#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnk n ASP 2 N 0.00 0.89 0.00 6.12 9.92 -1.26 -4.82 116.55 127.40 2jnk n ASP 2 Ca 0.00 -2.03 0.00 0.00 -0.53 0.00 0.00 54.79 52.23 2jnk n ASP 2 Cb 0.00 -0.25 0.00 0.00 -0.64 0.00 0.00 41.12 40.23 2jnk n ASP 2 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2jnk n LYS 3 N -0.18 0.37 0.08 -1.24 5.02 -1.26 -4.74 118.16 116.21 2jnk n LYS 3 Ca 0.02 -0.54 0.11 0.00 -2.02 0.00 0.00 58.31 55.88 2jnk n LYS 3 Cb 0.94 -0.71 -0.01 0.00 -0.02 0.00 0.00 35.03 35.23 2jnk n LYS 3 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2jnk n THR 4 N -0.10 0.50 -0.32 -0.18 -1.04 -1.26 -4.29 114.28 107.59 2jnk n THR 4 Ca 0.00 -0.51 0.24 0.00 -2.04 0.00 0.00 64.05 61.74 2jnk n THR 4 Cb 0.26 -0.25 0.47 0.00 -1.82 0.00 0.00 70.33 68.99 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 0.00 0.20 0.14 8.00 -0.26 -1.95 1.11 115.58 122.83 2jnk h ASN 5 Ca 0.00 0.23 -0.01 0.00 -0.56 0.00 0.00 56.30 55.97 2jnk h ASN 5 Cb 0.97 0.27 0.00 0.00 -1.06 0.00 0.00 38.32 38.49 2jnk h ASN 5 CO 0.00 -0.30 -0.07 -0.07 -1.06 0.00 0.00 177.43 175.94 2jnk h LEU 6 N 0.13 -0.16 -1.51 1.61 -0.00 -1.93 -2.48 115.31 110.96 2jnk h LEU 6 Ca 0.73 0.01 0.04 0.00 -0.00 0.00 0.00 57.88 58.66 2jnk h LEU 6 Cb 1.76 0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 42.45 2jnk h LEU 6 CO -0.73 0.05 0.55 1.23 -0.00 0.00 0.00 178.44 179.54 2jnk h GLY 7 N -0.52 0.00 1.29 0.83 0.00 -1.54 1.26 103.07 104.39 2jnk h GLY 7 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.19 2jnk h GLY 7 CO 0.03 0.00 -1.06 -2.09 0.00 0.00 0.00 176.54 173.42 2jnk h GLU 8 N 0.00 0.00 0.00 4.80 4.22 0.12 -3.03 114.58 120.70 2jnk h GLU 8 Ca 0.07 0.00 -0.39 0.00 0.08 0.00 0.00 59.36 59.12 2jnk h GLU 8 Cb 1.17 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.35 2jnk h GLU 8 CO -0.00 0.29 -2.45 1.28 -2.18 0.00 0.00 179.01 175.95 2jnk n LEU 9 N -2.95 2.60 0.13 1.64 4.77 0.34 -4.39 117.00 119.14 2jnk n LEU 9 Ca -0.05 -0.11 -0.01 0.00 -0.03 0.00 0.00 56.01 55.81 2jnk n LEU 9 Cb 0.76 -0.75 0.22 0.00 -2.33 0.00 0.00 43.42 41.32 2jnk n LEU 9 CO 0.42 0.88 0.58 0.16 -1.33 0.00 0.00 177.39 178.10 2jnk h ILE 10 N 0.00 1.36 -0.98 -0.08 3.07 0.87 -0.80 117.51 120.95 2jnk h ILE 10 Ca -0.57 -1.74 0.25 0.00 1.55 0.00 0.00 64.86 64.35 2jnk h ILE 10 Cb 1.95 1.89 -0.07 0.00 -0.27 0.00 0.00 36.82 40.32 2jnk h ILE 10 CO -0.07 0.51 0.66 0.78 -1.05 0.00 0.00 178.15 178.97 2jnk h ASN 11 N 0.08 0.32 0.19 2.16 -0.26 -1.69 0.67 115.58 117.06 2jnk h ASN 11 Ca 0.00 0.05 -0.32 0.00 -0.56 0.00 0.00 56.30 55.46 2jnk h ASN 11 Cb 0.92 -0.01 -0.06 0.00 -1.06 0.00 0.00 38.32 38.11 2jnk h ASN 11 CO 0.07 0.09 -2.11 0.00 -1.06 0.00 0.00 177.43 174.42 2jnk n GLN 12 N -4.48 0.67 -0.07 0.81 10.64 -1.06 -4.18 117.38 119.70 2jnk n GLN 12 Ca 0.22 0.09 -0.12 0.00 -1.83 0.00 0.00 57.00 55.37 2jnk n GLN 12 Cb 0.86 -1.62 -0.05 0.00 -0.86 0.00 0.00 30.24 28.57 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 3.83 0.45 1.29 2.61 0.00 0.64 0.15 103.07 112.04 2jnk h GLY 13 Ca -0.43 -0.36 0.10 0.00 0.00 0.00 0.00 47.33 46.64 2jnk h GLY 13 CO 0.05 0.33 0.26 0.50 0.00 0.00 0.00 176.54 177.67 2jnk h LYS 14 N 0.15 0.00 0.15 4.80 6.56 0.02 0.64 116.57 128.89 2jnk h LYS 14 Ca 0.06 0.00 -0.33 0.00 -1.06 0.00 0.00 60.65 59.32 2jnk h LYS 14 Cb 0.49 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.15 2jnk h LYS 14 CO 0.02 0.00 -1.62 0.77 -2.06 0.00 0.00 179.45 176.56 2jnk h SER 15 N 0.00 0.51 0.60 0.86 0.02 -1.64 -3.05 113.55 110.85 2jnk h SER 15 Ca 0.16 -0.72 -0.03 0.00 -0.84 0.00 0.00 61.79 60.36 2jnk h SER 15 Cb 0.68 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 63.06 2jnk h SER 15 CO -0.00 1.60 -0.29 -0.07 -1.14 0.00 0.00 176.83 176.93 2jnk h LEU 16 N 0.09 -0.68 -1.89 5.07 3.38 0.91 0.88 115.31 123.07 2jnk h LEU 16 Ca -0.29 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2jnk h LEU 16 Cb 2.06 0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.99 2jnk h LEU 16 CO 0.18 -0.46 0.06 -0.07 0.09 0.00 0.00 178.44 178.24 2jnk h LEU 17 N -0.87 0.00 0.00 1.67 -0.00 -1.13 0.16 115.31 115.13 2jnk h LEU 17 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.80 2jnk h LEU 17 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.28 2jnk h LEU 17 CO 0.14 0.00 -1.75 0.47 -0.00 0.00 0.00 178.44 177.29 2jnk n ASP 18 N -2.53 0.21 -0.03 -0.43 9.92 -0.97 -4.73 116.55 118.00 2jnk n ASP 18 Ca -0.02 0.07 -0.03 0.00 -0.53 0.00 0.00 54.79 54.28 2jnk n ASP 18 Cb 0.11 1.62 -0.01 0.00 -0.64 0.00 0.00 41.12 42.20 2jnk n ASP 18 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2jnk n GLU 19 N -2.35 0.18 -1.54 -1.24 4.71 0.30 -4.90 120.64 115.79 2jnk n GLU 19 Ca -0.03 0.07 -0.41 0.00 -0.01 0.00 0.00 57.16 56.78 2jnk n GLU 19 Cb 0.56 -0.77 -0.05 0.00 -1.01 0.00 0.00 31.44 30.18 2jnk n GLU 19 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 2jnk n SER 20 N -3.23 2.41 -4.88 1.62 3.41 0.30 -4.93 113.62 108.33 2jnk n SER 20 Ca -0.05 -0.08 -0.33 0.00 -0.26 0.00 0.00 58.87 58.15 2jnk n SER 20 Cb 0.18 -1.47 -0.05 0.00 -0.26 0.00 0.00 64.21 62.61 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 9.93 5.29 -0.45 -3.33 0.11 -1.25 -4.75 120.40 125.94 2jnk s VAL 21 Ca 1.04 -0.20 -0.29 0.00 -2.93 0.00 0.00 61.98 59.61 2jnk s VAL 21 Cb -0.43 -3.45 0.02 0.00 -1.53 0.00 0.00 36.38 30.98 2jnk s VAL 21 CO 0.35 0.34 1.33 -1.83 -3.33 0.00 0.00 175.10 171.96 2jnk s GLU 22 N -1.86 3.58 0.00 1.54 4.04 -1.26 -0.89 118.70 123.85 2jnk s GLU 22 Ca 0.26 0.76 0.00 0.00 0.04 0.00 0.00 54.97 56.03 2jnk s GLU 22 Cb -0.12 -4.01 0.00 0.00 0.02 0.00 0.00 34.13 30.02 2jnk s GLU 22 CO 0.17 -1.57 0.00 0.41 -1.84 0.00 0.00 175.26 172.43 2jnk n GLY 23 N 5.04 0.89 0.00 -3.83 0.00 0.94 -4.75 105.19 103.48 2jnk n GLY 23 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2jnk n GLY 23 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2jnk n PHE 24 N 0.00 0.00 -3.87 1.61 7.35 -1.25 -4.63 117.46 116.67 2jnk n PHE 24 Ca 0.00 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.73 2jnk n PHE 24 Cb 0.00 0.00 0.01 0.00 0.35 0.00 0.00 39.48 39.84 2jnk n PHE 24 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 2jnk s ASN 25 N 0.00 -0.00 -0.12 -2.13 -0.87 -1.15 -4.32 114.94 106.34 2jnk s ASN 25 Ca 0.00 -0.07 -0.38 0.00 -1.57 0.00 0.00 52.86 50.84 2jnk s ASN 25 Cb 0.00 0.06 -0.15 0.00 -0.02 0.00 0.00 41.25 41.13 2jnk s ASN 25 CO 0.00 -0.12 1.62 0.55 -2.57 0.00 0.00 177.10 176.59 2jnk n VAL 26 N -0.80 0.22 0.00 1.60 3.14 -1.26 -0.01 118.33 121.22 2jnk n VAL 26 Ca 0.00 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 2jnk n VAL 26 Cb 0.60 -1.18 0.00 0.00 -1.06 0.00 0.00 33.84 32.20 2jnk n VAL 26 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2jnk n GLY 27 N 3.65 2.88 2.90 7.55 0.00 -0.59 -5.01 105.19 116.58 2jnk n GLY 27 Ca 0.23 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.85 0.21 0.58 1.61 2.02 0.98 -3.85 118.70 119.40 2jnk s GLU 28 Ca 0.00 -0.07 0.08 0.00 0.02 0.00 0.00 54.97 55.00 2jnk s GLU 28 Cb 0.00 -0.23 0.08 0.00 0.10 0.00 0.00 34.13 34.09 2jnk s GLU 28 CO 0.00 0.03 0.79 1.52 0.02 0.00 0.00 175.26 177.62 2jnk s TYR 29 N 0.07 1.61 -0.78 1.61 1.13 -0.07 -2.95 117.35 117.98 2jnk s TYR 29 Ca -0.00 -0.62 0.03 0.00 -1.41 0.00 0.00 57.07 55.06 2jnk s TYR 29 Cb -0.03 -2.34 0.24 0.00 -1.10 0.00 0.00 41.96 38.73 2jnk s TYR 29 CO -0.00 -1.14 0.82 1.58 -2.51 0.00 0.00 175.55 174.30 2jnk n HIS 30 N -2.28 3.50 -1.23 -3.49 -0.00 -1.26 0.32 115.22 110.79 2jnk n HIS 30 Ca 0.15 -3.95 0.13 0.00 0.46 0.00 0.00 57.72 54.51 2jnk n HIS 30 Cb 0.61 -0.80 -0.07 0.00 -0.12 0.00 0.00 29.99 29.60 2jnk n HIS 30 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2jnk n LYS 31 N 1.44 -2.54 -0.11 1.57 5.02 -1.26 -4.59 118.16 117.68 2jnk n LYS 31 Ca 0.26 2.09 0.00 0.00 -2.02 0.00 0.00 58.31 58.63 2jnk n LYS 31 Cb 0.38 -3.10 0.00 0.00 -0.02 0.00 0.00 35.03 32.29 2jnk n LYS 31 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jnk n GLY 32 N -4.03 2.70 0.04 0.72 0.00 -1.26 -4.87 105.19 98.49 2jnk n GLY 32 Ca -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 -0.53 4.61 0.00 -1.95 -3.40 119.26 117.99 2jnk h ALA 33 Ca 0.00 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.59 2jnk h ALA 33 Cb 0.00 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 2jnk h ALA 33 CO 0.00 0.29 -0.34 0.87 0.00 0.00 0.00 179.25 180.06 2jnk h LYS 34 N -0.64 -0.04 -0.05 0.00 1.57 -1.92 -2.95 116.57 112.54 2jnk h LYS 34 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2jnk h LYS 34 Cb 0.29 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2jnk h LYS 34 CO 0.00 -0.03 -0.03 -3.47 -0.57 0.00 0.00 179.45 175.36 2jnk n ASP 35 N -4.31 -0.05 0.00 0.86 2.03 -1.26 -0.07 116.55 113.75 2jnk n ASP 35 Ca 0.01 0.68 0.00 0.00 0.52 0.00 0.00 54.79 55.99 2jnk n ASP 35 Cb 0.16 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 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 -1.01 -2.08 0.28 0.27 0.00 -1.11 0.36 105.19 101.90 2jnk n GLY 36 Ca 0.00 0.44 0.06 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 -0.27 -1.32 0.99 5.85 -1.61 0.35 115.31 119.30 2jnk h LEU 37 Ca 0.00 0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2jnk h LEU 37 Cb 0.00 