#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnk s ASP 2 N 0.00 4.12 -0.17 7.83 1.01 -1.26 -4.62 116.67 123.58 2jnk s ASP 2 Ca 0.00 -0.96 0.00 0.00 0.71 0.00 0.00 52.55 52.30 2jnk s ASP 2 Cb 0.00 -0.53 0.00 0.00 1.01 0.00 0.00 42.92 43.40 2jnk s ASP 2 CO 0.00 -0.16 0.00 0.29 0.21 0.00 0.00 175.17 175.51 2jnk n LYS 3 N -0.89 -1.19 -0.03 8.23 5.02 -1.26 -4.83 118.16 123.22 2jnk n LYS 3 Ca -0.05 0.38 -0.13 0.00 -2.02 0.00 0.00 58.31 56.50 2jnk n LYS 3 Cb 0.62 -4.32 -0.14 0.00 -0.02 0.00 0.00 35.03 31.16 2jnk n LYS 3 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2jnk n THR 4 N -2.42 1.62 -0.56 -0.18 -1.04 -1.26 -4.18 114.28 106.27 2jnk n THR 4 Ca -0.02 -0.76 0.46 0.00 -2.04 0.00 0.00 64.05 61.70 2jnk n THR 4 Cb 0.32 -1.17 0.78 0.00 -1.82 0.00 0.00 70.33 68.44 2jnk n THR 4 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 2jnk h ASN 5 N 0.02 0.04 0.01 8.00 -0.00 -1.90 0.31 115.58 122.05 2jnk h ASN 5 Ca -0.37 0.02 -0.00 0.00 -0.00 0.00 0.00 56.30 55.95 2jnk h ASN 5 Cb 2.04 0.02 0.00 0.00 -0.00 0.00 0.00 38.32 40.38 2jnk h ASN 5 CO 0.07 -0.02 -0.00 -0.07 -0.00 0.00 0.00 177.43 177.40 2jnk h LEU 6 N 0.02 -0.01 -1.52 0.34 -0.00 -1.96 -1.61 115.31 110.57 2jnk h LEU 6 Ca 0.81 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 58.73 2jnk h LEU 6 Cb 3.16 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 43.81 2jnk h LEU 6 CO -0.06 0.04 0.55 1.23 -0.00 0.00 0.00 178.44 180.19 2jnk h GLY 7 N -0.10 0.00 0.53 0.83 0.00 -1.51 1.52 103.07 104.34 2jnk h GLY 7 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 2jnk h GLY 7 CO 0.00 0.00 -1.55 -1.84 0.00 0.00 0.00 176.54 173.16 2jnk n GLU 8 N -2.97 0.63 -0.03 4.80 0.28 0.10 -2.57 120.64 120.90 2jnk n GLU 8 Ca 0.02 -0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.08 2jnk n GLU 8 Cb 0.62 -1.68 -0.17 0.00 1.43 0.00 0.00 31.44 31.64 2jnk n GLU 8 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2jnk n LEU 9 N -2.54 0.00 -0.06 -1.84 4.77 0.29 -4.47 117.00 113.15 2jnk n LEU 9 Ca -0.05 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.76 2jnk n LEU 9 Cb 0.63 0.09 -0.13 0.00 -2.33 0.00 0.00 43.42 41.68 2jnk n LEU 9 CO 0.43 0.09 -1.00 2.30 -1.33 0.00 0.00 177.39 177.88 2jnk n ILE 10 N -2.35 1.62 -0.32 -0.08 -5.35 0.44 -3.33 119.36 109.99 2jnk n ILE 10 Ca -0.09 -0.66 0.09 0.00 -0.27 0.00 0.00 62.75 61.81 2jnk n ILE 10 Cb 0.68 -1.41 0.20 0.00 -1.74 0.00 0.00 39.64 37.37 2jnk n ILE 10 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2jnk h ASN 11 N 0.03 -0.61 0.77 7.28 -1.07 -1.63 1.00 115.58 121.34 2jnk h ASN 11 Ca -0.47 0.26 -0.21 0.00 0.07 0.00 0.00 56.30 55.94 2jnk h ASN 11 Cb 2.01 0.50 -0.02 0.00 -2.07 0.00 0.00 38.32 38.74 2jnk h ASN 11 CO 0.02 -0.30 -0.99 0.06 0.07 0.00 0.00 177.43 176.29 2jnk h GLN 12 N 0.02 0.12 0.22 4.14 3.07 -1.79 -3.16 115.11 117.73 2jnk h GLN 12 Ca 0.50 -0.17 -0.01 0.00 0.09 0.00 0.00 58.65 59.06 2jnk h GLN 12 Cb 0.91 0.06 -0.00 0.00 0.08 0.00 0.00 27.48 28.52 2jnk h GLN 12 CO -0.89 1.01 -0.17 0.78 0.09 0.00 0.00 178.83 179.65 2jnk h GLY 13 N 2.26 -0.79 1.60 0.06 0.00 0.96 1.39 103.07 108.56 2jnk h GLY 13 Ca -0.05 0.34 0.05 0.00 0.00 0.00 0.00 47.33 47.67 2jnk h GLY 13 CO 0.14 -0.27 0.16 0.07 0.00 0.00 0.00 176.54 176.64 2jnk h LYS 14 N -0.38 0.09 0.00 4.80 -0.00 -1.28 0.30 116.57 120.10 2jnk h LYS 14 Ca -0.03 -0.01 -0.10 0.00 -0.00 0.00 0.00 60.65 60.51 2jnk h LYS 14 Cb 0.32 -0.02 -0.01 0.00 -0.00 0.00 0.00 32.23 32.51 2jnk h LYS 14 CO 0.00 0.06 -0.48 1.03 -0.00 0.00 0.00 179.45 180.06 2jnk h SER 15 N 0.09 0.00 0.09 7.07 0.87 -1.45 -2.49 113.55 117.73 2jnk h SER 15 Ca 0.10 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2jnk h SER 15 Cb 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2jnk h SER 15 CO -0.01 0.48 -0.04 0.25 -0.53 0.00 0.00 176.83 176.98 2jnk h LEU 16 N 0.00 -0.11 -1.42 2.23 5.85 0.52 -2.93 115.31 119.46 2jnk h LEU 16 Ca -0.00 -0.29 0.26 0.00 0.84 0.00 0.00 57.88 58.68 2jnk h LEU 16 Cb 1.19 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 42.16 2jnk h LEU 16 CO 0.06 0.50 0.67 -0.07 -0.34 0.00 0.00 178.44 179.26 2jnk h LEU 17 N -0.99 0.42 0.76 2.25 3.38 -0.66 -0.30 115.31 120.18 2jnk h LEU 17 Ca -0.01 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2jnk h LEU 17 Cb 0.39 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.15 2jnk h LEU 17 CO 0.02 0.10 -0.37 0.44 0.09 0.00 0.00 178.44 178.72 2jnk h ASP 18 N 0.38 -0.87 0.46 -0.43 3.32 -1.49 -3.36 116.42 114.44 2jnk h ASP 18 Ca 0.57 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.63 2jnk h ASP 18 Cb 1.48 0.22 0.00 0.00 0.22 0.00 0.00 39.33 41.26 2jnk h ASP 18 CO -0.26 -0.57 -0.23 -0.33 -1.72 0.00 0.00 179.24 176.14 2jnk h GLU 19 N -1.13 -0.60 -5.26 3.56 4.39 -1.15 -3.36 114.58 111.03 2jnk