#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 1.83 -3.67 7.83 8.00 -1.26 -4.73 116.55 124.55 2jnk n ASP 2 Ca 0.00 -3.14 -0.17 0.00 0.71 0.00 0.00 54.79 52.19 2jnk n ASP 2 Cb 0.00 -0.62 -0.01 0.00 -0.02 0.00 0.00 41.12 40.48 2jnk n ASP 2 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 2jnk n LYS 3 N 0.46 -0.80 -0.10 -1.24 0.00 -1.21 -4.82 118.16 110.45 2jnk n LYS 3 Ca 0.26 -0.19 -0.18 0.00 -0.00 0.00 0.00 58.31 58.21 2jnk n LYS 3 Cb 0.55 -0.75 -0.08 0.00 -0.00 0.00 0.00 35.03 34.74 2jnk n LYS 3 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2jnk n THR 4 N -2.57 1.50 -0.17 0.58 -1.04 -1.26 -3.35 114.28 107.97 2jnk n THR 4 Ca -0.07 0.01 0.26 0.00 -2.04 0.00 0.00 64.05 62.21 2jnk n THR 4 Cb 0.25 -2.13 0.68 0.00 -1.82 0.00 0.00 70.33 67.31 2jnk n THR 4 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 2jnk h ASN 5 N -1.00 0.07 0.04 8.00 -0.00 -1.97 0.11 115.58 120.82 2jnk h ASN 5 Ca -0.28 0.01 -0.00 0.00 -0.00 0.00 0.00 56.30 56.03 2jnk h ASN 5 Cb 1.11 -0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.43 2jnk h ASN 5 CO -0.17 0.03 -0.02 -0.07 -0.00 0.00 0.00 177.43 177.20 2jnk h LEU 6 N 0.07 -0.04 -1.55 0.34 -0.00 -1.96 -1.31 115.31 110.86 2jnk h LEU 6 Ca 0.41 0.00 0.15 0.00 -0.00 0.00 0.00 57.88 58.44 2jnk h LEU 6 Cb 1.53 0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 42.18 2jnk h LEU 6 CO -0.04 0.07 0.70 1.23 -0.00 0.00 0.00 178.44 180.41 2jnk h GLY 7 N -0.26 0.00 0.50 0.83 0.00 -1.50 1.61 103.07 104.24 2jnk h GLY 7 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2jnk h GLY 7 CO 0.01 0.00 -1.49 -1.84 0.00 0.00 0.00 176.54 173.22 2jnk n GLU 8 N -3.35 0.62 -0.01 4.80 -0.00 0.00 -2.82 120.64 119.89 2jnk n GLU 8 Ca 0.10 -0.04 0.11 0.00 -0.00 0.00 0.00 57.16 57.33 2jnk n GLU 8 Cb 0.88 -1.67 -0.16 0.00 -0.00 0.00 0.00 31.44 30.49 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 -2.45 0.12 -0.05 -1.84 4.77 0.30 -4.39 117.00 113.46 2jnk n LEU 9 Ca -0.02 -0.06 -0.14 0.00 -0.03 0.00 0.00 56.01 55.76 2jnk n LEU 9 Cb 0.56 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.51 2jnk n LEU 9 CO 0.43 0.03 -0.87 2.30 -1.33 0.00 0.00 177.39 177.95 2jnk n ILE 10 N -2.16 1.60 -0.20 -0.08 -5.35 0.47 -3.39 119.36 110.25 2jnk n ILE 10 Ca -0.03 -0.73 0.30 0.00 -0.27 0.00 0.00 62.75 62.02 2jnk n ILE 10 Cb 0.54 -1.20 0.72 0.00 -1.74 0.00 0.00 39.64 37.95 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 0.02 0.00 0.31 7.28 -0.26 -1.68 0.49 115.58 121.74 2jnk h ASN 11 Ca -0.43 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 54.99 2jnk h ASN 11 Cb 2.05 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 39.26 2jnk h ASN 11 CO 0.05 0.00 -1.93 0.00 -1.06 0.00 0.00 177.43 174.48 2jnk n GLN 12 N -4.01 0.67 0.12 0.81 10.64 -1.26 -3.82 117.38 120.53 2jnk n GLN 12 Ca 0.20 0.22 -0.05 0.00 -1.83 0.00 0.00 57.00 55.54 2jnk n GLN 12 Cb 1.09 -1.71 -0.03 0.00 -0.86 0.00 0.00 30.24 28.73 2jnk n GLN 12 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 2jnk h GLY 13 N 3.12 -0.56 1.45 2.61 0.00 -0.07 1.25 103.07 110.87 2jnk h GLY 13 Ca -0.38 0.23 0.04 0.00 0.00 0.00 0.00 47.33 47.22 2jnk h GLY 13 CO 0.06 -0.20 0.24 0.07 0.00 0.00 0.00 176.54 176.71 2jnk h LYS 14 N -0.34 0.00 0.00 4.80 -0.00 -1.60 0.56 116.57 119.99 2jnk h LYS 14 Ca -0.03 0.00 -0.14 0.00 -0.00 0.00 0.00 60.65 60.48 2jnk h LYS 14 Cb 0.27 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.48 2jnk h LYS 14 CO 0.03 0.00 -0.92 1.03 -0.00 0.00 0.00 179.45 179.59 2jnk h SER 15 N 0.00 0.00 0.22 7.07 0.87 -1.53 -2.85 113.55 117.34 2jnk h SER 15 Ca 0.06 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2jnk h SER 15 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2jnk h SER 15 CO -0.00 0.56 -0.11 -0.07 -0.53 0.00 0.00 176.83 176.68 2jnk h LEU 16 N 0.00 -0.25 -1.72 2.23 3.38 0.68 -2.80 115.31 116.83 2jnk h LEU 16 Ca -0.07 -0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.03 2jnk h LEU 16 Cb 1.49 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 42.26 2jnk h LEU 16 CO 0.06 0.22 0.48 -0.07 0.09 0.00 0.00 178.44 179.22 2jnk h LEU 17 N -1.07 0.26 -0.90 1.67 3.38 -1.26 0.25 115.31 117.64 2jnk h LEU 17 Ca -0.03 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2jnk h LEU 17 Cb 0.26 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2jnk h LEU 17 CO 0.05 0.13 -0.07 0.44 0.09 0.00 0.00 178.44 179.08 2jnk h ASP 18 N 0.28 0.00 0.00 -0.43 5.19 -1.55 -3.38 116.42 116.52 2jnk h ASP 18 Ca 0.34 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.75 2jnk h ASP 18 Cb 0.94 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.45 