#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 -0.51 -2.63 7.83 9.92 -1.26 -5.08 116.55 124.82 2jnk n ASP 2 Ca 0.00 -2.09 -0.01 0.00 -0.53 0.00 0.00 54.79 52.16 2jnk n ASP 2 Cb 0.00 1.06 0.09 0.00 -0.64 0.00 0.00 41.12 41.63 2jnk n ASP 2 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 2jnk n LYS 3 N -0.32 1.41 -0.16 -1.24 0.00 -1.26 -4.65 118.16 111.94 2jnk n LYS 3 Ca 0.03 -2.14 0.19 0.00 -0.00 0.00 0.00 58.31 56.39 2jnk n LYS 3 Cb 0.31 -0.39 0.58 0.00 -0.00 0.00 0.00 35.03 35.53 2jnk n LYS 3 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 2jnk h THR 4 N 4.78 0.71 -0.98 0.58 2.02 -1.95 -1.01 112.91 117.06 2jnk h THR 4 Ca -0.32 -0.09 0.25 0.00 0.77 0.00 0.00 66.41 67.02 2jnk h THR 4 Cb 1.31 0.42 -0.13 0.00 -1.74 0.00 0.00 68.15 68.02 2jnk h THR 4 CO -0.04 0.05 0.55 -1.13 0.37 0.00 0.00 175.52 175.32 2jnk h ASN 5 N 0.27 0.57 0.24 4.18 -0.00 -1.96 0.95 115.58 119.83 2jnk h ASN 5 Ca 0.38 0.15 -0.01 0.00 -0.00 0.00 0.00 56.30 56.82 2jnk h ASN 5 Cb 1.10 0.07 0.00 0.00 -0.00 0.00 0.00 38.32 39.49 2jnk h ASN 5 CO -0.09 0.04 -0.12 -0.07 -0.00 0.00 0.00 177.43 177.19 2jnk h LEU 6 N 0.49 -0.27 -2.12 0.34 -0.00 -1.57 -0.87 115.31 111.31 2jnk h LEU 6 Ca 0.64 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.53 2jnk h LEU 6 Cb 1.27 0.07 0.00 0.00 -0.00 0.00 0.00 40.66 42.00 2jnk h LEU 6 CO -0.51 -0.07 0.25 1.23 -0.00 0.00 0.00 178.44 179.34 2jnk h GLY 7 N -0.57 0.00 1.01 0.83 0.00 -1.47 1.35 103.07 104.22 2jnk h GLY 7 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.17 2jnk h GLY 7 CO 0.05 0.00 -1.29 -2.09 0.00 0.00 0.00 176.54 173.22 2jnk h GLU 8 N 0.00 0.00 0.00 4.80 4.22 0.96 -2.91 114.58 121.65 2jnk h GLU 8 Ca 0.00 0.00 -0.36 0.00 0.08 0.00 0.00 59.36 59.08 2jnk h GLU 8 Cb 0.50 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.69 2jnk h GLU 8 CO 0.00 0.22 -2.37 1.28 -2.18 0.00 0.00 179.01 175.95 2jnk n LEU 9 N -2.84 1.20 0.10 1.64 4.77 0.89 -4.48 117.00 118.27 2jnk n LEU 9 Ca -0.07 -0.05 -0.15 0.00 -0.03 0.00 0.00 56.01 55.71 2jnk n LEU 9 Cb 0.76 -0.06 -0.12 0.00 -2.33 0.00 0.00 43.42 41.67 2jnk n LEU 9 CO 0.42 0.66 0.00 0.16 -1.33 0.00 0.00 177.39 177.30 2jnk h ILE 10 N 0.00 1.49 -0.82 -0.08 3.07 0.14 -2.55 117.51 118.76 2jnk h ILE 10 Ca -0.54 -2.97 0.18 0.00 1.55 0.00 0.00 64.86 63.08 2jnk h ILE 10 Cb 2.07 2.85 -0.15 0.00 -0.27 0.00 0.00 36.82 41.32 2jnk h ILE 10 CO -0.02 0.87 -0.13 0.78 -1.05 0.00 0.00 178.15 178.60 2jnk h ASN 11 N 0.10 -0.63 0.84 2.16 2.35 -1.64 1.23 115.58 120.00 2jnk h ASN 11 Ca -0.12 0.24 -0.22 0.00 -0.55 0.00 0.00 56.30 55.64 2jnk h ASN 11 Cb 1.89 0.46 -0.02 0.00 0.05 0.00 0.00 38.32 40.71 2jnk h ASN 11 CO 0.19 -0.26 -1.04 0.06 -1.65 0.00 0.00 177.43 174.74 2jnk h GLN 12 N 0.03 0.09 -0.25 0.81 3.07 -1.80 -3.23 115.11 113.84 2jnk h GLN 12 Ca 0.42 -0.15 -0.01 0.00 0.09 0.00 0.00 58.65 59.00 2jnk h GLN 12 Cb 0.70 0.05 -0.01 0.00 0.08 0.00 0.00 27.48 28.31 2jnk h GLN 12 CO -0.81 1.04 0.11 0.78 0.09 0.00 0.00 178.83 180.04 2jnk h GLY 13 N 2.46 0.39 1.49 0.06 0.00 0.55 0.51 103.07 108.52 2jnk h GLY 13 Ca -0.05 -0.20 0.05 0.00 0.00 0.00 0.00 47.33 47.13 2jnk h GLY 13 CO 0.15 0.19 0.23 0.50 0.00 0.00 0.00 176.54 177.61 2jnk h LYS 14 N 0.25 0.25 0.10 4.80 6.56 0.11 0.55 116.57 129.19 2jnk h LYS 14 Ca 0.08 -0.01 -0.27 0.00 -1.06 0.00 0.00 60.65 59.39 2jnk h LYS 14 Cb 0.15 -0.06 0.01 0.00 -0.57 0.00 0.00 32.23 31.77 2jnk h LYS 14 CO -0.01 0.16 -1.18 0.77 -2.06 0.00 0.00 179.45 177.13 2jnk h SER 15 N 0.25 0.59 0.32 0.86 0.02 -1.40 -2.87 113.55 111.33 2jnk h SER 15 Ca 0.15 -0.57 -0.02 0.00 -0.84 0.00 0.00 61.79 60.52 2jnk h SER 15 Cb 0.27 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2jnk h SER 15 CO -0.03 1.41 -0.17 -0.07 -1.14 0.00 0.00 176.83 176.83 2jnk h LEU 16 N 0.17 -0.41 -1.75 5.07 3.38 0.19 0.31 115.31 122.27 2jnk h LEU 16 Ca -0.14 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.00 2jnk h LEU 16 Cb 1.87 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.71 2jnk h LEU 16 CO 0.21 -0.28 0.63 -0.07 0.09 0.00 0.00 178.44 179.02 2jnk h LEU 17 N -0.45 0.00 0.00 1.67 4.07 -1.12 0.90 115.31 120.37 2jnk h LEU 17 Ca -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.92 2jnk h LEU 17 Cb 0.35 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.09 2jnk h LEU 17 CO 0.06 0.00 -0.77 -0.78 -1.08 0.00 0.00 178.44 175.88 2jnk h ASP 18 N 0.00 0.00 0.00 -0.43 3.58 -1.17 -3.42 116.42 114.98 2jnk h ASP 18 Ca 0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.71 2jnk h ASP 18 Cb 1.51 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.56 2jnk h ASP 18 CO -0.00 0.00 -0.31 -0.62 -2.88 0.00 0.00 179.24 