#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 4.89 -0.11 0.53 1.01 -1.26 -4.41 121.20 121.85 3kjk s ILE 3 Ca 0.00 1.71 -0.02 0.00 0.00 0.00 0.00 60.65 62.34 3kjk s ILE 3 Cb 0.00 -4.16 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 3kjk s ILE 3 CO 0.00 0.26 -0.03 -0.60 0.00 0.00 0.00 174.94 174.56 3kjk s ARG 4 N 0.61 3.22 -0.13 2.79 3.52 0.66 -4.96 118.95 124.67 3kjk s ARG 4 Ca 0.43 -0.49 -0.03 0.00 -0.13 0.00 0.00 55.73 55.51 3kjk s ARG 4 Cb -0.20 -2.80 -0.03 0.00 -1.56 0.00 0.00 34.95 30.37 3kjk s ARG 4 CO 0.23 0.50 -0.02 0.71 -0.81 0.00 0.00 175.30 175.91 3kjk s TYR 5 N -0.34 3.08 -0.04 5.12 2.02 -1.26 -0.16 117.35 125.76 3kjk s TYR 5 Ca 0.06 -0.08 0.06 0.00 -0.37 0.00 0.00 57.07 56.74 3kjk s TYR 5 Cb -0.12 -1.89 -0.01 0.00 -0.40 0.00 0.00 41.96 39.53 3kjk s TYR 5 CO 0.02 0.18 -0.24 -0.06 -1.57 0.00 0.00 175.55 173.88 3kjk s PHE 6 N -0.15 2.26 -1.34 2.71 0.08 0.36 -4.79 117.98 117.10 3kjk s PHE 6 Ca 0.04 -0.60 -0.04 0.00 0.12 0.00 0.00 56.93 56.45 3kjk s PHE 6 Cb -0.13 -1.48 0.02 0.00 -0.57 0.00 0.00 43.02 40.87 3kjk s PHE 6 CO 0.02 -0.16 0.85 0.41 -0.10 0.00 0.00 175.22 176.25 3kjk n GLY 7 N 2.84 -0.37 3.70 4.36 0.00 -1.26 -1.29 105.19 113.17 3kjk n GLY 7 Ca -0.17 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.51 3.82 0.47 2.61 2.01 -1.26 -2.50 115.64 117.28 3kjk s THR 8 Ca 0.20 1.25 0.05 0.00 0.31 0.00 0.00 61.69 63.50 3kjk s THR 8 Cb -0.09 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 3kjk s THR 8 CO 0.80 0.04 0.19 0.42 -0.69 0.00 0.00 174.62 175.38 3kjk s THR 9 N 1.77 1.82 -0.45 -0.82 -4.23 0.78 -4.98 115.64 109.53 3kjk s THR 9 Ca 0.61 -1.73 0.20 0.00 -1.18 0.00 0.00 61.69 59.59 3kjk s THR 9 Cb -0.31 -2.55 0.20 0.00 1.34 0.00 0.00 72.50 71.19 3kjk s THR 9 CO 0.27 0.00 1.60 -2.65 -0.54 0.00 0.00 174.62 173.30 3kjk n PRO 10 N -1.38 0.14 -0.07 3.99 -0.02 -1.26 -3.50 135.00 132.89 3kjk n PRO 10 Ca -0.06 0.51 -0.09 0.00 -2.02 0.00 0.00 63.50 61.84 3kjk n PRO 10 Cb 0.65 -1.85 -0.09 0.00 -0.02 0.00 0.00 33.50 32.20 3kjk n PRO 10 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3kjk n ARG 11 N -2.12 1.03 -3.63 -0.52 0.63 -1.26 -5.09 116.66 105.71 3kjk n ARG 11 Ca 0.00 0.05 -0.08 0.00 -0.92 0.00 0.00 57.85 56.91 3kjk n ARG 11 Cb 0.12 -1.33 -0.02 0.00 0.45 0.00 0.00 32.46 31.68 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 -2.32 -0.31 -0.06 -0.14 -0.85 -1.23 -5.16 117.35 107.28 3kjk s TYR 12 Ca -0.16 0.04 -0.01 0.00 -0.52 0.00 0.00 57.07 56.42 3kjk s TYR 12 Cb 0.05 0.61 -0.03 0.00 0.38 0.00 0.00 41.96 42.97 3kjk s TYR 12 CO 0.44 -0.87 -0.00 -1.12 -1.52 0.00 0.00 175.55 172.48 3kjk s SER 13 N -2.78 5.15 0.41 -0.18 0.01 -1.26 -0.16 113.70 114.90 3kjk s SER 13 Ca 0.07 0.08 0.07 0.00 1.31 0.00 0.00 55.95 57.48 3kjk s SER 13 Cb -0.02 -1.41 0.85 0.00 0.21 0.00 0.00 66.02 65.65 3kjk s SER 13 CO -0.04 0.35 2.05 -0.33 0.41 0.00 0.00 173.24 175.68 3kjk h GLU 14 N 4.90 0.54 -2.85 12.44 4.39 -0.88 -3.38 114.58 129.73 3kjk h GLU 14 Ca -0.50 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.06 3kjk h GLU 14 Cb 1.19 -0.12 -0.19 0.00 -0.10 0.00 0.00 28.75 29.52 3kjk h GLU 14 CO 0.55 0.37 -0.16 0.00 -1.16 0.00 0.00 179.01 178.61 3kjk s ALA 15 N -5.46 -1.00 -0.04 3.43 0.00 -0.96 -1.14 121.76 116.60 3kjk s ALA 15 Ca -0.08 0.49 0.02 0.00 0.00 0.00 0.00 51.96 52.39 3kjk s ALA 15 Cb 0.17 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.42 3kjk s ALA 15 CO 0.73 -0.32 -0.07 0.08 0.00 0.00 0.00 175.76 176.19 3kjk s VAL 16 N -1.54 0.65 -0.04 0.00 1.01 -0.67 -0.49 120.40 119.32 3kjk s VAL 16 Ca -0.11 -0.24 0.07 0.00 0.00 0.00 0.00 61.98 61.70 3kjk