#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jk2 s LYS 5 N 0.00 4.29 0.11 5.56 2.20 -1.26 -4.95 119.74 125.70 2jk2 s LYS 5 Ca 0.00 2.11 -0.35 0.00 -0.36 0.00 0.00 55.97 57.37 2jk2 s LYS 5 Cb 0.00 -3.31 -0.15 0.00 -1.51 0.00 0.00 37.83 32.86 2jk2 s LYS 5 CO 0.00 -0.50 1.50 0.34 -0.36 0.00 0.00 175.35 176.33 2jk2 n PHE 6 N 4.27 1.98 -4.07 4.03 7.35 -1.21 -4.81 117.46 124.99 2jk2 n PHE 6 Ca 0.12 0.41 -0.30 0.00 -0.76 0.00 0.00 57.45 56.92 2jk2 n PHE 6 Cb 0.42 -2.46 -0.16 0.00 0.35 0.00 0.00 39.48 37.62 2jk2 n PHE 6 CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 2jk2 s PHE 7 N 0.93 2.14 -0.23 -5.13 5.36 -0.54 -0.37 117.98 120.14 2jk2 s PHE 7 Ca 0.82 -1.18 0.02 0.00 -0.96 0.00 0.00 56.93 55.63 2jk2 s PHE 7 Cb -0.80 -1.57 0.05 0.00 -0.34 0.00 0.00 43.02 40.37 2jk2 s PHE 7 CO 0.42 -0.64 -0.10 0.08 -1.46 0.00 0.00 175.22 173.52 2jk2 s VAL 8 N 1.43 1.81 -0.10 3.12 1.01 0.12 -0.89 120.40 126.90 2jk2 s VAL 8 Ca 0.04 -1.27 -0.01 0.00 0.00 0.00 0.00 61.98 60.74 2jk2 s VAL 8 Cb -0.13 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 2jk2 s VAL 8 CO -0.10 0.05 -0.03 -0.83 0.00 0.00 0.00 175.10 174.19 2jk2 s GLY 9 N 1.29 1.76 -0.29 4.51 0.00 0.14 -1.35 107.32 113.39 2jk2 s GLY 9 Ca -0.05 -0.84 -0.05 0.00 0.00 0.00 0.00 44.72 43.78 2jk2 s GLY 9 CO -0.07 -0.48 0.04 -0.32 0.00 0.00 0.00 173.10 172.27 2jk2 s GLY 10 N -0.54 1.74 -0.50 0.20 0.00 0.99 0.02 107.32 109.24 2jk2 s GLY 10 Ca 0.09 -1.51 -0.20 0.00 0.00 0.00 0.00 44.72 43.10 2jk2 s GLY 10 CO 0.02 0.63 0.65 0.21 0.00 0.00 0.00 173.10 174.61 2jk2 s ASN 11 N 1.42 6.25 0.14 1.64 2.47 0.98 -0.36 114.94 127.49 2jk2 s ASN 11 Ca 0.01 -0.77 0.23 0.00 0.42 0.00 0.00 52.86 52.75 2jk2 s ASN 11 Cb -0.17 -2.30 0.90 0.00 -1.45 0.00 0.00 41.25 38.22 2jk2 s ASN 11 CO 0.00 -0.90 1.71 0.79 -3.72 0.00 0.00 177.10 174.99 2jk2 n TRP 12 N 6.28 0.52 -2.64 0.43 8.01 -0.64 -4.53 117.44 124.87 2jk2 n TRP 12 Ca -0.05 0.18 0.00 0.00 -1.31 0.00 0.00 57.50 56.32 2jk2 n TRP 12 Cb 0.46 -0.79 0.00 0.00 -2.01 0.00 0.00 31.31 28.97 2jk2 n TRP 12 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 2jk2 n LYS 13 N -1.95 0.00 -2.53 -0.99 5.02 -1.26 -3.11 118.16 113.35 2jk2 n LYS 13 Ca 0.04 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 2jk2 n LYS 13 Cb 0.29 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.31 2jk2 n LYS 13 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 2jk2 n MET 14 N 2.42 4.13 -4.05 1.97 0.00 -1.26 -3.89 117.12 116.44 2jk2 n MET 14 Ca 0.00 -3.92 -0.12 0.00 -0.00 0.00 0.00 57.70 53.65 2jk2 n MET 14 Cb 0.00 -2.73 -0.12 0.00 0.00 0.00 0.00 33.22 30.37 2jk2 n MET 14 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 2jk2 s ASN 15 N -0.21 0.64 0.00 6.12 0.01 -1.18 -5.11 114.94 115.21 2jk2 s ASN 15 Ca 0.38 -0.44 0.00 0.00 -0.71 0.00 0.00 52.86 52.09 2jk2 s ASN 15 Cb 0.10 0.03 0.00 0.00 0.41 0.00 0.00 41.25 41.79 2jk2 s ASN 15 CO 0.02 -0.18 0.00 0.61 -1.51 0.00 0.00 177.10 176.04 2jk2 n GLY 16 N 1.80 1.72 3.44 0.66 0.00 -1.26 -4.70 105.19 106.85 2jk2 n GLY 16 Ca -0.21 -1.84 -0.23 0.00 0.00 0.00 0.00 46.02 43.73 2jk2 n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jk2 s ARG 17 N -3.06 1.85 0.25 1.61 1.81 -1.26 -4.96 118.95 115.20 2jk2 s ARG 17 Ca 0.00 -2.11 -0.03 0.00 -1.72 0.00 0.00 55.73 51.87 2jk2 s ARG 17 Cb 0.00 -0.32 0.44 0.00 -0.45 0.00 0.00 34.95 34.62 2jk2 s ARG 17 CO 0.00 -0.52 1.79 0.87 -0.68 0.00 0.00 175.30 176.76 2jk2 h LYS 18 N 1.92 0.72 0.55 3.54 1.57 -1.99 0.44 116.57 123.31 2jk2 h LYS 18 Ca -0.33 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.38 2jk2 h LYS 18 Cb 1.26 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 33.41 2jk2 h LYS 18 CO 0.51 0.47 -0.26 0.37 -0.57 0.00 0.00 179.45 179.97 2jk2 h GLN 19 N 0.74 -0.71 -0.55 3.15 4.15 -1.99 0.43 115.11 120.33 2jk2 h GLN 19 Ca 0.42 0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.78 2jk2 h GLN 19 Cb 0.46 0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.29 2jk2 h GLN 19 CO -0.28 -0.41 -0.06 0.66 -1.93 0.00 0.00 178.83 176.81 2jk2 h SER 20 N -0.93 0.99 -0.05 -0.69 4.64 -1.93 -2.37 113.55 113.21 2jk2 h SER 20 Ca -0.08 -0.30 -0.10 0.00 -0.47 0.00 0.00 61.79 60.84 2jk2 h SER 20 Cb 0.63 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 2jk2 h SER 20 CO 0.12 1.08 -0.28 -0.07 -0.87 0.00 0.00 176.83 176.81 2jk2 h LEU 21 N 0.90 0.50 -0.74 5.97 4.07 -0.95 -1.44 115.31 123.62 2jk2 h LEU 21 Ca 0.15 -0.18 0.02 0.00 0.08 0.00 0.00 57.88 57.95 2jk2 h LEU 21 Cb 0.61 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 42.17 2jk2 h LEU 21 CO 0.04 0.77 0.48 1.23 -1.08 0.00 0.00 178.44 179.88 2jk2 h GLY 22 N 1.04 1.05 1.00 0.83 0.00 -0.70 -0.85 103.07 105.44 2jk2 h GLY 22 Ca 0.06 -0.37 -0.09 0.00 0.00 0.00 0.00 47.33 46.93 2jk2 h GLY 22 CO 0.05 0.34 -0.07 0.83 0.00 0.00 0.00 176.54 177.70 2jk2 h GLU 23 N 0.95 0.84 -0.35 4.80 5.08 -1.11 -1.10 114.58 123.69 2jk2 h GLU 23 Ca 0.28 -0.30 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2jk2 h GLU 23 Cb -0.05 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2jk2 h GLU 23 CO -0.08 0.93 0.23 1.25 -1.00 0.00 0.00 179.01 180.33 2jk2 h LEU 24 N 0.68 0.39 -0.97 1.33 5.85 -1.16 -2.00 115.31 119.43 2jk2 h LEU 24 Ca 0.12 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 2jk2 h LEU 24 Cb 0.59 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 2jk2 h LEU 24 CO 0.04 0.29 0.47 0.40 -0.34 0.00 0.00 178.44 179.29 2jk2 h ILE 25 N 0.47 1.25 -0.35 4.05 2.04 -1.03 -0.75 117.51 123.19 2jk2 h ILE 25 Ca 0.13 -0.62 0.06 0.00 1.00 0.00 0.00 64.86 65.43 2jk2 h ILE 25 Cb -0.05 0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 36.06 2jk2 h ILE 25 CO -0.03 0.28 0.02 1.23 0.00 0.00 0.00 178.15 179.65 2jk2 h GLY 26 N 1.22 0.36 0.99 5.37 0.00 -0.83 0.23 103.07 110.41 2jk2 h GLY 26 Ca 0.30 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.63 2jk2 h GLY 26 CO -0.05 -0.07 0.27 -0.84 0.00 0.00 0.00 176.54 175.86 2jk2 h THR 27 N 0.12 1.22 -0.57 4.70 2.02 -0.77 -2.04 112.91 117.58 2jk2 h THR 27 Ca 0.17 -0.62 -0.10 0.00 0.77 0.00 0.00 66.41 66.62 2jk2 h THR 27 Cb 0.22 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 2jk2 h THR 27 CO -0.27 0.25 -0.04 -0.07 0.37 0.00 0.00 175.52 175.76 2jk2 h LEU 28 N 0.81 1.01 -1.20 2.58 3.38 -0.68 -2.79 115.31 118.42 2jk2 h LEU 28 Ca 0.20 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 2jk2 h LEU 28 Cb 0.14 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2jk2 h LEU 28 CO -0.02 1.08 0.04 0.78 0.09 0.00 0.00 178.44 180.41 2jk2 h ASN 29 N 0.93 0.55 1.26 -0.43 2.35 -0.33 -2.41 115.58 117.50 2jk2 h ASN 29 Ca 0.16 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2jk2 h ASN 29 Cb 0.59 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.82 2jk2 h ASN 29 CO 0.04 0.59 0.00 0.00 -1.65 0.00 0.00 177.43 176.41 2jk2 h ALA 30 N 1.48 1.00 -2.59 -0.83 0.00 -1.14 -3.45 119.26 113.72 2jk2 h ALA 30 Ca 0.12 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.51 2jk2 h ALA 30 Cb 0.30 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.10 2jk2 h ALA 30 CO 0.01 0.00 0.51 0.00 0.00 0.00 0.00 179.25 179.77 2jk2 s ALA 31 N -3.36 3.38 -0.57 0.00 0.00 -0.91 -4.98 121.76 115.32 2jk2 s ALA 31 Ca 0.05 0.84 -0.28 0.00 0.00 0.00 0.00 51.96 52.57 2jk2 s ALA 31 Cb 0.09 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.84 2jk2 s ALA 31 CO 0.54 -0.31 1.30 0.21 0.00 0.00 0.00 175.76 177.50 2jk2 s LYS 32 N 0.16 3.42 -0.10 0.00 2.20 -1.26 -5.00 119.74 119.16 2jk2 s LYS 32 Ca 0.53 0.35 -0.30 0.00 -0.36 0.00 0.00 55.97 56.19 2jk2 s LYS 32 Cb -0.30 -4.07 -0.01 0.00 -1.51 0.00 0.00 37.83 31.94 2jk2 s LYS 32 CO 0.33 -1.80 1.03 0.54 -0.36 0.00 0.00 175.35 175.09 2jk2 s VAL 33 N 5.46 4.73 0.29 4.02 0.11 -1.26 -5.01 120.40 128.74 2jk2 s VAL 33 Ca 0.47 2.00 -0.29 0.00 -2.93 0.00 0.00 61.98 61.23 2jk2 s VAL 33 Cb -0.09 -4.28 -0.13 0.00 -1.53 0.00 0.00 36.38 30.34 2jk2 s VAL 33 CO 0.25 0.00 1.24 -2.65 -3.33 0.00 0.00 175.10 170.61 2jk2 n PRO 34 N 5.03 1.85 0.28 1.54 -0.02 -1.26 -4.90 135.00 137.51 2jk2 n PRO 34 Ca 0.09 0.65 0.14 0.00 -2.02 0.00 0.00 63.50 62.36 2jk2 n PRO 34 Cb 0.48 -2.19 0.80 0.00 -0.02 0.00 0.00 33.50 32.58 2jk2 n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jk2 h ALA 35 N 2.85 1.31 -0.51 3.55 0.00 -2.01 -2.35 119.26 122.09 2jk2 h ALA 35 Ca -0.44 