#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kj2 h GLN 2 N 0.00 0.00 -1.48 2.61 5.75 -1.93 -3.44 115.11 116.61 1kj2 h GLN 2 Ca 0.00 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.41 1kj2 h GLN 2 Cb 0.00 0.00 -0.26 0.00 1.07 0.00 0.00 27.48 28.29 1kj2 h GLN 2 CO 0.00 0.15 -0.45 0.54 -2.65 0.00 0.00 178.83 176.42 1kj2 s VAL 3 N -3.16 -0.76 -0.29 2.39 0.11 -1.26 -2.38 120.40 115.05 1kj2 s VAL 3 Ca -0.00 -0.14 -0.06 0.00 -2.93 0.00 0.00 61.98 58.85 1kj2 s VAL 3 Cb 0.09 -0.95 0.01 0.00 -1.53 0.00 0.00 36.38 33.99 1kj2 s VAL 3 CO 0.78 -0.14 0.06 0.00 -3.33 0.00 0.00 175.10 172.47 1kj2 s ARG 4 N 2.66 3.05 0.63 1.54 3.03 -0.23 -3.99 118.95 125.63 1kj2 s ARG 4 Ca 0.12 -0.88 0.05 0.00 2.03 0.00 0.00 55.73 57.05 1kj2 s ARG 4 Cb -0.13 -3.32 0.10 0.00 -1.03 0.00 0.00 34.95 30.57 1kj2 s ARG 4 CO -0.25 -0.44 0.87 1.14 -1.13 0.00 0.00 175.30 175.49 1kj2 s GLN 5 N 1.47 2.06 -0.27 3.89 -2.07 -1.26 -3.01 119.66 120.47 1kj2 s GLN 5 Ca 0.02 -1.34 -0.37 0.00 -1.82 0.00 0.00 55.36 51.85 1kj2 s GLN 5 Cb -0.17 -2.51 0.16 0.00 -1.09 0.00 0.00 33.01 29.40 1kj2 s GLN 5 CO 0.02 -1.08 1.35 -1.54 -1.32 0.00 0.00 175.29 172.71 1kj2 s SER 6 N -4.67 -0.04 0.80 12.60 1.04 -0.65 -4.79 113.70 118.00 1kj2 s SER 6 Ca 0.63 0.01 -0.12 0.00 0.48 0.00 0.00 55.95 56.95 1kj2 s SER 6 Cb -0.06 0.04 0.07 0.00 0.10 0.00 0.00 66.02 66.17 1kj2 s SER 6 CO 0.41 -0.06 1.10 -2.16 0.98 0.00 0.00 173.24 173.51 1kj2 s PRO 7 N -1.96 2.05 0.41 4.02 0.04 -1.26 -0.87 135.00 137.42 1kj2 s PRO 7 Ca 0.11 0.62 0.22 0.00 0.04 0.00 0.00 61.00 61.98 1kj2 s PRO 7 Cb -0.01 -1.92 0.33 0.00 0.04 0.00 0.00 34.50 32.94 1kj2 s PRO 7 CO -0.03 -1.64 1.59 -0.56 0.04 0.00 0.00 177.00 176.40 1kj2 h GLN 8 N -1.10 0.00 -6.89 4.56 3.07 -1.87 -3.40 115.11 109.47 1kj2 h GLN 8 Ca -0.47 0.00 -0.69 0.00 0.09 0.00 0.00 58.65 57.58 1kj2 h GLN 8 Cb 1.27 0.00 -0.22 0.00 0.08 0.00 0.00 27.48 28.61 1kj2 h GLN 8 CO 0.59 0.10 -0.87 -1.12 0.09 0.00 0.00 178.83 177.63 1kj2 s SER 9 N -6.24 3.35 -0.24 0.06 0.01 -1.26 -1.29 113.70 108.09 1kj2 s SER 9 Ca 0.06 -0.73 -0.09 0.00 1.31 0.00 0.00 55.95 56.50 1kj2 s SER 9 Cb 0.06 -0.24 0.10 0.00 0.21 0.00 0.00 66.02 66.14 1kj2 s SER 9 CO 0.68 0.18 0.52 -0.22 0.41 0.00 0.00 173.24 174.81 1kj2 s LEU 10 N -2.04 -0.78 -0.15 2.44 2.96 -0.39 -4.85 118.68 115.87 1kj2 s LEU 10 Ca 0.14 1.23 0.01 0.00 -0.22 0.00 0.00 54.13 55.28 1kj2 s LEU 10 Cb -0.10 1.77 -0.00 0.00 0.50 0.00 0.00 46.19 48.35 1kj2 s LEU 10 CO 0.06 -0.22 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.82 1kj2 s THR 11 N 2.49 2.67 -0.01 3.68 2.01 -1.26 -0.28 115.64 124.94 1kj2 s THR 11 Ca -0.05 -0.77 -0.08 0.00 0.31 0.00 0.00 61.69 61.10 1kj2 s THR 11 Cb -0.11 -2.12 0.01 0.00 0.01 0.00 0.00 72.50 70.29 1kj2 s THR 11 CO -0.16 0.52 0.17 0.54 -0.69 0.00 0.00 174.62 175.00 1kj2 s VAL 12 N 0.70 0.07 0.00 3.82 0.11 -0.91 -4.99 120.40 119.19 1kj2 s VAL 12 Ca -0.07 -0.56 0.00 0.00 -2.93 0.00 0.00 61.98 58.42 1kj2 s VAL 12 Cb -0.16 -0.43 0.00 0.00 -1.53 0.00 0.00 36.38 34.26 1kj2 s VAL 12 CO 0.02 -0.31 0.00 0.79 -3.33 0.00 0.00 175.10 172.27 1kj2 n TRP 13 N 1.65 -1.74 -3.89 1.54 8.01 -1.26 -3.35 117.44 118.40 1kj2 n TRP 13 Ca -0.21 0.00 -0.26 0.00 -1.31 0.00 0.00 57.50 55.72 1kj2 n TRP 13 Cb 0.56 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.83 1kj2 n TRP 13 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.69 174.68 1kj2 s GLU 14 N -1.63 3.46 -1.52 -0.99 2.12 -1.18 -4.26 118.70 114.69 1kj2 s GLU 14 Ca 0.00 -0.55 -0.10 0.00 0.36 0.00 0.00 54.97 54.68 1kj2 s GLU 14 Cb 0.00 -2.94 0.07 0.00 0.26 0.00 0.00 34.13 31.53 1kj2 s GLU 14 CO 0.00 0.49 0.74 0.41 -0.54 0.00 0.00 175.26 176.37 1kj2 n GLY 15 N -0.61 -0.38 3.51 -1.50 0.00 -0.85 -4.66 105.19 100.69 1kj2 n GLY 15 Ca -0.07 0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 1kj2 n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kj2 s GLU 16 N -6.61 1.81 -0.40 1.61 0.41 -1.26 -4.17 118.70 110.09 1kj2 s GLU 16 Ca 0.43 -2.06 -0.16 0.00 -0.41 0.00 0.00 54.97 52.77 1kj2 s GLU 16 Cb -0.22 -0.86 0.01 0.00 -1.78 0.00 0.00 34.13 31.28 1kj2 s GLU 16 CO 0.87 -0.30 0.40 0.99 -0.49 0.00 0.00 175.26 176.73 1kj2 s THR 17 N -3.21 5.13 0.12 3.63 2.01 -1.26 -0.31 115.64 121.75 1kj2 s THR 17 Ca 0.29 -0.28 -0.15 0.00 0.31 0.00 0.00 61.69 61.86 1kj2 s THR 17 Cb 0.06 -3.97 -0.07 0.00 0.01 0.00 0.00 72.50 68.53 1kj2 s THR 17 CO 0.14 -0.33 0.54 0.00 -0.69 0.00 0.00 174.62 174.28 1kj2 s ALA 18 N 2.06 3.59 -0.32 7.40 0.00 0.20 -4.90 121.76 129.79 1kj2 s ALA 18 Ca 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 51.96 51.93 1kj2 s ALA 18 Cb -0.17 -2.52 0.11 0.00 0.00 0.00 0.00 23.12 20.54 1kj2 s ALA 18 CO 0.13 0.45 0.15 0.42 0.00 0.00 0.00 175.76 176.91 1kj2 s ILE 19 N -1.39 0.44 -0.19 0.00 1.01 -1.26 -0.97 121.20 118.84 1kj2 s ILE 19 Ca 0.36 -1.35 -0.16 0.00 0.00 0.00 0.00 60.65 59.50 1kj2 s ILE 19 Cb -0.16 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 1kj2 s ILE 19 CO 0.19 -0.78 0.40 -0.76 0.00 0.00 0.00 174.94 173.99 1kj2 s LEU 20 N 1.56 4.18 0.24 2.97 1.02 -0.52 -4.74 118.68 123.38 1kj2 s LEU 20 Ca 0.12 0.55 0.01 0.00 0.02 0.00 0.00 54.13 54.83 1kj2 s LEU 20 Cb -0.19 -2.53 -0.04 0.00 0.02 0.00 0.00 46.19 43.46 1kj2 s LEU 20 CO -0.22 -0.06 0.41 0.20 0.02 0.00 0.00 176.35 176.71 1kj2 s ASN 21 N 0.95 6.35 0.18 2.29 -0.87 -0.05 -0.49 114.94 123.30 1kj2 s ASN 21 Ca 0.20 0.33 -0.06 