#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnk s ASP 2 N 0.00 -0.59 -1.34 7.83 2.15 -1.26 -5.05 116.67 118.41 2jnk s ASP 2 Ca 0.00 0.21 -0.07 0.00 0.43 0.00 0.00 52.55 53.12 2jnk s ASP 2 Cb 0.00 1.43 0.02 0.00 -0.30 0.00 0.00 42.92 44.07 2jnk s ASP 2 CO 0.00 -0.11 2.68 2.29 -0.17 0.00 0.00 175.17 179.86 2jnk n LYS 3 N 5.32 4.04 0.02 4.34 2.85 -1.26 -4.49 118.16 128.98 2jnk n LYS 3 Ca 0.01 -2.82 -0.20 0.00 -1.05 0.00 0.00 58.31 54.25 2jnk n LYS 3 Cb 0.55 -2.64 -0.14 0.00 -0.65 0.00 0.00 35.03 32.15 2jnk n LYS 3 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 2jnk h THR 4 N 2.69 1.31 -1.03 0.58 2.02 -1.95 -3.04 112.91 113.48 2jnk h THR 4 Ca 0.73 -2.47 0.30 0.00 0.77 0.00 0.00 66.41 65.75 2jnk h THR 4 Cb 0.37 2.98 -0.04 0.00 -1.74 0.00 0.00 68.15 69.72 2jnk h THR 4 CO 1.51 0.69 0.85 0.78 0.37 0.00 0.00 175.52 179.73 2jnk h ASN 5 N -0.39 0.00 0.00 4.18 -0.26 -1.97 0.85 115.58 118.00 2jnk h ASN 5 Ca -0.21 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.53 2jnk h ASN 5 Cb 1.66 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.92 2jnk h ASN 5 CO 0.10 0.00 -0.08 -0.07 -1.06 0.00 0.00 177.43 176.32 2jnk h LEU 6 N 0.00 0.00 -1.56 1.61 4.07 -1.93 -2.24 115.31 115.27 2jnk h LEU 6 Ca 0.49 0.00 0.11 0.00 0.08 0.00 0.00 57.88 58.56 2jnk h LEU 6 Cb 2.19 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.92 2jnk h LEU 6 CO -0.01 0.15 0.63 1.23 -1.08 0.00 0.00 178.44 179.37 2jnk h GLY 7 N -0.23 0.00 0.77 0.83 0.00 -1.34 1.75 103.07 104.85 2jnk h GLY 7 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 2jnk h GLY 7 CO 0.00 0.00 -1.50 -2.21 0.00 0.00 0.00 176.54 172.83 2jnk n GLU 8 N -3.24 0.63 -0.01 4.80 4.07 0.29 -3.43 120.64 123.76 2jnk n GLU 8 Ca 0.07 0.13 0.10 0.00 -0.06 0.00 0.00 57.16 57.39 2jnk n GLU 8 Cb 0.77 -1.75 -0.13 0.00 -0.06 0.00 0.00 31.44 30.27 2jnk n GLU 8 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2jnk n LEU 9 N -2.75 0.40 -0.02 4.31 4.77 0.32 -4.51 117.00 119.52 2jnk n LEU 9 Ca -0.09 -0.22 -0.22 0.00 -0.03 0.00 0.00 56.01 55.45 2jnk n LEU 9 Cb 0.77 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.73 2jnk n LEU 9 CO 0.43 0.10 -0.67 0.16 -1.33 0.00 0.00 177.39 176.08 2jnk h ILE 10 N 0.00 0.77 -1.25 -0.08 3.07 0.20 -2.85 117.51 117.36 2jnk h ILE 10 Ca 0.00 -2.32 0.37 0.00 1.55 0.00 0.00 64.86 64.46 2jnk h ILE 10 Cb 0.70 2.48 -0.10 0.00 -0.27 0.00 0.00 36.82 39.63 2jnk h ILE 10 CO 0.00 0.73 0.83 0.78 -1.05 0.00 0.00 178.15 179.44 2jnk h ASN 11 N -0.24 0.26 0.34 2.16 2.35 -1.73 0.86 115.58 119.58 2jnk h ASN 11 Ca -0.39 0.09 -0.33 0.00 -0.55 0.00 0.00 56.30 55.13 2jnk h ASN 11 Cb 1.83 0.06 -0.00 0.00 0.05 0.00 0.00 38.32 40.25 2jnk h ASN 11 CO 0.02 -0.05 -1.65 0.06 -1.65 0.00 0.00 177.43 174.16 2jnk h GLN 12 N 0.17 0.29 0.42 0.81 3.07 -1.80 -3.25 115.11 114.82 2jnk h GLN 12 Ca 0.71 -0.49 -0.02 0.00 0.09 0.00 0.00 58.65 58.94 2jnk h GLN 12 Cb 2.23 0.18 -0.01 0.00 0.08 0.00 0.00 27.48 29.97 2jnk h GLN 12 CO -0.28 1.16 -0.30 0.78 0.09 0.00 0.00 178.83 180.28 2jnk h GLY 13 N 1.38 -0.96 1.27 0.06 0.00 0.92 0.95 103.07 106.69 2jnk h GLY 13 Ca -0.29 0.41 0.09 0.00 0.00 0.00 0.00 47.33 47.54 2jnk h GLY 13 CO 0.16 -0.32 0.28 0.07 0.00 0.00 0.00 176.54 176.72 2jnk h LYS 14 N -0.68 0.00 0.00 4.80 -0.00 -1.28 0.61 116.57 120.01 2jnk h LYS 14 Ca -0.06 0.00 -0.08 0.00 -0.00 0.00 0.00 60.65 60.52 2jnk h LYS 14 Cb 0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.78 2jnk h LYS 14 CO 0.03 0.00 -0.36 0.77 -0.00 0.00 0.00 179.45 179.89 2jnk h SER 15 N 0.00 0.00 0.04 7.07 0.02 -1.45 -2.25 113.55 116.99 2jnk h SER 15 Ca 0.15 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2jnk h SER 15 Cb 0.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 2jnk h SER 15 CO -0.00 0.36 -0.02 0.25 -1.14 0.00 0.00 176.83 176.28 2jnk h LEU 16 N 0.00 -0.05 -1.70 5.07 6.46 0.63 -2.03 115.31 123.69 2jnk h LEU 16 Ca -0.00 0.00 0.18 0.00 -0.12 0.00 0.00 57.88 57.93 2jnk h LEU 16 Cb 1.26 0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 41.15 2jnk h LEU 16 CO 0.05 0.30 0.52 0.25 -0.62 0.00 0.00 178.44 178.94 2jnk h LEU 17 N -0.73 0.27 0.00 2.25 7.12 -1.00 1.53 115.31 124.75 2jnk h LEU 17 Ca -0.01 0.02 -0.06 0.00 0.13 0.00 0.00 57.88 57.96 2jnk h LEU 17 Cb 0.05 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.13 2jnk h LEU 17 CO 0.01 0.13 -0.56 0.44 -0.13 0.00 0.00 178.44 178.32 2jnk h ASP 18 N 0.28 0.00 0.00 1.25 5.19 -1.52 -3.30 116.42 118.32 2jnk h ASP 18 Ca 0.38 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.79 2jnk h ASP 18 Cb 1.