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2jk2 h ALA 35 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2jk2 h ALA 35 CO 0.66 0.10 0.00 -0.40 0.00 0.00 0.00 179.25 179.61 2jk2 n ASP 36 N -3.63 3.12 -4.04 0.00 5.75 -1.26 -4.86 116.55 111.63 2jk2 n ASP 36 Ca -0.02 -2.11 -0.27 0.00 -0.01 0.00 0.00 54.79 52.37 2jk2 n ASP 36 Cb 0.19 -0.40 -0.17 0.00 -1.03 0.00 0.00 41.12 39.71 2jk2 n ASP 36 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2jk2 s THR 37 N -1.45 1.37 -0.25 2.12 2.01 -0.88 -3.33 115.64 115.23 2jk2 s THR 37 Ca 0.36 -0.57 -0.17 0.00 0.31 0.00 0.00 61.69 61.62 2jk2 s THR 37 Cb 0.20 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.42 2jk2 s THR 37 CO 0.22 0.41 0.45 -0.70 -0.69 0.00 0.00 174.62 174.31 2jk2 s GLU 38 N 0.96 4.08 -0.13 4.92 2.12 0.50 -4.74 118.70 126.41 2jk2 s GLU 38 Ca -0.08 0.22 -0.00 0.00 0.36 0.00 0.00 54.97 55.47 2jk2 s GLU 38 Cb -0.15 -3.62 -0.01 0.00 0.26 0.00 0.00 34.13 30.60 2jk2 s GLU 38 CO -0.01 -0.25 -0.13 0.08 -0.54 0.00 0.00 175.26 174.41 2jk2 s VAL 39 N 1.98 3.00 -0.02 3.70 1.01 -1.26 -0.71 120.40 128.10 2jk2 s VAL 39 Ca 0.19 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.52 2jk2 s VAL 39 Cb -0.15 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 33.97 2jk2 s VAL 39 CO 0.09 0.52 -0.08 -0.69 0.00 0.00 0.00 175.10 174.94 2jk2 s VAL 40 N 0.39 0.71 -0.04 2.92 1.01 -0.46 -1.43 120.40 123.50 2jk2 s VAL 40 Ca -0.11 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.60 2jk2 s VAL 40 Cb -0.16 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 2jk2 s VAL 40 CO 0.05 0.22 -0.24 0.00 0.00 0.00 0.00 175.10 175.14 2jk2 s ALA 42 N -0.42 3.29 0.72 0.00 0.00 0.52 -0.52 121.76 125.34 2jk2 s ALA 42 Ca 0.04 -2.99 -0.11 0.00 0.00 0.00 0.00 51.96 48.90 2jk2 s ALA 42 Cb -0.12 -2.33 0.03 0.00 0.00 0.00 0.00 23.12 20.69 2jk2 s ALA 42 CO 0.01 -1.94 1.09 -1.25 0.00 0.00 0.00 175.76 173.67 2jk2 s PRO 43 N 0.28 2.70 0.60 0.00 0.05 -1.24 -1.62 135.00 135.77 2jk2 s PRO 43 Ca 0.14 0.60 -0.18 0.00 0.05 0.00 0.00 61.00 61.61 2jk2 s PRO 43 Cb -0.22 -1.99 -0.05 0.00 0.05 0.00 0.00 34.50 32.29 2jk2 s PRO 43 CO -0.03 -1.18 0.94 -2.30 0.05 0.00 0.00 177.00 174.48 2jk2 n PRO 44 N -3.13 0.87 -0.31 0.56 -0.02 -1.25 -4.43 135.00 127.29 2jk2 n PRO 44 Ca 0.07 0.34 0.10 0.00 -2.02 0.00 0.00 63.50 61.99 2jk2 n PRO 44 Cb 0.56 -2.15 0.32 0.00 -0.02 0.00 0.00 33.50 32.22 2jk2 n PRO 44 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2jk2 h THR 45 N 0.46 0.86 0.00 3.45 2.02 -1.95 0.68 112.91 118.43 2jk2 h THR 45 Ca -0.48 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.42 2jk2 h THR 45 Cb 1.37 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2jk2 h THR 45 CO 0.51 0.15 0.00 0.00 0.37 0.00 0.00 175.52 176.54 2jk2 h ALA 46 N 1.58 1.00 -0.15 6.16 0.00 -2.02 -3.04 119.26 122.80 2jk2 h ALA 46 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2jk2 h ALA 46 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2jk2 h ALA 46 CO -0.24 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.67 2jk2 n TYR 47 N -2.95 0.21 -0.01 0.00 4.01 0.22 -4.70 117.16 113.93 2jk2 n TYR 47 Ca -0.02 -0.52 -0.10 0.00 -0.16 0.00 0.00 57.90 57.10 2jk2 n TYR 47 Cb 0.13 -0.05 -0.04 0.00 -0.31 0.00 0.00 39.34 39.07 2jk2 n TYR 47 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 2jk2 h ILE 48 N 0.87 0.89 0.57 -0.72 2.04 -1.40 0.20 117.51 119.96 2jk2 h ILE 48 Ca 0.00 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 2jk2 h ILE 48 Cb 0.63 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 2jk2 h ILE 48 CO 0.00 0.00 -0.34 -0.78 0.00 0.00 0.00 178.15 177.04 2jk2 h ASP 49 N 0.02 -0.86 -0.42 1.72 3.58 -1.84 -0.81 116.42 117.82 2jk2 h ASP 49 Ca 0.06 0.05 0.09 0.00 0.42 0.00 0.00 57.03 57.65 2jk2 h ASP 49 Cb 0.08 0.25 -0.09 0.00 1.72 0.00 0.00 39.33 41.29 2jk2 h ASP 49 CO -0.12 -0.54 -0.26 0.15 -2.88 0.00 0.00 179.24 175.59 2jk2 h PHE 50 N -0.86 -0.70 -0.47 0.28 3.57 -1.82 -1.53 116.94 115.41 2jk2 h PHE 50 Ca -0.07 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2jk2 h PHE 50 Cb 0.70 0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 2jk2 h PHE 50 CO -0.09 -0.34 0.25 0.00 -2.23 0.00 0.00 178.31 175.90 2jk2 h ALA 51 N 0.98 0.60 -0.79 2.41 0.00 -0.44 -2.03 119.26 120.00 2jk2 h ALA 51 Ca 0.19 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2jk2 h ALA 51 Cb 0.49 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2jk2 h ALA 51 CO -0.53 0.14 0.37 -0.09 0.00 0.00 0.00 179.25 179.13 2jk2 h ARG 52 N 0.62 1.14 -0.66 0.00 9.65 -0.84 0.23 114.38 124.51 2jk2 h ARG 52 Ca 0.16 -0.17 -0.04 0.00 -1.10 0.00 0.00 59.98 58.83 2jk2 h ARG 52 Cb 0.07 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 28.41 2jk2 h ARG 52 CO -0.03 0.88 0.24 1.96 2.80 0.00 0.00 179.97 185.83 2jk2 h GLN 53 N 1.12 0.99 0.07 0.20 4.20 -0.94 -3.28 115.11 117.47 2jk2 h GLN 53 Ca 0.27 -0.18 -0.31 0.00 0.06 0.00 0.00 58.65 58.49 2jk2 h GLN 53 Cb 0.13 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 2jk2 h GLN 53 CO -0.03 0.82 -1.73 0.87 -0.67 0.00 0.00 178.83 178.09 2jk2 h LYS 54 N 0.96 0.14 -6.74 1.46 1.79 -0.89 -3.47 116.57 109.83 2jk2 h LYS 54 Ca 0.22 -0.24 -0.52 0.00 -2.18 0.00 0.00 60.65 57.93 2jk2 h LYS 54 Cb 0.22 0.09 0.04 0.00 -1.58 0.00 0.00 32.23 31.00 2jk2 h LYS 54 CO -0.02 0.88 0.62 -0.51 -1.08 0.00 0.00 179.45 179.35 2jk2 s LEU 55 N -6.61 4.44 0.31 2.94 2.01 0.75 -4.95 118.68 117.56 2jk2 s LEU 55 Ca -0.11 2.45 -0.29 0.00 0.01 0.00 0.00 54.13 56.19 2jk2 s LEU 55 Cb 0.07 -3.62 -0.13 0.00 0.01 0.00 0.00 46.19 42.52 2jk2 s LEU 55 CO 0.81 -0.48 1.32 -0.67 1.01 0.00 0.00 176.35 178.35 2jk2 n ASP 56 N 1.99 2.73 0.34 2.29 2.03 -1.26 -4.88 116.55 119.78 2jk2 n ASP 56 Ca 0.04 1.19 0.17 0.00 0.52 0.00 0.00 54.79 56.70 2jk2 n ASP 56 Cb 0.43 -1.46 0.90 0.00 -0.72 0.00 0.00 41.12 40.27 2jk2 n ASP 56 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2jk2 h PRO 57 N 3.09 0.00 0.00 -0.67 0.13 -1.95 -1.53 132.00 131.08 2jk2 h PRO 57 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2jk2 h PRO 57 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 2jk2 h PRO 57 CO 0.67 0.00 -0.02 1.57 -0.23 0.00 0.00 178.00 179.99 2jk2 h LYS 58 N 0.00 0.00 -5.42 0.86 2.10 -1.98 -3.40 116.57 108.74 2jk2 h LYS 58 Ca 0.00 0.00 -0.64 0.00 -2.00 0.00 0.00 60.65 58.01 2jk2 h LYS 58 Cb 0.53 0.00 -0.18 0.00 -0.90 0.00 0.00 32.23 31.69 2jk2 h LYS 58 CO -0.00 0.02 -0.61 0.42 -2.00 0.00 0.00 179.45 177.28 2jk2 s ILE 59 N -4.30 4.36 0.43 0.07 1.01 -0.58 -4.66 121.20 117.54 2jk2 s ILE 59 Ca -0.04 -0.20 -0.06 0.00 0.00 0.00 0.00 60.65 60.36 2jk2 s ILE 59 Cb 0.14 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 2jk2 s ILE 59 CO 0.49 0.50 0.73 0.00 0.00 0.00 0.00 174.94 176.66 2jk2 s ALA 60 N 0.11 3.45 -0.05 9.38 0.00 -0.51 -4.83 121.76 129.31 2jk2 s ALA 60 Ca 0.02 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 51.52 2jk2 s ALA 60 Cb -0.13 -2.52 -0.02 0.00 0.00 0.00 0.00 23.12 20.45 2jk2 s ALA 60 CO 0.02 -0.17 -0.16 0.08 0.00 0.00 0.00 175.76 175.52 2jk2 s VAL 61 N -2.54 2.90 0.05 0.00 1.01 -1.26 -1.10 120.40 119.46 2jk2 s VAL 61 Ca 0.47 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.75 2jk2 s VAL 61 Cb -0.10 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 2jk2 s VAL 61 CO 0.39 0.59 -0.24 0.00 0.00 0.00 0.00 175.10 175.84 2jk2 s ALA 62 N -0.63 2.04 0.54 5.51 0.00 0.32 -1.03 121.76 128.50 2jk2 s ALA 62 Ca 0.09 -1.18 -0.17 0.00 0.00 0.00 0.00 51.96 50.70 2jk2 s ALA 62 Cb -0.11 -0.42 -0.06 0.00 0.00 0.00 0.00 23.12 22.53 2jk2 s ALA 62 CO 0.01 0.47 1.02 0.00 0.00 0.00 0.00 175.76 177.26 2jk2 s ALA 63 N -0.80 2.90 -1.47 0.00 0.00 -0.17 -3.65 121.76 118.56 2jk2 s ALA 63 Ca 0.10 0.34 0.27 0.00 0.00 0.00 0.00 51.96 52.67 2jk2 s ALA 63 Cb -0.09 -3.19 0.92 0.00 0.00 0.00 0.00 23.12 20.76 2jk2 s ALA 63 CO 0.02 -0.47 1.68 1.04 0.00 0.00 0.00 175.76 178.03 2jk2 n GLN 64 N -1.64 0.51 -3.61 0.00 6.02 -1.26 -0.70 117.38 116.71 2jk2 n GLN 64 Ca 0.08 -0.24 -0.02 0.00 -0.01 0.00 0.00 57.00 56.81 2jk2 n GLN 64 Cb 0.53 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.28 2jk2 n GLN 64 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2jk2 s ASN 65 N -2.65 -0.09 0.32 1.08 2.47 -1.22 -4.51 114.94 110.34 2jk2 s ASN 65 Ca 0.22 -0.02 -0.14 0.00 0.42 0.00 0.00 52.86 53.34 2jk2 s ASN 65 Cb 0.19 0.11 0.02 0.00 -1.45 0.00 0.00 