0.00 -1.57 0.00 0.00 52.86 51.76 1kj2 s ASN 21 Cb -0.15 -1.98 -0.02 0.00 -0.02 0.00 0.00 41.25 39.08 1kj2 s ASN 21 CO 0.08 -0.09 0.23 0.00 -2.57 0.00 0.00 177.10 174.74 1kj2 s SER 23 N -3.05 -0.25 0.41 0.00 1.04 -1.17 -2.49 113.70 108.20 1kj2 s SER 23 Ca 0.25 0.40 0.04 0.00 0.48 0.00 0.00 55.95 57.13 1kj2 s SER 23 Cb 0.04 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 1kj2 s SER 23 CO 0.05 -0.13 0.15 -0.72 0.98 0.00 0.00 173.24 173.57 1kj2 s TYR 24 N -0.32 1.78 -0.01 5.02 -0.85 -1.06 -1.07 117.35 120.83 1kj2 s TYR 24 Ca 0.04 -1.34 0.00 0.00 -0.52 0.00 0.00 57.07 55.26 1kj2 s TYR 24 Cb -0.03 -1.12 -0.01 0.00 0.38 0.00 0.00 41.96 41.18 1kj2 s TYR 24 CO -0.08 -0.37 0.02 -1.91 -1.52 0.00 0.00 175.55 171.69 1kj2 n GLU 25 N -0.91 4.38 -3.48 -3.49 4.07 -1.00 -4.87 120.64 115.32 1kj2 n GLU 25 Ca -0.05 -0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.62 1kj2 n GLU 25 Cb 0.65 -0.70 -0.09 0.00 -0.06 0.00 0.00 31.44 31.23 1kj2 n GLU 25 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1kj2 s ASP 26 N -1.41 5.99 0.46 4.31 3.68 -1.26 -4.92 116.67 123.51 1kj2 s ASP 26 Ca 0.00 -1.13 0.31 0.00 2.13 0.00 0.00 52.55 53.87 1kj2 s ASP 26 Cb 0.00 -2.12 1.60 0.00 -1.45 0.00 0.00 42.92 40.95 1kj2 s ASP 26 CO 0.02 -0.51 1.95 0.77 0.13 0.00 0.00 175.17 177.53 1kj2 h SER 27 N 8.60 0.00 1.37 -0.34 4.64 -1.98 -1.48 113.55 124.37 1kj2 h SER 27 Ca -0.27 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 1kj2 h SER 27 Cb 1.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1kj2 h SER 27 CO 0.77 0.00 -0.05 0.74 -0.87 0.00 0.00 176.83 177.42 1kj2 h THR 28 N 0.00 0.10 -2.23 2.95 2.02 -1.97 -3.45 112.91 110.33 1kj2 h THR 28 Ca 0.00 -0.82 -0.59 0.00 0.77 0.00 0.00 66.41 65.77 1kj2 h THR 28 Cb 0.12 1.75 0.05 0.00 -1.74 0.00 0.00 68.15 68.33 1kj2 h THR 28 CO 0.00 0.05 0.86 0.49 0.37 0.00 0.00 175.52 177.29 1kj2 n PHE 29 N -3.13 2.29 -0.04 3.16 0.99 -0.56 -4.35 117.46 115.82 1kj2 n PHE 29 Ca 0.02 0.21 0.00 0.00 -0.00 0.00 0.00 57.45 57.67 1kj2 n PHE 29 Cb 0.42 -2.57 0.00 0.00 -1.00 0.00 0.00 39.48 36.32 1kj2 n PHE 29 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 1kj2 n ASN 30 N 4.10 0.18 -3.91 4.37 2.04 0.35 -4.83 115.26 117.56 1kj2 n ASN 30 Ca 0.18 -0.54 -0.22 0.00 -0.44 0.00 0.00 54.58 53.57 1kj2 n ASN 30 Cb 0.29 0.64 -0.17 0.00 -2.53 0.00 0.00 39.78 38.02 1kj2 n ASN 30 CO 0.00 0.00 0.00 -0.47 -0.44 0.00 0.00 177.26 176.35 1kj2 s TYR 31 N -0.64 0.93 -0.56 -2.53 5.04 -1.14 -0.72 117.35 117.73 1kj2 s TYR 31 Ca 0.00 -0.30 0.04 0.00 -2.44 0.00 0.00 57.07 54.37 1kj2 s TYR 31 Cb 0.00 -0.79 0.15 0.00 0.35 0.00 0.00 41.96 41.67 1kj2 s TYR 31 CO 0.00 -0.24 0.35 -0.06 -1.34 0.00 0.00 175.55 