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.58 2jnk h ASP 18 CO -0.10 0.27 -0.88 -0.62 -3.12 0.00 0.00 179.24 174.79 2jnk n GLU 19 N -3.04 0.98 -3.53 3.56 -0.58 0.43 -4.83 120.64 113.63 2jnk n GLU 19 Ca 0.01 -0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.33 2jnk n GLU 19 Cb 0.65 -1.36 -0.09 0.00 -0.57 0.00 0.00 31.44 30.08 2jnk n GLU 19 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2jnk s SER 20 N -2.75 5.78 -0.01 1.62 1.04 0.49 -5.03 113.70 114.84 2jnk s SER 20 Ca 0.07 -1.62 -0.12 0.00 0.48 0.00 0.00 55.95 54.76 2jnk s SER 20 Cb 0.14 -2.04 -0.05 0.00 0.10 0.00 0.00 66.02 64.16 2jnk s SER 20 CO 0.75 -0.62 0.34 0.54 0.98 0.00 0.00 173.24 175.23 2jnk s VAL 21 N 1.45 5.15 -0.48 5.02 0.11 -1.26 -4.78 120.40 125.62 2jnk s VAL 21 Ca 0.04 0.62 -0.29 0.00 -2.93 0.00 0.00 61.98 59.42 2jnk s VAL 21 Cb -0.25 -3.63 0.02 0.00 -1.53 0.00 0.00 36.38 31.00 2jnk s VAL 21 CO 0.02 0.54 1.26 -1.83 -3.33 0.00 0.00 175.10 171.76 2jnk s GLU 22 N -1.21 3.61 0.00 1.54 -1.05 -1.26 -2.08 118.70 118.25 2jnk s GLU 22 Ca 0.23 0.63 0.00 0.00 -0.15 0.00 0.00 54.97 55.68 2jnk s GLU 22 Cb -0.15 -3.98 0.00 0.00 -0.44 0.00 0.00 34.13 29.56 2jnk s GLU 22 CO 0.12 -1.53 0.00 0.41 0.95 0.00 0.00 175.26 175.21 2jnk n GLY 23 N 4.99 0.82 0.00 -3.83 0.00 1.01 -4.79 105.19 103.40 2jnk n GLY 23 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.82 1.61 1.16 -1.24 -4.54 117.46 110.64 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 0.01 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 -0.04 -0.21 5.98 0.01 -1.03 -4.30 114.94 115.35 2jnk s ASN 25 Ca 0.00 -0.32 -0.37 0.00 -0.71 0.00 0.00 52.86 51.46 2jnk s ASN 25 Cb 0.00 0.28 -0.14 0.00 0.41 0.00 0.00 41.25 41.80 2jnk s ASN 25 CO 0.00 -0.54 1.84 0.55 -1.51 0.00 0.00 177.10 177.44 2jnk n VAL 26 N -0.67 0.42 0.00 1.60 3.14 -1.26 -0.14 118.33 121.42 2jnk n VAL 26 Ca -0.03 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 2jnk n VAL 26 Cb 0.60 -1.54 0.00 0.00 -1.06 0.00 0.00 33.84 31.85 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 4.46 2.52 2.96 7.55 0.00 -0.34 -5.01 105.19 117.32 2jnk n GLY 27 Ca 0.26 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.33 0.91 0.65 1.61 8.01 0.80 -4.21 118.70 126.14 2jnk s GLU 28 Ca 0.00 -0.22 0.00 0.00 0.01 0.00 0.00 54.97 54.76 2jnk s GLU 28 Cb 0.00 -0.86 0.09 0.00 -4.31 0.00 0.00 34.13 29.05 2jnk s GLU 28 CO 0.00 0.03 0.90 1.52 0.01 0.00 0.00 175.26 177.73 2jnk s TYR 29 N 0.46 2.08 -0.02 1.61 1.13 -0.88 -2.47 117.35 119.25 2jnk s TYR 29 Ca -0.07 -0.18 -0.01 0.00 -1.41 0.00 0.00 57.07 55.40 2jnk s TYR 29 Cb -0.11 -2.87 -0.00 0.00 -1.10 0.00 0.00 41.96 37.88 2jnk s TYR 29 CO 0.01 -1.37 0.07 1.25 -2.51 0.00 0.00 175.55 173.00 2jnk h HIS 30 N -0.27 -0.02 -1.35 -3.49 -0.00 -1.80 3.03 115.15 111.24 2jnk h HIS 30 Ca -0.38 -0.00 0.16 0.00 -0.00 0.00 0.00 60.37 60.14 2jnk h HIS 30 Cb 1.28 0.01 -0.25 0.00 -0.00 0.00 0.00 27.41 28.45 2jnk h HIS 30 CO 0.06 -0.01 0.73 0.21 -0.00 0.00 0.00 177.93 178.92 2jnk s LYS 31 N -1.32 0.36 0.00 5.26 2.20 -1.26 -4.44 119.74 120.53 2jnk s LYS 31 Ca -0.00 0.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.68 2jnk s LYS 31 Cb 0.00 0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.49 2jnk s LYS 31 CO 0.01 -0.11 0.00 0.41 -0.36 0.00 0.00 175.35 175.30 2jnk n GLY 32 N 0.60 3.32 0.22 5.54 0.00 -1.26 -4.93 105.19 108.68 2jnk n GLY 32 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.49 -0.14 4.61 0.00 -1.96 -3.30 119.26 117.97 2jnk h ALA 33 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2jnk h ALA 33 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2jnk h ALA 33 CO 0.00 -0.71 0.00 1.63 0.00 0.00 0.00 179.25 180.17 2jnk n LYS 34 N -5.25 0.00 -0.03 0.00 4.76 -1.26 -2.87 118.16 113.51 2jnk n LYS 34 Ca -0.10 0.93 -0.01 0.00 -2.87 0.00 0.00 58.31 56.26 2jnk n LYS 34 Cb 0.25 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 31.95 2jnk n LYS 34 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2jnk n ASP 35 N -2.82 -0.07 0.00 4.39 8.00 -1.25 -0.41 116.55 124.39 2jnk n ASP 35 Ca 0.00 0.74 0.00 0.00 0.71 0.00 0.00 54.79 56.24 2jnk n ASP 35 Cb 0.00 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 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 -1.02 -0.46 0.65 0.44 0.00 -1.14 0.41 105.19 104.08 2jnk n GLY 36 Ca 0.00 0.04 0.50 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.05 0.05 -0.00 0.99 7.94 -1.20 0.76 117.00 125.49 2jnk n LEU 37 Ca 0.00 1.07 -0.18 0.00 -1.11 0.00 0.00 56.01 55.79 2jnk n LEU 37 Cb 0.00 -0.53 -0.14 0.00 0.53 0.00 0.00 43.42 43.28 