h GLU 19 Ca -0.10 0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 2jnk h GLU 19 Cb 0.78 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.57 2jnk h GLU 19 CO 0.17 -0.40 0.08 -1.54 -1.16 0.00 0.00 179.01 176.16 2jnk s SER 20 N -2.93 3.74 0.14 1.42 1.04 -0.20 -4.89 113.70 112.02 2jnk s SER 20 Ca -0.09 -0.45 -0.11 0.00 0.48 0.00 0.00 55.95 55.78 2jnk s SER 20 Cb 0.01 -2.57 -0.06 0.00 0.10 0.00 0.00 66.02 63.49 2jnk s SER 20 CO 0.28 -4.23 0.48 0.54 0.98 0.00 0.00 173.24 171.29 2jnk s VAL 21 N 15.59 4.98 -0.45 5.02 0.11 -1.23 -4.73 120.40 139.70 2jnk s VAL 21 Ca 0.87 0.56 -0.28 0.00 -2.93 0.00 0.00 61.98 60.19 2jnk s VAL 21 Cb -0.09 -3.67 0.01 0.00 -1.53 0.00 0.00 36.38 31.10 2jnk s VAL 21 CO 0.12 0.18 1.45 -1.83 -3.33 0.00 0.00 175.10 171.69 2jnk s GLU 22 N -2.18 3.47 0.00 1.54 4.04 -1.25 -1.29 118.70 123.02 2jnk s GLU 22 Ca 0.38 0.85 0.00 0.00 0.04 0.00 0.00 54.97 56.25 2jnk s GLU 22 Cb -0.14 -4.07 0.00 0.00 0.02 0.00 0.00 34.13 29.94 2jnk s GLU 22 CO 0.20 -1.70 0.00 0.41 -1.84 0.00 0.00 175.26 172.32 2jnk n GLY 23 N 5.17 0.24 0.00 -3.83 0.00 0.84 -4.79 105.19 102.81 2jnk n GLY 23 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2jnk n GLY 23 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jnk n PHE 24 N -0.58 0.00 -3.73 1.61 3.72 -1.25 -4.71 117.46 112.52 2jnk n PHE 24 Ca 0.00 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.44 2jnk n PHE 24 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2jnk n PHE 24 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2jnk s ASN 25 N 0.00 -0.01 0.10 4.37 2.47 -1.13 -4.62 114.94 116.12 2jnk s ASN 25 Ca 0.00 -0.04 -0.35 0.00 0.42 0.00 0.00 52.86 52.88 2jnk s ASN 25 Cb 0.00 0.04 -0.17 0.00 -1.45 0.00 0.00 41.25 39.67 2jnk s ASN 25 CO 0.00 -0.08 1.10 0.55 -3.72 0.00 0.00 177.10 174.95 2jnk n VAL 26 N -0.67 0.53 -0.07 -5.21 3.14 -1.26 0.37 118.33 115.16 2jnk n VAL 26 Ca -0.04 -0.13 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 2jnk n VAL 26 Cb 0.62 -0.47 0.00 0.00 -1.06 0.00 0.00 33.84 32.92 2jnk n VAL 26 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2jnk n GLY 27 N 1.97 1.53 3.03 7.55 0.00 -0.63 -4.99 105.19 113.65 2jnk n GLY 27 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 2jnk n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jnk s GLU 28 N -0.45 0.18 0.59 1.61 8.01 0.16 -3.47 118.70 125.33 2jnk s GLU 28 Ca 0.00 0.40 0.04 0.00 0.01 0.00 0.00 54.97 55.42 2jnk s GLU 28 Cb 0.00 -0.05 0.08 0.00 -4.31 0.00 0.00 34.13 29.84 2jnk s GLU 28 CO 0.00 -0.11 0.82 1.52 0.01 0.00 0.00 175.26 177.50 2jnk s TYR 29 N 0.82 2.01 -0.02 1.61 1.13 -0.41 -2.84 117.35 119.66 2jnk s TYR 29 Ca -0.06 -0.36 -0.02 0.00 -1.41 0.00 0.00 57.07 55.22 2jnk s TYR 29 Cb -0.07 -2.62 -0.01 0.00 -1.10 0.00 0.00 41.96 38.16 2jnk s TYR 29 CO -0.05 -1.16 0.20 1.25 -2.51 0.00 0.00 175.55 173.29 2jnk h HIS 30 N -0.01 -0.05 -1.13 -3.49 -0.00 -1.84 2.49 115.15 111.12 2jnk h HIS 30 Ca -0.36 -0.00 0.21 0.00 -0.00 0.00 0.00 60.37 60.21 2jnk h HIS 30 Cb 1.28 0.02 -0.29 0.00 -0.00 0.00 0.00 27.41 28.42 2jnk h HIS 30 CO 0.20 -0.03 0.88 0.21 -0.00 0.00 0.00 177.93 179.19 2jnk s LYS 31 N -1.59 0.12 0.00 5.26 2.20 -1.26 -4.35 119.74 120.12 2jnk s LYS 31 Ca -0.01 0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.66 2jnk s LYS 31 Cb 0.00 0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.38 2jnk s LYS 31 CO 0.03 -0.03 0.00 0.41 -0.36 0.00 0.00 175.35 175.39 2jnk n GLY 32 N 0.89 3.13 0.40 5.54 0.00 -1.26 -4.94 105.19 108.94 2jnk n GLY 32 Ca -0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 2jnk n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jnk h ALA 33 N 0.00 -1.17 -0.00 4.61 0.00 -1.94 -3.28 119.26 117.48 2jnk h ALA 33 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2jnk h ALA 33 Cb 0.00 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2jnk h ALA 33 CO 0.00 -1.15 0.00 1.63 0.00 0.00 0.00 179.25 179.73 2jnk n LYS 34 N -4.81 0.00 -0.21 0.00 4.76 -1.26 -0.89 118.16 115.75 2jnk n LYS 34 Ca -0.11 0.73 0.06 0.00 -2.87 0.00 0.00 58.31 56.11 2jnk n LYS 34 Cb 0.39 -1.09 0.12 0.00 -1.84 0.00 0.00 35.03 32.61 2jnk n LYS 34 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2jnk n ASP 35 N -2.72 -0.16 0.00 4.39 -0.08 -1.24 0.17 116.55 116.91 2jnk n ASP 35 Ca 0.00 1.03 0.00 0.00 -1.51 0.00 0.00 54.79 54.31 2jnk n ASP 35 Cb 0.00 -0.34 0.00 0.00 2.34 0.00 0.00 41.12 43.12 2jnk n ASP 35 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jnk n GLY 36 N -1.35 -2.62 0.33 0.27 0.00 -0.07 0.51 105.19 102.26 2jnk n GLY 36 Ca 0.11 0.09 0.19 0.00 0.00 0.00 0.00 46.02 46.41 2jnk n GLY 36 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jnk h LEU 37 N 0.00 0.00 0.11 0.99 5.85 -1.11 0.18 115.31 121.34 2jnk h LEU 37 Ca 0.00 