#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 -6.17 -2.38 7.83 8.00 -1.26 -4.05 116.55 118.52 2jnk n ASP 2 Ca 0.00 0.25 -0.33 0.00 0.71 0.00 0.00 54.79 55.41 2jnk n ASP 2 Cb 0.00 -0.69 0.06 0.00 -0.02 0.00 0.00 41.12 40.47 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 -2.28 2.90 -0.27 -1.24 4.01 -1.26 -4.76 118.16 115.26 2jnk n LYS 3 Ca 0.00 -3.54 0.07 0.00 -0.51 0.00 0.00 58.31 54.33 2jnk n LYS 3 Cb 0.10 -2.28 0.18 0.00 -0.51 0.00 0.00 35.03 32.52 2jnk n LYS 3 CO 0.00 0.00 0.00 1.15 -1.11 0.00 0.00 177.40 177.44 2jnk h THR 4 N 1.44 0.31 -0.55 -0.18 2.02 -1.98 0.85 112.91 114.82 2jnk h THR 4 Ca 0.55 -0.04 0.16 0.00 0.77 0.00 0.00 66.41 67.85 2jnk h THR 4 Cb 0.82 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 2jnk h THR 4 CO 1.39 0.02 0.58 0.78 0.37 0.00 0.00 175.52 178.66 2jnk h ASN 5 N 0.11 0.00 0.00 4.18 -0.26 -1.91 1.01 115.58 118.71 2jnk h ASN 5 Ca 0.44 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.18 2jnk h ASN 5 Cb 0.80 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.06 2jnk h ASN 5 CO -0.69 0.00 -0.20 0.18 -1.06 0.00 0.00 177.43 175.66 2jnk n LEU 6 N -3.68 0.64 0.03 1.61 4.77 0.28 -2.71 117.00 117.95 2jnk n LEU 6 Ca 0.11 0.35 0.22 0.00 -0.03 0.00 0.00 56.01 56.66 2jnk n LEU 6 Cb 0.79 -0.63 0.66 0.00 -2.33 0.00 0.00 43.42 41.91 2jnk n LEU 6 CO 0.28 -0.48 1.20 1.23 -1.33 0.00 0.00 177.39 178.28 2jnk h GLY 7 N -0.35 0.00 1.20 -0.72 0.00 -0.95 1.94 103.07 104.18 2jnk h GLY 7 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 2jnk h GLY 7 CO 0.00 0.00 -1.06 -2.09 0.00 0.00 0.00 176.54 173.39 2jnk h GLU 8 N 0.00 0.00 0.00 4.80 4.22 0.89 -2.85 114.58 121.64 2jnk h GLU 8 Ca 0.26 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.66 2jnk h GLU 8 Cb 1.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.81 2jnk h GLU 8 CO -0.00 0.20 -2.04 1.28 -2.18 0.00 0.00 179.01 176.27 2jnk n LEU 9 N -2.88 0.00 -0.11 1.64 4.77 0.40 -4.43 117.00 116.40 2jnk n LEU 9 Ca -0.04 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.73 2jnk n LEU 9 Cb 0.71 0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 41.75 2jnk n LEU 9 CO 0.41 0.06 -0.59 2.30 -1.33 0.00 0.00 177.39 178.24 2jnk n ILE 10 N -2.31 1.53 -0.37 -0.08 -5.35 0.56 -2.41 119.36 110.93 2jnk n ILE 10 Ca -0.07 -0.04 0.30 0.00 -0.27 0.00 0.00 62.75 62.67 2jnk n ILE 10 Cb 0.63 -2.05 0.56 0.00 -1.74 0.00 0.00 39.64 37.04 2jnk n ILE 10 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 2jnk h ASN 11 N -1.00 0.38 0.58 7.28 2.35 -1.67 1.25 115.58 124.74 2jnk h ASN 11 Ca -0.35 0.17 -0.28 0.00 -0.55 0.00 0.00 56.30 55.29 2jnk h ASN 11 Cb 1.28 0.15 -0.03 0.00 0.05 0.00 0.00 38.32 39.77 2jnk h ASN 11 CO -0.21 -0.19 -1.48 0.06 -1.65 0.00 0.00 177.43 173.96 2jnk h GLN 12 N 0.19 0.12 0.40 0.81 3.07 -1.77 -3.08 115.11 114.85 2jnk h GLN 12 Ca 0.77 -0.20 -0.02 0.00 0.09 0.00 0.00 58.65 59.29 2jnk h GLN 12 Cb 2.09 0.08 0.00 0.00 0.08 0.00 0.00 27.48 29.73 2jnk h GLN 12 CO -0.54 0.91 -0.19 0.78 0.09 0.00 0.00 178.83 179.88 2jnk h GLY 13 N 2.49 -0.56 2.00 0.06 0.00 0.15 0.41 103.07 107.62 2jnk h GLY 13 Ca -0.21 0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2jnk h GLY 13 CO 0.13 -0.21 -0.07 0.07 0.00 0.00 0.00 176.54 176.46 2jnk h LYS 14 N -1.04 0.00 0.00 4.80 2.10 0.15 0.13 116.57 122.71 2jnk h LYS 14 Ca -0.06 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.53 2jnk h LYS 14 Cb 0.52 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.84 2jnk h LYS 14 CO 0.09 0.07 -0.36 0.77 -2.00 0.00 0.00 179.45 178.02 2jnk h SER 15 N 0.00 0.00 0.24 7.07 0.02 -1.53 -2.36 113.55 116.99 2jnk h SER 15 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2jnk h SER 15 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2jnk h SER 15 CO 0.01 0.31 -0.12 0.25 -1.14 0.00 0.00 176.83 176.14 2jnk h LEU 16 N 0.00 -0.28 -0.91 5.07 5.85 0.23 -1.42 115.31 123.85 2jnk h LEU 16 Ca -0.01 0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.87 2jnk h LEU 16 Cb 1.24 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 42.25 2jnk h LEU 16 CO 0.04 0.17 0.52 0.25 -0.34 0.00 0.00 178.44 179.08 2jnk h LEU 17 N -1.07 0.67 -0.05 2.25 5.85 -1.05 1.29 115.31 123.20 2jnk h LEU 17 Ca -0.03 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2jnk h LEU 17 Cb 0.25 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2jnk h LEU 17 CO 0.05 0.29 -0.01 0.47 -0.34 0.00 0.00 178.44 178.91 2jnk n ASP 18 N -4.79 0.09 -0.09 1.25 9.92 -0.89 -3.31 116.55 118.74 2jnk n ASP 18 Ca 0.19 -0.80 -0.12 0.00 -0.53 0.00 0.00 