2jnk n LEU 37 CO 0.00 -1.10 0.09 0.74 -1.11 0.00 0.00 177.39 176.01 2jnk h THR 38 N 0.00 1.53 -0.89 1.96 2.02 0.23 -2.74 112.91 115.03 2jnk h THR 38 Ca 0.92 -2.44 0.24 0.00 0.77 0.00 0.00 66.41 65.90 2jnk h THR 38 Cb 3.52 3.17 -0.04 0.00 -1.74 0.00 0.00 68.15 73.06 2jnk h THR 38 CO -0.12 0.66 0.62 0.58 0.37 0.00 0.00 175.52 177.63 2jnk h VAL 39 N -0.62 0.59 0.03 3.16 2.07 1.44 1.62 116.25 124.54 2jnk h VAL 39 Ca -0.12 -0.04 -0.24 0.00 0.82 0.00 0.00 66.70 67.13 2jnk h VAL 39 Cb 1.41 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 2jnk h VAL 39 CO 0.07 0.02 -1.15 1.05 0.02 0.00 0.00 177.57 177.58 2jnk h GLU 40 N 0.11 0.07 0.45 1.57 -0.00 -1.34 -2.37 114.58 113.06 2jnk h GLU 40 Ca 0.43 -0.11 -0.02 0.00 -0.00 0.00 0.00 59.36 59.66 2jnk h GLU 40 Cb 1.55 0.04 0.00 0.00 -0.00 0.00 0.00 28.75 30.35 2jnk h GLU 40 CO -0.06 1.00 -0.22 0.82 -0.00 0.00 0.00 179.01 180.55 2jnk h ILE 41 N 0.02 0.22 -1.01 -1.06 1.08 0.21 3.66 117.51 120.62 2jnk h ILE 41 Ca -0.07 -0.57 0.24 0.00 -0.39 0.00 0.00 64.86 64.06 2jnk h ILE 41 Cb 1.85 0.33 -0.11 0.00 -3.07 0.00 0.00 36.82 35.82 2jnk h ILE 41 CO 0.14 0.05 0.62 0.78 -0.69 0.00 0.00 178.15 179.04 2jnk h ASN 42 N -1.08 0.64 1.21 1.72 2.35 0.12 0.38 115.58 120.91 2jnk h ASN 42 Ca -0.06 0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2jnk h ASN 42 Cb 0.54 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.93 2jnk h ASN 42 CO 0.10 0.13 -0.71 0.50 -1.65 0.00 0.00 177.43 175.80 2jnk h LYS 43 N 0.56 0.00 0.11 0.81 3.64 -1.29 -3.36 116.57 117.05 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 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2jnk h LYS 43 CO -0.42 0.00 -0.05 0.00 -2.27 0.00 0.00 179.45 176.71 2jnk h ALA 44 N 2.08 -0.16 -1.07 5.00 0.00 1.11 -3.32 119.26 122.90 2jnk h ALA 44 Ca 0.00 -0.03 0.29 0.00 0.00 0.00 0.00 54.91 55.17 2jnk h ALA 44 Cb 0.96 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.70 2jnk h ALA 44 CO 0.00 -0.15 0.67 0.93 0.00 0.00 0.00 179.25 180.70 2jnk h GLU 45 N -0.97 0.37 -0.04 0.00 5.08 -1.39 1.65 114.58 119.28 2jnk h GLU 45 Ca -0.02 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2jnk h GLU 45 Cb 0.12 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2jnk h GLU 45 CO 0.03 0.25 0.09 1.05 -1.00 0.00 0.00 179.01 179.42 2jnk h GLU 46 N 0.38 0.00 0.03 2.33 -0.00 -1.70 -1.18 114.58 114.44 2jnk h GLU 46 Ca 0.65 0.00 -0.37 0.00 -0.00 0.00 0.00 59.36 59.64 2jnk h GLU 46 Cb 1.61 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 30.31 2jnk h GLU 46 CO -0.39 0.00 -2.12 0.28 -0.00 0.00 0.00 179.01 176.78 2jnk n VAL 47 N -3.44 1.57 -0.19 -1.06 0.31 0.54 -3.27 118.33 112.80 2jnk n VAL 47 Ca -0.02 -0.40 -0.00 0.00 -0.01 0.00 0.00 64.34 63.90 2jnk n VAL 47 Cb 0.17 -1.77 0.08 0.00 -0.91 0.00 0.00 33.84 31.40 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 -0.53 -0.13 -0.24 3.52 3.57 -0.38 0.30 116.94 123.06 2jnk h PHE 48 Ca -0.54 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.01 2jnk h PHE 48 Cb 1.70 0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.59 2jnk h PHE 48 CO 0.02 -0.19 0.00 0.09 -2.23 0.00 0.00 178.31 176.00 2jnk n ASN 49 N -5.31 1.98 -4.90 0.41 3.02 -0.50 -4.89 115.26 105.07 2jnk n ASN 49 Ca 0.07 -1.80 -0.28 0.00 -0.03 0.00 0.00 54.58 52.54 2jnk n ASN 49 Cb 0.32 -0.15 0.07 0.00 -0.61 0.00 0.00 39.78 39.41 2jnk n ASN 49 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2jnk s LYS 50 N -1.69 2.28 -0.12 3.52 2.20 0.11 -5.01 119.74 121.03 2jnk s LYS 50 Ca 0.32 0.12 0.17 0.00 -0.36 0.00 0.00 55.97 56.21 2jnk s LYS 50 Cb 0.17 -2.03 -0.24 0.00 -1.51 0.00 0.00 37.83 34.23 2jnk s LYS 50 CO 0.25 -1.34 0.35 0.39 -0.36 0.00 0.00 175.35 174.64 2jnk n GLU 51 N -3.12 0.66 -0.28 4.03 1.02 -1.26 -3.97 120.64 117.72 2jnk n GLU 51 Ca 0.07 0.09 0.04 0.00 -0.02 0.00 0.00 57.16 57.34 2jnk n GLU 51 Cb 0.60 -1.63 0.15 0.00 -0.02 0.00 0.00 31.44 30.54 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 -2.81 2.38 -1.99 1.62 9.92 -1.26 -4.32 116.55 120.09 2jnk n ASP 52 Ca -0.24 -2.22 -0.09 0.00 -0.53 0.00 0.00 54.79 51.71 2jnk n ASP 52 Cb 1.05 -0.42 -0.13 0.00 -0.64 0.00 0.00 41.12 40.98 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 0.31 5.44 -1.82 2.24 0.00 -1.25 -2.83 120.51 122.59 2jnk n ALA 53 Ca 0.11 -1.38 0.00 0.00 0.00 0.00 0.00 53.44 52.17 2jnk n ALA 53 Cb 0.48 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.78 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 2.42 0.00 0.71 0.00 -2.24 -1.26 -4.13 114.28 109.78 2jnk n THR 54 Ca 0.32 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.23 