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 2jnk h LEU 37 CO 0.00 -0.15 0.30 0.00 -0.34 0.00 0.00 178.44 178.25 2jnk h THR 38 N 0.13 1.17 -0.00 1.05 1.03 1.00 1.02 112.91 118.31 2jnk h THR 38 Ca 0.42 -0.43 -0.06 0.00 -0.01 0.00 0.00 66.41 66.32 2jnk h THR 38 Cb 0.74 0.42 -0.01 0.00 -1.07 0.00 0.00 68.15 68.23 2jnk h THR 38 CO -0.63 0.19 -0.29 0.58 -0.01 0.00 0.00 175.52 175.36 2jnk h VAL 39 N 0.78 1.21 0.00 0.00 2.07 1.05 1.56 116.25 122.91 2jnk h VAL 39 Ca 0.20 -0.99 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 2jnk h VAL 39 Cb 0.02 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 2jnk h VAL 39 CO -0.03 0.28 -1.26 -1.84 0.02 0.00 0.00 177.57 174.74 2jnk n GLU 40 N -4.20 0.62 0.11 1.57 -0.00 -0.53 -2.70 120.64 115.51 2jnk n GLU 40 Ca -0.02 0.10 -0.06 0.00 -0.00 0.00 0.00 57.16 57.18 2jnk n GLU 40 Cb 0.34 -1.78 -0.03 0.00 -0.00 0.00 0.00 31.44 29.97 2jnk n GLU 40 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 2jnk h ILE 41 N 0.00 0.00 -1.01 3.84 1.08 0.22 2.10 117.51 123.74 2jnk h ILE 41 Ca -0.05 -0.69 0.23 0.00 -0.39 0.00 0.00 64.86 63.95 2jnk h ILE 41 Cb 1.17 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.80 2jnk h ILE 41 CO 0.01 0.00 0.60 0.78 -0.69 0.00 0.00 178.15 178.86 2jnk h ASN 42 N -1.07 0.70 1.57 1.72 2.35 0.20 0.69 115.58 121.76 2jnk h ASN 42 Ca -0.04 0.12 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 2jnk h ASN 42 Cb 0.28 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 2jnk h ASN 42 CO 0.06 0.16 -0.44 0.50 -1.65 0.00 0.00 177.43 176.07 2jnk h LYS 43 N 0.63 0.00 0.12 0.81 3.64 -1.51 -3.25 116.57 117.01 2jnk h LYS 43 Ca 0.62 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 60.00 2jnk h LYS 43 Cb 1.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2jnk h LYS 43 CO -0.44 0.18 -0.06 0.00 -2.27 0.00 0.00 179.45 176.87 2jnk h ALA 44 N 1.79 -0.17 -1.00 5.00 0.00 0.93 -3.26 119.26 122.55 2jnk h ALA 44 Ca -0.02 -0.14 0.21 0.00 0.00 0.00 0.00 54.91 54.96 2jnk h ALA 44 Cb 1.17 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.92 2jnk h ALA 44 CO 0.02 -0.18 0.61 0.93 0.00 0.00 0.00 179.25 180.64 2jnk h GLU 45 N -1.00 0.65 -0.37 0.00 5.08 -0.98 1.42 114.58 119.37 2jnk h GLU 45 Ca -0.02 -0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.41 2jnk h GLU 45 Cb 0.34 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2jnk h GLU 45 CO 0.03 0.43 0.37 0.93 -1.00 0.00 0.00 179.01 179.77 2jnk h GLU 46 N 0.67 0.00 0.04 2.33 5.08 -1.64 -0.93 114.58 120.13 2jnk h GLU 46 Ca 0.59 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.58 2jnk h GLU 46 Cb 1.04 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.25 2jnk h GLU 46 CO -0.38 0.00 -2.14 0.28 -1.00 0.00 0.00 179.01 175.77 2jnk n VAL 47 N -3.84 1.60 -0.27 3.13 0.31 0.44 -3.10 118.33 116.60 2jnk n VAL 47 Ca 0.06 -0.48 0.06 0.00 -0.01 0.00 0.00 64.34 63.98 2jnk n VAL 47 Cb 0.54 -1.71 0.17 0.00 -0.91 0.00 0.00 33.84 31.94 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 -0.32 -0.06 -0.51 3.52 3.57 0.10 0.69 116.94 123.93 2jnk h PHE 48 Ca -0.52 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.04 2jnk h PHE 48 Cb 1.80 0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.69 2jnk h PHE 48 CO 0.03 -0.27 0.00 0.09 -2.23 0.00 0.00 178.31 175.93 2jnk n ASN 49 N -5.37 3.25 -4.82 0.41 3.02 -0.48 -4.91 115.26 106.36 2jnk n ASN 49 Ca 0.15 -1.97 -0.32 0.00 -0.03 0.00 0.00 54.58 52.41 2jnk n ASN 49 Cb 0.51 -0.34 0.01 0.00 -0.61 0.00 0.00 39.78 39.35 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 -1.33 3.38 -0.04 3.52 2.20 0.24 -4.99 119.74 122.73 2jnk s LYS 50 Ca 0.40 1.10 -0.08 0.00 -0.36 0.00 0.00 55.97 57.03 2jnk s LYS 50 Cb 0.22 -2.05 -0.30 0.00 -1.51 0.00 0.00 37.83 34.20 2jnk s LYS 50 CO 0.30 -0.75 0.70 1.49 -0.36 0.00 0.00 175.35 176.73 2jnk h GLU 51 N 0.32 0.35 -0.46 4.03 4.22 -1.88 -3.24 114.58 117.91 2jnk h GLU 51 Ca -0.46 -0.59 0.00 0.00 0.08 0.00 0.00 59.36 58.39 2jnk h GLU 51 Cb 1.21 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.68 2jnk h GLU 51 CO 0.58 1.25 0.00 -0.25 -2.18 0.00 0.00 179.01 178.41 2jnk n ASP 52 N -3.54 1.54 -1.86 1.04 8.00 -1.26 -4.26 116.55 116.21 2jnk n ASP 52 Ca -0.23 -2.10 -0.04 0.00 0.71 0.00 0.00 54.79 53.14 2jnk n ASP 52 Cb 1.07 -0.29 -0.06 0.00 -0.02 0.00 0.00 41.12 41.82 2jnk n ASP 52 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jnk n ALA 53 N 0.12 4.08 -1.20 2.24 0.00 -1.22 -3.40 120.51 121.13 2jnk n ALA 53 Ca 0.07 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2jnk n ALA 53 Cb 0.30 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 18.02 2jnk n ALA 53 