#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 4.84 -0.08 0.53 1.01 -1.26 -4.04 121.20 122.20 3kjk s ILE 3 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.66 3kjk s ILE 3 Cb 0.00 -3.17 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 3kjk s ILE 3 CO 0.00 0.48 -0.16 -0.13 0.00 0.00 0.00 174.94 175.12 3kjk s ARG 4 N 0.22 2.79 -0.11 2.79 0.52 0.56 -4.96 118.95 120.75 3kjk s ARG 4 Ca 0.04 -0.74 0.01 0.00 -0.52 0.00 0.00 55.73 54.52 3kjk s ARG 4 Cb -0.12 -2.41 -0.02 0.00 0.52 0.00 0.00 34.95 32.92 3kjk s ARG 4 CO 0.00 0.44 -0.13 0.71 0.02 0.00 0.00 175.30 176.34 3kjk s TYR 5 N -0.26 2.79 -0.05 -0.53 2.02 -1.26 -0.06 117.35 120.00 3kjk s TYR 5 Ca 0.01 -0.52 0.06 0.00 -0.37 0.00 0.00 57.07 56.25 3kjk s TYR 5 Cb -0.13 -1.80 -0.01 0.00 -0.40 0.00 0.00 41.96 39.62 3kjk s TYR 5 CO 0.03 -0.11 -0.23 -0.06 -1.57 0.00 0.00 175.55 173.60 3kjk s PHE 6 N 0.09 2.23 -1.23 2.71 0.08 0.11 -4.78 117.98 117.19 3kjk s PHE 6 Ca -0.06 -0.61 -0.03 0.00 0.12 0.00 0.00 56.93 56.36 3kjk s PHE 6 Cb -0.15 -1.46 -0.01 0.00 -0.57 0.00 0.00 43.02 40.83 3kjk s PHE 6 CO 0.04 -0.17 0.80 0.41 -0.10 0.00 0.00 175.22 176.21 3kjk n GLY 7 N 2.89 -0.50 3.69 4.36 0.00 -1.26 -1.32 105.19 113.05 3kjk n GLY 7 Ca -0.17 0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.55 4.79 0.48 2.61 2.01 -1.26 -2.56 115.64 118.16 3kjk s THR 8 Ca 0.11 2.03 0.06 0.00 0.31 0.00 0.00 61.69 64.20 3kjk s THR 8 Cb -0.03 -4.31 -0.01 0.00 0.01 0.00 0.00 72.50 68.16 3kjk s THR 8 CO 0.79 0.02 0.24 0.42 -0.69 0.00 0.00 174.62 175.40 3kjk s THR 9 N 1.93 1.91 0.20 -0.82 -4.23 0.49 -4.98 115.64 110.14 3kjk s THR 9 Ca 0.48 -1.65 0.34 0.00 -1.18 0.00 0.00 61.69 59.68 3kjk s THR 9 Cb -0.18 -2.56 0.35 0.00 1.34 0.00 0.00 72.50 71.45 3kjk s THR 9 CO 0.18 0.00 2.04 -0.65 -0.54 0.00 0.00 174.62 175.65 3kjk h PRO 10 N 1.14 0.00 0.00 3.99 0.11 -2.05 -3.25 132.00 131.94 3kjk h PRO 10 Ca -0.41 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.38 3kjk h PRO 10 Cb 1.28 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.33 3kjk h PRO 10 CO 0.65 0.00 -2.21 -2.13 -0.21 0.00 0.00 178.00 174.11 3kjk n ARG 11 N -2.75 0.75 -3.44 1.05 0.63 -1.26 -5.08 116.66 106.56 3kjk n ARG 11 Ca -0.01 0.09 -0.12 0.00 -0.92 0.00 0.00 57.85 56.88 3kjk n ARG 11 Cb 0.11 -1.43 -0.02 0.00 0.45 0.00 0.00 32.46 31.57 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 -2.42 -0.52 -0.12 -0.14 -0.85 -1.23 -5.15 117.35 106.92 3kjk s TYR 12 Ca -0.23 0.35 -0.05 0.00 -0.52 0.00 0.00 57.07 56.61 3kjk s TYR 12 Cb 0.07 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.92 3kjk s TYR 12 CO 0.55 -0.80 0.08 -1.12 -1.52 0.00 0.00 175.55 172.75 3kjk s SER 13 N -2.65 5.88 0.27 -0.18 0.01 -1.26 -0.38 113.70 115.39 3kjk s SER 13 Ca 0.01 0.30 -0.00 0.00 1.31 0.00 0.00 55.95 57.56 3kjk s SER 13 Cb -0.01 -1.84 0.49 0.00 0.21 0.00 0.00 66.02 64.86 3kjk s SER 13 CO -0.12 0.36 1.85 -0.33 0.41 0.00 0.00 173.24 175.42 3kjk h GLU 14 N 5.32 1.04 -3.10 12.44 4.39 -0.92 -3.38 114.58 130.37 3kjk h GLU 14 Ca -0.51 -0.06 -0.16 0.00 0.34 0.00 0.00 59.36 58.97 3kjk h GLU 14 Cb 1.21 -0.23 -0.25 0.00 -0.10 0.00 0.00 28.75 29.37 3kjk h GLU 14 CO 0.59 0.69 -0.40 0.00 -1.16 0.00 0.00 179.01 178.72 3kjk s ALA 15 N -5.99 -0.65 -0.06 3.43 0.00 -0.87 -0.43 121.76 117.19 3kjk s ALA 15 Ca -0.12 0.72 0.04 0.00 0.00 0.00 0.00 51.96 52.60 3kjk s ALA 15 Cb 0.21 -0.41 -0.00 0.00 0.00 0.00 0.00 23.12 22.92 3kjk s ALA 15 CO 0.81 -0.13 -0.18 0.08 0.00 0.00 0.00 175.76 176.34 3kjk s VAL 16 N 0.08 1.57 -0.04 0.00 1.01 0.00 0.06 120.40 123.08 3kjk s VAL 16 Ca -0.01 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.26 