54.79 53.53 2jnk n ASP 18 Cb 0.44 -0.07 -0.08 0.00 -0.64 0.00 0.00 41.12 40.77 2jnk n ASP 18 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2jnk n GLU 19 N -1.01 0.55 -1.55 -1.24 2.13 0.15 -4.99 120.64 114.68 2jnk n GLU 19 Ca 0.21 0.09 -0.29 0.00 0.66 0.00 0.00 57.16 57.83 2jnk n GLU 19 Cb 0.16 -1.35 0.16 0.00 0.27 0.00 0.00 31.44 30.68 2jnk n GLU 19 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2jnk s SER 20 N -5.61 3.12 -0.22 4.31 1.04 0.39 -5.06 113.70 111.68 2jnk s SER 20 Ca -0.22 0.80 -0.17 0.00 0.48 0.00 0.00 55.95 56.84 2jnk s SER 20 Cb 0.06 -1.24 0.06 0.00 0.10 0.00 0.00 66.02 65.00 2jnk s SER 20 CO 0.42 -2.78 0.57 0.54 0.98 0.00 0.00 173.24 172.97 2jnk s VAL 21 N -3.35 -0.00 -0.47 5.02 0.11 -1.26 -4.88 120.40 115.57 2jnk s VAL 21 Ca 0.66 0.02 -0.29 0.00 -2.93 0.00 0.00 61.98 59.44 2jnk s VAL 21 Cb -0.12 -0.81 0.02 0.00 -1.53 0.00 0.00 36.38 33.94 2jnk s VAL 21 CO 0.53 0.01 1.26 -1.83 -3.33 0.00 0.00 175.10 171.74 2jnk s GLU 22 N 0.81 3.63 0.00 1.54 -1.05 -1.25 -0.95 118.70 121.43 2jnk s GLU 22 Ca -0.04 0.67 0.00 0.00 -0.15 0.00 0.00 54.97 55.45 2jnk s GLU 22 Cb -0.05 -3.97 0.00 0.00 -0.44 0.00 0.00 34.13 29.67 2jnk s GLU 22 CO -0.06 -1.50 0.00 0.41 0.95 0.00 0.00 175.26 175.05 2jnk n GLY 23 N 4.98 0.75 0.00 -3.83 0.00 0.86 -4.77 105.19 103.17 2jnk n GLY 23 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.89 1.61 1.16 -1.24 -4.67 117.46 110.43 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 0.01 0.00 -1.61 0.00 0.00 39.48 37.88 2jnk n PHE 24 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 2jnk s ASN 25 N 0.00 -0.00 -0.19 5.98 3.84 -1.08 -4.12 114.94 119.37 2jnk s ASN 25 Ca 0.00 -0.08 -0.36 0.00 0.21 0.00 0.00 52.86 52.63 2jnk s ASN 25 Cb 0.00 0.07 -0.12 0.00 -0.55 0.00 0.00 41.25 40.64 2jnk s ASN 25 CO 0.00 -0.13 1.92 0.55 -2.79 0.00 0.00 177.10 176.65 2jnk n VAL 26 N -0.82 0.43 0.00 -5.21 3.14 -1.26 -0.28 118.33 114.34 2jnk n VAL 26 Ca 0.01 -0.14 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 2jnk n VAL 26 Cb 0.60 -1.71 0.00 0.00 -1.06 0.00 0.00 33.84 31.67 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 4.83 2.23 2.94 7.55 0.00 -0.74 -5.02 105.19 116.97 2jnk n GLY 27 Ca 0.27 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.24 0.75 0.69 1.61 2.02 0.62 -4.23 118.70 119.91 2jnk s GLU 28 Ca 0.00 -0.17 0.00 0.00 0.02 0.00 0.00 54.97 54.82 2jnk s GLU 28 Cb 0.00 -0.74 0.11 0.00 0.10 0.00 0.00 34.13 33.60 2jnk s GLU 28 CO 0.00 0.02 0.95 1.52 0.02 0.00 0.00 175.26 177.76 2jnk s TYR 29 N 0.47 1.73 -0.71 1.61 1.13 -0.12 -2.63 117.35 118.83 2jnk s TYR 29 Ca -0.06 -0.29 0.05 0.00 -1.41 0.00 0.00 57.07 55.36 2jnk s TYR 29 Cb -0.10 -2.88 0.21 0.00 -1.10 0.00 0.00 41.96 38.09 2jnk s TYR 29 CO 0.00 -1.55 0.65 1.58 -2.51 0.00 0.00 175.55 173.73 2jnk n HIS 30 N -2.72 3.48 -1.38 -3.49 -0.00 -1.26 0.30 115.22 110.15 2jnk n HIS 30 Ca 0.14 -4.19 0.16 0.00 0.46 0.00 0.00 57.72 54.29 2jnk n HIS 30 Cb 0.61 -0.66 -0.09 0.00 -0.12 0.00 0.00 29.99 29.73 2jnk n HIS 30 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 2jnk n LYS 31 N 1.49 -3.08 0.00 1.57 4.81 -1.26 -4.53 118.16 117.16 2jnk n LYS 31 Ca 0.24 2.53 0.00 0.00 -0.87 0.00 0.00 58.31 60.21 2jnk n LYS 31 Cb 0.38 -3.65 0.00 0.00 0.02 0.00 0.00 35.03 31.77 2jnk n LYS 31 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jnk n GLY 32 N -4.27 2.97 0.11 3.14 0.00 -1.26 -4.85 105.19 101.04 2jnk n GLY 32 Ca -0.09 0.00 -0.04 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 -0.16 -0.01 4.61 0.00 -1.94 -3.33 119.26 118.43 2jnk h ALA 33 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2jnk h ALA 33 Cb 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2jnk h ALA 33 CO 0.00 -0.15 -0.01 1.17 0.00 0.00 0.00 179.25 180.26 2jnk n LYS 34 N -4.87 -0.01 0.00 0.00 3.00 -1.26 -2.37 118.16 112.65 2jnk n LYS 34 Ca -0.03 0.72 0.00 0.00 -0.00 0.00 0.00 58.31 59.00 2jnk n LYS 34 Cb 0.11 -1.08 0.00 0.00 0.00 0.00 0.00 35.03 34.06 2jnk n LYS 34 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2jnk n ASP 35 N -2.76 0.00 0.00 3.14 2.03 -1.26 -0.88 116.55 116.82 2jnk n ASP 35 Ca 0.00 1.00 0.00 0.00 0.52 0.00 0.00 54.79 56.31 2jnk n ASP 35 Cb 0.00 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.90 2jnk n ASP 35 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jnk n GLY 36 N -1.00 -3.26 0.30 0.27 0.00 -1.00 0.47 105.19 100.98 2jnk n GLY 36 Ca 0.00 0.69 0.11 0.00 0.00 0.00 0.00 46.02 46.83 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 0.07 0.99 5.85 -1.54 1.00 