#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 5.26 -0.15 0.53 1.01 -1.26 -4.21 121.20 122.38 3kjk s ILE 3 Ca 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 60.65 60.74 3kjk s ILE 3 Cb 0.00 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.09 3kjk s ILE 3 CO 0.00 0.50 -0.03 -0.13 0.00 0.00 0.00 174.94 175.28 3kjk s ARG 4 N -0.08 3.64 -0.13 2.79 0.52 0.49 -4.96 118.95 121.22 3kjk s ARG 4 Ca 0.09 -0.51 -0.03 0.00 -0.52 0.00 0.00 55.73 54.76 3kjk s ARG 4 Cb -0.12 -2.91 -0.03 0.00 0.52 0.00 0.00 34.95 32.42 3kjk s ARG 4 CO 0.00 0.27 -0.03 0.71 0.02 0.00 0.00 175.30 176.27 3kjk s TYR 5 N 0.28 3.04 -0.07 -0.53 2.02 -1.26 -0.51 117.35 120.32 3kjk s TYR 5 Ca -0.03 -0.14 0.03 0.00 -0.37 0.00 0.00 57.07 56.55 3kjk s TYR 5 Cb -0.14 -1.89 0.01 0.00 -0.40 0.00 0.00 41.96 39.54 3kjk s TYR 5 CO 0.03 0.12 -0.16 -0.06 -1.57 0.00 0.00 175.55 173.91 3kjk s PHE 6 N -0.07 1.78 -0.99 2.71 0.08 0.51 -4.79 117.98 117.21 3kjk s PHE 6 Ca 0.02 -0.67 -0.05 0.00 0.12 0.00 0.00 56.93 56.36 3kjk s PHE 6 Cb -0.13 -1.25 0.01 0.00 -0.57 0.00 0.00 43.02 41.08 3kjk s PHE 6 CO 0.02 -0.30 0.85 0.41 -0.10 0.00 0.00 175.22 176.10 3kjk n GLY 7 N 3.67 -0.17 3.72 4.36 0.00 -1.26 -1.29 105.19 114.21 3kjk n GLY 7 Ca -0.21 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.25 3.36 0.41 2.61 2.01 -1.26 -2.84 115.64 116.67 3kjk s THR 8 Ca 0.30 0.99 0.04 0.00 0.31 0.00 0.00 61.69 63.33 3kjk s THR 8 Cb -0.13 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 3kjk s THR 8 CO 0.55 0.08 0.05 0.42 -0.69 0.00 0.00 174.62 175.03 3kjk s THR 9 N 1.01 1.25 0.65 -0.82 -4.23 0.07 -4.99 115.64 108.58 3kjk s THR 9 Ca 0.63 -2.00 0.40 0.00 -1.18 0.00 0.00 61.69 59.55 3kjk s THR 9 Cb -0.36 -2.59 0.42 0.00 1.34 0.00 0.00 72.50 71.31 3kjk s THR 9 CO 0.31 0.00 2.34 -0.65 -0.54 0.00 0.00 174.62 176.08 3kjk h PRO 10 N 1.77 0.00 0.00 3.99 0.11 -2.06 -3.23 132.00 132.58 3kjk h PRO 10 Ca -0.41 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.33 3kjk h PRO 10 Cb 1.27 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.31 3kjk h PRO 10 CO 0.71 0.00 -2.38 -2.13 -0.21 0.00 0.00 178.00 173.99 3kjk n ARG 11 N -3.31 0.68 -3.72 1.05 0.63 -1.26 -5.08 116.66 105.65 3kjk n ARG 11 Ca -0.03 0.11 -0.07 0.00 -0.92 0.00 0.00 57.85 56.94 3kjk n ARG 11 Cb 0.08 -1.49 -0.02 0.00 0.45 0.00 0.00 32.46 31.48 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 -0.24 -0.06 -0.14 -0.85 -1.22 -5.16 117.35 107.19 3kjk s TYR 12 Ca -0.27 -0.10 0.02 0.00 -0.52 0.00 0.00 57.07 56.20 3kjk s TYR 12 Cb 0.08 0.65 -0.03 0.00 0.38 0.00 0.00 41.96 43.04 3kjk s TYR 12 CO 0.62 -0.98 -0.10 -1.12 -1.52 0.00 0.00 175.55 172.45 3kjk s SER 13 N -2.86 4.38 0.38 -0.18 0.01 -1.26 -0.75 113.70 113.42 3kjk s SER 13 Ca 0.09 -0.10 0.09 0.00 1.31 0.00 0.00 55.95 57.34 3kjk s SER 13 Cb -0.03 -1.02 0.77 0.00 0.21 0.00 0.00 66.02 65.95 3kjk s SER 13 CO 0.01 0.35 1.93 -0.33 0.41 0.00 0.00 173.24 175.61 3kjk h GLU 14 N 5.26 0.31 -2.88 12.44 4.39 -1.04 -3.37 114.58 129.70 3kjk h GLU 14 Ca -0.48 -0.06 -0.13 0.00 0.34 0.00 0.00 59.36 59.03 3kjk h GLU 14 Cb 1.16 -0.05 -0.24 0.00 -0.10 0.00 0.00 28.75 29.53 3kjk h GLU 14 CO 0.51 0.40 -0.28 0.00 -1.16 0.00 0.00 179.01 178.48 3kjk s ALA 15 N -4.84 -0.89 0.03 3.43 0.00 -0.85 -0.95 121.76 117.69 3kjk s ALA 15 Ca -0.06 0.92 0.05 0.00 0.00 0.00 0.00 51.96 52.87 3kjk s ALA 15 Cb 0.16 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 3kjk s ALA 15 CO 0.74 -0.19 -0.13 0.14 0.00 0.00 0.00 175.76 176.32 3kjk s VAL 16 N -0.04 1.06 0.04 0.00 -7.23 -0.16 -0.36 120.40 113.70 3kjk s VAL 