#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 -7.83 -1.71 6.12 9.92 -1.26 -4.87 116.55 116.93 2jnk n ASP 2 Ca 0.00 1.10 -0.17 0.00 -0.53 0.00 0.00 54.79 55.19 2jnk n ASP 2 Cb 0.00 -3.08 -0.03 0.00 -0.64 0.00 0.00 41.12 37.37 2jnk n ASP 2 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2jnk n LYS 3 N -3.58 -1.29 -0.09 -1.24 3.00 -1.26 -4.90 118.16 108.80 2jnk n LYS 3 Ca 0.01 0.93 -0.12 0.00 -0.00 0.00 0.00 58.31 59.12 2jnk n LYS 3 Cb 0.46 -5.29 -0.05 0.00 0.00 0.00 0.00 35.03 30.15 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 -3.46 1.47 -0.34 3.15 -1.04 -1.26 -2.92 114.28 109.87 2jnk n THR 4 Ca -0.19 0.09 0.17 0.00 -2.04 0.00 0.00 64.05 62.08 2jnk n THR 4 Cb 0.62 -2.24 0.38 0.00 -1.82 0.00 0.00 70.33 67.27 2jnk n THR 4 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2jnk h ASN 5 N -1.00 0.68 0.00 8.00 -0.26 -1.96 0.89 115.58 121.93 2jnk h ASN 5 Ca -0.16 0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.69 2jnk h ASN 5 Cb 0.89 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.15 2jnk h ASN 5 CO -0.10 0.16 -0.01 -0.07 -1.06 0.00 0.00 177.43 176.36 2jnk h LEU 6 N 0.62 0.00 -1.66 1.61 4.07 -1.93 -1.20 115.31 116.82 2jnk h LEU 6 Ca 0.61 0.00 0.08 0.00 0.08 0.00 0.00 57.88 58.65 2jnk h LEU 6 Cb 1.15 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.88 2jnk h LEU 6 CO -0.41 0.38 0.55 1.23 -1.08 0.00 0.00 178.44 179.10 2jnk h GLY 7 N -0.74 0.00 0.51 0.83 0.00 -1.38 1.86 103.07 104.15 2jnk h GLY 7 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2jnk h GLY 7 CO 0.00 0.00 -1.52 -1.84 0.00 0.00 0.00 176.54 173.18 2jnk n GLU 8 N -3.19 0.63 -0.01 4.80 -0.00 0.31 -3.00 120.64 120.17 2jnk n GLU 8 Ca 0.04 -0.02 0.10 0.00 -0.00 0.00 0.00 57.16 57.28 2jnk n GLU 8 Cb 0.66 -1.68 -0.17 0.00 -0.00 0.00 0.00 31.44 30.26 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 -2.50 0.00 -0.11 -1.84 4.77 0.29 -4.47 117.00 113.14 2jnk n LEU 9 Ca -0.03 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.72 2jnk n LEU 9 Cb 0.59 0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.61 2jnk n LEU 9 CO 0.43 0.03 -0.66 2.30 -1.33 0.00 0.00 177.39 178.16 2jnk n ILE 10 N -2.27 1.53 -0.31 -0.08 -5.35 0.56 -2.02 119.36 111.41 2jnk n ILE 10 Ca -0.06 -0.07 0.23 0.00 -0.27 0.00 0.00 62.75 62.58 2jnk n ILE 10 Cb 0.59 -2.03 0.42 0.00 -1.74 0.00 0.00 39.64 36.88 2jnk n ILE 10 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2jnk n ASN 11 N -4.41 0.13 -0.02 7.28 3.02 -1.16 0.14 115.26 120.23 2jnk n ASN 11 Ca -0.34 1.57 -0.09 0.00 -0.03 0.00 0.00 54.58 55.69 2jnk n ASN 11 Cb 0.69 -0.68 -0.14 0.00 -0.61 0.00 0.00 39.78 39.05 2jnk n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jnk n GLN 12 N -5.24 0.64 0.30 3.52 10.64 -1.26 -3.68 117.38 122.29 2jnk n GLN 12 Ca 0.29 0.30 -0.12 0.00 -1.83 0.00 0.00 57.00 55.64 2jnk n GLN 12 Cb 0.98 -1.79 -0.06 0.00 -0.86 0.00 0.00 30.24 28.52 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 3.37 -0.81 1.98 2.61 0.00 0.18 1.30 103.07 111.70 2jnk h GLY 13 Ca -0.29 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2jnk h GLY 13 CO 0.08 -0.29 0.01 0.07 0.00 0.00 0.00 176.54 176.41 2jnk h LYS 14 N -0.83 0.00 0.04 4.80 2.10 -0.92 0.19 116.57 121.95 2jnk h LYS 14 Ca -0.08 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.31 2jnk h LYS 14 Cb 0.59 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.89 2jnk h LYS 14 CO 0.13 0.00 -1.35 1.03 -2.00 0.00 0.00 179.45 177.26 2jnk h SER 15 N 0.00 0.14 0.61 7.07 0.87 -1.57 -3.03 113.55 117.63 2jnk h SER 15 Ca 0.00 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.35 2jnk h SER 15 Cb 0.02 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2jnk h SER 15 CO -0.00 1.15 -0.29 0.25 -0.53 0.00 0.00 176.83 177.41 2jnk h LEU 16 N 0.02 -0.69 -1.02 2.23 6.46 0.47 0.41 115.31 123.19 2jnk h LEU 16 Ca -0.15 0.02 0.25 0.00 -0.12 0.00 0.00 57.88 57.88 2jnk h LEU 16 Cb 1.91 0.18 -0.13 0.00 -0.73 0.00 0.00 40.66 41.90 2jnk h LEU 16 CO 0.13 -0.34 0.60 0.25 -0.62 0.00 0.00 178.44 178.46 2jnk h LEU 17 N -1.13 0.65 -0.83 2.25 5.85 -1.32 1.23 115.31 122.00 2jnk h LEU 17 Ca -0.08 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2jnk h LEU 17 Cb 0.63 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.70 2jnk h LEU 17 CO 0.14 0.08 0.00 -0.67 -0.34 0.00 0.00 178.44 177.65 2jnk n ASP 18 N -4.89 1.29 -0.09 1.25 -0.08 -1.15 -3.90 116.55 108.98 2jnk n ASP 18 Ca 0.27 -1.45 -0.13 0.00 -1.51 0.00 0.00 54.79 51.98 2jnk n ASP 18 Cb 0.78 -0.01 -0.08 0.00 2.34 0.00 0.00 41.12 44.14 2jnk n ASP 18 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 2jnk n GLU 19 N 