2jnk h ASP 18 CO -0.08 0.07 -0.35 -0.62 -3.12 0.00 0.00 179.24 175.14 2jnk n GLU 19 N -3.16 0.19 -1.50 3.56 1.02 0.59 -4.90 120.64 116.43 2jnk n GLU 19 Ca 0.02 0.07 -0.44 0.00 -0.02 0.00 0.00 57.16 56.79 2jnk n GLU 19 Cb 0.42 -0.79 -0.07 0.00 -0.02 0.00 0.00 31.44 30.98 2jnk n GLU 19 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2jnk n SER 20 N -3.25 2.00 -4.87 1.62 3.41 0.43 -4.91 113.62 108.04 2jnk n SER 20 Ca -0.05 0.05 -0.34 0.00 -0.26 0.00 0.00 58.87 58.27 2jnk n SER 20 Cb 0.18 -1.34 -0.05 0.00 -0.26 0.00 0.00 64.21 62.74 2jnk n SER 20 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jnk s VAL 21 N 9.30 5.31 -0.43 -3.33 0.11 -1.25 -4.75 120.40 125.36 2jnk s VAL 21 Ca 1.09 -0.12 -0.29 0.00 -2.93 0.00 0.00 61.98 59.73 2jnk s VAL 21 Cb -0.65 -3.43 0.01 0.00 -1.53 0.00 0.00 36.38 30.78 2jnk s VAL 21 CO 0.40 0.40 1.42 -1.83 -3.33 0.00 0.00 175.10 172.16 2jnk s GLU 22 N -1.69 3.54 0.00 1.54 4.04 -1.25 -1.12 118.70 123.75 2jnk s GLU 22 Ca 0.24 0.89 0.00 0.00 0.04 0.00 0.00 54.97 56.14 2jnk s GLU 22 Cb -0.12 -4.04 0.00 0.00 0.02 0.00 0.00 34.13 29.99 2jnk s GLU 22 CO 0.14 -1.61 0.00 0.41 -1.84 0.00 0.00 175.26 172.36 2jnk n GLY 23 N 5.11 0.47 0.00 -3.83 0.00 0.90 -4.76 105.19 103.08 2jnk n GLY 23 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2jnk n GLY 23 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2jnk n PHE 24 N -0.08 0.00 0.00 1.61 1.16 -1.25 -4.66 117.46 114.24 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 0.09 -1.87 0.00 0.00 176.76 174.98 2jnk n ASN 25 N 0.00 0.00 -4.69 5.98 4.13 -1.13 -3.97 115.26 115.58 2jnk n ASN 25 Ca 0.00 0.00 -0.50 0.00 1.68 0.00 0.00 54.58 55.76 2jnk n ASN 25 Cb 0.00 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.19 2jnk n ASN 25 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 2jnk n VAL 26 N -0.08 0.53 0.00 2.41 3.14 -1.26 -0.23 118.33 122.84 2jnk n VAL 26 Ca 0.00 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 2jnk n VAL 26 Cb 0.00 -1.76 0.00 0.00 -1.06 0.00 0.00 33.84 31.02 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 4.36 2.15 2.91 7.55 0.00 -0.78 -5.03 105.19 116.35 2jnk n GLY 27 Ca 0.23 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.77 0.42 0.58 1.61 8.01 0.68 -3.79 118.70 125.44 2jnk s GLU 28 Ca 0.00 -0.10 0.07 0.00 0.01 0.00 0.00 54.97 54.95 2jnk s GLU 28 Cb 0.00 -0.46 0.08 0.00 -4.31 0.00 0.00 34.13 29.45 2jnk s GLU 28 CO 0.00 0.02 0.80 1.52 0.01 0.00 0.00 175.26 177.61 2jnk s TYR 29 N 0.30 1.69 0.00 1.61 1.13 -0.28 -2.85 117.35 118.94 2jnk s TYR 29 Ca -0.03 -0.57 0.00 0.00 -1.41 0.00 0.00 57.07 55.06 2jnk s TYR 29 Cb -0.06 -2.40 0.00 0.00 -1.10 0.00 0.00 41.96 38.39 2jnk s TYR 29 CO -0.00 -1.15 0.00 1.58 -2.51 0.00 0.00 175.55 173.47 2jnk n HIS 30 N -2.30 0.00 -3.58 -3.49 -0.00 -1.26 0.31 115.22 104.89 2jnk n HIS 30 Ca 0.14 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.75 2jnk n HIS 30 Cb 0.61 -0.34 -0.06 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 -0.90 0.65 0.00 1.57 1.02 -1.26 -4.54 119.74 116.29 2jnk s LYS 31 Ca 0.00 0.26 0.00 0.00 0.02 0.00 0.00 55.97 56.25 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 -0.18 0.00 0.41 -0.92 0.00 0.00 175.35 174.66 2jnk n GLY 32 N 1.06 0.09 0.07 -3.33 0.00 -1.26 -4.97 105.19 96.85 2jnk n GLY 32 Ca -0.12 0.00 -0.01 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 -0.10 -1.48 4.61 0.00 -1.94 -3.33 119.26 117.01 2jnk h ALA 33 Ca 0.00 -0.02 0.43 0.00 0.00 0.00 0.00 54.91 55.32 2jnk h ALA 33 Cb 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 2jnk h ALA 33 CO 0.00 -0.09 1.15 1.17 0.00 0.00 0.00 179.25 181.48 2jnk n LYS 34 N -4.39 0.00 0.00 0.00 4.81 -1.26 -2.27 118.16 115.05 2jnk n LYS 34 Ca -0.01 0.88 0.00 0.00 -0.87 0.00 0.00 58.31 58.31 2jnk n LYS 34 Cb 0.03 -2.07 0.00 0.00 0.02 0.00 0.00 35.03 33.01 2jnk n LYS 34 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2jnk n ASP 35 N -3.45 0.00 0.00 3.14 5.75 -1.26 -3.59 116.55 117.15 2jnk n ASP 35 Ca 0.33 0.43 0.00 0.00 -0.01 0.00 0.00 54.79 55.55 2jnk n ASP 35 Cb 1.59 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 41.18 2jnk n ASP 35 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jnk n GLY 36 N 1.93 -1.11 0.46 6.12 0.00 -0.96 0.27 105.19 111.90 2jnk n GLY 36 Ca 0.00 0.22 0.28 0.00 0.00 0.00 0.00 46.02 46.52 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 0.23 0.07 0.99 5.85 -1.79 0.41 115.31 121.06 2jnk h LEU 37 Ca 0.00 0.04 -0.27 0.00 0.84 0.00 0.00 57.88 58.49 2jnk h LEU 37 Cb 0.00 0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.05 