2jnk n THR 54 Cb 0.76 0.00 0.35 0.00 -2.10 0.00 0.00 70.33 69.34 2jnk n THR 54 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jnk n GLU 55 N 0.00 0.20 0.00 -0.78 1.02 -1.26 -3.77 120.64 116.05 2jnk n GLU 55 Ca 0.00 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 2jnk n GLU 55 Cb 0.00 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.73 2jnk n GLU 55 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2jnk n GLU 56 N -2.01 0.00 -0.32 3.49 4.07 -1.26 -4.48 120.64 120.12 2jnk n GLU 56 Ca 0.05 0.06 0.06 0.00 -0.06 0.00 0.00 57.16 57.28 2jnk n GLU 56 Cb 0.41 -0.48 0.22 0.00 -0.06 0.00 0.00 31.44 31.53 2jnk n GLU 56 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 2jnk h GLU 57 N 0.00 0.81 0.43 5.31 4.57 -1.75 -3.09 114.58 120.85 2jnk h GLU 57 Ca 0.00 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 2jnk h GLU 57 Cb 0.00 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.39 2jnk h GLU 57 CO 0.00 0.53 -0.41 0.82 -1.18 0.00 0.00 179.01 178.77 2jnk h ILE 58 N 0.83 0.00 -1.28 2.32 2.04 -1.74 0.16 117.51 119.84 2jnk h ILE 58 Ca 0.46 0.00 0.37 0.00 1.00 0.00 0.00 64.86 66.70 2jnk h ILE 58 Cb 0.51 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.51 2jnk h ILE 58 CO -0.29 0.00 0.88 0.78 0.00 0.00 0.00 178.15 179.52 2jnk h ASN 59 N -0.83 0.17 0.79 1.72 2.35 -1.76 2.04 115.58 120.07 2jnk h ASN 59 Ca -0.05 0.05 -0.20 0.00 -0.55 0.00 0.00 56.30 55.54 2jnk h ASN 59 Cb 0.72 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.10 2jnk h ASN 59 CO -0.04 -0.02 -0.95 -0.07 -1.65 0.00 0.00 177.43 174.70 2jnk h LEU 60 N 0.12 0.12 0.00 1.61 3.38 -1.26 -3.23 115.31 116.05 2jnk h LEU 60 Ca 0.68 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.54 2jnk h LEU 60 Cb 2.33 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 43.04 2jnk h LEU 60 CO -0.18 1.00 -1.13 0.00 0.09 0.00 0.00 178.44 178.22 2jnk n ALA 61 N -2.41 3.73 0.03 1.53 0.00 0.40 -4.49 120.51 119.31 2jnk n ALA 61 Ca -0.02 -0.48 -0.03 0.00 0.00 0.00 0.00 53.44 52.92 2jnk n ALA 61 Cb 0.87 -0.89 -0.01 0.00 0.00 0.00 0.00 19.45 19.42 2jnk n ALA 61 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2jnk h LYS 62 N 0.00 -0.16 -0.79 0.00 1.57 0.26 -3.21 116.57 114.25 2jnk h LYS 62 Ca 0.00 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.90 2jnk h LYS 62 Cb 0.69 0.04 -0.13 0.00 0.08 0.00 0.00 32.23 32.90 2jnk h LYS 62 CO 0.00 -0.11 -0.44 1.49 -0.57 0.00 0.00 179.45 179.83 2jnk h GLU 63 N -0.83 -0.10 0.00 3.15 4.81 -1.78 1.11 114.58 120.93 2jnk h GLU 63 Ca -0.02 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2jnk h GLU 63 Cb 0.13 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2jnk h GLU 63 CO 0.03 -0.07 0.00 -1.13 -0.73 0.00 0.00 179.01 177.11 2jnk n SER 64 N -5.40 0.26 -0.10 1.04 3.41 -1.26 -0.35 113.62 111.21 2jnk n SER 64 Ca 0.05 0.59 -0.24 0.00 -0.26 0.00 0.00 58.87 59.01 2jnk n SER 64 Cb 0.35 -0.63 -0.11 0.00 -0.26 0.00 0.00 64.21 63.56 2jnk n SER 64 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2jnk n LEU 65 N -1.81 2.01 0.06 1.04 7.94 0.36 -3.48 117.00 123.12 2jnk n LEU 65 Ca 0.01 0.35 -0.21 0.00 -1.11 0.00 0.00 56.01 55.06 2jnk n LEU 65 Cb 0.11 -0.94 -0.14 0.00 0.53 0.00 0.00 43.42 42.98 2jnk n LEU 65 CO 0.10 0.45 0.03 1.05 -1.11 0.00 0.00 177.39 177.91 2jnk h GLU 66 N -0.85 0.39 0.00 1.96 -0.00 -0.67 -2.68 114.58 112.72 2jnk h GLU 66 Ca -0.47 -0.60 0.00 0.00 -0.00 0.00 0.00 59.36 58.30 2jnk h GLU 66 Cb 1.49 0.21 0.00 0.00 -0.00 0.00 0.00 28.75 30.45 2jnk h GLU 66 CO -0.24 1.26 0.00 0.41 -0.00 0.00 0.00 179.01 180.45 2jnk n GLY 67 N 1.54 -1.24 0.13 1.06 0.00 0.53 -2.66 105.19 104.55 2jnk n GLY 67 Ca -0.14 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.40 1.17 -0.24 4.61 0.00 -1.23 -3.80 120.51 119.63 2jnk n ALA 68 Ca 0.09 -0.90 -0.06 0.00 0.00 0.00 0.00 53.44 52.57 2jnk n ALA 68 Cb 0.25 -0.27 0.04 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.27 1.23 -0.25 0.00 3.07 -1.52 -0.15 117.51 119.62 2jnk h ILE 69 Ca -0.54 -0.65 0.07 0.00 1.55 0.00 0.00 64.86 65.30 2jnk h ILE 69 Cb 1.82 0.41 -0.01 0.00 -0.27 0.00 0.00 36.82 38.78 2jnk h ILE 69 CO -0.11 0.27 0.23 0.00 -1.05 0.00 0.00 178.15 177.49 2jnk h ALA 70 N 1.15 1.98 0.15 0.16 0.00 -1.69 0.15 119.26 121.16 2jnk h ALA 70 Ca 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2jnk h ALA 70 Cb 0.