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jnk n THR 54 N 2.08 0.00 0.75 0.00 -2.24 -1.26 -4.36 114.28 109.25 2jnk n THR 54 Ca 0.14 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.04 2jnk n THR 54 Cb 0.51 0.00 0.23 0.00 -2.10 0.00 0.00 70.33 68.97 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 0.17 -0.13 -0.78 2.13 -1.26 -3.60 120.64 117.17 2jnk n GLU 55 Ca 0.00 0.05 -0.27 0.00 0.66 0.00 0.00 57.16 57.60 2jnk n GLU 55 Cb 0.00 -1.61 -0.10 0.00 0.27 0.00 0.00 31.44 30.00 2jnk n GLU 55 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2jnk n GLU 56 N -1.86 0.58 0.05 5.31 0.28 -1.26 -4.48 120.64 119.26 2jnk n GLU 56 Ca 0.04 0.36 -0.17 0.00 -0.16 0.00 0.00 57.16 57.24 2jnk n GLU 56 Cb 0.40 -1.57 -0.07 0.00 1.43 0.00 0.00 31.44 31.62 2jnk n GLU 56 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2jnk h GLU 57 N -1.00 0.58 0.13 3.44 3.07 -1.75 -3.11 114.58 115.93 2jnk h GLU 57 Ca -0.59 -0.60 -0.00 0.00 -0.50 0.00 0.00 59.36 57.67 2jnk h GLU 57 Cb 1.52 0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 29.59 2jnk h GLU 57 CO -0.36 1.21 -0.11 0.82 -1.40 0.00 0.00 179.01 179.17 2jnk h ILE 58 N 0.34 0.00 -0.95 3.13 1.08 -1.76 0.89 117.51 120.23 2jnk h ILE 58 Ca -0.10 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.59 2jnk h ILE 58 Cb 1.60 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 35.23 2jnk h ILE 58 CO 0.18 0.00 0.51 -0.55 -0.69 0.00 0.00 178.15 177.60 2jnk h ASN 59 N -0.23 0.56 -0.28 1.72 -1.07 -1.79 1.83 115.58 116.32 2jnk h ASN 59 Ca -0.02 0.13 -0.05 0.00 0.07 0.00 0.00 56.30 56.43 2jnk h ASN 59 Cb 0.20 0.06 -0.02 0.00 -2.07 0.00 0.00 38.32 36.48 2jnk h ASN 59 CO -0.00 0.10 0.01 -0.07 0.07 0.00 0.00 177.43 177.54 2jnk h LEU 60 N 0.55 0.57 0.00 6.14 3.38 -1.39 0.38 115.31 124.92 2jnk h LEU 60 Ca 0.59 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.45 2jnk h LEU 60 Cb 1.08 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2jnk h LEU 60 CO -0.47 0.63 -0.80 0.00 0.09 0.00 0.00 178.44 177.89 2jnk h ALA 61 N 1.44 0.58 0.00 1.53 0.00 0.79 -3.34 119.26 120.26 2jnk h ALA 61 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 2jnk h ALA 61 Cb 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2jnk h ALA 61 CO 0.01 0.00 -1.52 0.36 0.00 0.00 0.00 179.25 178.10 2jnk n LYS 62 N -2.64 0.63 -0.26 0.00 -0.00 0.55 -3.49 118.16 112.95 2jnk n LYS 62 Ca 0.01 0.17 -0.09 0.00 -0.00 0.00 0.00 58.31 58.39 2jnk n LYS 62 Cb 0.53 -1.76 -0.06 0.00 -0.00 0.00 0.00 35.03 33.74 2jnk n LYS 62 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2jnk h GLU 63 N 0.00 -0.18 0.00 -1.58 5.08 -0.39 -0.53 114.58 116.99 2jnk h GLU 63 Ca -0.18 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 2jnk h GLU 63 Cb 1.57 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.86 2jnk h GLU 63 CO 0.04 -0.12 -1.58 0.45 -1.00 0.00 0.00 179.01 176.80 2jnk n SER 64 N -5.37 0.39 0.15 1.42 2.88 -1.26 -3.92 113.62 107.91 2jnk n SER 64 Ca 0.02 0.15 0.12 0.00 -1.33 0.00 0.00 58.87 57.83 2jnk n SER 64 Cb 0.33 1.23 0.51 0.00 -0.75 0.00 0.00 64.21 65.53 2jnk n SER 64 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2jnk h LEU 65 N 0.00 0.00 0.01 2.46 5.85 -1.50 1.28 115.31 123.41 2jnk h LEU 65 Ca -0.03 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.35 2jnk h LEU 65 Cb 1.08 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.05 2jnk h LEU 65 CO 0.00 0.00 -2.12 -1.84 -0.34 0.00 0.00 178.44 174.14 2jnk n GLU 66 N -2.33 0.67 -0.00 1.25 0.28 -0.24 -4.15 120.64 116.12 2jnk n GLU 66 Ca 0.02 0.15 0.08 0.00 -0.16 0.00 0.00 57.16 57.24 2jnk n GLU 66 Cb 0.24 -1.64 -0.10 0.00 1.43 0.00 0.00 31.44 31.38 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 1.76 -0.54 0.16 -1.84 0.00 -1.07 -4.19 105.19 99.46 2jnk n GLY 67 Ca -0.29 -0.43 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 2jnk n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jnk h ALA 68 N 2.05 -0.11 -0.67 4.61 0.00 0.14 -3.19 119.26 122.09 2jnk h ALA 68 Ca 0.00 -0.82 0.02 0.00 0.00 0.00 0.00 54.91 54.12 2jnk h ALA 68 Cb 0.46 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 2jnk h ALA 68 CO 0.00 0.67 0.42 -0.84 0.00 0.00 0.00 179.25 179.50 2jnk h ILE 69 N 0.16 1.11 -0.33 0.00 3.07 -1.72 0.24 117.51 120.04 2jnk h ILE 69 Ca -0.23 -0.29 0.10 0.00 1.55 0.00 0.00 64.86 65.99 2jnk h ILE 69 Cb 2.04 0.19 -0.01 0.00 -0.27 0.00 0.00 36.82 38.77 2jnk h ILE 69 CO 0.26 0.15 0.57 0.00 -1.05 0.00 0.00 178.15 178.08 2jnk h ALA 70 N 1.28 1.98 0.00 0.16 0.00 -1.72 0.30 119.26 121.26 2jnk h ALA 70 Ca 0.26 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 2jnk h ALA 70 