s VAL 16 Cb -0.03 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.71 3kjk s VAL 16 CO 0.04 0.23 -0.24 -0.83 0.00 0.00 0.00 175.10 174.30 3kjk s GLY 17 N 0.56 1.32 -0.20 4.51 0.00 0.77 -1.08 107.32 113.20 3kjk s GLY 17 Ca -0.08 -1.07 -0.08 0.00 0.00 0.00 0.00 44.72 43.49 3kjk s GLY 17 CO 0.01 -0.79 0.44 0.00 0.00 0.00 0.00 173.10 172.75 3kjk s ALA 18 N -0.45 -1.21 -1.38 3.20 0.00 -0.40 -0.24 121.76 121.28 3kjk s ALA 18 Ca 0.05 1.61 -0.02 0.00 0.00 0.00 0.00 51.96 53.60 3kjk s ALA 18 Cb -0.11 -1.23 -0.00 0.00 0.00 0.00 0.00 23.12 21.77 3kjk s ALA 18 CO 0.01 -0.59 0.46 -1.71 0.00 0.00 0.00 175.76 173.92 3kjk n ASN 19 N 4.99 -0.72 0.00 0.00 5.15 -1.26 -1.41 115.26 122.01 3kjk n ASN 19 Ca -0.14 -1.00 0.00 0.00 -0.60 0.00 0.00 54.58 52.84 3kjk n ASN 19 Cb 0.52 -3.12 0.00 0.00 -0.53 0.00 0.00 39.78 36.65 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 -1.94 2.85 3.80 8.20 0.00 -1.26 -5.00 105.19 111.84 3kjk n GLY 20 Ca -0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 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 4.37 -0.09 0.99 1.43 -0.50 -0.42 118.68 124.46 3kjk s LEU 21 Ca 0.00 1.54 0.01 0.00 -1.03 0.00 0.00 54.13 54.65 3kjk s LEU 21 Cb 0.00 -3.65 0.02 0.00 0.03 0.00 0.00 46.19 42.58 3kjk s LEU 21 CO 0.00 0.03 -0.11 -0.63 0.23 0.00 0.00 176.35 175.87 3kjk s ILE 22 N -1.51 1.15 -0.28 -0.59 1.01 0.10 -1.27 121.20 119.82 3kjk s ILE 22 Ca 0.44 -0.43 -0.01 0.00 0.00 0.00 0.00 60.65 60.65 3kjk s ILE 22 Cb -0.18 -1.10 0.04 0.00 0.01 0.00 0.00 42.46 41.24 3kjk s ILE 22 CO 0.22 0.37 -0.02 -0.36 0.00 0.00 0.00 174.94 175.15 3kjk s PHE 23 N 1.16 3.21 0.31 3.97 0.08 -0.24 -0.42 117.98 126.05 3kjk s PHE 23 Ca -0.05 -1.81 -0.14 0.00 0.12 0.00 0.00 56.93 55.06 3kjk s PHE 23 Cb -0.14 -2.08 -0.09 0.00 -0.57 0.00 0.00 43.02 40.14 3kjk s PHE 23 CO -0.02 -0.79 0.71 -0.51 -0.10 0.00 0.00 175.22 174.50 3kjk s LEU 24 N 1.26 4.07 0.85 -0.37 1.43 -0.10 -1.67 118.68 124.16 3kjk s LEU 24 Ca -0.04 1.21 -0.11 0.00 -1.03 0.00 0.00 54.13 54.16 3kjk s LEU 24 Cb -0.19 -4.01 0.11 0.00 0.03 0.00 0.00 46.19 42.13 3kjk s LEU 24 CO -0.02 -0.19 1.13 -0.44 0.23 0.00 0.00 176.35 177.06 3kjk s SER 25 N -2.34 3.55 0.31 2.29 0.01 -0.29 -4.18 113.70 113.05 3kjk s SER 25 Ca 0.53 2.07 0.00 0.00 1.31 0.00 0.00 55.95 59.86 3kjk s SER 25 Cb -0.10 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.57 3kjk s SER 25 CO 0.19 -2.68 0.00 0.61 0.41 0.00 0.00 173.24 171.77 3kjk n GLY 26 N -0.27 -2.88 3.64 3.44 0.00 -1.26 -4.53 105.19 103.33 3kjk n GLY 26 Ca 0.11 -0.97 -0.02 0.00 0.00 0.00 0.00 46.02 45.14 3kjk n GLY 26 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kjk s VAL 28 N -0.31 0.00 0.20 1.61 -7.23 -1.26 -4.91 120.40 108.50 3kjk s VAL 28 Ca 0.00 0.00 -0.31 0.00 -1.81 0.00 0.00 61.98 59.86 3kjk s VAL 28 Cb 0.00 -1.00 -0.10 0.00 0.56 0.00 0.00 36.38 35.84 3kjk s VAL 28 CO 0.00 0.00 1.53 -2.84 -0.31 0.00 0.00 175.10 173.48 3kjk s PRO 29 N -1.98 4.22 -0.01 4.82 0.02 -1.26 -4.78 135.00 136.02 3kjk s PRO 29 Ca 0.11 2.36 0.16 0.00 0.02 0.00 0.00 61.00 63.66 3kjk s PRO 29 Cb -0.01 -3.13 -0.22 0.00 0.02 0.00 0.00 34.50 31.16 3kjk s PRO 29 CO -0.03 -0.56 0.47 0.39 -0.33 0.00 0.00 177.00 176.95 3kjk n GLU 30 N 3.36 1.00 -3.97 5.54 1.02 -1.26 -5.02 120.64 121.31 3kjk n GLU 30 Ca 0.11 -0.09 -0.09 0.00 -0.02 0.00 0.00 57.16 57.07 3kjk n GLU 30 Cb 0.39 -1.33 -0.08 0.00 -0.02 0.00 0.00 31.44 30.40 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 -3.33 0.18 0.00 1.62 0.01 -1.26 -5.15 114.94 107.00 3kjk s ASN 31 Ca -0.01 -0.86 0.00 0.00 -0.71 0.00 0.00 52.86 51.27 3kjk s ASN 31 Cb 0.11 0.34 0.00 