0.02 0.45 -0.32 -0.67 2.13 0.35 -5.00 120.64 117.60 2jnk n GLU 19 Ca 0.19 0.11 -0.11 0.00 0.66 0.00 0.00 57.16 58.01 2jnk n GLU 19 Cb 0.31 -1.36 0.10 0.00 0.27 0.00 0.00 31.44 30.76 2jnk n GLU 19 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2jnk n SER 20 N -3.04 -1.71 -3.65 4.31 3.41 0.29 -5.05 113.62 108.18 2jnk n SER 20 Ca -0.32 -0.65 -0.06 0.00 -0.26 0.00 0.00 58.87 57.58 2jnk n SER 20 Cb 0.84 -0.37 -0.07 0.00 -0.26 0.00 0.00 64.21 64.35 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 -1.66 -0.48 -0.48 -3.33 0.11 -1.26 -4.97 120.40 108.33 2jnk s VAL 21 Ca 0.26 0.04 -0.29 0.00 -2.93 0.00 0.00 61.98 59.06 2jnk s VAL 21 Cb -0.03 -0.88 0.03 0.00 -1.53 0.00 0.00 36.38 33.97 2jnk s VAL 21 CO 0.20 0.02 1.18 -1.83 -3.33 0.00 0.00 175.10 171.34 2jnk s GLU 22 N 2.24 3.68 0.00 1.54 4.04 -1.25 -1.11 118.70 127.84 2jnk s GLU 22 Ca -0.07 0.59 0.00 0.00 0.04 0.00 0.00 54.97 55.53 2jnk s GLU 22 Cb -0.09 -3.93 0.00 0.00 0.02 0.00 0.00 34.13 30.12 2jnk s GLU 22 CO -0.17 -1.44 0.00 0.41 -1.84 0.00 0.00 175.26 172.22 2jnk n GLY 23 N 4.91 1.12 0.00 -3.83 0.00 0.87 -4.78 105.19 103.48 2jnk n GLY 23 Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.85 1.61 1.16 -1.24 -4.50 117.46 110.63 2jnk n PHE 24 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.57 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 -0.80 -1.87 0.00 0.00 176.76 174.09 2jnk s ASN 25 N 0.00 -0.03 -0.20 5.98 0.01 -1.11 -4.64 114.94 114.95 2jnk s ASN 25 Ca 0.00 -0.43 -0.36 0.00 -0.71 0.00 0.00 52.86 51.35 2jnk s ASN 25 Cb 0.00 0.35 -0.13 0.00 0.41 0.00 0.00 41.25 41.89 2jnk s ASN 25 CO 0.00 -0.69 1.89 0.55 -1.51 0.00 0.00 177.10 177.34 2jnk n VAL 26 N -0.69 0.42 0.00 1.60 3.14 -1.26 0.01 118.33 121.55 2jnk n VAL 26 Ca -0.03 -0.12 0.00 0.00 -2.96 0.00 0.00 64.34 61.24 2jnk n VAL 26 Cb 0.60 -1.63 0.00 0.00 -1.06 0.00 0.00 33.84 31.75 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 4.72 2.08 2.87 7.55 0.00 -0.47 -5.02 105.19 116.92 2jnk n GLY 27 Ca 0.27 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.13 2jnk n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jnk s GLU 28 N -0.69 0.38 0.50 1.61 2.02 0.10 -4.26 118.70 118.36 2jnk s GLU 28 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 54.97 54.96 2jnk s GLU 28 Cb 0.00 -0.47 0.01 0.00 0.10 0.00 0.00 34.13 33.77 2jnk s GLU 28 CO 0.00 -0.05 0.73 1.52 0.02 0.00 0.00 175.26 177.48 2jnk s TYR 29 N 0.60 3.09 0.00 1.61 1.13 -0.27 -2.77 117.35 120.74 2jnk s TYR 29 Ca -0.06 0.17 0.00 0.00 -1.41 0.00 0.00 57.07 55.76 2jnk s TYR 29 Cb -0.09 -2.51 0.00 0.00 -1.10 0.00 0.00 41.96 38.26 2jnk s TYR 29 CO -0.01 -0.59 0.00 1.58 -2.51 0.00 0.00 175.55 174.02 2jnk n HIS 30 N -2.21 0.00 -3.67 -3.49 -0.00 -1.25 0.30 115.22 104.89 2jnk n HIS 30 Ca 0.04 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.11 2jnk n HIS 30 Cb 0.58 -0.21 -0.08 0.00 -0.12 0.00 0.00 29.99 30.16 2jnk n HIS 30 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 2jnk s LYS 31 N -0.52 0.64 0.00 1.57 2.20 -1.26 -4.54 119.74 117.84 2jnk s LYS 31 Ca 0.00 0.93 0.00 0.00 -0.36 0.00 0.00 55.97 56.54 2jnk s LYS 31 Cb 0.00 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 2jnk s LYS 31 CO 0.00 -0.11 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 2jnk n GLY 32 N 3.46 1.62 0.12 5.54 0.00 -1.26 -4.93 105.19 109.74 2jnk n GLY 32 Ca -0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.18 -0.95 4.61 0.00 -1.96 -2.00 119.26 118.78 2jnk h ALA 33 Ca 0.00 -0.06 0.28 0.00 0.00 0.00 0.00 54.91 55.13 2jnk h ALA 33 Cb 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2jnk h ALA 33 CO 0.00 -0.17 1.01 -0.22 0.00 0.00 0.00 179.25 179.87 2jnk h LYS 34 N -1.04 0.00 0.00 0.00 1.63 -1.95 -2.91 116.57 112.29 2jnk h LYS 34 Ca -0.02 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2jnk h LYS 34 Cb 0.18 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 2jnk h LYS 34 CO 0.03 0.00 0.00 -0.25 -3.45 0.00 0.00 179.45 175.78 2jnk n ASP 35 N -3.46 0.00 0.00 4.20 8.00 -1.24 -4.21 116.55 119.84 2jnk n ASP 35 Ca 0.21 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.81 2jnk n ASP 35 Cb 1.31 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.95 2jnk n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jnk n GLY 36 N 1.68 -1.66 0.34 0.44 0.00 -0.75 0.35 105.19 105.58 2jnk n GLY 36 Ca 0.00 0.36 0.12 0.00 0.00 0.00 0.00 46.02 46.50 2jnk n GLY 36 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2jnk n LEU 37 N -0.53 -0.19 -0.06 0.99 0.00 -1.16 -0.38 117.00 115.67 2jnk n LEU 37 Ca 0.00 1.67 -0.13 0.00 0.00 0.00 0.00 56.01 57.56 2jnk n LEU 37 Cb 