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.42 2jnk h LEU 37 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2jnk h LEU 37 CO 0.00 0.00 -1.46 0.74 -0.34 0.00 0.00 178.44 177.38 2jnk h THR 38 N 0.00 1.23 0.00 1.05 2.02 0.23 -2.08 112.91 115.35 2jnk h THR 38 Ca 0.03 -2.86 -0.00 0.00 0.77 0.00 0.00 66.41 64.34 2jnk h THR 38 Cb 0.32 2.79 -0.00 0.00 -1.74 0.00 0.00 68.15 69.52 2jnk h THR 38 CO -0.00 0.83 -0.01 0.58 0.37 0.00 0.00 175.52 177.28 2jnk h VAL 39 N 0.06 0.06 0.00 3.16 2.07 1.52 1.43 116.25 124.56 2jnk h VAL 39 Ca -0.22 -0.26 -0.21 0.00 0.82 0.00 0.00 66.70 66.83 2jnk h VAL 39 Cb 2.00 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 32.97 2jnk h VAL 39 CO 0.17 0.01 -1.87 -1.84 0.02 0.00 0.00 177.57 174.06 2jnk n GLU 40 N -3.15 0.65 -0.04 1.57 0.28 -0.70 -3.36 120.64 115.90 2jnk n GLU 40 Ca -0.01 0.07 -0.03 0.00 -0.16 0.00 0.00 57.16 57.02 2jnk n GLU 40 Cb 0.18 -1.66 -0.03 0.00 1.43 0.00 0.00 31.44 31.37 2jnk n GLU 40 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 2jnk h ILE 41 N 0.00 0.36 -0.94 3.84 1.08 -0.28 1.72 117.51 123.30 2jnk h ILE 41 Ca -0.27 -1.23 0.25 0.00 -0.39 0.00 0.00 64.86 63.23 2jnk h ILE 41 Cb 1.71 0.67 -0.13 0.00 -3.07 0.00 0.00 36.82 36.00 2jnk h ILE 41 CO 0.03 0.12 0.45 0.78 -0.69 0.00 0.00 178.15 178.84 2jnk h ASN 42 N -1.00 0.39 0.01 1.72 2.35 0.17 0.95 115.58 120.15 2jnk h ASN 42 Ca -0.00 0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.89 2jnk h ASN 42 Cb 0.23 0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.73 2jnk h ASN 42 CO 0.01 -0.03 -0.10 0.50 -1.65 0.00 0.00 177.43 176.15 2jnk h LYS 43 N 0.39 0.06 0.74 0.81 1.63 -1.62 -3.16 116.57 115.42 2jnk h LYS 43 Ca 0.61 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 60.31 2jnk h LYS 43 Cb 1.23 0.02 0.01 0.00 -0.60 0.00 0.00 32.23 32.89 2jnk h LYS 43 CO -0.55 0.89 -0.35 0.00 -3.45 0.00 0.00 179.45 175.98 2jnk h ALA 44 N 0.17 -0.99 -1.04 5.00 0.00 0.44 -2.66 119.26 120.18 2jnk h ALA 44 Ca -0.01 -0.22 0.26 0.00 0.00 0.00 0.00 54.91 54.94 2jnk h ALA 44 Cb 0.93 0.38 -0.09 0.00 0.00 0.00 0.00 17.79 19.01 2jnk h ALA 44 CO 0.02 -1.03 0.67 0.93 0.00 0.00 0.00 179.25 179.83 2jnk h GLU 45 N -1.03 0.39 0.00 0.00 5.08 0.67 2.05 114.58 121.73 2jnk h GLU 45 Ca -0.10 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2jnk h GLU 45 Cb 0.77 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 2jnk h GLU 45 CO 0.17 0.26 -0.06 0.93 -1.00 0.00 0.00 179.01 179.30 2jnk h GLU 46 N 0.40 0.00 0.04 2.33 5.08 -1.44 -2.13 114.58 118.86 2jnk h GLU 46 Ca 0.60 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.58 2jnk h GLU 46 Cb 1.49 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.69 2jnk h GLU 46 CO -0.30 0.06 -2.22 0.28 -1.00 0.00 0.00 179.01 175.83 2jnk n VAL 47 N -3.62 1.59 -0.24 3.13 0.31 0.62 -3.48 118.33 116.63 2jnk n VAL 47 Ca -0.02 -0.51 0.05 0.00 -0.01 0.00 0.00 64.34 63.85 2jnk n VAL 47 Cb 0.17 -1.66 0.17 0.00 -0.91 0.00 0.00 33.84 31.62 2jnk n VAL 47 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 2jnk h PHE 48 N -0.25 0.19 -0.40 3.52 3.57 0.97 0.63 116.94 125.17 2jnk h PHE 48 Ca -0.53 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.01 2jnk h PHE 48 Cb 1.83 0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.60 2jnk h PHE 48 CO 0.03 -0.12 0.00 0.09 -2.23 0.00 0.00 178.31 176.08 2jnk n ASN 49 N -5.20 2.40 -4.91 0.41 5.03 -0.82 -4.93 115.26 107.23 2jnk n ASN 49 Ca 0.13 -1.94 -0.27 0.00 0.87 0.00 0.00 54.58 53.37 2jnk n ASN 49 Cb 0.45 -0.26 0.00 0.00 -1.02 0.00 0.00 39.78 38.95 2jnk n ASN 49 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 2jnk s LYS 50 N -1.47 3.46 -0.10 3.52 2.20 0.22 -5.01 119.74 122.56 2jnk s LYS 50 Ca 0.32 0.14 0.15 0.00 -0.36 0.00 0.00 55.97 56.22 2jnk s LYS 50 Cb 0.17 -2.38 -0.23 0.00 -1.51 0.00 0.00 37.83 33.88 2jnk s LYS 50 CO 0.23 -0.25 0.44 0.39 -0.36 0.00 0.00 175.35 175.80 2jnk n GLU 51 N -2.28 0.65 -0.15 4.03 4.71 -1.26 -3.79 120.64 122.56 2jnk n GLU 51 Ca 0.01 0.16 0.02 0.00 -0.01 0.00 0.00 57.16 57.34 2jnk n GLU 51 Cb 0.55 -1.68 0.08 0.00 -1.01 0.00 0.00 31.44 29.38 2jnk n GLU 51 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2jnk n ASP 52 N -2.90 1.54 -2.42 1.62 9.92 -1.26 -4.30 116.55 118.75 2jnk n ASP 52 Ca -0.22 -2.12 -0.16 0.00 -0.53 0.00 0.00 54.79 51.76 2jnk n ASP 52 Cb 1.07 -0.37 -0.11 0.00 -0.64 0.00 0.00 41.12 41.07 2jnk n ASP 52 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jnk n ALA 53 N 0.06 5.70 -2.05 2.24 0.00 -1.25 -3.13 120.51 122.09 2jnk n ALA 53 Ca 0.06 -1.90 0.00 0.00 0.00 0.00 0.00 53.44 51.60 2jnk n ALA 53 Cb 0.33 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.21 2jnk n ALA 53 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jnk n THR 54 N 2.94 0.00 0.82 0.00 -2.24 -1.26 -4.50 114.28 110.04 2jnk n THR 54 Ca 0.44 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.35 2jnk n THR 54 Cb 0.59 0.00 0.52 0.00 -2.10 0.00 0.00 70.33 69.35 2jnk n THR 54 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jnk n GLU 55 N 0.00 0.10 -0.05 -0.78 1.02 -1.26 -3.29 120.64 116.38 2jnk n GLU 55 Ca 0.00 0.11 -0.04 0.00 -0.02 0.00 0.00 57.16 57.20 2jnk n GLU 55 Cb 0.00 -1.62 -0.01 0.00 -0.02 0.00 0.00 31.44 29.78 2jnk n GLU 55 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2jnk n GLU 56 N -1.80 0.29 -0.09 3.49 1.02 -1.26 -4.59 120.64 117.70 2jnk n GLU 56 Ca 0.06 0.19 -0.07 0.00 -0.02 0.00 0.00 57.16 57.32 2jnk n GLU 56 Cb 0.36 -1.09 0.11 0.00 -0.02 0.00 0.00 31.44 30.80 2jnk n GLU 56 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2jnk h GLU 57 N -0.56 0.77 0.14 3.49 4.57 -1.73 -2.96 114.58 118.31 2jnk h GLU 57 Ca 0.00 -0.28 -0.01 0.00 -1.18 0.00 0.00 59.36 57.89 2jnk h GLU 57 Cb 0.50 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.04 2jnk h GLU 57 CO 0.00 0.89 -0.08 0.82 -1.18 0.00 0.00 179.01 179.46 2jnk h ILE 58 N 0.69 0.00 -0.66 2.32 2.04 -1.77 1.11 117.51 121.24 2jnk h ILE 58 Ca 0.11 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.16 2jnk h ILE 58 Cb 0.66 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 2jnk h ILE 58 CO 0.05 0.00 0.58 0.78 0.00 0.00 0.00 178.15 179.56 2jnk h ASN 59 N -0.20 0.00 0.53 1.72 2.35 -1.78 1.28 115.58 119.47 2jnk h ASN 59 Ca -0.02 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.51 2jnk h ASN 59 Cb 0.16 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 2jnk h ASN 59 CO 0.02 0.00 -0.98 -0.07 -1.65 0.00 0.00 177.43 174.75 2jnk h LEU 60 N 0.00 0.37 0.00 1.61 3.38 -1.22 -3.19 115.31 116.25 2jnk h LEU 60 Ca 0.31 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jnk h LEU 60 Cb 1.46 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2jnk h LEU 60 CO -0.00 1.15 -1.14 0.00 0.09 0.00 0.00 178.44 178.54 2jnk n ALA 61 N -2.50 2.80 0.09 1.53 0.00 0.38 -4.13 120.51 118.67 2jnk n ALA 61 Ca -0.05 -0.32 -0.07 0.00 0.00 0.00 0.00 53.44 53.00 2jnk n ALA 61 Cb 0.87 -1.03 0.02 0.00 0.00 0.00 0.00 19.45 19.31 2jnk n ALA 61 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2jnk h LYS 62 N 0.00 0.14 -0.16 0.00 2.10 0.11 -3.20 116.57 115.57 2jnk h LYS 62 Ca 0.00 -0.15 0.02 0.00 -2.00 0.00 0.00 60.65 58.52 2jnk h LYS 62 Cb 0.92 0.04 -0.04 0.00 -0.90 0.00 0.00 32.23 32.25 2jnk h LYS 62 CO 0.00 0.89 -0.26 1.49 -2.00 0.00 0.00 179.45 179.57 2jnk h GLU 63 N 0.08 -0.20 0.00 0.07 4.81 -1.71 0.25 114.58 117.88 2jnk h GLU 63 Ca -0.03 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2jnk h GLU 63 Cb 1.44 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.86 2jnk h GLU 63 CO 0.12 -0.13 0.00 0.45 -0.73 0.00 0.00 179.01 178.72 2jnk n SER 64 N -3.94 0.40 0.08 1.04 2.88 -1.26 -1.12 113.62 111.71 2jnk n SER 64 Ca -0.02 0.60 -0.22 0.00 -1.33 0.00 0.00 58.87 57.90 2jnk n SER 64 Cb 0.16 -0.69 -0.13 0.00 -0.75 0.00 0.00 64.21 62.80 2jnk n SER 64 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2jnk h LEU 65 N 0.00 0.80 -0.25 2.46 3.38 -0.86 -0.21 115.31 120.62 2jnk h LEU 65 Ca 0.00 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.13 2jnk h LEU 65 Cb 0.31 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2jnk h LEU 65 CO 0.00 1.56 -0.58 -0.62 0.09 0.00 0.00 178.44 178.89 2jnk n GLU 66 N -3.87 0.35 -0.00 1.13 1.02 0.63 -3.70 120.64 116.20 2jnk n GLU 66 Ca -0.14 -0.25 0.04 0.00 -0.02 0.00 0.00 57.16 56.79 2jnk n GLU 66 Cb 0.95 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.82 2jnk n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jnk n GLY 67 N 1.45 -0.05 0.12 0.62 0.00 -0.27 -4.38 105.19 102.68 2jnk n GLY 67 Ca 0.07 -0.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 2jnk n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jnk n ALA 68 N -1.50 1.31 -0.12 4.61 0.00 -0.09 -3.88 120.51 120.84 2jnk n ALA 68 Ca -0.00 -0.97 -0.11 0.00 0.00 0.00 0.00 53.44 52.36 2jnk n ALA 68 Cb 0.16 -0.37 -0.03 0.00 0.00 0.00 0.00 19.45 19.22 2jnk n ALA 68 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2jnk h ILE 69 N 0.02 1.26 -0.16 0.00 3.07 -1.70 0.99 117.51 120.99 2jnk h ILE 69 Ca -0.50 -0.98 0.05 0.00 1.55 0.00 0.00 64.86 64.98 2jnk h ILE 69 Cb 2.02 1.22 -0.01 0.00 -0.27 0.00 0.00 36.82 39.78 2jnk h ILE 69 CO 0.00 0.32 0.25 0.00 -1.05 0.00 0.00 178.15 177.67 2jnk h ALA 70 N 0.85 1.65 0.00 0.16 0.00 -1.76 0.15 119.26 120.31 2jnk h ALA 70 Ca 0.10 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2jnk h ALA 70 Cb 0.46 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2jnk h ALA 70 CO 0.02 -0.33 -0.65 -0.09 0.00 0.00 0.00 179.25 178.20 2jnk h ARG 71 N 0.00 0.00 -0.97 0.00 9.65 -1.41 -3.36 114.38 118.28 2jnk h ARG 71 Ca 0.07 0.00 0.17 0.00 -1.10 0.00 0.00 59.98 59.12 2jnk h ARG 71 Cb 0.57 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 29.06 2jnk h ARG 71 CO -0.00 0.42 0.61 0.35 2.80 0.00 0.00 179.97 184.15 2jnk h PHE 72 N -1.00 0.97 -0.49 2.20 3.57 -0.35 0.20 116.94 122.06 2jnk h PHE 72 Ca -0.12 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.54 2jnk h PHE 72 Cb 0.75 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 2jnk h PHE 72 CO -0.04 0.29 0.35 -0.91 -2.23 0.00 0.00 178.31 175.76 2jnk h ASN 73 N 0.76 0.04 -1.28 0.41 2.35 -0.90 -1.36 115.58 115.60 2jnk h ASN 73 Ca 0.52 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 55.61 2jnk h ASN 73 Cb 0.81 -0.01 -0.33 0.00 0.05 0.00 0.00 38.32 38.84 2jnk h ASN 73 CO -0.29 0.02 0.33 -1.20 -1.65 0.00 0.00 177.43 174.64 2jnk n SER 74 N -4.41 6.63 0.00 5.81 7.64 0.71 -4.43 113.62 125.57 2jnk n SER 74 Ca 0.08 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 56.18 2jnk n SER 74 Cb 0.53 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 2jnk n SER 74 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2jnk n LEU 75 N -0.71 0.00 -2.07 -3.43 4.77 -0.51 -4.35 117.00 110.69 2jnk n LEU 75 Ca 0.53 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.42 2jnk n LEU 75 Cb 0.62 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.58 2jnk n LEU 75 CO 0.57 0.00 1.37 0.00 -1.33 0.00 0.00 177.39 178.00 2jnk n LEU 76 N -1.66 4.22 -3.53 2.23 -0.00 -1.25 -4.13 117.00 112.88 2jnk n LEU 76 Ca 0.00 -2.62 -0.23 0.00 -0.00 0.00 0.00 56.01 53.16 2jnk n LEU 76 Cb 0.37 -1.13 0.05 0.00 -0.00 0.00 0.00 43.42 42.72 2jnk n LEU 76 CO 0.00 1.25 -0.03 -0.38 -0.00 0.00 0.00 177.39 178.23 2jnk n ILE 77 N 2.54 -6.69 0.00 1.47 2.08 -1.24 -1.60 119.36 115.93 2jnk n ILE 77 Ca 0.33 -0.97 0.00 0.00 0.56 0.00 0.00 62.75 62.67 2jnk n ILE 77 Cb 0.72 -4.99 0.00 0.00 -0.75 0.00 0.00 39.64 34.62 2jnk n ILE 77 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2jnk n GLU 78 N -3.88 0.00 0.24 0.38 1.02 -1.26 -4.36 120.64 112.79 2jnk n GLU 78 Ca -0.14 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.07 2jnk n GLU 78 Cb 0.63 0.00 0.23 0.00 -0.02 0.00 0.00 31.44 32.28 2jnk n GLU 78 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2jnk h GLU 79 N 0.00 0.00 -0.15 3.49 5.08 -1.88 1.43 114.58 122.55 2jnk h GLU 79 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jnk h GLU 79 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2jnk h GLU 79 CO 0.00 0.00 0.00 0.45 -1.00 0.00 0.00 179.01 178.46 2jnk n SER 80 N -2.72 2.29 -3.05 1.42 2.88 -1.26 -5.05 113.62 108.13 2jnk n SER 80 Ca 0.03 -1.85 -0.07 0.00 -1.33 0.00 0.00 58.87 55.65 2jnk n SER 80 Cb 0.96 -0.10 0.07 0.00 -0.75 0.00 0.00 64.21 64.39 2jnk n SER 80 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2jnk n THR 81 N 0.10 0.00 0.00 2.46 -2.24 0.49 -4.22 114.28 110.87 2jnk n THR 81 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2jnk n THR 81 Cb 0.30 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 2jnk n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jnk n GLY 82 N -1.41 3.01 3.15 3.38 0.00 -1.26 -4.94 105.19 107.11 2jnk n GLY 82 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 2jnk n GLY 82 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jnk n ASP 83 N 0.05 5.42 -0.02 1.61 8.00 -1.26 -4.42 116.55 125.93 2jnk n ASP 83 Ca 0.00 -3.11 -0.17 0.00 0.71 0.00 0.00 54.79 52.22 2jnk n ASP 83 Cb 0.00 -1.46 -0.07 0.00 -0.02 0.00 0.00 41.12 39.57 2jnk n ASP 83 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2jnk h PHE 84 N 6.26 1.04 0.00 1.24 -1.00 -1.86 -3.03 116.94 119.59 2jnk h PHE 84 Ca 0.31 -0.46 -0.00 0.00 2.81 0.00 0.00 57.97 60.62 2jnk h PHE 84 Cb 0.74 -0.16 -0.00 0.00 3.61 0.00 0.00 35.95 40.14 2jnk h PHE 84 CO 1.09 1.29 -0.01 -0.91 -1.61 0.00 0.00 178.31 178.17 2jnk h ASN 85 N 0.49 0.00 0.00 2.17 2.35 -1.84 -3.44 115.58 115.31 2jnk h ASN 85 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2jnk h ASN 85 Cb 1.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.76 2jnk h ASN 85 CO 0.16 0.01 0.00 0.61 -1.65 0.00 0.00 177.43 176.56 2jnk n GLY 86 N -1.14 0.87 0.10 2.83 0.00 -1.15 -4.79 105.19 101.91 2jnk n GLY 86 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.01 2jnk n GLY 86 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jnk n ASN 87 N 0.00 0.84 0.00 1.61 0.23 -1.26 -4.99 115.26 111.69 2jnk n ASN 87 Ca 0.00 0.36 0.00 0.00 -0.53 0.00 0.00 54.58 54.41 2jnk n ASN 87 Cb 0.00 0.23 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 2jnk n ASN 87 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jnk n GLY 88 N 1.37 0.64 3.58 4.83 0.00 -1.26 -5.16 105.19 109.19 2jnk n GLY 88 Ca -0.08 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 