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jnk h ALA 70 CO -0.03 -0.36 -0.07 0.00 0.00 0.00 0.00 179.25 178.78 2jnk h ARG 71 N 0.00 -0.20 -0.62 0.00 2.47 -1.14 -3.35 114.38 111.53 2jnk h ARG 71 Ca 0.12 0.01 0.11 0.00 -1.26 0.00 0.00 59.98 58.97 2jnk h ARG 71 Cb 0.59 0.05 -0.08 0.00 -1.65 0.00 0.00 29.97 28.87 2jnk h ARG 71 CO -0.00 -0.11 0.17 0.35 0.56 0.00 0.00 179.97 180.94 2jnk h PHE 72 N -1.05 0.28 -1.03 3.04 3.04 -0.98 -1.81 116.94 118.44 2jnk h PHE 72 Ca -0.02 0.03 0.40 0.00 3.98 0.00 0.00 57.97 62.37 2jnk h PHE 72 Cb 0.18 -0.03 -0.16 0.00 2.56 0.00 0.00 35.95 38.51 2jnk h PHE 72 CO 0.01 0.00 0.59 0.09 -2.02 0.00 0.00 178.31 176.98 2jnk n ASN 73 N -5.09 0.29 -2.37 0.41 3.02 0.00 0.12 115.26 111.65 2jnk n ASN 73 Ca 0.10 1.47 -0.32 0.00 -0.03 0.00 0.00 54.58 55.79 2jnk n ASN 73 Cb 0.33 -0.72 0.05 0.00 -0.61 0.00 0.00 39.78 38.83 2jnk n ASN 73 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2jnk n SER 74 N -4.94 6.63 0.00 6.41 3.41 -0.68 -4.45 113.62 119.99 2jnk n SER 74 Ca 0.36 -3.78 0.00 0.00 -0.26 0.00 0.00 58.87 55.19 2jnk n SER 74 Cb 1.27 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 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 -0.75 0.00 -2.08 1.04 4.32 0.32 -3.55 117.00 116.31 2jnk n LEU 75 Ca 0.54 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 56.39 2jnk n LEU 75 Cb 0.67 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 42.31 2jnk n LEU 75 CO 0.59 0.00 1.70 0.00 -1.22 0.00 0.00 177.39 178.46 2jnk n LEU 76 N -1.55 5.45 -3.58 2.23 -0.00 -1.24 -4.03 117.00 114.27 2jnk n LEU 76 Ca 0.00 -3.27 -0.27 0.00 -0.00 0.00 0.00 56.01 52.47 2jnk n LEU 76 Cb 0.22 -1.42 0.05 0.00 -0.00 0.00 0.00 43.42 42.27 2jnk n LEU 76 CO 0.00 1.72 -0.05 -0.38 -0.00 0.00 0.00 177.39 178.68 2jnk n ILE 77 N 2.49 -6.58 0.00 1.47 2.08 -1.18 -1.19 119.36 116.45 2jnk n ILE 77 Ca 0.45 -1.03 0.00 0.00 0.56 0.00 0.00 62.75 62.72 2jnk n ILE 77 Cb 0.88 -4.83 0.00 0.00 -0.75 0.00 0.00 39.64 34.93 2jnk n ILE 77 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 2jnk n GLU 78 N -3.96 0.00 -0.07 0.38 0.00 -1.19 -4.02 120.64 111.77 2jnk n GLU 78 Ca -0.10 0.00 0.18 0.00 0.00 0.00 0.00 57.16 57.24 2jnk n GLU 78 Cb 0.60 0.00 0.27 0.00 0.00 0.00 0.00 31.44 32.32 2jnk n GLU 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2jnk n GLU 79 N 0.00 0.02 -2.71 5.31 1.02 -1.26 -0.40 120.64 122.61 2jnk n GLU 79 Ca 0.00 0.84 -0.06 0.00 -0.02 0.00 0.00 57.16 57.92 2jnk n GLU 79 Cb 0.00 -2.12 0.07 0.00 -0.02 0.00 0.00 31.44 29.36 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 -2.74 0.43 0.03 1.62 7.64 -1.26 -4.90 113.62 114.44 2jnk n SER 80 Ca 0.15 -2.43 0.11 0.00 1.01 0.00 0.00 58.87 57.71 2jnk n SER 80 Cb 1.18 -0.05 0.03 0.00 -1.01 0.00 0.00 64.21 64.36 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 -0.48 0.19 -0.24 0.44 5.66 0.47 -4.22 114.28 116.09 2jnk n THR 81 Ca 0.03 -0.25 0.32 0.00 -3.05 0.00 0.00 64.05 61.10 2jnk n THR 81 Cb 0.83 0.17 0.71 0.00 -1.55 0.00 0.00 70.33 70.49 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 4.52 0.00 -7.46 1.09 0.00 -1.90 -3.24 103.07 96.08 2jnk h GLY 82 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.65 2jnk h GLY 82 CO 0.00 0.00 2.36 1.22 0.00 0.00 0.00 176.54 180.12 2jnk n ASP 83 N -3.93 4.65 -0.02 0.19 8.00 -1.26 -4.53 116.55 119.65 2jnk n ASP 83 Ca 0.22 -2.90 -0.13 0.00 0.71 0.00 0.00 54.79 52.70 2jnk n ASP 83 Cb 1.20 -1.73 -0.10 0.00 -0.02 0.00 0.00 41.12 40.47 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 7.32 0.05 0.00 1.24 0.04 -1.80 -3.01 116.94 120.78 2jnk h PHE 84 Ca 0.47 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.22 2jnk h PHE 84 Cb 0.82 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.96 2jnk h PHE 84 CO 1.43 0.57 0.00 -0.91 -0.60 0.00 0.00 178.31 178.80 2jnk h ASN 85 N -0.48 0.00 0.00 2.17 2.35 -1.85 -3.43 115.58 114.33 2jnk h ASN 85 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2jnk h ASN 85 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 2jnk h ASN 85 CO 0.01 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.40 2jnk n GLY 86 N -1.12 1.01 0.08 2.83 0.00 -1.14 -4.81 105.19 102.04 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 0.54 0.00 1.61 6.94 -1.26 -5.01 115.26 118.08 2jnk n ASN 87 Ca 0.00 0.24 0.00 0.00 -0.02 0.00 0.00 54.58 54.80 2jnk n ASN 87 Cb 0.00 0.68 0.00 0.00 -2.36 0.00 0.00 39.78 38.10 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 1.42 0.66 3.60 4.83 0.00 -1.26 -5.15 105.19 109.29 2jnk n GLY 88 Ca -0.12 -0.65 -0.05 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.69 0.61 -0.39 1.61 0.00 -1.26 -5.09 119.74 114.52 2jnk s LYS 89 Ca 0.00 1.30 0.02 0.00 0.00 0.00 0.00 55.97 57.29 2jnk s LYS 89 Cb 0.00 0.48 0.11 0.00 0.00 0.00 0.00 37.83 