3kjk s VAL 16 Cb -0.02 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 3kjk s VAL 16 CO 0.00 0.45 -0.21 -0.83 0.00 0.00 0.00 175.10 174.51 3kjk s GLY 17 N 0.16 1.38 -0.25 4.51 0.00 0.91 -0.67 107.32 113.37 3kjk s GLY 17 Ca -0.08 -1.05 -0.13 0.00 0.00 0.00 0.00 44.72 43.46 3kjk s GLY 17 CO 0.04 -0.83 0.59 0.00 0.00 0.00 0.00 173.10 172.90 3kjk s ALA 18 N -0.61 -1.65 -1.02 3.20 0.00 -0.41 -0.32 121.76 120.95 3kjk s ALA 18 Ca 0.09 2.13 -0.29 0.00 0.00 0.00 0.00 51.96 53.89 3kjk s ALA 18 Cb -0.11 -1.36 0.04 0.00 0.00 0.00 0.00 23.12 21.70 3kjk s ALA 18 CO 0.00 -0.47 0.55 -1.71 0.00 0.00 0.00 175.76 174.13 3kjk n ASN 19 N 4.57 -3.31 0.00 0.00 5.15 -1.26 -0.56 115.26 119.86 3kjk n ASN 19 Ca -0.19 -1.09 0.00 0.00 -0.60 0.00 0.00 54.58 52.70 3kjk n ASN 19 Cb 0.56 -1.31 0.00 0.00 -0.53 0.00 0.00 39.78 38.50 3kjk n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kjk n GLY 20 N -1.93 2.25 3.84 8.20 0.00 -1.26 -4.98 105.19 111.32 3kjk n GLY 20 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 3.94 -0.06 0.99 1.43 0.27 -0.14 118.68 125.12 3kjk s LEU 21 Ca 0.00 1.40 -0.01 0.00 -1.03 0.00 0.00 54.13 54.49 3kjk s LEU 21 Cb 0.00 -4.24 0.03 0.00 0.03 0.00 0.00 46.19 42.00 3kjk s LEU 21 CO 0.00 -0.33 0.01 -0.63 0.23 0.00 0.00 176.35 175.64 3kjk s ILE 22 N -2.18 0.24 -0.23 -0.59 1.01 0.40 -1.29 121.20 118.56 3kjk s ILE 22 Ca 0.56 0.18 -0.04 0.00 0.00 0.00 0.00 60.65 61.35 3kjk s ILE 22 Cb -0.10 -0.41 -0.00 0.00 0.01 0.00 0.00 42.46 41.96 3kjk s ILE 22 CO 0.20 0.22 -0.03 -0.36 0.00 0.00 0.00 174.94 174.98 3kjk s PHE 23 N 1.83 3.00 0.12 3.97 0.08 0.16 -0.45 117.98 126.70 3kjk s PHE 23 Ca 0.02 -1.00 -0.10 0.00 0.12 0.00 0.00 56.93 55.96 3kjk s PHE 23 Cb -0.12 -2.12 -0.06 0.00 -0.57 0.00 0.00 43.02 40.14 3kjk s PHE 23 CO -0.04 -0.57 0.45 -0.51 -0.10 0.00 0.00 175.22 174.46 3kjk s LEU 24 N 1.47 4.31 0.89 -0.37 1.02 -0.46 -0.82 118.68 124.72 3kjk s LEU 24 Ca 0.05 0.85 -0.10 0.00 0.02 0.00 0.00 54.13 54.95 3kjk s LEU 24 Cb -0.15 -3.19 0.13 0.00 0.02 0.00 0.00 46.19 43.00 3kjk s LEU 24 CO -0.02 0.11 1.13 -0.44 0.02 0.00 0.00 176.35 177.14 3kjk s SER 25 N -1.91 3.23 0.26 2.29 0.01 0.43 -4.21 113.70 113.80 3kjk s SER 25 Ca 0.37 2.07 0.00 0.00 1.31 0.00 0.00 55.95 59.70 3kjk s SER 25 Cb -0.14 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.55 3kjk s SER 25 CO 0.19 -2.89 0.00 0.61 0.41 0.00 0.00 173.24 171.57 3kjk n GLY 26 N -0.13 -2.50 0.00 3.44 0.00 -1.26 -4.54 105.19 100.20 3kjk n GLY 26 Ca 0.11 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.29 3kjk n GLY 26 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3kjk n VAL 28 N -1.44 0.00 -2.07 1.61 3.14 -1.26 -4.91 118.33 113.40 3kjk n VAL 28 Ca 0.00 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.97 3kjk n VAL 28 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 3kjk n VAL 28 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 3kjk s PRO 29 N -1.74 4.31 -0.01 1.45 0.02 -1.26 -4.81 135.00 132.96 3kjk s PRO 29 Ca 0.00 2.24 0.10 0.00 0.02 0.00 0.00 61.00 63.36 3kjk s PRO 29 Cb 0.00 -3.11 -0.14 0.00 0.02 0.00 0.00 34.50 31.26 3kjk s PRO 29 CO 0.00 -0.33 0.26 0.39 -0.33 0.00 0.00 177.00 176.99 3kjk n GLU 30 N 1.93 1.05 -4.05 5.54 1.02 -1.26 -5.02 120.64 119.84 3kjk n GLU 30 Ca 0.05 -0.07 -0.08 0.00 -0.02 0.00 0.00 57.16 57.04 3kjk n GLU 30 Cb 0.41 -1.18 -0.10 0.00 -0.02 0.00 0.00 31.44 30.55 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 -2.89 0.41 0.00 1.62 0.01 -1.26 -5.14 114.94 107.69 3kjk s ASN 31 Ca -0.02 -0.88 0.00 0.00 -0.71 0.00 0.00 52.86 51.25 3kjk s ASN 31 Cb 0.07 0.19 0.00 0.00 0.41 0.00 0.00 41.25 41.92 