41.25 40.13 2jk2 s ASN 65 CO 0.54 -0.19 0.64 0.00 -3.72 0.00 0.00 177.10 174.37 2jk2 n TYR 67 N -0.48 -2.08 -0.25 0.00 9.36 0.41 -4.94 117.16 119.18 2jk2 n TYR 67 Ca -0.04 -0.98 0.07 0.00 3.32 0.00 0.00 57.90 60.27 2jk2 n TYR 67 Cb 0.60 -0.23 0.19 0.00 -0.63 0.00 0.00 39.34 39.28 2jk2 n TYR 67 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 2jk2 n LYS 68 N -1.38 2.87 -4.17 2.98 2.85 -1.26 -4.51 118.16 115.54 2jk2 n LYS 68 Ca 0.04 -2.20 -0.10 0.00 -1.05 0.00 0.00 58.31 54.99 2jk2 n LYS 68 Cb 0.27 -1.35 -0.10 0.00 -0.65 0.00 0.00 35.03 33.20 2jk2 n LYS 68 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2jk2 s VAL 69 N -1.07 0.62 0.18 0.58 -7.23 -1.26 -4.83 120.40 107.39 2jk2 s VAL 69 Ca 0.29 -1.92 -0.02 0.00 -1.81 0.00 0.00 61.98 58.51 2jk2 s VAL 69 Cb 0.16 -1.71 -0.09 0.00 0.56 0.00 0.00 36.38 35.30 2jk2 s VAL 69 CO 0.19 -0.84 1.46 0.00 -0.31 0.00 0.00 175.10 175.59 2jk2 h THR 70 N 2.96 1.35 -2.87 5.32 1.03 -1.99 -3.43 112.91 115.28 2jk2 h THR 70 Ca -0.35 -2.00 -0.08 0.00 -0.01 0.00 0.00 66.41 63.97 2jk2 h THR 70 Cb 1.17 1.98 -0.17 0.00 -1.07 0.00 0.00 68.15 70.06 2jk2 h THR 70 CO 0.65 0.61 -0.06 0.20 -0.01 0.00 0.00 175.52 176.90 2jk2 s ASN 71 N -6.96 -0.35 0.00 0.00 0.01 -1.26 -4.70 114.94 101.68 2jk2 s ASN 71 Ca -0.06 0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.20 2jk2 s ASN 71 Cb 0.11 0.44 0.00 0.00 0.41 0.00 0.00 41.25 42.21 2jk2 s ASN 71 CO 0.84 -0.65 0.00 0.61 -1.51 0.00 0.00 177.10 176.39 2jk2 n GLY 72 N 0.61 -2.00 2.67 0.66 0.00 -1.26 -5.02 105.19 100.85 2jk2 n GLY 72 Ca -0.19 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 2jk2 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jk2 n ALA 73 N 0.00 5.98 -3.28 4.61 0.00 -1.26 -4.70 120.51 121.85 2jk2 n ALA 73 Ca 0.00 -3.98 -0.25 0.00 0.00 0.00 0.00 53.44 49.21 2jk2 n ALA 73 Cb 0.00 -3.25 -0.07 0.00 0.00 0.00 0.00 19.45 16.12 2jk2 n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2jk2 n PHE 74 N 4.50 1.52 -1.59 0.00 3.72 -1.26 -5.10 117.46 119.25 2jk2 n PHE 74 Ca 0.54 -3.84 -0.54 0.00 -0.05 0.00 0.00 57.45 53.55 2jk2 n PHE 74 Cb 0.34 -0.45 -0.07 0.00 -0.94 0.00 0.00 39.48 38.37 2jk2 n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2jk2 n THR 75 N 1.09 0.03 -0.24 4.37 -1.04 -1.26 -1.41 114.28 115.82 2jk2 n THR 75 Ca 0.25 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 2jk2 n THR 75 Cb 0.48 -0.68 0.00 0.00 -1.82 0.00 0.00 70.33 68.31 2jk2 n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jk2 n GLY 76 N 2.51 0.95 3.83 3.41 0.00 -1.26 -5.06 105.19 109.58 2jk2 n GLY 76 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 2jk2 n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jk2 s GLU 77 N -0.58 2.63 0.07 1.61 0.41 -0.50 -5.13 118.70 117.22 2jk2 s GLU 77 Ca 0.00 -1.38 0.03 0.00 -0.41 0.00 0.00 54.97 53.21 2jk2 s GLU 77 Cb 0.00 -2.41 -0.03 0.00 -1.78 0.00 0.00 34.13 29.91 2jk2 s GLU 77 CO 0.00 0.05 -0.09 0.96 -0.49 0.00 0.00 175.26 175.70 2jk2 s ILE 78 N -2.35 0.72 0.24 -1.63 -4.36 -1.26 -5.02 121.20 107.53 2jk2 s ILE 78 Ca 0.41 -1.45 0.07 0.00 -0.26 0.00 0.00 60.65 59.42 2jk2 s ILE 78 Cb -0.05 -1.10 -0.04 0.00 1.25 0.00 0.00 42.46 42.53 2jk2 s ILE 78 CO 0.26 -0.54 0.21 -0.94 0.24 0.00 0.00 174.94 174.17 2jk2 s SER 79 N -2.18 5.62 0.32 4.36 1.04 -1.26 -0.44 113.70 121.17 2jk2 s SER 79 Ca -0.00 -0.20 0.10 0.00 0.48 0.00 0.00 55.95 56.33 2jk2 s SER 79 Cb -0.04 -1.47 0.89 0.00 0.10 0.00 0.00 66.02 65.50 2jk2 s SER 79 CO -0.01 -0.03 1.73 -0.65 0.98 0.00 0.00 173.24 175.27 2jk2 h PRO 80 N 1.57 0.57 -0.99 4.02 0.11 -1.84 -0.84 132.00 134.60 2jk2 h PRO 80 Ca -0.49 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.67 2jk2 h PRO 80 Cb 1.23 -0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.14 2jk2 h PRO 80 CO 0.61 0.38 0.63 0.78 -0.21 0.00 0.00 178.00 180.19 2jk2 h GLY 81 N 0.59 1.53 1.06 -0.55 0.00 -1.90 0.07 103.07 103.86 2jk2 h GLY 81 Ca 0.64 -0.45 -0.13 0.00 0.00 0.00 0.00 47.33 47.39 2jk2 h GLY 81 CO -0.47 0.28 -0.29 -0.33 0.00 0.00 0.00 176.54 175.73 2jk2 h MET 82 N 1.10 0.86 -0.08 4.80 2.86 -1.51 -1.74 114.93 121.22 2jk2 h MET 82 Ca 0.44 -0.42 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2jk2 h MET 82 Cb 0.26 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 2jk2 h MET 82 CO -0.20 1.06 0.04 0.82 1.06 0.00 0.00 176.91 179.69 2jk2 h ILE 83 N 0.66 1.00 -0.91 -1.22 2.04 -0.57 -1.24 117.51 117.26 2jk2 h ILE 83 Ca 0.07 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.90 2jk2 h ILE 83 Cb 0.86 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 2jk2 h ILE 83 CO 0.08 0.02 0.57 0.11 0.00 0.00 0.00 178.15 178.92 2jk2 h LYS 84 N 0.08 1.22 -0.07 2.37 1.57 -1.03 -2.30 116.57 118.42 2jk2 h LYS 84 Ca 0.03 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2jk2 h LYS 84 Cb 0.00 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 2jk2 h LYS 84 CO -0.02 0.83 -0.06 0.22 -0.57 0.00 0.00 179.45 179.85 2jk2 h ASP 85 N 1.25 0.09 -0.01 0.86 3.58 -0.78 -0.18 116.42 121.22 2jk2 h ASP 85 Ca 0.33 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.77 2jk2 h ASP 85 Cb -0.09 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 40.94 2jk2 h ASP 85 CO -0.07 0.17 0.00 0.00 -2.88 0.00 0.00 179.24 176.46 2jk2 n GLY 87 N 1.08 0.75 3.82 0.00 0.00 -0.08 -4.61 105.19 106.15 2jk2 n GLY 87 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 2jk2 n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jk2 s ALA 88 N -2.54 2.99 0.00 4.61 0.00 -0.91 -4.72 121.76 121.19 2jk2 s ALA 88 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.36 2jk2 s ALA 88 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.95 2jk2 s ALA 88 CO 0.00 -0.09 0.46 0.25 0.00 0.00 0.00 175.76 176.39 2jk2 n THR 89 N -0.97 0.13 -4.14 0.00 -2.24 -0.20 -4.01 114.28 102.85 2jk2 n THR 89 Ca 0.07 -0.44 -0.10 0.00 -2.27 0.00 0.00 64.05 61.32 2jk2 n THR 89 Cb 0.54 1.14 -0.10 0.00 -2.10 0.00 0.00 70.33 69.80 2jk2 n THR 89 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2jk2 s TRP 90 N -0.13 0.76 -0.01 4.78 0.52 -1.12 -1.56 118.94 122.18 2jk2 s TRP 90 Ca 0.00 -0.94 0.02 0.00 0.02 0.00 0.00 56.10 55.20 2jk2 s TRP 90 Cb 0.00 -0.47 -0.00 0.00 -1.15 0.00 0.00 33.47 31.85 2jk2 s TRP 90 CO 0.00 -0.22 -0.05 0.54 0.02 0.00 0.00 176.95 177.24 2jk2 s VAL 91 N -3.58 0.42 -0.14 4.03 0.11 -0.34 -1.00 120.40 119.90 2jk2 s VAL 91 Ca 0.09 -0.20 -0.24 0.00 -2.93 0.00 0.00 61.98 58.69 2jk2 s VAL 91 Cb 0.05 -0.37 -0.02 0.00 -1.53 0.00 0.00 36.38 34.51 2jk2 s VAL 91 CO -0.06 0.13 0.77 -0.69 -3.33 0.00 0.00 175.10 171.92 2jk2 s VAL 92 N 0.01 4.95 -0.01 2.04 1.01 0.12 -1.25 120.40 127.27 2jk2 s VAL 92 Ca 0.00 1.53 0.04 0.00 0.00 0.00 0.00 61.98 63.56 2jk2 s VAL 92 Cb -0.04 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 2jk2 s VAL 92 CO -0.00 0.11 -0.14 -0.76 0.00 0.00 0.00 175.10 174.30 2jk2 s LEU 93 N 1.68 2.02 -0.13 3.92 1.43 -0.26 -3.37 118.68 123.97 2jk2 s LEU 93 Ca 0.37 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 2jk2 s LEU 93 Cb -0.17 -0.75 0.00 0.00 0.03 0.00 0.00 46.19 45.31 2jk2 s LEU 93 CO 0.14 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.51 2jk2 n GLY 94 N 2.74 0.50 3.60 -3.19 0.00 -1.26 -1.03 105.19 106.56 2jk2 n GLY 94 Ca -0.14 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 2jk2 n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2jk2 n HIS 95 N -2.93 1.29 -0.20 1.61 -0.00 -1.26 -4.50 115.22 109.23 2jk2 n HIS 95 Ca -0.01 0.63 0.19 0.00 0.46 0.00 0.00 57.72 58.98 2jk2 n HIS 95 Cb 0.06 -2.25 0.54 0.00 -0.12 0.00 0.00 29.99 28.22 2jk2 n HIS 95 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 2jk2 h SER 96 N 1.85 0.35 -0.62 0.26 4.64 -1.94 0.86 113.55 118.95 2jk2 h SER 96 Ca -0.42 0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 60.85 2jk2 h SER 96 Cb 1.33 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.37 2jk2 h SER 96 CO 0.59 0.15 0.06 -0.33 -0.87 0.00 0.00 176.83 176.43 2jk2 h GLU 97 N 0.35 1.05 -0.51 4.77 5.08 -1.98 0.20 114.58 123.54 2jk2 h GLU 97 Ca 0.43 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 2jk2 h GLU 97 Cb 1.12 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 2jk2 h GLU 97 CO -0.14 1.00 0.13 0.00 -1.00 0.00 0.00 179.01 179.00 2jk2 h ARG 98 N 0.95 0.81 -0.53 2.33 2.47 -1.21 -0.06 114.38 119.14 2jk2 h ARG 98 Ca 0.18 -0.19 -0.06 0.00 -1.26 0.00 0.00 59.98 58.65 2jk2 h ARG 98 Cb 0.48 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.67 2jk2 h ARG 98 CO 0.02 0.77 0.10 0.00 0.56 0.00 0.00 179.97 181.42 2jk2 h ARG 99 N 0.71 0.87 0.00 0.04 3.08 -1.07 -2.02 114.38 116.00 2jk2 h ARG 99 Ca 0.16 -0.23 -0.36 0.00 0.07 0.00 0.00 59.98 59.63 2jk2 h ARG 99 Cb 0.32 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.20 2jk2 h ARG 99 CO -0.00 0.84 -2.36 0.72 -1.07 0.00 0.00 179.97 178.10 2jk2 n HIS 100 N -4.39 0.00 0.12 3.04 8.25 0.04 -2.73 115.22 119.55 2jk2 n HIS 100 Ca 0.02 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.24 2jk2 n HIS 100 Cb 0.25 -0.93 -0.15 0.00 1.12 0.00 0.00 29.99 30.28 2jk2 n HIS 100 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2jk2 h VAL 101 N 0.00 1.34 -0.27 1.59 2.07 -1.18 -3.38 116.25 116.42 2jk2 h VAL 101 Ca -0.53 -2.63 0.00 0.00 0.82 0.00 0.00 66.70 64.36 2jk2 h VAL 101 Cb 1.88 3.05 0.00 0.00 -1.52 0.00 0.00 31.29 34.70 2jk2 h VAL 101 CO -0.07 0.78 0.00 0.49 0.02 0.00 0.00 177.57 178.79 2jk2 n PHE 102 N -3.84 0.35 -2.04 1.57 3.72 -1.08 -4.99 117.46 111.15 2jk2 n PHE 102 Ca -0.16 -0.28 -0.16 0.00 -0.05 0.00 0.00 57.45 56.80 2jk2 n PHE 102 Cb 1.02 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 39.52 2jk2 n PHE 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jk2 n GLY 103 N 0.85 0.31 3.67 1.37 0.00 -0.92 -4.93 105.19 105.54 2jk2 n GLY 103 Ca 0.13 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 2jk2 n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jk2 s GLU 104 N -4.33 4.22 0.59 1.61 2.02 -0.80 -4.98 118.70 117.02 2jk2 s GLU 104 Ca 0.00 2.13 -0.13 0.00 0.02 0.00 0.00 54.97 56.99 2jk2 s GLU 104 Cb 0.00 -3.76 -0.05 0.00 0.10 0.00 0.00 34.13 30.42 2jk2 s GLU 104 CO 0.00 -0.73 1.02 -1.54 0.02 0.00 0.00 175.26 174.02 2jk2 s SER 105 N 2.62 6.31 0.26 -0.19 1.04 -1.26 -4.49 113.70 117.98 2jk2 s SER 105 Ca 0.70 1.48 -0.03 0.00 0.48 0.00 0.00 55.95 58.57 2jk2 s SER 105 Cb -0.34 -2.48 0.36 0.00 0.10 0.00 0.00 66.02 63.66 2jk2 s SER 105 CO 0.28 -0.81 1.90 0.44 0.98 0.00 0.00 173.24 176.03 2jk2 h ASP 106 N 0.05 1.08 -0.05 7.02 3.32 -1.99 -0.51 116.42 125.34 2jk2 h ASP 106 Ca -0.45 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2jk2 h ASP 106 Cb 1.19 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.50 2jk2 h ASP 106 CO 0.62 0.73 0.03 -0.08 -1.72 0.00 0.00 179.24 178.81 2jk2 h GLU 107 N 1.24 0.06 -0.45 3.56 4.57 -1.96 -0.33 114.58 121.27 2jk2 h GLU 107 Ca 0.41 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.57 2jk2 h GLU 107 Cb 0.04 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 2jk2 h GLU 107 CO -0.14 0.04 0.26 1.25 -1.18 0.00 0.00 179.01 179.24 2jk2 h LEU 108 N 0.07 0.56 -0.72 1.64 6.46 -1.85 -1.56 115.31 119.91 2jk2 h LEU 108 Ca 0.02 -0.08 0.04 0.00 -0.12 0.00 0.00 57.88 57.74 2jk2 h LEU 108 Cb -0.01 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 39.74 2jk2 h LEU 108 CO -0.01 0.48 0.45 0.40 -0.62 0.00 0.00 178.44 179.14 2jk2 h ILE 109 N 0.60 1.08 -0.62 4.05 2.04 -0.92 -1.26 117.51 122.48 2jk2 h ILE 109 Ca 0.16 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 2jk2 h ILE 109 Cb 0.04 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.23 2jk2 h ILE 109 CO -0.03 0.16 0.37 1.23 0.00 0.00 0.00 178.15 179.88 2jk2 h GLY 110 N 0.86 0.90 1.61 5.37 0.00 -0.54 -0.86 103.07 110.43 2jk2 h GLY 110 Ca 0.29 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 2jk2 h GLY 110 CO -0.12 0.37 -0.17 1.46 0.00 0.00 0.00 176.54 178.07 2jk2 h GLN 111 N 0.84 0.46 -0.51 4.80 4.20 -0.87 -1.08 115.11 122.96 2jk2 h GLN 111 Ca 0.22 -0.15 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 2jk2 h GLN 111 Cb -0.01 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2jk2 h GLN 111 CO -0.04 0.62 0.07 0.87 -0.67 0.00 0.00 178.83 179.68 2jk2 h LYS 112 N 0.42 0.84 -0.10 1.46 1.57 -0.79 -1.61 116.57 118.36 2jk2 h LYS 112 Ca 0.07 -0.23 0.01 0.00 -1.87 0.00 0.00 60.65 58.63 2jk2 h LYS 112 Cb 0.55 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2jk2 h LYS 112 CO 0.04 0.84 0.02 0.28 -0.57 0.00 0.00 179.45 180.05 2jk2 h VAL 113 N 0.72 0.96 -0.60 0.50 2.07 -0.76 0.18 116.25 119.31 2jk2 h VAL 113 Ca 0.15 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.68 2jk2 h VAL 113 Cb 0.41 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2jk2 h VAL 113 CO 0.01 0.01 0.37 0.00 0.02 0.00 0.00 177.57 177.98 2jk2 h ALA 114 N 1.07 0.78 -0.22 1.67 0.00 -1.08 -1.61 119.26 119.87 2jk2 h ALA 114 Ca 0.04 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2jk2 h ALA 114 Cb 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2jk2 h ALA 114 CO -0.06 0.10 -0.09 1.25 0.00 0.00 0.00 179.25 180.44 2jk2 h HIS 115 N 0.72 0.53 -0.72 0.00 6.17 -1.05 -1.10 115.15 119.70 2jk2 h HIS 115 Ca 0.25 -0.13 0.02 0.00 0.71 0.00 0.00 60.37 61.22 2jk2 h HIS 115 Cb 0.04 -0.12 -0.04 0.00 2.52 0.00 0.00 27.41 29.80 2jk2 h HIS 115 CO -0.06 0.73 0.46 0.00 0.71 0.00 0.00 177.93 179.77 2jk2 h ALA 116 N 0.72 0.93 -0.45 5.26 0.00 -0.83 -0.44 119.26 124.46 2jk2 h ALA 116 Ca 0.05 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 2jk2 h ALA 116 Cb 0.58 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2jk2 h ALA 116 CO 0.03 0.25 -0.24 -0.07 0.00 0.00 0.00 179.25 179.22 2jk2 h LEU 117 N 0.90 0.99 -1.48 0.00 3.38 -1.24 -1.40 115.31 116.46 2jk2 h LEU 117 Ca 0.28 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2jk2 h LEU 117 Cb -0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2jk2 h LEU 117 CO -0.10 1.18 0.22 0.00 0.09 0.00 0.00 178.44 179.83 2jk2 h ALA 118 N 0.84 1.60 -0.15 1.53 0.00 -0.76 -2.28 119.26 120.04 2jk2 h ALA 118 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jk2 h ALA 118 Cb 0.82 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2jk2 h ALA 118 CO 0.07 0.33 0.00 0.39 0.00 0.00 0.00 179.25 180.04 2jk2 n GLU 119 N -4.42 1.60 -0.56 0.00 -0.58 -0.21 -4.92 120.64 111.54 2jk2 n GLU 119 Ca 0.03 -0.90 0.00 0.00 -0.42 0.00 0.00 57.16 55.87 2jk2 n GLU 119 Cb 0.10 -1.36 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 2jk2 n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jk2 n GLY 120 N 1.05 0.67 3.89 0.62 0.00 -0.86 -4.89 105.19 105.67 2jk2 n GLY 120 Ca 0.15 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 2jk2 n GLY 120 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jk2 s LEU 121 N 0.00 4.22 0.44 0.99 2.96 -0.56 -5.02 118.68 121.71 2jk2 s LEU 121 Ca 0.00 0.70 -0.14 0.00 -0.22 0.00 0.00 54.13 54.47 2jk2 s LEU 121 Cb 0.00 -3.44 -0.07 0.00 0.50 0.00 0.00 46.19 43.17 2jk2 s LEU 121 CO 0.00 -0.00 0.86 -0.83 -1.32 0.00 0.00 176.35 175.06 2jk2 s GLY 122 N -2.45 2.04 -0.09 7.98 0.00 -0.60 -4.20 107.32 110.00 2jk2 s GLY 122 Ca 0.43 -0.00 0.02 0.00 0.00 0.00 0.00 44.72 45.17 2jk2 s GLY 122 CO 0.24 0.23 -0.15 0.14 0.00 0.00 0.00 173.10 173.56 2jk2 s VAL 123 N -2.43 1.41 -0.51 1.40 1.01 -0.18 -1.20 120.40 119.90 2jk2 s VAL 123 Ca 0.55 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 61.74 2jk2 s VAL 123 Cb -0.10 -1.28 0.07 0.00 0.00 0.00 0.00 36.38 35.07 2jk2 s VAL 123 CO 0.29 0.42 0.55 -0.63 0.00 0.00 0.00 175.10 175.73 2jk2 s ILE 124 N 0.81 5.01 -0.29 2.22 1.01 -0.38 -0.90 121.20 128.68 2jk2 s ILE 124 Ca -0.11 -0.80 -0.11 0.00 0.00 0.00 0.00 60.65 59.63 2jk2 s ILE 124 Cb -0.16 -4.26 -0.05 0.00 0.01 0.00 0.00 42.46 38.01 2jk2 s ILE 124 CO 0.02 -0.77 0.20 0.00 0.00 0.00 0.00 174.94 174.39 2jk2 s ALA 125 N 2.24 3.52 -0.07 9.38 0.00 0.39 -1.10 121.76 136.12 2jk2 s ALA 125 Ca 0.10 -1.13 -0.10 0.00 0.00 0.00 0.00 51.96 50.83 2jk2 s ALA 125 Cb -0.22 -2.50 -0.05 0.00 0.00 0.00 0.00 23.12 20.35 2jk2 s ALA 125 CO 0.09 -0.60 0.26 0.00 0.00 0.00 0.00 175.76 175.51 2jk2 s ILE 127 N -1.04 0.13 0.00 0.00 -4.36 0.05 -4.63 121.20 111.35 2jk2 s ILE 127 Ca 0.19 -1.85 0.00 0.00 -0.26 0.00 0.00 60.65 58.73 2jk2 s ILE 127 Cb -0.14 -1.90 0.00 0.00 1.25 0.00 0.00 42.46 41.67 2jk2 s ILE 127 CO 0.08 -0.58 0.00 0.61 0.24 0.00 0.00 174.94 175.29 2jk2 n GLY 128 N -0.05 3.62 3.85 6.27 0.00 -1.26 -0.07 105.19 117.55 2jk2 n GLY 128 Ca -0.08 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 2jk2 n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2jk2 s GLU 129 N -2.10 3.20 0.79 1.61 1.03 -1.25 -4.82 118.70 117.15 2jk2 s GLU 129 Ca 0.00 -0.53 -0.11 0.00 0.03 0.00 0.00 54.97 54.36 