175.43 2jnk n GLU 19 N -2.78 0.16 -1.56 0.28 -0.58 0.28 -4.83 120.64 111.62 2jnk n GLU 19 Ca 0.01 0.07 -0.14 0.00 -0.42 0.00 0.00 57.16 56.67 2jnk n GLU 19 Cb 0.55 -0.75 -0.07 0.00 -0.57 0.00 0.00 31.44 30.60 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 -4.77 3.88 0.09 1.62 1.04 0.37 -4.90 113.70 111.03 2jnk s SER 20 Ca -0.09 0.11 -0.13 0.00 0.48 0.00 0.00 55.95 56.33 2jnk s SER 20 Cb 0.01 -2.55 -0.06 0.00 0.10 0.00 0.00 66.02 63.52 2jnk s SER 20 CO 0.13 -3.87 0.46 0.54 0.98 0.00 0.00 173.24 171.49 2jnk s VAL 21 N 14.80 4.99 -0.44 5.02 0.11 -1.24 -4.75 120.40 138.89 2jnk s VAL 21 Ca 0.93 0.69 -0.29 0.00 -2.93 0.00 0.00 61.98 60.38 2jnk s VAL 21 Cb -0.13 -3.70 0.01 0.00 -1.53 0.00 0.00 36.38 31.03 2jnk s VAL 21 CO 0.09 0.34 1.39 -1.83 -3.33 0.00 0.00 175.10 171.76 2jnk s GLU 22 N -1.73 3.54 0.00 1.54 4.04 -1.26 -1.15 118.70 123.69 2jnk s GLU 22 Ca 0.33 0.82 0.00 0.00 0.04 0.00 0.00 54.97 56.16 2jnk s GLU 22 Cb -0.15 -4.03 0.00 0.00 0.02 0.00 0.00 34.13 29.97 2jnk s GLU 22 CO 0.18 -1.62 0.00 0.41 -1.84 0.00 0.00 175.26 172.39 2jnk n GLY 23 N 5.10 0.26 0.00 -3.83 0.00 1.04 -4.79 105.19 102.96 2jnk n GLY 23 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.52 0.00 -3.65 1.61 1.16 -1.23 -4.66 117.46 110.17 2jnk n PHE 24 Ca 0.00 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.62 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 0.54 -1.87 0.00 0.00 176.76 175.43 2jnk s ASN 25 N 0.00 -0.01 0.08 5.98 4.22 -1.11 -3.85 114.94 120.25 2jnk s ASN 25 Ca 0.00 -0.03 -0.37 0.00 -2.14 0.00 0.00 52.86 50.32 2jnk s ASN 25 Cb 0.00 0.04 -0.17 0.00 1.28 0.00 0.00 41.25 42.39 2jnk s ASN 25 CO 0.00 -0.07 1.24 0.55 -2.04 0.00 0.00 177.10 176.79 2jnk n VAL 26 N -0.58 0.13 -0.05 3.54 3.14 -1.26 0.26 118.33 123.51 2jnk n VAL 26 Ca -0.07 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.28 2jnk n VAL 26 Cb 0.63 -0.62 0.00 0.00 -1.06 0.00 0.00 33.84 32.79 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 2.22 1.37 2.96 7.55 0.00 -0.68 -5.00 105.19 113.60 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 -0.52 0.12 0.65 1.61 8.01 0.14 -3.64 118.70 125.06 2jnk s GLU 28 Ca 0.00 0.31 0.02 0.00 0.01 0.00 0.00 54.97 55.31 2jnk s GLU 28 Cb 0.00 -0.09 0.10 0.00 -4.31 0.00 0.00 34.13 29.83 2jnk s GLU 28 CO 0.00 -0.11 0.89 1.52 0.01 0.00 0.00 175.26 177.57 2jnk s TYR 29 N 0.78 1.83 0.00 1.61 1.13 -0.30 -2.76 117.35 119.64 2jnk s TYR 29 Ca -0.06 -0.33 0.00 0.00 -1.41 0.00 0.00 57.07 55.27 2jnk s TYR 29 Cb -0.08 -2.76 0.00 0.00 -1.10 0.00 0.00 41.96 38.02 2jnk s TYR 29 CO -0.04 -1.39 0.18 1.58 -2.51 0.00 0.00 175.55 173.37 2jnk n HIS 30 N -2.58 0.00 -3.61 -3.49 -0.00 -1.26 0.34 115.22 104.62 2jnk n HIS 30 Ca 0.14 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.80 2jnk n HIS 30 Cb 0.61 -0.38 -0.04 0.00 -0.00 0.00 0.00 29.99 30.17 2jnk n HIS 30 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.34 174.75 2jnk s LYS 31 N -1.12 0.33 0.00 1.57 0.00 -1.26 -4.24 119.74 115.02 2jnk s LYS 31 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 55.97 56.03 2jnk s LYS 31 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 37.83 37.98 2jnk s LYS 31 CO 0.00 -0.11 0.00 0.41 0.00 0.00 0.00 175.35 175.65 2jnk n GLY 32 N 0.55 3.23 0.22 0.59 0.00 -1.26 -4.94 105.19 103.58 2jnk n GLY 32 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.92 -0.12 4.61 0.00 -1.96 -3.24 119.26 117.63 2jnk h ALA 33 Ca 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2jnk h ALA 33 Cb 0.00 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2jnk h ALA 33 CO 0.00 -0.94 -0.07 1.63 0.00 0.00 0.00 179.25 179.87 2jnk n LYS 34 N -3.68 -0.05 -0.22 0.00 5.02 -1.26 -0.42 118.16 117.54 2jnk n LYS 34 Ca -0.05 0.81 0.21 0.00 -2.02 0.00 0.00 58.31 57.26 2jnk n LYS 34 Cb 0.20 -1.21 0.38 0.00 -0.02 0.00 0.00 35.03 34.38 2jnk n LYS 34 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2jnk n ASP 35 N -3.11 0.20 0.00 4.39 9.92 -1.22 0.29 116.55 127.02 2jnk n ASP 35 Ca 0.00 1.01 0.00 0.00 -0.53 0.00 0.00 54.79 55.28 2jnk n ASP 35 Cb 0.03 -0.50 0.00 0.00 -0.64 0.00 0.00 41.12 40.02 2jnk n ASP 35 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jnk n GLY 36 N -1.19 -1.49 0.39 0.44 0.00 0.44 0.26 105.19 104.04 2jnk n GLY 36 Ca 0.24 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.43 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 0.40 -0.50 0.99 5.85 -1.14 0.85 115.31 121.76 2jnk h LEU 37 Ca 0.00 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 2jnk h LEU 37 Cb 0.00 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 2jnk h LEU 37 CO 0.00 0.19 0.18 0.74 -0.34 0.00 0.00 178.44 