174.27 1kj2 s PHE 32 N 1.00 2.74 0.01 4.97 0.40 -0.64 -2.00 117.98 124.45 1kj2 s PHE 32 Ca -0.10 -2.93 -0.25 0.00 -0.60 0.00 0.00 56.93 53.06 1kj2 s PHE 32 Cb -0.14 -2.28 -0.05 0.00 0.51 0.00 0.00 43.02 41.06 1kj2 s PHE 32 CO -0.00 -0.69 0.76 -1.25 0.70 0.00 0.00 175.22 174.74 1kj2 s PRO 33 N -0.52 4.48 -0.25 0.24 0.04 -1.24 -2.53 135.00 135.20 1kj2 s PRO 33 Ca 0.22 1.03 -0.07 0.00 0.04 0.00 0.00 61.00 62.23 1kj2 s PRO 33 Cb -0.13 -3.40 -0.02 0.00 0.04 0.00 0.00 34.50 30.99 1kj2 s PRO 33 CO -0.09 0.19 0.05 -1.58 0.04 0.00 0.00 177.00 175.61 1kj2 s TRP 34 N 0.29 3.07 0.21 0.56 0.52 0.25 -1.29 118.94 122.55 1kj2 s TRP 34 Ca 0.39 -0.63 0.02 0.00 0.02 0.00 0.00 56.10 55.91 1kj2 s TRP 34 Cb -0.20 -2.22 -0.03 0.00 -1.15 0.00 0.00 33.47 29.87 1kj2 s TRP 34 CO 0.22 -0.44 0.36 0.71 0.02 0.00 0.00 176.95 177.82 1kj2 s TYR 35 N 1.57 3.47 -0.09 -1.98 1.51 0.11 0.54 117.35 122.48 1kj2 s TYR 35 Ca 0.06 0.14 0.03 0.00 -1.01 0.00 0.00 57.07 56.28 1kj2 s TYR 35 Cb -0.15 -1.69 0.01 0.00 -0.11 0.00 0.00 41.96 40.01 1kj2 s TYR 35 CO 0.02 0.43 -0.18 -1.14 -1.11 0.00 0.00 175.55 173.57 1kj2 s GLN 36 N -3.60 2.41 -0.09 -0.62 0.74 0.66 -1.09 119.66 118.07 1kj2 s GLN 36 Ca 0.36 -0.65 0.03 0.00 0.05 0.00 0.00 55.36 55.14 1kj2 s GLN 36 Cb -0.10 -1.92 0.01 0.00 1.10 0.00 0.00 33.01 32.10 1kj2 s GLN 36 CO 0.29 0.06 -0.16 -1.14 -0.55 0.00 0.00 175.29 173.79 1kj2 s GLN 37 N 0.63 2.25 -0.16 1.67 0.74 0.10 -1.28 119.66 123.62 1kj2 s GLN 37 Ca -0.14 -0.59 -0.04 0.00 0.05 0.00 0.00 55.36 54.64 1kj2 s GLN 37 Cb -0.16 -1.82 -0.03 0.00 1.10 0.00 0.00 33.01 32.10 1kj2 s GLN 37 CO 0.04 0.04 -0.02 -0.06 -0.55 0.00 0.00 175.29 174.74 1kj2 s PHE 38 N 0.69 3.07 0.01 1.67 0.08 -1.26 -1.44 117.98 120.80 1kj2 s PHE 38 Ca -0.13 -0.21 -0.40 0.00 0.12 0.00 0.00 56.93 56.32 1kj2 s PHE 38 Cb -0.16 -1.97 -0.20 0.00 -0.57 0.00 0.00 43.02 40.12 1kj2 s PHE 38 CO 0.03 0.02 1.10 -0.35 -0.10 0.00 0.00 175.22 175.93 1kj2 n PRO 39 N 3.48 0.13 0.00 0.24 -0.04 -1.26 -0.74 135.00 136.80 1kj2 n PRO 39 Ca -0.17 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1kj2 n PRO 39 Cb 0.52 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 1kj2 n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1kj2 n GLY 40 N 1.63 3.12 3.75 0.55 0.00 -1.26 -5.04 105.19 107.95 1kj2 n GLY 40 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 1kj2 n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kj2 s GLU 41 N -0.29 2.74 0.84 1.61 2.02 0.08 -5.13 118.70 120.56 1kj2 s GLU 41 Ca 0.00 -0.95 -0.12 0.00 0.02 0.00 0.00 54.97 53.92 1kj2 s GLU 41 Cb 0.00 -2.55 0.09 0.00 0.10 0.00 0.00 34.13 31.77 1kj2 s GLU 41 CO 0.00 0.47 1.14 0.20 0.02 0.00 0.00 175.26 177.09 