16 Ca -0.02 -0.90 0.06 0.00 -1.81 0.00 0.00 61.98 59.31 3kjk s VAL 16 Cb -0.03 -0.95 -0.02 0.00 0.56 0.00 0.00 36.38 35.94 3kjk s VAL 16 CO 0.01 0.05 -0.18 -0.83 -0.31 0.00 0.00 175.10 173.84 3kjk s GLY 17 N -0.97 0.96 -0.28 2.32 0.00 0.33 -0.56 107.32 109.11 3kjk s GLY 17 Ca 0.02 -0.93 -0.15 0.00 0.00 0.00 0.00 44.72 43.65 3kjk s GLY 17 CO 0.01 -0.88 0.69 0.00 0.00 0.00 0.00 173.10 172.92 3kjk s ALA 18 N -0.79 -1.90 -1.34 3.20 0.00 -0.36 -0.38 121.76 120.19 3kjk s ALA 18 Ca 0.05 2.42 -0.02 0.00 0.00 0.00 0.00 51.96 54.41 3kjk s ALA 18 Cb -0.08 -1.47 -0.00 0.00 0.00 0.00 0.00 23.12 21.57 3kjk s ALA 18 CO 0.01 -0.43 0.55 -1.71 0.00 0.00 0.00 175.76 174.19 3kjk n ASN 19 N 4.41 -1.11 0.00 0.00 5.15 -1.26 -1.66 115.26 120.79 3kjk n ASN 19 Ca -0.19 -0.94 0.00 0.00 -0.60 0.00 0.00 54.58 52.85 3kjk n ASN 19 Cb 0.58 -3.45 0.00 0.00 -0.53 0.00 0.00 39.78 36.38 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 -1.81 1.29 3.84 8.20 0.00 -1.26 -4.99 105.19 110.46 3kjk n GLY 20 Ca -0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 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 4.26 -0.09 0.99 1.43 -0.66 -0.94 118.68 123.67 3kjk s LEU 21 Ca 0.00 1.19 0.01 0.00 -1.03 0.00 0.00 54.13 54.30 3kjk s LEU 21 Cb 0.00 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.66 3kjk s LEU 21 CO 0.00 -0.00 -0.10 -0.63 0.23 0.00 0.00 176.35 175.85 3kjk s ILE 22 N -1.63 1.08 -0.21 -0.59 1.01 0.21 -1.22 121.20 119.85 3kjk s ILE 22 Ca 0.44 -0.39 -0.03 0.00 0.00 0.00 0.00 60.65 60.66 3kjk s ILE 22 Cb -0.14 -1.04 -0.01 0.00 0.01 0.00 0.00 42.46 41.29 3kjk s ILE 22 CO 0.20 0.36 -0.06 -0.36 0.00 0.00 0.00 174.94 175.08 3kjk s PHE 23 N 1.11 2.94 0.00 3.97 0.08 0.27 0.11 117.98 126.46 3kjk s PHE 23 Ca -0.06 -0.94 -0.07 0.00 0.12 0.00 0.00 56.93 55.98 3kjk s PHE 23 Cb -0.14 -2.07 -0.05 0.00 -0.57 0.00 0.00 43.02 40.19 3kjk s PHE 23 CO -0.02 -0.53 0.27 -0.51 -0.10 0.00 0.00 175.22 174.34 3kjk s LEU 24 N 1.36 4.37 0.86 -0.37 1.43 -0.58 -0.99 118.68 124.76 3kjk s LEU 24 Ca 0.04 0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 53.59 3kjk s LEU 24 Cb -0.14 -2.64 0.11 0.00 0.03 0.00 0.00 46.19 43.55 3kjk s LEU 24 CO -0.03 0.26 1.18 -0.44 0.23 0.00 0.00 176.35 177.55 3kjk s SER 25 N -1.65 3.25 0.03 2.29 0.01 -0.13 -4.25 113.70 113.26 3kjk s SER 25 Ca 0.27 2.29 0.00 0.00 1.31 0.00 0.00 55.95 59.82 3kjk s SER 25 Cb -0.13 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.52 3kjk s SER 25 CO 0.15 -2.89 0.00 0.61 0.41 0.00 0.00 173.24 171.53 3kjk n GLY 26 N 0.37 -2.34 0.00 3.44 0.00 -1.26 -4.63 105.19 100.77 3kjk n GLY 26 Ca 0.13 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.77 0.00 -2.00 1.61 0.24 -1.26 -4.94 118.33 111.20 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 4.26 -0.03 7.34 0.02 -1.26 -4.79 135.00 138.54 3kjk s PRO 29 Ca 0.00 2.33 0.09 0.00 0.02 0.00 0.00 61.00 63.44 3kjk s PRO 29 Cb 0.00 -3.07 -0.13 0.00 0.02 0.00 0.00 34.50 31.31 3kjk s PRO 29 CO 0.00 -0.38 0.15 0.39 -0.33 0.00 0.00 177.00 176.84 3kjk n GLU 30 N 1.61 0.97 -4.13 5.54 1.02 -1.26 -5.03 120.64 119.36 3kjk n GLU 30 Ca 0.04 -0.06 -0.09 0.00 -0.02 0.00 0.00 57.16 57.03 3kjk n GLU 30 Cb 0.40 -1.22 -0.10 0.00 -0.02 0.00 0.00 31.44 30.50 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 -3.38 0.78 0.00 1.62 0.01 -1.26 -5.14 114.94 107.57 3kjk s ASN 31 Ca -0.04 -1.01 0.00 0.00 -0.71 0.00 0.00 52.86 51.11 3kjk s ASN 31 Cb 0.05 0.15 0.00 0.00 0.41 0.00 0.00 41.25 41.86 3kjk s ASN 31 CO 0.38 -0.54 0.00 0.61 -1.51 0.00 0.00 177.10 176.04 3kjk n GLY 32 N 0.04 1.23 