179.20 2jnk h THR 38 N 0.41 1.22 -0.40 1.05 2.02 0.43 0.92 112.91 118.56 2jnk h THR 38 Ca 0.42 -0.72 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 2jnk h THR 38 Cb 1.00 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 2jnk h THR 38 CO -0.15 0.27 0.25 0.58 0.37 0.00 0.00 175.52 176.84 2jnk h VAL 39 N 0.67 1.11 0.01 3.16 2.07 1.04 1.26 116.25 125.57 2jnk h VAL 39 Ca 0.16 -0.24 -0.23 0.00 0.82 0.00 0.00 66.70 67.21 2jnk h VAL 39 Cb 0.24 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2jnk h VAL 39 CO -0.01 0.11 -1.18 1.05 0.02 0.00 0.00 177.57 177.56 2jnk h GLU 40 N 0.55 0.03 0.47 1.57 4.11 0.02 -2.29 114.58 119.03 2jnk h GLU 40 Ca 0.15 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.51 2jnk h GLU 40 Cb -0.03 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2jnk h GLU 40 CO -0.03 0.91 -0.22 0.82 0.07 0.00 0.00 179.01 180.56 2jnk h ILE 41 N 0.01 0.01 -0.63 -1.06 1.08 0.25 1.63 117.51 118.79 2jnk h ILE 41 Ca -0.08 -0.54 0.13 0.00 -0.39 0.00 0.00 64.86 63.97 2jnk h ILE 41 Cb 1.84 0.01 -0.12 0.00 -3.07 0.00 0.00 36.82 35.49 2jnk h ILE 41 CO 0.12 0.00 -0.11 0.78 -0.69 0.00 0.00 178.15 178.26 2jnk h ASN 42 N -1.17 -0.49 0.64 1.72 2.35 0.14 0.92 115.58 119.69 2jnk h ASN 42 Ca -0.06 0.18 -0.11 0.00 -0.55 0.00 0.00 56.30 55.75 2jnk h ASN 42 Cb 0.48 0.36 -0.02 0.00 0.05 0.00 0.00 38.32 39.20 2jnk h ASN 42 CO 0.11 -0.19 -0.55 0.50 -1.65 0.00 0.00 177.43 175.65 2jnk h LYS 43 N 0.03 0.00 0.03 0.81 3.11 -1.43 -3.00 116.57 116.13 2jnk h LYS 43 Ca 0.32 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 58.15 2jnk h LYS 43 Cb 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.73 2jnk h LYS 43 CO -0.62 0.55 -0.02 0.00 -2.81 0.00 0.00 179.45 176.55 2jnk h ALA 44 N 1.45 -0.05 -0.86 5.00 0.00 0.61 -3.28 119.26 122.12 2jnk h ALA 44 Ca -0.01 -0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.12 2jnk h ALA 44 Cb 1.01 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.68 2jnk h ALA 44 CO 0.07 -0.05 0.21 0.93 0.00 0.00 0.00 179.25 180.41 2jnk h GLU 45 N -0.82 0.20 -0.13 0.00 5.08 0.52 1.84 114.58 121.28 2jnk h GLU 45 Ca -0.00 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2jnk h GLU 45 Cb 0.04 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2jnk h GLU 45 CO 0.01 0.13 0.21 1.05 -1.00 0.00 0.00 179.01 179.41 2jnk h GLU 46 N 0.21 0.00 0.05 2.33 4.11 -1.67 -1.01 114.58 118.60 2jnk h GLU 46 Ca 0.53 0.00 -0.38 0.00 0.07 0.00 0.00 59.36 59.58 2jnk h GLU 46 Cb 1.05 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.26 2jnk h GLU 46 CO -0.65 0.00 -2.23 0.28 0.07 0.00 0.00 179.01 176.48 2jnk n VAL 47 N -3.49 1.61 -0.13 -1.06 0.31 0.57 -3.31 118.33 112.83 2jnk n VAL 47 Ca 0.00 -0.56 -0.05 0.00 -0.01 0.00 0.00 64.34 63.72 2jnk n VAL 47 Cb 0.31 -1.61 0.02 0.00 -0.91 0.00 0.00 33.84 31.64 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 -0.09 -0.47 -0.24 3.52 3.57 0.13 0.28 116.94 123.63 2jnk h PHE 48 Ca -0.52 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.03 2jnk h PHE 48 Cb 1.90 0.28 0.00 0.00 2.79 0.00 0.00 35.95 40.92 2jnk h PHE 48 CO 0.04 -0.28 0.00 0.09 -2.23 0.00 0.00 178.31 175.94 2jnk n ASN 49 N -5.38 1.67 -4.89 0.41 3.02 -0.49 -4.91 115.26 104.67 2jnk n ASN 49 Ca 0.03 -1.82 -0.29 0.00 -0.03 0.00 0.00 54.58 52.47 2jnk n ASN 49 Cb 0.29 -0.15 0.01 0.00 -0.61 0.00 0.00 39.78 39.32 2jnk n ASN 49 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2jnk s LYS 50 N -1.69 3.42 -0.09 3.52 2.20 0.98 -5.00 119.74 123.07 2jnk s LYS 50 Ca 0.28 0.37 0.15 0.00 -0.36 0.00 0.00 55.97 56.41 2jnk s LYS 50 Cb 0.15 -2.24 -0.23 0.00 -1.51 0.00 0.00 37.83 34.00 2jnk s LYS 50 CO 0.21 -0.46 0.47 0.39 -0.36 0.00 0.00 175.35 175.60 2jnk n GLU 51 N -2.53 0.65 -0.26 4.03 4.71 -1.26 -3.78 120.64 122.21 2jnk n GLU 51 Ca 0.03 0.18 0.03 0.00 -0.01 0.00 0.00 57.16 57.39 2jnk n GLU 51 Cb 0.55 -1.70 0.13 0.00 -1.01 0.00 0.00 31.44 29.42 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 -2.91 2.27 -2.15 1.62 8.00 -1.26 -4.31 116.55 117.80 2jnk n ASP 52 Ca -0.21 -2.23 -0.13 0.00 0.71 0.00 0.00 54.79 52.92 2jnk n ASP 52 Cb 1.06 -0.46 -0.15 0.00 -0.02 0.00 0.00 41.12 41.55 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 0.21 6.07 -1.74 2.24 0.00 -1.25 -3.15 120.51 122.89 2jnk n ALA 53 Ca 0.09 -1.84 0.00 0.00 0.00 0.00 0.00 53.44 51.69 2jnk n ALA 53 Cb 0.48 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.52 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 2.64 0.00 0.69 0.00 -2.24 -1.26 -4.33 114.28 109.78 2jnk n THR 54 Ca 0.43 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.33 2jnk n THR 54 Cb 0.79 0.00 0.26 0.00 -2.10 0.00 