0.00 -0.58 -0.06 0.00 0.00 0.00 0.00 43.42 42.78 2jnk n LEU 37 CO 0.00 -1.67 0.65 0.74 0.00 0.00 0.00 177.39 177.11 2jnk h THR 38 N 0.00 1.32 -0.93 1.96 2.02 -1.29 -1.72 112.91 114.26 2jnk h THR 38 Ca 0.56 -1.18 0.27 0.00 0.77 0.00 0.00 66.41 66.83 2jnk h THR 38 Cb 1.07 1.72 -0.04 0.00 -1.74 0.00 0.00 68.15 69.17 2jnk h THR 38 CO -0.95 0.35 0.75 0.58 0.37 0.00 0.00 175.52 176.62 2jnk h VAL 39 N 0.05 0.39 0.03 3.16 2.07 0.88 1.67 116.25 124.50 2jnk h VAL 39 Ca 0.04 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.26 2jnk h VAL 39 Cb 0.59 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 2jnk h VAL 39 CO 0.03 0.00 -1.63 -0.33 0.02 0.00 0.00 177.57 175.66 2jnk h GLU 40 N 0.00 0.06 0.13 1.57 4.39 -1.23 -2.81 114.58 116.70 2jnk h GLU 40 Ca 0.44 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 60.03 2jnk h GLU 40 Cb 1.93 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.62 2jnk h GLU 40 CO -0.00 0.72 -0.06 0.82 -1.16 0.00 0.00 179.01 179.32 2jnk h ILE 41 N 0.02 1.00 -0.37 3.13 1.08 0.28 1.96 117.51 124.61 2jnk h ILE 41 Ca -0.26 -0.60 0.07 0.00 -0.39 0.00 0.00 64.86 63.67 2jnk h ILE 41 Cb 1.99 1.38 -0.06 0.00 -3.07 0.00 0.00 36.82 37.05 2jnk h ILE 41 CO 0.10 0.14 -0.03 0.78 -0.69 0.00 0.00 178.15 178.45 2jnk h ASN 42 N -0.47 -0.21 1.08 1.72 2.35 0.14 1.07 115.58 121.27 2jnk h ASN 42 Ca -0.02 0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2jnk h ASN 42 Cb 0.37 0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.92 2jnk h ASN 42 CO 0.03 -0.06 -0.02 0.50 -1.65 0.00 0.00 177.43 176.23 2jnk h LYS 43 N 0.07 0.00 0.00 0.81 3.11 -1.30 -3.12 116.57 116.14 2jnk h LYS 43 Ca 0.18 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 58.00 2jnk h LYS 43 Cb 0.26 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.49 2jnk h LYS 43 CO -0.33 0.02 -0.26 0.00 -2.81 0.00 0.00 179.45 176.07 2jnk h ALA 44 N 1.98 0.02 -0.99 5.00 0.00 0.65 -3.37 119.26 122.56 2jnk h ALA 44 Ca -0.00 -0.30 0.31 0.00 0.00 0.00 0.00 54.91 54.91 2jnk h ALA 44 Cb 0.56 0.22 -0.15 0.00 0.00 0.00 0.00 17.79 18.43 2jnk h ALA 44 CO 0.00 0.22 0.54 0.93 0.00 0.00 0.00 179.25 180.95 2jnk h GLU 45 N -1.00 0.33 -0.20 0.00 5.08 0.91 1.84 114.58 121.54 2jnk h GLU 45 Ca -0.02 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 2jnk h GLU 45 Cb 0.35 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2jnk h GLU 45 CO -0.01 0.22 0.26 1.05 -1.00 0.00 0.00 179.01 179.52 2jnk h GLU 46 N 0.34 0.00 0.02 2.33 4.11 -1.70 -1.26 114.58 118.42 2jnk h GLU 46 Ca 0.71 0.00 -0.38 0.00 0.07 0.00 0.00 59.36 59.76 2jnk h GLU 46 Cb 1.58 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.78 2jnk h GLU 46 CO -0.60 0.00 -2.17 0.28 0.07 0.00 0.00 179.01 176.59 2jnk n VAL 47 N -3.65 1.56 -0.33 -1.06 0.31 0.60 -3.38 118.33 112.38 2jnk n VAL 47 Ca 0.02 -0.41 0.18 0.00 -0.01 0.00 0.00 64.34 64.13 2jnk n VAL 47 Cb 0.38 -1.76 0.39 0.00 -0.91 0.00 0.00 33.84 31.93 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 -0.55 0.89 -0.59 3.52 3.57 -0.12 0.79 116.94 124.45 2jnk h PHE 48 Ca -0.55 0.04 0.00 0.00 3.53 0.00 0.00 57.97 60.99 2jnk h PHE 48 Cb 1.70 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 40.20 2jnk h PHE 48 CO 0.01 -0.04 0.00 0.09 -2.23 0.00 0.00 178.31 176.14 2jnk n ASN 49 N -4.98 4.62 -4.94 0.41 3.02 -0.54 -4.94 115.26 107.92 2jnk n ASN 49 Ca 0.27 -2.49 -0.24 0.00 -0.03 0.00 0.00 54.58 52.09 2jnk n ASN 49 Cb 0.79 -0.56 0.01 0.00 -0.61 0.00 0.00 39.78 39.42 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 -1.91 3.15 -0.10 3.52 2.20 0.28 -5.03 119.74 121.85 2jnk s LYS 50 Ca 0.49 -0.27 0.04 0.00 -0.36 0.00 0.00 55.97 55.86 2jnk s LYS 50 Cb 0.32 -2.48 -0.24 0.00 -1.51 0.00 0.00 37.83 33.91 2jnk s LYS 50 CO 0.22 -0.30 0.42 0.39 -0.36 0.00 0.00 175.35 175.72 2jnk n GLU 51 N -2.18 0.69 -0.06 4.03 1.02 -1.26 -3.70 120.64 119.18 2jnk n GLU 51 Ca 0.01 0.25 0.01 0.00 -0.02 0.00 0.00 57.16 57.41 2jnk n GLU 51 Cb 0.57 -1.72 0.04 0.00 -0.02 0.00 0.00 31.44 30.32 2jnk n GLU 51 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2jnk n ASP 52 N -3.23 0.85 -2.34 1.62 9.92 -1.26 -4.24 116.55 117.87 2jnk n ASP 52 Ca -0.27 -2.04 -0.14 0.00 -0.53 0.00 0.00 54.79 51.81 2jnk n ASP 52 Cb 1.05 -0.22 -0.11 0.00 -0.64 0.00 0.00 41.12 41.19 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 -0.13 5.58 -1.63 2.24 0.00 -1.24 -3.30 120.51 122.01 2jnk n ALA 53 Ca 0.03 -1.78 0.00 0.00 0.00 0.00 0.00 53.44 51.69 2jnk n ALA 53 Cb 0.18 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.13 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 2.86 0.00 0.16 0.00 -2.24 -1.26 -4.41 114.28 109.39 