1kj2 s GLY 42 N -3.05 1.59 0.30 -1.39 0.00 -1.26 -4.38 107.32 99.13 1kj2 s GLY 42 Ca 0.30 -0.47 -0.30 0.00 0.00 0.00 0.00 44.72 44.25 1kj2 s GLY 42 CO 0.22 0.02 1.54 -4.14 0.00 0.00 0.00 173.10 170.74 1kj2 s PRO 43 N -5.34 4.15 -0.06 2.90 0.02 -1.26 -4.67 135.00 130.74 1kj2 s PRO 43 Ca 0.62 2.53 0.02 0.00 0.02 0.00 0.00 61.00 64.18 1kj2 s PRO 43 Cb -0.13 -3.03 0.02 0.00 0.02 0.00 0.00 34.50 31.38 1kj2 s PRO 43 CO 0.52 -0.57 -0.09 0.00 -0.33 0.00 0.00 177.00 176.53 1kj2 s ALA 44 N -0.26 1.02 0.02 -1.55 0.00 -0.40 -4.90 121.76 115.70 1kj2 s ALA 44 Ca 0.60 -0.27 -0.38 0.00 0.00 0.00 0.00 51.96 51.91 1kj2 s ALA 44 Cb -0.46 -0.51 -0.17 0.00 0.00 0.00 0.00 23.12 21.97 1kj2 s ALA 44 CO 0.50 0.05 1.36 -0.11 0.00 0.00 0.00 175.76 177.57 1kj2 n LEU 45 N 3.92 1.54 -0.08 0.00 7.94 -1.26 -0.24 117.00 128.81 1kj2 n LEU 45 Ca -0.24 1.12 -0.13 0.00 -1.11 0.00 0.00 56.01 55.65 1kj2 n LEU 45 Cb 0.51 -1.15 -0.07 0.00 0.53 0.00 0.00 43.42 43.24 1kj2 n LEU 45 CO 0.24 -1.07 -1.05 -0.11 -1.11 0.00 0.00 177.39 174.30 1kj2 n LEU 46 N 2.78 2.49 -3.60 -1.96 7.94 0.19 -4.77 117.00 120.07 1kj2 n LEU 46 Ca 0.20 -0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 55.01 1kj2 n LEU 46 Cb 0.17 -0.55 -0.05 0.00 0.53 0.00 0.00 43.42 43.52 1kj2 n LEU 46 CO 0.65 0.66 0.85 -0.51 -1.11 0.00 0.00 177.39 177.92 1kj2 s ILE 47 N -2.32 0.00 0.05 1.96 2.07 -0.96 -5.01 121.20 116.99 1kj2 s ILE 47 Ca -0.22 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 58.97 1kj2 s ILE 47 Cb 0.07 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.64 1kj2 s ILE 47 CO 0.35 0.00 0.08 -0.94 -1.91 0.00 0.00 174.94 172.52 1kj2 s SER 48 N -0.91 0.24 -0.05 4.50 1.04 -1.26 0.85 113.70 118.12 1kj2 s SER 48 Ca 0.01 -0.67 -0.05 0.00 0.48 0.00 0.00 55.95 55.72 1kj2 s SER 48 Cb -0.01 0.24 0.01 0.00 0.10 0.00 0.00 66.02 66.36 1kj2 s SER 48 CO -0.01 -0.57 0.13 -0.51 0.98 0.00 0.00 173.24 173.26 1kj2 s ILE 49 N -3.14 0.01 0.30 -1.02 2.07 -1.05 -4.95 121.20 113.42 1kj2 s ILE 49 Ca -0.00 -0.04 -0.11 0.00 -1.41 0.00 0.00 60.65 59.08 1kj2 s ILE 49 Cb 0.02 -0.20 -0.08 0.00 0.13 0.00 0.00 42.46 42.33 1kj2 s ILE 49 CO -0.07 -0.02 0.66 -0.13 -1.91 0.00 0.00 174.94 173.47 1kj2 s ARG 50 N -0.02 3.85 0.33 3.50 0.52 -1.26 -1.62 118.95 124.26 1kj2 s ARG 50 Ca -0.01 0.43 0.08 0.00 -0.52 0.00 0.00 55.73 55.71 1kj2 s ARG 50 Cb -0.01 -2.52 0.80 0.00 0.52 0.00 0.00 34.95 33.74 1kj2 s ARG 50 CO 0.00 0.18 1.82 0.66 0.02 0.00 0.00 175.30 177.98 1kj2 h SER 51 N 2.11 0.71 0.00 0.23 4.64 -1.24 -0.53 113.55 119.47 1kj2 h SER 51 Ca -0.47 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1kj2 h SER 51 Cb 1.18 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1kj2 