3kjk s ASN 31 CO 0.41 -0.55 0.00 0.61 -1.51 0.00 0.00 177.10 176.06 3kjk n GLY 32 N 0.38 1.12 0.43 0.66 0.00 -1.26 -4.23 105.19 102.30 3kjk n GLY 32 Ca -0.16 -1.77 -0.01 0.00 0.00 0.00 0.00 46.02 44.09 3kjk n GLY 32 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kjk n GLU 33 N 1.11 0.02 -1.85 1.61 1.02 -1.26 -4.77 120.64 116.52 3kjk n GLU 33 Ca 0.00 0.01 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 3kjk n GLU 33 Cb 0.00 -0.80 0.04 0.00 -0.02 0.00 0.00 31.44 30.66 3kjk n GLU 33 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3kjk s THR 34 N -2.01 3.87 0.34 2.62 -4.23 -1.26 -4.88 115.64 110.08 3kjk s THR 34 Ca -0.01 0.61 0.04 0.00 -1.18 0.00 0.00 61.69 61.15 3kjk s THR 34 Cb 0.00 -3.58 0.29 0.00 1.34 0.00 0.00 72.50 70.56 3kjk s THR 34 CO 0.01 -0.80 1.93 0.00 -0.54 0.00 0.00 174.62 175.23 3kjk h ALA 35 N -0.57 1.64 -0.23 3.99 0.00 -1.95 -1.58 119.26 120.55 3kjk h ALA 35 Ca -0.45 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.31 3kjk h ALA 35 Cb 1.23 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3kjk h ALA 35 CO 0.63 0.22 -0.39 0.00 0.00 0.00 0.00 179.25 179.71 3kjk h ALA 36 N 1.56 0.35 -0.63 0.00 0.00 -1.93 -0.71 119.26 117.90 3kjk h ALA 36 Ca 0.36 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3kjk h ALA 36 Cb 0.29 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3kjk h ALA 36 CO -0.13 0.45 0.15 0.93 0.00 0.00 0.00 179.25 180.64 3kjk h GLU 37 N 0.37 1.01 0.00 0.00 5.08 -1.87 -2.18 114.58 116.99 3kjk h GLU 37 Ca 0.02 -0.25 -0.18 0.00 -1.00 0.00 0.00 59.36 57.95 3kjk h GLU 37 Cb 0.98 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 3kjk h GLU 37 CO 0.09 0.92 -0.84 1.96 -1.00 0.00 0.00 179.01 180.13 3kjk h GLN 38 N 0.93 0.11 -0.40 2.33 4.20 -1.26 -2.02 115.11 118.99 3kjk h GLN 38 Ca 0.20 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.72 3kjk h GLN 38 Cb 0.36 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3kjk h GLN 38 CO 0.00 0.89 -0.03 1.15 -0.67 0.00 0.00 178.83 180.17 3kjk h THR 39 N 0.06 1.27 -0.86 -0.54 2.02 -1.08 -1.02 112.91 112.76 3kjk h THR 39 Ca -0.03 -1.06 0.03 0.00 0.77 0.00 0.00 66.41 66.12 3kjk h THR 39 Cb 1.47 1.15 -0.05 0.00 -1.74 0.00 0.00 68.15 68.97 3kjk h THR 39 CO 0.12 0.36 0.55 0.00 0.37 0.00 0.00 175.52 176.92 3kjk h ALA 40 N 0.87 1.12 -0.31 6.16 0.00 -1.29 -0.63 119.26 125.18 3kjk h ALA 40 Ca 0.11 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3kjk h ALA 40 Cb 0.52 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3kjk h ALA 40 CO 0.03 0.41 0.01 0.22 0.00 0.00 0.00 179.25 179.91 3kjk h ASP 41 N 1.09 0.53 -0.15 0.00 3.58 -1.16 -2.17 116.42 118.14 3kjk h ASP 41 Ca 0.34 -0.30 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 3kjk h ASP 41 Cb -0.01 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 3kjk h ASP 41 CO -0.11 0.70 0.07 0.58 -2.88 0.00 0.00 179.24 177.61 3kjk h VAL 42 N 0.35 1.13 -0.01 2.25 2.07 -0.89 -1.99 116.25 119.16 3kjk h VAL 42 Ca 0.09 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 3kjk h VAL 42 Cb 0.42 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3kjk h VAL 42 CO 0.01 0.12 -0.16 -0.07 0.02 0.00 0.00 177.57 177.49 3kjk h LEU 43 N 0.11 0.01 -0.61 2.57 3.38 -1.14 -1.08 115.31 118.55 3kjk h LEU 43 Ca 0.05 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 3kjk h LEU 43 Cb 0.12 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3kjk h LEU 43 CO -0.01 0.18 -0.17 0.00 0.09 0.00 0.00 178.44 178.53 3kjk h ALA 44 N 1.82 0.80 -0.27 1.53 0.00 -1.09 -1.04 119.26 121.02 3kjk h ALA 44 Ca 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 3kjk h ALA 44 Cb 0.30 