38.42 2jnk s LYS 89 CO 0.00 -0.18 0.13 0.42 0.00 0.00 0.00 175.35 175.72 2jnk s ILE 90 N 2.27 2.61 0.14 3.79 -1.09 -1.26 -4.57 121.20 123.09 2jnk s ILE 90 Ca -0.08 -2.46 0.00 0.00 -2.23 0.00 0.00 60.65 55.88 2jnk s ILE 90 Cb -0.09 -2.86 0.00 0.00 -1.58 0.00 0.00 42.46 37.93 2jnk s ILE 90 CO -0.19 -0.66 0.00 0.47 -1.23 0.00 0.00 174.94 173.33 2jnk n ASP 91 N 4.12 -1.28 0.05 3.58 8.00 -1.26 -4.87 116.55 124.88 2jnk n ASP 91 Ca 0.03 0.55 0.04 0.00 0.71 0.00 0.00 54.79 56.12 2jnk n ASP 91 Cb 0.40 1.48 -0.06 0.00 -0.02 0.00 0.00 41.12 42.92 2jnk n ASP 91 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jnk n ILE 92 N -2.95 0.95 0.19 0.53 0.13 -1.26 -3.92 119.36 113.03 2jnk n ILE 92 Ca 0.00 -0.64 0.02 0.00 -1.10 0.00 0.00 62.75 61.03 2jnk n ILE 92 Cb 0.00 -0.56 0.11 0.00 -0.84 0.00 0.00 39.64 38.35 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 1.33 -0.53 0.08 4.50 0.00 -1.26 -2.51 105.19 106.79 2jnk n GLY 93 Ca -0.07 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 2jnk n GLY 93 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2jnk h ASP 94 N 0.00 0.00 -0.59 1.61 3.58 -1.94 -0.62 116.42 118.46 2jnk h ASP 94 Ca 0.00 -0.71 -0.30 0.00 0.42 0.00 0.00 57.03 56.44 2jnk h ASP 94 Cb 0.06 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 40.93 2jnk h ASP 94 CO 0.00 1.17 0.38 0.18 -2.88 0.00 0.00 179.24 178.10 2jnk n LEU 95 N -4.54 5.20 0.00 2.28 7.99 -1.04 -3.11 117.00 123.78 2jnk n LEU 95 Ca -0.19 -2.74 0.00 0.00 -0.01 0.00 0.00 56.01 53.08 2jnk n LEU 95 Cb 0.53 -0.70 0.00 0.00 -0.11 0.00 0.00 43.42 43.14 2jnk n LEU 95 CO 0.25 0.82 0.00 0.00 -1.51 0.00 0.00 177.39 176.95 2jnk n ALA 96 N -0.46 0.00 -0.47 -1.18 0.00 -1.14 -4.95 120.51 112.31 2jnk n ALA 96 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2jnk n ALA 96 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.64 2jnk n ALA 96 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2jnk n MET 97 N -0.65 0.00 0.16 0.00 1.56 -0.55 -4.28 117.12 113.37 2jnk n MET 97 Ca 0.00 0.13 -0.13 0.00 -0.27 0.00 0.00 57.70 57.43 2jnk n MET 97 Cb 0.00 -0.51 -0.08 0.00 2.15 0.00 0.00 33.22 34.79 2jnk n MET 97 CO 0.00 0.00 0.00 -0.24 -0.73 0.00 0.00 175.97 175.00 2jnk h VAL 98 N 0.00 0.60 0.00 1.12 3.04 -1.35 -3.15 116.25 116.51 2jnk h VAL 98 Ca 0.00 -0.66 0.00 0.00 -1.01 0.00 0.00 66.70 65.03 2jnk h VAL 98 Cb 0.00 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 30.18 2jnk h VAL 98 CO 0.00 0.11 0.00 -1.54 -1.01 0.00 0.00 177.57 175.13 2jnk n SER 99 N -5.12 0.00 -0.21 3.17 3.41 -1.18 -2.86 113.62 110.83 2jnk n SER 99 Ca -0.09 0.22 -0.09 0.00 -0.26 0.00 0.00 58.87 58.65 2jnk n SER 99 Cb 0.27 -0.29 0.02 0.00 -0.26 0.00 0.00 64.21 63.95 2jnk n SER 99 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 2jnk h LYS 100 N 0.00 0.99 0.01 4.33 5.09 -1.73 -3.33 116.57 121.94 2jnk h LYS 100 Ca 0.00 -0.27 -0.31 0.00 0.09 0.00 0.00 60.65 60.16 2jnk h LYS 100 Cb 0.05 -0.11 -0.04 0.00 0.10 0.00 0.00 32.23 32.22 2jnk h LYS 100 CO 0.00 0.93 -1.71 0.27 -2.09 0.00 0.00 179.45 176.85 2jnk n ASN 101 N -4.30 1.92 -2.91 7.07 0.23 -1.14 -5.06 115.26 111.06 2jnk n ASN 101 Ca 0.03 0.35 -0.02 0.00 -0.53 0.00 0.00 54.58 54.41 2jnk n ASN 101 Cb 0.28 -0.90 -0.02 0.00 -2.08 0.00 0.00 39.78 37.06 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 -4.23 -5.24 -0.38 1.53 2.08 -1.21 -4.44 119.36 107.47 2jnk n ILE 102 Ca -0.38 1.00 0.00 0.00 0.56 0.00 0.00 62.75 63.92 2jnk n ILE 102 Cb 0.79 -3.95 0.00 0.00 -0.75 0.00 0.00 39.64 35.73 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 2.23 0.89 3.50 7.39 0.00 0.50 -4.68 105.19 115.03 2jnk n GLY 103 Ca -0.15 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 2jnk n GLY 103 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jnk s SER 104 N -2.33 6.01 0.43 1.61 0.01 -1.26 -4.65 113.70 113.51 2jnk s SER 104 Ca 0.00 -0.57 0.30 0.00 1.31 0.00 0.00 55.95 56.99 2jnk s SER 104 Cb 0.00 -2.12 1.37 0.00 0.21 0.00 0.00 66.02 65.47 2jnk s SER 104 CO 0.00 -0.29 1.89 0.71 0.41 0.00 0.00 173.24 175.97 2jnk h THR 105 N 5.56 0.00 0.00 1.44 1.35 -1.88 -2.03 112.91 117.35 2jnk h THR 105 Ca -0.30 -0.24 -0.10 0.00 -0.55 0.00 0.00 66.41 65.22 2jnk h THR 105 Cb 1.15 1.06 -0.02 0.00 -1.73 0.00 0.00 68.15 68.61 2jnk h THR 105 CO 0.66 0.00 -1.11 0.71 -0.25 0.00 0.00 175.52 175.52 2jnk h THR 106 N 0.00 0.35 -0.83 6.82 1.35 -1.92 -3.33 112.91 115.36 2jnk h THR 106 Ca 0.00 -1.65 -0.41 0.00 -0.55 0.00 0.00 66.41 63.80 2jnk h THR 106 Cb 0.29 1.90 -0.25 0.00 -1.73 0.00 0.00 68.15 68.36 2jnk h THR 106 CO 0.00 0.20 0.53 -3.20 -0.25 