h SER 51 CO 0.66 0.30 0.21 1.33 -0.87 0.00 0.00 176.83 178.46 1kj2 n VAL 52 N -4.65 0.85 -2.27 0.95 0.24 -1.26 -4.62 118.33 107.57 1kj2 n VAL 52 Ca 0.21 0.69 0.00 0.00 -2.04 0.00 0.00 64.34 63.20 1kj2 n VAL 52 Cb 0.55 -1.69 0.00 0.00 -1.47 0.00 0.00 33.84 31.23 1kj2 n VAL 52 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1kj2 n SER 53 N -1.95 0.00 0.00 -1.34 7.64 -0.21 -5.05 113.62 112.71 1kj2 n SER 53 Ca -0.01 -0.80 0.00 0.00 1.01 0.00 0.00 58.87 59.07 1kj2 n SER 53 Cb 0.23 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 1kj2 n SER 53 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1kj2 n ASP 54 N -2.40 0.00 0.00 6.43 5.75 -1.26 -4.86 116.55 120.21 1kj2 n ASP 54 Ca 0.00 -0.94 0.00 0.00 -0.01 0.00 0.00 54.79 53.84 1kj2 n ASP 54 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1kj2 n ASP 54 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1kj2 n LYS 55 N 0.00 0.00 -5.05 0.11 4.81 -1.26 -2.91 118.16 113.85 1kj2 n LYS 55 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.16 1kj2 n LYS 55 Cb 0.45 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 35.35 1kj2 n LYS 55 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1kj2 s LYS 56 N 0.00 1.79 -0.02 1.64 2.36 -0.85 -5.00 119.74 119.65 1kj2 s LYS 56 Ca 0.00 -0.86 -0.01 0.00 -2.55 0.00 0.00 55.97 52.55 1kj2 s LYS 56 Cb 0.00 -1.78 0.02 0.00 -1.05 0.00 0.00 37.83 35.03 1kj2 s LYS 56 CO 0.00 0.48 0.04 -1.21 1.55 0.00 0.00 175.35 176.21 1kj2 s GLU 57 N -0.69 -0.01 -0.43 4.03 2.02 -1.26 -1.75 118.70 120.61 1kj2 s GLU 57 Ca 0.09 0.18 0.06 0.00 0.02 0.00 0.00 54.97 55.32 1kj2 s GLU 57 Cb -0.09 -0.18 0.22 0.00 0.10 0.00 0.00 34.13 34.18 1kj2 s GLU 57 CO -0.00 -0.13 0.57 -3.47 0.02 0.00 0.00 175.26 172.24 1kj2 n ASP 58 N 3.93 -1.16 0.00 -0.19 4.64 -1.08 -5.04 116.55 117.65 1kj2 n ASP 58 Ca -0.24 -2.75 0.00 0.00 -1.38 0.00 0.00 54.79 50.42 1kj2 n ASP 58 Cb 0.52 0.22 0.00 0.00 -1.04 0.00 0.00 41.12 40.82 1kj2 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1kj2 n GLY 59 N 2.11 1.29 0.01 0.27 0.00 -1.26 -3.78 105.19 103.83 1kj2 n GLY 59 Ca 0.21 -0.60 0.08 0.00 0.00 0.00 0.00 46.02 45.72 1kj2 n GLY 59 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1kj2 n ARG 61 N 0.00 0.71 -3.02 1.61 0.63 -1.26 -4.96 116.66 110.38 1kj2 n ARG 61 Ca 0.00 -0.12 -0.32 0.00 -0.92 0.00 0.00 57.85 56.48 1kj2 n ARG 61 Cb 0.00 -1.37 -0.06 0.00 0.45 0.00 0.00 32.46 31.48 1kj2 n ARG 61 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1kj2 s PHE 62 N -3.04 3.37 -0.31 -0.14 0.40 -1.25 -2.98 117.98 114.04 1kj2 s PHE 62 Ca -0.04 1.28 0.04 0.00 -0.60 0.00 0.00 56.93 57.61 1kj2 s PHE 62 Cb 0.11 -2.59 0.20 0.00 0.51 0.00 0.00 43.02 