2jnk h LEU 37 CO 0.00 0.04 -1.20 0.00 -0.34 0.00 0.00 178.44 176.95 2jnk h THR 38 N 0.20 1.43 -0.86 1.05 1.03 0.36 -0.56 112.91 115.56 2jnk h THR 38 Ca 0.56 -2.82 0.03 0.00 -0.01 0.00 0.00 66.41 64.17 2jnk h THR 38 Cb 1.80 2.81 -0.05 0.00 -1.07 0.00 0.00 68.15 71.64 2jnk h THR 38 CO -0.15 0.83 0.57 0.58 -0.01 0.00 0.00 175.52 177.34 2jnk h VAL 39 N 0.14 1.17 0.00 0.00 2.07 0.50 1.86 116.25 121.98 2jnk h VAL 39 Ca -0.14 -0.38 -0.19 0.00 0.82 0.00 0.00 66.70 66.81 2jnk h VAL 39 Cb 1.89 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 2jnk h VAL 39 CO 0.21 0.20 -0.89 1.05 0.02 0.00 0.00 177.57 178.15 2jnk h GLU 40 N 1.10 0.00 0.55 1.57 4.11 -0.94 -1.60 114.58 119.37 2jnk h GLU 40 Ca 0.34 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.74 2jnk h GLU 40 Cb -0.02 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.23 2jnk h GLU 40 CO -0.09 0.89 -0.27 0.82 0.07 0.00 0.00 179.01 180.43 2jnk h ILE 41 N 0.00 0.00 -0.99 -1.06 2.04 0.84 2.90 117.51 121.24 2jnk h ILE 41 Ca -0.01 -0.38 0.24 0.00 1.00 0.00 0.00 64.86 65.71 2jnk h ILE 41 Cb 1.59 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.55 2jnk h ILE 41 CO 0.12 0.00 0.58 0.78 0.00 0.00 0.00 178.15 179.62 2jnk h ASN 42 N -1.12 0.66 1.46 1.72 2.35 0.27 1.35 115.58 122.26 2jnk h ASN 42 Ca -0.08 0.13 -0.11 0.00 -0.55 0.00 0.00 56.30 55.70 2jnk h ASN 42 Cb 0.57 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.96 2jnk h ASN 42 CO 0.12 0.12 -0.51 0.50 -1.65 0.00 0.00 177.43 176.01 2jnk h LYS 43 N 0.59 0.00 0.00 0.81 3.11 -1.15 -3.14 116.57 116.78 2jnk h LYS 43 Ca 0.63 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.47 2jnk h LYS 43 Cb 1.17 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.40 2jnk h LYS 43 CO -0.47 0.51 -0.22 0.00 -2.81 0.00 0.00 179.45 176.45 2jnk h ALA 44 N 1.49 0.00 -1.11 5.00 0.00 1.21 -3.34 119.26 122.52 2jnk h ALA 44 Ca -0.01 -0.25 0.31 0.00 0.00 0.00 0.00 54.91 54.97 2jnk h ALA 44 Cb 1.37 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 19.32 2jnk h ALA 44 CO 0.07 0.22 0.77 0.93 0.00 0.00 0.00 179.25 181.23 2jnk h GLU 45 N -0.82 0.14 0.00 0.00 4.39 0.12 2.05 114.58 120.45 2jnk h GLU 45 Ca 0.00 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2jnk h GLU 45 Cb 0.22 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2jnk h GLU 45 CO 0.00 0.10 -0.04 0.93 -1.16 0.00 0.00 179.01 178.84 2jnk h GLU 46 N 0.15 0.00 0.04 2.33 5.08 -1.67 -1.78 114.58 118.72 2jnk h GLU 46 Ca 0.57 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.55 2jnk h GLU 46 Cb 1.94 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.14 2jnk h GLU 46 CO -0.12 0.04 -2.24 0.28 -1.00 0.00 0.00 179.01 175.96 2jnk n VAL 47 N -3.84 1.58 -0.17 3.13 0.31 0.66 -3.55 118.33 116.45 2jnk n VAL 47 Ca -0.03 -0.51 -0.05 0.00 -0.01 0.00 0.00 64.34 63.74 2jnk n VAL 47 Cb 0.13 -1.65 0.01 0.00 -0.91 0.00 0.00 33.84 31.42 2jnk n VAL 47 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 2jnk h PHE 48 N -0.25 -0.77 -0.40 3.52 3.57 -0.02 0.33 116.94 122.93 2jnk h PHE 48 Ca -0.54 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.03 2jnk h PHE 48 Cb 1.83 0.41 0.00 0.00 2.79 0.00 0.00 35.95 40.99 2jnk h PHE 48 CO 0.03 -0.35 0.00 0.09 -2.23 0.00 0.00 178.31 175.85 2jnk n ASN 49 N -5.42 2.43 -4.91 0.41 3.02 -0.70 -4.78 115.26 105.31 2jnk n ASN 49 Ca 0.04 -2.08 -0.27 0.00 -0.03 0.00 0.00 54.58 52.23 2jnk n ASN 49 Cb 0.34 -0.33 0.03 0.00 -0.61 0.00 0.00 39.78 39.21 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 -1.53 3.04 -0.05 3.52 2.20 0.12 -5.01 119.74 122.03 2jnk s LYS 50 Ca 0.28 0.11 0.14 0.00 -0.36 0.00 0.00 55.97 56.14 2jnk s LYS 50 Cb 0.16 -2.25 -0.22 0.00 -1.51 0.00 0.00 37.83 34.01 2jnk s LYS 50 CO 0.17 -0.65 0.62 0.39 -0.36 0.00 0.00 175.35 175.51 2jnk n GLU 51 N -2.59 0.64 -0.26 4.03 4.71 -1.26 -3.75 120.64 122.17 2jnk n GLU 51 Ca 0.04 0.25 0.04 0.00 -0.01 0.00 0.00 57.16 57.48 2jnk n GLU 51 Cb 0.57 -1.76 0.14 0.00 -1.01 0.00 0.00 31.44 29.38 2jnk n GLU 51 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2jnk n ASP 52 N -2.98 2.24 -2.01 1.62 9.92 -1.26 -4.33 116.55 119.75 2jnk n ASP 52 Ca -0.18 -2.19 -0.08 0.00 -0.53 0.00 0.00 54.79 51.81 2jnk n ASP 52 Cb 1.03 -0.40 -0.12 0.00 -0.64 0.00 0.00 41.12 41.00 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 0.29 5.11 -1.66 2.24 0.00 -1.25 -2.88 120.51 122.37 2jnk n ALA 53 Ca 0.10 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.29 2jnk n ALA 53 Cb 0.45 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.77 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 