#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnk n ASP 2 N 0.00 -2.00 -2.01 7.83 8.00 -1.26 -3.95 116.55 123.17 2jnk n ASP 2 Ca 0.00 -0.03 -0.17 0.00 0.71 0.00 0.00 54.79 55.30 2jnk n ASP 2 Cb 0.00 -0.02 -0.04 0.00 -0.02 0.00 0.00 41.12 41.05 2jnk n ASP 2 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2jnk n LYS 3 N -2.04 -1.70 0.24 -1.24 4.76 -1.26 -4.86 118.16 112.06 2jnk n LYS 3 Ca 0.00 0.88 -0.16 0.00 -2.87 0.00 0.00 58.31 56.17 2jnk n LYS 3 Cb 0.01 -5.37 -0.08 0.00 -1.84 0.00 0.00 35.03 27.75 2jnk n LYS 3 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2jnk h THR 4 N 0.00 0.34 -1.03 -0.18 2.02 -1.96 0.21 112.91 112.31 2jnk h THR 4 Ca -0.37 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.08 2jnk h THR 4 Cb 1.20 0.34 -0.08 0.00 -1.74 0.00 0.00 68.15 67.87 2jnk h THR 4 CO 0.48 0.00 0.69 0.78 0.37 0.00 0.00 175.52 177.84 2jnk h ASN 5 N -0.72 0.32 0.01 4.18 -0.26 -1.94 0.39 115.58 117.56 2jnk h ASN 5 Ca -0.03 0.05 -0.00 0.00 -0.56 0.00 0.00 56.30 55.76 2jnk h ASN 5 Cb 0.63 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.89 2jnk h ASN 5 CO -0.01 0.07 -0.01 -0.07 -1.06 0.00 0.00 177.43 176.36 2jnk h LEU 6 N 0.29 -0.01 -1.44 1.61 -0.00 -1.72 -2.27 115.31 111.76 2jnk h LEU 6 Ca 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.43 2jnk h LEU 6 Cb 1.60 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.27 2jnk h LEU 6 CO -0.20 0.04 0.41 1.23 -0.00 0.00 0.00 178.44 179.92 2jnk h GLY 7 N -0.11 0.00 0.56 0.83 0.00 -0.37 1.11 103.07 105.09 2jnk h GLY 7 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 2jnk h GLY 7 CO 0.00 0.00 -1.77 -1.84 0.00 0.00 0.00 176.54 172.94 2jnk n GLU 8 N -2.61 0.65 -0.01 4.80 -0.00 0.14 -3.17 120.64 120.43 2jnk n GLU 8 Ca -0.01 0.09 0.10 0.00 -0.00 0.00 0.00 57.16 57.33 2jnk n GLU 8 Cb 0.44 -1.68 -0.15 0.00 -0.00 0.00 0.00 31.44 30.05 2jnk n GLU 8 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2jnk n LEU 9 N -2.74 0.14 -0.06 -1.84 4.77 0.12 -4.54 117.00 112.85 2jnk n LEU 9 Ca -0.14 -0.07 -0.19 0.00 -0.03 0.00 0.00 56.01 55.57 2jnk n LEU 9 Cb 0.87 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.83 2jnk n LEU 9 CO 0.43 0.03 -1.04 2.30 -1.33 0.00 0.00 177.39 177.79 2jnk n ILE 10 N -2.10 1.64 -0.34 -0.08 -5.35 0.34 -3.31 119.36 110.17 2jnk n ILE 10 Ca -0.03 -0.63 0.13 0.00 -0.27 0.00 0.00 62.75 61.95 2jnk n ILE 10 Cb 0.50 -1.54 0.26 0.00 -1.74 0.00 0.00 39.64 37.11 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 0.04 -0.56 0.65 7.28 7.08 -1.69 1.00 115.58 129.37 2jnk h ASN 11 Ca -0.49 0.28 -0.25 0.00 -3.08 0.00 0.00 56.30 52.76 2jnk h ASN 11 Cb 1.98 0.51 -0.00 0.00 -2.08 0.00 0.00 38.32 38.73 2jnk h ASN 11 CO 0.01 -0.35 -1.14 0.06 -2.08 0.00 0.00 177.43 173.94 2jnk h GLN 12 N 0.01 0.24 0.09 4.14 3.07 -1.82 -3.19 115.11 117.66 2jnk h GLN 12 Ca 0.57 -0.37 -0.00 0.00 0.09 0.00 0.00 58.65 58.94 2jnk h GLN 12 Cb 1.12 0.13 -0.01 0.00 0.08 0.00 0.00 27.48 28.80 2jnk h GLN 12 CO -0.93 1.15 -0.15 0.78 0.09 0.00 0.00 178.83 179.77 2jnk h GLY 13 N 1.77 -1.03 2.00 0.06 0.00 0.10 1.24 103.07 107.21 2jnk h GLY 13 Ca -0.10 0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2jnk h GLY 13 CO 0.18 -0.35 0.00 0.07 0.00 0.00 0.00 176.54 176.44 2jnk h LYS 14 N -0.25 0.00 0.00 4.80 -0.00 -1.44 0.19 116.57 119.87 2jnk h LYS 14 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 60.65 60.59 2jnk h LYS 14 Cb 0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.46 2jnk h LYS 14 CO -0.05 0.00 -0.75 1.03 -0.00 0.00 0.00 179.45 179.68 2jnk h SER 15 N 0.00 0.00 0.09 7.07 0.87 -1.33 -2.84 113.55 117.41 2jnk h SER 15 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jnk h SER 15 Cb 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 2jnk h SER 15 CO 0.00 0.20 -0.04 -0.07 -0.53 0.00 0.00 176.83 176.39 2jnk h LEU 16 N 0.00 -0.10 -1.83 2.23 3.38 0.36 -2.26 115.31 117.10 2jnk h LEU 16 Ca -0.03 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.07 2jnk h LEU 16 Cb 1.18 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 2jnk h LEU 16 CO 0.02 0.33 0.39 -0.07 0.09 0.00 0.00 178.44 179.20 2jnk h LEU 17 N -0.92 0.17 -0.46 1.67 3.38 -1.56 1.26 115.31 118.85 2jnk h LEU 17 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jnk h LEU 17 Cb 0.09 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2jnk h LEU 17 CO 0.02 0.09 -0.10 0.47 0.09 0.00 0.00 178.44 179.01 2jnk n ASP 18 N -4.43 0.82 -0.08 -0.43 8.00 -1.07 -3.71 116.55 115.64 2jnk n ASP 18 Ca 0.10 -0.95 -0.11 0.00 0.71 0.00 0.00 54.79 54.54 2jnk n ASP 18 Cb 0.51 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.53 2jnk n ASP 18 