Cb -0.01 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2jnk h ALA 70 CO -0.09 -0.74 -0.46 -0.09 0.00 0.00 0.00 179.25 177.87 2jnk h ARG 71 N 0.00 0.00 -0.98 0.00 9.65 -0.55 -3.33 114.38 119.16 2jnk h ARG 71 Ca 0.16 0.00 0.22 0.00 -1.10 0.00 0.00 59.98 59.26 2jnk h ARG 71 Cb 1.29 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 29.79 2jnk h ARG 71 CO -0.00 0.16 0.63 0.35 2.80 0.00 0.00 179.97 183.91 2jnk h PHE 72 N -1.00 0.71 -0.48 2.20 3.57 -0.70 0.36 116.94 121.61 2jnk h PHE 72 Ca -0.04 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2jnk h PHE 72 Cb 0.51 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 2jnk h PHE 72 CO -0.11 0.13 0.25 -0.91 -2.23 0.00 0.00 178.31 175.45 2jnk h ASN 73 N 0.49 0.58 -0.92 0.41 2.35 -1.15 -2.49 115.58 114.85 2jnk h ASN 73 Ca 0.55 -0.04 -0.63 0.00 -0.55 0.00 0.00 56.30 55.63 2jnk h ASN 73 Cb 1.24 -0.15 -0.35 0.00 0.05 0.00 0.00 38.32 39.11 2jnk h ASN 73 CO -0.27 0.48 0.17 -1.54 -1.65 0.00 0.00 177.43 174.61 2jnk n SER 74 N -4.41 6.54 -0.01 5.81 3.41 0.12 -4.47 113.62 120.62 2jnk n SER 74 Ca 0.04 -3.77 -0.00 0.00 -0.26 0.00 0.00 58.87 54.87 2jnk n SER 74 Cb 0.10 -0.71 -0.02 0.00 -0.26 0.00 0.00 64.21 63.32 2jnk n SER 74 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jnk n LEU 75 N -0.82 0.00 -2.20 1.04 4.77 -0.90 -4.30 117.00 114.58 2jnk n LEU 75 Ca 0.55 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 56.39 2jnk n LEU 75 Cb 0.78 0.03 -0.14 0.00 -2.33 0.00 0.00 43.42 41.77 2jnk n LEU 75 CO 0.63 0.03 1.73 0.00 -1.33 0.00 0.00 177.39 178.45 2jnk n LEU 76 N -1.86 5.15 -3.48 2.23 -0.00 -1.26 -4.11 117.00 113.67 2jnk n LEU 76 Ca -0.03 -3.07 -0.21 0.00 -0.00 0.00 0.00 56.01 52.70 2jnk n LEU 76 Cb 0.34 -1.31 0.04 0.00 -0.00 0.00 0.00 43.42 42.49 2jnk n LEU 76 CO 0.06 1.53 0.01 -0.38 -0.00 0.00 0.00 177.39 178.61 2jnk n ILE 77 N 2.69 -7.18 0.00 1.47 2.08 -1.12 -1.54 119.36 115.76 2jnk n ILE 77 Ca 0.43 -0.82 0.00 0.00 0.56 0.00 0.00 62.75 62.92 2jnk n ILE 77 Cb 0.75 -5.19 0.00 0.00 -0.75 0.00 0.00 39.64 34.46 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 -3.36 0.00 -0.07 0.38 -0.58 -1.12 -4.12 120.64 111.77 2jnk n GLU 78 Ca -0.09 0.00 0.17 0.00 -0.42 0.00 0.00 57.16 56.82 2jnk n GLU 78 Cb 0.59 0.00 0.26 0.00 -0.57 0.00 0.00 31.44 31.72 2jnk n GLU 78 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2jnk n GLU 79 N 0.00 0.01 -2.82 3.49 1.02 -1.26 0.10 120.64 121.19 2jnk n GLU 79 Ca 0.00 0.79 -0.01 0.00 -0.02 0.00 0.00 57.16 57.92 2jnk n GLU 79 Cb 0.00 -2.00 0.06 0.00 -0.02 0.00 0.00 31.44 29.48 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 -2.65 1.26 -0.16 1.62 2.88 -1.26 -4.87 113.62 110.44 2jnk n SER 80 Ca 0.14 -2.06 0.13 0.00 -1.33 0.00 0.00 58.87 55.75 2jnk n SER 80 Cb 1.11 -0.36 0.44 0.00 -0.75 0.00 0.00 64.21 64.65 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 -0.67 0.00 0.25 2.46 5.66 0.12 -3.97 114.28 118.12 2jnk n THR 81 Ca 0.05 -0.08 0.18 0.00 -3.05 0.00 0.00 64.05 61.14 2jnk n THR 81 Cb 0.81 0.19 0.87 0.00 -1.55 0.00 0.00 70.33 70.65 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 4.95 0.00 -7.37 1.09 0.00 -1.90 -3.30 103.07 96.55 2jnk h GLY 82 Ca 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.63 2jnk h GLY 82 CO 0.00 0.00 2.31 1.34 0.00 0.00 0.00 176.54 180.19 2jnk n ASP 83 N -3.40 4.74 0.07 0.19 2.03 -1.25 -4.70 116.55 114.23 2jnk n ASP 83 Ca 0.01 -2.92 -0.21 0.00 0.52 0.00 0.00 54.79 52.19 2jnk n ASP 83 Cb 0.36 -1.70 -0.12 0.00 -0.72 0.00 0.00 41.12 38.94 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 7.09 1.04 0.00 -0.67 0.04 -1.88 -3.18 116.94 119.38 2jnk h PHE 84 Ca 0.46 -0.61 0.00 0.00 2.80 0.00 0.00 57.97 60.62 2jnk h PHE 84 Cb 0.81 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.86 2jnk h PHE 84 CO 1.39 1.45 0.02 -0.97 -0.60 0.00 0.00 178.31 179.60 2jnk h ASN 85 N 0.33 0.00 0.00 2.17 -0.00 -1.84 -3.44 115.58 112.81 2jnk h ASN 85 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.14 2jnk h ASN 85 Cb 1.82 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 40.14 2jnk h ASN 85 CO 0.22 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 178.26 2jnk n GLY 86 N -1.14 0.45 0.08 1.57 0.00 -1.20 -4.77 105.19 100.17 2jnk n GLY 86 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.03 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 0.60 0.00 1.61 0.23 -1.26 -4.99 115.26 111.45 2jnk n ASN 87 Ca 0.00 0.26 0.00 0.00 -0.53 0.00 0.00 54.58 54.31 2jnk n ASN 87 Cb 0.00 0.65 0.00 0.00 -2.08 0.00 0.00 39.78 38.35 2jnk n ASN 87 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jnk n GLY 88 N 1.36 