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3kjk h ALA 44 CO 0.02 0.65 0.07 1.96 0.00 0.00 0.00 179.25 181.96 3kjk h GLN 45 N 0.81 0.43 -0.66 0.00 4.20 -0.59 -2.34 115.11 116.97 3kjk h GLN 45 Ca 0.12 -0.10 0.10 0.00 0.06 0.00 0.00 58.65 58.82 3kjk h GLN 45 Cb 0.72 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.37 3kjk h GLN 45 CO 0.06 0.52 0.28 0.82 -0.67 0.00 0.00 178.83 179.83 3kjk h ILE 46 N 0.27 0.79 -0.99 2.54 2.04 -1.13 -0.76 117.51 120.28 3kjk h ILE 46 Ca 0.09 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.83 3kjk h ILE 46 Cb 0.27 0.26 -0.06 0.00 -0.74 0.00 0.00 36.82 36.56 3kjk h ILE 46 CO -0.00 0.09 0.64 0.44 0.00 0.00 0.00 178.15 179.32 3kjk h ASP 47 N 0.49 1.05 -0.16 1.72 3.32 -0.94 -0.35 116.42 121.54 3kjk h ASP 47 Ca 0.33 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.29 3kjk h ASP 47 Cb 0.39 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 3kjk h ASP 47 CO -0.30 0.70 -0.25 -0.09 -1.72 0.00 0.00 179.24 177.58 3kjk h ARG 48 N 1.20 0.45 -0.39 3.56 1.12 -0.73 -2.31 114.38 117.28 3kjk h ARG 48 Ca 0.41 -0.27 -0.13 0.00 -1.11 0.00 0.00 59.98 58.87 3kjk h ARG 48 Cb 0.08 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.06 3kjk h ARG 48 CO -0.14 0.87 -0.28 -1.49 -3.11 0.00 0.00 179.97 175.82 3kjk h TRP 49 N 0.08 0.97 -0.62 2.20 4.06 -0.91 -1.46 115.95 120.27 3kjk h TRP 49 Ca 0.01 -0.25 0.03 0.00 2.06 0.00 0.00 58.89 60.75 3kjk h TRP 49 Cb 0.83 -0.22 -0.04 0.00 -1.00 0.00 0.00 29.16 28.73 3kjk h TRP 49 CO 0.09 1.02 0.37 -0.07 -3.56 0.00 0.00 178.44 176.30 3kjk h LEU 50 N 0.72 0.60 -0.88 -4.49 3.38 -1.09 -1.62 115.31 111.93 3kjk h LEU 50 Ca 0.08 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3kjk h LEU 50 Cb 0.83 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 3kjk h LEU 50 CO 0.07 0.41 0.22 0.00 0.09 0.00 0.00 178.44 179.24 3kjk h ALA 51 N 1.28 1.10 -0.82 1.53 0.00 -1.13 0.65 119.26 121.87 3kjk h ALA 51 Ca 0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3kjk h ALA 51 Cb 0.05 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3kjk h ALA 51 CO -0.12 0.62 0.44 0.93 0.00 0.00 0.00 179.25 181.13 3kjk h GLU 52 N 1.01 1.14 -0.40 0.00 4.39 -0.95 -2.97 114.58 116.80 3kjk h GLU 52 Ca 0.22 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.79 3kjk h GLU 52 Cb 0.27 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3kjk h GLU 52 CO -0.01 0.83 0.00 0.00 -1.16 0.00 0.00 179.01 178.68 3kjk n GLY 54 N 1.10 -0.02 1.03 0.00 0.00 -0.96 -4.75 105.19 101.58 3kjk n GLY 54 Ca 0.13 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.65 1.12 -3.32 1.61 2.88 0.22 -2.02 113.62 113.47 3kjk n SER 55 Ca -0.08 -1.67 -0.07 0.00 -1.33 0.00 0.00 58.87 55.73 3kjk n SER 55 Cb 0.57 0.30 0.01 0.00 -0.75 0.00 0.00 64.21 64.34 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 -1.77 -0.08 0.60 -3.46 1.47 -1.26 -3.40 116.67 108.76 3kjk s ASP 56 Ca 0.06 -0.86 0.35 0.00 1.18 0.00 0.00 52.55 53.28 3kjk s ASP 56 Cb 0.00 0.73 1.90 0.00 -0.34 0.00 0.00 42.92 45.21 3kjk s ASP 56 CO 0.04 -1.41 2.23 0.07 0.68 0.00 0.00 175.17 176.77 3kjk h LYS 57 N 2.00 0.00 -0.01 2.11 2.10 -1.94 -0.33 116.57 120.49 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 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3kjk h LYS 57 CO 0.34 0.03 0.00 0.00 -2.00 0.00 0.00 179.45 177.82 3kjk n ALA 58 N -2.21 2.64 -1.70 0.07 0.00 -1.26 -3.49 120.51 114.56 3kjk n ALA 58 Ca -0.02 -0.21 0.06 0.00 0.00 0.00 0.00 53.44 53.26 3kjk n ALA 58 Cb 0.14 -1.37 0.11 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.72 0.00 -3.11 0.00 8.25 -0.14 -4.98 115.22 114.53 3kjk n HIS 59 Ca 0.19 -0.88 -0.39 0.00 -0.26 0.00 0.00 57.72 56.38 3kjk n HIS 59 Cb 0.13 -0.16 -0.05 0.00 1.12 0.00 0.00 29.99 31.02 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 -1.90 4.99 -0.16 1.59 1.01 -1.23 -1.48 120.40 123.22 3kjk s VAL 60 Ca 0.29 1.37 -0.03 0.00 0.00 0.00 0.00 61.98 63.60 3kjk s VAL 60 Cb 0.28 -4.00 -0.23 0.00 0.00 0.00 0.00 36.38 32.43 3kjk s VAL 60 CO -0.05 0.32 0.18 0.18 0.00 0.00 0.00 175.10 175.73 3kjk n LEU 61 N 3.38 2.67 -3.78 3.92 4.77 0.42 -4.35 117.00 124.04 3kjk n LEU 61 Ca -0.03 0.10 -0.13 0.00 -0.03 0.00 0.00 56.01 55.92 3kjk n LEU 61 Cb 0.51 -1.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.49 3kjk n LEU 61 CO 0.46 0.87 -0.04 -0.62 -1.33 0.00 0.00 177.39 176.72 3kjk s ASP 62 N -6.83 -0.25 -0.10 -1.43 2.15 -0.75 -1.01 116.67 108.45 3kjk s ASP 62 Ca -0.26 0.40 -0.05 0.00 0.43 0.00 0.00 52.55 53.08 3kjk s ASP 62 Cb 0.07 0.50 0.05 0.00 -0.30 0.00 0.00 42.92 43.24 3kjk s ASP 62 CO 0.72 -0.20 0.23 0.00 -0.17 0.00 0.00 175.17 175.75 3kjk s ALA 63 N -0.31 -0.49 -0.21 3.66 0.00 -0.21 -1.25 121.76 122.94 3kjk s ALA 63 Ca -0.04 0.92 -0.06 0.00 0.00 0.00 0.00 51.96 52.77 3kjk s ALA 63 Cb -0.03 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 3kjk s ALA 63 CO 0.01 -0.32 0.03 0.08 0.00 0.00 0.00 175.76 175.56 3kjk s VAL 64 N 1.58 4.11 -0.29 0.00 1.01 -0.41 -1.65 120.40 124.75 3kjk s VAL 64 Ca -0.06 -0.25 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 3kjk s VAL 64 Cb -0.11 -2.88 0.02 0.00 0.00 0.00 0.00 36.38 33.41 3kjk s VAL 64 CO -0.08 0.40 0.05 -0.63 0.00 0.00 0.00 175.10 174.84 3kjk s ILE 65 N 1.15 3.58 -0.20 2.22 1.01 0.72 -0.58 121.20 129.10 3kjk s ILE 65 Ca 0.03 -0.93 -0.17 0.00 0.00 0.00 0.00 60.65 59.58 3kjk s ILE 65 Cb -0.14 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 3kjk s ILE 65 CO 0.02 0.03 0.47 -0.31 0.00 0.00 0.00 174.94 175.15 3kjk s TYR 66 N 1.41 3.37 -0.12 3.97 2.02 0.84 -1.85 117.35 126.99 3kjk s TYR 66 Ca 0.00 0.70 -0.02 0.00 -0.37 0.00 0.00 57.07 57.39 3kjk s TYR 66 Cb -0.18 -2.61 -0.03 0.00 -0.40 0.00 0.00 41.96 38.74 3kjk s TYR 66 CO 0.01 -0.06 -0.04 -0.51 -1.57 0.00 0.00 175.55 173.37 3kjk s LEU 67 N 1.50 3.26 0.22 -1.29 1.43 -0.20 -1.06 118.68 122.54 3kjk s LEU 67 Ca 0.22 -0.06 -0.09 0.00 -1.03 0.00 0.00 54.13 53.17 3kjk s LEU 67 Cb -0.15 -1.76 0.24 0.00 0.03 0.00 0.00 46.19 44.55 3kjk s LEU 67 CO 0.09 0.26 1.84 -0.09 0.23 0.00 0.00 176.35 178.67 3kjk h ARG 68 N 6.03 0.80 0.00 1.70 2.43 -1.35 0.12 114.38 124.11 3kjk h ARG 68 Ca -0.39 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3kjk h ARG 68 Cb 1.19 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 3kjk h ARG 68 CO 0.58 0.53 0.00 -3.47 -1.51 0.00 0.00 179.97 176.10 3kjk n ASP 69 N -4.69 0.22 0.00 -3.80 4.64 -1.26 -4.49 116.55 107.17 3kjk n ASP 69 Ca 0.09 -0.57 0.00 0.00 -1.38 0.00 0.00 54.79 52.93 3kjk n ASP 69 Cb 0.14 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.22 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 0.56 0.00 0.85 0.27 0.00 -1.26 -4.40 105.19 101.22 3kjk n GLY 71 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 2.45 0.36 1.61 8.00 -1.26 -4.61 116.55 123.10 3kjk n ASP 72 Ca 0.00 -2.13 -0.18 0.00 0.71 0.00 0.00 54.79 53.19 3kjk n ASP 72 Cb 0.00 -0.35 -0.09 0.00 -0.02 0.00 0.00 41.12 40.66 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 2.21 -0.83 -0.53 1.24 3.20 -2.01 -3.14 116.97 117.11 3kjk h TYR 73 Ca 0.00 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.88 3kjk h TYR 73 Cb 0.72 0.27 -0.04 0.00 1.54 0.00 0.00 36.73 39.23 3kjk h TYR 73 CO 0.34 -0.51 0.30 0.00 -1.64 0.00 0.00 178.16 176.66 3kjk h ALA 74 N -0.60 