0.79 0.66 0.00 -1.26 -4.25 105.19 102.40 3kjk n GLY 32 Ca -0.13 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.12 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 1.21 0.00 -1.54 1.61 1.02 -1.26 -4.76 120.64 116.92 3kjk n GLU 33 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.83 3kjk n GLU 33 Cb 0.00 -0.60 0.07 0.00 -0.02 0.00 0.00 31.44 30.89 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 -2.00 3.66 0.27 2.62 -4.23 -1.26 -4.86 115.64 109.84 3kjk s THR 34 Ca 0.00 0.54 -0.03 0.00 -1.18 0.00 0.00 61.69 61.02 3kjk s THR 34 Cb 0.00 -3.26 0.27 0.00 1.34 0.00 0.00 72.50 70.84 3kjk s THR 34 CO 0.00 -0.70 1.90 0.00 -0.54 0.00 0.00 174.62 175.28 3kjk h ALA 35 N -0.87 1.38 0.31 3.99 0.00 -1.96 -1.36 119.26 120.75 3kjk h ALA 35 Ca -0.45 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3kjk h ALA 35 Cb 1.23 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3kjk h ALA 35 CO 0.57 0.50 -0.15 0.00 0.00 0.00 0.00 179.25 180.17 3kjk h ALA 36 N 1.44 -0.42 -0.70 0.00 0.00 -1.93 -0.92 119.26 116.73 3kjk h ALA 36 Ca 0.41 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.24 3kjk h ALA 36 Cb 0.08 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3kjk h ALA 36 CO -0.14 -0.74 0.46 0.93 0.00 0.00 0.00 179.25 179.76 3kjk h GLU 37 N -0.42 0.92 -0.36 0.00 5.08 -1.87 -2.00 114.58 115.93 3kjk h GLU 37 Ca -0.04 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.14 3kjk h GLU 37 Cb 0.32 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3kjk h GLU 37 CO 0.07 0.61 -0.26 1.96 -1.00 0.00 0.00 179.01 180.39 3kjk h GLN 38 N 0.95 0.81 -0.21 2.33 4.20 -1.22 -2.37 115.11 119.61 3kjk h GLN 38 Ca 0.26 -0.40 0.02 0.00 0.06 0.00 0.00 58.65 58.59 3kjk h GLN 38 Cb -0.11 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 3kjk h GLN 38 CO -0.05 1.03 0.07 1.15 -0.67 0.00 0.00 178.83 180.36 3kjk h THR 39 N 0.60 0.95 -0.74 -0.54 2.02 -1.02 -0.60 112.91 113.59 3kjk h THR 39 Ca 0.07 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.20 3kjk h THR 39 Cb 0.83 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 3kjk h THR 39 CO 0.07 0.03 0.49 0.00 0.37 0.00 0.00 175.52 176.48 3kjk h ALA 40 N 1.13 1.50 -0.11 6.16 0.00 -1.29 0.13 119.26 126.77 3kjk h ALA 40 Ca 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3kjk h ALA 40 Cb 0.05 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3kjk h ALA 40 CO -0.09 0.45 -0.01 0.22 0.00 0.00 0.00 179.25 179.83 3kjk h ASP 41 N 0.97 0.21 -0.26 0.00 3.58 -1.03 0.15 116.42 120.05 3kjk h ASP 41 Ca 0.28 -0.33 0.04 0.00 0.42 0.00 0.00 57.03 57.44 3kjk h ASP 41 Cb -0.07 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 40.89 3kjk h ASP 41 CO -0.07 0.48 0.04 0.58 -2.88 0.00 0.00 179.24 177.40 3kjk h VAL 42 N -0.08 0.87 -0.45 2.25 2.07 -0.76 -0.65 116.25 119.50 3kjk h VAL 42 Ca 0.03 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 3kjk h VAL 42 Cb 0.38 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3kjk h VAL 42 CO 0.01 0.02 0.09 -0.07 0.02 0.00 0.00 177.57 177.64 3kjk h LEU 43 N 0.13 0.64 -0.96 2.57 3.38 -0.93 -0.41 115.31 119.73 3kjk h LEU 43 Ca 0.12 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3kjk h LEU 43 Cb 0.13 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3kjk h LEU 43 CO -0.17 0.65 0.08 0.00 0.09 0.00 0.00 178.44 179.09 3kjk h ALA 44 N 1.44 1.15 -0.53 1.53 0.00 -0.45 -0.71 119.26 121.69 3kjk h ALA 44 Ca 0.15 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3kjk h ALA 44 Cb 0.28 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3kjk h ALA 44 CO 0.00 0.56 -0.08 