115.31 121.68 2jnk h LEU 37 Ca 0.00 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.35 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 -2.12 1.07 -0.34 0.00 0.00 178.44 177.05 2jnk n THR 38 N -2.67 1.66 -0.18 1.05 5.66 0.14 -3.49 114.28 116.46 2jnk n THR 38 Ca -0.01 -0.56 0.19 0.00 -3.05 0.00 0.00 64.05 60.61 2jnk n THR 38 Cb 0.47 -1.67 0.55 0.00 -1.55 0.00 0.00 70.33 68.12 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 -0.10 0.72 -0.06 1.08 2.07 1.29 1.57 116.25 122.82 2jnk h VAL 39 Ca -0.48 -0.11 -0.16 0.00 0.82 0.00 0.00 66.70 66.76 2jnk h VAL 39 Cb 1.91 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 2jnk h VAL 39 CO -0.02 0.06 -0.68 1.05 0.02 0.00 0.00 177.57 178.00 2jnk h GLU 40 N 0.32 0.27 0.25 1.57 4.11 -1.43 -2.59 114.58 117.08 2jnk h GLU 40 Ca 0.40 -0.21 -0.01 0.00 0.07 0.00 0.00 59.36 59.61 2jnk h GLU 40 Cb 1.07 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2jnk h GLU 40 CO -0.11 0.85 -0.12 0.82 0.07 0.00 0.00 179.01 180.52 2jnk h ILE 41 N 0.19 0.00 -1.07 -1.06 1.08 0.15 1.40 117.51 118.20 2jnk h ILE 41 Ca -0.02 -0.65 0.37 0.00 -0.39 0.00 0.00 64.86 64.17 2jnk h ILE 41 Cb 1.23 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 34.83 2jnk h ILE 41 CO 0.11 0.00 0.63 0.78 -0.69 0.00 0.00 178.15 178.98 2jnk h ASN 42 N -0.98 0.41 0.19 1.72 2.35 0.15 1.08 115.58 120.50 2jnk h ASN 42 Ca -0.03 0.19 -0.32 0.00 -0.55 0.00 0.00 56.30 55.58 2jnk h ASN 42 Cb 0.25 0.16 0.02 0.00 0.05 0.00 0.00 38.32 38.80 2jnk h ASN 42 CO 0.06 -0.20 -1.55 0.50 -1.65 0.00 0.00 177.43 174.58 2jnk h LYS 43 N 0.20 0.41 0.59 0.81 3.64 -1.50 -3.26 116.57 117.46 2jnk h LYS 43 Ca 0.77 -0.70 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 2jnk h LYS 43 Cb 1.99 0.26 0.01 0.00 -0.41 0.00 0.00 32.23 34.08 2jnk h LYS 43 CO -0.59 1.33 -0.28 0.00 -2.27 0.00 0.00 179.45 177.65 2jnk h ALA 44 N 0.09 -0.79 -0.85 5.00 0.00 0.66 -2.98 119.26 120.41 2jnk h ALA 44 Ca -0.30 -0.20 0.19 0.00 0.00 0.00 0.00 54.91 54.60 2jnk h ALA 44 Cb 2.03 0.30 -0.12 0.00 0.00 0.00 0.00 17.79 20.01 2jnk h ALA 44 CO 0.19 -0.81 0.33 0.93 0.00 0.00 0.00 179.25 179.90 2jnk h GLU 45 N -1.06 0.38 -0.01 0.00 5.08 0.73 1.67 114.58 121.37 2jnk h GLU 45 Ca -0.08 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2jnk h GLU 45 Cb 0.66 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 2jnk h GLU 45 CO 0.13 0.25 0.04 0.93 -1.00 0.00 0.00 179.01 179.36 2jnk h GLU 46 N 0.39 0.00 0.00 2.33 4.39 -1.59 -1.59 114.58 118.51 2jnk h GLU 46 Ca 0.51 0.00 -0.39 0.00 0.34 0.00 0.00 59.36 59.82 2jnk h GLU 46 Cb 0.91 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.51 2jnk h GLU 46 CO -0.51 0.00 -2.13 0.28 -1.16 0.00 0.00 179.01 175.49 2jnk n VAL 47 N -3.33 1.54 -0.25 3.13 0.31 0.49 -3.43 118.33 116.79 2jnk n VAL 47 Ca -0.03 -0.29 0.06 0.00 -0.01 0.00 0.00 64.34 64.07 2jnk n VAL 47 Cb 0.12 -1.90 0.18 0.00 -0.91 0.00 0.00 33.84 31.32 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 -0.91 0.16 -0.38 3.52 3.57 0.11 0.61 116.94 123.61 2jnk h PHE 48 Ca -0.58 0.05 0.00 0.00 3.53 0.00 0.00 57.97 60.97 2jnk h PHE 48 Cb 1.55 0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.34 2jnk h PHE 48 CO -0.02 -0.15 0.00 0.09 -2.23 0.00 0.00 178.31 176.00 2jnk n ASN 49 N -5.23 2.39 -4.94 0.41 3.02 -0.63 -4.80 115.26 105.48 2jnk n ASN 49 Ca 0.14 -1.93 -0.25 0.00 -0.03 0.00 0.00 54.58 52.52 2jnk n ASN 49 Cb 0.48 -0.25 0.03 0.00 -0.61 0.00 0.00 39.78 39.43 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 -1.49 2.77 -0.18 3.52 2.20 0.21 -5.02 119.74 121.75 2jnk s LYS 50 Ca 0.32 -0.31 0.18 0.00 -0.36 0.00 0.00 55.97 55.80 2jnk s LYS 50 Cb 0.17 -2.37 -0.25 0.00 -1.51 0.00 0.00 37.83 33.87 2jnk s LYS 50 CO 0.24 -0.67 0.14 -1.91 -0.36 0.00 0.00 175.35 172.78 2jnk n GLU 51 N -2.46 0.68 -0.11 4.03 2.13 -1.26 -3.99 120.64 119.66 2jnk n GLU 51 Ca 0.05 0.01 0.01 0.00 0.66 0.00 0.00 57.16 57.90 2jnk n GLU 51 Cb 0.58 -1.55 0.06 0.00 0.27 0.00 0.00 31.44 30.81 2jnk n GLU 51 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2jnk n ASP 52 N -2.76 1.27 -2.40 4.31 9.92 -1.26 -4.26 116.55 121.36 2jnk n ASP 52 Ca -0.31 -2.08 -0.16 0.00 -0.53 0.00 0.00 54.79 51.71 2jnk n ASP 52 Cb 1.13 -0.33 -0.11 0.00 -0.64 0.00 0.00 41.12 41.17 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 -0.01 5.77 -1.59 2.24 0.00 -1.26 -3.48 120.51 122.18 2jnk n ALA 53 Ca 0.04 -1.91 0.00 0.00 0.00 0.00 0.00 53.44 51.57 2jnk n ALA 53 Cb 0.27 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 17.16 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 