1.15 3.59 4.83 0.00 -1.26 -5.12 105.19 109.74 2jnk n GLY 88 Ca -0.09 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 2jnk n GLY 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jnk s LYS 89 N -0.12 0.64 -0.32 1.61 -2.85 -1.26 -5.12 119.74 112.32 2jnk s LYS 89 Ca 0.00 1.21 -0.10 0.00 -1.00 0.00 0.00 55.97 56.08 2jnk s LYS 89 Cb 0.00 0.25 -0.01 0.00 -2.06 0.00 0.00 37.83 36.02 2jnk s LYS 89 CO 0.00 -0.16 0.17 0.42 0.10 0.00 0.00 175.35 175.88 2jnk s ILE 90 N 1.86 4.73 0.01 3.79 -1.09 -1.26 -4.63 121.20 124.61 2jnk s ILE 90 Ca -0.09 -0.42 0.00 0.00 -2.23 0.00 0.00 60.65 57.91 2jnk s ILE 90 Cb -0.07 -3.44 0.00 0.00 -1.58 0.00 0.00 42.46 37.38 2jnk s ILE 90 CO -0.19 0.03 0.00 0.47 -1.23 0.00 0.00 174.94 174.02 2jnk n ASP 91 N 5.01 -0.13 0.13 3.58 8.00 -1.26 -4.95 116.55 126.93 2jnk n ASP 91 Ca -0.13 0.29 0.05 0.00 0.71 0.00 0.00 54.79 55.71 2jnk n ASP 91 Cb 0.49 0.40 0.03 0.00 -0.02 0.00 0.00 41.12 42.02 2jnk n ASP 91 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 2jnk h ILE 92 N 0.00 0.48 0.00 0.53 -0.00 -2.01 -3.24 117.51 113.27 2jnk h ILE 92 Ca 0.00 -1.74 0.00 0.00 -0.00 0.00 0.00 64.86 63.12 2jnk h ILE 92 Cb 0.00 2.12 0.00 0.00 -0.00 0.00 0.00 36.82 38.94 2jnk h ILE 92 CO 0.00 0.27 0.00 0.61 -0.00 0.00 0.00 178.15 179.03 2jnk n GLY 93 N 1.23 -0.03 0.13 8.18 0.00 -1.26 -3.09 105.19 110.35 2jnk n GLY 93 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.28 1.94 -1.55 1.61 2.03 -1.22 -3.29 116.55 115.79 2jnk n ASP 94 Ca 0.00 0.33 -0.11 0.00 0.52 0.00 0.00 54.79 55.52 2jnk n ASP 94 Cb 0.08 -0.83 0.19 0.00 -0.72 0.00 0.00 41.12 39.84 2jnk n ASP 94 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2jnk n LEU 95 N -4.21 5.07 0.00 -2.67 4.77 -1.21 -4.19 117.00 114.56 2jnk n LEU 95 Ca -0.48 -3.73 0.00 0.00 -0.03 0.00 0.00 56.01 51.78 2jnk n LEU 95 Cb 0.85 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2jnk n LEU 95 CO 0.10 1.19 0.00 0.00 -1.33 0.00 0.00 177.39 177.35 2jnk n ALA 96 N -1.13 0.15 -0.50 -1.18 0.00 -1.18 -4.90 120.51 111.78 2jnk n ALA 96 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2jnk n ALA 96 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.72 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 -0.82 0.00 0.11 0.00 2.81 -1.25 -4.17 117.12 113.80 2jnk n MET 97 Ca 0.00 0.22 -0.05 0.00 -1.81 0.00 0.00 57.70 56.06 2jnk n MET 97 Cb 0.00 -0.68 -0.02 0.00 -0.71 0.00 0.00 33.22 31.81 2jnk n MET 97 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 2jnk h VAL 98 N 0.00 0.00 0.00 2.03 3.04 -1.80 -3.25 116.25 116.27 2jnk h VAL 98 Ca 0.00 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 2jnk h VAL 98 Cb 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.28 2jnk h VAL 98 CO 0.00 0.00 0.30 0.77 -1.01 0.00 0.00 177.57 177.63 2jnk h SER 99 N -0.49 0.00 0.33 3.17 4.64 -1.86 0.18 113.55 119.52 2jnk h SER 99 Ca -0.03 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.19 2jnk h SER 99 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 2jnk h SER 99 CO 0.05 0.00 -0.42 0.50 -0.87 0.00 0.00 176.83 176.09 2jnk h LYS 100 N 0.00 0.12 0.00 4.77 3.11 -1.72 -3.29 116.57 119.56 2jnk h LYS 100 Ca 0.00 -0.06 -0.08 0.00 -2.81 0.00 0.00 60.65 57.71 2jnk h LYS 100 Cb 0.61 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.83 2jnk h LYS 100 CO 0.00 0.53 -0.65 -0.91 -2.81 0.00 0.00 179.45 175.61 2jnk h ASN 101 N 0.10 0.00 -4.85 4.20 2.35 -0.76 -3.50 115.58 113.13 2jnk h ASN 101 Ca 0.01 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 2jnk h ASN 101 Cb 0.79 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.16 2jnk h ASN 101 CO 0.06 0.99 -0.05 -0.38 -1.65 0.00 0.00 177.43 176.41 2jnk n ILE 102 N -4.58 -0.83 -3.30 2.81 2.08 -1.03 -3.50 119.36 111.01 2jnk n ILE 102 Ca -0.15 0.02 -0.17 0.00 0.56 0.00 0.00 62.75 63.01 2jnk n ILE 102 Cb 0.39 -1.98 0.07 0.00 -0.75 0.00 0.00 39.64 37.37 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 2.14 -0.23 0.12 7.39 0.00 0.30 -4.69 105.19 110.21 2jnk n GLY 103 Ca 0.00 0.04 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.95 0.12 -2.08 1.61 0.87 -1.83 -3.45 113.55 106.83 2jnk h SER 104 Ca -0.46 -0.09 -0.27 0.00 -1.23 0.00 0.00 61.79 59.74 2jnk h SER 104 Cb 1.29 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.21 2jnk h SER 104 CO 0.43 0.87 -0.36 0.41 -0.53 0.00 0.00 176.83 177.66 2jnk n THR 105 N -3.65 -0.73 0.00 2.23 -1.04 -1.20 -4.77 114.28 105.13 2jnk n THR 105 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2jnk n THR 105 Cb 0.77 -2.18 0.00 0.00 -1.82 0.00 0.00 70.33 67.09 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 -4.02 0.00 -3.18 12.58 -1.04 -1.26 -5.00 114.28 112.36 2jnk n THR 106 Ca -0.15 0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.40 2jnk n THR 106 Cb 0.62 -0.21 -0.03 0.00 -1.82 0.00 0.00 70.33 68.89 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 -3.30 6.57 0.00 8.00 2.47 -1.26 -4.83 114.94 122.58 2jnk s ASN 107 Ca 0.00 -2.20 0.27 0.00 0.42 0.00 0.00 52.86 51.35 2jnk s ASN 107 Cb 0.00 -2.28 0.85 0.00 -1.45 0.00 0.00 41.25 38.37 2jnk s ASN 107 CO 0.00 -0.83 1.63 0.35 -3.72 0.00 0.00 177.10 174.52 2jnk n THR 108 N 4.78 0.00 -0.11 -5.21 -2.24 -1.26 -4.19 114.28 106.06 2jnk n THR 108 Ca 0.10 -0.24 -0.08 0.00 -2.27 0.00 0.00 64.05 61.55 2jnk n THR 108 Cb 0.46 0.60 0.08 0.00 -2.10 0.00 0.00 70.33 69.37 2jnk n THR 108 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jnk h SER 109 N 2.30 0.84 -0.47 3.42 0.02 -1.97 -2.96 113.55 114.73 2jnk h SER 109 Ca 0.00 -0.30 -0.09 0.00 -0.84 0.00 0.00 61.79 60.56 2jnk h SER 109 Cb 0.56 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.82 2jnk h SER 109 CO 0.00 1.02 0.12 0.18 -1.14 0.00 0.00 176.83 177.00 2jnk n LEU 110 N -4.12 4.59 -4.20 5.07 4.32 -1.26 -4.77 117.00 116.64 2jnk n LEU 110 Ca 0.00 -2.36 -0.40 0.00 -0.02 0.00 0.00 56.01 53.24 2jnk n LEU 110 Cb 0.43 -0.66 -0.09 0.00 -1.62 0.00 0.00 43.42 41.48 2jnk n LEU 110 CO 0.45 0.60 -0.07 -1.81 -1.22 0.00 0.00 177.39 175.34 2jnk s ASP 111 N -0.54 5.60 0.65 -1.43 1.11 -1.12 -4.77 116.67 116.18 2jnk s ASP 111 Ca 0.38 -1.86 0.19 0.00 0.18 0.00 0.00 52.55 51.43 2jnk s ASP 111 Cb 0.30 -1.97 1.00 0.00 1.07 0.00 0.00 42.92 43.32 2jnk s ASP 111 CO 0.10 -0.64 1.56 -0.07 1.18 0.00 0.00 175.17 177.30 2jnk h LEU 112 N 8.36 0.00 0.01 1.23 3.38 -1.85 0.96 115.31 127.41 2jnk h LEU 112 Ca -0.20 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.40 2jnk h LEU 112 Cb 1.07 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.75 2jnk h LEU 112 CO 0.81 0.00 -2.34 0.59 0.09 0.00 0.00 178.44 177.59 2jnk n ASN 113 N -2.84 0.97 -2.14 -0.43 4.13 -1.26 -2.78 115.26 110.92 2jnk n ASN 113 Ca 0.01 -0.00 -0.16 0.00 1.68 0.00 0.00 54.58 56.11 2jnk n ASN 113 Cb 0.69 0.25 0.02 0.00 -1.54 0.00 0.00 39.78 39.20 2jnk n ASN 113 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2jnk n LYS 114 N -3.02 -3.20 0.00 3.52 5.02 0.33 -4.20 118.16 116.61 2jnk n LYS 114 Ca -0.36 0.66 0.16 0.00 -2.02 0.00 0.00 58.31 56.74 2jnk n LYS 114 Cb 1.08 -4.97 0.86 0.00 -0.02 0.00 0.00 35.03 31.99 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 -1.21 0.21 -0.19 4.39 2.03 -1.26 -4.88 116.55 115.63 2jnk n ASP 115 Ca -0.09 -0.96 0.00 0.00 0.52 0.00 0.00 54.79 54.26 2jnk n ASP 115 Cb 0.59 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 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 1.06 0.87 3.18 0.27 0.00 -1.26 -5.05 105.19 104.26 2jnk n GLY 116 Ca 0.22 -0.59 0.05 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.75 -0.13 -0.40 1.61 0.01 -1.26 -3.22 113.70 107.56 2jnk s SER 117 Ca 0.00 0.13 -0.28 0.00 1.31 0.00 0.00 55.95 57.11 2jnk s SER 117 Cb 0.00 1.13 -0.03 0.00 0.21 0.00 0.00 66.02 67.33 2jnk s SER 117 CO 0.00 -0.03 1.93 -0.63 0.41 0.00 0.00 173.24 174.92 2jnk s ILE 118 N 2.54 3.34 0.00 1.44 -1.09 -1.26 -4.40 121.20 121.78 2jnk s ILE 118 Ca -0.04 0.31 0.00 0.00 -2.23 0.00 0.00 60.65 58.69 2jnk s ILE 118 Cb -0.05 -3.57 0.00 0.00 -1.58 0.00 0.00 42.46 37.26 2jnk s ILE 118 CO -0.12 -0.43 0.00 -0.67 -1.23 0.00 0.00 174.94 172.49 2jnk n ASP 119 N 11.63 0.00 0.18 3.58 2.03 -1.26 0.11 116.55 132.82 2jnk n ASP 119 Ca 0.25 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.69 2jnk n ASP 119 Cb 0.49 0.00 0.58 0.00 -0.72 0.00 0.00 41.12 41.47 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 -1.93 -2.47 114.58 114.58 2jnk h GLU 120 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 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 -0.13 1.88 -1.00 0.00 0.00 179.01 179.76 2jnk h TYR 121 N 0.00 0.00 0.00 4.33 0.05 -1.91 -3.21 116.97 116.23 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 0.34 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.08 2jnk h TYR 121 CO 0.00 0.13 -1.11 0.39 -1.05 0.00 0.00 178.16 176.52 2jnk n GLU 122 N -3.17 0.45 0.08 4.88 -0.58 -0.93 -4.03 120.64 117.34 2jnk n GLU 122 Ca 0.02 0.02 0.02 0.00 -0.42 0.00 0.00 57.16 56.80 2jnk n GLU 122 Cb 0.51 -1.67 -0.03 0.00 -0.57 0.00 0.00 31.44 29.68 2jnk n GLU 122 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2jnk h ILE 123 N 0.00 0.63 -0.41 -3.67 1.08 -1.56 -3.37 117.51 110.21 2jnk h ILE 123 Ca 0.00 -2.04 0.05 0.00 -0.39 0.00 0.00 64.86 62.48 2jnk h ILE 123 Cb 0.86 