1.96 0.00 0.00 0.00 179.25 181.69 3kjk h GLN 45 N 0.79 0.99 -0.78 0.00 4.20 -0.52 -2.47 115.11 117.32 3kjk h GLN 45 Ca 0.17 -0.36 0.01 0.00 0.06 0.00 0.00 58.65 58.53 3kjk h GLN 45 Cb 0.37 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.04 3kjk h GLN 45 CO 0.01 1.03 0.52 0.82 -0.67 0.00 0.00 178.83 180.54 3kjk h ILE 46 N 0.86 1.20 -0.54 2.54 2.04 -0.76 -1.50 117.51 121.35 3kjk h ILE 46 Ca 0.14 -0.37 0.06 0.00 1.00 0.00 0.00 64.86 65.68 3kjk h ILE 46 Cb 0.64 0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 3kjk h ILE 46 CO 0.04 0.20 0.25 0.44 0.00 0.00 0.00 178.15 179.08 3kjk h ASP 47 N 1.06 0.34 -0.38 1.72 3.32 -0.97 -1.21 116.42 120.30 3kjk h ASP 47 Ca 0.29 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.34 3kjk h ASP 47 Cb -0.12 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3kjk h ASP 47 CO -0.06 0.23 0.09 0.03 -1.72 0.00 0.00 179.24 177.80 3kjk h ARG 48 N 0.48 0.61 -0.16 3.56 3.08 -1.04 -2.16 114.38 118.75 3kjk h ARG 48 Ca 0.25 -0.15 -0.22 0.00 0.07 0.00 0.00 59.98 59.92 3kjk h ARG 48 Cb 0.19 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.17 3kjk h ARG 48 CO -0.19 0.65 -0.78 -1.49 -1.07 0.00 0.00 179.97 177.08 3kjk h TRP 49 N 0.46 1.09 -0.35 3.04 4.06 -1.17 -1.96 115.95 121.13 3kjk h TRP 49 Ca 0.12 -0.48 0.07 0.00 2.06 0.00 0.00 58.89 60.66 3kjk h TRP 49 Cb 0.31 -0.17 -0.07 0.00 -1.00 0.00 0.00 29.16 28.24 3kjk h TRP 49 CO 0.02 1.32 -0.09 -0.07 -3.56 0.00 0.00 178.44 176.05 3kjk h LEU 50 N 0.55 -0.33 -0.94 -4.49 3.38 -1.26 -1.78 115.31 110.43 3kjk h LEU 50 Ca -0.05 0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.08 3kjk h LEU 50 Cb 1.41 0.22 -0.06 0.00 0.09 0.00 0.00 40.66 42.32 3kjk h LEU 50 CO 0.16 -0.12 0.60 0.00 0.09 0.00 0.00 178.44 179.17 3kjk h ALA 51 N 1.34 1.29 -0.98 1.53 0.00 -1.23 0.16 119.26 121.38 3kjk h ALA 51 Ca 0.17 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.15 3kjk h ALA 51 Cb 0.26 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 3kjk h ALA 51 CO -0.36 0.39 0.63 0.93 0.00 0.00 0.00 179.25 180.84 3kjk h GLU 52 N 1.11 1.03 -0.17 0.00 4.39 -0.72 -2.95 114.58 117.27 3kjk h GLU 52 Ca 0.40 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.04 3kjk h GLU 52 Cb 0.14 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 3kjk h GLU 52 CO -0.16 0.68 0.00 0.00 -1.16 0.00 0.00 179.01 178.37 3kjk n GLY 54 N 1.14 0.56 1.81 0.00 0.00 -0.91 -4.80 105.19 103.00 3kjk n GLY 54 Ca 0.16 -0.83 -0.13 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 1.71 0.81 -3.24 1.61 2.88 0.40 -1.95 113.62 115.84 3kjk n SER 55 Ca 0.00 -2.19 -0.06 0.00 -1.33 0.00 0.00 58.87 55.30 3kjk n SER 55 Cb 0.27 0.63 0.02 0.00 -0.75 0.00 0.00 64.21 64.38 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 -2.35 -0.03 0.58 -3.46 1.47 -1.26 -2.84 116.67 108.79 3kjk s ASP 56 Ca 0.13 -0.85 0.35 0.00 1.18 0.00 0.00 52.55 53.36 3kjk s ASP 56 Cb 0.01 0.67 1.79 0.00 -0.34 0.00 0.00 42.92 45.04 3kjk s ASP 56 CO 0.09 -1.31 2.17 0.07 0.68 0.00 0.00 175.17 176.87 3kjk h LYS 57 N 2.00 0.00 -0.03 2.11 2.10 -1.93 -1.10 116.57 119.72 3kjk h LYS 57 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 3kjk h LYS 57 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 3kjk h LYS 57 CO 0.36 0.04 0.00 0.00 -2.00 0.00 0.00 179.45 177.85 3kjk n ALA 58 N -2.17 2.61 -1.89 0.07 0.00 -1.26 -3.36 120.51 114.52 3kjk n ALA 58 Ca -0.02 -0.27 0.05 0.00 0.00 0.00 0.00 53.44 53.21 3kjk n ALA 58 Cb 0.19 -1.31 0.14 0.00 0.00 0.00 0.00 19.45 18.46 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 -0.51 0.00 -3.11 0.00 