0.00 70.33 69.28 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 0.21 -0.09 -0.78 1.02 -1.26 -3.62 120.64 116.13 2jnk n GLU 55 Ca 0.00 0.08 -0.09 0.00 -0.02 0.00 0.00 57.16 57.13 2jnk n GLU 55 Cb 0.00 -1.66 -0.03 0.00 -0.02 0.00 0.00 31.44 29.73 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 -1.98 0.51 -0.00 3.49 1.02 -1.26 -4.51 120.64 117.90 2jnk n GLU 56 Ca 0.04 0.33 -0.08 0.00 -0.02 0.00 0.00 57.16 57.42 2jnk n GLU 56 Cb 0.41 -1.53 0.08 0.00 -0.02 0.00 0.00 31.44 30.38 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 -1.00 0.56 0.16 3.49 4.39 -1.76 -2.98 114.58 117.44 2jnk h GLU 57 Ca -0.05 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.32 2jnk h GLU 57 Cb 0.88 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.56 2jnk h GLU 57 CO -0.03 0.92 -0.10 0.82 -1.16 0.00 0.00 179.01 179.46 2jnk h ILE 58 N 0.44 0.00 -1.01 3.13 2.04 -1.77 0.89 117.51 121.23 2jnk h ILE 58 Ca 0.02 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.13 2jnk h ILE 58 Cb 1.01 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.98 2jnk h ILE 58 CO 0.09 0.00 0.61 -0.55 0.00 0.00 0.00 178.15 178.30 2jnk h ASN 59 N -0.25 0.64 -0.05 1.72 7.08 -1.79 1.76 115.58 124.70 2jnk h ASN 59 Ca -0.02 0.12 -0.07 0.00 -3.08 0.00 0.00 56.30 53.25 2jnk h ASN 59 Cb 0.20 0.02 -0.01 0.00 -2.08 0.00 0.00 38.32 36.45 2jnk h ASN 59 CO 0.02 0.12 -0.18 -0.07 -2.08 0.00 0.00 177.43 175.24 2jnk h LEU 60 N 0.56 0.40 0.00 6.14 3.38 -1.31 -1.36 115.31 123.13 2jnk h LEU 60 Ca 0.63 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.49 2jnk h LEU 60 Cb 1.25 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2jnk h LEU 60 CO -0.44 0.60 -1.08 0.00 0.09 0.00 0.00 178.44 177.61 2jnk n ALA 61 N -2.48 2.80 0.07 1.53 0.00 0.32 -4.08 120.51 118.67 2jnk n ALA 61 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2jnk n ALA 61 Cb 0.34 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.57 0.00 5.09 0.24 -3.25 116.57 118.08 2jnk h LYS 62 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 60.65 60.80 2jnk h LYS 62 Cb 0.91 0.00 -0.09 0.00 0.10 0.00 0.00 32.23 33.14 2jnk h LYS 62 CO 0.00 0.42 -0.56 0.93 -2.09 0.00 0.00 179.45 178.15 2jnk h GLU 63 N 0.00 -0.27 0.00 0.07 4.39 -1.40 0.10 114.58 117.47 2jnk h GLU 63 Ca -0.10 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.62 2jnk h GLU 63 Cb 1.53 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.24 2jnk h GLU 63 CO 0.06 -0.18 -0.25 0.45 -1.16 0.00 0.00 179.01 177.92 2jnk n SER 64 N -5.35 0.45 0.02 1.42 2.88 -1.26 -2.95 113.62 108.83 2jnk n SER 64 Ca -0.02 0.26 -0.07 0.00 -1.33 0.00 0.00 58.87 57.71 2jnk n SER 64 Cb 0.32 -0.25 0.11 0.00 -0.75 0.00 0.00 64.21 63.64 2jnk n SER 64 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2jnk h LEU 65 N 0.00 0.53 0.00 2.46 5.85 -0.93 0.91 115.31 124.13 2jnk h LEU 65 Ca 0.00 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.47 2jnk h LEU 65 Cb 0.61 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.49 2jnk h LEU 65 CO 0.00 0.92 -1.10 -1.84 -0.34 0.00 0.00 178.44 176.08 2jnk n GLU 66 N -4.00 0.30 -0.01 1.25 0.28 -0.03 -3.93 120.64 114.51 2jnk n GLU 66 Ca -0.02 -0.02 0.07 0.00 -0.16 0.00 0.00 57.16 57.03 2jnk n GLU 66 Cb 0.54 -1.58 -0.10 0.00 1.43 0.00 0.00 31.44 31.73 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 1.37 -0.59 0.12 -1.84 0.00 -1.15 -4.19 105.19 98.90 2jnk n GLY 67 Ca 0.02 -0.32 -0.18 0.00 0.00 0.00 0.00 46.02 45.54 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 1.26 0.29 -0.41 4.61 0.00 0.67 -3.30 119.26 122.38 2jnk h ALA 68 Ca 0.00 -1.15 -0.04 0.00 0.00 0.00 0.00 54.91 53.72 2jnk h ALA 68 Cb 0.60 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2jnk h ALA 68 CO 0.00 1.15 0.10 -0.84 0.00 0.00 0.00 179.25 179.66 2jnk h ILE 69 N 0.07 1.23 -0.48 0.00 3.07 -1.70 -1.06 117.51 118.64 2jnk h ILE 69 Ca -0.27 -0.79 0.14 0.00 1.55 0.00 0.00 64.86 65.49 2jnk h ILE 69 Cb 2.03 0.96 -0.02 0.00 -0.27 0.00 0.00 36.82 39.52 2jnk h ILE 69 CO 0.16 0.28 0.62 0.00 -1.05 0.00 0.00 178.15 178.15 2jnk h ALA 70 N 0.96 2.20 0.00 0.16 0.00 -1.73 0.20 119.26 121.04 2jnk h ALA 70 Ca 0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2jnk h ALA 70 Cb 0.31 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2jnk h ALA 70 CO 0.00 -0.87 -0.53 0.00 0.00 0.00 0.00 179.25 177.85 2jnk h ARG 71 N 0.00 0.00 -0.92 0.00 2.47 -1.32 -3.34 114.38 111.27 2jnk h ARG 71 Ca 0.23 0.00 0.24 0.00 -1.26 0.00 0.00 59.98 59.19 2jnk h ARG 71 Cb 1.46 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.73 2jnk h ARG 71 CO -0.00 0.05 0.64 0.35 0.56 0.00 0.00 179.97 181.57 2jnk h PHE 72 N -1.00 