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jnk n GLU 19 N -0.58 0.61 -1.73 -1.24 -0.58 0.17 -5.00 120.64 112.28 2jnk n GLU 19 Ca 0.16 0.08 -0.29 0.00 -0.42 0.00 0.00 57.16 56.69 2jnk n GLU 19 Cb 0.29 -1.33 0.10 0.00 -0.57 0.00 0.00 31.44 29.93 2jnk n GLU 19 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2jnk s SER 20 N -5.48 4.36 -0.21 1.62 1.04 0.38 -5.07 113.70 110.34 2jnk s SER 20 Ca -0.20 0.98 -0.19 0.00 0.48 0.00 0.00 55.95 57.02 2jnk s SER 20 Cb 0.06 -1.59 0.06 0.00 0.10 0.00 0.00 66.02 64.64 2jnk s SER 20 CO 0.40 -2.02 0.56 0.54 0.98 0.00 0.00 173.24 173.71 2jnk s VAL 21 N -3.38 -0.00 -0.47 5.02 0.11 -1.26 -4.85 120.40 115.57 2jnk s VAL 21 Ca 0.62 0.01 -0.29 0.00 -2.93 0.00 0.00 61.98 59.38 2jnk s VAL 21 Cb -0.13 -0.79 0.02 0.00 -1.53 0.00 0.00 36.38 33.96 2jnk s VAL 21 CO 0.52 0.00 1.25 -1.83 -3.33 0.00 0.00 175.10 171.70 2jnk s GLU 22 N 0.44 3.63 0.00 1.54 -1.05 -1.26 -0.78 118.70 121.22 2jnk s GLU 22 Ca -0.01 0.65 0.00 0.00 -0.15 0.00 0.00 54.97 55.46 2jnk s GLU 22 Cb -0.04 -3.97 0.00 0.00 -0.44 0.00 0.00 34.13 29.68 2jnk s GLU 22 CO -0.01 -1.50 0.00 0.41 0.95 0.00 0.00 175.26 175.11 2jnk n GLY 23 N 4.97 0.73 0.00 -3.83 0.00 0.90 -4.79 105.19 103.17 2jnk n GLY 23 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2jnk n GLY 23 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2jnk n PHE 24 N 0.00 0.00 0.00 1.61 1.16 -1.24 -4.64 117.46 114.34 2jnk n PHE 24 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 2jnk n PHE 24 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 2jnk n PHE 24 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 2jnk n ASN 25 N 0.00 0.00 -4.67 5.98 0.23 -1.07 -4.04 115.26 111.69 2jnk n ASN 25 Ca 0.00 0.00 -0.54 0.00 -0.53 0.00 0.00 54.58 53.51 2jnk n ASN 25 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 2jnk n ASN 25 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 2jnk n VAL 26 N -0.05 0.24 0.00 3.53 3.14 -1.26 -0.14 118.33 123.79 2jnk n VAL 26 Ca 0.00 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 2jnk n VAL 26 Cb 0.00 -1.21 0.00 0.00 -1.06 0.00 0.00 33.84 31.57 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 3.70 0.10 3.18 7.55 0.00 -0.96 -5.02 105.19 113.74 2jnk n GLY 27 Ca 0.23 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.94 0.33 0.65 1.61 2.02 0.80 -4.12 118.70 119.05 2jnk s GLU 28 Ca 0.00 0.59 0.00 0.00 0.02 0.00 0.00 54.97 55.58 2jnk s GLU 28 Cb 0.00 0.02 0.09 0.00 0.10 0.00 0.00 34.13 34.34 2jnk s GLU 28 CO 0.00 -0.12 0.91 1.52 0.02 0.00 0.00 175.26 177.59 2jnk s TYR 29 N 0.92 2.09 0.00 1.61 1.13 0.04 -2.61 117.35 120.53 2jnk s TYR 29 Ca -0.06 -0.17 0.00 0.00 -1.41 0.00 0.00 57.07 55.43 2jnk s TYR 29 Cb -0.07 -2.88 0.00 0.00 -1.10 0.00 0.00 41.96 37.91 2jnk s TYR 29 CO -0.07 -1.37 0.04 1.58 -2.51 0.00 0.00 175.55 173.22 2jnk n HIS 30 N -2.64 0.00 -3.53 -3.49 -0.00 -1.26 0.31 115.22 104.61 2jnk n HIS 30 Ca 0.12 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.77 2jnk n HIS 30 Cb 0.60 -0.37 -0.02 0.00 -0.00 0.00 0.00 29.99 30.20 2jnk n HIS 30 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 2jnk s LYS 31 N -0.83 0.66 0.00 1.57 1.02 -1.26 -4.40 119.74 116.50 2jnk s LYS 31 Ca 0.00 -0.20 0.00 0.00 0.02 0.00 0.00 55.97 55.79 2jnk s LYS 31 Cb 0.00 0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.62 2jnk s LYS 31 CO 0.00 -0.28 0.00 0.41 -0.92 0.00 0.00 175.35 174.56 2jnk n GLY 32 N -0.08 0.96 0.09 -3.33 0.00 -1.26 -4.91 105.19 96.66 2jnk n GLY 32 Ca -0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 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 0.14 -0.65 4.61 0.00 -1.97 -3.34 119.26 118.04 2jnk h ALA 33 Ca 0.00 -0.85 0.19 0.00 0.00 0.00 0.00 54.91 54.25 2jnk h ALA 33 Cb 0.00 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2jnk h ALA 33 CO 0.00 0.41 0.92 0.87 0.00 0.00 0.00 179.25 181.45 2jnk h LYS 34 N -1.00 0.00 0.00 0.00 1.79 -1.95 -2.70 116.57 112.71 2jnk h LYS 34 Ca -0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 2jnk h LYS 34 Cb 1.