2.91 0.00 0.53 0.00 -2.24 -1.26 -4.49 114.28 109.73 2jnk n THR 54 Ca 0.44 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.34 2jnk n THR 54 Cb 0.61 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 68.99 2jnk n THR 54 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2jnk h GLU 55 N 0.00 0.00 0.03 -0.78 5.08 -1.98 -3.30 114.58 113.63 2jnk h GLU 55 Ca 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.97 2jnk h GLU 55 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 2jnk h GLU 55 CO 0.00 0.00 -2.33 0.39 -1.00 0.00 0.00 179.01 176.07 2jnk n GLU 56 N -2.16 0.66 0.06 2.33 4.71 -1.26 -4.59 120.64 120.39 2jnk n GLU 56 Ca 0.03 0.22 -0.22 0.00 -0.01 0.00 0.00 57.16 57.18 2jnk n GLU 56 Cb 0.45 -1.57 -0.15 0.00 -1.01 0.00 0.00 31.44 29.17 2jnk n GLU 56 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 2jnk h GLU 57 N -0.22 0.35 0.31 3.49 4.57 -1.75 -3.26 114.58 118.06 2jnk h GLU 57 Ca -0.56 -0.61 -0.01 0.00 -1.18 0.00 0.00 59.36 57.00 2jnk h GLU 57 Cb 1.84 0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 30.65 2jnk h GLU 57 CO -0.12 1.26 -0.28 0.82 -1.18 0.00 0.00 179.01 179.52 2jnk h ILE 58 N 0.10 0.00 -0.51 2.32 2.04 -1.79 1.06 117.51 120.73 2jnk h ILE 58 Ca -0.34 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.63 2jnk h ILE 58 Cb 2.08 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 2jnk h ILE 58 CO 0.17 0.00 0.35 0.78 0.00 0.00 0.00 178.15 179.45 2jnk h ASN 59 N -0.58 0.20 0.71 1.72 2.35 -1.81 1.26 115.58 119.43 2jnk h ASN 59 Ca -0.04 0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.60 2jnk h ASN 59 Cb 0.49 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 2jnk h ASN 59 CO -0.02 0.12 -0.57 -0.07 -1.65 0.00 0.00 177.43 175.24 2jnk h LEU 60 N 0.22 0.00 0.00 1.61 4.07 -1.45 -2.54 115.31 117.22 2jnk h LEU 60 Ca 0.24 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.20 2jnk h LEU 60 Cb 0.66 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.40 2jnk h LEU 60 CO -0.04 0.57 -1.44 0.00 -1.08 0.00 0.00 178.44 176.45 2jnk n ALA 61 N -2.38 3.06 0.09 1.53 0.00 0.36 -4.20 120.51 118.96 2jnk n ALA 61 Ca -0.01 -0.43 0.02 0.00 0.00 0.00 0.00 53.44 53.02 2jnk n ALA 61 Cb 0.60 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.53 0.00 5.09 0.14 -3.34 116.57 117.93 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 0.89 0.00 -0.09 0.00 0.10 0.00 0.00 32.23 33.13 2jnk h LYS 62 CO 0.00 0.40 -0.56 1.49 -2.09 0.00 0.00 179.45 178.69 2jnk h GLU 63 N 0.00 -0.30 0.00 0.07 4.57 -1.62 0.32 114.58 117.62 2jnk h GLU 63 Ca -0.07 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2jnk h GLU 63 Cb 1.47 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 30.12 2jnk h GLU 63 CO 0.06 -0.20 0.00 0.43 -1.18 0.00 0.00 179.01 178.12 2jnk n SER 64 N -5.29 0.53 -0.01 1.04 7.64 -1.26 -2.11 113.62 114.15 2jnk n SER 64 Ca -0.02 0.59 -0.18 0.00 1.01 0.00 0.00 58.87 60.26 2jnk n SER 64 Cb 0.32 -0.71 -0.08 0.00 -1.01 0.00 0.00 64.21 62.73 2jnk n SER 64 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2jnk h LEU 65 N 0.00 0.95 -0.23 -3.43 3.38 -0.61 0.47 115.31 115.84 2jnk h LEU 65 Ca 0.00 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.32 2jnk h LEU 65 Cb 0.50 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2jnk h LEU 65 CO 0.00 1.45 -0.44 -1.84 0.09 0.00 0.00 178.44 177.69 2jnk n GLU 66 N -3.92 0.37 -0.00 1.13 0.28 0.23 -3.75 120.64 114.97 2jnk n GLU 66 Ca -0.08 -0.23 0.02 0.00 -0.16 0.00 0.00 57.16 56.71 2jnk n GLU 66 Cb 0.77 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 32.12 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 1.44 0.33 0.13 -1.84 0.00 -0.90 -4.44 105.19 99.91 2jnk n GLY 67 Ca 0.08 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.31 1.04 -0.23 4.61 0.00 0.16 -3.49 120.51 121.29 2jnk n ALA 68 Ca 0.00 -0.77 -0.07 0.00 0.00 0.00 0.00 53.44 52.60 2jnk n ALA 68 Cb 0.06 -0.38 0.04 0.00 0.00 0.00 0.00 19.45 19.17 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 -0.38 1.24 -0.04 0.00 3.07 -1.69 0.38 117.51 120.09 2jnk h ILE 69 Ca -0.49 -0.75 0.01 0.00 1.55 0.00 0.00 64.86 65.18 2jnk h ILE 69 Cb 1.76 0.51 -0.00 0.00 -0.27 0.00 0.00 36.82 38.82 2jnk h ILE 69 CO -0.11 0.30 0.04 0.00 -1.05 0.00 0.00 178.15 177.33 2jnk h ALA 70 N 1.11 1.68 0.00 0.16 0.00 -1.78 0.27 119.26 120.70 2jnk h ALA 70 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2jnk h ALA 70 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2jnk h ALA 70 CO -0.02 -0.06 -0.14 -0.09 0.00 0.00 0.00 179.25 