0.27 -0.47 3.04 3.57 -0.56 0.24 116.94 122.03 2jnk h PHE 72 Ca -0.02 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 2jnk h PHE 72 Cb 0.53 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 2jnk h PHE 72 CO -0.19 0.06 -0.04 -0.91 -2.23 0.00 0.00 178.31 174.99 2jnk h ASN 73 N 0.19 0.78 -1.30 0.41 2.35 -0.81 -3.08 115.58 114.12 2jnk h ASN 73 Ca 0.47 -0.21 -0.66 0.00 -0.55 0.00 0.00 56.30 55.35 2jnk h ASN 73 Cb 1.51 -0.21 -0.34 0.00 0.05 0.00 0.00 38.32 39.33 2jnk h ASN 73 CO -0.10 0.88 0.24 -1.54 -1.65 0.00 0.00 177.43 175.26 2jnk n SER 74 N -4.19 6.48 0.00 5.81 3.41 0.79 -4.46 113.62 121.45 2jnk n SER 74 Ca 0.02 -3.78 0.00 0.00 -0.26 0.00 0.00 58.87 54.85 2jnk n SER 74 Cb 0.33 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 2jnk n SER 74 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jnk n LEU 75 N -0.69 0.00 -2.11 1.04 4.77 -0.97 -4.02 117.00 115.01 2jnk n LEU 75 Ca 0.52 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.39 2jnk n LEU 75 Cb 0.62 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.57 2jnk n LEU 75 CO 0.54 0.00 1.50 0.00 -1.33 0.00 0.00 177.39 178.11 2jnk n LEU 76 N -1.55 4.56 -3.49 2.23 -0.00 -1.26 -4.12 117.00 113.36 2jnk n LEU 76 Ca 0.00 -2.82 -0.22 0.00 -0.00 0.00 0.00 56.01 52.97 2jnk n LEU 76 Cb 0.22 -1.22 0.04 0.00 -0.00 0.00 0.00 43.42 42.47 2jnk n LEU 76 CO 0.00 1.38 0.00 -0.38 -0.00 0.00 0.00 177.39 178.39 2jnk n ILE 77 N 2.61 -7.13 0.00 1.47 2.08 -1.04 -1.69 119.36 115.66 2jnk n ILE 77 Ca 0.38 -0.87 0.00 0.00 0.56 0.00 0.00 62.75 62.81 2jnk n ILE 77 Cb 0.77 -5.16 0.00 0.00 -0.75 0.00 0.00 39.64 34.50 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 -3.46 0.00 -0.06 0.38 -0.58 -1.03 -4.33 120.64 111.57 2jnk n GLU 78 Ca -0.09 0.00 0.17 0.00 -0.42 0.00 0.00 57.16 56.82 2jnk n GLU 78 Cb 0.59 0.00 0.26 0.00 -0.57 0.00 0.00 31.44 31.72 2jnk n GLU 78 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2jnk n GLU 79 N 0.00 0.02 -1.72 3.49 1.02 -1.26 0.11 120.64 122.29 2jnk n GLU 79 Ca 0.00 0.81 0.01 0.00 -0.02 0.00 0.00 57.16 57.96 2jnk n GLU 79 Cb 0.00 -2.07 0.06 0.00 -0.02 0.00 0.00 31.44 29.41 2jnk n GLU 79 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2jnk n SER 80 N -2.67 1.67 0.02 1.62 2.88 -1.26 -4.81 113.62 111.06 2jnk n SER 80 Ca 0.14 -2.54 0.13 0.00 -1.33 0.00 0.00 58.87 55.27 2jnk n SER 80 Cb 1.13 -0.39 0.42 0.00 -0.75 0.00 0.00 64.21 64.62 2jnk n SER 80 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2jnk n THR 81 N -0.20 0.10 -0.34 2.46 5.66 0.30 -3.97 114.28 118.29 2jnk n THR 81 Ca 0.12 -0.06 0.25 0.00 -3.05 0.00 0.00 64.05 61.32 2jnk n THR 81 Cb 0.96 -0.21 0.54 0.00 -1.55 0.00 0.00 70.33 70.07 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 4.90 1.19 -7.72 1.09 0.00 -1.88 -3.24 103.07 97.40 2jnk h GLY 82 Ca 0.00 -0.18 -0.57 0.00 0.00 0.00 0.00 47.33 46.58 2jnk h GLY 82 CO 0.00 -0.17 1.85 1.34 0.00 0.00 0.00 176.54 179.56 2jnk n ASP 83 N -4.62 4.33 0.31 0.19 2.03 -1.25 -4.63 116.55 112.90 2jnk n ASP 83 Ca 0.27 -2.85 -0.13 0.00 0.52 0.00 0.00 54.79 52.61 2jnk n ASP 83 Cb 0.97 -1.75 -0.06 0.00 -0.72 0.00 0.00 41.12 39.56 2jnk n ASP 83 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 2jnk h PHE 84 N 8.25 -0.80 0.00 -0.67 0.04 -1.83 -2.40 116.94 119.54 2jnk h PHE 84 Ca 0.38 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.13 2jnk h PHE 84 Cb 0.89 0.27 0.00 0.00 2.20 0.00 0.00 35.95 39.31 2jnk h PHE 84 CO 1.36 -0.48 0.00 -0.91 -0.60 0.00 0.00 178.31 177.68 2jnk h ASN 85 N -0.81 0.00 0.00 2.17 2.35 -1.87 -3.45 115.58 113.98 2jnk h ASN 85 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2jnk h ASN 85 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 2jnk h ASN 85 CO 0.11 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.50 2jnk n GLY 86 N -0.97 0.59 0.12 2.83 0.00 -0.90 -4.85 105.19 102.00 2jnk n GLY 86 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.03 2jnk n GLY 86 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2jnk h ASN 87 N 0.00 0.00 0.00 1.61 7.08 -1.87 -3.49 115.58 118.91 2jnk h ASN 87 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2jnk h ASN 87 Cb 0.11 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.35 2jnk h ASN 87 CO 0.00 0.48 0.00 0.61 -2.08 0.00 0.00 177.43 176.44 2jnk n GLY 88 N 1.30 0.69 3.45 9.14 0.00 -1.26 -5.13 105.19 113.37 2jnk n GLY 88 Ca -0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 46.02 45.86 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 0.54 -0.40 1.61 -2.85 -1.26 -5.11 119.74 112.64 2jnk s LYS 89 Ca 0.00 1.26 -0.02 0.00 -1.00 0.00 0.00 55.97 56.21 2jnk s LYS 89 Cb 0.00 0.69 0.11 0.00 -2.06 