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 2jnk h LYS 34 CO -0.11 0.00 -0.01 0.38 -1.08 0.00 0.00 179.45 178.63 2jnk h ASP 35 N 0.00 0.00 0.00 0.86 2.03 -1.98 -3.29 116.42 114.04 2jnk h ASP 35 Ca 0.31 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.61 2jnk h ASP 35 Cb 2.14 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.64 2jnk h ASP 35 CO -0.00 0.02 0.00 0.61 -1.03 0.00 0.00 179.24 178.84 2jnk n GLY 36 N 1.93 -2.53 0.39 7.15 0.00 -1.02 0.29 105.19 111.40 2jnk n GLY 36 Ca -0.00 0.51 0.16 0.00 0.00 0.00 0.00 46.02 46.69 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 0.05 0.99 5.85 -1.72 0.52 115.31 121.01 2jnk h LEU 37 Ca 0.00 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.36 2jnk h LEU 37 Cb 0.00 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2jnk h LEU 37 CO 0.00 0.00 -2.11 1.07 -0.34 0.00 0.00 178.44 177.06 2jnk n THR 38 N -3.09 1.62 -0.25 1.05 5.66 0.40 -3.55 114.28 116.13 2jnk n THR 38 Ca 0.06 -0.69 0.13 0.00 -3.05 0.00 0.00 64.05 60.50 2jnk n THR 38 Cb 0.83 -1.35 0.41 0.00 -1.55 0.00 0.00 70.33 68.67 2jnk n THR 38 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 2jnk h VAL 39 N 0.03 0.82 -0.13 1.08 2.07 0.95 2.12 116.25 123.19 2jnk h VAL 39 Ca -0.45 -0.22 -0.13 0.00 0.82 0.00 0.00 66.70 66.72 2jnk h VAL 39 Cb 2.02 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 2jnk h VAL 39 CO 0.03 0.11 -0.48 1.05 0.02 0.00 0.00 177.57 178.31 2jnk h GLU 40 N 0.63 0.33 0.25 1.57 4.11 -1.34 -1.77 114.58 118.36 2jnk h GLU 40 Ca 0.43 -0.18 -0.01 0.00 0.07 0.00 0.00 59.36 59.67 2jnk h GLU 40 Cb 0.76 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2jnk h GLU 40 CO -0.19 0.74 -0.12 0.82 0.07 0.00 0.00 179.01 180.34 2jnk h ILE 41 N 0.26 0.57 -1.07 -1.06 1.08 0.13 2.00 117.51 119.43 2jnk h ILE 41 Ca 0.01 -0.92 0.30 0.00 -0.39 0.00 0.00 64.86 63.86 2jnk h ILE 41 Cb 0.95 0.94 -0.11 0.00 -3.07 0.00 0.00 36.82 35.52 2jnk h ILE 41 CO 0.08 0.14 0.67 0.78 -0.69 0.00 0.00 178.15 179.13 2jnk h ASN 42 N -0.94 0.46 0.78 1.72 2.35 0.28 1.26 115.58 121.50 2jnk h ASN 42 Ca -0.03 0.11 -0.20 0.00 -0.55 0.00 0.00 56.30 55.63 2jnk h ASN 42 Cb 0.49 0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.87 2jnk h ASN 42 CO 0.06 0.02 -1.33 0.50 -1.65 0.00 0.00 177.43 175.03 2jnk h LYS 43 N 0.37 0.00 0.00 0.81 3.11 -1.25 -3.31 116.57 116.31 2jnk h LYS 43 Ca 0.66 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 58.49 2jnk h LYS 43 Cb 1.65 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.87 2jnk h LYS 43 CO -0.39 0.48 -0.20 0.00 -2.81 0.00 0.00 179.45 176.54 2jnk h ALA 44 N 1.24 0.01 -0.97 5.00 0.00 0.88 -3.31 119.26 122.11 2jnk h ALA 44 Ca -0.16 -0.24 0.23 0.00 0.00 0.00 0.00 54.91 54.74 2jnk h ALA 44 Cb 1.72 0.17 -0.12 0.00 0.00 0.00 0.00 17.79 19.56 2jnk h ALA 44 CO 0.07 0.17 0.54 0.93 0.00 0.00 0.00 179.25 180.96 2jnk h GLU 45 N -1.00 0.55 -0.07 0.00 4.39 0.10 2.02 114.58 120.58 2jnk h GLU 45 Ca -0.02 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.67 2jnk h GLU 45 Cb 0.29 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2jnk h GLU 45 CO -0.01 0.36 0.11 1.05 -1.16 0.00 0.00 179.01 179.36 2jnk h GLU 46 N 0.57 0.00 0.04 2.33 4.11 -1.67 -1.58 114.58 118.38 2jnk h GLU 46 Ca 0.60 0.00 -0.38 0.00 0.07 0.00 0.00 59.36 59.66 2jnk h GLU 46 Cb 1.10 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.30 2jnk h GLU 46 CO -0.47 0.00 -2.18 0.28 0.07 0.00 0.00 179.01 176.71 2jnk n VAL 47 N -3.56 1.59 -0.30 -1.06 0.31 0.61 -2.98 118.33 112.93 2jnk n VAL 47 Ca -0.01 -0.48 0.13 0.00 -0.01 0.00 0.00 64.34 63.98 2jnk n VAL 47 Cb 0.20 -1.70 0.30 0.00 -0.91 0.00 0.00 33.84 31.73 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 -0.34 0.41 -0.61 3.52 3.57 0.16 0.59 116.94 124.25 2jnk h PHE 48 Ca -0.53 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.02 2jnk h PHE 48 Cb 1.79 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.49 2jnk h PHE 48 CO 0.03 -0.19 0.00 0.27 -2.23 0.00 0.00 178.31 176.19 2jnk n ASN 49 N -5.20 3.67 -4.83 0.41 0.23 -0.67 -4.79 115.26 104.09 2jnk n ASN 49 Ca 0.22 -1.99 -0.32 0.00 -0.53 0.00 0.00 54.58 51.96 2jnk n ASN 49 Cb 0.69 -0.40 0.01 0.00 -2.08 0.00 0.00 39.78 38.00 2jnk n ASN 49 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 2jnk s LYS 50 N -1.05 3.38 -0.06 -3.83 2.20 0.21 -5.00 119.74 115.59 2jnk s LYS 50 Ca 0.42 1.00 -0.11 0.00 -0.36 0.00 0.00 55.97 56.92 2jnk s LYS 50 Cb 0.22 -2.05 -0.30 0.00 -1.51 0.00 0.00 37.83 34.19 2jnk s LYS 50 CO 0.29 -0.75 0.62 1.49 -0.36 0.00 0.00 175.35 176.65 2jnk h GLU 51 N 0.05 0.37 -0.56 4.03 4.81 -1.88 -3.26 114.58 118.15 2jnk h GLU 51 Ca -0.45 -0.63 0.00 0.00 -0.13 0.00 0.00 59.36 58.14 2jnk h GLU 51 Cb 1.20 0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.82 2jnk h GLU 51 CO 0.59 1.30 0.00 -0.25 -0.73 0.00 0.00 179.01 179.92 2jnk n ASP 52 N -3.61 1.56 -1.84 1.04 8.00 -1.26 -4.26 116.55 116.18 2jnk n ASP 52 Ca -0.26 -2.12 -0.05 0.00 0.71 0.00 0.00 54.79 53.08 2jnk n ASP 52 Cb 1.06 -0.34 -0.06 0.00 -0.02 0.00 0.00 41.12 41.75 2jnk n ASP 52 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jnk n ALA 53 N 0.08 4.32 -1.31 2.24 0.00 -1.23 -3.33 120.51 121.28 2jnk n ALA 53 Ca 0.06 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.81 2jnk n ALA 