8.25 -0.42 -4.99 115.22 114.44 3kjk n HIS 59 Ca 0.18 -1.10 -0.39 0.00 -0.26 0.00 0.00 57.72 56.16 3kjk n HIS 59 Cb 0.17 -0.21 -0.05 0.00 1.12 0.00 0.00 29.99 31.03 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 -2.04 4.99 -0.18 1.59 1.01 -1.21 -1.73 120.40 122.83 3kjk s VAL 60 Ca 0.35 1.36 -0.07 0.00 0.00 0.00 0.00 61.98 63.62 3kjk s VAL 60 Cb 0.36 -3.99 -0.22 0.00 0.00 0.00 0.00 36.38 32.53 3kjk s VAL 60 CO -0.10 0.32 0.15 0.18 0.00 0.00 0.00 175.10 175.65 3kjk n LEU 61 N 3.38 2.59 -3.79 3.92 4.77 -0.12 -4.42 117.00 123.32 3kjk n LEU 61 Ca -0.04 0.15 -0.13 0.00 -0.03 0.00 0.00 56.01 55.97 3kjk n LEU 61 Cb 0.51 -1.03 -0.12 0.00 -2.33 0.00 0.00 43.42 40.45 3kjk n LEU 61 CO 0.46 0.79 -0.11 -0.62 -1.33 0.00 0.00 177.39 176.57 3kjk s ASP 62 N -6.92 -0.24 -0.05 -1.43 2.15 -0.92 -0.93 116.67 108.34 3kjk s ASP 62 Ca -0.27 0.46 -0.02 0.00 0.43 0.00 0.00 52.55 53.15 3kjk s ASP 62 Cb 0.08 0.46 0.03 0.00 -0.30 0.00 0.00 42.92 43.19 3kjk s ASP 62 CO 0.69 -0.08 0.08 0.00 -0.17 0.00 0.00 175.17 175.69 3kjk s ALA 63 N 0.19 0.04 -0.20 3.66 0.00 0.12 -1.31 121.76 124.27 3kjk s ALA 63 Ca -0.01 0.36 -0.04 0.00 0.00 0.00 0.00 51.96 52.27 3kjk s ALA 63 Cb -0.02 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 3kjk s ALA 63 CO -0.00 -0.37 -0.02 0.08 0.00 0.00 0.00 175.76 175.45 3kjk s VAL 64 N 1.79 3.73 -0.29 0.00 1.01 -0.34 -1.48 120.40 124.81 3kjk s VAL 64 Ca -0.01 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 3kjk s VAL 64 Cb -0.12 -2.68 0.03 0.00 0.00 0.00 0.00 36.38 33.61 3kjk s VAL 64 CO -0.04 0.44 0.03 -0.63 0.00 0.00 0.00 175.10 174.90 3kjk s ILE 65 N 1.03 3.44 -0.23 2.22 1.01 0.12 -0.68 121.20 128.12 3kjk s ILE 65 Ca 0.01 -1.00 -0.13 0.00 0.00 0.00 0.00 60.65 59.53 3kjk s ILE 65 Cb -0.14 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 3kjk s ILE 65 CO 0.01 0.03 0.28 -0.31 0.00 0.00 0.00 174.94 174.95 3kjk s TYR 66 N 1.39 3.32 -0.11 3.97 2.02 0.69 -1.80 117.35 126.83 3kjk s TYR 66 Ca -0.00 0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 57.06 3kjk s TYR 66 Cb -0.18 -2.41 -0.03 0.00 -0.40 0.00 0.00 41.96 38.94 3kjk s TYR 66 CO -0.00 -0.02 -0.03 -0.51 -1.57 0.00 0.00 175.55 173.42 3kjk s LEU 67 N 1.33 3.36 0.18 -1.29 1.43 -0.56 -0.69 118.68 122.44 3kjk s LEU 67 Ca 0.13 -0.01 -0.13 0.00 -1.03 0.00 0.00 54.13 53.09 3kjk s LEU 67 Cb -0.14 -1.78 0.14 0.00 0.03 0.00 0.00 46.19 44.44 3kjk s LEU 67 CO 0.07 0.29 1.78 -0.09 0.23 0.00 0.00 176.35 178.63 3kjk h ARG 68 N 5.84 0.48 0.00 1.70 2.43 -1.20 -0.28 114.38 123.35 3kjk h ARG 68 Ca -0.42 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3kjk h ARG 68 Cb 1.19 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 3kjk h ARG 68 CO 0.58 0.32 0.00 -3.47 -1.51 0.00 0.00 179.97 175.89 3kjk n ASP 69 N -4.89 0.66 0.00 -3.80 4.64 -1.26 -4.52 116.55 107.38 3kjk n ASP 69 Ca 0.05 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.46 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 1.68 0.00 1.15 0.27 0.00 -1.26 -4.47 105.19 102.55 3kjk n GLY 71 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 3.33 0.19 1.61 8.00 -1.26 -4.64 116.55 123.78 3kjk n ASP 72 Ca 0.00 -2.09 -0.15 0.00 0.71 0.00 0.00 54.79 53.27 3kjk n ASP 72 Cb 0.00 -0.42 -0.08 0.00 -0.02 0.00 0.00 41.12 40.60 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 3.41 -0.38 -0.69 1.24 3.20 -2.01 -3.09 116.97 118.65 3kjk h TYR 73 Ca 0.00 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 3kjk h TYR 73 Cb 0.89 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 39.26 3kjk h TYR 73 CO 0.45 -0.23 0.14 