2.43 0.00 0.74 0.00 -2.24 -1.26 -3.35 114.28 110.59 2jnk n THR 54 Ca 0.30 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.20 2jnk n THR 54 Cb 0.70 0.00 0.22 0.00 -2.10 0.00 0.00 70.33 69.15 2jnk n THR 54 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2jnk n GLU 55 N 0.00 0.18 -0.08 -0.78 2.13 -1.26 -3.78 120.64 117.04 2jnk n GLU 55 Ca 0.00 0.05 -0.07 0.00 0.66 0.00 0.00 57.16 57.80 2jnk n GLU 55 Cb 0.00 -1.61 -0.02 0.00 0.27 0.00 0.00 31.44 30.07 2jnk n GLU 55 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2jnk n GLU 56 N -1.87 0.50 -0.06 5.31 1.02 -1.26 -4.47 120.64 119.81 2jnk n GLU 56 Ca 0.04 0.32 -0.12 0.00 -0.02 0.00 0.00 57.16 57.38 2jnk n GLU 56 Cb 0.40 -1.51 -0.06 0.00 -0.02 0.00 0.00 31.44 30.25 2jnk n GLU 56 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2jnk h GLU 57 N -0.99 0.32 -0.00 3.49 4.57 -1.75 -3.08 114.58 117.13 2jnk h GLU 57 Ca 0.00 -0.10 0.02 0.00 -1.18 0.00 0.00 59.36 58.09 2jnk h GLU 57 Cb 0.82 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.34 2jnk h GLU 57 CO 0.00 0.54 -0.42 0.82 -1.18 0.00 0.00 179.01 178.77 2jnk h ILE 58 N 0.06 0.00 -0.82 2.32 2.04 -1.74 0.64 117.51 120.01 2jnk h ILE 58 Ca 0.05 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.11 2jnk h ILE 58 Cb 0.40 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.33 2jnk h ILE 58 CO 0.01 0.00 0.04 -0.55 0.00 0.00 0.00 178.15 177.65 2jnk h ASN 59 N -0.53 -0.33 0.05 1.72 -1.07 -1.78 1.78 115.58 115.42 2jnk h ASN 59 Ca 0.01 0.21 -0.07 0.00 0.07 0.00 0.00 56.30 56.52 2jnk h ASN 59 Cb 0.57 0.36 -0.01 0.00 -2.07 0.00 0.00 38.32 37.17 2jnk h ASN 59 CO -0.28 -0.21 -0.21 -0.07 0.07 0.00 0.00 177.43 176.72 2jnk h LEU 60 N 0.10 0.29 0.00 6.14 3.38 -1.19 -2.47 115.31 121.56 2jnk h LEU 60 Ca 0.47 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.36 2jnk h LEU 60 Cb 0.87 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2jnk h LEU 60 CO -0.72 0.52 -0.62 0.00 0.09 0.00 0.00 178.44 177.71 2jnk h ALA 61 N 1.51 0.67 0.25 1.53 0.00 0.68 -3.36 119.26 120.54 2jnk h ALA 61 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.62 2jnk h ALA 61 Cb 0.54 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.36 2jnk h ALA 61 CO 0.04 0.00 -1.52 1.57 0.00 0.00 0.00 179.25 179.34 2jnk h LYS 62 N 0.00 0.53 0.00 0.00 5.09 0.25 -3.08 116.57 119.36 2jnk h LYS 62 Ca 0.00 -0.90 -0.00 0.00 0.09 0.00 0.00 60.65 59.84 2jnk h LYS 62 Cb 0.94 0.33 -0.00 0.00 0.10 0.00 0.00 32.23 33.61 2jnk h LYS 62 CO 0.00 1.43 -0.01 1.49 -2.09 0.00 0.00 179.45 180.27 2jnk h GLU 63 N 0.14 0.00 0.00 0.07 4.81 -1.60 0.85 114.58 118.85 2jnk h GLU 63 Ca -0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2jnk h GLU 63 Cb 2.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.55 2jnk h GLU 63 CO 0.27 0.01 -0.85 0.45 -0.73 0.00 0.00 179.01 178.16 2jnk n SER 64 N -3.37 0.78 -0.13 1.04 2.88 -1.24 -4.11 113.62 109.47 2jnk n SER 64 Ca -0.03 -0.66 -0.27 0.00 -1.33 0.00 0.00 58.87 56.58 2jnk n SER 64 Cb 0.10 0.75 -0.09 0.00 -0.75 0.00 0.00 64.21 64.21 2jnk n SER 64 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2jnk n LEU 65 N -1.55 1.95 0.32 2.46 7.94 0.08 -3.92 117.00 124.28 2jnk n LEU 65 Ca 0.04 0.35 -0.14 0.00 -1.11 0.00 0.00 56.01 55.15 2jnk n LEU 65 Cb 0.34 -0.82 -0.07 0.00 0.53 0.00 0.00 43.42 43.40 2jnk n LEU 65 CO 0.40 0.46 0.52 -0.33 -1.11 0.00 0.00 177.39 177.34 2jnk h GLU 66 N -1.00 -0.84 0.00 1.96 5.08 -1.20 0.02 114.58 118.60 2jnk h GLU 66 Ca -0.60 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 2jnk h GLU 66 Cb 1.52 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.96 2jnk h GLU 66 CO -0.37 -0.56 0.00 0.41 -1.00 0.00 0.00 179.01 177.49 2jnk n GLY 67 N -1.45 -0.54 0.10 -3.84 0.00 -1.26 -2.22 105.19 95.99 2jnk n GLY 67 Ca -0.11 -0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.07 0.75 -0.33 4.61 0.00 -0.85 -3.94 120.51 119.69 2jnk n ALA 68 Ca 0.10 -0.58 -0.04 0.00 0.00 0.00 0.00 53.44 52.93 2jnk n ALA 68 Cb 0.07 -0.26 0.09 0.00 0.00 0.00 0.00 19.45 19.34 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 -1.00 1.25 -0.52 0.00 3.07 -0.94 -0.38 117.51 118.98 2jnk h ILE 69 Ca -0.28 -0.57 0.15 0.00 1.55 0.00 0.00 64.86 65.72 2jnk h ILE 69 Cb 1.10 -0.00 -0.02 0.00 -0.27 0.00 0.00 36.82 37.63 2jnk h ILE 69 CO -0.17 0.27 0.54 0.00 -1.05 0.00 0.00 178.15 177.74 2jnk h ALA 70 N 1.29 2.28 0.00 0.16 0.00 -1.63 0.11 119.26 121.47 2jnk h ALA 70 Ca 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2jnk h ALA 70 Cb -0.03 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2jnk h ALA 