53 Cb 0.32 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 2.08 0.00 1.01 0.00 -2.24 -1.26 -4.28 114.28 109.59 2jnk n THR 54 Ca 0.16 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.07 2jnk n THR 54 Cb 0.55 0.00 0.43 0.00 -2.10 0.00 0.00 70.33 69.21 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 0.02 -0.12 -0.78 4.71 -1.26 -3.36 120.64 119.85 2jnk n GLU 55 Ca 0.00 -0.01 -0.24 0.00 -0.01 0.00 0.00 57.16 56.90 2jnk n GLU 55 Cb 0.00 -1.50 -0.11 0.00 -1.01 0.00 0.00 31.44 28.82 2jnk n GLU 55 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2jnk n GLU 56 N -1.48 0.62 0.07 3.49 1.02 -1.26 -4.60 120.64 118.50 2jnk n GLU 56 Ca 0.06 0.28 -0.19 0.00 -0.02 0.00 0.00 57.16 57.29 2jnk n GLU 56 Cb 0.34 -1.56 -0.14 0.00 -0.02 0.00 0.00 31.44 30.05 2jnk n GLU 56 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2jnk h GLU 57 N -0.58 0.31 0.17 3.49 3.07 -1.72 -3.23 114.58 116.09 2jnk h GLU 57 Ca -0.58 -0.53 -0.00 0.00 -0.50 0.00 0.00 59.36 57.75 2jnk h GLU 57 Cb 1.70 0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 29.79 2jnk h GLU 57 CO -0.24 1.19 -0.26 0.82 -1.40 0.00 0.00 179.01 179.12 2jnk h ILE 58 N 0.08 0.00 -0.26 3.13 1.08 -1.74 1.24 117.51 121.05 2jnk h ILE 58 Ca -0.28 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.26 2jnk h ILE 58 Cb 2.05 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.79 2jnk h ILE 58 CO 0.17 0.00 0.19 0.78 -0.69 0.00 0.00 178.15 178.60 2jnk h ASN 59 N -0.45 0.01 0.72 1.72 2.35 -1.81 1.01 115.58 119.13 2jnk h ASN 59 Ca -0.02 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.61 2jnk h ASN 59 Cb 0.41 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 2jnk h ASN 59 CO -0.08 0.01 -0.57 -0.07 -1.65 0.00 0.00 177.43 175.07 2jnk h LEU 60 N 0.01 0.00 0.00 1.61 4.07 -1.31 -2.85 115.31 116.84 2jnk h LEU 60 Ca 0.12 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.02 2jnk h LEU 60 Cb 0.48 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 2jnk h LEU 60 CO -0.00 0.57 -1.72 0.00 -1.08 0.00 0.00 178.44 176.21 2jnk n ALA 61 N -2.38 2.46 0.17 1.53 0.00 0.42 -4.17 120.51 118.54 2jnk n ALA 61 Ca -0.01 -0.55 0.05 0.00 0.00 0.00 0.00 53.44 52.94 2jnk n ALA 61 Cb 0.61 -0.80 0.17 0.00 0.00 0.00 0.00 19.45 19.43 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 0.00 -0.30 0.00 5.09 0.87 -3.26 116.57 118.97 2jnk h LYS 62 Ca -0.09 0.00 0.04 0.00 0.09 0.00 0.00 60.65 60.69 2jnk h LYS 62 Cb 1.23 0.00 -0.06 0.00 0.10 0.00 0.00 32.23 33.50 2jnk h LYS 62 CO 0.01 0.38 -0.38 1.49 -2.09 0.00 0.00 179.45 178.86 2jnk h GLU 63 N 0.00 -0.24 0.00 0.07 4.57 -1.67 0.28 114.58 117.59 2jnk h GLU 63 Ca -0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2jnk h GLU 63 Cb 1.15 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 2jnk h GLU 63 CO 0.05 -0.16 0.00 0.45 -1.18 0.00 0.00 179.01 178.17 2jnk n SER 64 N -4.52 0.77 0.08 1.04 2.88 -1.26 -2.58 113.62 110.04 2jnk n SER 64 Ca -0.02 0.62 -0.07 0.00 -1.33 0.00 0.00 58.87 58.06 2jnk n SER 64 Cb 0.23 -0.81 0.05 0.00 -0.75 0.00 0.00 64.21 62.93 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 0.28 -0.02 2.46 3.38 -1.01 0.96 115.31 121.36 2jnk h LEU 65 Ca 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2jnk h LEU 65 Cb 0.59 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2jnk h LEU 65 CO 0.00 0.93 -0.60 -1.84 0.09 0.00 0.00 178.44 177.03 2jnk n GLU 66 N -3.76 0.03 -0.00 1.13 0.28 0.78 -3.80 120.64 115.31 2jnk n GLU 66 Ca -0.03 -0.02 0.01 0.00 -0.16 0.00 0.00 57.16 56.95 2jnk n GLU 66 Cb 0.72 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 32.09 2jnk n GLU 66 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jnk n GLY 67 N 1.49 0.43 0.14 -1.84 0.00 -1.07 -4.44 105.19 99.90 2jnk n GLY 67 Ca 0.05 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 2jnk n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jnk h ALA 68 N 0.14 0.36 -0.37 4.61 0.00 0.80 -3.26 119.26 121.56 2jnk h ALA 68 Ca 0.00 -1.33 -0.07 0.00 0.00 0.00 0.00 54.91 53.52 2jnk h ALA 68 Cb 0.04 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2jnk h ALA 68 CO 0.00 1.20 -0.04 -0.84 0.00 0.00 0.00 179.25 179.57 2jnk h ILE 69 N -0.01 1.27 -0.17 0.00 3.07 -1.69 -1.70 117.51 118.27 2jnk h ILE 69 Ca -0.40 -1.06 0.05 0.00 1.55 0.00 0.00 64.86 65.00 2jnk h ILE 69 Cb 1.98 1.22 -0.01 0.00 -0.27 0.00 0.00 36.82 39.75 2jnk h ILE 69 CO 0.08 0.35 0.24 0.00 -1.05 0.00 0.00 178.15 177.77 2jnk h ALA 70 N 0.85 1.72 0.00 0.16 0.00 -1.78 0.18 119.26 120.39 2jnk h ALA 70 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2jnk h ALA 70 Cb 0.52 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2jnk h ALA 