178.94 2jnk h ARG 71 N 0.00 0.00 -0.99 0.00 1.12 -1.03 -3.37 114.38 110.12 2jnk h ARG 71 Ca 0.02 0.00 0.20 0.00 -1.11 0.00 0.00 59.98 59.09 2jnk h ARG 71 Cb 0.10 0.00 -0.10 0.00 -0.01 0.00 0.00 29.97 29.96 2jnk h ARG 71 CO -0.00 0.00 0.62 0.35 -3.11 0.00 0.00 179.97 177.83 2jnk h PHE 72 N -0.90 0.95 -1.05 2.20 3.04 -0.13 -0.17 116.94 120.88 2jnk h PHE 72 Ca 0.00 0.03 0.31 0.00 3.98 0.00 0.00 57.97 62.29 2jnk h PHE 72 Cb 0.14 -0.28 -0.13 0.00 2.56 0.00 0.00 35.95 38.23 2jnk h PHE 72 CO -0.06 0.21 0.62 -0.91 -2.02 0.00 0.00 178.31 176.15 2jnk h ASN 73 N 0.67 0.51 -0.65 0.41 2.35 -0.61 0.87 115.58 119.13 2jnk h ASN 73 Ca 0.56 0.16 -0.26 0.00 -0.55 0.00 0.00 56.30 56.21 2jnk h ASN 73 Cb 1.00 0.09 -0.15 0.00 0.05 0.00 0.00 38.32 39.31 2jnk h ASN 73 CO -0.34 -0.06 0.25 -1.20 -1.65 0.00 0.00 177.43 174.44 2jnk n SER 74 N -4.91 3.90 -0.04 5.81 7.64 -0.09 -4.43 113.62 121.50 2jnk n SER 74 Ca 0.30 -3.43 -0.14 0.00 1.01 0.00 0.00 58.87 56.62 2jnk n SER 74 Cb 0.97 -0.72 -0.14 0.00 -1.01 0.00 0.00 64.21 63.31 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 -0.68 1.54 -2.20 -3.43 7.99 0.30 -3.74 117.00 116.79 2jnk n LEU 75 Ca 0.42 0.22 -0.08 0.00 -0.01 0.00 0.00 56.01 56.55 2jnk n LEU 75 Cb 1.32 -0.31 -0.11 0.00 -0.11 0.00 0.00 43.42 44.21 2jnk n LEU 75 CO 0.39 0.62 1.25 0.00 -1.51 0.00 0.00 177.39 178.13 2jnk n LEU 76 N -3.16 3.41 -3.62 2.23 -0.00 -1.25 -4.05 117.00 110.57 2jnk n LEU 76 Ca -0.28 -2.24 -0.29 0.00 -0.00 0.00 0.00 56.01 53.21 2jnk n LEU 76 Cb 1.06 -0.92 0.04 0.00 -0.00 0.00 0.00 43.42 43.60 2jnk n LEU 76 CO 0.42 0.91 -0.05 -0.38 -0.00 0.00 0.00 177.39 178.29 2jnk n ILE 77 N 2.71 -6.21 0.00 1.47 2.08 -1.18 -1.78 119.36 116.44 2jnk n ILE 77 Ca 0.28 -0.91 0.00 0.00 0.56 0.00 0.00 62.75 62.68 2jnk n ILE 77 Cb 0.58 -4.57 0.00 0.00 -0.75 0.00 0.00 39.64 34.90 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 -3.92 0.00 -0.01 0.38 0.00 -0.89 -4.20 120.64 112.01 2jnk n GLU 78 Ca -0.10 0.00 0.15 0.00 0.00 0.00 0.00 57.16 57.21 2jnk n GLU 78 Cb 0.59 0.00 0.23 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 -2.25 5.31 1.02 -1.26 0.33 120.64 123.80 2jnk n GLU 79 Ca 0.00 0.83 0.01 0.00 -0.02 0.00 0.00 57.16 57.99 2jnk n GLU 79 Cb 0.00 -2.14 0.04 0.00 -0.02 0.00 0.00 31.44 29.32 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 -2.64 1.15 0.00 1.62 2.88 -1.26 -4.86 113.62 110.51 2jnk n SER 80 Ca 0.12 -2.02 0.14 0.00 -1.33 0.00 0.00 58.87 55.78 2jnk n SER 80 Cb 1.12 -0.34 0.57 0.00 -0.75 0.00 0.00 64.21 64.81 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 -0.19 0.00 -0.06 2.46 5.66 0.15 -3.71 114.28 118.60 2jnk n THR 81 Ca 0.05 -0.00 0.25 0.00 -3.05 0.00 0.00 64.05 61.30 2jnk n THR 81 Cb 0.94 -0.40 0.70 0.00 -1.55 0.00 0.00 70.33 70.02 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 5.00 0.00 -7.38 1.09 0.00 -1.89 -3.25 103.07 96.63 2jnk h GLY 82 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 2jnk h GLY 82 CO 0.00 0.00 2.22 1.34 0.00 0.00 0.00 176.54 180.10 2jnk n ASP 83 N -3.80 4.34 0.14 0.19 2.03 -1.24 -4.68 116.55 113.52 2jnk n ASP 83 Ca 0.14 -2.86 -0.06 0.00 0.52 0.00 0.00 54.79 52.53 2jnk n ASP 83 Cb 0.90 -1.70 -0.03 0.00 -0.72 0.00 0.00 41.12 39.57 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 7.62 -0.35 0.00 -0.67 0.04 -1.86 -2.74 116.94 118.98 2jnk h PHE 84 Ca 0.44 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.20 2jnk h PHE 84 Cb 0.83 0.12 0.00 0.00 2.20 0.00 0.00 35.95 39.10 2jnk h PHE 84 CO 1.39 -0.21 0.00 0.09 -0.60 0.00 0.00 178.31 178.98 2jnk n ASN 85 N -3.01 0.46 0.00 2.17 3.02 -1.26 -4.67 115.26 111.97 2jnk n ASN 85 Ca -0.04 0.66 0.00 0.00 -0.03 0.00 0.00 54.58 55.17 2jnk n ASN 85 Cb 0.14 -0.74 0.00 0.00 -0.61 0.00 0.00 39.78 38.57 2jnk n ASN 85 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jnk n GLY 86 N -0.72 0.30 0.13 7.41 0.00 -1.03 -4.84 105.19 106.43 2jnk n GLY 86 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.48 115.58 118.92 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 0.40 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.64 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 1.27 0.78 3.39 9.14 0.00 -1.26 -5.12 105.19 113.38 2jnk n GLY 88 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.43 0.54 -0.38 1.61 0.00 -1.26 -5.13 119.74 115.55 2jnk s LYS 89 Ca 0.00 1.20 -0.08 0.00 0.00 0.00 0.00 55.97 57.09 2jnk s LYS 89 Cb 0.00 0.62 0.06 0.00 0.00 0.00 0.00 37.83 38.51 2jnk s LYS 89 CO 0.00 -0.38 0.18 0.42 0.00 0.00 0.00 175.35 175.57 2jnk s ILE 90 N 2.83 