2jk2 s GLU 129 Cb 0.00 -2.91 0.09 0.00 -0.80 0.00 0.00 34.13 30.51 2jk2 s GLU 129 CO 0.00 0.60 1.14 0.15 -1.33 0.00 0.00 175.26 175.82 2jk2 s LYS 130 N -2.36 1.86 0.16 -4.83 1.02 -1.26 -1.83 119.74 112.50 2jk2 s LYS 130 Ca 0.31 -0.10 -0.15 0.00 0.02 0.00 0.00 55.97 56.05 2jk2 s LYS 130 Cb -0.13 -2.02 0.04 0.00 -0.52 0.00 0.00 37.83 35.21 2jk2 s LYS 130 CO 0.24 -1.59 1.81 1.25 -0.92 0.00 0.00 175.35 176.14 2jk2 h LEU 131 N -0.98 0.57 -1.02 3.17 5.85 -1.82 -1.54 115.31 119.55 2jk2 h LEU 131 Ca -0.45 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.25 2jk2 h LEU 131 Cb 1.31 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 2jk2 h LEU 131 CO 0.60 0.44 0.66 -2.24 -0.34 0.00 0.00 178.44 177.56 2jk2 h ASP 132 N 0.65 1.13 -0.26 1.25 2.03 -1.96 0.74 116.42 120.00 2jk2 h ASP 132 Ca 0.18 -0.02 -0.16 0.00 -0.73 0.00 0.00 57.03 56.30 2jk2 h ASP 132 Cb -0.04 -0.27 -0.00 0.00 -0.83 0.00 0.00 39.33 38.19 2jk2 h ASP 132 CO -0.04 0.80 -0.44 -0.33 -1.03 0.00 0.00 179.24 178.20 2jk2 h GLU 133 N 1.32 0.76 0.08 4.15 5.08 -1.88 -0.71 114.58 123.39 2jk2 h GLU 133 Ca 0.38 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2jk2 h GLU 133 Cb -0.10 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2jk2 h GLU 133 CO -0.09 1.10 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.89 2jk2 h ARG 134 N 0.51 -0.10 -0.29 2.33 9.65 -0.91 0.15 114.38 125.72 2jk2 h ARG 134 Ca 0.02 0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 58.85 2jk2 h ARG 134 Cb 1.05 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.63 2jk2 h ARG 134 CO 0.10 -0.06 -0.04 0.93 2.80 0.00 0.00 179.97 183.69 2jk2 h GLU 135 N -0.10 0.45 0.00 0.20 4.39 -0.82 -1.67 114.58 117.02 2jk2 h GLU 135 Ca -0.01 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.59 2jk2 h GLU 135 Cb 0.08 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2jk2 h GLU 135 CO 0.02 0.51 0.00 0.00 -1.16 0.00 0.00 179.01 178.38 2jk2 n ALA 136 N -2.48 2.65 -1.03 3.43 0.00 -0.28 -4.89 120.51 117.92 2jk2 n ALA 136 Ca 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 53.44 53.25 2jk2 n ALA 136 Cb 0.26 -1.51 -0.00 0.00 0.00 0.00 0.00 19.45 18.19 2jk2 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jk2 n GLY 137 N 0.98 0.46 1.19 0.00 0.00 -0.63 -4.95 105.19 102.24 2jk2 n GLY 137 Ca 0.23 -1.03 0.07 0.00 0.00 0.00 0.00 46.02 45.29 2jk2 n GLY 137 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2jk2 n ILE 138 N -2.97 2.45 -0.07 -0.61 2.08 0.49 -4.67 119.36 116.06 2jk2 n ILE 138 Ca -0.01 -1.83 -0.09 0.00 0.56 0.00 0.00 62.75 61.39 2jk2 n ILE 138 Cb 0.03 -0.27 -0.03 0.00 -0.75 0.00 0.00 39.64 38.63 2jk2 n ILE 138 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 2jk2 h THR 139 N 2.25 0.27 -0.36 1.39 2.02 -1.82 -1.10 112.91 115.55 2jk2 h THR 139 Ca 0.03 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.18 2jk2 h THR 139 Cb 1.63 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 2jk2 h THR 139 CO 0.32 0.00 0.11 -0.33 0.37 0.00 0.00 175.52 176.00 2jk2 h GLU 140 N -0.30 0.56 -0.40 6.66 5.08 -1.94 -0.93 114.58 123.30 2jk2 h GLU 140 Ca 0.14 -0.12 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 2jk2 h GLU 140 Cb 0.53 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 2jk2 h GLU 140 CO -0.45 0.58 0.16 -0.22 -1.00 0.00 0.00 179.01 178.07 2jk2 h LYS 141 N 0.43 0.32 0.26 2.33 3.64 -1.84 -0.42 116.57 121.30 2jk2 h LYS 141 Ca 0.12 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2jk2 h LYS 141 Cb 0.25 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2jk2 h LYS 141 CO -0.00 0.21 -0.13 0.28 -2.27 0.00 0.00 179.45 177.54 2jk2 h VAL 142 N 0.33 0.77 -0.26 2.00 2.07 -1.04 -1.99 116.25 118.13 2jk2 h VAL 142 Ca 0.18 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 2jk2 h VAL 142 Cb 0.14 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2jk2 h VAL 142 CO -0.17 0.13 -0.13 0.58 0.02 0.00 0.00 177.57 178.00 2jk2 h VAL 143 N -0.69 1.22 -0.43 2.57 2.07 -1.16 -1.98 116.25 117.86 2jk2 h VAL 143 Ca -0.04 -0.98 -0.15 0.00 0.82 0.00 0.00 66.70 66.36 2jk2 h VAL 143 Cb 0.48 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2jk2 h VAL 143 CO 0.06 0.32 -0.31 -0.26 0.02 0.00 0.00 177.57 177.40 2jk2 h PHE 144 N 0.40 1.13 -0.41 1.57 0.04 -1.09 -1.12 116.94 117.47 2jk2 h PHE 144 Ca 0.08 -0.31 -0.03 0.00 2.80 0.00 0.00 57.97 60.50 2jk2 h PHE 144 Cb 0.47 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 2jk2 h PHE 144 CO 0.01 1.14 0.13 0.93 -0.60 0.00 0.00 178.31 179.92 2jk2 h GLU 145 N 0.80 0.63 -0.36 1.51 5.08 -1.08 0.95 114.58 122.10 2jk2 h GLU 145 Ca 0.08 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2jk2 h GLU 145 Cb 0.90 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 2jk2 h GLU 145 CO 0.08 0.63 0.21 1.96 -1.00 0.00 0.00 179.01 180.89 2jk2 h GLN 146 N 0.51 0.50 -0.26 2.33 4.20 -1.34 -2.50 115.11 118.56 2jk2 h GLN 146 Ca 0.13 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.68 2jk2 h GLN 146 Cb 0.26 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 2jk2 h GLN 146 CO -0.00 0.40 -0.28 1.15 -0.67 0.00 0.00 178.83 179.43 2jk2 h THR 147 N 0.47 1.27 -0.28 -0.54 2.02 -1.10 -2.90 112.91 111.85 2jk2 h THR 147 Ca 0.13 -1.33 0.03 0.00 0.77 0.00 0.00 66.41 66.01 2jk2 h THR 147 Cb 0.04 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 2jk2 h THR 147 CO -0.02 0.42 0.10 0.50 0.37 0.00 0.00 175.52 176.89 2jk2 h LYS 148 N 0.44 0.22 -0.14 6.66 3.64 -0.55 -0.38 116.57 126.46 2jk2 h LYS 148 Ca 0.06 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 2jk2 h LYS 148 Cb 0.71 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 2jk2 h LYS 148 CO 0.05 0.15 -0.27 0.28 -2.27 0.00 0.00 179.45 177.39 2jk2 h VAL 149 N 0.23 1.25 0.17 2.00 2.07 -1.35 -2.66 116.25 117.96 2jk2 h VAL 149 Ca 0.12 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 2jk2 h VAL 149 Cb 0.09 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2jk2 h VAL 149 CO -0.12 0.36 -0.08 0.40 0.02 0.00 0.00 177.57 178.14 2jk2 h ILE 150 N 0.23 0.94 -0.84 4.57 2.04 -1.26 -3.32 117.51 119.87 2jk2 h ILE 150 Ca 0.03 -0.82 0.10 0.00 1.00 0.00 0.00 64.86 65.18 2jk2 h ILE 150 Cb 0.60 1.42 -0.08 0.00 -0.74 0.00 0.00 36.82 38.02 2jk2 h ILE 150 CO 0.04 0.18 0.47 0.00 0.00 0.00 0.00 178.15 178.85 2jk2 h ALA 151 N 0.06 1.21 -0.90 1.87 0.00 -0.97 -0.06 119.26 120.46 2jk2 h ALA 151 Ca -0.02 0.04 0.20 0.00 0.00 0.00 0.00 54.91 55.13 2jk2 h ALA 151 Cb 0.47 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 2jk2 h ALA 151 CO 0.04 0.07 0.60 -0.44 0.00 0.00 0.00 179.25 179.52 2jk2 h ASP 152 N 0.77 0.39 -0.62 0.00 3.32 -1.58 -0.33 116.42 118.37 2jk2 h ASP 152 Ca 0.41 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.50 2jk2 h ASP 152 Cb 0.42 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.93 2jk2 h ASP 152 CO -0.27 0.16 0.00 0.59 -1.72 0.00 0.00 179.24 178.00 2jk2 n ASN 153 N -4.51 3.78 -4.18 6.45 3.02 -0.06 -4.77 115.26 114.99 2jk2 n ASN 153 Ca 0.19 -2.15 -0.33 0.00 -0.03 0.00 0.00 54.58 52.26 2jk2 n ASN 153 Cb 0.70 -0.48 -0.16 0.00 -0.61 0.00 0.00 39.78 39.24 2jk2 n ASN 153 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jk2 s VAL 154 N -1.39 2.36 -0.04 2.41 1.01 -0.14 -3.95 120.40 120.66 2jk2 s VAL 154 Ca 0.44 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.63 2jk2 s VAL 154 Cb 0.25 -2.00 0.10 0.00 0.00 0.00 0.00 36.38 34.73 2jk2 s VAL 154 CO 0.27 0.52 1.02 2.29 0.00 0.00 0.00 175.10 179.20 2jk2 n LYS 155 N 4.42 2.13 -3.15 2.72 2.85 -1.26 -4.91 118.16 120.97 2jk2 n LYS 155 Ca -0.20 -1.78 0.04 0.00 -1.05 0.00 0.00 58.31 55.32 2jk2 n LYS 155 Cb 0.51 -1.12 -0.01 0.00 -0.65 0.00 0.00 35.03 33.76 2jk2 n LYS 155 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2jk2 s ASP 156 N -1.57 -1.27 0.00 -5.58 2.15 -1.26 -5.05 116.67 104.09 2jk2 s ASP 156 Ca 0.11 0.67 0.29 0.00 0.43 0.00 0.00 52.55 54.05 2jk2 s ASP 156 Cb 0.09 2.02 1.26 0.00 -0.30 0.00 0.00 42.92 46.00 2jk2 s ASP 156 CO 0.01 -0.24 1.87 0.79 -0.17 0.00 0.00 175.17 177.44 2jk2 n TRP 157 N 5.43 0.00 -0.14 -5.34 7.02 -1.26 -4.15 117.44 118.99 2jk2 n TRP 157 Ca -0.01 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.60 2jk2 n TRP 157 Cb 0.52 -0.12 0.47 0.00 -2.42 0.00 0.00 31.31 29.76 2jk2 n TRP 157 CO 0.00 0.00 0.00 0.77 -2.02 0.00 0.00 177.69 176.44 2jk2 h SER 158 N 0.81 0.45 -0.36 -0.99 0.02 -1.98 -2.55 