0.00 0.41 0.00 0.00 41.25 42.11 3kjk s ASN 31 CO 0.66 -0.77 0.00 0.61 -1.51 0.00 0.00 177.10 176.10 3kjk n GLY 32 N -0.09 -0.10 0.14 0.66 0.00 -1.26 -4.19 105.19 100.35 3kjk n GLY 32 Ca -0.11 -1.61 -0.07 0.00 0.00 0.00 0.00 46.02 44.23 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 0.24 0.23 -2.49 1.61 1.02 -1.26 -4.71 120.64 115.28 3kjk n GLU 33 Ca 0.00 0.06 -0.28 0.00 -0.02 0.00 0.00 57.16 56.92 3kjk n GLU 33 Cb 0.00 -1.13 0.01 0.00 -0.02 0.00 0.00 31.44 30.29 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 -2.18 4.60 0.24 2.62 -4.23 -1.26 -4.86 115.64 110.57 3kjk s THR 34 Ca -0.13 0.24 -0.05 0.00 -1.18 0.00 0.00 61.69 60.58 3kjk s THR 34 Cb 0.03 -3.77 0.22 0.00 1.34 0.00 0.00 72.50 70.32 3kjk s THR 34 CO 0.21 -0.80 1.71 0.00 -0.54 0.00 0.00 174.62 175.19 3kjk h ALA 35 N 0.07 0.99 -0.31 3.99 0.00 -1.94 -1.10 119.26 120.96 3kjk h ALA 35 Ca -0.46 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 3kjk h ALA 35 Cb 1.21 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3kjk h ALA 35 CO 0.61 -0.28 0.03 0.00 0.00 0.00 0.00 179.25 179.61 3kjk h ALA 36 N 1.57 0.41 -0.16 0.00 0.00 -1.93 -1.10 119.26 118.05 3kjk h ALA 36 Ca 0.41 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3kjk h ALA 36 Cb 0.67 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3kjk h ALA 36 CO -0.45 0.12 0.07 0.93 0.00 0.00 0.00 179.25 179.91 3kjk h GLU 37 N 0.33 0.23 -0.20 0.00 5.08 -1.84 -2.20 114.58 115.99 3kjk h GLU 37 Ca 0.09 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 3kjk h GLU 37 Cb 0.38 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3kjk h GLU 37 CO 0.01 0.30 -0.33 1.96 -1.00 0.00 0.00 179.01 179.95 3kjk h GLN 38 N 0.11 0.42 -0.23 2.33 4.20 -1.23 -2.31 115.11 118.40 3kjk h GLN 38 Ca 0.05 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 3kjk h GLN 38 Cb 0.15 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3kjk h GLN 38 CO -0.01 0.70 0.09 1.15 -0.67 0.00 0.00 178.83 180.09 3kjk h THR 39 N 0.36 1.17 -0.90 -0.54 2.02 -1.06 -0.05 112.91 113.92 3kjk h THR 39 Ca 0.04 -0.52 0.10 0.00 0.77 0.00 0.00 66.41 66.80 3kjk h THR 39 Cb 0.75 1.09 -0.07 0.00 -1.74 0.00 0.00 68.15 68.19 3kjk h THR 39 CO 0.06 0.17 0.58 0.00 0.37 0.00 0.00 175.52 176.70 3kjk h ALA 40 N 0.93 1.64 -0.24 6.16 0.00 -1.17 0.11 119.26 126.70 3kjk h ALA 40 Ca 0.08 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 3kjk h ALA 40 Cb 0.18 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3kjk h ALA 40 CO -0.01 0.17 -0.36 0.22 0.00 0.00 0.00 179.25 179.28 3kjk h ASP 41 N 0.88 0.73 -0.34 0.00 3.58 -1.05 -2.50 116.42 117.72 3kjk h ASP 41 Ca 0.42 -0.52 -0.05 0.00 0.42 0.00 0.00 57.03 57.30 3kjk h ASP 41 Cb 0.43 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 3kjk h ASP 41 CO -0.18 1.10 0.02 0.58 -2.88 0.00 0.00 179.24 177.89 3kjk h VAL 42 N 0.37 1.25 0.00 2.25 2.07 -0.35 -2.14 116.25 119.70 3kjk h VAL 42 Ca 0.02 -0.90 -0.07 0.00 0.82 0.00 0.00 66.70 66.57 3kjk h VAL 42 Cb 0.95 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 3kjk h VAL 42 CO 0.08 0.30 -0.32 -0.07 0.02 0.00 0.00 177.57 177.59 3kjk h LEU 43 N 0.39 0.00 -0.69 2.57 3.38 -1.05 -1.49 115.31 118.41 3kjk h LEU 43 Ca 0.10 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 3kjk h LEU 43 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3kjk h LEU 43 CO 0.01 0.32 -0.55 0.00 0.09 0.00 0.00 178.44 178.30 3kjk h ALA 44 N 1.68 0.88 -0.19 1.53 0.00 -1.15 -1.13 119.26 120.88 3kjk h ALA 44 Ca -0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 3kjk h ALA 44 Cb 0.62 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3kjk