0.00 0.00 37.83 36.57 2jnk s LYS 89 CO 0.00 -0.33 0.18 0.42 0.10 0.00 0.00 175.35 175.72 2jnk s ILE 90 N 2.85 3.19 0.07 3.79 -1.09 -1.26 -4.57 121.20 124.18 2jnk s ILE 90 Ca 0.02 -2.05 0.00 0.00 -2.23 0.00 0.00 60.65 56.39 2jnk s ILE 90 Cb -0.13 -3.19 0.00 0.00 -1.58 0.00 0.00 42.46 37.56 2jnk s ILE 90 CO -0.19 -0.66 0.00 0.47 -1.23 0.00 0.00 174.94 173.33 2jnk n ASP 91 N 4.57 -0.61 0.08 3.58 8.00 -1.26 -4.95 116.55 125.96 2jnk n ASP 91 Ca -0.02 0.56 0.06 0.00 0.71 0.00 0.00 54.79 56.09 2jnk n ASP 91 Cb 0.41 0.99 -0.02 0.00 -0.02 0.00 0.00 41.12 42.48 2jnk n ASP 91 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 2jnk h ILE 92 N 0.00 0.31 0.00 0.53 6.09 -2.00 -3.31 117.51 119.13 2jnk h ILE 92 Ca 0.00 -1.56 0.00 0.00 -1.37 0.00 0.00 64.86 61.93 2jnk h ILE 92 Cb 0.00 1.87 0.00 0.00 0.47 0.00 0.00 36.82 39.16 2jnk h ILE 92 CO 0.00 0.18 0.00 0.61 -3.07 0.00 0.00 178.15 175.87 2jnk n GLY 93 N 1.27 -0.63 0.11 8.18 0.00 -1.26 -2.75 105.19 110.12 2jnk n GLY 93 Ca -0.04 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 2jnk n GLY 93 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jnk n ASP 94 N -0.94 1.46 -1.67 1.61 9.92 -1.25 -1.91 116.55 123.77 2jnk n ASP 94 Ca 0.13 0.25 -0.13 0.00 -0.53 0.00 0.00 54.79 54.51 2jnk n ASP 94 Cb 0.06 -0.37 0.20 0.00 -0.64 0.00 0.00 41.12 40.37 2jnk n ASP 94 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2jnk n LEU 95 N -3.24 5.37 0.00 0.64 4.77 -1.11 -3.77 117.00 119.67 2jnk n LEU 95 Ca -0.27 -3.66 0.00 0.00 -0.03 0.00 0.00 56.01 52.04 2jnk n LEU 95 Cb 1.05 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2jnk n LEU 95 CO 0.42 1.14 0.00 0.00 -1.33 0.00 0.00 177.39 177.62 2jnk n ALA 96 N -1.07 0.00 -0.50 -1.18 0.00 -1.20 -4.97 120.51 111.59 2jnk n ALA 96 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2jnk n ALA 96 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.78 2jnk n ALA 96 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2jnk n MET 97 N -0.56 0.00 0.14 0.00 1.56 -0.94 -4.20 117.12 113.12 2jnk n MET 97 Ca 0.00 0.14 -0.13 0.00 -0.27 0.00 0.00 57.70 57.44 2jnk n MET 97 Cb 0.00 -0.53 -0.08 0.00 2.15 0.00 0.00 33.22 34.76 2jnk n MET 97 CO 0.00 0.00 0.00 -0.24 -0.73 0.00 0.00 175.97 175.00 2jnk h VAL 98 N 0.00 0.78 0.00 1.12 3.04 -1.62 -2.98 116.25 116.60 2jnk h VAL 98 Ca 0.00 -0.53 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 2jnk h VAL 98 Cb 0.00 1.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.36 2jnk h VAL 98 CO 0.00 0.11 0.00 -1.20 -1.01 0.00 0.00 177.57 175.47 2jnk n SER 99 N -5.12 0.00 -0.02 3.17 7.64 -1.25 -2.13 113.62 115.90 2jnk n SER 99 Ca -0.09 0.34 -0.15 0.00 1.01 0.00 0.00 58.87 59.98 2jnk n SER 99 Cb 0.24 -0.37 -0.04 0.00 -1.01 0.00 0.00 64.21 63.03 2jnk n SER 99 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2jnk h LYS 100 N 0.00 0.75 0.00 1.43 3.11 -1.69 -3.35 116.57 116.82 2jnk h LYS 100 Ca 0.00 -0.56 -0.08 0.00 -2.81 0.00 0.00 60.65 57.20 2jnk h LYS 100 Cb 0.05 0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.37 2jnk h LYS 100 CO 0.00 1.18 -0.51 -0.91 -2.81 0.00 0.00 179.45 176.40 2jnk h ASN 101 N 0.53 0.00 -5.51 4.20 2.35 -1.56 -3.50 115.58 112.09 2jnk h ASN 101 Ca -0.03 -0.51 0.00 0.00 -0.55 0.00 0.00 56.30 55.22 2jnk h ASN 101 Cb 1.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.68 2jnk h ASN 101 CO 0.14 1.04 -0.00 -0.38 -1.65 0.00 0.00 177.43 176.59 2jnk n ILE 102 N -4.58 -0.90 -0.43 2.81 2.08 -1.13 -4.15 119.36 113.07 2jnk n ILE 102 Ca -0.15 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.16 2jnk n ILE 102 Cb 0.43 -2.24 0.00 0.00 -0.75 0.00 0.00 39.64 37.09 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 2.38 0.74 3.65 7.39 0.00 0.33 -4.68 105.19 115.00 2jnk n GLY 103 Ca 0.00 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.38 6.34 0.25 1.61 0.15 -1.26 -4.65 113.70 113.76 2jnk s SER 104 Ca 0.00 0.40 0.17 0.00 0.70 0.00 0.00 55.95 57.22 2jnk s SER 104 Cb 0.00 -2.21 0.06 0.00 -1.71 0.00 0.00 66.02 62.16 2jnk s SER 104 CO 0.00 -0.09 1.31 0.71 1.20 0.00 0.00 173.24 176.36 2jnk h THR 105 N 5.14 0.58 0.00 6.45 1.35 -1.87 -2.89 112.91 121.66 2jnk h THR 105 Ca -0.35 -1.87 0.00 0.00 -0.55 0.00 0.00 66.41 63.64 2jnk h THR 105 Cb 1.16 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 69.78 2jnk h THR 105 CO 0.69 0.33 0.00 0.35 -0.25 0.00 0.00 175.52 176.64 2jnk n THR 106 N -3.09 0.00 -2.53 6.82 -2.24 -1.26 -3.91 114.28 108.07 2jnk n THR 106 Ca -0.00 1.07 -0.41 0.00 -2.27 0.00 0.00 64.05 62.44 2jnk n THR 106 Cb 0.71 -2.03 -0.01 0.00 -2.10 0.00 0.00 70.33 66.90 2jnk n THR 106 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2jnk