4.04 0.16 3.79 -1.09 -1.26 -4.68 121.20 125.00 2jnk s ILE 90 Ca 0.05 -1.24 0.00 0.00 -2.23 0.00 0.00 60.65 57.23 2jnk s ILE 90 Cb -0.13 -3.38 0.00 0.00 -1.58 0.00 0.00 42.46 37.37 2jnk s ILE 90 CO -0.19 -0.34 0.00 -0.67 -1.23 0.00 0.00 174.94 172.51 2jnk n ASP 91 N 4.87 -1.44 0.00 3.58 -0.08 -1.26 -4.94 116.55 117.28 2jnk n ASP 91 Ca -0.11 0.32 0.11 0.00 -1.51 0.00 0.00 54.79 53.60 2jnk n ASP 91 Cb 0.44 1.65 0.03 0.00 2.34 0.00 0.00 41.12 45.57 2jnk n ASP 91 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 2jnk n ILE 92 N -2.79 0.01 0.15 5.18 -5.35 -1.26 -4.00 119.36 111.30 2jnk n ILE 92 Ca 0.00 -0.01 0.08 0.00 -0.27 0.00 0.00 62.75 62.55 2jnk n ILE 92 Cb 0.00 0.67 0.44 0.00 -1.74 0.00 0.00 39.64 39.01 2jnk n ILE 92 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jnk n GLY 93 N 1.49 -0.71 0.08 3.28 0.00 -1.26 0.69 105.19 108.77 2jnk n GLY 93 Ca 0.04 0.15 -0.05 0.00 0.00 0.00 0.00 46.02 46.16 2jnk n GLY 93 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jnk n ASP 94 N -2.10 0.24 -1.34 1.61 -0.08 -1.26 -0.34 116.55 113.28 2jnk n ASP 94 Ca -0.01 0.11 -0.07 0.00 -1.51 0.00 0.00 54.79 53.31 2jnk n ASP 94 Cb 0.19 0.89 0.20 0.00 2.34 0.00 0.00 41.12 44.74 2jnk n ASP 94 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2jnk n LEU 95 N -2.74 4.58 0.00 -2.67 7.99 0.22 -4.19 117.00 120.20 2jnk n LEU 95 Ca -0.23 -3.70 0.00 0.00 -0.01 0.00 0.00 56.01 52.07 2jnk n LEU 95 Cb 1.01 -0.67 0.00 0.00 -0.11 0.00 0.00 43.42 43.65 2jnk n LEU 95 CO 0.44 1.19 0.00 0.00 -1.51 0.00 0.00 177.39 177.50 2jnk n ALA 96 N -1.07 0.00 -0.51 -1.18 0.00 0.61 -5.00 120.51 113.36 2jnk n ALA 96 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2jnk n ALA 96 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.59 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 -0.23 0.00 0.16 0.00 1.56 -1.14 -4.08 117.12 113.40 2jnk n MET 97 Ca 0.00 0.12 -0.14 0.00 -0.27 0.00 0.00 57.70 57.41 2jnk n MET 97 Cb 0.00 -0.50 -0.08 0.00 2.15 0.00 0.00 33.22 34.79 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 0.77 0.00 1.12 3.04 -0.98 -2.69 116.25 117.52 2jnk h VAL 98 Ca 0.00 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 2jnk h VAL 98 Cb 0.00 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 30.22 2jnk h VAL 98 CO 0.00 0.06 0.00 -1.54 -1.01 0.00 0.00 177.57 175.08 2jnk n SER 99 N -5.18 0.30 -0.00 3.17 3.41 -1.26 -1.77 113.62 112.29 2jnk n SER 99 Ca -0.10 0.63 -0.10 0.00 -0.26 0.00 0.00 58.87 59.05 2jnk n SER 99 Cb 0.21 -0.67 0.05 0.00 -0.26 0.00 0.00 64.21 63.53 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 0.58 0.00 4.33 3.11 -1.62 -3.33 116.57 119.64 2jnk h LYS 100 Ca 0.00 -0.37 -0.05 0.00 -2.81 0.00 0.00 60.65 57.43 2jnk h LYS 100 Cb 0.04 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.30 2jnk h LYS 100 CO 0.00 0.98 -0.36 -0.91 -2.81 0.00 0.00 179.45 176.34 2jnk h ASN 101 N 0.45 0.00 -5.77 4.20 2.35 -1.44 -3.50 115.58 111.87 2jnk h ASN 101 Ca 0.01 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 2jnk h ASN 101 Cb 1.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.47 2jnk h ASN 101 CO 0.10 0.89 -0.03 -0.38 -1.65 0.00 0.00 177.43 176.36 2jnk n ILE 102 N -4.63 -0.97 -3.47 2.81 2.08 -1.04 -3.61 119.36 110.54 2jnk n ILE 102 Ca -0.11 0.02 -0.20 0.00 0.56 0.00 0.00 62.75 63.02 2jnk n ILE 102 Cb 0.32 -2.35 0.08 0.00 -0.75 0.00 0.00 39.64 36.94 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 2.40 -0.41 0.09 7.39 0.00 0.22 -4.68 105.19 110.20 2jnk n GLY 103 Ca 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 2jnk n GLY 103 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2jnk h SER 104 N -2.26 0.00 -1.83 1.61 0.87 -1.83 -3.45 113.55 106.66 2jnk h SER 104 Ca -0.55 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 59.69 2jnk h SER 104 Cb 1.34 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.25 2jnk h SER 104 CO 0.51 0.87 -0.38 0.41 -0.53 0.00 0.00 176.83 177.71 2jnk n THR 105 N -3.45 -0.53 0.02 2.23 -1.04 -1.21 -4.80 114.28 105.50 2jnk n THR 105 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2jnk n THR 105 Cb 0.84 -2.18 0.00 0.00 -1.82 0.00 0.00 70.33 67.18 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 -3.56 0.03 -2.85 12.58 -1.04 -1.26 -4.99 114.28 113.18 2jnk n THR 106 Ca -0.18 0.01 -0.43 0.00 -2.04 0.00 0.00 64.05 61.40 2jnk n THR 106 Cb 0.61 -0.23 -0.02 0.00 -1.82 0.00 0.00 70.33 68.87 2jnk n THR 106 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2jnk s ASN 107 N -4.30 6.67 0.00 8.00 2.47 -1.26 -4.78 