0.68 0.00 1.82 0.00 -1.99 -0.36 119.26 118.81 3kjk h ALA 74 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3kjk h ALA 74 Cb 0.70 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3kjk h ALA 74 CO 0.15 -0.01 0.00 -1.91 0.00 0.00 0.00 179.25 177.48 3kjk n GLU 75 N -4.82 0.20 0.00 0.00 2.13 -1.19 -1.07 120.64 115.89 3kjk n GLU 75 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 3kjk n GLU 75 Cb 0.10 -1.19 0.00 0.00 0.27 0.00 0.00 31.44 30.62 3kjk n GLU 75 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3kjk n ASN 77 N 0.55 0.00 -0.25 4.31 3.02 -0.15 -3.67 115.26 119.07 3kjk n ASN 77 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.56 3kjk n ASN 77 Cb 0.06 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.37 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 1.10 1.04 7.41 0.00 -1.37 0.14 103.07 111.40 3kjk h GLY 78 Ca 0.00 -0.25 -0.27 0.00 0.00 0.00 0.00 47.33 46.81 3kjk h GLY 78 CO 0.00 0.10 -1.18 -2.08 0.00 0.00 0.00 176.54 173.38 3kjk h VAL 79 N 0.67 1.37 -0.26 4.60 2.07 -1.85 -3.14 116.25 119.70 3kjk h VAL 79 Ca 0.35 -2.57 0.03 0.00 0.82 0.00 0.00 66.70 65.33 3kjk h VAL 79 Cb 0.33 3.02 -0.03 0.00 -1.52 0.00 0.00 31.29 33.08 3kjk h VAL 79 CO -0.25 0.76 0.06 -0.25 0.02 0.00 0.00 177.57 177.91 3kjk h TRP 80 N -0.02 0.11 -0.49 1.57 2.91 -1.85 -2.34 115.95 115.83 3kjk h TRP 80 Ca -0.20 0.02 0.04 0.00 1.13 0.00 0.00 58.89 59.87 3kjk h TRP 80 Cb 1.91 -0.01 -0.03 0.00 -0.51 0.00 0.00 29.16 30.53 3kjk h TRP 80 CO 0.15 0.03 0.33 -0.44 -1.03 0.00 0.00 178.44 177.48 3kjk h ASP 81 N 0.17 0.46 1.38 2.65 5.19 -0.82 -1.64 116.42 123.79 3kjk h ASP 81 Ca 0.12 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 3kjk h ASP 81 Cb 0.11 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.52 3kjk h ASP 81 CO -0.15 0.31 -0.10 0.00 -3.12 0.00 0.00 179.24 176.18 3kjk n ALA 82 N -2.49 2.39 -0.07 3.45 0.00 -0.99 -3.97 120.51 118.83 3kjk n ALA 82 Ca 0.06 -0.06 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 3kjk n ALA 82 Cb 0.16 -1.42 -0.12 0.00 0.00 0.00 0.00 19.45 18.06 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 -2.23 0.74 -1.68 0.00 -0.00 -0.78 -4.98 117.44 108.51 3kjk n TRP 83 Ca 0.05 0.20 -0.40 0.00 -0.00 0.00 0.00 57.50 57.35 3kjk n TRP 83 Cb 0.43 -1.09 0.02 0.00 -0.00 0.00 0.00 31.31 30.67 3kjk n TRP 83 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 177.69 179.24 3kjk n VAL 84 N -3.72 2.95 -2.73 5.87 3.14 -0.69 -4.93 118.33 118.23 3kjk n VAL 84 Ca -0.38 -0.50 -0.43 0.00 -2.96 0.00 0.00 64.34 60.07 3kjk n VAL 84 Cb 0.94 -1.47 -0.03 0.00 -1.06 0.00 0.00 33.84 32.22 3kjk n VAL 84 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3kjk s ALA 85 N -1.27 3.61 0.20 1.55 0.00 -1.26 -4.98 121.76 119.60 3kjk s ALA 85 Ca 0.65 -0.02 -0.33 0.00 0.00 0.00 0.00 51.96 52.27 3kjk s ALA 85 Cb -0.48 -3.51 -0.14 0.00 0.00 0.00 0.00 23.12 19.00 3kjk s ALA 85 CO 0.55 -1.17 1.52 0.00 0.00 0.00 0.00 175.76 176.65 3kjk n ALA 86 N 6.40 1.35 -0.28 0.00 0.00 -1.26 -0.95 120.51 125.77 3kjk n ALA 86 Ca 0.10 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.97 3kjk n ALA 86 Cb 0.47 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.59 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 2.87 2.31 2.61 0.00 0.00 -1.26 -4.84 105.19 106.88 3kjk n GLY 87 Ca 0.14 0.00 -0.11 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 1.96 -2.88 1.61 1.74 -0.13 -5.10 116.66 111.86 3kjk n ARG 88 Ca 0.00 -3.63 -0.40 0.00 -0.77 0.00 0.00 57.85 53.05 3kjk n ARG 88 Cb 0.00 -1.63 -0.06 0.00 -1.02 0.00 0.00 32.46 29.75 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 -3.88 4.27 