s ASN 107 N -2.08 6.65 -0.06 3.42 2.47 -1.26 -4.66 114.94 119.42 2jnk s ASN 107 Ca 0.00 -2.32 0.13 0.00 0.42 0.00 0.00 52.86 51.09 2jnk s ASN 107 Cb 0.00 -2.58 -0.23 0.00 -1.45 0.00 0.00 41.25 36.99 2jnk s ASN 107 CO 0.00 -1.37 0.61 0.41 -3.72 0.00 0.00 177.10 173.03 2jnk n THR 108 N 6.56 1.59 0.04 -5.21 -1.04 -1.25 -4.05 114.28 110.92 2jnk n THR 108 Ca 0.48 -0.80 0.22 0.00 -2.04 0.00 0.00 64.05 61.90 2jnk n THR 108 Cb 0.46 -1.00 0.66 0.00 -1.82 0.00 0.00 70.33 68.64 2jnk n THR 108 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 2jnk h SER 109 N 0.00 0.00 -0.54 8.00 0.87 -1.92 0.80 113.55 120.76 2jnk h SER 109 Ca -0.31 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.09 2jnk h SER 109 Cb 2.03 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 63.90 2jnk h SER 109 CO 0.07 0.00 0.20 -0.11 -0.53 0.00 0.00 176.83 176.47 2jnk n LEU 110 N -3.50 4.91 -4.16 2.23 0.00 -1.26 -4.81 117.00 110.42 2jnk n LEU 110 Ca 0.10 -2.55 -0.34 0.00 0.00 0.00 0.00 56.01 53.23 2jnk n LEU 110 Cb 0.84 -0.68 -0.14 0.00 0.00 0.00 0.00 43.42 43.43 2jnk n LEU 110 CO 0.25 0.68 -0.42 -1.81 0.00 0.00 0.00 177.39 176.09 2jnk s ASP 111 N -0.57 4.34 0.57 1.96 1.11 0.28 -4.86 116.67 119.50 2jnk s ASP 111 Ca 0.39 -1.03 0.37 0.00 0.18 0.00 0.00 52.55 52.46 2jnk s ASP 111 Cb 0.31 -1.63 1.41 0.00 1.07 0.00 0.00 42.92 44.08 2jnk s ASP 111 CO 0.10 -0.15 1.59 -0.07 1.18 0.00 0.00 175.17 177.81 2jnk h LEU 112 N 7.95 0.00 0.05 1.23 3.38 -1.85 0.52 115.31 126.59 2jnk h LEU 112 Ca -0.29 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.30 2jnk h LEU 112 Cb 1.09 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.79 2jnk h LEU 112 CO 0.55 0.00 -2.29 0.59 0.09 0.00 0.00 178.44 177.38 2jnk n ASN 113 N -3.75 2.00 -1.56 -0.43 4.13 -1.26 -2.46 115.26 111.94 2jnk n ASN 113 Ca 0.29 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 56.42 2jnk n ASN 113 Cb 1.50 -0.57 0.00 0.00 -1.54 0.00 0.00 39.78 39.18 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 -3.34 -1.66 0.00 3.52 5.02 0.18 -3.70 118.16 118.18 2jnk n LYS 114 Ca -0.40 0.57 0.15 0.00 -2.02 0.00 0.00 58.31 56.61 2jnk n LYS 114 Cb 1.02 -4.71 0.85 0.00 -0.02 0.00 0.00 35.03 32.17 2jnk n LYS 114 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2jnk n ASP 115 N -0.47 0.07 -0.11 4.39 -0.08 -1.26 -4.87 116.55 114.22 2jnk n ASP 115 Ca -0.12 -0.67 0.00 0.00 -1.51 0.00 0.00 54.79 52.49 2jnk n ASP 115 Cb 0.60 -0.11 0.00 0.00 2.34 0.00 0.00 41.12 43.94 2jnk n ASP 115 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jnk n GLY 116 N 1.13 1.03 3.16 0.27 0.00 -1.26 -5.03 105.19 104.49 2jnk n GLY 116 Ca 0.20 -0.47 0.05 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.58 -0.18 -0.39 1.61 0.01 -1.09 -2.39 113.70 108.69 2jnk s SER 117 Ca 0.00 0.14 -0.28 0.00 1.31 0.00 0.00 55.95 57.12 2jnk s SER 117 Cb 0.00 1.16 -0.03 0.00 0.21 0.00 0.00 66.02 67.36 2jnk s SER 117 CO 0.00 -0.03 1.97 -0.63 0.41 0.00 0.00 173.24 174.96 2jnk s ILE 118 N 2.83 3.30 0.00 1.44 -1.09 -1.25 -4.33 121.20 122.10 2jnk s ILE 118 Ca -0.06 0.28 0.00 0.00 -2.23 0.00 0.00 60.65 58.63 2jnk s ILE 118 Cb -0.08 -3.51 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 2jnk s ILE 118 CO -0.09 -0.39 0.00 -0.67 -1.23 0.00 0.00 174.94 172.55 2jnk n ASP 119 N 11.85 0.00 0.30 3.58 2.03 -1.26 0.12 116.55 133.17 2jnk n ASP 119 Ca 0.25 0.00 0.19 0.00 0.52 0.00 0.00 54.79 55.75 2jnk n ASP 119 Cb 0.49 0.00 0.89 0.00 -0.72 0.00 0.00 41.12 41.78 2jnk n ASP 119 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2jnk h GLU 120 N 0.00 0.00 0.00 -0.67 3.07 -2.01 -1.92 114.58 113.05 2jnk h GLU 120 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2jnk h GLU 120 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2jnk h GLU 120 CO 0.00 0.03 0.00 1.88 -1.40 0.00 0.00 179.01 179.52 2jnk h TYR 121 N 0.00 0.00 0.00 4.33 0.05 -1.95 -1.38 116.97 118.02 2jnk h TYR 121 Ca -0.00 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.71 2jnk h TYR 121 Cb 0.29 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 2jnk h TYR 121 CO 0.00 0.00 -1.38 0.39 -1.05 0.00 0.00 178.16 176.12 2jnk n GLU 122 N -2.31 0.62 -0.10 4.88 -0.58 -0.72 -4.14 120.64 118.30 2jnk n GLU 122 Ca 0.03 0.09 -0.20 0.00 -0.42 0.00 0.00 57.16 56.66 2jnk n GLU 122 Cb 0.30 -1.75 -0.12 0.00 -0.57 0.00 0.00 31.44 29.30 2jnk n GLU 122 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 2jnk n ILE 123 N -2.67 1.56 -0.44 -3.67 -0.00 -1.16 -4.47 119.36 108.51 2jnk n ILE 123 Ca -0.05 -0.57 0.35 0.00 -0.00 0.00 0.00 62.75 62.47 2jnk n ILE 123 Cb 0.67 -1.53 0.55 0.00 -0.00 0.00 0.00 39.64 39.33 2jnk n ILE 123 