41.24 1kj2 s PHE 62 CO 0.69 0.01 0.66 0.99 0.70 0.00 0.00 175.22 178.27 1kj2 s THR 63 N -2.09 -0.90 0.49 0.64 2.01 -1.06 -2.64 115.64 112.09 1kj2 s THR 63 Ca 0.56 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 62.35 1kj2 s THR 63 Cb -0.10 -0.75 -0.08 0.00 0.01 0.00 0.00 72.50 71.58 1kj2 s THR 63 CO 0.19 0.00 1.05 -0.63 -0.69 0.00 0.00 174.62 174.54 1kj2 s ILE 64 N 2.68 3.69 -0.02 1.82 1.01 -0.71 -2.19 121.20 127.47 1kj2 s ILE 64 Ca 0.13 1.06 0.03 0.00 0.00 0.00 0.00 60.65 61.87 1kj2 s ILE 64 Cb -0.08 -3.43 -0.00 0.00 0.01 0.00 0.00 42.46 38.96 1kj2 s ILE 64 CO -0.23 -0.22 -0.12 -0.36 0.00 0.00 0.00 174.94 174.01 1kj2 s PHE 65 N -1.94 1.20 0.07 3.97 0.08 -0.56 -2.02 117.98 118.78 1kj2 s PHE 65 Ca 0.68 -0.29 0.08 0.00 0.12 0.00 0.00 56.93 57.53 1kj2 s PHE 65 Cb -0.18 -0.81 -0.03 0.00 -0.57 0.00 0.00 43.02 41.43 1kj2 s PHE 65 CO 0.21 -0.09 -0.22 0.12 -0.10 0.00 0.00 175.22 175.14 1kj2 s PHE 66 N -0.02 1.93 -0.40 0.36 5.36 -1.15 -2.69 117.98 121.37 1kj2 s PHE 66 Ca -0.00 -0.39 0.03 0.00 -0.96 0.00 0.00 56.93 55.61 1kj2 s PHE 66 Cb -0.08 -1.11 0.16 0.00 -0.34 0.00 0.00 43.02 41.65 1kj2 s PHE 66 CO 0.00 0.15 0.35 1.21 -1.46 0.00 0.00 175.22 175.48 1kj2 s ASN 67 N -1.48 1.49 0.16 6.13 3.84 -0.44 -4.75 114.94 119.88 1kj2 s ASN 67 Ca 0.08 -2.51 -0.27 0.00 0.21 0.00 0.00 52.86 50.37 1kj2 s ASN 67 Cb -0.09 -0.06 -0.00 0.00 -0.55 0.00 0.00 41.25 40.54 1kj2 s ASN 67 CO 0.03 -0.21 1.57 0.50 -2.79 0.00 0.00 177.10 176.20 1kj2 h LYS 68 N 6.12 -0.30 -0.74 0.43 1.63 -1.90 0.24 116.57 122.05 1kj2 h LYS 68 Ca 0.17 0.02 0.12 0.00 -0.85 0.00 0.00 60.65 60.11 1kj2 h LYS 68 Cb 0.96 0.07 -0.08 0.00 -0.60 0.00 0.00 32.23 32.58 1kj2 h LYS 68 CO 0.28 -0.20 0.34 0.00 -3.45 0.00 0.00 179.45 176.42 1kj2 h ARG 69 N -0.31 0.51 0.00 1.90 3.08 -1.97 -2.18 114.38 115.42 1kj2 h ARG 69 Ca 0.14 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 1kj2 h ARG 69 Cb 0.58 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 1kj2 h ARG 69 CO -0.60 0.34 -0.59 0.93 -1.07 0.00 0.00 179.97 178.98 1kj2 h GLU 70 N 0.53 0.00 -4.02 0.04 5.08 -1.92 -3.48 114.58 110.82 1kj2 h GLU 70 Ca 0.39 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.56 1kj2 h GLU 70 Cb 0.52 0.00 0.09 0.00 0.50 0.00 0.00 28.75 29.86 1kj2 h GLU 70 CO -0.34 0.07 -0.43 1.63 -1.00 0.00 0.00 179.01 178.95 1kj2 n LYS 71 N -2.92 -3.77 -4.22 2.33 5.02 0.82 -4.93 118.16 110.50 1kj2 n LYS 71 Ca 0.01 0.47 -0.18 0.00 -2.02 0.00 0.00 58.31 56.60 1kj2 n LYS 71 Cb 0.59 -4.39 -0.15 0.00 -0.02 0.00 0.00 35.03 31.06 1kj2 n LYS 71 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1kj2 s LYS 72 N -4.84 0.63 0.45 1.97 2.36 -1.01 -2.55 119.74 116.77 1kj2 s LYS 