2jnk n GLY 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jnk s LYS 89 N -0.37 0.78 -0.37 1.61 -2.85 -1.26 -5.13 119.74 112.15 2jnk s LYS 89 Ca 0.00 0.95 0.02 0.00 -1.00 0.00 0.00 55.97 55.93 2jnk s LYS 89 Cb 0.00 0.37 0.11 0.00 -2.06 0.00 0.00 37.83 36.25 2jnk s LYS 89 CO 0.00 -0.10 0.14 0.42 0.10 0.00 0.00 175.35 175.91 2jnk s ILE 90 N 0.43 1.53 0.13 3.79 -1.09 -1.26 -4.47 121.20 120.26 2jnk s ILE 90 Ca -0.01 -2.14 0.00 0.00 -2.23 0.00 0.00 60.65 56.27 2jnk s ILE 90 Cb -0.05 -2.12 0.00 0.00 -1.58 0.00 0.00 42.46 38.72 2jnk s ILE 90 CO -0.00 -0.73 0.00 -0.67 -1.23 0.00 0.00 174.94 172.31 2jnk n ASP 91 N 4.17 -1.16 -0.32 3.58 -0.08 -1.26 -4.94 116.55 116.54 2jnk n ASP 91 Ca 0.03 0.40 0.09 0.00 -1.51 0.00 0.00 54.79 53.80 2jnk n ASP 91 Cb 0.39 1.32 -0.03 0.00 2.34 0.00 0.00 41.12 45.14 2jnk n ASP 91 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jnk n ILE 92 N -2.79 0.00 0.28 5.18 0.00 -1.26 -4.35 119.36 116.42 2jnk n ILE 92 Ca 0.00 -0.24 0.10 0.00 0.00 0.00 0.00 62.75 62.61 2jnk n ILE 92 Cb 0.00 1.17 0.47 0.00 0.00 0.00 0.00 39.64 41.28 2jnk n ILE 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2jnk n GLY 93 N 1.32 -1.03 0.13 4.50 0.00 -1.26 -2.49 105.19 106.36 2jnk n GLY 93 Ca 0.07 0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 2jnk n GLY 93 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jnk n ASP 94 N -2.11 1.95 -1.46 1.61 5.75 -1.26 -0.99 116.55 120.04 2jnk n ASP 94 Ca 0.01 0.29 -0.09 0.00 -0.01 0.00 0.00 54.79 54.99 2jnk n ASP 94 Cb 0.13 -0.80 0.07 0.00 -1.03 0.00 0.00 41.12 39.49 2jnk n ASP 94 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2jnk n LEU 95 N -4.12 4.39 0.00 -2.12 7.94 -1.18 -2.86 117.00 119.04 2jnk n LEU 95 Ca -0.48 -2.28 0.00 0.00 -1.11 0.00 0.00 56.01 52.13 2jnk n LEU 95 Cb 0.87 -0.63 0.00 0.00 0.53 0.00 0.00 43.42 44.19 2jnk n LEU 95 CO 0.11 0.70 0.00 0.00 -1.11 0.00 0.00 177.39 177.09 2jnk n ALA 96 N -0.12 0.00 -0.45 1.96 0.00 -1.04 -5.00 120.51 115.87 2jnk n ALA 96 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2jnk n ALA 96 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.39 2jnk n ALA 96 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2jnk n MET 97 N -0.52 0.00 -0.06 0.00 2.81 -1.13 -4.21 117.12 114.01 2jnk n MET 97 Ca 0.00 0.13 -0.11 0.00 -1.81 0.00 0.00 57.70 55.92 2jnk n MET 97 Cb 0.00 -0.51 -0.04 0.00 -0.71 0.00 0.00 33.22 31.96 2jnk n MET 97 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 2jnk h VAL 98 N 0.00 1.15 0.00 2.03 3.04 -1.23 -3.08 116.25 118.16 2jnk h VAL 98 Ca 0.00 -0.46 -0.00 0.00 -1.01 0.00 0.00 66.70 65.23 2jnk h VAL 98 Cb 0.00 1.07 -0.00 0.00 -2.01 0.00 0.00 31.29 30.35 2jnk h VAL 98 CO 0.00 0.15 -0.01 0.77 -1.01 0.00 0.00 177.57 177.47 2jnk h SER 99 N 0.19 0.00 1.03 3.17 4.64 -1.77 -2.21 113.55 118.60 2jnk h SER 99 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2jnk h SER 99 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2jnk h SER 99 CO -0.01 0.01 0.00 2.29 -0.87 0.00 0.00 176.83 178.25 2jnk n LYS 100 N -3.13 0.15 -0.08 4.77 -0.00 -1.16 -3.76 118.16 114.95 2jnk n LYS 100 Ca -0.01 0.24 -0.08 0.00 -0.00 0.00 0.00 58.31 58.46 2jnk n LYS 100 Cb 0.20 -1.72 -0.03 0.00 -0.00 0.00 0.00 35.03 33.48 2jnk n LYS 100 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2jnk n ASN 101 N -2.00 1.90 -2.38 -5.58 4.13 -0.86 -5.06 115.26 105.41 2jnk n ASN 101 Ca 0.05 0.43 0.00 0.00 1.68 0.00 0.00 54.58 56.74 2jnk n ASN 101 Cb 0.32 -0.78 0.00 0.00 -1.54 0.00 0.00 39.78 37.77 2jnk n ASN 101 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2jnk n ILE 102 N -4.51 -0.77 -0.69 2.41 2.08 -1.02 -3.77 119.36 113.09 2jnk n ILE 102 Ca -0.12 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.19 2jnk n ILE 102 Cb 0.44 -1.93 0.00 0.00 -0.75 0.00 0.00 39.64 37.41 2jnk n ILE 102 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2jnk n GLY 103 N 2.19 0.60 3.41 7.39 0.00 0.32 -4.67 105.19 114.42 2jnk n GLY 103 Ca 0.00 -0.47 -0.44 0.00 0.00 0.00 0.00 46.02 45.10 2jnk n GLY 103 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jnk s SER 104 N -2.43 6.30 0.57 1.61 0.15 -1.25 -4.67 113.70 113.98 2jnk s SER 104 Ca 0.00 -1.50 0.26 0.00 0.70 0.00 0.00 55.95 55.41 2jnk s SER 104 Cb 0.00 -2.35 1.62 0.00 -1.71 0.00 0.00 66.02 63.58 2jnk s SER 104 CO 0.00 -1.17 2.18 0.74 1.20 0.00 0.00 173.24 176.19 2jnk h THR 105 N 5.85 0.65 0.00 6.45 2.02 -1.91 0.11 112.91 126.09 2jnk h THR 105 Ca -0.18 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 66.85 2jnk h THR 105 Cb 1.07 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 2jnk h THR 105 CO 1.11 0.00 -0.70 0.71 0.37 0.00 0.00 175.52 177.01 2jnk h THR 106 N 0.00 1.40 -2.07 3.16 1.35 -1.90 -3.31 112.91 111.54 2jnk h THR 106 Ca 