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 2jnk n SER 124 N -3.39 0.07 0.00 7.28 2.88 -0.53 0.11 113.62 120.04 2jnk n SER 124 Ca -0.43 0.85 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 2jnk n SER 124 Cb 0.99 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 2jnk n SER 124 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 2jnk n PHE 125 N -3.73 0.00 -0.24 0.66 7.35 -1.25 -4.24 117.46 116.01 2jnk n PHE 125 Ca 0.31 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.93 2jnk n PHE 125 Cb 1.33 -0.17 0.04 0.00 0.35 0.00 0.00 39.48 41.03 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 1.24 -0.96 -2.13 2.04 -1.68 0.40 117.51 116.42 2jnk h ILE 126 Ca 0.00 -0.74 0.27 0.00 1.00 0.00 0.00 64.86 65.39 2jnk h ILE 126 Cb 0.00 0.46 -0.14 0.00 -0.74 0.00 0.00 36.82 36.40 2jnk h ILE 126 CO 0.00 0.30 0.46 -1.13 0.00 0.00 0.00 178.15 177.78 2jnk h ASN 127 N 0.96 0.38 0.05 1.72 -1.24 0.55 0.58 115.58 118.57 2jnk h ASN 127 Ca 0.23 0.18 -0.35 0.00 0.71 0.00 0.00 56.30 57.07 2jnk h ASN 127 Cb 0.20 0.16 -0.04 0.00 0.73 0.00 0.00 38.32 39.36 2jnk h ASN 127 CO -0.02 -0.09 -1.95 1.57 -1.29 0.00 0.00 177.43 175.65 2jnk n HIS 128 N -5.07 0.77 -0.12 0.67 -0.00 -1.09 -4.18 115.22 106.19 2jnk n HIS 128 Ca 0.27 0.23 0.24 0.00 0.46 0.00 0.00 57.72 58.92 2jnk n HIS 128 Cb 0.83 -1.09 0.68 0.00 -0.12 0.00 0.00 29.99 30.29 2jnk n HIS 128 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 2jnk h ARG 129 N -0.43 0.05 0.00 1.57 9.65 0.41 -0.45 114.38 125.19 2jnk h ARG 129 Ca -0.47 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.40 2jnk h ARG 129 Cb 1.73 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 30.30 2jnk h ARG 129 CO -0.11 0.04 0.00 -0.89 2.80 0.00 0.00 179.97 181.80 2jnk n ILE 130 N -4.34 0.00 0.14 1.20 5.41 0.20 -1.99 119.36 119.98 2jnk n ILE 130 Ca 0.15 1.41 0.09 0.00 1.00 0.00 0.00 62.75 65.40 2jnk n ILE 130 Cb 0.79 -2.31 0.59 0.00 -0.71 0.00 0.00 39.64 38.00 2jnk n ILE 130 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2jnk h LEU 131 N 0.00 0.13 -2.04 1.39 4.07 -1.69 0.11 115.31 117.29 2jnk h LEU 131 Ca 0.00 -0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.03 2jnk h LEU 131 Cb 0.00 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 2jnk h LEU 131 CO 0.00 0.09 0.19 0.78 -1.08 0.00 0.00 178.44 178.42 2jnk h ASN 132 N 0.15 0.00 -0.47 -0.43 2.35 -0.89 -2.82 115.58 113.47 2jnk h ASN 132 Ca 0.09 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.54 2jnk h ASN 132 Cb 0.16 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.13 2jnk h ASN 132 CO -0.01 0.00 -1.06 -0.11 -1.65 0.00 0.00 177.43 174.60 2jnk n LEU 133 N -4.37 2.18 -4.77 1.61 0.00 -0.39 -5.06 117.00 106.21 2jnk n LEU 133 Ca 0.03 -3.31 -0.39 0.00 0.00 0.00 0.00 56.01 52.33 2jnk n LEU 133 Cb 0.34 0.30 -0.06 0.00 0.00 0.00 0.00 43.42 44.00 2jnk n LEU 133 CO 0.34 1.21 0.39 -0.70 0.00 0.00 0.00 177.39 178.64 2jnk s GLU 134 N -3.63 4.42 0.00 1.96 2.56 -0.11 -4.74 118.70 119.16 2jnk s GLU 134 Ca 0.32 0.95 0.00 0.00 0.00 0.00 0.00 54.97 56.24 2jnk s GLU 134 Cb 0.34 -3.31 0.00 0.00 2.00 0.00 0.00 34.13 33.16 2jnk s GLU 134 CO -0.03 0.43 0.00 1.58 -0.56 0.00 0.00 175.26 176.68 2jnk n HIS 135 N 2.33 0.00 -1.38 5.30 -0.00 -1.26 -5.02 115.22 115.18 2jnk n HIS 135 Ca -0.06 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.25 2jnk n HIS 135 Cb 0.50 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.30 2jnk n HIS 135 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jnk n HIS 136 N -0.64 -3.74 -0.07 1.57 8.25 -1.26 -4.95 115.22 114.38 2jnk n HIS 136 Ca 0.00 2.06 -0.15 0.00 -0.26 0.00 0.00 57.72 59.37 2jnk n HIS 136 Cb 0.00 -3.34 -0.05 0.00 1.12 0.00 0.00 29.99 27.72 2jnk n HIS 136 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2jnk n HIS 137 N -3.77 0.00 -2.83 4.41 1.44 -1.26 -5.09 115.22 108.12 2jnk n HIS 137 Ca -0.07 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.56 2jnk n HIS 137 Cb 0.60 -0.51 0.01 0.00 0.12 0.00 0.00 29.99 30.20 2jnk n HIS 137 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2jnk n HIS 138 N -3.75 -3.43 -4.10 -1.40 8.25 -1.26 -5.06 115.22 104.47 2jnk n HIS 138 Ca -0.27 1.38 -0.24 0.00 -0.26 0.00 0.00 57.72 58.33 2jnk n HIS 138 Cb 0.65 -4.05 -0.02 0.00 1.12 0.00 0.00 29.99 27.69 2jnk n HIS 138 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jnk n HIS 139 N -0.32 -0.15 -0.39 4.41 8.25 -1.26 -5.34 115.22 120.43 2jnk n HIS 139 Ca 0.12 -2.07 0.00 0.00 -0.26 0.00 0.00 57.72 55.51 2jnk n HIS 139 Cb 0.45 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 31.20 2jnk n HIS 139 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56