0.00 0.00 175.52 172.80 2jnk n ASN 107 N -2.87 3.74 0.00 5.36 4.05 -0.76 -4.39 115.26 120.38 2jnk n ASN 107 Ca -0.05 -3.34 0.10 0.00 0.45 0.00 0.00 54.58 51.75 2jnk n ASN 107 Cb 0.72 -0.78 0.46 0.00 1.23 0.00 0.00 39.78 41.41 2jnk n ASN 107 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 2jnk n THR 108 N -0.81 0.54 0.32 -0.44 -1.04 -1.22 -3.32 114.28 108.31 2jnk n THR 108 Ca 0.49 0.13 0.19 0.00 -2.04 0.00 0.00 64.05 62.83 2jnk n THR 108 Cb 1.48 -0.79 1.00 0.00 -1.82 0.00 0.00 70.33 70.21 2jnk n THR 108 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2jnk h SER 109 N 0.00 0.00 -0.90 8.00 4.64 -1.91 -2.75 113.55 120.63 2jnk h SER 109 Ca 0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 2jnk h SER 109 Cb 0.31 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.00 2jnk h SER 109 CO 0.00 0.00 -1.11 0.00 -0.87 0.00 0.00 176.83 174.85 2jnk n LEU 110 N -3.07 2.03 -4.24 5.97 -0.00 -1.21 -4.96 117.00 111.52 2jnk n LEU 110 Ca -0.02 -3.76 -0.36 0.00 -0.00 0.00 0.00 56.01 51.86 2jnk n LEU 110 Cb 0.24 0.30 -0.13 0.00 -0.00 0.00 0.00 43.42 43.83 2jnk n LEU 110 CO 0.18 1.53 -0.31 -0.62 -0.00 0.00 0.00 177.39 178.17 2jnk s ASP 111 N -3.37 5.05 0.56 1.45 -1.08 -1.04 -4.81 116.67 113.43 2jnk s ASP 111 Ca 0.31 -1.10 0.43 0.00 -0.52 0.00 0.00 52.55 51.67 2jnk s ASP 111 Cb 0.41 -1.80 1.57 0.00 -1.46 0.00 0.00 42.92 41.65 2jnk s ASP 111 CO -0.01 -0.27 1.59 -0.07 0.52 0.00 0.00 175.17 176.94 2jnk h LEU 112 N 8.13 0.00 0.07 -1.34 3.38 -1.81 1.16 115.31 124.91 2jnk h LEU 112 Ca -0.25 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.36 2jnk h LEU 112 Cb 1.08 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 2jnk h LEU 112 CO 0.58 0.00 -2.12 0.59 0.09 0.00 0.00 178.44 177.57 2jnk n ASN 113 N -3.87 1.88 -1.95 -0.43 4.13 -1.25 -3.13 115.26 110.63 2jnk n ASN 113 Ca 0.36 0.12 -0.18 0.00 1.68 0.00 0.00 54.58 56.57 2jnk n ASN 113 Cb 1.73 -0.58 -0.01 0.00 -1.54 0.00 0.00 39.78 39.38 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 -3.35 -1.40 0.00 3.52 5.02 0.40 -3.60 118.16 118.76 2jnk n LYS 114 Ca -0.34 0.88 0.16 0.00 -2.02 0.00 0.00 58.31 56.99 2jnk n LYS 114 Cb 1.04 -5.35 0.93 0.00 -0.02 0.00 0.00 35.03 31.63 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 -1.33 0.00 -0.13 4.39 -0.08 -1.26 -4.86 116.55 113.28 2jnk n ASP 115 Ca -0.21 -0.95 0.00 0.00 -1.51 0.00 0.00 54.79 52.13 2jnk n ASP 115 Cb 0.65 -0.01 0.00 0.00 2.34 0.00 0.00 41.12 44.10 2jnk n ASP 115 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jnk n GLY 116 N 0.98 1.02 3.17 0.27 0.00 -1.26 -5.04 105.19 104.33 2jnk n GLY 116 Ca 0.23 -0.46 0.05 0.00 0.00 0.00 0.00 46.02 45.84 2jnk n GLY 116 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jnk s SER 117 N -2.58 -0.19 -0.36 1.61 0.01 -1.24 -2.48 113.70 108.47 2jnk s SER 117 Ca 0.00 0.16 -0.28 0.00 1.31 0.00 0.00 55.95 57.14 2jnk s SER 117 Cb 0.00 1.17 -0.03 0.00 0.21 0.00 0.00 66.02 67.37 2jnk s SER 117 CO 0.00 -0.04 1.97 -0.63 0.41 0.00 0.00 173.24 174.95 2jnk s ILE 118 N 2.72 3.30 0.00 1.44 -1.09 -1.26 -4.33 121.20 121.98 2jnk s ILE 118 Ca -0.05 0.28 0.00 0.00 -2.23 0.00 0.00 60.65 58.65 2jnk s ILE 118 Cb -0.07 -3.47 0.00 0.00 -1.58 0.00 0.00 42.46 37.34 2jnk s ILE 118 CO -0.11 -0.34 0.00 0.47 -1.23 0.00 0.00 174.94 173.73 2jnk n ASP 119 N 11.57 0.49 0.27 3.58 8.00 -1.26 0.19 116.55 139.39 2jnk n ASP 119 Ca 0.26 0.00 0.18 0.00 0.71 0.00 0.00 54.79 55.94 2jnk n ASP 119 Cb 0.48 0.00 0.97 0.00 -0.02 0.00 0.00 41.12 42.55 2jnk n ASP 119 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2jnk h GLU 120 N 0.00 0.00 0.00 -1.24 4.11 -2.01 -1.62 114.58 113.82 2jnk h GLU 120 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 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 -0.15 1.88 0.07 0.00 0.00 179.01 180.81 2jnk h TYR 121 N 0.00 0.00 0.00 2.06 0.05 -1.94 -3.28 116.97 113.86 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 0.