0.00 -1.64 0.00 0.00 178.16 176.88 3kjk h ALA 74 N 0.28 0.91 0.00 1.82 0.00 -1.99 -0.20 119.26 120.08 3kjk h ALA 74 Ca -0.04 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3kjk h ALA 74 Cb 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3kjk h ALA 74 CO 0.07 0.65 0.00 -1.91 0.00 0.00 0.00 179.25 178.06 3kjk n GLU 75 N -4.23 0.19 0.00 0.00 2.13 -1.17 -1.07 120.64 116.49 3kjk n GLU 75 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 3kjk n GLU 75 Cb 0.27 -1.16 0.00 0.00 0.27 0.00 0.00 31.44 30.82 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 0.51 0.00 -0.31 4.31 3.02 -0.09 -3.39 115.26 119.32 3kjk n ASN 77 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.66 3kjk n ASN 77 Cb 0.06 0.00 0.28 0.00 -0.61 0.00 0.00 39.78 39.51 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 1.52 0.70 7.41 0.00 -1.36 0.32 103.07 111.66 3kjk h GLY 78 Ca 0.00 -0.24 -0.16 0.00 0.00 0.00 0.00 47.33 46.94 3kjk h GLY 78 CO 0.00 -0.14 -0.64 -2.08 0.00 0.00 0.00 176.54 173.68 3kjk h VAL 79 N 0.55 1.48 -0.36 4.60 2.07 -1.84 -3.14 116.25 119.61 3kjk h VAL 79 Ca 0.53 -2.25 0.05 0.00 0.82 0.00 0.00 66.70 65.85 3kjk h VAL 79 Cb 0.88 2.86 -0.05 0.00 -1.52 0.00 0.00 31.29 33.46 3kjk h VAL 79 CO -0.44 0.64 0.08 -0.25 0.02 0.00 0.00 177.57 177.62 3kjk h TRP 80 N -0.26 0.13 -0.89 1.57 2.91 -1.75 -2.40 115.95 115.27 3kjk h TRP 80 Ca -0.10 0.02 0.01 0.00 1.13 0.00 0.00 58.89 59.96 3kjk h TRP 80 Cb 1.41 -0.01 -0.05 0.00 -0.51 0.00 0.00 29.16 30.01 3kjk h TRP 80 CO 0.17 0.03 0.59 -0.44 -1.03 0.00 0.00 178.44 177.76 3kjk h ASP 81 N 0.20 1.01 0.94 2.65 3.32 -0.48 -1.64 116.42 122.42 3kjk h ASP 81 Ca 0.17 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3kjk h ASP 81 Cb 0.19 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3kjk h ASP 81 CO -0.22 0.72 0.00 0.00 -1.72 0.00 0.00 179.24 178.03 3kjk n ALA 82 N -2.35 2.01 -0.05 3.45 0.00 -1.11 -3.81 120.51 118.66 3kjk n ALA 82 Ca 0.10 -0.03 -0.18 0.00 0.00 0.00 0.00 53.44 53.33 3kjk n ALA 82 Cb 0.03 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 17.95 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 -1.86 0.75 -1.46 0.00 -0.00 -0.68 -5.00 117.44 109.20 3kjk n TRP 83 Ca 0.05 0.18 -0.34 0.00 -0.00 0.00 0.00 57.50 57.39 3kjk n TRP 83 Cb 0.30 -1.10 0.09 0.00 -0.00 0.00 0.00 31.31 30.59 3kjk n TRP 83 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 3kjk s VAL 84 N -2.55 2.49 -0.30 5.87 -7.23 -0.85 -4.96 120.40 112.87 3kjk s VAL 84 Ca -0.23 0.23 -0.29 0.00 -1.81 0.00 0.00 61.98 59.88 3kjk s VAL 84 Cb 0.07 -2.76 0.01 0.00 0.56 0.00 0.00 36.38 34.26 3kjk s VAL 84 CO 0.73 -0.14 1.16 0.00 -0.31 0.00 0.00 175.10 176.54 3kjk s ALA 85 N -2.10 3.48 0.24 1.32 0.00 -1.26 -4.99 121.76 118.46 3kjk s ALA 85 Ca 0.72 0.04 -0.31 0.00 0.00 0.00 0.00 51.96 52.42 3kjk s ALA 85 Cb -0.27 -3.70 -0.13 0.00 0.00 0.00 0.00 23.12 19.02 3kjk s ALA 85 CO 0.45 -1.53 1.42 0.00 0.00 0.00 0.00 175.76 176.11 3kjk n ALA 86 N 7.05 1.21 -0.16 0.00 0.00 -1.26 -0.60 120.51 126.75 3kjk n ALA 86 Ca 0.13 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.98 3kjk n ALA 86 Cb 0.47 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 2.18 1.98 2.47 0.00 0.00 -1.26 -4.78 105.19 105.77 3kjk n GLY 87 Ca 0.11 0.00 -0.08 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 2.34 -2.31 1.61 1.74 0.23 -5.08 116.66 113.19 3kjk n ARG 88 Ca 0.00 -3.69 -0.39 0.00 -0.77 0.00 0.00 57.85 52.99 3kjk n ARG 88 Cb 0.00 -1.80 -0.03 0.00 -1.02 0.00 0.00 32.46 29.61 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 -3.97 3.17 0.70 0.55 -4.23 -1.07 -4.56 115.64 106.24 3kjk s THR 89 Ca 0.36 1.08 -0.06 0.00 -1.18 0.00 0.00 61.69 61.89 3kjk s THR 89 Cb 0.35 -3.65 0.07 0.00 1.34 0.00 0.00 72.50 70.62 3kjk s THR 89 CO -0.02 0.18 1.00 -2.16 -0.54 0.00 0.00 174.62 173.08 3kjk s PRO 90 N -1.95 2.09 0.39 3.99 0.04 -1.26 -5.04 135.00 133.26 3kjk s PRO 90 Ca 0.52 -0.42 -0.27 0.00 0.04 0.00 0.00 61.00 60.86 3kjk s PRO 90 Cb -0.33 -2.21 -0.10 0.00 0.04 0.00 0.00 34.50 31.90 3kjk s PRO 90 CO 0.42 -1.26 1.45 0.00 0.04 0.00 0.00 177.00 177.65 3kjk s ALA 91 N -3.21 3.48 -0.00 8.56 0.00 -0.11 -4.89 121.76 125.59 3kjk s ALA 91 Ca 0.61 1.51 0.01 0.00 0.00 0.00 0.00 51.96 54.09 3kjk s ALA 91 Cb -0.10 -3.59 -0.00 0.00 0.00 0.00 0.00 23.12 19.43 3kjk s ALA 91 CO 0.44 -1.05 -0.02 0.50 0.00 0.00 0.00 175.76 175.62 3kjk s ARG 92 N -2.17 0.20 -0.02 0.00 3.52 -1.26 -0.70 118.95 118.52 3kjk s ARG 92 Ca 0.55 -0.11 0.02 0.00 -0.13 0.00 0.00 55.73 56.05 3kjk s ARG 92 Cb -0.45 -0.18 0.01 0.00 -1.56 0.00 0.00 34.95 32.77 3kjk s ARG 92 CO 0.60 0.05 -0.06 0.00 -0.81 0.00 0.00 175.30 175.08 3kjk s ALA 93 N -0.13 0.66 -0.05 6.12 0.00 -0.55 -5.00 121.76 122.82 3kjk s ALA 93 Ca 0.00 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 51.78 3kjk s ALA 93 Cb -0.01 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.84 3kjk s ALA 93 CO -0.00 0.09 -0.13 0.00 0.00 0.00 0.00 175.76 175.72 3kjk s VAL 95 N 0.33 0.04 -0.28 0.00 0.11 -0.74 -4.99 120.40 114.86 3kjk s VAL 95 Ca -0.08 -0.37 -0.17 0.00 -2.93 0.00 0.00 61.98 58.44 3kjk s VAL 95 Cb -0.12 -0.68 -0.03 0.00 -1.53 0.00 0.00 36.38 34.03 3kjk s VAL 95 CO 0.02 -0.20 0.46 -0.70 -3.33 0.00 0.00 175.10 171.34 3kjk s GLU 96 N -1.22 3.95 -0.13 1.54 2.12 -1.26 -1.50 118.70 122.19 3kjk s GLU 96 Ca -0.12 0.10 -0.11 0.00 0.36 0.00 0.00 54.97 55.20 3kjk s GLU 96 Cb -0.04 -3.69 0.04 0.00 0.26 0.00 0.00 34.13 30.70 3kjk s GLU 96 CO 0.05 -0.38 0.35 0.00 -0.54 0.00 0.00 175.26 174.73 3kjk s ALA 97 N 2.23 -0.86 0.56 6.30 0.00 -0.11 -4.92 121.76 124.96 3kjk s ALA 97 Ca 0.18 1.07 -0.19 0.00 0.00 0.00 0.00 51.96 53.02 3kjk s ALA 97 Cb -0.16 -0.63 -0.05 0.00 0.00 0.00 0.00 23.12 22.28 3kjk s ALA 97 CO 0.10 -0.18 1.14 1.03 0.00 0.00 0.00 175.76 177.85 3kjk s ARG 98 N 0.47 3.23 0.33 0.00 0.52 -1.26 -3.42 118.95 118.82 3kjk s ARG 98 Ca -0.02 1.61 0.02 0.00 -0.52 0.00 0.00 55.73 56.82 3kjk s ARG 98 Cb -0.04 -1.99 0.02 0.00 0.52 0.00 0.00 34.95 33.46 3kjk s ARG 98 CO -0.02 -0.95 0.20 1.28 0.02 0.00 0.00 175.30 175.83 3kjk n LEU 99 N -1.48 0.00 0.17 2.53 4.77 -1.26 -5.00 117.00 116.73 3kjk n LEU 99 Ca 0.12 -1.76 0.02 0.00 -0.03 0.00 0.00 56.01 54.36 3kjk n LEU 99 Cb 0.51 0.02 0.37 0.00 -2.33 0.00 0.00 43.42 41.99 3kjk n LEU 99 CO 0.43 -0.42 0.77 0.00 -1.33 0.00 0.00 177.39 176.84 3kjk h ALA 100 N 0.79 1.42 -4.26 -1.18 0.00 -1.96 -3.41 119.26 110.67 3kjk h ALA 100 Ca -0.22 -0.30 -0.67 0.00 0.00 0.00 0.00 54.91 53.72 3kjk h ALA 100 Cb 0.77 -0.06 -0.26 0.00 0.00 0.00 0.00 17.79 18.23 3kjk h ALA 100 CO 0.35 0.42 -0.87 1.03 0.00 0.00 0.00 179.25 180.18 3kjk s ARG 101 N -4.35 1.71 0.51 0.00 0.52 -1.26 -5.05 118.95 111.04 3kjk s ARG 101 Ca -0.04 -1.07 0.28 0.00 -0.52 0.00 0.00 55.73 54.38 3kjk s ARG 101 Cb 0.15 -1.88 1.36 0.00 0.52 0.00 0.00 34.95 35.10 3kjk s ARG 101 CO 0.73 0.48 2.02 -1.35 0.02 0.00 0.00 175.30 177.20 3kjk h PRO 102 N 4.81 0.00 0.00 3.54 0.11 -2.03 -2.40 132.00 136.03 3kjk h PRO 102 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kjk h PRO 102 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3kjk h PRO 102 CO 0.44 0.13 -0.00 0.39 -0.21 0.00 0.00 178.00 