0.03 -2.48 -0.80 0.00 -0.55 0.00 0.00 66.41 62.62 2jnk h THR 106 Cb 0.17 2.37 -0.25 0.00 -1.73 0.00 0.00 68.15 68.72 2jnk h THR 106 CO -0.00 0.69 1.26 -3.20 -0.25 0.00 0.00 175.52 174.01 2jnk n ASN 107 N -3.57 7.48 -0.46 5.36 5.15 0.03 -4.61 115.26 124.64 2jnk n ASN 107 Ca -0.00 -3.60 0.14 0.00 -0.60 0.00 0.00 54.58 50.51 2jnk n ASN 107 Cb 0.72 -1.20 0.44 0.00 -0.53 0.00 0.00 39.78 39.21 2jnk n ASN 107 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 2jnk n THR 108 N 0.22 0.00 0.29 -0.44 -1.04 -1.25 -4.09 114.28 107.97 2jnk n THR 108 Ca 0.50 -0.24 0.10 0.00 -2.04 0.00 0.00 64.05 62.37 2jnk n THR 108 Cb 0.26 0.57 0.49 0.00 -1.82 0.00 0.00 70.33 69.83 2jnk n THR 108 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2jnk n SER 109 N 0.06 0.54 -2.75 8.00 2.88 -1.26 -3.28 113.62 117.80 2jnk n SER 109 Ca 0.17 0.68 -0.04 0.00 -1.33 0.00 0.00 58.87 58.35 2jnk n SER 109 Cb 0.38 -0.78 0.05 0.00 -0.75 0.00 0.00 64.21 63.11 2jnk n SER 109 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jnk n LEU 110 N -2.15 1.24 -4.31 2.46 -0.00 -1.26 -4.98 117.00 108.01 2jnk n LEU 110 Ca 0.01 -3.32 -0.40 0.00 -0.00 0.00 0.00 56.01 52.30 2jnk n LEU 110 Cb 0.13 0.42 -0.11 0.00 -0.00 0.00 0.00 43.42 43.87 2jnk n LEU 110 CO 0.14 1.31 -0.16 -1.81 -0.00 0.00 0.00 177.39 176.87 2jnk s ASP 111 N -3.31 5.59 0.60 1.45 1.11 -1.21 -4.86 116.67 116.05 2jnk s ASP 111 Ca 0.26 -1.24 0.29 0.00 0.18 0.00 0.00 52.55 52.04 2jnk s ASP 111 Cb 0.39 -1.97 1.16 0.00 1.07 0.00 0.00 42.92 43.56 2jnk s ASP 111 CO -0.01 -0.44 1.50 -0.07 1.18 0.00 0.00 175.17 177.33 2jnk h LEU 112 N 8.37 0.00 0.00 1.23 3.38 -1.87 1.30 115.31 127.73 2jnk h LEU 112 Ca -0.24 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.42 2jnk h LEU 112 Cb 1.09 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.78 2jnk h LEU 112 CO 0.69 0.00 -2.23 0.59 0.09 0.00 0.00 178.44 177.58 2jnk n ASN 113 N -3.44 0.13 -2.15 -0.43 5.03 -1.26 -3.84 115.26 109.29 2jnk n ASN 113 Ca 0.21 0.06 -0.18 0.00 0.87 0.00 0.00 54.58 55.54 2jnk n ASN 113 Cb 1.32 0.95 -0.03 0.00 -1.02 0.00 0.00 39.78 41.00 2jnk n ASN 113 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2jnk n LYS 114 N -2.74 -1.72 -0.04 3.52 5.02 0.45 -4.58 118.16 118.07 2jnk n LYS 114 Ca -0.27 0.95 0.07 0.00 -2.02 0.00 0.00 58.31 57.03 2jnk n LYS 114 Cb 1.07 -5.50 0.31 0.00 -0.02 0.00 0.00 35.03 30.89 2jnk n LYS 114 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2jnk n ASP 115 N -1.70 0.57 -0.48 4.39 5.75 -1.26 -4.87 116.55 118.96 2jnk n ASP 115 Ca -0.21 -1.71 -0.02 0.00 -0.01 0.00 0.00 54.79 52.84 2jnk n ASP 115 Cb 0.65 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 2jnk n ASP 115 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jnk n GLY 116 N 0.81 0.53 3.15 6.12 0.00 -1.26 -5.02 105.19 109.52 2jnk n GLY 116 Ca 0.10 -0.71 0.06 0.00 0.00 0.00 0.00 46.02 45.47 2jnk n GLY 116 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jnk s SER 117 N -2.96 -0.20 -0.38 1.61 0.01 -1.26 -2.71 113.70 107.81 2jnk s SER 117 Ca 0.03 0.12 -0.28 0.00 1.31 0.00 0.00 55.95 57.13 2jnk s SER 117 Cb -0.01 1.16 -0.03 0.00 0.21 0.00 0.00 66.02 67.35 2jnk s SER 117 CO 0.03 -0.04 1.97 -0.63 0.41 0.00 0.00 173.24 174.98 2jnk s ILE 118 N 2.98 3.31 0.00 1.44 -1.09 -1.26 -4.34 121.20 122.24 2jnk s ILE 118 Ca -0.06 0.28 0.00 0.00 -2.23 0.00 0.00 60.65 58.64 2jnk s ILE 118 Cb -0.09 -3.50 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 2jnk s ILE 118 CO -0.09 -0.37 0.00 -0.67 -1.23 0.00 0.00 174.94 172.58 2jnk n ASP 119 N 11.72 0.00 0.29 3.58 2.03 -1.26 0.12 116.55 133.03 2jnk n ASP 119 Ca 0.26 0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.74 2jnk n ASP 119 Cb 0.48 0.00 0.85 0.00 -0.72 0.00 0.00 41.12 41.73 2jnk n ASP 119 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2jnk h GLU 120 N 0.00 0.00 0.00 -0.67 4.81 -2.01 -2.18 114.58 114.53 2jnk h GLU 120 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2jnk h GLU 120 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 2jnk h GLU 120 CO 0.00 0.03 -0.15 1.88 -0.73 0.00 0.00 179.01 180.04 2jnk h TYR 121 N 0.00 0.00 0.00 0.92 0.05 -1.94 -2.23 116.97 113.77 2jnk h TYR 121 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2jnk h TYR 121 Cb 0.34 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.08 2jnk h TYR 121 CO 0.00 0.15 -0.45 0.93 -1.05 0.00 0.00 178.16 177.74 2jnk h GLU 122 N 0.00 0.00 0.00 4.88 4.39 -1.75 -3.32 114.58 118.78 2jnk h GLU 122 Ca -0.00 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.47 2jnk h GLU 122 Cb 0.69 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.30 2jnk h GLU 122 CO 0.02 0.00 -1.93 -0.89 -1.16 0.00 0.00 179.01 175.05 2jnk n ILE 123 N -2.60 1.09 -0.37 3.13 2.08 -1.09 -4.33 119.36 117.28 2jnk n ILE 123 Ca 0.03 -0.73 0.38 0.00 0.56 0.00 0.00 62.75 62.98 2jnk n ILE 123 Cb 0.50 -0.52 0.71 0.00 -0.75 0.00 0.00 39.64 39.57 2jnk n ILE 123 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2jnk h SER 124 N 0.00 0.00 0.00 4.38 0.02 -1.51 1.18 113.55 117.62 2jnk h SER 124 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 2jnk h SER 124 Cb 1.