2.17 -0.07 0.00 -3.07 0.00 0.00 36.82 36.71 2jnk h ILE 123 CO 0.00 0.36 -0.47 0.28 -0.69 0.00 0.00 178.15 177.63 2jnk h SER 124 N 0.00 -1.60 0.30 1.72 0.02 -1.72 -0.28 113.55 111.98 2jnk h SER 124 Ca -0.08 0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2jnk h SER 124 Cb 1.47 0.66 0.00 0.00 0.14 0.00 0.00 62.40 64.67 2jnk h SER 124 CO 0.05 -0.32 -0.14 0.15 -1.14 0.00 0.00 176.83 175.43 2jnk h PHE 125 N -0.29 -0.37 -0.08 3.45 3.04 -1.75 -3.15 116.94 117.78 2jnk h PHE 125 Ca 0.07 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.02 2jnk h PHE 125 Cb 0.48 0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.10 2jnk h PHE 125 CO -0.75 -0.23 -0.05 -0.89 -2.02 0.00 0.00 178.31 174.37 2jnk n ILE 126 N -3.11 -0.05 -0.56 1.41 2.08 -1.19 0.12 119.36 118.06 2jnk n ILE 126 Ca -0.05 1.56 0.44 0.00 0.56 0.00 0.00 62.75 65.26 2jnk n ILE 126 Cb 0.16 -2.05 0.70 0.00 -0.75 0.00 0.00 39.64 37.70 2jnk n ILE 126 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 2jnk n ASN 127 N -3.17 0.08 -0.10 4.38 4.13 -0.12 -1.06 115.26 119.40 2jnk n ASN 127 Ca 0.00 1.07 -0.19 0.00 1.68 0.00 0.00 54.58 57.14 2jnk n ASN 127 Cb 0.02 -0.53 -0.08 0.00 -1.54 0.00 0.00 39.78 37.65 2jnk n ASN 127 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 2jnk n HIS 128 N -4.10 0.66 -0.54 3.10 8.25 0.11 -3.21 115.22 119.49 2jnk n HIS 128 Ca 0.40 0.29 0.45 0.00 -0.26 0.00 0.00 57.72 58.59 2jnk n HIS 128 Cb 1.69 -0.96 0.78 0.00 1.12 0.00 0.00 29.99 32.63 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 0.01 0.08 -0.41 9.65 0.26 0.38 114.38 123.34 2jnk h ARG 129 Ca -0.33 -0.00 -0.27 0.00 -1.10 0.00 0.00 59.98 58.28 2jnk h ARG 129 Cb 1.19 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.76 2jnk h ARG 129 CO -0.20 0.01 -1.42 0.82 2.80 0.00 0.00 179.97 181.97 2jnk h ILE 130 N 0.01 0.94 0.77 1.20 5.03 -1.47 -3.39 117.51 120.60 2jnk h ILE 130 Ca 0.78 -2.32 -0.04 0.00 -0.12 0.00 0.00 64.86 63.17 2jnk h ILE 130 Cb 3.09 2.55 0.01 0.00 -3.03 0.00 0.00 36.82 39.44 2jnk h ILE 130 CO -0.04 0.62 -0.38 0.25 -0.68 0.00 0.00 178.15 177.92 2jnk h LEU 131 N -0.47 -0.90 -8.33 1.44 5.85 -0.38 -3.40 115.31 109.11 2jnk h LEU 131 Ca -0.33 0.03 -0.70 0.00 0.84 0.00 0.00 57.88 57.72 2jnk h LEU 131 Cb 1.64 0.24 -0.25 0.00 0.37 0.00 0.00 40.66 42.65 2jnk h LEU 131 CO -0.02 -0.64 -0.54 0.54 -0.34 0.00 0.00 178.44 177.45 2jnk s ASN 132 N -3.55 5.63 -0.01 1.25 2.20 0.54 -4.88 114.94 116.12 2jnk s ASN 132 Ca -0.15 -1.01 -0.00 0.00 -0.94 0.00 0.00 52.86 50.75 2jnk s ASN 132 Cb 0.02 -1.99 -0.00 0.00 -2.00 0.00 0.00 41.25 37.28 2jnk s ASN 132 CO 0.46 -0.37 -0.01 -0.11 -2.94 0.00 0.00 177.10 174.14 2jnk n LEU 133 N 4.95 2.04 -3.22 3.54 0.00 -1.26 -4.46 117.00 118.58 2jnk n LEU 133 Ca -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 55.88 2jnk n LEU 133 Cb 0.46 -0.02 -0.03 0.00 0.00 0.00 0.00 43.42 43.82 2jnk n LEU 133 CO 0.35 0.35 0.06 -0.70 0.00 0.00 0.00 177.39 177.46 2jnk s GLU 134 N -2.01 0.49 0.62 1.96 2.56 -1.26 -5.13 118.70 115.93 2jnk s GLU 134 Ca -0.01 0.67 0.00 0.00 0.00 0.00 0.00 54.97 55.63 2jnk s GLU 134 Cb 0.00 0.12 0.00 0.00 2.00 0.00 0.00 34.13 36.26 2jnk s GLU 134 CO 0.02 -0.78 0.00 0.72 -0.56 0.00 0.00 175.26 174.65 2jnk n HIS 135 N 5.40 -3.97 -2.28 5.30 8.25 -1.26 -4.37 115.22 122.29 2jnk n HIS 135 Ca -0.00 2.19 -0.34 0.00 -0.26 0.00 0.00 57.72 59.31 2jnk n HIS 135 Cb 0.51 -3.54 -0.04 0.00 1.12 0.00 0.00 29.99 28.04 2jnk n HIS 135 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jnk s HIS 136 N -4.59 2.26 -0.14 4.41 2.46 -1.26 -4.81 115.29 113.62 2jnk s HIS 136 Ca 0.00 -0.31 -0.34 0.00 0.47 0.00 0.00 55.06 54.88 2jnk s HIS 136 Cb 0.00 -4.31 0.14 0.00 -0.13 0.00 0.00 32.58 28.27 2jnk s HIS 136 CO 0.00 -1.52 1.28 -1.58 -2.47 0.00 0.00 174.74 170.45 2jnk s HIS 137 N 8.19 -0.07 0.00 3.88 5.04 -1.26 -5.11 115.29 125.96 2jnk s HIS 137 Ca 0.62 0.01 0.00 0.00 -1.54 0.00 0.00 55.06 54.15 2jnk s HIS 137 Cb 0.00 0.52 0.00 0.00 0.04 0.00 0.00 32.58 33.14 2jnk s HIS 137 CO 0.08 -0.18 0.00 0.72 -2.34 0.00 0.00 174.74 173.02 2jnk n HIS 138 N -0.25 0.00 -1.46 3.88 -0.00 -1.26 -4.82 115.22 111.30 2jnk n HIS 138 Ca -0.03 0.00 0.19 0.00 -0.00 0.00 0.00 57.72 57.88 2jnk n HIS 138 Cb 0.60 -0.14 -0.07 0.00 -0.00 0.00 0.00 29.99 30.38 2jnk n HIS 138 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jnk n HIS 139 N -1.71 -3.78 -0.35 4.41 -0.00 -1.26 -5.04 115.22 107.49 2jnk n HIS 139 Ca 0.00 1.96 0.00 0.00 -0.00 0.00 0.00 57.72 59.68 2jnk n HIS 139 Cb 0.00 -3.43 0.00 0.00 -0.00 0.00 0.00 29.99 26.56 2jnk n HIS 139 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92