178.74 3kjk n GLU 103 N -3.49 0.02 -2.75 1.05 4.71 -1.26 -4.75 120.64 114.17 3kjk n GLU 103 Ca -0.01 0.02 -0.42 0.00 -0.01 0.00 0.00 57.16 56.73 3kjk n GLU 103 Cb 0.28 -1.52 -0.03 0.00 -1.01 0.00 0.00 31.44 29.16 3kjk n GLU 103 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 3kjk s TRP 104 N -3.01 3.37 -0.33 -0.32 0.51 -0.91 -4.92 118.94 113.34 3kjk s TRP 104 Ca 0.14 1.38 0.22 0.00 -2.12 0.00 0.00 56.10 55.71 3kjk s TRP 104 Cb 0.19 -3.17 -0.30 0.00 -0.81 0.00 0.00 33.47 29.37 3kjk s TRP 104 CO 0.54 -0.39 0.61 0.54 -0.51 0.00 0.00 176.95 177.73 3kjk n ARG 105 N 5.90 0.46 -3.71 4.98 1.74 -1.26 -4.58 116.66 120.18 3kjk n ARG 105 Ca 0.09 -0.14 -0.13 0.00 -0.77 0.00 0.00 57.85 56.90 3kjk n ARG 105 Cb 0.47 -1.51 -0.10 0.00 -1.02 0.00 0.00 32.46 30.30 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 -3.35 -0.00 -0.02 1.55 0.11 -1.26 -1.27 120.40 116.15 3kjk s VAL 106 Ca -0.03 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.04 3kjk s VAL 106 Cb 0.15 -0.65 0.01 0.00 -1.53 0.00 0.00 36.38 34.35 3kjk s VAL 106 CO 0.89 0.00 -0.04 -0.70 -3.33 0.00 0.00 175.10 171.93 3kjk s GLU 107 N 0.42 0.50 -0.08 1.54 2.12 0.13 -4.25 118.70 119.08 3kjk s GLU 107 Ca -0.01 -0.10 0.04 0.00 0.36 0.00 0.00 54.97 55.25 3kjk s GLU 107 Cb -0.04 -0.54 0.00 0.00 0.26 0.00 0.00 34.13 33.82 3kjk s GLU 107 CO -0.01 0.00 -0.20 0.42 -0.54 0.00 0.00 175.26 174.93 3kjk s ILE 108 N 0.43 1.73 -0.20 -3.70 1.01 -1.26 -0.22 121.20 118.99 3kjk s ILE 108 Ca -0.05 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 59.75 3kjk s ILE 108 Cb -0.08 -1.51 0.01 0.00 0.01 0.00 0.00 42.46 40.89 3kjk s ILE 108 CO -0.00 0.49 -0.12 -0.75 0.00 0.00 0.00 174.94 174.55 3kjk s LYS 109 N 0.35 3.16 -0.08 2.79 2.20 0.15 -4.48 119.74 123.83 3kjk s LYS 109 Ca -0.15 -0.74 0.01 0.00 -0.36 0.00 0.00 55.97 54.73 3kjk s LYS 109 Cb -0.16 -2.80 -0.03 0.00 -1.51 0.00 0.00 37.83 33.33 3kjk s LYS 109 CO 0.06 -0.21 -0.09 0.42 -0.36 0.00 0.00 175.35 175.16 3kjk s ILE 110 N 1.38 3.45 -0.09 5.43 -1.09 -1.26 -1.20 121.20 127.82 3kjk s ILE 110 Ca 0.05 -0.56 0.03 0.00 -2.23 0.00 0.00 60.65 57.94 3kjk s ILE 110 Cb -0.14 -2.41 -0.02 0.00 -1.58 0.00 0.00 42.46 38.31 3kjk s ILE 110 CO -0.08 0.57 -0.18 -0.89 -1.23 0.00 0.00 174.94 173.13 3kjk s THR 111 N -0.44 2.70 0.29 2.92 2.01 -0.43 -1.52 115.64 121.16 3kjk s THR 111 Ca 0.06 -0.82 0.04 0.00 0.31 0.00 0.00 61.69 61.29 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 0.56 0.29 0.00 -0.69 0.00 0.00 174.62 174.80 3kjk n ALA 112 N 3.02 0.37 -2.73 7.40 0.00 0.12 -0.95 120.51 127.75 3kjk n ALA 112 Ca -0.18 -1.58 -0.17 0.00 0.00 0.00 0.00 53.44 51.51 3kjk n ALA 112 Cb 0.52 1.28 -0.13 0.00 0.00 0.00 0.00 19.45 21.12 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 0.79 0.50 0.00 0.11 -0.70 0.68 120.40 118.73 3kjk s VAL 113 Ca 0.31 -0.81 -0.22 0.00 -2.93 0.00 0.00 61.98 58.34 3kjk s VAL 113 Cb 0.01 -0.74 -0.06 0.00 -1.53 0.00 0.00 36.38 34.06 3kjk s VAL 113 CO 0.22 -0.05 1.21 -0.54 -3.33 0.00 0.00 175.10 172.62 3kjk s LYS 114 N -0.96 3.50 0.75 1.54 1.02 -0.12 -4.64 119.74 120.83 3kjk s LYS 114 Ca -0.01 1.88 -0.11 0.00 0.02 0.00 0.00 55.97 57.75 3kjk s LYS 114 Cb -0.07 -2.29 0.04 0.00 -0.52 0.00 0.00 37.83 34.99 3kjk s LYS 114 CO 0.01 -0.80 1.08 1.03 -0.92 0.00 0.00 175.35 175.75 3kjk s ARG 115 N -2.86 2.45 0.00 1.68 0.52 -0.82 -5.00 118.95 114.92 3kjk s ARG 115 Ca 0.68 1.08 0.17 0.00 -0.52 0.00 0.00 55.73 57.13 3kjk s ARG 115 Cb -0.31 -1.93 0.13 0.00 0.52 0.00 0.00 34.95 33.36 3kjk s ARG 115 CO 0.37 -1.48 1.03 -0.25 0.02 0.00 0.00 175.30 174.99