2jnk n THR 54 Ca 0.41 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.31 2jnk n THR 54 Cb 0.63 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.88 2jnk n THR 54 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2jnk h GLU 55 N 0.00 0.00 0.00 -0.78 4.81 -1.98 -3.33 114.58 113.30 2jnk h GLU 55 Ca 0.00 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.87 2jnk h GLU 55 Cb 0.00 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 2jnk h GLU 55 CO 0.00 0.00 -2.02 -0.85 -0.73 0.00 0.00 179.01 175.41 2jnk n GLU 56 N -2.64 0.58 -0.04 1.92 0.28 -1.26 -4.44 120.64 115.04 2jnk n GLU 56 Ca 0.01 0.38 -0.14 0.00 -0.16 0.00 0.00 57.16 57.24 2jnk n GLU 56 Cb 0.54 -1.58 -0.09 0.00 1.43 0.00 0.00 31.44 31.73 2jnk n GLU 56 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2jnk h GLU 57 N -1.00 0.24 0.05 3.44 4.57 -1.78 -3.04 114.58 117.07 2jnk h GLU 57 Ca -0.55 -0.16 0.01 0.00 -1.18 0.00 0.00 59.36 57.48 2jnk h GLU 57 Cb 1.47 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 30.05 2jnk h GLU 57 CO -0.33 0.76 -0.36 0.82 -1.18 0.00 0.00 179.01 178.72 2jnk h ILE 58 N -0.25 0.00 -0.56 2.32 2.04 -1.77 0.58 117.51 119.87 2jnk h ILE 58 Ca -0.00 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.97 2jnk h ILE 58 Cb 0.76 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.73 2jnk h ILE 58 CO 0.04 0.00 -0.24 -0.55 0.00 0.00 0.00 178.15 177.40 2jnk h ASN 59 N -0.49 -0.84 -0.12 1.72 -1.07 -1.78 1.75 115.58 114.74 2jnk h ASN 59 Ca 0.00 0.20 0.02 0.00 0.07 0.00 0.00 56.30 56.59 2jnk h ASN 59 Cb 0.51 0.46 -0.01 0.00 -2.07 0.00 0.00 38.32 37.21 2jnk h ASN 59 CO -0.21 -0.26 0.08 -0.07 0.07 0.00 0.00 177.43 177.04 2jnk h LEU 60 N -0.11 0.05 0.00 6.14 3.38 -1.30 0.35 115.31 123.82 2jnk h LEU 60 Ca 0.25 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2jnk h LEU 60 Cb 0.50 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2jnk h LEU 60 CO -0.62 0.04 -0.91 0.00 0.09 0.00 0.00 178.44 177.03 2jnk h ALA 61 N 1.93 0.51 0.00 1.53 0.00 0.59 -3.36 119.26 120.46 2jnk h ALA 61 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.66 2jnk h ALA 61 Cb 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2jnk h ALA 61 CO -0.01 0.00 -1.82 0.36 0.00 0.00 0.00 179.25 177.79 2jnk n LYS 62 N -2.51 0.64 0.24 0.00 2.85 0.53 -3.94 118.16 115.98 2jnk n LYS 62 Ca 0.01 0.25 0.17 0.00 -1.05 0.00 0.00 58.31 57.69 2jnk n LYS 62 Cb 0.52 -1.75 0.80 0.00 -0.65 0.00 0.00 35.03 33.95 2jnk n LYS 62 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2jnk h GLU 63 N 0.00 0.00 0.00 -1.58 4.81 -0.52 0.13 114.58 117.42 2jnk h GLU 63 Ca -0.33 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.56 2jnk h GLU 63 Cb 2.05 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 31.37 2jnk h GLU 63 CO 0.07 0.00 -2.14 -1.13 -0.73 0.00 0.00 179.01 175.08 2jnk n SER 64 N -3.25 0.48 -0.16 1.04 3.41 -1.26 -4.04 113.62 109.83 2jnk n SER 64 Ca 0.02 0.15 -0.08 0.00 -0.26 0.00 0.00 58.87 58.69 2jnk n SER 64 Cb 0.46 0.49 0.06 0.00 -0.26 0.00 0.00 64.21 64.96 2jnk n SER 64 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2jnk h LEU 65 N 0.00 0.94 -1.44 1.04 5.85 -0.97 0.80 115.31 121.53 2jnk h LEU 65 Ca -0.45 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.02 2jnk h LEU 65 Cb 2.14 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.88 2jnk h LEU 65 CO 0.04 1.04 0.41 -0.33 -0.34 0.00 0.00 178.44 179.27 2jnk h GLU 66 N 0.86 0.69 -0.42 1.25 5.08 -1.18 -0.13 114.58 120.73 2jnk h GLU 66 Ca 0.15 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2jnk h GLU 66 Cb 0.60 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2jnk h GLU 66 CO 0.04 0.46 0.00 0.41 -1.00 0.00 0.00 179.01 178.92 2jnk n GLY 67 N -1.46 3.30 0.03 -3.84 0.00 -0.83 -3.90 105.19 98.49 2jnk n GLY 67 Ca 0.08 -0.83 -0.03 0.00 0.00 0.00 0.00 46.02 45.24 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 0.29 0.29 -0.12 4.61 0.00 0.27 -4.10 120.51 121.75 2jnk n ALA 68 Ca 0.21 -0.39 -0.12 0.00 0.00 0.00 0.00 53.44 53.14 2jnk n ALA 68 Cb 0.83 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 20.26 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 -0.42 1.29 -1.01 0.00 3.07 -1.74 -2.48 117.51 116.23 2jnk h ILE 69 Ca 0.00 -1.35 0.29 0.00 1.55 0.00 0.00 64.86 65.35 2jnk h ILE 69 Cb 0.33 1.39 -0.04 0.00 -0.27 0.00 0.00 36.82 38.23 2jnk h ILE 69 CO 0.00 0.45 0.80 0.00 -1.05 0.00 0.00 178.15 178.35 2jnk h ALA 70 N 0.78 2.90 0.11 0.16 0.00 -1.74 0.27 119.26 121.74 2jnk h ALA 70 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2jnk h ALA 70 Cb 0.77 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2jnk