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.32 2jnk h SER 124 CO 0.03 0.00 -0.14 0.15 -1.14 0.00 0.00 176.83 175.74 2jnk h PHE 125 N 0.00 0.00 0.00 3.45 3.57 -1.80 -3.38 116.94 118.78 2jnk h PHE 125 Ca 0.62 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.12 2jnk h PHE 125 Cb 2.72 0.00 0.00 0.00 2.79 0.00 0.00 35.95 41.46 2jnk h PHE 125 CO 0.00 0.00 0.00 -0.89 -2.23 0.00 0.00 178.31 175.19 2jnk n ILE 126 N -3.54 0.89 0.13 1.41 -0.00 -0.93 -2.86 119.36 114.47 2jnk n ILE 126 Ca -0.02 0.22 0.06 0.00 -0.00 0.00 0.00 62.75 63.02 2jnk n ILE 126 Cb 0.07 -0.98 0.54 0.00 -0.00 0.00 0.00 39.64 39.27 2jnk n ILE 126 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.55 177.33 2jnk h ASN 127 N 0.00 0.22 0.02 4.38 2.35 0.12 -2.91 115.58 119.77 2jnk h ASN 127 Ca 0.00 -0.01 -0.34 0.00 -0.55 0.00 0.00 56.30 55.40 2jnk h ASN 127 Cb 0.22 -0.06 -0.05 0.00 0.05 0.00 0.00 38.32 38.48 2jnk h ASN 127 CO 0.00 0.16 -1.89 1.41 -1.65 0.00 0.00 177.43 175.46 2jnk n HIS 128 N -4.51 0.63 -0.40 1.19 8.25 -1.13 -2.96 115.22 116.28 2jnk n HIS 128 Ca 0.00 0.23 0.39 0.00 -0.26 0.00 0.00 57.72 58.09 2jnk n HIS 128 Cb 0.08 -1.07 0.72 0.00 1.12 0.00 0.00 29.99 30.84 2jnk n HIS 128 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2jnk h ARG 129 N -0.77 0.00 0.05 -0.41 9.65 -1.62 0.81 114.38 122.09 2jnk h ARG 129 Ca -0.50 0.00 -0.35 0.00 -1.10 0.00 0.00 59.98 58.03 2jnk h ARG 129 Cb 1.56 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 30.09 2jnk h ARG 129 CO -0.23 0.00 -2.09 -0.89 2.80 0.00 0.00 179.97 179.56 2jnk n ILE 130 N -3.85 1.62 0.32 1.20 -0.00 -1.10 -4.45 119.36 113.11 2jnk n ILE 130 Ca 0.30 -0.70 -0.17 0.00 -0.00 0.00 0.00 62.75 62.18 2jnk n ILE 130 Cb 1.53 -1.32 -0.09 0.00 -0.00 0.00 0.00 39.64 39.77 2jnk n ILE 130 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.55 176.80 2jnk h LEU 131 N 0.03 -0.66 -6.86 1.39 6.46 0.65 -3.30 115.31 113.01 2jnk h LEU 131 Ca -0.44 0.02 -0.57 0.00 -0.12 0.00 0.00 57.88 56.76 2jnk h LEU 131 Cb 2.03 0.17 0.04 0.00 -0.73 0.00 0.00 40.66 42.17 2jnk h LEU 131 CO 0.04 -0.46 1.93 -0.46 -0.62 0.00 0.00 178.44 178.87 2jnk n ASN 132 N -5.42 2.50 0.00 1.25 0.23 0.00 -4.05 115.26 109.77 2jnk n ASN 132 Ca -0.13 -2.67 0.00 0.00 -0.53 0.00 0.00 54.58 51.26 2jnk n ASN 132 Cb 0.32 -1.20 0.00 0.00 -2.08 0.00 0.00 39.78 36.82 2jnk n ASN 132 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 2jnk n LEU 133 N 9.24 1.61 -3.35 -4.53 7.94 -1.25 -4.96 117.00 121.70 2jnk n LEU 133 Ca 0.48 0.00 -0.21 0.00 -1.11 0.00 0.00 56.01 55.17 2jnk n LEU 133 Cb 0.42 0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.45 2jnk n LEU 133 CO 0.97 0.23 0.21 -0.62 -1.11 0.00 0.00 177.39 177.08 2jnk n GLU 134 N -2.50 -7.20 -1.41 1.96 4.71 -1.26 -4.71 120.64 110.25 2jnk n GLU 134 Ca 0.00 0.77 0.17 0.00 -0.01 0.00 0.00 57.16 58.09 2jnk n GLU 134 Cb 0.40 -5.63 -0.09 0.00 -1.01 0.00 0.00 31.44 25.11 2jnk n GLU 134 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 2jnk n HIS 135 N -4.67 -3.77 -2.73 -0.32 -0.00 -1.26 -4.90 115.22 97.58 2jnk n HIS 135 Ca -0.04 2.07 -0.29 0.00 0.46 0.00 0.00 57.72 59.92 2jnk n HIS 135 Cb 0.57 -3.43 -0.01 0.00 -0.12 0.00 0.00 29.99 27.00 2jnk n HIS 135 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2jnk s HIS 136 N -4.10 3.52 -0.18 1.57 -3.43 -1.26 -5.03 115.29 106.38 2jnk s HIS 136 Ca 0.00 0.92 -0.09 0.00 -0.80 0.00 0.00 55.06 55.09 2jnk s HIS 136 Cb 0.00 -2.37 -0.08 0.00 -1.43 0.00 0.00 32.58 28.71 2jnk s HIS 136 CO 0.00 -0.20 -0.23 0.72 -2.00 0.00 0.00 174.74 173.03 2jnk n HIS 137 N -1.82 0.00 0.00 0.38 8.25 -1.26 -4.99 115.22 115.78 2jnk n HIS 137 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2jnk n HIS 137 Cb 0.55 -0.63 0.00 0.00 1.12 0.00 0.00 29.99 31.02 2jnk n HIS 137 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jnk n HIS 138 N -3.79 0.00 0.00 4.41 -0.00 -1.26 -2.87 115.22 111.70 2jnk n HIS 138 Ca -0.35 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.83 2jnk n HIS 138 Cb 0.75 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.62 2jnk n HIS 138 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2jnk n HIS 139 N 0.00 -0.87 -1.42 1.57 1.44 -1.26 -5.38 115.22 109.30 2jnk n HIS 139 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2jnk n HIS 139 Cb 0.00 0.36 0.00 0.00 0.12 0.00 0.00 29.99 30.47 2jnk n HIS 139 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11