0.76 0.55 -4.23 -1.22 -4.56 115.64 107.33 3kjk s THR 89 Ca 0.33 1.87 -0.10 0.00 -1.18 0.00 0.00 61.69 62.61 3kjk s THR 89 Cb 0.40 -4.22 0.06 0.00 1.34 0.00 0.00 72.50 70.08 3kjk s THR 89 CO -0.02 0.50 1.12 -2.16 -0.54 0.00 0.00 174.62 173.52 3kjk s PRO 90 N -1.07 2.19 0.42 3.99 0.04 -1.26 -5.02 135.00 134.28 3kjk s PRO 90 Ca 0.38 0.08 -0.26 0.00 0.04 0.00 0.00 61.00 61.24 3kjk s PRO 90 Cb -0.24 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 3kjk s PRO 90 CO 0.29 -1.40 1.36 0.00 0.04 0.00 0.00 177.00 177.29 3kjk s ALA 91 N -3.45 3.28 0.00 8.56 0.00 -0.18 -4.90 121.76 125.07 3kjk s ALA 91 Ca 0.61 1.33 -0.03 0.00 0.00 0.00 0.00 51.96 53.88 3kjk s ALA 91 Cb -0.11 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.47 3kjk s ALA 91 CO 0.48 -0.96 0.04 0.50 0.00 0.00 0.00 175.76 175.82 3kjk s ARG 92 N -2.29 0.28 -0.00 0.00 3.52 -1.26 -1.04 118.95 118.15 3kjk s ARG 92 Ca 0.58 -0.34 -0.02 0.00 -0.13 0.00 0.00 55.73 55.82 3kjk s ARG 92 Cb -0.41 0.11 -0.00 0.00 -1.56 0.00 0.00 34.95 33.09 3kjk s ARG 92 CO 0.52 -0.05 0.04 0.00 -0.81 0.00 0.00 175.30 175.00 3kjk s ALA 93 N -0.97 -0.09 -0.06 6.12 0.00 -0.66 -4.98 121.76 121.11 3kjk s ALA 93 Ca -0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 51.96 51.71 3kjk s ALA 93 Cb -0.06 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.10 3kjk s ALA 93 CO 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 175.76 175.66 3kjk s VAL 95 N 1.70 0.40 -0.24 0.00 -7.23 -0.77 -4.99 120.40 109.27 3kjk s VAL 95 Ca 0.01 -1.87 -0.16 0.00 -1.81 0.00 0.00 61.98 58.15 3kjk s VAL 95 Cb -0.13 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.14 3kjk s VAL 95 CO -0.04 -0.90 0.41 -0.70 -0.31 0.00 0.00 175.10 173.56 3kjk s GLU 96 N -3.90 4.10 -0.21 4.82 2.12 -1.26 -1.03 118.70 123.33 3kjk s GLU 96 Ca 0.10 0.16 -0.14 0.00 0.36 0.00 0.00 54.97 55.46 3kjk s GLU 96 Cb 0.07 -3.60 0.06 0.00 0.26 0.00 0.00 34.13 30.92 3kjk s GLU 96 CO -0.07 -0.18 0.54 0.00 -0.54 0.00 0.00 175.26 175.01 3kjk s ALA 97 N 1.77 -1.39 0.50 6.30 0.00 0.40 -4.91 121.76 124.43 3kjk s ALA 97 Ca 0.18 1.82 -0.20 0.00 0.00 0.00 0.00 51.96 53.76 3kjk s ALA 97 Cb -0.15 -1.08 -0.07 0.00 0.00 0.00 0.00 23.12 21.81 3kjk s ALA 97 CO 0.09 -0.30 1.09 1.03 0.00 0.00 0.00 175.76 177.67 3kjk s ARG 98 N 1.19 3.62 0.57 0.00 0.52 -1.26 -3.34 118.95 120.25 3kjk s ARG 98 Ca -0.07 1.52 0.08 0.00 -0.52 0.00 0.00 55.73 56.74 3kjk s ARG 98 Cb -0.06 -2.11 0.07 0.00 0.52 0.00 0.00 34.95 33.37 3kjk s ARG 98 CO -0.12 -0.61 0.63 -0.51 0.02 0.00 0.00 175.30 174.71 3kjk s LEU 99 N -3.53 2.85 0.56 2.53 1.43 -1.26 -5.00 118.68 116.26 3kjk s LEU 99 Ca 0.69 -1.08 0.23 0.00 -1.03 0.00 0.00 54.13 52.94 3kjk s LEU 99 Cb -0.21 -1.33 1.55 0.00 0.03 0.00 0.00 46.19 46.22 3kjk s LEU 99 CO 0.25 -1.29 2.18 0.00 0.23 0.00 0.00 176.35 177.73 3kjk h ALA 100 N 0.40 1.81 -4.08 4.21 0.00 -1.96 -3.41 119.26 116.22 3kjk h ALA 100 Ca -0.32 -0.00 -0.67 0.00 0.00 0.00 0.00 54.91 53.91 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 0.48 -0.06 -0.87 1.03 0.00 0.00 0.00 179.25 179.83 3kjk s ARG 101 N -4.84 1.56 0.44 0.00 0.52 -1.26 -5.05 118.95 110.32 3kjk s ARG 101 Ca -0.05 -1.19 0.23 0.00 -0.52 0.00 0.00 55.73 54.20 3kjk s ARG 101 Cb 0.16 -1.86 0.99 0.00 0.52 0.00 0.00 34.95 34.76 3kjk s ARG 101 CO 0.61 0.46 1.86 -1.35 0.02 0.00 0.00 175.30 176.91 3kjk h PRO 102 N 4.40 0.00 0.00 3.54 0.11 -2.02 -2.79 132.00 135.23 3kjk h PRO 102 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kjk h PRO 102 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3kjk h PRO 102 CO 0.42 0.24 0.00 0.93 -0.21 0.00 0.00 178.00 179.37 3kjk h GLU 103 N 