h ALA 70 CO 0.06 -1.32 -0.05 0.00 0.00 0.00 0.00 179.25 177.94 2jnk h ARG 71 N 0.00 -0.14 -0.91 0.00 -0.00 -1.60 -3.35 114.38 108.38 2jnk h ARG 71 Ca 0.48 0.01 0.21 0.00 -0.50 0.00 0.00 59.98 60.18 2jnk h ARG 71 Cb 2.08 0.03 -0.17 0.00 0.00 0.00 0.00 29.97 31.91 2jnk h ARG 71 CO -0.01 -0.09 -0.10 0.35 0.00 0.00 0.00 179.97 180.12 2jnk h PHE 72 N -0.59 -0.26 -0.99 3.04 3.04 -1.08 0.20 116.94 120.31 2jnk h PHE 72 Ca -0.01 0.07 0.35 0.00 3.98 0.00 0.00 57.97 62.36 2jnk h PHE 72 Cb 0.11 0.26 -0.17 0.00 2.56 0.00 0.00 35.95 38.71 2jnk h PHE 72 CO 0.02 -0.38 0.43 -0.91 -2.02 0.00 0.00 178.31 175.45 2jnk h ASN 73 N 0.02 0.21 -1.18 0.41 2.35 -1.13 0.62 115.58 116.88 2jnk h ASN 73 Ca 0.49 0.24 -0.65 0.00 -0.55 0.00 0.00 56.30 55.83 2jnk h ASN 73 Cb 0.87 0.27 -0.34 0.00 0.05 0.00 0.00 38.32 39.17 2jnk h ASN 73 CO -0.89 -0.31 0.27 -1.20 -1.65 0.00 0.00 177.43 173.65 2jnk n SER 74 N -5.24 6.58 -0.01 5.81 7.64 0.69 -4.46 113.62 124.64 2jnk n SER 74 Ca 0.32 -3.78 -0.00 0.00 1.01 0.00 0.00 58.87 56.42 2jnk n SER 74 Cb 1.05 -0.76 -0.01 0.00 -1.01 0.00 0.00 64.21 63.48 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 -0.74 0.00 -1.97 -3.43 4.32 0.22 -3.31 117.00 112.09 2jnk n LEU 75 Ca 0.53 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 56.41 2jnk n LEU 75 Cb 0.66 0.03 -0.14 0.00 -1.62 0.00 0.00 43.42 42.35 2jnk n LEU 75 CO 0.58 0.03 1.55 0.00 -1.22 0.00 0.00 177.39 178.33 2jnk n LEU 76 N -1.97 5.32 -3.57 2.23 -0.00 -1.24 -3.92 117.00 113.84 2jnk n LEU 76 Ca -0.02 -3.14 -0.25 0.00 -0.00 0.00 0.00 56.01 52.61 2jnk n LEU 76 Cb 0.47 -1.38 0.05 0.00 -0.00 0.00 0.00 43.42 42.56 2jnk n LEU 76 CO 0.03 1.62 -0.05 -0.38 -0.00 0.00 0.00 177.39 178.61 2jnk n ILE 77 N 2.29 -6.42 0.00 1.47 2.08 -1.24 -1.36 119.36 116.18 2jnk n ILE 77 Ca 0.38 -0.96 0.00 0.00 0.56 0.00 0.00 62.75 62.73 2jnk n ILE 77 Cb 0.85 -4.79 0.00 0.00 -0.75 0.00 0.00 39.64 34.95 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 -3.95 0.00 -0.28 0.38 -0.58 -1.22 -4.33 120.64 110.66 2jnk n GLU 78 Ca -0.14 0.00 0.25 0.00 -0.42 0.00 0.00 57.16 56.86 2jnk n GLU 78 Cb 0.62 0.00 0.39 0.00 -0.57 0.00 0.00 31.44 31.88 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 0.00 -2.36 3.49 1.02 -1.26 0.14 120.64 121.67 2jnk n GLU 79 Ca 0.00 0.66 -0.03 0.00 -0.02 0.00 0.00 57.16 57.78 2jnk n GLU 79 Cb 0.00 -1.59 0.05 0.00 -0.02 0.00 0.00 31.44 29.87 2jnk n GLU 79 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2jnk n SER 80 N -2.84 2.00 0.21 1.62 3.41 -1.26 -4.85 113.62 111.91 2jnk n SER 80 Ca 0.21 -2.38 0.15 0.00 -0.26 0.00 0.00 58.87 56.59 2jnk n SER 80 Cb 1.12 -0.43 0.51 0.00 -0.26 0.00 0.00 64.21 65.14 2jnk n SER 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jnk h THR 81 N 5.11 0.00 -1.15 6.66 1.03 0.93 -3.30 112.91 122.19 2jnk h THR 81 Ca -0.07 -0.54 0.39 0.00 -0.01 0.00 0.00 66.41 66.18 2jnk h THR 81 Cb 1.42 1.48 -0.10 0.00 -1.07 0.00 0.00 68.15 69.87 2jnk h THR 81 CO 0.25 0.00 0.75 0.61 -0.01 0.00 0.00 175.52 177.12 2jnk n GLY 82 N 0.39 -0.68 3.41 2.99 0.00 -1.26 -2.96 105.19 107.08 2jnk n GLY 82 Ca 0.02 0.59 -0.40 0.00 0.00 0.00 0.00 46.02 46.23 2jnk n GLY 82 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jnk n ASP 83 N -4.18 4.32 0.18 1.61 8.00 -1.25 -4.53 116.55 120.70 2jnk n ASP 83 Ca 0.32 -2.86 -0.14 0.00 0.71 0.00 0.00 54.79 52.82 2jnk n ASP 83 Cb 1.29 -1.70 -0.08 0.00 -0.02 0.00 0.00 41.12 40.61 2jnk n ASP 83 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2jnk h PHE 84 N 7.69 -0.36 0.00 1.24 0.04 -1.75 -2.01 116.94 121.79 2jnk h PHE 84 Ca 0.43 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.19 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 -0.20 0.00 -0.91 -0.60 0.00 0.00 178.31 177.99 2jnk h ASN 85 N -0.43 0.00 0.00 2.17 2.35 -1.86 -3.37 115.58 114.44 2jnk h ASN 85 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2jnk h ASN 85 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 2jnk h ASN 85 CO 0.07 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.46 2jnk n GLY 86 N -0.97 1.64 0.06 2.83 0.00 -0.76 -4.83 105.19 103.17 2jnk n GLY 86 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.01 2jnk n GLY 86 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jnk n ASN 87 N 0.00 0.16 0.00 1.61 6.94 -1.26 -5.03 115.26 117.69 2jnk n ASN 87 Ca 0.00 0.07 0.00 0.00 -0.02 0.00 0.00 54.58 54.63 2jnk n ASN 87 Cb 0.00 1.28 0.00 0.00 -2.36 0.00 0.00 39.78 38.70 2jnk n ASN 87 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jnk n GLY 88 N 1.47 0.64 3.41 4.83 0.00 -1.26 -5.15 105.19 109.12 2jnk n GLY 88 Ca -0.16 -0.73 -0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.59 0.55 -0.40 1.61 -2.85 -1.26 -5.09 119.74 111.70 2jnk s LYS 89 Ca 0.00 1.23 -0.00 0.00 -1.00 0.00 0.00 55.97 56.19 2jnk s LYS 89 Cb 0.00 0.66 0.11 0.00 -2.06 0.00 0.00 37.83 36.54 2jnk s LYS 89 CO 0.00 -0.38 0.17 0.42 0.10 0.00 0.00 175.35 175.66 2jnk s ILE 90 N 2.85 2.93 0.05 3.79 -1.09 -1.26 -4.44 121.20 124.03 2jnk s ILE 90 Ca 0.05 -2.27 0.00 0.00 -2.23 0.00 0.00 60.65 56.20 2jnk s ILE 90 Cb -0.13 -3.05 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 2jnk s ILE 90 CO -0.19 -0.67 0.00 -0.67 -1.23 0.00 0.00 174.94 172.17 2jnk n ASP 91 N 4.35 -0.46 0.01 3.58 -0.08 -1.26 -4.94 116.55 117.74 2jnk n ASP 91 Ca 0.01 0.29 0.11 0.00 -1.51 0.00 0.00 54.79 53.69 2jnk n ASP 91 Cb 0.41 0.67 -0.10 0.00 2.34 0.00 0.00 41.12 44.44 2jnk n ASP 91 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jnk n ILE 92 N -2.60 0.08 0.93 5.18 3.06 -1.26 -4.16 119.36 120.60 2jnk n ILE 92 Ca 0.00 -0.33 0.09 0.00 -2.50 0.00 0.00 62.75 60.01 2jnk n ILE 92 Cb 0.00 0.26 0.47 0.00 0.54 0.00 0.00 39.64 40.91 2jnk n ILE 92 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2jnk n GLY 93 N 1.34 -0.71 0.13 4.50 0.00 -1.26 -1.43 105.19 107.75 2jnk n GLY 93 Ca -0.00 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 2jnk n GLY 93 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jnk n ASP 94 N -1.16 2.06 -1.18 1.61 5.68 -1.26 -2.29 116.55 120.01 2jnk n ASP 94 Ca 0.10 0.11 -0.04 0.00 -0.50 0.00 0.00 54.79 54.46 2jnk n ASP 94 Cb 0.10 -0.71 0.20 0.00 -1.14 0.00 0.00 41.12 39.57 2jnk n ASP 94 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2jnk n LEU 95 N -3.48 4.20 0.00 -2.12 4.77 -1.14 -4.22 117.00 115.01 2jnk n LEU 95 Ca -0.38 -3.74 0.00 0.00 -0.03 0.00 0.00 56.01 51.87 2jnk n LEU 95 Cb 1.00 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2jnk n LEU 95 CO 0.35 1.23 0.00 0.00 -1.33 0.00 0.00 177.39 177.63 2jnk n ALA 96 N -1.10 0.17 -0.21 -1.18 0.00 -0.52 -4.94 120.51 112.74 2jnk n ALA 96 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2jnk n ALA 96 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.50 2jnk n ALA 96 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2jnk n MET 97 N -0.77 0.00 0.00 0.00 2.81 -1.20 -4.08 117.12 113.88 2jnk n MET 97 Ca 0.00 0.19 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 2jnk n MET 97 Cb 0.00 -0.63 0.00 0.00 -0.71 0.00 0.00 33.22 31.88 2jnk n MET 97 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 2jnk n VAL 98 N -2.00 0.00 0.00 2.03 3.14 -0.97 -2.53 118.33 118.01 2jnk n VAL 98 Ca 0.00 1.34 0.00 0.00 -2.96 0.00 0.00 64.34 62.72 2jnk n VAL 98 Cb 0.00 -2.25 0.00 0.00 -1.06 0.00 0.00 33.84 30.53 2jnk n VAL 98 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 2jnk n SER 99 N -1.67 0.00 0.31 6.55 3.41 -1.26 -2.38 113.62 118.58 2jnk n SER 99 Ca 0.00 0.25 0.20 0.00 -0.26 0.00 0.00 58.87 59.06 2jnk n SER 99 Cb 0.00 -0.25 0.99 0.00 -0.26 0.00 0.00 64.21 64.69 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 0.00 0.00 4.33 3.11 -1.64 -3.30 116.57 119.07 2jnk h LYS 100 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2jnk h LYS 100 Cb 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.28 2jnk h LYS 100 CO 0.00 0.01 -0.99 0.27 -2.81 0.00 0.00 179.45 175.94 2jnk n ASN 101 N -3.17 2.44 -2.64 4.20 0.23 -1.00 -5.07 115.26 110.25 2jnk n ASN 101 Ca -0.02 0.00 -0.02 0.00 -0.53 0.00 0.00 54.58 54.01 2jnk n ASN 101 Cb 0.16 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.85 2jnk n ASN 101 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 2jnk n ILE 102 N -2.68 -7.21 -0.25 1.53 2.08 -1.22 -4.46 119.36 107.15 2jnk n ILE 102 Ca 0.00 1.54 0.00 0.00 0.56 0.00 0.00 62.75 64.85 2jnk n ILE 102 Cb 0.49 -4.41 0.00 0.00 -0.75 0.00 0.00 39.64 34.97 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 2.06 0.80 3.69 7.39 0.00 0.30 -4.69 105.19 114.74 2jnk n GLY 103 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.31 6.97 -0.07 1.61 0.15 -1.26 -4.54 113.70 114.25 2jnk s SER 104 Ca 0.00 1.18 0.17 0.00 0.70 0.00 0.00 55.95 58.00 2jnk s SER 104 Cb 0.00 -2.43 -0.22 0.00 -1.71 0.00 0.00 66.02 61.66 2jnk s SER 104 CO 0.00 -0.24 0.48 0.41 1.20 0.00 0.00 173.24 175.08 2jnk n THR 105 N 4.23 1.25 0.00 6.45 -1.04 -1.02 -2.55 114.28 121.59 2jnk n THR 105 Ca 0.01 -0.76 0.00 0.00 -2.04 0.00 0.00 64.05 61.26 2jnk n THR 105 Cb 0.50 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 68.37 2jnk n THR 105 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2jnk n THR 106 N -2.82 0.00 -2.28 12.58 -2.24 -1.26 -3.73 114.28 114.54 2jnk n THR 106 Ca -0.19 1.46 -0.42 0.00 -2.27 0.00 0.00 64.05 62.63 2jnk n THR 106 Cb 0.98 -2.42 -0.00 0.00 -2.10 0.00 0.00 70.33 66.79 2jnk n THR 106 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2jnk n ASN 107 N -1.96 4.54 -0.30 3.42 5.15 -1.26 -4.67 115.26 120.18 2jnk n ASN 107 Ca 0.00 -2.89 0.14 0.00 -0.60 0.00 0.00 54.58 51.23 2jnk n ASN 107 Cb 0.00 -1.72 0.61 0.00 -0.53 0.00 0.00 39.78 38.15 2jnk n ASN 107 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2jnk n THR 108 N 5.98 0.00 -0.17 -0.44 -2.24 -1.24 -4.14 114.28 112.02 2jnk n THR 108 Ca 0.50 -0.16 0.29 0.00 -2.27 0.00 0.00 64.05 62.42 2jnk n THR 108 Cb 0.44 0.19 0.67 0.00 -2.10 0.00 0.00 70.33 69.52 2jnk n THR 108 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2jnk h SER 109 N 1.48 0.00 0.00 3.42 0.87 -1.91 -2.77 113.55 114.63 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 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 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 -3.72 0.18 -0.01 2.23 4.77 -1.26 -4.83 117.00 114.36 2jnk n LEU 110 Ca 0.20 0.33 -0.00 0.00 -0.03 0.00 0.00 56.01 56.51 2jnk n LEU 110 Cb 1.17 -0.46 -0.00 0.00 -2.33 0.00 0.00 43.42 41.80 2jnk n LEU 110 CO 0.31 -0.46 0.00 0.47 -1.33 0.00 0.00 177.39 176.39 2jnk n ASP 111 N -2.02 -0.00 0.09 -1.43 8.00 -1.05 -4.60 116.55 115.53 2jnk n ASP 111 Ca 0.00 -0.00 0.21 0.00 0.71 0.00 0.00 54.79 55.70 2jnk n ASP 111 Cb 0.00 -0.00 0.72 0.00 -0.02 0.00 0.00 41.12 41.82 2jnk n ASP 111 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 2jnk h LEU 112 N 0.02 0.00 0.16 0.64 -0.00 -1.86 1.11 115.31 115.38 2jnk h LEU 112 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.88 57.57 2jnk h LEU 112 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.67 2jnk h LEU 112 CO 0.00 0.00 -1.46 -1.13 -0.00 0.00 0.00 178.44 175.86 2jnk h ASN 113 N 0.00 0.52 -1.32 0.17 -1.24 -1.75 -3.22 115.58 108.74 2jnk h ASN 113 Ca 0.20 -0.63 -0.20 0.00 0.71 0.00 0.00 56.30 56.38 2jnk h ASN 113 Cb 1.21 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 40.07 2jnk h ASN 113 CO -0.00 1.51 -0.25 0.29 -1.29 0.00 0.00 177.43 177.69 2jnk n LYS 114 N -3.55 -0.80 0.20 6.67 5.02 0.38 -3.35 118.16 122.74 2jnk n LYS 114 Ca -0.15 0.54 0.15 0.00 -2.02 0.00 0.00 58.31 56.83 2jnk n LYS 114 Cb 1.05 -4.59 0.60 0.00 -0.02 0.00 0.00 35.03 32.08 2jnk n LYS 114 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 2jnk h ASP 115 N 0.00 0.00 -0.01 4.39 3.58 -1.88 -3.46 116.42 119.04 2jnk h ASP 115 Ca -0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.21 2jnk h ASP 115 Cb 1.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.16 2jnk h ASP 115 CO 0.29 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.26 2jnk n GLY 116 N -0.03 1.75 3.53 -0.78 0.00 -1.26 -5.06 105.19 103.34 2jnk n GLY 116 Ca 0.01 -0.11 0.02 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.12 -0.14 -0.43 1.61 0.01 -1.06 -2.44 113.70 109.13 2jnk s SER 117 Ca 0.00 0.22 -0.27 0.00 1.31 0.00 0.00 55.95 57.20 2jnk s SER 117 Cb 0.00 1.09 -0.03 0.00 0.21 0.00 0.00 66.02 67.29 2jnk s SER 117 CO 0.00 -0.03 1.97 -0.63 0.41 0.00 0.00 173.24 174.95 2jnk s ILE 118 N 1.38 3.31 0.00 1.44 -1.09 -1.22 -4.43 121.20 120.60 2jnk s ILE 118 Ca -0.06 0.26 0.00 0.00 -2.23 0.00 0.00 60.65 58.62 2jnk s ILE 118 Cb -0.02 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 2jnk s ILE 118 CO -0.12 -0.45 0.00 -0.67 -1.23 0.00 0.00 174.94 172.47 2jnk n ASP 119 N 12.13 0.36 0.15 3.58 -0.08 -1.26 0.11 116.55 131.54 2jnk n ASP 119 Ca 0.25 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.54 2jnk n ASP 119 Cb 0.49 0.00 0.23 0.00 2.34 0.00 0.00 41.12 44.18 2jnk n ASP 119 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2jnk h GLU 120 N 0.00 0.00 -0.01 -0.67 4.39 -2.00 -2.99 114.58 113.30 2jnk h GLU 120 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2jnk h GLU 120 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2jnk h GLU 120 CO 0.00 0.53 0.02 1.88 -1.16 0.00 0.00 179.01 180.28 2jnk h TYR 121 N 0.00 0.00 0.00 4.33 0.05 -1.92 -2.60 116.97 116.83 2jnk h TYR 121 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2jnk h TYR 121 Cb 1.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.75 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 -3.63 0.00 -0.32 4.88 -0.58 -1.13 -4.35 120.64 115.51 2jnk n GLU 122 Ca -0.03 0.04 0.28 0.00 -0.42 0.00 0.00 57.16 57.03 2jnk n GLU 122 Cb 0.10 -0.29 0.49 0.00 -0.57 0.00 0.00 31.44 31.17 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 -1.43 -0.23 -0.11 -3.67 -0.00 -1.21 0.27 119.36 112.98 2jnk n ILE 123 Ca 0.00 1.40 0.25 0.00 -0.00 0.00 0.00 62.75 64.40 2jnk n ILE 123 Cb 0.00 -2.29 0.54 0.00 -0.00 0.00 0.00 39.64 37.89 2jnk n ILE 123 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 2jnk h SER 124 N 0.00 0.00 0.00 7.28 0.02 -1.69 0.91 113.55 120.07 2jnk h SER 124 Ca 0.65 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.60 2jnk h SER 124 Cb 1.