114.94 121.74 2jnk s ASN 107 Ca 0.00 -2.08 0.27 0.00 0.42 0.00 0.00 52.86 51.47 2jnk s ASN 107 Cb 0.00 -2.44 0.88 0.00 -1.45 0.00 0.00 41.25 38.24 2jnk s ASN 107 CO 0.00 -1.10 1.64 0.41 -3.72 0.00 0.00 177.10 174.33 2jnk n THR 108 N 5.65 0.00 0.26 -5.21 -1.04 -1.26 -4.16 114.28 108.52 2jnk n THR 108 Ca 0.28 -0.23 0.18 0.00 -2.04 0.00 0.00 64.05 62.23 2jnk n THR 108 Cb 0.48 0.56 0.85 0.00 -1.82 0.00 0.00 70.33 70.41 2jnk n THR 108 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2jnk h SER 109 N 2.20 0.00 0.00 8.00 4.64 -1.95 -2.22 113.55 124.21 2jnk h SER 109 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 2jnk h SER 109 Cb 0.55 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.61 2jnk h SER 109 CO 0.00 0.00 -0.96 -0.07 -0.87 0.00 0.00 176.83 174.93 2jnk h LEU 110 N 0.00 0.00 -4.63 5.97 3.38 -1.83 -3.47 115.31 114.73 2jnk h LEU 110 Ca 0.06 -0.61 -0.27 0.00 0.09 0.00 0.00 57.88 57.15 2jnk h LEU 110 Cb 0.66 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 2jnk h LEU 110 CO -0.00 1.37 1.05 0.47 0.09 0.00 0.00 178.44 181.42 2jnk n ASP 111 N -4.48 -0.04 0.06 -0.43 8.00 -0.84 -4.64 116.55 114.18 2jnk n ASP 111 Ca -0.27 0.02 0.21 0.00 0.71 0.00 0.00 54.79 55.46 2jnk n ASP 111 Cb 0.63 -0.49 0.67 0.00 -0.02 0.00 0.00 41.12 41.91 2jnk n ASP 111 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2jnk h LEU 112 N 6.83 0.00 0.00 0.64 4.07 -1.86 -0.21 115.31 124.77 2jnk h LEU 112 Ca -0.02 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.82 2jnk h LEU 112 Cb 0.74 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.46 2jnk h LEU 112 CO 0.83 0.00 -0.95 0.59 -1.08 0.00 0.00 178.44 177.83 2jnk n ASN 113 N -3.48 1.84 -0.08 -0.43 4.13 -1.25 -2.09 115.26 113.90 2jnk n ASN 113 Ca 0.10 0.52 0.00 0.00 1.68 0.00 0.00 54.58 56.88 2jnk n ASN 113 Cb 0.81 -0.90 0.00 0.00 -1.54 0.00 0.00 39.78 38.15 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 -4.51 0.00 0.00 3.52 5.02 -0.09 -2.78 118.16 119.31 2jnk n LYS 114 Ca -0.20 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.24 2jnk n LYS 114 Cb 0.48 -1.20 0.75 0.00 -0.02 0.00 0.00 35.03 35.04 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 0.70 0.09 -0.18 4.39 2.03 -1.26 -4.89 116.55 117.43 2jnk n ASP 115 Ca 0.00 -0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.00 2jnk n ASP 115 Cb 0.20 -0.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 2jnk n ASP 115 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jnk n GLY 116 N 1.26 0.96 3.18 0.27 0.00 -1.26 -5.05 105.19 104.54 2jnk n GLY 116 Ca 0.15 -0.50 0.05 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.65 -0.19 -0.39 1.61 0.01 -1.26 -3.33 113.70 107.51 2jnk s SER 117 Ca 0.00 0.16 -0.28 0.00 1.31 0.00 0.00 55.95 57.15 2jnk s SER 117 Cb 0.00 1.17 -0.03 0.00 0.21 0.00 0.00 66.02 67.37 2jnk s SER 117 CO 0.00 -0.04 1.99 -0.63 0.41 0.00 0.00 173.24 174.98 2jnk s ILE 118 N 2.67 3.28 0.00 1.44 -1.09 -1.26 -4.36 121.20 121.89 2jnk s ILE 118 Ca -0.05 0.26 0.00 0.00 -2.23 0.00 0.00 60.65 58.63 2jnk s ILE 118 Cb -0.06 -3.48 0.00 0.00 -1.58 0.00 0.00 42.46 37.34 2jnk s ILE 118 CO -0.11 -0.37 0.00 -0.67 -1.23 0.00 0.00 174.94 172.56 2jnk n ASP 119 N 11.97 0.00 0.21 3.58 2.03 -1.26 0.71 116.55 133.79 2jnk n ASP 119 Ca 0.26 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.72 2jnk n ASP 119 Cb 0.49 0.00 0.59 0.00 -0.72 0.00 0.00 41.12 41.48 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 5.08 -1.94 -2.92 114.58 114.13 2jnk h GLU 120 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jnk h GLU 120 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2jnk h GLU 120 CO 0.00 0.00 0.00 1.88 -1.00 0.00 0.00 179.01 179.89 2jnk h TYR 121 N 0.00 0.00 0.00 4.33 0.05 -1.91 -2.96 116.97 116.47 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 0.47 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.21 2jnk h TYR 121 CO 0.00 0.00 0.00 0.39 -1.05 0.00 0.00 178.16 177.50 2jnk n GLU 122 N -2.84 0.00 -0.65 4.88 -0.58 -1.10 -4.12 120.64 116.23 2jnk n GLU 122 Ca 0.01 0.04 0.50 0.00 -0.42 0.00 0.00 57.16 57.30 2jnk n GLU 122 Cb 0.30 -0.31 0.80 0.00 -0.57 0.00 0.00 31.44 31.66 2jnk n GLU 122 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 2jnk h ILE 123 N 0.00 0.04 -1.38 -3.67 -2.65 -1.74 -1.58 117.51 106.54 2jnk h ILE 123 Ca 0.00 0.00 0.45 0.00 1.03 0.00 0.00 64.86 66.34 2jnk h ILE 123 Cb 0.00 0.04 -0.11 0.00 -2.05 0.00 0.00 36.82 34.70 2jnk h ILE 123 CO 0.00 0.00 0.93 -1.54 0.03 0.00 0.00 178.15 177.57 2jnk n SER 124 N -3.90 0.13 0.00 