70 CO 0.03 -0.33 -0.07 0.00 0.00 0.00 0.00 179.25 178.88 2jnk h ARG 71 N 0.00 0.00 -0.65 0.00 -0.00 -1.40 -3.36 114.38 108.97 2jnk h ARG 71 Ca 0.08 0.00 0.11 0.00 -0.50 0.00 0.00 59.98 59.67 2jnk h ARG 71 Cb 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 30.48 2jnk h ARG 71 CO -0.00 0.00 0.43 0.35 0.00 0.00 0.00 179.97 180.75 2jnk h PHE 72 N -0.97 0.48 -1.06 3.04 3.04 -0.93 -1.18 116.94 119.36 2jnk h PHE 72 Ca 0.00 0.01 0.28 0.00 3.98 0.00 0.00 57.97 62.24 2jnk h PHE 72 Cb 0.07 -0.15 -0.10 0.00 2.56 0.00 0.00 35.95 38.33 2jnk h PHE 72 CO -0.03 0.22 0.68 -0.91 -2.02 0.00 0.00 178.31 176.25 2jnk h ASN 73 N 0.44 0.43 -0.68 0.41 2.35 -0.80 0.58 115.58 118.32 2jnk h ASN 73 Ca 0.30 0.09 -0.37 0.00 -0.55 0.00 0.00 56.30 55.77 2jnk h ASN 73 Cb 0.60 0.02 -0.22 0.00 0.05 0.00 0.00 38.32 38.77 2jnk h ASN 73 CO -0.09 0.07 0.25 -1.20 -1.65 0.00 0.00 177.43 174.81 2jnk n SER 74 N -4.63 3.42 -0.09 5.81 7.64 -0.45 -4.47 113.62 120.84 2jnk n SER 74 Ca 0.26 -3.72 -0.14 0.00 1.01 0.00 0.00 58.87 56.28 2jnk n SER 74 Cb 0.92 -0.73 -0.14 0.00 -1.01 0.00 0.00 64.21 63.24 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 -1.11 1.41 -2.13 -3.43 7.99 0.20 -3.55 117.00 116.39 2jnk n LEU 75 Ca 0.47 0.01 -0.10 0.00 -0.01 0.00 0.00 56.01 56.38 2jnk n LEU 75 Cb 1.27 -0.19 -0.13 0.00 -0.11 0.00 0.00 43.42 44.26 2jnk n LEU 75 CO 0.41 0.68 1.44 0.00 -1.51 0.00 0.00 177.39 178.41 2jnk n LEU 76 N -3.03 4.27 -3.62 2.23 -0.00 -1.25 -4.07 117.00 111.53 2jnk n LEU 76 Ca -0.36 -2.67 -0.25 0.00 -0.00 0.00 0.00 56.01 52.73 2jnk n LEU 76 Cb 1.08 -1.14 0.03 0.00 -0.00 0.00 0.00 43.42 43.38 2jnk n LEU 76 CO 0.37 1.26 -0.04 -0.38 -0.00 0.00 0.00 177.39 178.60 2jnk n ILE 77 N 2.63 -5.92 0.00 1.47 2.08 -0.76 -2.27 119.36 116.60 2jnk n ILE 77 Ca 0.35 -0.61 0.00 0.00 0.56 0.00 0.00 62.75 63.05 2jnk n ILE 77 Cb 0.72 -4.39 0.00 0.00 -0.75 0.00 0.00 39.64 35.22 2jnk n ILE 77 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 2jnk n GLU 78 N -3.45 0.00 0.02 0.38 0.00 -0.86 -4.17 120.64 112.56 2jnk n GLU 78 Ca -0.13 0.00 0.15 0.00 0.00 0.00 0.00 57.16 57.18 2jnk n GLU 78 Cb 0.60 0.00 0.22 0.00 0.00 0.00 0.00 31.44 32.26 2jnk n GLU 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2jnk n GLU 79 N 0.00 0.02 -1.80 5.31 1.02 -1.26 0.81 120.64 124.74 2jnk n GLU 79 Ca 0.00 0.89 0.02 0.00 -0.02 0.00 0.00 57.16 58.05 2jnk n GLU 79 Cb 0.00 -2.30 0.05 0.00 -0.02 0.00 0.00 31.44 29.16 2jnk n GLU 79 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2jnk n SER 80 N -2.73 1.41 0.06 1.62 3.41 -1.26 -4.84 113.62 111.29 2jnk n SER 80 Ca 0.12 -2.28 0.13 0.00 -0.26 0.00 0.00 58.87 56.58 2jnk n SER 80 Cb 1.18 -0.37 0.49 0.00 -0.26 0.00 0.00 64.21 65.25 2jnk n SER 80 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2jnk n THR 81 N -0.02 0.42 -0.38 6.66 5.66 0.24 -3.73 114.28 123.13 2jnk n THR 81 Ca 0.09 -0.08 0.32 0.00 -3.05 0.00 0.00 64.05 61.34 2jnk n THR 81 Cb 1.00 -0.64 0.64 0.00 -1.55 0.00 0.00 70.33 69.77 2jnk n THR 81 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2jnk h GLY 82 N 4.32 0.81 -7.22 1.09 0.00 -1.89 -3.22 103.07 96.96 2jnk h GLY 82 Ca 0.00 -0.11 -0.55 0.00 0.00 0.00 0.00 47.33 46.67 2jnk h GLY 82 CO 0.00 -0.16 1.92 1.22 0.00 0.00 0.00 176.54 179.52 2jnk n ASP 83 N -4.47 3.66 0.04 0.19 8.00 -1.24 -4.54 116.55 118.19 2jnk n ASP 83 Ca 0.30 -2.78 -0.13 0.00 0.71 0.00 0.00 54.79 52.89 2jnk n ASP 83 Cb 1.22 -1.62 -0.09 0.00 -0.02 0.00 0.00 41.12 40.61 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 8.22 -0.09 0.00 1.24 0.04 -1.74 -2.82 116.94 121.78 2jnk h PHE 84 Ca 0.37 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.14 2jnk h PHE 84 Cb 0.83 0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.01 2jnk h PHE 84 CO 1.32 0.25 0.00 -0.91 -0.60 0.00 0.00 178.31 178.37 2jnk h ASN 85 N -0.45 0.00 0.00 2.17 2.35 -1.85 -3.41 115.58 114.39 2jnk h ASN 85 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2jnk h ASN 85 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 2jnk h ASN 85 CO 0.02 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.41 2jnk n GLY 86 N -0.95 1.87 0.04 2.83 0.00 -1.06 -4.80 105.19 103.12 2jnk n GLY 86 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.93 0.00 1.61 6.94 -1.26 -5.04 115.26 118.45 2jnk n ASN 87 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2jnk n ASN 87 Cb 0.00 1.36 0.00 0.00 -2.36 0.00 0.00 39.78 38.78 2jnk n ASN 87 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jnk n GLY 88 N 1.74 0.67 3.48 4.83 0.00 -1.26 -5.16 105.19 109.49 2jnk n GLY 88 Ca -0.15 -0.68 -0.01 0.00 0.00 0.00 0.00 46.02 45.18 2jnk