h ALA 44 CO 0.04 0.69 -0.04 1.96 0.00 0.00 0.00 179.25 181.91 3kjk h GLN 45 N 0.22 0.36 -0.75 0.00 4.20 -0.80 -2.18 115.11 116.15 3kjk h GLN 45 Ca 0.00 -0.13 0.06 0.00 0.06 0.00 0.00 58.65 58.64 3kjk h GLN 45 Cb 1.04 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.74 3kjk h GLN 45 CO 0.09 0.61 0.44 0.82 -0.67 0.00 0.00 178.83 180.12 3kjk h ILE 46 N 0.08 0.99 -0.87 2.54 2.04 -1.19 -0.37 117.51 120.74 3kjk h ILE 46 Ca 0.05 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.64 3kjk h ILE 46 Cb 0.47 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 3kjk h ILE 46 CO 0.02 0.15 0.57 0.44 0.00 0.00 0.00 178.15 179.32 3kjk h ASP 47 N 0.80 1.00 -0.28 1.72 3.32 -1.12 -0.86 116.42 121.01 3kjk h ASP 47 Ca 0.33 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 3kjk h ASP 47 Cb 0.19 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3kjk h ASP 47 CO -0.18 0.74 0.10 0.03 -1.72 0.00 0.00 179.24 178.20 3kjk h ARG 48 N 1.18 0.43 -0.08 3.56 3.08 -0.60 -2.20 114.38 119.75 3kjk h ARG 48 Ca 0.32 -0.09 -0.22 0.00 0.07 0.00 0.00 59.98 60.07 3kjk h ARG 48 Cb -0.12 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.87 3kjk h ARG 48 CO -0.07 0.47 -0.83 -1.49 -1.07 0.00 0.00 179.97 176.99 3kjk h TRP 49 N 0.30 0.79 -0.81 3.04 4.06 -0.95 -2.20 115.95 120.18 3kjk h TRP 49 Ca 0.09 -0.38 0.03 0.00 2.06 0.00 0.00 58.89 60.70 3kjk h TRP 49 Cb 0.22 -0.11 -0.05 0.00 -1.00 0.00 0.00 29.16 28.22 3kjk h TRP 49 CO 0.00 1.18 0.52 -0.07 -3.56 0.00 0.00 178.44 176.51 3kjk h LEU 50 N 0.37 0.86 -0.66 -4.49 3.38 -1.20 -1.53 115.31 112.05 3kjk h LEU 50 Ca -0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3kjk h LEU 50 Cb 1.44 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.96 3kjk h LEU 50 CO 0.15 0.60 0.35 0.00 0.09 0.00 0.00 178.44 179.63 3kjk h ALA 51 N 1.33 0.84 -0.81 1.53 0.00 -1.23 0.41 119.26 121.33 3kjk h ALA 51 Ca 0.32 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3kjk h ALA 51 Cb -0.01 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 3kjk h ALA 51 CO -0.11 0.38 0.52 0.93 0.00 0.00 0.00 179.25 180.97 3kjk h GLU 52 N 0.90 1.00 -0.06 0.00 4.39 -1.05 -2.80 114.58 116.96 3kjk h GLU 52 Ca 0.23 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.87 3kjk h GLU 52 Cb 0.07 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.49 3kjk h GLU 52 CO -0.03 0.66 0.00 0.00 -1.16 0.00 0.00 179.01 178.48 3kjk n GLY 54 N 0.90 0.36 0.00 0.00 0.00 -0.86 -4.79 105.19 100.80 3kjk n GLY 54 Ca 0.14 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 1.10 0.93 -3.46 1.61 2.88 0.14 -1.73 113.62 115.10 3kjk n SER 55 Ca -0.03 -0.98 -0.04 0.00 -1.33 0.00 0.00 58.87 56.49 3kjk n SER 55 Cb 0.53 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.99 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 -0.96 -0.08 0.66 -3.46 1.47 -1.26 -3.62 116.67 109.42 3kjk s ASP 56 Ca 0.00 -0.66 0.42 0.00 1.18 0.00 0.00 52.55 53.50 3kjk s ASP 56 Cb 0.00 0.57 2.33 0.00 -0.34 0.00 0.00 42.92 45.48 3kjk s ASP 56 CO 0.00 -1.10 2.35 0.07 0.68 0.00 0.00 175.17 177.17 3kjk h LYS 57 N 2.00 0.00 -0.07 2.11 2.10 -1.93 0.13 116.57 120.90 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 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 3kjk h LYS 57 CO 0.32 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.77 3kjk n ALA 58 N -2.12 2.57 -1.98 0.07 0.00 -1.26 -3.44 120.51 114.36 3kjk n ALA 58 Ca -0.03 -0.32 0.04 0.00 0.00 0.00 0.00 53.44 53.13 3kjk n ALA 58 Cb 0.08 -1.21 0.13 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.25 0.11 -3.42 0.00 8.25 0.44 -4.99 115.22 115.36 3kjk n HIS 59 Ca 0.16 -1.16 -0.37 0.00 -0.26 0.00 0.00 57.72 56.09 3kjk n HIS 59 Cb 0.21 -0.22 -0.06 0.00 1.12 0.00 0.00 29.99 31.04 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 -2.08 5.23 -0.14 1.59 1.01 -1.22 -1.53 120.40 123.26 3kjk s VAL 60 Ca 0.37 0.77 -0.00 0.00 0.00 0.00 0.00 61.98 63.11 3kjk s VAL 60 Cb 0.38 -3.73 -0.24 0.00 0.00 0.00 0.00 36.38 32.79 3kjk s VAL 60 CO -0.10 0.36 0.30 0.18 0.00 0.00 0.00 175.10 175.84 3kjk n LEU 61 N 3.55 2.22 -3.78 3.92 4.77 -0.45 -4.35 117.00 122.89 3kjk n LEU 61 Ca -0.09 0.17 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 3kjk n LEU 61 Cb 0.52 -0.75 -0.11 0.00 -2.33 0.00 0.00 43.42 40.75 3kjk n LEU 61 CO 0.41 0.76 -0.05 -0.62 -1.33 0.00 0.00 177.39 176.56 3kjk s ASP 62 N -6.68 -0.29 -0.08 -1.43 2.15 -0.87 -0.98 116.67 108.50 3kjk s ASP 62 Ca -0.21 0.56 -0.03 0.00 0.43 0.00 0.00 52.55 53.30 3kjk s ASP 62 Cb 0.07 0.57 0.04 0.00 -0.30 0.00 0.00 42.92 43.31 3kjk s ASP 62 CO 0.75 -0.11 0.14 0.00 -0.17 0.00 0.00 175.17 175.79 3kjk s ALA 63 N 0.12 -0.11 -0.21 3.66 0.00 0.38 -1.47 121.76 124.14 3kjk s ALA 63 Ca -0.00 0.51 -0.08 0.00 0.00 0.00 0.00 51.96 52.39 3kjk s ALA 63 Cb -0.02 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 3kjk s ALA 63 CO 0.00 -0.52 0.08 0.08 0.00 0.00 0.00 175.76 175.40 3kjk s VAL 64 N 2.19 4.74 -0.24 0.00 1.01 -0.56 -1.53 120.40 126.02 3kjk s VAL 64 Ca 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 3kjk s VAL 64 Cb -0.12 -3.17 0.03 0.00 0.00 0.00 0.00 36.38 33.12 3kjk s VAL 64 CO -0.05 0.41 -0.09 -0.63 0.00 0.00 0.00 175.10 174.75 3kjk s ILE 65 N 0.76 2.68 -0.19 2.22 1.01 0.52 -0.28 121.20 127.92 3kjk s ILE 65 Ca 0.04 -1.09 -0.11 0.00 0.00 0.00 0.00 60.65 59.49 3kjk s ILE 65 Cb -0.13 -2.36 -0.05 0.00 0.01 0.00 0.00 42.46 39.93 3kjk s ILE 65 CO 0.02 0.21 0.18 -0.31 0.00 0.00 0.00 174.94 175.04 3kjk s TYR 66 N 1.29 3.42 -0.09 3.97 2.02 0.10 -1.70 117.35 126.37 3kjk s TYR 66 Ca -0.00 0.41 0.03 0.00 -0.37 0.00 0.00 57.07 57.13 3kjk s TYR 66 Cb -0.17 -2.22 -0.02 0.00 -0.40 0.00 0.00 41.96 39.16 3kjk s TYR 66 CO -0.06 0.27 -0.16 -0.51 -1.57 0.00 0.00 175.55 173.52 3kjk s LEU 67 N 0.40 2.57 0.23 -1.29 1.43 -0.53 -1.10 118.68 120.39 3kjk s LEU 67 Ca 0.11 -0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 52.81 3kjk s LEU 67 Cb -0.12 -1.53 0.29 0.00 0.03 0.00 0.00 46.19 44.86 3kjk s LEU 67 CO -0.00 0.25 1.85 -0.09 0.23 0.00 0.00 176.35 178.58 3kjk h ARG 68 N 6.09 0.91 0.00 1.70 2.43 -1.37 0.26 114.38 124.40 3kjk h ARG 68 Ca -0.34 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 3kjk h ARG 68 Cb 1.18 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 3kjk h ARG 68 CO 0.52 0.60 0.00 -3.47 -1.51 0.00 0.00 179.97 176.10 3kjk n ASP 69 N -4.64 0.20 0.00 -3.80 4.64 -1.26 -4.52 116.55 107.17 3kjk n ASP 69 Ca 0.11 -0.36 0.00 0.00 -1.38 0.00 0.00 54.79 53.16 3kjk n ASP 69 Cb 0.15 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.23 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 0.50 0.00 1.14 0.27 0.00 -1.26 -4.35 105.19 101.49 3kjk n GLY 71 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 3.52 0.13 1.61 8.00 -1.26 -4.72 116.55 123.83 3kjk n ASP 72 Ca 0.00 -1.97 -0.13 0.00 0.71 0.00 0.00 54.79 53.40 3kjk n ASP 72 Cb 0.00 -0.32 -0.06 0.00 -0.02 0.00 0.00 41.12 40.72 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 4.06 -0.55 -0.54 1.24 3.20 -2.02 -2.88 116.97 119.48 3kjk h TYR 73 Ca 0.00 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 3kjk h TYR 73 Cb 0.94 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.41 3kjk h TYR 73 CO 0.32 -0.31 0.19 0.00 -1.64 0.00 0.00 178.16 176.73 3kjk