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.75 2jnk h TYR 121 CO 0.00 0.15 -0.53 -0.85 -1.05 0.00 0.00 178.16 175.88 2jnk n GLU 122 N -3.15 0.25 0.02 4.88 -0.00 -0.61 -3.84 120.64 118.19 2jnk n GLU 122 Ca 0.03 0.09 0.11 0.00 -0.00 0.00 0.00 57.16 57.39 2jnk n GLU 122 Cb 0.57 -1.67 -0.05 0.00 -0.00 0.00 0.00 31.44 30.28 2jnk n GLU 122 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 2jnk n ILE 123 N -2.04 0.15 -0.04 3.84 -0.00 -1.24 -4.33 119.36 115.69 2jnk n ILE 123 Ca 0.04 -0.31 0.24 0.00 -0.00 0.00 0.00 62.75 62.72 2jnk n ILE 123 Cb 0.42 0.20 0.65 0.00 -0.00 0.00 0.00 39.64 40.92 2jnk n ILE 123 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 2jnk h SER 124 N 0.00 0.00 0.00 7.28 4.64 -1.66 1.07 113.55 124.88 2jnk h SER 124 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jnk h SER 124 Cb 0.80 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.89 2jnk h SER 124 CO 0.00 0.00 -0.37 0.15 -0.87 0.00 0.00 176.83 175.74 2jnk h PHE 125 N 0.00 0.00 0.00 4.77 3.04 -1.75 -3.38 116.94 119.62 2jnk h PHE 125 Ca 0.32 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.27 2jnk h PHE 125 Cb 1.78 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.29 2jnk h PHE 125 CO 0.00 0.03 0.00 0.44 -2.02 0.00 0.00 178.31 176.76 2jnk n ILE 126 N -4.66 0.54 0.01 1.41 -0.00 -0.95 -3.16 119.36 112.55 2jnk n ILE 126 Ca -0.05 0.14 -0.02 0.00 -0.00 0.00 0.00 62.75 62.81 2jnk n ILE 126 Cb 0.20 -0.81 -0.02 0.00 -0.00 0.00 0.00 39.64 39.01 2jnk n ILE 126 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.55 175.42 2jnk h ASN 127 N 0.00 -0.25 0.62 7.28 -0.00 0.10 -3.23 115.58 120.10 2jnk h ASN 127 Ca 0.00 0.03 -0.08 0.00 -0.00 0.00 0.00 56.30 56.25 2jnk h ASN 127 Cb 0.25 0.10 -0.01 0.00 -0.00 0.00 0.00 38.32 38.65 2jnk h ASN 127 CO 0.00 -0.08 -1.44 1.41 -0.00 0.00 0.00 177.43 177.31 2jnk n HIS 128 N -2.95 0.69 -0.34 0.67 8.25 -1.26 -3.88 115.22 116.41 2jnk n HIS 128 Ca -0.01 0.21 0.33 0.00 -0.26 0.00 0.00 57.72 57.99 2jnk n HIS 128 Cb 0.06 -0.90 0.68 0.00 1.12 0.00 0.00 29.99 30.96 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 0.00 0.10 0.02 -0.41 2.47 -1.60 0.84 114.38 115.80 2jnk h ARG 129 Ca -0.09 -0.01 -0.33 0.00 -1.26 0.00 0.00 59.98 58.30 2jnk h ARG 129 Cb 1.26 -0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 29.51 2jnk h ARG 129 CO 0.02 0.07 -1.81 -0.89 0.56 0.00 0.00 179.97 177.92 2jnk n ILE 130 N -4.32 1.56 0.17 2.04 -0.00 -1.22 -4.27 119.36 113.33 2jnk n ILE 130 Ca 0.27 -0.25 0.11 0.00 -0.00 0.00 0.00 62.75 62.87 2jnk n ILE 130 Cb 1.18 -1.91 0.63 0.00 -0.00 0.00 0.00 39.64 39.54 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 -0.79 0.05 -1.74 1.39 3.38 -1.44 -0.65 115.31 115.51 2jnk h LEU 131 Ca -0.48 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 2jnk h LEU 131 Cb 1.53 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 2jnk h LEU 131 CO -0.23 0.03 -0.00 0.78 0.09 0.00 0.00 178.44 179.11 2jnk h ASN 132 N 0.05 0.14 -1.84 -0.43 2.35 0.50 -3.19 115.58 113.16 2jnk h ASN 132 Ca 0.08 -0.01 -0.49 0.00 -0.55 0.00 0.00 56.30 55.33 2jnk h ASN 132 Cb 0.25 -0.03 -0.41 0.00 0.05 0.00 0.00 38.32 38.18 2jnk h ASN 132 CO -0.01 0.17 -1.05 0.00 -1.65 0.00 0.00 177.43 174.90 2jnk n LEU 133 N -4.44 2.01 -0.01 1.61 -0.00 -0.31 -4.94 117.00 110.91 2jnk n LEU 133 Ca -0.01 -4.92 -0.00 0.00 -0.00 0.00 0.00 56.01 51.07 2jnk n LEU 133 Cb 0.15 0.31 -0.00 0.00 -0.00 0.00 0.00 43.42 43.87 2jnk n LEU 133 CO 0.35 2.16 -0.02 -0.08 -0.00 0.00 0.00 177.39 179.81 2jnk h GLU 134 N 2.96 0.00 -0.55 1.47 4.81 -1.39 -3.48 114.58 118.40 2jnk h GLU 134 Ca 0.08 0.00 0.23 0.00 -0.13 0.00 0.00 59.36 59.54 2jnk h GLU 134 Cb 0.91 0.00 -0.29 0.00 0.63 0.00 0.00 28.75 30.00 2jnk h GLU 134 CO 0.59 0.00 0.55 -1.58 -0.73 0.00 0.00 179.01 177.84 2jnk s HIS 135 N -1.18 -0.17 -0.29 0.92 5.04 -1.26 -5.10 115.29 113.24 2jnk s HIS 135 Ca -0.01 0.31 -0.15 0.00 -1.54 0.00 0.00 55.06 53.67 2jnk s HIS 135 Cb 0.00 0.10 0.15 0.00 0.04 0.00 0.00 32.58 32.88 2jnk s HIS 135 CO 0.01 -0.09 0.97 -1.58 -2.34 0.00 0.00 174.74 171.71 2jnk s HIS 136 N 1.80 -0.64 -0.30 3.88 2.46 -1.26 -5.17 115.29 116.06 2jnk s HIS 136 Ca -0.03 1.20 -0.21 0.00 0.47 0.00 0.00 55.06 56.49 2jnk s HIS 136 Cb -0.02 0.38 0.19 0.00 -0.13 0.00 0.00 32.58 33.00 2jnk s HIS 136 CO -0.15 -0.32 1.30 -3.38 -2.47 0.00 0.00 174.74 169.73 2jnk s HIS 137 N 1.81 -0.15 0.28 3.88 -3.43 -1.26 -5.19 115.29 111.23 2jnk s HIS 137 Ca -0.07 0.33 0.03 0.00 -0.80 0.00 0.00 55.06 54.55 2jnk s HIS 137 Cb -0.05 0.31 -0.06 0.00 -1.43 0.00 0.00 32.58 31.35 2jnk s HIS 137 CO -0.16 -0.07 0.05 -3.38 -2.00 0.00 0.00 174.74 169.18 2jnk s HIS 138 N 0.52 1.74 -0.04 0.38 -3.43 -1.26 -5.10 115.29 108.09 2jnk s HIS 138 Ca 0.00 -1.01 -0.06 0.00 -0.80 0.00 0.00 55.06 53.20 2jnk s HIS 138 Cb -0.04 -1.07 -0.02 0.00 -1.43 0.00 0.00 32.58 30.02 2jnk s HIS 138 CO -0.13 -0.10 -0.12 1.58 -2.00 0.00 0.00 174.74 173.98 2jnk n HIS 139 N -0.55 0.00 -0.56 0.38 -0.00 -1.26 -5.38 115.22 107.84 2jnk n HIS 139 Ca -0.02 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.16 2jnk n HIS 139 Cb 0.66 -0.17 0.00 0.00 -0.12 0.00 0.00 29.99 30.36 2jnk n HIS 139 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52