n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jnk s LYS 89 N -0.21 0.54 -0.58 1.61 1.02 -1.26 -5.09 119.74 115.77 2jnk s LYS 89 Ca 0.00 1.28 0.04 0.00 0.02 0.00 0.00 55.97 57.32 2jnk s LYS 89 Cb 0.00 0.70 0.15 0.00 -0.52 0.00 0.00 37.83 38.16 2jnk s LYS 89 CO 0.00 -0.31 0.35 0.42 -0.92 0.00 0.00 175.35 174.89 2jnk s ILE 90 N 2.84 2.53 0.00 2.17 -1.09 -1.26 -4.31 121.20 122.08 2jnk s ILE 90 Ca 0.01 -3.60 0.00 0.00 -2.23 0.00 0.00 60.65 54.83 2jnk s ILE 90 Cb -0.13 -2.72 0.00 0.00 -1.58 0.00 0.00 42.46 38.03 2jnk s ILE 90 CO -0.19 -0.90 0.00 -0.67 -1.23 0.00 0.00 174.94 171.96 2jnk n ASP 91 N 2.71 0.00 -0.03 3.58 -0.08 -1.26 -4.84 116.55 116.62 2jnk n ASP 91 Ca 0.12 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.42 2jnk n ASP 91 Cb 0.34 0.05 -0.12 0.00 2.34 0.00 0.00 41.12 43.73 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 -1.31 0.38 0.31 5.18 0.13 -1.26 -4.42 119.36 118.37 2jnk n ILE 92 Ca 0.00 -0.47 0.13 0.00 -1.10 0.00 0.00 62.75 61.31 2jnk n ILE 92 Cb 0.00 -0.14 0.67 0.00 -0.84 0.00 0.00 39.64 39.33 2jnk n ILE 92 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 2jnk h GLY 93 N 2.95 0.00 1.08 4.50 0.00 -1.93 0.42 103.07 110.09 2jnk h GLY 93 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.87 2jnk h GLY 93 CO 0.01 0.00 -1.65 1.29 0.00 0.00 0.00 176.54 176.19 2jnk h ASP 94 N 0.00 0.32 -0.50 0.19 2.03 -1.94 0.85 116.42 117.37 2jnk h ASP 94 Ca 0.00 -0.52 -0.24 0.00 -0.73 0.00 0.00 57.03 55.53 2jnk h ASP 94 Cb 0.78 -0.11 -0.15 0.00 -0.83 0.00 0.00 39.33 39.03 2jnk h ASP 94 CO 0.00 1.45 0.09 0.18 -1.03 0.00 0.00 179.24 179.93 2jnk n LEU 95 N -3.39 4.74 0.00 0.15 4.77 0.11 -3.18 117.00 120.20 2jnk n LEU 95 Ca -0.19 -3.69 0.00 0.00 -0.03 0.00 0.00 56.01 52.10 2jnk n LEU 95 Cb 1.04 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2jnk n LEU 95 CO 0.48 1.17 0.00 0.00 -1.33 0.00 0.00 177.39 177.71 2jnk n ALA 96 N -1.07 0.00 -0.47 -1.18 0.00 0.85 -4.96 120.51 113.69 2jnk n ALA 96 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2jnk n ALA 96 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.63 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 -1.40 0.00 0.36 0.00 2.81 -0.80 -4.20 117.12 113.88 2jnk n MET 97 Ca 0.00 0.13 -0.14 0.00 -1.81 0.00 0.00 57.70 55.88 2jnk n MET 97 Cb 0.00 -0.51 -0.07 0.00 -0.71 0.00 0.00 33.22 31.93 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 0.00 0.00 2.03 3.04 0.46 -2.78 116.25 119.00 2jnk h VAL 98 Ca 0.00 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 2jnk h VAL 98 Cb 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.28 2jnk h VAL 98 CO 0.00 0.00 0.24 -1.54 -1.01 0.00 0.00 177.57 175.26 2jnk n SER 99 N -4.60 0.27 0.33 3.17 3.41 -1.19 -2.45 113.62 112.56 2jnk n SER 99 Ca -0.11 0.51 -0.13 0.00 -0.26 0.00 0.00 58.87 58.88 2jnk n SER 99 Cb 0.36 -0.48 -0.06 0.00 -0.26 0.00 0.00 64.21 63.76 2jnk n SER 99 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2jnk h LYS 100 N 0.00 -0.82 0.05 4.33 3.11 -1.66 -3.36 116.57 118.22 2jnk h LYS 100 Ca 0.00 0.06 -0.07 0.00 -2.81 0.00 0.00 60.65 57.82 2jnk h LYS 100 Cb 0.49 0.19 0.01 0.00 -1.00 0.00 0.00 32.23 31.91 2jnk h LYS 100 CO 0.00 -0.55 -0.32 -2.95 -2.81 0.00 0.00 179.45 172.82 2jnk h ASN 101 N -0.99 0.20 -6.15 4.20 7.08 -1.62 -3.50 115.58 114.81 2jnk h ASN 101 Ca -0.09 -0.95 0.00 0.00 -3.08 0.00 0.00 56.30 52.19 2jnk h ASN 101 Cb 0.66 -0.06 -0.00 0.00 -2.08 0.00 0.00 38.32 36.83 2jnk h ASN 101 CO 0.14 1.13 -0.06 -0.38 -2.08 0.00 0.00 177.43 176.18 2jnk n ILE 102 N -4.43 -1.24 -0.23 6.14 2.08 -1.03 -4.31 119.36 116.33 2jnk n ILE 102 Ca -0.11 0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.26 2jnk n ILE 102 Cb 0.60 -2.59 0.00 0.00 -0.75 0.00 0.00 39.64 36.90 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 2.48 0.86 3.69 7.39 0.00 0.40 -4.68 105.19 115.33 2jnk n GLY 103 Ca -0.01 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 2jnk n GLY 103 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jnk s SER 104 N -2.22 6.01 -0.23 1.61 0.01 -1.26 -4.67 113.70 112.95 2jnk s SER 104 Ca 0.00 0.16 0.09 0.00 1.31 0.00 0.00 55.95 57.51 2jnk s SER 104 Cb 0.00 -2.05 0.63 0.00 0.21 0.00 0.00 66.02 64.81 2jnk s SER 104 CO 0.00 0.16 1.55 0.41 0.41 0.00 0.00 173.24 175.77 2jnk n THR 105 N 3.68 2.33 -0.04 1.44 -1.04 -0.74 -2.24 114.28 117.67 2jnk n THR 105 Ca -0.16 -1.21 -0.05 0.00 -2.04 0.00 0.00 64.05 60.60 2jnk n THR 105 Cb 0.52 -0.38 -0.06 0.00 -1.82 0.00 0.00 70.33 68.59 2jnk n THR 105 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2jnk n THR 106 N 0.22 0.57 -2.94 12.58 -1.04 -1.26 -4.74 114.28 117.67 2jnk n THR 106 Ca 0.28 -0.32 -0.36 0.00 -2.04 0.00 0.00 64.05 61.60 2jnk n THR 106 Cb 1.10 -0.80 -0.01 0.00 -1.82 0.00 0.00 70.33 68.80 2jnk n THR 106 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2jnk n ASN 107 N -2.41 5.88 -0.17 8.00 5.15 -1.26 -4.75 115.26 125.71 2jnk n ASN 107 Ca -0.14 -3.57 0.15 0.00 -0.60 0.00 0.00 54.58 50.41 2jnk n ASN 107 Cb 0.75 -0.98 0.74 0.00 -0.53 0.00 0.00 39.78 39.76 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 0.43 0.00 0.23 -0.44 -1.04 -1.26 -3.89 114.28 108.30 2jnk n THR 108 Ca 0.35 -0.09 0.13 0.00 -2.04 0.00 0.00 64.05 62.40 2jnk n THR 108 Cb 0.33 -0.11 0.65 0.00 -1.82 0.00 0.00 70.33 69.39 2jnk n THR 108 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2jnk h SER 109 N 0.84 0.00 -0.59 8.00 0.02 -1.95 -3.03 113.55 116.84 2jnk h SER 109 Ca 0.00 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.65 2jnk h SER 109 Cb 0.24 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.38 2jnk h SER 109 CO 0.00 0.00 -1.09 0.00 -1.14 0.00 0.00 176.83 174.60 2jnk n LEU 110 N -2.38 1.98 -4.21 5.07 -0.00 -1.25 -4.85 117.00 111.37 2jnk n LEU 110 Ca -0.01 -3.38 -0.38 0.00 -0.00 0.00 0.00 56.01 52.25 2jnk n LEU 110 Cb 0.08 0.36 -0.11 0.00 -0.00 0.00 0.00 43.42 43.75 2jnk n LEU 110 CO 0.13 1.27 -0.18 -1.81 -0.00 0.00 0.00 177.39 176.79 2jnk s ASP 111 N -3.66 5.36 0.55 1.45 1.11 -1.15 -4.80 116.67 115.52 2jnk s ASP 111 Ca 0.30 -1.60 0.44 0.00 0.18 0.00 0.00 52.55 51.87 2jnk s ASP 111 Cb 0.36 -1.88 1.49 0.00 1.07 0.00 0.00 42.92 43.96 2jnk s ASP 111 CO -0.02 -0.47 1.44 0.18 1.18 0.00 0.00 175.17 177.48 2jnk n LEU 112 N 4.76 0.00 -0.09 1.23 4.77 -1.26 0.14 117.00 126.55 2jnk n LEU 112 Ca -0.08 0.91 -0.18 0.00 -0.03 0.00 0.00 56.01 56.62 2jnk n LEU 112 Cb 0.43 -0.43 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 2jnk n LEU 112 CO 0.34 -0.91 -1.19 0.59 -1.33 0.00 0.00 177.39 174.90 2jnk n ASN 113 N -3.69 1.91 -1.30 -1.43 4.13 -1.24 -1.83 115.26 111.81 2jnk n ASN 113 Ca 0.38 -0.03 -0.10 0.00 1.68 0.00 0.00 54.58 56.51 2jnk n ASN 113 Cb 1.85 -0.46 0.01 0.00 -1.54 0.00 0.00 39.78 39.64 2jnk n ASN 113 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2jnk n LYS 114 N -3.29 -1.49 -0.00 3.52 5.02 0.38 -3.01 118.16 119.28 2jnk n LYS 114 Ca -0.41 0.44 0.16 0.00 -2.02 0.00 0.00 58.31 56.48 2jnk n LYS 114 Cb 1.01 -4.38 0.91 0.00 -0.02 0.00 0.00 35.03 32.55 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 -0.01 0.10 -0.35 4.39 5.75 -1.26 -4.87 116.55 120.29 2jnk n ASP 115 Ca -0.08 -1.05 0.00 0.00 -0.01 0.00 0.00 54.79 53.65 2jnk n ASP 115 Cb 0.57 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 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 1.00 0.81 3.15 6.12 0.00 -1.26 -5.00 105.19 110.01 2jnk n GLY 116 Ca 0.23 -0.72 0.06 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.98 -0.30 -0.43 1.61 0.01 -0.95 -1.79 113.70 108.86 2jnk s SER 117 Ca 0.00 0.19 -0.27 0.00 1.31 0.00 0.00 55.95 57.17 2jnk s SER 117 Cb 0.00 1.25 -0.03 0.00 0.21 0.00 0.00 66.02 67.45 2jnk s SER 117 CO 0.00 -0.06 1.98 -0.63 0.41 0.00 0.00 173.24 174.94 2jnk s ILE 118 N 2.97 3.30 0.00 1.44 -1.09 -1.25 -4.31 121.20 122.26 2jnk s ILE 118 Ca -0.05 0.25 0.00 0.00 -2.23 0.00 0.00 60.65 58.63 2jnk s ILE 118 Cb -0.09 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.23 2jnk s ILE 118 CO -0.09 -0.45 0.00 -0.67 -1.23 0.00 0.00 174.94 172.50 2jnk n ASP 119 N 12.25 0.30 -0.30 3.58 -0.08 -1.26 0.15 116.55 131.19 2jnk n ASP 119 Ca 0.25 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.54 2jnk n ASP 119 Cb 0.50 0.00 0.13 0.00 2.34 0.00 0.00 41.12 44.09 2jnk n ASP 119 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2jnk h GLU 120 N 0.00 0.91 -0.89 -0.67 5.08 -1.99 -1.15 114.58 115.86 2jnk h GLU 120 Ca 0.00 -0.05 0.26 0.00 -1.00 0.00 0.00 59.36 58.56 2jnk h GLU 120 Cb 0.00 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.01 2jnk h GLU 120 CO 0.00 0.60 0.65 1.88 -1.00 0.00 0.00 179.01 181.14 2jnk h TYR 121 N 0.93 0.00 0.00 4.33 0.05 -1.96 0.26 116.97 120.58 2jnk h TYR 121 Ca 0.36 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.14 2jnk h TYR 121 Cb 0.16 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.90 2jnk h TYR 121 CO -0.04 0.00 -0.84 0.39 -1.05 0.00 0.00 178.16 176.63 2jnk n GLU 122 N -4.26 0.18 -0.03 4.88 -0.58 -0.46 -4.16 120.64 116.21 2jnk n GLU 122 Ca 0.18 0.01 -0.03 0.00 -0.42 0.00 0.00 57.16 56.91 2jnk n GLU 122 Cb 0.96 -1.57 -0.13 0.00 -0.57 0.00 0.00 31.44 30.13 2jnk n GLU 122 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2jnk n ILE 123 N -1.80 1.09 -0.28 -3.67 2.08 0.74 -4.53 119.36 112.98 2jnk n ILE 123 Ca 0.03 -0.73 -0.12 0.00 0.56 0.00 0.00 