113.55 108.95 2jk2 h SER 158 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2jk2 h SER 158 Cb 0.34 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2jk2 h SER 158 CO 0.00 0.26 0.00 0.29 -1.14 0.00 0.00 176.83 176.24 2jk2 n LYS 159 N -4.48 3.15 -5.14 3.45 4.76 -1.26 -4.96 118.16 113.68 2jk2 n LYS 159 Ca 0.12 -2.64 -0.30 0.00 -2.87 0.00 0.00 58.31 52.62 2jk2 n LYS 159 Cb 0.41 -1.71 -0.17 0.00 -1.84 0.00 0.00 35.03 31.72 2jk2 n LYS 159 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2jk2 s VAL 160 N -2.16 1.90 -0.10 -0.18 0.11 -0.96 -1.02 120.40 117.99 2jk2 s VAL 160 Ca 0.39 -0.96 0.02 0.00 -2.93 0.00 0.00 61.98 58.50 2jk2 s VAL 160 Cb 0.28 -1.63 -0.01 0.00 -1.53 0.00 0.00 36.38 33.49 2jk2 s VAL 160 CO 0.13 0.53 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.58 2jk2 s VAL 161 N 0.12 2.79 -0.13 2.04 1.01 -0.08 -4.52 120.40 121.64 2jk2 s VAL 161 Ca -0.10 -0.77 -0.14 0.00 0.00 0.00 0.00 61.98 60.96 2jk2 s VAL 161 Cb -0.15 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 2jk2 s VAL 161 CO 0.06 0.55 0.32 -0.76 0.00 0.00 0.00 175.10 175.27 2jk2 s LEU 162 N 0.08 4.29 -0.20 3.92 1.43 -0.17 -0.46 118.68 127.57 2jk2 s LEU 162 Ca -0.07 0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 53.63 2jk2 s LEU 162 Cb -0.15 -2.42 0.01 0.00 0.03 0.00 0.00 46.19 43.66 2jk2 s LEU 162 CO 0.05 0.14 -0.14 0.00 0.23 0.00 0.00 176.35 176.63 2jk2 s ALA 163 N 0.18 2.52 -0.28 4.21 0.00 0.23 0.24 121.76 128.86 2jk2 s ALA 163 Ca 0.19 -1.23 -0.18 0.00 0.00 0.00 0.00 51.96 50.73 2jk2 s ALA 163 Cb -0.14 -1.39 -0.02 0.00 0.00 0.00 0.00 23.12 21.57 2jk2 s ALA 163 CO 0.06 -0.43 0.54 -0.47 0.00 0.00 0.00 175.76 175.46 2jk2 s TYR 164 N 1.35 3.25 -0.32 0.00 5.04 0.12 -0.77 117.35 126.01 2jk2 s TYR 164 Ca 0.05 0.59 -0.09 0.00 -2.44 0.00 0.00 57.07 55.17 2jk2 s TYR 164 Cb -0.14 -2.79 0.01 0.00 0.35 0.00 0.00 41.96 39.39 2jk2 s TYR 164 CO -0.09 -0.34 0.15 -1.21 -1.34 0.00 0.00 175.55 172.71 2jk2 s GLU 165 N 2.38 3.13 -1.23 4.97 2.02 0.90 0.15 118.70 131.02 2jk2 s GLU 165 Ca 0.22 -0.86 -0.20 0.00 0.02 0.00 0.00 54.97 54.15 2jk2 s GLU 165 Cb -0.15 -3.56 0.01 0.00 0.10 0.00 0.00 34.13 30.53 2jk2 s GLU 165 CO 0.10 -0.50 1.80 -1.25 0.02 0.00 0.00 175.26 175.42 2jk2 s PRO 166 N 1.56 3.38 0.52 0.39 0.04 -1.26 -3.91 135.00 135.72 2jk2 s PRO 166 Ca 0.03 -1.59 0.17 0.00 0.04 0.00 0.00 61.00 59.66 2jk2 s PRO 166 Cb -0.18 -5.41 1.30 0.00 0.04 0.00 0.00 34.50 30.25 2jk2 s PRO 166 CO 0.05 -2.91 2.14 0.28 0.04 0.00 0.00 177.00 176.61 2jk2 h VAL 167 N 5.93 0.96 0.00 -0.36 2.07 -1.84 0.07 116.25 123.08 2jk2 h VAL 167 Ca 0.34 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.78 2jk2 h VAL 167 Cb 0.91 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2jk2 h VAL 167 CO 1.37 0.02 0.00 -2.67 0.02 0.00 0.00 177.57 176.31 2jk2 n TRP 168 N -4.44 0.76 0.45 1.57 4.27 -0.76 -1.80 117.44 117.49 2jk2 n TRP 168 Ca -0.03 0.38 0.08 0.00 -3.89 0.00 0.00 57.50 54.04 2jk2 n TRP 168 Cb 0.11 -1.10 0.10 0.00 -1.36 0.00 0.00 31.31 29.06 2jk2 n TRP 168 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2jk2 n ALA 169 N -1.78 2.42 -2.96 -1.67 0.00 0.01 -4.56 120.51 111.97 2jk2 n ALA 169 Ca -0.01 -0.75 -0.44 0.00 0.00 0.00 0.00 53.44 52.24 2jk2 n ALA 169 Cb 0.07 -0.55 -0.05 0.00 0.00 0.00 0.00 19.45 18.93 2jk2 n ALA 169 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2jk2 s ILE 170 N -1.24 4.69 -1.27 0.00 1.01 -0.75 -4.34 121.20 119.30 2jk2 s ILE 170 Ca 0.21 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.19 2jk2 s ILE 170 Cb 0.14 -4.50 0.00 0.00 0.01 0.00 0.00 42.46 38.11 2jk2 s ILE 170 CO 0.20 -1.15 0.00 0.61 0.00 0.00 0.00 174.94 174.61 2jk2 n GLY 171 N 5.26 1.25 0.02 6.18 0.00 -1.26 -4.87 105.19 111.77 2jk2 n GLY 171 Ca -0.07 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 45.81 2jk2 n GLY 171 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jk2 n THR 172 N -2.50 0.08 -0.27 2.61 -2.24 -1.26 -4.96 114.28 105.74 2jk2 n THR 172 Ca -0.12 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2jk2 n THR 172 Cb 0.47 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 2jk2 n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jk2 n GLY 173 N 1.35 0.64 3.61 3.38 0.00 -1.26 -5.07 105.19 107.83 2jk2 n GLY 173 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2jk2 n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jk2 s LYS 174 N -0.73 2.23 0.08 1.61 -0.14 -1.26 -5.15 119.74 116.39 2jk2 s LYS 174 Ca 0.00 -1.02 0.04 0.00 -1.36 0.00 0.00 55.97 53.63 2jk2 s LYS 174 Cb 0.00 -2.34 -0.03 0.00 -1.68 0.00 0.00 37.83 33.78 2jk2 s LYS 174 CO 0.00 0.50 -0.12 0.95 -0.76 0.00 0.00 175.35 175.92 2jk2 s THR 175 N -1.34 1.01 -0.13 2.17 -4.23 -1.26 -4.41 115.64 107.45 2jk2 s THR 175 Ca 0.23 -1.45 -0.17 0.00 -1.18 0.00 0.00 61.69 59.12 2jk2 s THR 175 Cb -0.11 -1.18 -0.04 0.00 1.34 0.00 0.00 72.50 72.51 2jk2 s THR 175 CO 0.15 -0.39 0.44 0.00 -0.54 0.00 0.00 174.62 174.29 2jk2 s ALA 176 N -1.81 3.50 0.55 3.99 0.00 -1.26 -5.03 121.76 121.70 2jk2 s ALA 176 Ca 0.01 -0.24 -0.15 0.00 0.00 0.00 0.00 51.96 51.57 2jk2 s ALA 176 Cb -0.07 -2.59 -0.07 0.00 0.00 0.00 0.00 23.12 20.40 2jk2 s ALA 176 CO 0.01 0.03 1.00 0.95 0.00 0.00 0.00 175.76 177.75 2jk2 s THR 177 N 0.57 4.46 0.31 0.00 -4.23 -1.26 -4.92 115.64 110.57 2jk2 s THR 177 Ca 0.24 1.11 0.07 0.00 -1.18 0.00 0.00 61.69 61.92 2jk2 s THR 177 Cb -0.15 -3.69 0.30 0.00 1.34 0.00 0.00 72.50 70.30 2jk2 s THR 177 CO 0.09 -0.74 1.77 -0.65 -0.54 0.00 0.00 174.62 174.54 2jk2 h PRO 178 N 0.62 0.72 -0.61 3.99 0.11 -1.98 -0.83 132.00 134.02 2jk2 h PRO 178 Ca -0.46 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.64 2jk2 h PRO 178 Cb 1.19 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 2jk2 h PRO 178 CO 0.61 0.47 0.36 1.96 -0.21 0.00 0.00 178.00 181.19 2jk2 h GLN 179 N 0.74 0.67 -0.54 1.05 7.50 -1.97 0.64 115.11 123.20 2jk2 h GLN 179 Ca 0.59 -0.04 -0.10 0.00 0.50 0.00 0.00 58.65 59.59 2jk2 h GLN 179 Cb 0.95 -0.15 -0.02 0.00 0.05 0.00 0.00 27.48 28.31 2jk2 h GLN 179 CO -0.40 0.44 -0.08 1.96 -1.50 0.00 0.00 178.83 179.26 2jk2 h GLN 180 N 0.69 0.98 0.40 1.46 4.20 -1.60 0.02 115.11 121.27 2jk2 h GLN 180 Ca 0.25 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 2jk2 h GLN 180 Cb 0.08 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 2jk2 h GLN 180 CO -0.13 1.01 -0.22 0.00 -0.67 0.00 0.00 178.83 178.82 2jk2 h ALA 181 N 1.02 -0.58 -0.75 3.87 0.00 -0.80 -2.73 119.26 119.29 2jk2 h ALA 181 Ca 0.15 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.07 2jk2 h ALA 181 Cb 0.62 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.58 2jk2 h ALA 181 CO 0.04 -0.83 0.32 0.37 0.00 0.00 0.00 179.25 179.15 2jk2 h GLN 182 N -0.58 0.48 -0.42 0.00 5.75 -0.70 -1.38 115.11 118.25 2jk2 h GLN 182 Ca -0.05 -0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.49 2jk2 h GLN 182 Cb 0.47 -0.11 -0.06 0.00 1.07 0.00 0.00 27.48 28.85 2jk2 h GLN 182 CO 0.07 0.32 0.09 1.49 -2.65 0.00 0.00 178.83 178.14 2jk2 h GLU 183 N 0.49 0.22 -0.16 1.69 4.81 -0.87 -0.35 114.58 120.40 2jk2 h GLU 183 Ca 0.40 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.53 2jk2 h GLU 183 Cb 0.56 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 2jk2 h GLU 183 CO -0.37 0.15 -0.22 0.28 -0.73 0.00 0.00 179.01 178.12 2jk2 h VAL 184 N 0.23 1.35 -0.91 0.32 2.07 -1.12 -2.50 116.25 115.70 2jk2 h VAL 184 Ca 0.21 -1.44 0.10 0.00 0.82 0.00 0.00 66.70 66.39 2jk2 h VAL 184 Cb 0.25 1.90 -0.07 0.00 -1.52 0.00 0.00 31.29 31.86 2jk2 h VAL 184 CO -0.26 0.43 0.58 0.45 0.02 0.00 0.00 177.57 178.79 2jk2 h HIS 185 N 0.07 0.98 -0.52 1.57 3.86 -1.09 0.15 115.15 120.17 2jk2 h HIS 185 Ca 0.02 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 2jk2 h HIS 185 Cb 0.79 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.92 2jk2 h HIS 185 CO 0.09 0.44 0.18 1.49 0.86 0.00 0.00 177.93 180.99 2jk2 h GLU 186 N 0.90 0.80 -0.40 2.45 4.81 -1.01 -1.53 114.58 120.60 2jk2 h GLU 186 Ca 0.42 -0.17 -0.07 0.00 -0.13 0.00 0.00 59.36 59.42 2jk2 h GLU 186 Cb 0.42 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2jk2 h GLU 186 CO -0.19 0.73 -0.02 0.87 -0.73 0.00 0.00 179.01 179.68 2jk2 h LYS 187 N 0.71 0.72 -0.04 1.92 1.79 -0.66 -1.17 116.57 119.84 2jk2 h LYS 187 Ca 0.17 -0.24 0.01 0.00 -2.18 0.00 0.00 60.65 58.41 2jk2 h LYS 187 Cb 0.26 