70 CO -0.06 -0.81 -0.09 0.00 0.00 0.00 0.00 179.25 178.29 2jnk h ARG 71 N 0.00 0.00 -0.87 0.00 2.47 -1.19 -3.34 114.38 111.45 2jnk h ARG 71 Ca 0.25 0.00 0.25 0.00 -1.26 0.00 0.00 59.98 59.22 2jnk h ARG 71 Cb 1.33 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.61 2jnk h ARG 71 CO -0.00 0.00 0.77 0.35 0.56 0.00 0.00 179.97 181.65 2jnk h PHE 72 N -0.58 0.00 -0.13 3.04 3.57 -1.11 0.80 116.94 122.54 2jnk h PHE 72 Ca 0.00 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 2jnk h PHE 72 Cb 0.09 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 2jnk h PHE 72 CO -0.04 0.00 -0.20 -0.91 -2.23 0.00 0.00 178.31 174.94 2jnk h ASN 73 N 0.00 0.21 -0.90 0.41 2.35 -0.92 -2.37 115.58 114.35 2jnk h ASN 73 Ca 0.41 -0.05 -0.51 0.00 -0.55 0.00 0.00 56.30 55.61 2jnk h ASN 73 Cb 1.95 -0.06 -0.28 0.00 0.05 0.00 0.00 38.32 39.98 2jnk h ASN 73 CO -0.00 0.42 0.55 -1.54 -1.65 0.00 0.00 177.43 175.21 2jnk n SER 74 N -4.22 4.47 -0.11 5.81 3.41 0.28 -4.37 113.62 118.88 2jnk n SER 74 Ca -0.01 -3.68 -0.16 0.00 -0.26 0.00 0.00 58.87 54.76 2jnk n SER 74 Cb 0.31 -0.83 -0.11 0.00 -0.26 0.00 0.00 64.21 63.33 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 -1.08 2.85 -2.18 1.04 7.99 -0.89 -3.97 117.00 120.75 2jnk n LEU 75 Ca 0.56 -0.12 -0.07 0.00 -0.01 0.00 0.00 56.01 56.37 2jnk n LEU 75 Cb 1.34 -0.75 -0.10 0.00 -0.11 0.00 0.00 43.42 43.79 2jnk n LEU 75 CO 0.58 0.87 1.19 0.00 -1.51 0.00 0.00 177.39 178.52 2jnk n LEU 76 N -3.15 3.27 -3.52 2.23 -0.00 -1.26 -4.01 117.00 110.56 2jnk n LEU 76 Ca -0.40 -2.16 -0.20 0.00 -0.00 0.00 0.00 56.01 53.24 2jnk n LEU 76 Cb 0.94 -0.88 0.02 0.00 -0.00 0.00 0.00 43.42 43.50 2jnk n LEU 76 CO 0.24 0.87 0.00 -0.38 -0.00 0.00 0.00 177.39 178.12 2jnk n ILE 77 N 2.67 -6.55 0.00 1.47 2.08 -1.03 -1.87 119.36 116.13 2jnk n ILE 77 Ca 0.26 -0.53 0.00 0.00 0.56 0.00 0.00 62.75 63.04 2jnk n ILE 77 Cb 0.57 -4.79 0.00 0.00 -0.75 0.00 0.00 39.64 34.67 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 -3.08 0.00 0.03 0.38 -0.58 -1.15 -4.36 120.64 111.87 2jnk n GLU 78 Ca -0.12 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.75 2jnk n GLU 78 Cb 0.59 0.00 0.20 0.00 -0.57 0.00 0.00 31.44 31.66 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 -1.28 3.49 1.02 -1.26 0.11 120.64 122.74 2jnk n GLU 79 Ca 0.00 0.85 0.04 0.00 -0.02 0.00 0.00 57.16 58.03 2jnk n GLU 79 Cb 0.00 -2.19 0.08 0.00 -0.02 0.00 0.00 31.44 29.31 2jnk n GLU 79 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2jnk n SER 80 N -2.62 1.30 -0.11 1.62 7.64 -1.26 -4.80 113.62 115.39 2jnk n SER 80 Ca 0.11 -2.62 0.13 0.00 1.01 0.00 0.00 58.87 57.50 2jnk n SER 80 Cb 1.11 -0.38 0.35 0.00 -1.01 0.00 0.00 64.21 64.28 2jnk n SER 80 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2jnk n THR 81 N -0.06 0.00 -0.31 0.44 5.66 0.31 -4.10 114.28 116.22 2jnk n THR 81 Ca 0.11 -0.06 0.22 0.00 -3.05 0.00 0.00 64.05 61.27 2jnk n THR 81 Cb 0.99 0.25 0.51 0.00 -1.55 0.00 0.00 70.33 70.53 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 4.97 1.12 -7.28 1.09 0.00 -1.87 -3.25 103.07 97.84 2jnk h GLY 82 Ca 0.00 -0.20 -0.48 0.00 0.00 0.00 0.00 47.33 46.65 2jnk h GLY 82 CO 0.00 -0.10 1.64 1.22 0.00 0.00 0.00 176.54 179.30 2jnk n ASP 83 N -4.59 3.39 0.11 0.19 9.92 -1.26 -4.57 116.55 119.75 2jnk n ASP 83 Ca 0.24 -2.75 -0.13 0.00 -0.53 0.00 0.00 54.79 51.62 2jnk n ASP 83 Cb 0.85 -1.62 -0.08 0.00 -0.64 0.00 0.00 41.12 39.63 2jnk n ASP 83 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 2jnk h PHE 84 N 8.73 -0.23 0.00 1.24 0.04 -1.74 -2.08 116.94 122.91 2jnk h PHE 84 Ca 0.32 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.09 2jnk h PHE 84 Cb 0.86 0.08 0.00 0.00 2.20 0.00 0.00 35.95 39.08 2jnk h PHE 84 CO 1.27 -0.03 0.00 -0.91 -0.60 0.00 0.00 178.31 178.04 2jnk h ASN 85 N -0.39 0.00 0.00 2.17 4.21 -1.85 -3.45 115.58 116.27 2jnk h ASN 85 Ca -0.03 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.48 2jnk h ASN 85 Cb 0.30 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.50 2jnk h ASN 85 CO 0.04 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.79 2jnk n GLY 86 N -1.25 0.70 0.02 2.83 0.00 -0.78 -4.80 105.19 101.92 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 -0.05 2.92 0.00 1.61 6.94 -1.26 -5.05 115.26 120.37 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 0.03 1.07 0.00 0.00 -2.36 0.00 0.00 39.78 38.51 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 2.23 0.68 3.38 4.83 0.00 -1.26 -5.14 105.19 109.91 2jnk n GLY 88 Ca -0.08 -0.67 -0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.17 0.54 -0.51 1.61 1.02 -1.26 -5.09 119.74 115.88 2jnk s LYS 89 Ca 0.00 1.19 0.03 0.00 0.02 0.00 0.00 55.97 57.22 2jnk s LYS 89 Cb 0.00 0.62 0.13 0.00 -0.52 0.00 0.00 37.83 38.07 2jnk s LYS 89 CO 0.00 -0.39 0.27 0.42 -0.92 0.00 0.00 175.35 174.73 2jnk s ILE 90 N 2.84 2.21 0.00 2.17 -1.09 -1.26 -4.26 121.20 121.81 2jnk s ILE 90 Ca 0.06 -3.14 0.00 0.00 -2.23 0.00 0.00 60.65 55.34 2jnk s ILE 90 Cb -0.13 -2.53 0.00 0.00 -1.58 0.00 0.00 42.46 38.22 2jnk s ILE 90 CO -0.19 -0.85 0.00 0.47 -1.23 0.00 0.00 174.94 173.14 2jnk n ASP 91 N 3.16 0.00 -0.06 3.58 9.92 -1.26 -4.56 116.55 127.33 2jnk n ASP 91 Ca 0.07 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.28 2jnk n ASP 91 Cb 0.33 0.04 -0.10 0.00 -0.64 0.00 0.00 41.12 40.75 2jnk n ASP 91 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jnk n ILE 92 N -1.39 0.81 0.08 0.53 0.13 -1.26 -4.43 119.36 113.83 2jnk n ILE 92 Ca 0.00 -0.52 0.05 0.00 -1.10 0.00 0.00 62.75 61.18 2jnk n ILE 92 Cb 0.00 -0.60 0.28 0.00 -0.84 0.00 0.00 39.64 38.48 2jnk n ILE 92 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2jnk n GLY 93 N 2.18 -0.65 0.10 4.50 0.00 -1.26 -1.70 105.19 108.36 2jnk n GLY 93 Ca -0.19 0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 2jnk n GLY 93 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2jnk h ASP 94 N 0.00 0.32 -0.91 1.61 3.04 -1.90 0.20 116.42 118.79 2jnk h ASP 94 Ca 0.00 -0.95 -0.45 0.00 -3.24 0.00 0.00 57.03 52.40 2jnk h ASP 94 Cb 0.09 -0.10 -0.27 0.00 -1.04 0.00 0.00 39.33 38.01 2jnk h ASP 94 CO 0.00 1.31 0.57 0.18 -2.04 0.00 0.00 179.24 179.25 2jnk n LEU 95 N -4.25 6.44 0.00 0.15 4.77 -0.69 -2.28 117.00 121.14 2jnk n LEU 95 Ca -0.14 -3.43 0.00 0.00 -0.03 0.00 0.00 56.01 52.41 2jnk n LEU 95 Cb 0.73 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2jnk n LEU 95 CO 0.43 0.98 0.00 0.00 -1.33 0.00 0.00 177.39 177.47 2jnk n ALA 96 N -0.91 0.01 -0.27 -1.18 0.00 -0.85 -4.92 120.51 112.39 2jnk n ALA 96 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2jnk n ALA 96 Cb 1.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 21.02 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 -1.51 0.00 0.05 0.00 1.56 0.22 -4.11 117.12 113.32 2jnk n MET 97 Ca 0.00 0.26 -0.12 0.00 -0.27 0.00 0.00 57.70 57.56 2jnk n MET 97 Cb 0.00 -0.71 -0.09 0.00 2.15 0.00 0.00 33.22 34.57 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 1.02 0.00 1.12 3.04 -0.92 -3.12 116.25 117.40 2jnk h VAL 98 Ca 0.00 -1.08 0.00 0.00 -1.01 0.00 0.00 66.70 64.61 2jnk h VAL 98 Cb 0.00 1.65 0.00 0.00 -2.01 0.00 0.00 31.29 30.93 2jnk h VAL 98 CO 0.00 0.24 0.05 -1.54 -1.01 0.00 0.00 177.57 175.31 2jnk n SER 99 N -4.93 0.00 0.43 3.17 3.41 -0.97 -2.98 113.62 111.75 2jnk n SER 99 Ca -0.08 0.35 -0.17 0.00 -0.26 0.00 0.00 58.87 58.70 2jnk n SER 99 Cb 0.27 -0.35 -0.08 0.00 -0.26 0.00 0.00 64.21 63.79 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 -1.08 0.02 4.33 3.11 -1.69 -3.33 116.57 117.92 2jnk h LYS 100 Ca 0.00 0.07 -0.04 0.00 -2.81 0.00 0.00 60.65 57.88 2jnk h LYS 100 Cb 0.10 0.25 0.00 0.00 -1.00 0.00 0.00 32.23 31.58 2jnk h LYS 100 CO 0.00 -0.72 -0.15 -2.95 -2.81 0.00 0.00 179.45 172.82 2jnk h ASN 101 N -1.12 0.10 -5.82 4.20 7.08 -1.75 -3.50 115.58 114.78 2jnk h ASN 101 Ca -0.11 -0.89 0.00 0.00 -3.08 0.00 0.00 56.30 52.22 2jnk h ASN 101 Cb 0.87 -0.03 -0.04 0.00 -2.08 0.00 0.00 38.32 37.04 2jnk h ASN 101 CO 0.16 0.98 -0.51 -0.38 -2.08 0.00 0.00 177.43 175.61 2jnk n ILE 102 N -4.56 -4.63 -0.36 6.14 2.08 -1.21 -4.44 119.36 112.38 2jnk n ILE 102 Ca -0.10 0.85 0.00 0.00 0.56 0.00 0.00 62.75 64.06 2jnk n ILE 102 Cb 0.50 -3.74 0.00 0.00 -0.75 0.00 0.00 39.64 35.65 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 2.26 0.98 3.28 7.39 0.00 0.45 -4.69 105.19 114.87 2jnk n GLY 103 Ca -0.13 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.29 5.20 0.19 1.61 0.15 -1.26 -4.68 113.70 112.62 2jnk s SER 104 Ca 0.00 -1.02 -0.12 0.00 0.70 0.00 0.00 55.95 55.51 2jnk s SER 104 Cb 0.00 -1.86 0.11 0.00 -1.71 0.00 0.00 66.02 62.56 2jnk s SER 104 CO 0.00 -0.28 1.83 0.71 1.20 0.00 0.00 173.24 176.70 2jnk h THR 105 N 6.11 1.18 0.00 6.45 1.35 -1.83 -1.40 112.91 124.78 2jnk h THR 105 Ca -0.26 -0.40 -0.00 0.00 -0.55 0.00 0.00 66.41 65.20 2jnk h THR 105 Cb 1.09 0.28 -0.00 0.00 -1.73 0.00 0.00 68.15 67.79 2jnk h THR 105 CO 0.60 0.19 -0.02 0.71 -0.25 0.00 0.00 175.52 176.74 2jnk h THR 106 N 0.88 0.77 -0.92 6.82 1.35 -1.94 -1.35 112.91 118.52 2jnk h THR 106 Ca 0.23 -0.09 -0.57 0.00 -0.55 0.00 0.00 66.41 65.44 2jnk h THR 106 Cb -0.04 1.05 -0.27 0.00 -1.73 0.00 0.00 68.15 67.16 2jnk h THR 106 CO -0.05 0.02 0.73 -3.20 -0.25 0.00 0.00 175.52 172.78 2jnk n ASN 107 N -4.15 6.07 -0.02 5.36 4.05 -0.53 -4.46 115.26 121.57 2jnk n ASN 107 Ca -0.03 -3.60 0.16 0.00 0.45 0.00 0.00 54.58 51.56 2jnk n ASN 107 Cb 0.11 -0.92 0.87 0.00 1.23 0.00 0.00 39.78 41.06 2jnk n ASN 107 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 177.26 175.28 2jnk n THR 108 N -0.83 0.00 -0.29 -0.44 5.66 -0.51 -3.92 114.28 113.95 2jnk n THR 108 Ca 0.57 -0.01 0.34 0.00 -3.05 0.00 0.00 64.05 61.89 2jnk n THR 108 Cb 1.00 -0.44 0.73 0.00 -1.55 0.00 0.00 70.33 70.07 2jnk n THR 108 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 2jnk h SER 109 N 0.12 0.00 0.00 1.09 0.87 -1.84 -3.09 113.55 110.69 2jnk h SER 109 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jnk h SER 109 Cb 0.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2jnk h SER 109 CO 0.00 0.00 0.00 0.18 -0.53 0.00 0.00 176.83 176.48 2jnk n LEU 110 N -4.06 0.40 -0.61 2.23 4.77 -1.25 -4.99 117.00 113.49 2jnk n LEU 110 Ca 0.24 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 2jnk n LEU 110 Cb 1.23 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 2jnk n LEU 110 CO 0.38 -0.32 0.00 -0.67 -1.33 0.00 0.00 177.39 175.46 2jnk n ASP 111 N -1.89 0.00 -0.07 -1.43 -0.08 -1.17 -4.65 116.55 107.26 2jnk n ASP 111 Ca 0.00 0.00 0.26 0.00 -1.51 0.00 0.00 54.79 53.54 2jnk n ASP 111 Cb 0.00 0.00 0.69 0.00 2.34 0.00 0.00 41.12 44.15 2jnk n ASP 111 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2jnk h LEU 112 N 0.33 0.00 0.09 -2.67 3.38 -1.88 0.31 115.31 114.88 2jnk h LEU 112 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 2jnk h LEU 112 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2jnk h LEU 112 CO 0.00 0.00 -1.98 -3.20 0.09 0.00 0.00 178.44 173.35 2jnk n ASN 113 N -3.76 2.07 -0.24 -0.43 2.85 -1.26 -2.48 115.26 112.02 2jnk n ASN 113 Ca 0.15 0.20 -0.02 0.00 -0.11 0.00 0.00 54.58 54.80 2jnk n ASN 113 Cb 0.95 -0.82 0.00 0.00 1.24 0.00 0.00 39.78 41.15 2jnk n ASN 113 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2jnk n LYS 114 N -3.60 -0.17 0.03 1.20 4.76 0.11 -3.65 118.16 116.83 2jnk n LYS 114 Ca -0.34 0.07 0.12 0.00 -2.87 0.00 0.00 58.31 55.28 2jnk n LYS 114 Cb 0.99 -3.54 0.48 0.00 -1.84 0.00 0.00 35.03 31.12 2jnk n LYS 114 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2jnk n ASP 115 N 1.65 0.18 -0.05 4.39 2.03 -1.26 -4.87 116.55 118.61 2jnk n ASP 115 Ca -0.02 0.53 0.00 0.00 0.52 0.00 0.00 54.79 55.82 2jnk n ASP 115 Cb 0.51 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 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 0.87 0.95 3.29 0.27 0.00 -1.26 -5.04 105.19 104.27 2jnk n GLY 116 Ca 0.05 -0.55 0.03 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.64 -0.53 -0.36 1.61 0.01 -1.26 -2.16 113.70 108.36 2jnk s SER 117 Ca 0.00 0.57 -0.28 0.00 1.31 0.00 0.00 55.95 57.55 2jnk s SER 117 Cb 0.00 1.54 -0.03 0.00 0.21 0.00 0.00 66.02 67.75 2jnk s SER 117 CO 0.00 -0.10 1.92 -0.63 0.41 0.00 0.00 173.24 174.84 2jnk s ILE 118 N 2.58 3.35 0.00 1.44 -1.09 -1.26 -4.36 121.20 121.86 2jnk s ILE 118 Ca -0.01 0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.75 2jnk s ILE 118 Cb -0.07 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 2jnk s ILE 118 CO -0.16 -0.38 0.00 -0.67 -1.23 0.00 0.00 174.94 172.51 2jnk n ASP 119 N 11.21 0.00 0.12 3.58 -0.08 -1.26 0.17 116.55 130.29 2jnk n ASP 119 Ca 0.25 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.52 2jnk n ASP 119 Cb 0.48 0.00 0.27 0.00 2.34 0.00 0.00 41.12 44.21 2jnk n ASP 119 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2jnk h GLU 120 N 0.00 0.16 -0.08 -0.67 4.81 -2.00 -2.67 114.58 114.13 2jnk h GLU 120 Ca 0.00 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.18 2jnk h GLU 120 Cb 0.00 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 2jnk h GLU 120 CO 0.00 0.53 0.17 1.88 -0.73 0.00 0.00 179.01 180.86 2jnk h TYR 121 N 0.14 0.00 0.00 0.92 0.05 -1.95 0.18 116.97 116.30 2jnk h TYR 121 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2jnk h TYR 121 Cb 0.76 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.50 2jnk h TYR 121 CO 0.01 0.00 -0.81 0.93 -1.05 0.00 0.00 178.16 177.24 2jnk h GLU 122 N 0.00 0.00 0.02 4.88 4.39 -1.83 -3.37 114.58 118.67 2jnk h GLU 122 Ca 0.04 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.38 2jnk h GLU 122 Cb 0.38 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.97 2jnk h GLU 122 CO -0.00 0.00 -2.19 -0.89 -1.16 0.00 0.00 179.01 174.77 2jnk n ILE 123 N -2.39 1.52 -0.64 3.13 2.08 0.36 -4.39 119.36 119.03 2jnk n ILE 123 Ca 