62.75 62.49 2jnk n ILE 123 Cb 0.40 -0.54 -0.10 0.00 -0.75 0.00 0.00 39.64 38.65 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 -2.01 0.00 4.38 0.02 -1.28 0.16 113.55 114.82 2jnk h SER 124 Ca -0.29 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jnk h SER 124 Cb 1.77 0.86 0.00 0.00 0.14 0.00 0.00 62.40 65.17 2jnk h SER 124 CO 0.04 -0.31 0.00 0.33 -1.14 0.00 0.00 176.83 175.75 2jnk n PHE 125 N -5.28 0.00 -0.31 3.45 7.35 -1.26 -2.72 117.46 118.69 2jnk n PHE 125 Ca -0.01 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.68 2jnk n PHE 125 Cb 0.30 -0.29 0.06 0.00 0.35 0.00 0.00 39.48 39.90 2jnk n PHE 125 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2jnk h ILE 126 N 0.00 0.08 -1.29 -2.13 1.08 -1.79 0.75 117.51 114.21 2jnk h ILE 126 Ca 0.00 0.00 0.40 0.00 -0.39 0.00 0.00 64.86 64.87 2jnk h ILE 126 Cb 0.00 0.08 -0.11 0.00 -3.07 0.00 0.00 36.82 33.72 2jnk h ILE 126 CO 0.00 0.00 0.85 0.78 -0.69 0.00 0.00 178.15 179.09 2jnk h ASN 127 N -0.04 0.25 0.01 1.72 4.21 -0.69 0.79 115.58 121.84 2jnk h ASN 127 Ca 0.35 0.11 -0.32 0.00 1.21 0.00 0.00 56.30 57.65 2jnk h ASN 127 Cb 0.61 0.08 -0.04 0.00 -1.12 0.00 0.00 38.32 37.84 2jnk h ASN 127 CO -0.89 -0.10 -1.73 1.41 -1.29 0.00 0.00 177.43 174.83 2jnk n HIS 128 N -4.59 0.71 -0.30 1.19 8.25 0.21 -4.01 115.22 116.68 2jnk n HIS 128 Ca 0.34 0.29 0.12 0.00 -0.26 0.00 0.00 57.72 58.20 2jnk n HIS 128 Cb 1.33 -1.07 0.35 0.00 1.12 0.00 0.00 29.99 31.72 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 -0.89 0.72 0.64 -0.41 9.65 0.11 -0.12 114.38 124.08 2jnk h ARG 129 Ca -0.47 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.34 2jnk h ARG 129 Cb 1.47 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 29.89 2jnk h ARG 129 CO -0.25 0.48 -0.36 0.82 2.80 0.00 0.00 179.97 183.46 2jnk h ILE 130 N 0.74 0.27 0.75 1.20 2.04 0.36 -2.38 117.51 120.50 2jnk h ILE 130 Ca 0.47 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.30 2jnk h ILE 130 Cb 0.73 0.27 0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2jnk h ILE 130 CO -0.24 0.00 -0.36 -0.07 0.00 0.00 0.00 178.15 177.48 2jnk h LEU 131 N -0.93 -0.85 -5.01 1.44 3.38 -1.54 -3.19 115.31 108.60 2jnk h LEU 131 Ca -0.08 0.03 -0.61 0.00 0.09 0.00 0.00 57.88 57.31 2jnk h LEU 131 Cb 0.74 0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 2jnk h LEU 131 CO 0.11 -0.59 2.47 -0.46 0.09 0.00 0.00 178.44 180.06 2jnk n ASN 132 N -4.81 7.83 -0.10 -0.43 6.94 -0.11 -4.27 115.26 120.31 2jnk n ASN 132 Ca -0.12 -2.80 -0.11 0.00 -0.02 0.00 0.00 54.58 51.53 2jnk n ASN 132 Cb 0.40 -1.45 -0.15 0.00 -2.36 0.00 0.00 39.78 36.22 2jnk n ASN 132 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2jnk n LEU 133 N 2.58 0.44 -3.74 -4.53 0.00 -0.90 -4.76 117.00 106.10 2jnk n LEU 133 Ca 0.66 -0.02 -0.04 0.00 0.00 0.00 0.00 56.01 56.61 2jnk n LEU 133 Cb 0.36 0.28 -0.01 0.00 0.00 0.00 0.00 43.42 44.05 2jnk n LEU 133 CO 0.65 0.55 0.71 -0.70 0.00 0.00 0.00 177.39 178.61 2jnk s GLU 134 N -2.48 1.18 -0.28 1.96 -6.30 -1.26 -4.96 118.70 106.56 2jnk s GLU 134 Ca -0.13 -0.64 0.21 0.00 -2.50 0.00 0.00 54.97 51.90 2jnk s GLU 134 Cb 0.06 0.41 0.49 0.00 0.00 0.00 0.00 34.13 35.09 2jnk s GLU 134 CO 0.78 -0.54 1.21 1.58 0.02 0.00 0.00 175.26 178.30 2jnk n HIS 135 N -0.46 0.51 -0.00 5.30 -0.00 -1.26 -4.91 115.22 114.40 2jnk n HIS 135 Ca -0.06 -2.05 -0.01 0.00 -0.00 0.00 0.00 57.72 55.60 2jnk n HIS 135 Cb 0.61 0.18 -0.00 0.00 -0.00 0.00 0.00 29.99 30.77 2jnk n HIS 135 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jnk n HIS 136 N -0.81 0.00 0.07 1.57 8.25 -1.26 -5.08 115.22 117.95 2jnk n HIS 136 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2jnk n HIS 136 Cb 0.82 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.89 2jnk n HIS 136 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jnk n HIS 137 N -3.03 -2.60 -3.78 4.41 8.25 -1.26 -5.18 115.22 112.03 2jnk n HIS 137 Ca -0.02 0.48 -0.01 0.00 -0.26 0.00 0.00 57.72 57.91 2jnk n HIS 137 Cb 0.51 1.43 0.01 0.00 1.12 0.00 0.00 29.99 33.06 2jnk n HIS 137 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jnk n HIS 138 N -2.68 -0.78 -1.44 4.41 8.25 -1.26 -5.12 115.22 116.60 2jnk n HIS 138 Ca 0.00 -0.64 0.04 0.00 -0.26 0.00 0.00 57.72 56.87 2jnk n HIS 138 Cb 0.00 0.30 -0.02 0.00 1.12 0.00 0.00 29.99 31.39 2jnk n HIS 138 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jnk n HIS 139 N -0.46 -3.93 0.71 4.41 -0.00 -1.26 -5.06 115.22 109.63 2jnk n HIS 139 Ca 0.00 2.14 0.06 0.00 -0.00 0.00 0.00 57.72 59.92 2jnk n HIS 139 Cb 0.34 -3.40 0.34 0.00 -0.00 0.00 0.00 29.99 27.27 2jnk n HIS 139 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92