0.00 0.00 -6.19 1.05 3.07 -1.96 -3.44 114.58 107.11 3kjk h GLU 103 Ca -0.00 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.29 3kjk h GLU 103 Cb 0.68 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.55 3kjk h GLU 103 CO 0.03 0.00 0.73 -1.58 -1.40 0.00 0.00 179.01 176.79 3kjk s TRP 104 N -3.21 3.28 -0.55 4.33 0.51 -1.05 -4.91 118.94 117.34 3kjk s TRP 104 Ca 0.08 1.38 0.16 0.00 -2.12 0.00 0.00 56.10 55.60 3kjk s TRP 104 Cb 0.10 -3.31 -0.19 0.00 -0.81 0.00 0.00 33.47 29.26 3kjk s TRP 104 CO 0.57 -0.76 0.58 0.54 -0.51 0.00 0.00 176.95 177.37 3kjk n ARG 105 N 5.76 1.49 -3.65 4.98 1.74 -1.26 -4.60 116.66 121.11 3kjk n ARG 105 Ca 0.11 -0.04 -0.11 0.00 -0.77 0.00 0.00 57.85 57.04 3kjk n ARG 105 Cb 0.47 -1.28 -0.08 0.00 -1.02 0.00 0.00 32.46 30.55 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 -2.64 -0.00 -0.03 1.55 0.11 -1.26 -1.79 120.40 116.34 3kjk s VAL 106 Ca 0.03 0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.10 3kjk s VAL 106 Cb 0.11 -0.90 0.01 0.00 -1.53 0.00 0.00 36.38 34.07 3kjk s VAL 106 CO 0.65 0.00 -0.06 -0.70 -3.33 0.00 0.00 175.10 171.66 3kjk s GLU 107 N 0.86 0.72 -0.12 1.54 2.12 -0.22 -4.28 118.70 119.32 3kjk s GLU 107 Ca -0.04 -0.18 0.02 0.00 0.36 0.00 0.00 54.97 55.13 3kjk s GLU 107 Cb -0.05 -0.71 0.01 0.00 0.26 0.00 0.00 34.13 33.64 3kjk s GLU 107 CO -0.07 0.03 -0.18 0.42 -0.54 0.00 0.00 175.26 174.92 3kjk s ILE 108 N 0.39 1.71 -0.23 -3.70 1.01 -1.26 -0.12 121.20 119.00 3kjk s ILE 108 Ca -0.05 -0.78 -0.04 0.00 0.00 0.00 0.00 60.65 59.78 3kjk s ILE 108 Cb -0.09 -1.53 -0.00 0.00 0.01 0.00 0.00 42.46 40.84 3kjk s ILE 108 CO 0.00 0.48 -0.02 -0.75 0.00 0.00 0.00 174.94 174.65 3kjk s LYS 109 N 0.86 3.32 -0.07 2.79 2.20 0.25 -4.44 119.74 124.65 3kjk s LYS 109 Ca -0.08 -0.67 0.01 0.00 -0.36 0.00 0.00 55.97 54.87 3kjk s LYS 109 Cb -0.15 -3.07 -0.03 0.00 -1.51 0.00 0.00 37.83 33.06 3kjk s LYS 109 CO -0.01 -0.24 -0.07 0.42 -0.36 0.00 0.00 175.35 175.10 3kjk s ILE 110 N 1.48 3.71 -0.11 5.43 -1.09 -1.26 -1.28 121.20 128.08 3kjk s ILE 110 Ca 0.05 -0.47 0.03 0.00 -2.23 0.00 0.00 60.65 58.03 3kjk s ILE 110 Cb -0.15 -2.52 -0.00 0.00 -1.58 0.00 0.00 42.46 38.21 3kjk s ILE 110 CO -0.02 0.59 -0.23 -0.89 -1.23 0.00 0.00 174.94 173.16 3kjk s THR 111 N -0.73 2.16 0.30 2.92 2.01 -0.38 -1.36 115.64 120.55 3kjk s THR 111 Ca 0.11 -0.98 0.04 0.00 0.31 0.00 0.00 61.69 61.17 3kjk s THR 111 Cb -0.11 -1.83 -0.03 0.00 0.01 0.00 0.00 72.50 70.53 3kjk s THR 111 CO 0.02 0.56 0.20 0.00 -0.69 0.00 0.00 174.62 174.70 3kjk s ALA 112 N 0.39 1.82 0.07 7.40 0.00 0.41 -0.43 121.76 131.41 3kjk s ALA 112 Ca -0.17 -1.84 0.09 0.00 0.00 0.00 0.00 51.96 50.03 3kjk s ALA 112 Cb -0.18 1.31 -0.03 0.00 0.00 0.00 0.00 23.12 24.23 3kjk s ALA 112 CO 0.08 -0.58 -0.23 0.14 0.00 0.00 0.00 175.76 175.16 3kjk s VAL 113 N -3.63 1.90 0.33 0.00 -7.23 -0.55 -0.45 120.40 110.76 3kjk s VAL 113 Ca 0.38 -1.39 -0.28 0.00 -1.81 0.00 0.00 61.98 58.87 3kjk s VAL 113 Cb 0.04 -1.66 -0.10 0.00 0.56 0.00 0.00 36.38 35.23 3kjk s VAL 113 CO 0.20 0.19 1.23 -0.54 -0.31 0.00 0.00 175.10 175.88 3kjk s LYS 114 N -1.44 4.39 0.37 4.82 1.02 0.81 -4.64 119.74 125.07 3kjk s LYS 114 Ca 0.09 2.06 -0.27 0.00 0.02 0.00 0.00 55.97 57.87 3kjk s LYS 114 Cb -0.10 -3.05 -0.10 0.00 -0.52 0.00 0.00 37.83 34.07 3kjk s LYS 114 CO 0.03 -0.10 1.34 1.03 -0.92 0.00 0.00 175.35 176.73 3kjk s ARG 115 N -1.77 4.14 0.00 1.68 0.52 -0.85 -5.00 118.95 117.67 3kjk s ARG 115 Ca 0.49 2.27 0.29 0.00 -0.52 0.00 0.00 55.73 58.26 3kjk s ARG 115 Cb -0.37 -2.92 1.37 0.00 0.52 0.00 0.00 34.95 33.55 3kjk s ARG 115 CO 0.48 -0.39 1.92 -0.25 0.02 0.00 0.00 175.30 177.09