0.02 -0.75 0.50 0.00 0.56 0.00 0.00 62.75 63.07 2jnk n ILE 123 Cb 0.49 -0.98 0.80 0.00 -0.75 0.00 0.00 39.64 39.20 2jnk n ILE 123 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 2jnk h SER 124 N 0.01 0.02 0.00 4.38 4.64 -0.95 0.73 113.55 122.38 2jnk h SER 124 Ca -0.48 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2jnk h SER 124 Cb 2.09 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 64.19 2jnk h SER 124 CO 0.02 -0.02 0.00 0.33 -0.87 0.00 0.00 176.83 176.29 2jnk n PHE 125 N -4.04 0.00 -0.31 4.77 7.35 -1.25 -4.19 117.46 119.78 2jnk n PHE 125 Ca 0.42 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 57.27 2jnk n PHE 125 Cb 1.88 -0.24 0.35 0.00 0.35 0.00 0.00 39.48 41.83 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 0.39 -1.23 -2.13 1.08 -1.72 0.30 117.51 114.20 2jnk h ILE 126 Ca 0.00 -0.12 0.37 0.00 -0.39 0.00 0.00 64.86 64.72 2jnk h ILE 126 Cb 0.00 0.02 -0.10 0.00 -3.07 0.00 0.00 36.82 33.67 2jnk h ILE 126 CO 0.00 0.06 0.81 0.78 -0.69 0.00 0.00 178.15 179.12 2jnk h ASN 127 N 0.34 0.27 0.02 1.72 4.21 -1.07 0.92 115.58 121.98 2jnk h ASN 127 Ca 0.60 0.09 -0.32 0.00 1.21 0.00 0.00 56.30 57.89 2jnk h ASN 127 Cb 1.23 0.06 -0.04 0.00 -1.12 0.00 0.00 38.32 38.45 2jnk h ASN 127 CO -0.58 -0.05 -1.77 1.41 -1.29 0.00 0.00 177.43 175.15 2jnk n HIS 128 N -4.57 0.73 -0.15 1.19 8.25 0.94 -4.13 115.22 117.48 2jnk n HIS 128 Ca 0.32 0.28 0.12 0.00 -0.26 0.00 0.00 57.72 58.17 2jnk n HIS 128 Cb 1.23 -1.08 0.45 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 -0.81 0.51 0.00 -0.41 9.65 -0.19 0.24 114.38 123.36 2jnk h ARG 129 Ca -0.47 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 2jnk h ARG 129 Cb 1.51 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.98 2jnk h ARG 129 CO -0.23 0.34 0.00 -0.89 2.80 0.00 0.00 179.97 181.99 2jnk n ILE 130 N -4.49 0.00 0.17 1.20 5.41 0.31 -2.91 119.36 119.06 2jnk n ILE 130 Ca 0.12 1.44 0.06 0.00 1.00 0.00 0.00 62.75 65.38 2jnk n ILE 130 Cb 0.39 -2.37 0.56 0.00 -0.71 0.00 0.00 39.64 37.51 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 0.15 -5.21 1.39 3.38 -1.69 -3.21 115.31 110.13 2jnk h LEU 131 Ca 0.00 -0.01 -0.65 0.00 0.09 0.00 0.00 57.88 57.31 2jnk h LEU 131 Cb 0.00 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 40.73 2jnk h LEU 131 CO 0.00 0.12 3.63 0.59 0.09 0.00 0.00 178.44 182.87 2jnk n ASN 132 N -4.50 7.63 0.00 -0.43 3.02 0.82 -3.28 115.26 118.52 2jnk n ASN 132 Ca -0.01 -2.59 0.00 0.00 -0.03 0.00 0.00 54.58 51.95 2jnk n ASN 132 Cb 0.09 -1.53 0.00 0.00 -0.61 0.00 0.00 39.78 37.73 2jnk n ASN 132 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2jnk n LEU 133 N 4.07 0.00 0.00 3.41 0.00 -1.21 -4.80 117.00 118.47 2jnk n LEU 133 Ca 0.72 0.00 -0.10 0.00 0.00 0.00 0.00 56.01 56.63 2jnk n LEU 133 Cb 0.25 0.01 0.04 0.00 0.00 0.00 0.00 43.42 43.72 2jnk n LEU 133 CO 0.86 -0.01 0.21 -1.84 0.00 0.00 0.00 177.39 176.60 2jnk n GLU 134 N -0.90 0.56 -3.89 1.96 0.28 -1.20 -5.14 120.64 112.30 2jnk n GLU 134 Ca 0.00 -1.33 -0.18 0.00 -0.16 0.00 0.00 57.16 55.49 2jnk n GLU 134 Cb 0.00 -0.20 -0.06 0.00 1.43 0.00 0.00 31.44 32.60 2jnk n GLU 134 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2jnk n HIS 135 N -1.81 -0.36 -1.44 -1.84 8.25 -1.26 -4.97 115.22 111.79 2jnk n HIS 135 Ca 0.07 -2.25 0.00 0.00 -0.26 0.00 0.00 57.72 55.29 2jnk n HIS 135 Cb 0.27 0.15 -0.00 0.00 1.12 0.00 0.00 29.99 31.52 2jnk n HIS 135 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jnk n HIS 136 N -0.61 -3.93 -4.39 4.41 -0.00 -1.26 -5.06 115.22 104.38 2jnk n HIS 136 Ca 0.02 2.13 -0.20 0.00 -0.00 0.00 0.00 57.72 59.67 2jnk n HIS 136 Cb 0.50 -3.35 -0.06 0.00 -0.00 0.00 0.00 29.99 27.08 2jnk n HIS 136 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2jnk n HIS 137 N -2.56 0.01 -1.81 1.57 1.44 -1.26 -5.16 115.22 107.46 2jnk n HIS 137 Ca -0.00 -2.19 -0.31 0.00 -2.01 0.00 0.00 57.72 53.21 2jnk n HIS 137 Cb 0.45 0.03 0.03 0.00 0.12 0.00 0.00 29.99 30.62 2jnk n HIS 137 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2jnk s HIS 138 N -2.86 3.42 0.32 -1.40 2.46 -1.26 -5.09 115.29 110.88 2jnk s HIS 138 Ca 0.19 1.24 0.01 0.00 0.47 0.00 0.00 55.06 56.97 2jnk s HIS 138 Cb 0.01 -2.86 -0.00 0.00 -0.13 0.00 0.00 32.58 29.60 2jnk s HIS 138 CO 0.14 -0.97 0.04 0.72 -2.47 0.00 0.00 174.74 172.20 2jnk n HIS 139 N -2.92 0.54 1.82 3.88 8.25 -1.26 -5.34 115.22 120.19 2jnk n HIS 139 Ca 0.07 -1.75 0.15 0.00 -0.26 0.00 0.00 57.72 55.92 2jnk n HIS 139 Cb 0.55 -0.15 0.86 0.00 1.12 0.00 0.00 29.99 32.38 2jnk n HIS 139 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70