2.16 3.41 -1.12 -0.57 113.62 113.73 2jnk n SER 124 Ca 0.42 1.11 0.00 0.00 -0.26 0.00 0.00 58.87 60.13 2jnk n SER 124 Cb 1.93 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 65.33 2jnk n SER 124 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2jnk n PHE 125 N -4.21 0.00 -0.32 7.33 7.35 -0.59 -4.07 117.46 122.94 2jnk n PHE 125 Ca 0.37 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.95 2jnk n PHE 125 Cb 1.50 -0.21 -0.08 0.00 0.35 0.00 0.00 39.48 41.04 2jnk n PHE 125 CO 0.00 0.00 0.00 -0.84 -0.76 0.00 0.00 176.76 175.16 2jnk h ILE 126 N 0.00 0.01 -1.50 -2.13 -2.65 -1.65 0.95 117.51 110.54 2jnk h ILE 126 Ca 0.00 0.00 0.44 0.00 1.03 0.00 0.00 64.86 66.33 2jnk h ILE 126 Cb 0.00 0.01 -0.08 0.00 -2.05 0.00 0.00 36.82 34.70 2jnk h ILE 126 CO 0.00 0.00 1.06 0.78 0.03 0.00 0.00 178.15 180.02 2jnk h ASN 127 N -0.13 0.07 0.00 2.16 2.35 -1.08 0.43 115.58 119.37 2jnk h ASN 127 Ca 0.15 0.03 -0.14 0.00 -0.55 0.00 0.00 56.30 55.79 2jnk h ASN 127 Cb 0.49 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 2jnk h ASN 127 CO -0.83 -0.02 -1.14 1.41 -1.65 0.00 0.00 177.43 175.20 2jnk n HIS 128 N -4.19 0.67 -0.27 1.19 8.25 0.21 -4.02 115.22 117.05 2jnk n HIS 128 Ca 0.35 0.29 0.25 0.00 -0.26 0.00 0.00 57.72 58.35 2jnk n HIS 128 Cb 1.55 -0.87 0.60 0.00 1.12 0.00 0.00 29.99 32.39 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 -1.00 0.23 0.48 -0.41 1.12 0.14 0.54 114.38 115.48 2jnk h ARG 129 Ca -0.22 -0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 58.61 2jnk h ARG 129 Cb 1.01 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.92 2jnk h ARG 129 CO -0.13 0.16 -0.23 0.82 -3.11 0.00 0.00 179.97 177.47 2jnk h ILE 130 N 0.24 0.00 -0.12 1.20 2.04 -0.37 -2.99 117.51 117.51 2jnk h ILE 130 Ca 0.51 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 66.36 2jnk h ILE 130 Cb 1.58 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 2jnk h ILE 130 CO -0.15 0.00 0.10 -0.07 0.00 0.00 0.00 178.15 178.03 2jnk h LEU 131 N -0.69 0.00 -2.00 1.44 3.38 -1.54 -1.17 115.31 114.73 2jnk h LEU 131 Ca -0.07 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.01 2jnk h LEU 131 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2jnk h LEU 131 CO 0.11 0.00 0.26 0.78 0.09 0.00 0.00 178.44 179.68 2jnk h ASN 132 N 0.00 0.00 0.00 -0.43 2.35 -0.76 -2.50 115.58 114.24 2jnk h ASN 132 Ca 0.06 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 2jnk h ASN 132 Cb 0.26 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 2jnk h ASN 132 CO -0.00 0.00 -0.21 0.25 -1.65 0.00 0.00 177.43 175.82 2jnk h LEU 133 N 0.00 0.00 -0.91 1.61 6.46 -1.16 -3.48 115.31 117.83 2jnk h LEU 133 Ca 0.17 -0.92 -0.39 0.00 -0.12 0.00 0.00 57.88 56.63 2jnk h LEU 133 Cb 0.70 -0.00 0.14 0.00 -0.73 0.00 0.00 40.66 40.77 2jnk h LEU 133 CO -0.00 1.08 -0.67 -0.62 -0.62 0.00 0.00 178.44 177.61 2jnk n GLU 134 N -4.58 -7.77 -3.59 1.25 -0.58 -0.94 -4.99 120.64 99.44 2jnk n GLU 134 Ca -0.14 0.82 -0.02 0.00 -0.42 0.00 0.00 57.16 57.40 2jnk n GLU 134 Cb 0.51 -5.83 -0.05 0.00 -0.57 0.00 0.00 31.44 25.51 2jnk n GLU 134 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2jnk s HIS 135 N -3.32 -1.07 0.30 -0.32 2.46 -1.26 -5.15 115.29 106.93 2jnk s HIS 135 Ca 0.54 1.92 -0.25 0.00 0.47 0.00 0.00 55.06 57.75 2jnk s HIS 135 Cb -0.24 0.64 -0.09 0.00 -0.13 0.00 0.00 32.58 32.76 2jnk s HIS 135 CO 0.72 -0.53 0.90 -1.58 -2.47 0.00 0.00 174.74 171.77 2jnk s HIS 136 N 2.41 3.69 -0.42 3.88 2.46 -1.26 -5.04 115.29 121.02 2jnk s HIS 136 Ca -0.06 1.71 0.05 0.00 0.47 0.00 0.00 55.06 57.22 2jnk s HIS 136 Cb -0.09 -2.86 0.17 0.00 -0.13 0.00 0.00 32.58 29.67 2jnk s HIS 136 CO -0.18 0.25 0.49 -3.38 -2.47 0.00 0.00 174.74 169.44 2jnk s HIS 137 N -1.58 -0.59 -0.30 3.88 -3.43 -1.26 -5.08 115.29 106.92 2jnk s HIS 137 Ca 0.48 -0.83 -0.13 0.00 -0.80 0.00 0.00 55.06 53.78 2jnk s HIS 137 Cb -0.18 -0.21 0.18 0.00 -1.43 0.00 0.00 32.58 30.93 2jnk s HIS 137 CO 0.23 -1.05 1.08 -1.58 -2.00 0.00 0.00 174.74 171.42 2jnk s HIS 138 N 1.16 -0.41 0.46 0.38 5.04 -1.26 -5.15 115.29 115.51 2jnk s HIS 138 Ca 0.22 0.29 0.00 0.00 -1.54 0.00 0.00 55.06 54.03 2jnk s HIS 138 Cb -0.07 0.09 0.00 0.00 0.04 0.00 0.00 32.58 32.64 2jnk s HIS 138 CO -0.06 -0.23 0.00 0.72 -2.34 0.00 0.00 174.74 172.82 2jnk n HIS 139 N 5.22 -3.73 0.11 3.88 8.25 -1.26 -5.33 115.22 122.36 2jnk n HIS 139 Ca 0.04 1.94 0.01 0.00 -0.26 0.00 0.00 57.72 59.45 2jnk n HIS 139 Cb 0.57 -3.39 0.05 0.00 1.12 0.00 0.00 29.99 28.34 2jnk n HIS 139 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70