h ALA 74 N 0.34 0.71 0.00 1.82 0.00 -1.98 -1.29 119.26 118.86 3kjk h ALA 74 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3kjk h ALA 74 Cb 0.42 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3kjk h ALA 74 CO -0.08 0.35 0.00 -1.91 0.00 0.00 0.00 179.25 177.60 3kjk n GLU 75 N -4.48 0.00 0.00 0.00 2.13 -1.09 -0.72 120.64 116.48 3kjk n GLU 75 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 3kjk n GLU 75 Cb 0.18 -0.99 0.00 0.00 0.27 0.00 0.00 31.44 30.90 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 0.49 0.00 -0.36 4.31 3.02 -0.49 -3.28 115.26 118.95 3kjk n ASN 77 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3kjk n ASN 77 Cb 0.00 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.31 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 1.42 1.10 7.41 0.00 -1.19 0.28 103.07 112.08 3kjk h GLY 78 Ca 0.00 -0.48 -0.32 0.00 0.00 0.00 0.00 47.33 46.54 3kjk h GLY 78 CO 0.00 0.40 -1.42 -2.08 0.00 0.00 0.00 176.54 173.44 3kjk h VAL 79 N 1.21 1.26 0.08 4.60 2.07 -1.84 -3.25 116.25 120.38 3kjk h VAL 79 Ca 0.39 -2.64 0.01 0.00 0.82 0.00 0.00 66.70 65.28 3kjk h VAL 79 Cb 0.02 3.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 3kjk h VAL 79 CO -0.13 0.80 -0.14 -0.25 0.02 0.00 0.00 177.57 177.87 3kjk h TRP 80 N 0.05 -0.37 -0.64 1.57 2.91 -1.83 -2.32 115.95 115.31 3kjk h TRP 80 Ca -0.26 0.01 0.08 0.00 1.13 0.00 0.00 58.89 59.85 3kjk h TRP 80 Cb 2.07 0.15 -0.04 0.00 -0.51 0.00 0.00 29.16 30.84 3kjk h TRP 80 CO 0.14 -0.21 0.43 -0.44 -1.03 0.00 0.00 178.44 177.32 3kjk h ASP 81 N -0.28 0.50 1.60 2.65 3.32 -1.08 -0.13 116.42 123.00 3kjk h ASP 81 Ca 0.02 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3kjk h ASP 81 Cb 0.30 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3kjk h ASP 81 CO -0.08 0.31 0.00 0.00 -1.72 0.00 0.00 179.24 177.75 3kjk h ALA 82 N 1.66 1.00 0.09 3.45 0.00 -1.52 -3.33 119.26 120.61 3kjk h ALA 82 Ca 0.29 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.86 3kjk h ALA 82 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3kjk h ALA 82 CO -0.09 0.00 -1.82 1.87 0.00 0.00 0.00 179.25 179.21 3kjk n TRP 83 N -2.72 1.16 -1.69 0.00 -0.00 -0.17 -4.99 117.44 109.02 3kjk n TRP 83 Ca 0.04 0.30 -0.38 0.00 -0.00 0.00 0.00 57.50 57.46 3kjk n TRP 83 Cb 0.45 -1.14 0.05 0.00 -0.00 0.00 0.00 31.31 30.66 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 -3.75 3.78 -2.60 5.87 0.24 -0.55 -4.94 118.33 116.38 3kjk n VAL 84 Ca -0.33 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.34 61.05 3kjk n VAL 84 Cb 0.95 -1.46 -0.02 0.00 -1.47 0.00 0.00 33.84 31.84 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 -1.35 3.62 0.16 2.33 0.00 -1.26 -4.98 121.76 120.27 3kjk s ALA 85 Ca 0.73 0.31 -0.34 0.00 0.00 0.00 0.00 51.96 52.66 3kjk s ALA 85 Cb -0.43 -3.54 -0.14 0.00 0.00 0.00 0.00 23.12 19.01 3kjk s ALA 85 CO 0.48 -0.97 1.57 0.00 0.00 0.00 0.00 175.76 176.85 3kjk n ALA 86 N 6.05 1.36 -0.90 0.00 0.00 -1.26 -0.89 120.51 124.86 3kjk n ALA 86 Ca 0.12 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.00 3kjk n ALA 86 Cb 0.46 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.56 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 3.37 0.83 2.67 0.00 0.00 -1.26 -4.82 105.19 105.98 3kjk n GLY 87 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 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 1.97 -2.79 1.61 1.74 -0.07 -5.09 116.66 112.02 3kjk n ARG 88 Ca 0.00 -3.60 -0.39 0.00 -0.77 0.00 0.00 57.85 53.09 3kjk n ARG 88 Cb 0.00 -1.67 -0.06 0.00 -1.02 0.00 0.00 32.46 29.71 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 -3.87 4.17 0.79 0.55 -4.23 -1.16 -4.47 115.64 107.42 3kjk s THR 89 Ca 0.32 1.93 -0.11 0.00 -1.18 0.00 0.00 61.69 62.65 3kjk s THR 89 Cb 0.36 -4.18 0.09 0.00 1.34 0.00 0.00 72.50 70.11 3kjk s THR 89 CO -0.02 0.36 1.15 -2.16 -0.54 0.00 0.00 174.62 173.41 3kjk s PRO 90 N -1.53 1.91 0.30 3.99 0.04 -1.26 -5.02 135.00 133.43 3kjk s PRO 90 Ca 0.44 -0.04 -0.29 0.00 0.04 0.00 0.00 61.00 61.15 3kjk s PRO 90 Cb -0.23 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.21 3kjk s PRO 90 CO 0.28 -1.57 1.33 0.00 0.04 0.00 0.00 177.00 177.08 3kjk s ALA 91 N -3.52 3.53 0.02 8.56 0.00 -0.15 -4.90 121.76 125.29 3kjk s ALA 91 Ca 0.63 1.26 0.01 0.00 0.00 0.00 0.00 51.96 53.85 3kjk s ALA 91 Cb -0.10 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 3kjk s ALA 91 CO 0.48 -0.65 -0.03 0.50 0.00 0.00 0.00 175.76 176.06 3kjk s ARG 92 N -1.32 0.27 0.01 0.00 3.52 -1.26 -0.47 118.95 119.71 3kjk s ARG 92 Ca 0.52 -0.42 0.01 0.00 -0.13 0.00 0.00 55.73 55.71 3kjk s ARG 92 Cb -0.40 -0.05 -0.01 0.00 -1.56 0.00 0.00 34.95 32.94 3kjk s ARG 92 CO 0.49 -0.00 -0.03 0.00 -0.81 0.00 0.00 175.30 174.95 3kjk s ALA 93 N -0.89 0.24 -0.09 6.12 0.00 -0.58 -4.98 121.76 121.58 3kjk s ALA 93 Ca -0.09 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.58 3kjk s ALA 93 Cb -0.06 0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.08 3kjk s ALA 93 CO -0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 175.76 175.69 3kjk s VAL 95 N 1.42 0.39 -0.27 0.00 -7.23 -0.69 -4.99 120.40 109.04 3kjk s VAL 95 Ca -0.01 -1.97 -0.10 0.00 -1.81 0.00 0.00 61.98 58.08 3kjk s VAL 95 Cb -0.13 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 3kjk s VAL 95 CO -0.04 -0.27 0.17 -0.70 -0.31 0.00 0.00 175.10 173.94 3kjk s GLU 96 N -4.02 3.93 -0.17 4.82 2.12 -1.26 -1.46 118.70 122.67 3kjk s GLU 96 Ca 0.30 -0.33 -0.12 0.00 0.36 0.00 0.00 54.97 55.18 3kjk s GLU 96 Cb 0.07 -3.60 0.05 0.00 0.26 0.00 0.00 34.13 30.91 3kjk s GLU 96 CO 0.07 -0.14 0.42 0.00 -0.54 0.00 0.00 175.26 175.07 3kjk s ALA 97 N 1.63 -1.07 0.46 6.30 0.00 0.08 -4.91 121.76 124.24 3kjk s ALA 97 Ca 0.07 1.40 -0.23 0.00 0.00 0.00 0.00 51.96 53.20 3kjk s ALA 97 Cb -0.15 -0.84 -0.07 0.00 0.00 0.00 0.00 23.12 22.05 3kjk s ALA 97 CO 0.09 -0.24 1.20 1.03 0.00 0.00 0.00 175.76 177.84 3kjk s ARG 98 N 0.88 3.74 0.55 0.00 0.52 -1.26 -3.50 118.95 119.88 3kjk s ARG 98 Ca -0.05 1.87 0.07 0.00 -0.52 0.00 0.00 55.73 57.09 3kjk s ARG 98 Cb -0.06 -2.46 0.07 0.00 0.52 0.00 0.00 34.95 33.02 3kjk s ARG 98 CO -0.07 -0.59 0.54 1.28 0.02 0.00 0.00 175.30 176.48 3kjk n LEU 99 N -0.42 0.00 0.23 2.53 4.77 -1.26 -5.00 117.00 117.85 3kjk n LEU 99 Ca 0.07 -2.69 0.07 0.00 -0.03 0.00 0.00 56.01 53.43 3kjk n LEU 99 Cb 0.47 -0.18 0.56 0.00 -2.33 0.00 0.00 43.42 41.94 3kjk n LEU 99 CO 0.49 -0.63 0.90 0.00 -1.33 0.00 0.00 177.39 176.83 3kjk h ALA 100 N 0.48 1.53 -4.01 -1.18 0.00 -1.96 -3.41 119.26 110.71 3kjk h ALA 100 Ca -0.32 -0.17 -0.69 0.00 0.00 0.00 0.00 54.91 53.74 3kjk h ALA 100 Cb 1.24 -0.03 -0.23 0.00 0.00 0.00 0.00 17.79 18.77 3kjk h ALA 100 CO 0.48 0.23 -0.86 1.03 0.00 0.00 0.00 179.25 180.14 3kjk s ARG 101 N -4.44 1.65 0.45 0.00 1.81 -1.26 -5.04 118.95 112.11 3kjk s ARG 101 Ca -0.03 -1.21 0.17 0.00 -1.72 0.00 0.00 55.73 52.93 3kjk s ARG 101 Cb 0.15 -1.99 1.03 0.00 -0.45 0.00 0.00 34.95 33.70 3kjk s ARG 101 CO 0.66 0.48 1.97 -1.35 -0.68 0.00 0.00 175.30 176.39 3kjk h PRO 102 N 4.21 0.00 -0.00 3.54 0.11 -2.02 -2.89 132.00 134.94 3kjk h PRO 102 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 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 0.21 -0.06 0.39 -0.21 0.00 0.00 178.00 178.75 