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 2jk2 h LYS 187 CO -0.01 0.82 -0.04 -0.07 -1.08 0.00 0.00 179.45 179.07 2jk2 h LEU 188 N 0.55 -0.13 -1.28 2.94 4.07 -0.74 0.24 115.31 120.96 2jk2 h LEU 188 Ca 0.11 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 2jk2 h LEU 188 Cb 0.50 0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.28 2jk2 h LEU 188 CO 0.02 -0.06 0.29 -0.09 -1.08 0.00 0.00 178.44 177.52 2jk2 h ARG 189 N -0.06 0.78 -0.60 1.13 2.43 -1.22 -1.15 114.38 115.70 2jk2 h ARG 189 Ca 0.03 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 2jk2 h ARG 189 Cb 0.10 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 2jk2 h ARG 189 CO -0.07 0.60 0.06 0.78 -1.51 0.00 0.00 179.97 179.83 2jk2 h GLY 190 N 0.87 1.08 1.13 2.80 0.00 -0.83 0.33 103.07 108.45 2jk2 h GLY 190 Ca 0.20 -0.72 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 2jk2 h GLY 190 CO -0.03 0.67 0.51 -0.25 0.00 0.00 0.00 176.54 177.44 2jk2 h TRP 191 N 0.93 1.12 0.46 5.60 7.01 -0.39 -3.23 115.95 127.46 2jk2 h TRP 191 Ca 0.18 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.16 2jk2 h TRP 191 Cb 0.45 -0.37 0.00 0.00 -2.10 0.00 0.00 29.16 27.15 2jk2 h TRP 191 CO 0.03 0.75 -0.22 -0.07 -2.79 0.00 0.00 178.44 176.13 2jk2 h LEU 192 N 1.17 -0.53 -1.40 0.65 3.38 -0.58 -3.26 115.31 114.75 2jk2 h LEU 192 Ca 0.31 -0.01 0.23 0.00 0.09 0.00 0.00 57.88 58.50 2jk2 h LEU 192 Cb -0.04 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.76 2jk2 h LEU 192 CO -0.06 -0.10 0.63 0.50 0.09 0.00 0.00 178.44 179.50 2jk2 h LYS 193 N -1.15 0.43 0.00 1.13 3.64 -0.39 3.06 116.57 123.29 2jk2 h LYS 193 Ca -0.06 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.23 2jk2 h LYS 193 Cb 0.50 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2jk2 h LYS 193 CO 0.10 0.29 -0.29 1.03 -2.27 0.00 0.00 179.45 178.31 2jk2 h SER 194 N 0.44 0.00 -0.00 4.20 0.87 -1.71 -3.37 113.55 113.98 2jk2 h SER 194 Ca 0.53 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.09 2jk2 h SER 194 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2jk2 h SER 194 CO -0.24 0.29 -0.56 0.59 -0.53 0.00 0.00 176.83 176.37 2jk2 n ASN 195 N -3.31 0.58 0.00 6.23 5.03 1.00 -4.90 115.26 119.89 2jk2 n ASN 195 Ca 0.01 -0.79 0.00 0.00 0.87 0.00 0.00 54.58 54.67 2jk2 n ASN 195 Cb 0.54 0.99 0.00 0.00 -1.02 0.00 0.00 39.78 40.29 2jk2 n ASN 195 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 2jk2 n VAL 196 N -1.27 0.00 -3.80 2.41 0.31 -0.15 -5.05 118.33 110.78 2jk2 n VAL 196 Ca 0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.26 2jk2 n VAL 196 Cb 0.19 -0.13 -0.05 0.00 -0.91 0.00 0.00 33.84 32.94 2jk2 n VAL 196 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2jk2 s SER 197 N 1.00 -0.15 0.37 4.52 1.04 -1.26 -4.97 113.70 114.25 2jk2 s SER 197 Ca 0.00 -0.60 0.05 0.00 0.48 0.00 0.00 55.95 55.88 2jk2 s SER 197 Cb 0.00 0.52 0.73 0.00 0.10 0.00 0.00 66.02 67.38 2jk2 s SER 197 CO 0.00 -0.98 1.99 0.44 0.98 0.00 0.00 173.24 175.67 2jk2 h ASP 198 N 2.33 0.53 0.01 7.02 3.45 -1.95 -1.63 116.42 126.18 2jk2 h ASP 198 Ca -0.30 -0.04 -0.09 0.00 0.43 0.00 0.00 57.03 57.03 2jk2 h ASP 198 Cb 1.25 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.87 2jk2 h ASP 198 CO 0.42 0.45 -0.28 0.00 -1.57 0.00 0.00 179.24 178.26 2jk2 h ALA 199 N 1.64 1.13 0.00 3.45 0.00 -1.94 -1.38 119.26 122.16 2jk2 h ALA 199 Ca 0.15 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 2jk2 h ALA 199 Cb 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2jk2 h ALA 199 CO -0.02 0.55 -0.50 0.28 0.00 0.00 0.00 179.25 179.55 2jk2 h VAL 200 N 0.37 0.75 -0.31 0.00 2.07 -1.83 0.70 116.25 117.99 2jk2 h VAL 200 Ca 0.05 -1.71 0.07 0.00 0.82 0.00 0.00 66.70 65.92 2jk2 h VAL 200 Cb 0.68 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 2jk2 h VAL 200 CO 0.05 0.25 0.22 0.00 0.02 0.00 0.00 177.57 178.11 2jk2 h ALA 201 N -0.58 2.13 0.00 1.67 0.00 -1.46 1.91 119.26 122.93 2jk2 h ALA 201 Ca -0.11 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 2jk2 h ALA 201 Cb 0.78 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2jk2 h ALA 201 CO -0.07 -0.20 -0.72 0.37 0.00 0.00 0.00 179.25 178.63 2jk2 h GLN 202 N 0.13 0.00 0.00 0.00 -0.00 -1.32 -3.35 115.11 110.57 2jk2 h GLN 202 Ca 0.14 0.00 -0.17 0.00 -0.00 0.00 0.00 58.65 58.62 2jk2 h GLN 202 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.85 2jk2 h GLN 202 CO -0.02 0.72 -2.07 -1.13 0.00 0.00 0.00 178.83 176.33 2jk2 n SER 203 N -3.67 0.11 -4.67 -0.69 3.41 0.35 -4.74 113.62 103.72 2jk2 n SER 203 Ca -0.01 0.05 -0.42 0.00 -0.26 0.00 0.00 58.87 58.23 2jk2 n SER 203 Cb 0.71 1.36 -0.03 0.00 -0.26 0.00 0.00 64.21 65.99 2jk2 n SER 203 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2jk2 s THR 204 N -3.03 3.76 -0.01 6.66 2.01 0.62 -4.78 115.64 120.88 2jk2 s THR 204 Ca -0.08 1.04 -0.30 0.00 0.31 0.00 0.00 61.69 62.66 2jk2 s THR 204 Cb 0.10 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 2jk2 s THR 204 CO 0.86 -0.05 1.07 -0.13 -0.69 0.00 0.00 174.62 175.68 2jk2 s ARG 205 N 3.16 4.48 -0.31 4.92 0.52 -1.26 -4.94 118.95 125.53 2jk2 s ARG 205 Ca 0.65 1.54 -0.01 0.00 -0.52 0.00 0.00 55.73 57.39 2jk2 s ARG 205 Cb -0.30 -3.46 0.06 0.00 0.52 0.00 0.00 34.95 31.77 2jk2 s ARG 205 CO 0.25 -0.19 0.01 0.42 0.02 0.00 0.00 175.30 175.81 2jk2 s ILE 206 N 1.32 2.92 0.14 1.52 1.01 -1.26 -1.00 121.20 125.85 2jk2 s ILE 206 Ca 0.54 -1.48 0.02 0.00 0.00 0.00 0.00 60.65 59.73 2jk2 s ILE 206 Cb -0.23 -2.72 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 2jk2 s ILE 206 CO 0.26 -0.16 0.25 0.27 0.00 0.00 0.00 174.94 175.56 2jk2 s ILE 207 N 1.22 5.22 -0.21 2.92 -4.36 0.14 -1.61 121.20 124.51 2jk2 s ILE 207 Ca -0.04 -0.69 -0.13 0.00 -0.26 0.00 0.00 60.65 59.52 2jk2 s ILE 207 Cb -0.20 -3.66 -0.04 0.00 1.25 0.00 0.00 42.46 39.80 2jk2 s ILE 207 CO -0.02 -0.06 0.28 -0.47 0.24 0.00 0.00 174.94 174.92 2jk2 s TYR 208 N -1.70 3.36 -0.29 1.37 5.04 0.38 -0.70 117.35 124.80 2jk2 s TYR 208 Ca 0.34 0.45 0.16 0.00 -2.44 0.00 0.00 57.07 55.58 2jk2 s TYR 208 Cb -0.11 -2.39 0.53 0.00 0.35 0.00 0.00 41.96 40.33 2jk2 s TYR 208 CO 0.28 0.05 1.43 0.41 -1.34 0.00 0.00 175.55 176.38 2jk2 n GLY 209 N 4.00 3.79 0.00 8.97 0.00 0.12 -1.27 105.19 120.81 2jk2 n GLY 209 Ca -0.12 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.95 2jk2 n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jk2 n GLY 210 N -0.28 -0.25 3.63 -0.02 0.00 -1.26 -4.66 105.19 102.35 2jk2 n GLY 210 Ca 0.21 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.06 2jk2 n GLY 210 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jk2 s SER 211 N -1.00 6.24 -0.11 1.61 0.15 -1.26 -4.78 113.70 114.56 2jk2 s SER 211 Ca 0.00 1.74 0.02 0.00 0.70 0.00 0.00 55.95 58.41 2jk2 s SER 211 Cb 0.00 -2.53 0.01 0.00 -1.71 0.00 0.00 66.02 61.79 2jk2 s SER 211 CO 0.00 -1.35 -0.18 -0.69 1.20 0.00 0.00 173.24 172.22 2jk2 s VAL 212 N 5.60 1.66 0.29 4.45 1.01 -1.26 -4.99 120.40 127.16 2jk2 s VAL 212 Ca 0.77 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 62.02 2jk2 s VAL 212 Cb -0.28 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 2jk2 s VAL 212 CO 0.31 0.47 0.15 0.42 0.00 0.00 0.00 175.10 176.46 2jk2 s THR 213 N 0.77 0.33 0.44 3.92 -4.23 -1.26 -4.72 115.64 110.90 2jk2 s THR 213 Ca -0.10 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.59 2jk2 s THR 213 Cb -0.16 -2.53 0.37 0.00 1.34 0.00 0.00 72.50 71.52 2jk2 s THR 213 CO 0.01 0.00 1.92 1.23 -0.54 0.00 0.00 174.62 177.24 2jk2 h GLY 214 N 2.27 0.60 2.00 3.99 0.00 -1.93 -0.67 103.07 109.32 2jk2 h GLY 214 Ca -0.34 -0.15 -0.09 0.00 0.00 0.00 0.00 47.33 46.75 2jk2 h GLY 214 CO 0.53 0.04 -0.42 0.00 0.00 0.00 0.00 176.54 176.69 2jk2 h ALA 215 N 1.65 0.88 0.00 3.60 0.00 -1.98 -3.36 119.26 120.04 2jk2 h ALA 215 Ca 0.37 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jk2 h ALA 215 Cb 0.96 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2jk2 h ALA 215 CO -0.11 0.52 -0.74 0.25 0.00 0.00 0.00 179.25 179.18 2jk2 n THR 216 N -3.42 0.00 -0.20 0.00 -2.24 -0.88 -4.76 114.28 102.78 2jk2 n THR 216 Ca 0.00 -0.26 -0.07 0.00 -2.27 0.00 0.00 64.05 61.46 2jk2 n THR 216 Cb 0.58 0.71 0.08 0.00 -2.10 0.00 0.00 70.33 69.60 2jk2 n THR 216 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jk2 h LYS 218 N 0.95 0.33 -0.53 0.00 6.56 -1.82 -0.17 116.57 121.88 2jk2 h LYS 218 Ca 0.19 -0.02 -0.10 0.00 -1.06 0.00 0.00 60.65 59.65 2jk2 h LYS 218 Cb 0.45 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 32.02 2jk2 h LYS 218 CO 0.02 0.24 -0.06 1.49 -2.06 0.00 0.00 179.45 179.08 2jk2 h GLU 219 N 0.32 0.96 -0.33 3.15 4.81 -1.86 -2.64 114.58 118.99 2jk2 h GLU 219 Ca 0.09 -0.32 -0.08 0.00 -0.13 0.00 0.00 59.36 58.92 2jk2 h GLU 219 Cb -0.01 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2jk2 h GLU 219 CO -0.02 0.98 -0.11 -0.07 -0.73 0.00 0.00 179.01 179.07 2jk2 h LEU 220 N 0.87 0.66 -2.39 1.64 3.38 -1.29 -2.92 115.31 115.26 2jk2 h LEU 220 Ca 0.15 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2jk2 h LEU 220 Cb 0.59 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2jk2 h LEU 220 CO 0.04 0.89 -0.03 0.00 0.09 0.00 0.00 178.44 179.43 2jk2 h ALA 221 N 0.79 1.20 -0.00 1.53 0.00 -0.91 -2.26 119.26 119.60 2jk2 h ALA 221 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2jk2 h ALA 221 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2jk2 h ALA 221 CO 0.04 0.04 -0.12 -1.13 0.00 0.00 0.00 179.25 178.08 2jk2 n SER 222 N -3.41 0.29 -4.73 0.00 3.41 -1.01 -4.86 113.62 103.31 2jk2 n SER 222 Ca -0.02 -0.20 -0.41 0.00 -0.26 0.00 0.00 58.87 57.97 2jk2 n SER 222 Cb 0.15 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 63.90 2jk2 n SER 222 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2jk2 s GLN 223 N -2.69 4.44 0.34 4.33 -1.52 -0.85 -4.94 119.66 118.77 2jk2 s GLN 223 Ca 0.23 1.93 0.12 0.00 -1.95 0.00 0.00 55.36 55.69 2jk2 s GLN 223 Cb 0.19 -3.24 0.97 0.00 -0.22 0.00 0.00 33.01 30.71 2jk2 s GLN 223 CO 0.52 -0.19 1.72 -1.35 -0.25 0.00 0.00 175.29 175.74 2jk2 h PRO 224 N 5.65 0.48 -0.40 2.91 0.11 -1.90 -2.17 132.00 136.68 2jk2 h PRO 224 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2jk2 h PRO 224 Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2jk2 h PRO 224 CO 0.77 0.32 0.00 -0.25 -0.21 0.00 0.00 178.00 178.63 2jk2 n ASP 225 N -4.87 3.32 -4.49 -2.05 9.92 -1.26 -4.90 116.55 112.22 2jk2 n ASP 225 Ca 0.28 -2.19 -0.42 0.00 -0.53 0.00 0.00 54.79 51.93 2jk2 n ASP 225 Cb 0.83 -0.33 -0.10 0.00 -0.64 0.00 0.00 41.12 40.87 2jk2 n ASP 225 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2jk2 s VAL 226 N -1.35 5.24 -2.26 2.53 1.01 -0.82 -4.64 120.40 120.12 2jk2 s VAL 226 Ca 0.31 -0.45 0.22 0.00 0.00 0.00 0.00 61.98 62.06 2jk2 s VAL 226 Cb 0.18 -3.81 0.47 0.00 0.00 0.00 0.00 36.38 33.22 2jk2 s VAL 226 CO 0.17 -0.16 1.42 0.47 0.00 0.00 0.00 175.10 177.00 2jk2 n ASP 227 N 5.13 3.55 0.00 3.32 8.00 -0.64 -4.75 116.55 131.16 2jk2 n ASP 227 Ca -0.12 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.40 2jk2 n ASP 227 Cb 0.48 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 2jk2 n ASP 227 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jk2 n GLY 228 N 1.49 0.59 2.98 0.44 0.00 -1.26 -1.46 105.19 107.96 2jk2 n GLY 228 Ca 0.20 -1.65 -0.10 0.00 0.00 0.00 0.00 46.02 44.47 2jk2 n GLY 228 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jk2 s PHE 229 N -3.15 0.30 -0.40 1.61 0.08 -0.07 -0.47 117.98 115.89 2jk2 s PHE 229 Ca 0.00 -0.45 -0.06 0.00 0.12 0.00 0.00 56.93 56.54 2jk2 s PHE 229 Cb 0.00 -0.21 0.08 0.00 -0.57 0.00 0.00 43.02 42.33 2jk2 s PHE 229 CO 0.00 -0.15 0.20 -1.17 -0.10 0.00 0.00 175.22 174.01 2jk2 s LEU 230 N -1.27 4.99 0.04 -0.37 2.96 -0.39 -0.68 118.68 123.96 2jk2 s LEU 230 Ca -0.13 -1.63 -0.19 0.00 -0.22 0.00 0.00 54.13 51.97 2jk2 s LEU 230 Cb -0.09 -1.90 -0.06 0.00 0.50 0.00 0.00 46.19 44.64 2jk2 s LEU 230 CO -0.01 -0.50 0.56 -0.69 -1.32 0.00 0.00 176.35 174.40 2jk2 s VAL 231 N 1.31 4.81 0.00 1.68 1.01 0.10 -4.35 120.40 124.96 2jk2 s VAL 231 Ca 0.03 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.21 2jk2 s VAL 231 Cb -0.22 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.26 2jk2 s VAL 231 CO -0.00 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.22 2jk2 n GLY 232 N 1.94 0.81 0.36 4.51 0.00 -1.26 -0.01 105.19 111.54 2jk2 n GLY 232 Ca -0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.99 2jk2 n GLY 232 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jk2 h GLY 233 N 0.00 1.31 2.00 -0.02 0.00 -1.93 -0.28 103.07 104.14 2jk2 h GLY 233 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2jk2 h GLY 233 CO 0.00 0.23 0.00 0.00 0.00 0.00 0.00 176.54 176.77 2jk2 h ALA 234 N 1.54 1.00 0.00 3.60 0.00 -1.90 -2.24 119.26 121.26 2jk2 h ALA 234 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2jk2 h ALA 234 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2jk2 h ALA 234 CO -0.17 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.74 2jk2 h SER 235 N 0.00 0.00 -0.25 0.00 4.64 -1.31 -2.61 113.55 114.02 2jk2 h SER 235 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jk2 h SER 235 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2jk2 h SER 235 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 2jk2 n LEU 236 N -2.89 2.22 -4.28 5.97 4.77 -0.84 -4.85 117.00 117.09 2jk2 n LEU 236 Ca -0.00 -0.95 -0.17 0.00 -0.03 0.00 0.00 56.01 54.85 2jk2 n LEU 236 Cb 0.21 -0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 41.04 2jk2 n LEU 236 CO 0.23 0.48 -0.43 -0.54 -1.33 0.00 0.00 177.39 175.79 2jk2 s LYS 237 N -1.68 1.15 0.64 3.23 1.02 -1.00 -4.94 119.74 118.16 2jk2 s LYS 237 Ca 0.33 -1.45 0.30 0.00 0.02 0.00 0.00 55.97 55.18 2jk2 s LYS 237 Cb 0.19 -0.89 1.61 0.00 -0.52 0.00 0.00 37.83 38.21 2jk2 s LYS 237 CO 0.27 0.14 1.94 -1.35 -0.92 0.00 0.00 175.35 175.43 2jk2 h PRO 238 N 2.90 0.00 -0.59 -1.68 0.11 -1.92 -0.67 132.00 130.14 2jk2 h PRO 238 Ca -0.38 0.00 0.17 0.00 0.11 0.00 0.00 66.00 65.90 2jk2 h PRO 238 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 2jk2 h PRO 238 CO 0.59 0.00 0.49 1.49 -0.21 0.00 0.00 178.00 180.36 2jk2 h GLU 239 N 0.00 0.00 -0.72 1.05 4.81 -1.96 -1.36 114.58 116.41 2jk2 h GLU 239 Ca 0.07 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.38 2jk2 h GLU 239 Cb 0.78 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.11 2jk2 h GLU 239 CO -0.00 0.00 0.47 0.35 -0.73 0.00 0.00 179.01 179.10 2jk2 h PHE 240 N 0.00 0.68 -0.55 0.92 3.57 -0.98 -1.97 116.94 118.61 2jk2 h PHE 240 Ca 0.28 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.76 2jk2 h PHE 240 Cb 1.25 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 2jk2 h PHE 240 CO 0.00 0.33 0.18 0.28 -2.23 0.00 0.00 178.31 176.87 2jk2 h VAL 241 N 0.64 1.23 -0.90 1.41 2.07 -1.46 -0.18 116.25 119.07 2jk2 h VAL 241 Ca 0.32 -0.77 0.08 0.00 0.82 0.00 0.00 66.70 67.16 2jk2 h VAL 241 Cb 0.42 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 2jk2 h VAL 241 CO -0.11 0.29 0.58 0.44 0.02 0.00 0.00 177.57 178.79 2jk2 h ASP 242 N 0.76 0.85 0.05 0.57 3.32 -1.49 -1.12 116.42 119.36 2jk2 h ASP 242 Ca 0.18 0.02 -0.18 0.00 0.02 0.00 0.00 57.03 57.06 2jk2 h ASP 242 Cb 0.26 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 2jk2 h ASP 242 CO -0.01 0.52 -0.66 0.40 -1.72 0.00 0.00 179.24 177.77 2jk2 h ILE 243 N 0.95 1.33 -0.99 0.35 2.04 -1.11 -2.49 117.51 117.58 2jk2 h ILE 243 Ca 0.41 -1.95 0.11 0.00 1.00 0.00 0.00 64.86 64.43 2jk2 h ILE 243 Cb 0.32 1.92 -0.08 0.00 -0.74 0.00 0.00 36.82 38.24 2jk2 h ILE 243 CO -0.17 0.60 0.63 0.40 0.00 0.00 0.00 178.15 179.62 2jk2 h ILE 244 N 0.42 0.95 -0.03 -0.67 2.04 -0.59 -2.44 117.51 117.18 2jk2 h ILE 244 Ca -0.02 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.50 2jk2 h ILE 244 Cb 1.24 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2jk2 h ILE 244 CO 0.13 0.18 0.00 0.59 0.00 0.00 0.00 178.15 179.05 2jk2 n ASN 245 N -4.59 0.28 -0.30 1.72 3.02 -0.46 -4.52 115.26 110.40 2jk2 n ASN 245 Ca 0.18 -1.57 0.17 0.00 -0.03 0.00 0.00 54.58 53.33 2jk2 n ASN 245 Cb 0.33 -0.02 0.44 0.00 -0.61 0.00 0.00 39.78 39.91 2jk2 n ASN 245 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jk2 h ALA 246 N 3.54 2.00 -0.05 5.41 0.00 -1.23 0.19 119.26 129.14 2jk2 h ALA 246 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2jk2 h ALA 246 Cb 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2jk2 h ALA 246 CO 0.00 -0.34 0.00 1.63 0.00 0.00 0.00 179.25 180.54 2jk2 n LYS 247 N -4.62 1.91 0.00 0.00 4.76 -1.26 -4.57 118.16 114.38 2jk2 n LYS 247 Ca 0.22 -1.33 0.13 0.00 -2.87 0.00 0.00 58.31 54.46 2jk2 n LYS 247 Cb 0.67 -1.47 0.41 0.00 -1.84 0.00 0.00 35.03 32.81 2jk2 n LYS 247 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07