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.52 2jnk h SER 124 CO -0.42 0.00 0.00 0.33 -1.14 0.00 0.00 176.83 175.60 2jnk n PHE 125 N -3.37 0.00 0.12 3.45 7.35 0.14 -3.72 117.46 121.43 2jnk n PHE 125 Ca 0.18 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.66 2jnk n PHE 125 Cb 1.23 -0.36 -0.15 0.00 0.35 0.00 0.00 39.48 40.55 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 1.33 -0.96 -2.13 2.04 -1.67 -1.63 117.51 114.49 2jnk h ILE 126 Ca 0.00 -2.84 0.22 0.00 1.00 0.00 0.00 64.86 63.24 2jnk h ILE 126 Cb 0.00 2.96 -0.08 0.00 -0.74 0.00 0.00 36.82 38.96 2jnk h ILE 126 CO 0.00 0.85 0.63 -1.13 0.00 0.00 0.00 178.15 178.49 2jnk h ASN 127 N 0.11 0.46 0.00 1.72 -1.24 0.62 0.96 115.58 118.21 2jnk h ASN 127 Ca -0.22 0.06 -0.26 0.00 0.71 0.00 0.00 56.30 56.59 2jnk h ASN 127 Cb 2.08 -0.02 -0.04 0.00 0.73 0.00 0.00 38.32 41.07 2jnk h ASN 127 CO 0.23 0.16 -1.52 1.41 -1.29 0.00 0.00 177.43 176.42 2jnk n HIS 128 N -4.56 0.69 -0.36 0.67 8.25 -1.24 -4.22 115.22 114.45 2jnk n HIS 128 Ca 0.21 0.30 0.37 0.00 -0.26 0.00 0.00 57.72 58.34 2jnk n HIS 128 Cb 0.74 -1.01 0.75 0.00 1.12 0.00 0.00 29.99 31.59 2jnk n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jnk h ARG 129 N -1.00 0.01 -0.72 -0.41 2.47 -1.05 0.53 114.38 114.20 2jnk h ARG 129 Ca -0.39 -0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.35 2jnk h ARG 129 Cb 1.29 -0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.56 2jnk h ARG 129 CO -0.24 0.01 0.46 0.82 0.56 0.00 0.00 179.97 181.58 2jnk h ILE 130 N 0.01 1.10 0.19 2.04 2.04 -0.98 -2.98 117.51 118.93 2jnk h ILE 130 Ca 0.60 -0.31 -0.30 0.00 1.00 0.00 0.00 64.86 65.85 2jnk h ILE 130 Cb 2.38 0.13 0.02 0.00 -0.74 0.00 0.00 36.82 38.61 2jnk h ILE 130 CO -0.02 0.16 -1.44 -0.07 0.00 0.00 0.00 178.15 176.79 2jnk h LEU 131 N 0.89 0.61 -7.57 1.44 4.07 -0.23 -3.40 115.31 111.12 2jnk h LEU 131 Ca 0.29 -0.92 -0.78 0.00 0.08 0.00 0.00 57.88 56.55 2jnk h LEU 131 Cb 0.01 -0.20 -0.29 0.00 1.08 0.00 0.00 40.66 41.26 2jnk h LEU 131 CO -0.11 1.66 0.28 0.54 -1.08 0.00 0.00 178.44 179.73 2jnk s ASN 132 N -7.27 6.94 0.08 -0.43 4.22 -0.17 -4.71 114.94 113.60 2jnk s ASN 132 Ca -0.14 -3.45 0.00 0.00 -2.14 0.00 0.00 52.86 47.13 2jnk s ASN 132 Cb 0.04 -2.15 0.00 0.00 1.28 0.00 0.00 41.25 40.42 2jnk s ASN 132 CO 0.86 -0.32 0.00 -0.11 -2.04 0.00 0.00 177.10 175.49 2jnk n LEU 133 N 2.87 0.24 -4.34 3.54 0.00 -1.15 -4.53 117.00 113.64 2jnk n LEU 133 Ca 0.21 0.13 -0.37 0.00 0.00 0.00 0.00 56.01 55.99 2jnk n LEU 133 Cb 0.40 -0.00 -0.13 0.00 0.00 0.00 0.00 43.42 43.69 2jnk n LEU 133 CO 0.42 -0.62 -0.28 -0.70 0.00 0.00 0.00 177.39 176.21 2jnk s GLU 134 N -1.44 3.10 0.01 1.96 -6.30 -1.26 -5.06 118.70 109.70 2jnk s GLU 134 Ca 0.00 -0.85 -0.30 0.00 -2.50 0.00 0.00 54.97 51.32 2jnk s GLU 134 Cb 0.00 -3.35 -0.08 0.00 0.00 0.00 0.00 34.13 30.71 2jnk s GLU 134 CO 0.00 -0.43 1.86 -1.58 0.02 0.00 0.00 175.26 175.13 2jnk s HIS 135 N 1.49 1.52 -0.97 5.30 5.65 -1.26 -4.93 115.29 122.08 2jnk s HIS 135 Ca 0.03 -0.24 -0.04 0.00 0.25 0.00 0.00 55.06 55.05 2jnk s HIS 135 Cb -0.17 -4.13 0.24 0.00 -1.18 0.00 0.00 32.58 27.34 2jnk s HIS 135 CO 0.02 -4.99 0.90 -1.58 -0.65 0.00 0.00 174.74 168.44 2jnk s HIS 136 N 4.31 4.04 1.27 3.88 2.46 -1.26 -5.06 115.29 124.93 2jnk s HIS 136 Ca 0.83 -2.91 -0.20 0.00 0.47 0.00 0.00 55.06 53.25 2jnk s HIS 136 Cb -0.39 -3.46 0.31 0.00 -0.13 0.00 0.00 32.58 28.91 2jnk s HIS 136 CO 0.37 -0.81 1.06 -1.58 -2.47 0.00 0.00 174.74 171.31 2jnk s HIS 137 N -1.32 0.10 0.00 3.88 2.46 -1.26 -4.99 115.29 114.15 2jnk s HIS 137 Ca 0.29 0.49 0.00 0.00 0.47 0.00 0.00 55.06 56.31 2jnk s HIS 137 Cb -0.08 -3.31 0.00 0.00 -0.13 0.00 0.00 32.58 29.05 2jnk s HIS 137 CO -0.11 -4.23 0.00 1.58 -2.47 0.00 0.00 174.74 169.51 2jnk n HIS 138 N -5.03 -1.25 -2.14 3.88 -0.00 -1.26 -5.04 115.22 104.38 2jnk n HIS 138 Ca 0.13 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 58.02 2jnk n HIS 138 Cb 0.60 0.25 -0.05 0.00 -0.12 0.00 0.00 29.99 30.67 2jnk n HIS 138 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2jnk s HIS 139 N -1.53 1.97 0.00 1.57 2.46 -1.26 -5.39 115.29 113.12 2jnk s HIS 139 Ca 0.00 0.31 0.00 0.00 0.47 0.00 0.00 55.06 55.84 2jnk s HIS 139 Cb 0.00 -4.15 0.00 0.00 -0.13 0.00 0.00 32.58 28.30 2jnk s HIS 139 CO 0.00 -1.66 0.05 1.58 -2.47 0.00 0.00 174.74 172.24