3kjk n GLU 103 N -4.13 0.05 -2.73 1.05 4.71 -1.26 -4.76 120.64 113.58 3kjk n GLU 103 Ca -0.02 -0.01 -0.43 0.00 -0.01 0.00 0.00 57.16 56.70 3kjk n GLU 103 Cb 0.28 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.18 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 -2.95 3.21 -0.54 -0.32 0.51 -1.09 -4.91 118.94 112.84 3kjk s TRP 104 Ca 0.15 1.16 0.22 0.00 -2.12 0.00 0.00 56.10 55.51 3kjk s TRP 104 Cb 0.19 -3.46 -0.11 0.00 -0.81 0.00 0.00 33.47 29.28 3kjk s TRP 104 CO 0.54 -0.64 0.86 0.54 -0.51 0.00 0.00 176.95 177.75 3kjk n ARG 105 N 6.55 0.33 -3.70 4.98 1.74 -1.26 -4.58 116.66 120.71 3kjk n ARG 105 Ca 0.10 -0.05 -0.13 0.00 -0.77 0.00 0.00 57.85 56.99 3kjk n ARG 105 Cb 0.47 -1.56 -0.09 0.00 -1.02 0.00 0.00 32.46 30.26 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 -3.24 0.00 -0.04 1.55 0.11 -1.26 -1.70 120.40 115.82 3kjk s VAL 106 Ca 0.02 -0.01 -0.02 0.00 -2.93 0.00 0.00 61.98 59.03 3kjk s VAL 106 Cb 0.14 -0.70 0.02 0.00 -1.53 0.00 0.00 36.38 34.32 3kjk s VAL 106 CO 0.84 -0.01 0.09 -0.70 -3.33 0.00 0.00 175.10 172.00 3kjk s GLU 107 N 0.20 0.06 -0.09 1.54 2.12 -0.25 -4.18 118.70 118.10 3kjk s GLU 107 Ca -0.00 0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.56 3kjk s GLU 107 Cb -0.03 -0.10 0.01 0.00 0.26 0.00 0.00 34.13 34.27 3kjk s GLU 107 CO 0.01 -0.10 -0.14 0.42 -0.54 0.00 0.00 175.26 174.91 3kjk s ILE 108 N 0.67 1.35 -0.22 -3.70 1.01 -1.26 0.01 121.20 119.06 3kjk s ILE 108 Ca -0.05 -0.57 -0.04 0.00 0.00 0.00 0.00 60.65 59.99 3kjk s ILE 108 Cb -0.07 -1.24 -0.01 0.00 0.01 0.00 0.00 42.46 41.15 3kjk s ILE 108 CO -0.03 0.41 -0.03 -0.75 0.00 0.00 0.00 174.94 174.54 3kjk s LYS 109 N 0.91 3.41 -0.07 2.79 2.20 0.62 -4.47 119.74 125.13 3kjk s LYS 109 Ca -0.09 -0.61 0.02 0.00 -0.36 0.00 0.00 55.97 54.93 3kjk s LYS 109 Cb -0.15 -3.02 -0.03 0.00 -1.51 0.00 0.00 37.83 33.12 3kjk s LYS 109 CO 0.00 -0.17 -0.11 0.42 -0.36 0.00 0.00 175.35 175.13 3kjk s ILE 110 N 1.42 3.34 -0.08 5.43 -1.09 -1.26 -1.50 121.20 127.45 3kjk s ILE 110 Ca 0.05 -0.61 0.05 0.00 -2.23 0.00 0.00 60.65 57.91 3kjk s ILE 110 Cb -0.14 -2.35 -0.00 0.00 -1.58 0.00 0.00 42.46 38.38 3kjk s ILE 110 CO -0.02 0.58 -0.23 -0.89 -1.23 0.00 0.00 174.94 173.14 3kjk s THR 111 N -0.54 1.99 0.30 2.92 2.01 -0.54 -0.92 115.64 120.86 3kjk s THR 111 Ca 0.08 -1.00 0.04 0.00 0.31 0.00 0.00 61.69 61.12 3kjk s THR 111 Cb -0.12 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 3kjk s THR 111 CO 0.02 0.55 0.27 0.00 -0.69 0.00 0.00 174.62 174.77 3kjk s ALA 112 N 0.21 1.52 0.06 7.40 0.00 0.44 -1.34 121.76 130.05 3kjk s ALA 112 Ca -0.14 -1.90 0.07 0.00 0.00 0.00 0.00 51.96 50.00 3kjk s ALA 112 Cb -0.17 1.41 -0.03 0.00 0.00 0.00 0.00 23.12 24.34 3kjk s ALA 112 CO 0.07 -0.67 -0.20 0.54 0.00 0.00 0.00 175.76 175.50 3kjk s VAL 113 N -3.58 1.63 0.37 0.00 0.11 -0.58 0.02 120.40 118.36 3kjk s VAL 113 Ca 0.39 -1.28 -0.28 0.00 -2.93 0.00 0.00 61.98 57.88 3kjk s VAL 113 Cb 0.03 -1.44 -0.10 0.00 -1.53 0.00 0.00 36.38 33.34 3kjk s VAL 113 CO 0.23 0.11 1.38 -0.54 -3.33 0.00 0.00 175.10 172.94 3kjk s LYS 114 N -1.39 4.15 0.49 1.54 1.02 0.44 -4.65 119.74 121.34 3kjk s LYS 114 Ca 0.07 2.35 -0.22 0.00 0.02 0.00 0.00 55.97 58.19 3kjk s LYS 114 Cb -0.09 -2.95 -0.07 0.00 -0.52 0.00 0.00 37.83 34.21 3kjk s LYS 114 CO 0.02 -0.42 1.17 1.03 -0.92 0.00 0.00 175.35 176.24 3kjk s ARG 115 N -2.03 3.59 0.00 1.68 0.52 -0.70 -5.00 118.95 117.00 3kjk s ARG 115 Ca 0.53 1.76 0.29 0.00 -0.52 0.00 0.00 55.73 57.79 3kjk s ARG 115 Cb -0.42 -2.28 1.28 0.00 0.52 0.00 0.00 34.95 34.05 3kjk s ARG 115 CO 0.56 -0.69 1.87 -0.25 0.02 0.00 0.00 175.30 176.81