72 Ca 0.03 -0.19 0.03 0.00 -2.55 0.00 0.00 55.97 53.28 1kj2 s LYS 72 Cb -0.01 -0.62 -0.03 0.00 -1.05 0.00 0.00 37.83 36.12 1kj2 s LYS 72 CO 0.41 0.07 0.05 -0.51 1.55 0.00 0.00 175.35 176.92 1kj2 s LEU 73 N 0.20 2.23 -0.29 5.43 1.02 -1.04 -1.33 118.68 124.90 1kj2 s LEU 73 Ca -0.02 -1.62 -0.16 0.00 0.02 0.00 0.00 54.13 52.35 1kj2 s LEU 73 Cb -0.07 -0.50 0.18 0.00 0.02 0.00 0.00 46.19 45.82 1kj2 s LEU 73 CO -0.00 -0.83 1.13 -0.94 0.02 0.00 0.00 176.35 175.72 1kj2 s SER 74 N -3.74 -0.27 -0.17 2.29 1.04 -1.10 -2.19 113.70 109.56 1kj2 s SER 74 Ca 0.16 0.43 -0.09 0.00 0.48 0.00 0.00 55.95 56.94 1kj2 s SER 74 Cb 0.03 1.11 -0.05 0.00 0.10 0.00 0.00 66.02 67.21 1kj2 s SER 74 CO 0.09 -0.07 0.13 -0.22 0.98 0.00 0.00 173.24 174.16 1kj2 s LEU 75 N 1.18 4.28 -0.26 2.42 2.96 0.36 -1.49 118.68 128.12 1kj2 s LEU 75 Ca -0.08 0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 54.13 1kj2 s LEU 75 Cb -0.03 -2.08 0.03 0.00 0.50 0.00 0.00 46.19 44.61 1kj2 s LEU 75 CO -0.12 0.27 -0.04 -1.00 -1.32 0.00 0.00 176.35 174.14 1kj2 s HIS 76 N -0.21 3.09 -0.87 5.38 3.76 -0.93 -1.43 115.29 124.08 1kj2 s HIS 76 Ca 0.11 -1.52 -0.05 0.00 -0.15 0.00 0.00 55.06 53.45 1kj2 s HIS 76 Cb -0.11 -2.08 0.22 0.00 1.11 0.00 0.00 32.58 31.71 1kj2 s HIS 76 CO 0.00 -0.72 0.77 0.42 -0.85 0.00 0.00 174.74 174.37 1kj2 s ILE 77 N 1.34 4.74 0.78 0.60 1.01 -0.14 -2.55 121.20 126.97 1kj2 s ILE 77 Ca -0.00 -3.39 -0.11 0.00 0.00 0.00 0.00 60.65 57.15 1kj2 s ILE 77 Cb -0.17 -3.94 0.06 0.00 0.01 0.00 0.00 42.46 38.42 1kj2 s ILE 77 CO -0.03 -1.06 1.09 0.28 0.00 0.00 0.00 174.94 175.23 1kj2 s THR 78 N -0.85 3.19 -1.27 2.92 -1.32 -1.16 -0.63 115.64 116.53 1kj2 s THR 78 Ca 0.25 0.39 -0.29 0.00 -1.21 0.00 0.00 61.69 60.82 1kj2 s THR 78 Cb -0.11 -3.17 0.04 0.00 -1.51 0.00 0.00 72.50 67.75 1kj2 s THR 78 CO -0.09 -0.50 0.58 -0.67 -2.21 0.00 0.00 174.62 171.72 1kj2 n ASP 79 N -3.35 -3.34 -3.24 8.08 2.03 -0.79 -4.71 116.55 111.22 1kj2 n ASP 79 Ca 0.07 -1.29 -0.04 0.00 0.52 0.00 0.00 54.79 54.05 1kj2 n ASP 79 Cb 0.56 -1.73 0.04 0.00 -0.72 0.00 0.00 41.12 39.27 1kj2 n ASP 79 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1kj2 n SER 80 N -2.29 -1.50 -3.62 1.67 7.64 0.58 -4.27 113.62 111.83 1kj2 n SER 80 Ca -0.15 -0.12 -0.00 0.00 1.01 0.00 0.00 58.87 59.62 1kj2 n SER 80 Cb 0.59 -0.28 -0.06 0.00 -1.01 0.00 0.00 64.21 63.45 1kj2 n SER 80 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1kj2 s GLN 81 N -1.79 0.23 -0.45 1.43 -0.21 -1.26 -2.02 119.66 115.60 1kj2 s GLN 81 Ca 0.09 0.42 -0.27 0.00 0.02 0.00 0.00 55.36 55.61 1kj2 s GLN 81 Cb -0.02 0.07 -0.04 0.00 1.00 0.00 0.00 33.01 34.02 1kj2 s GLN 81 CO 0.07 -0.05 2.04 -2.14 -2.12 0.00 0.00 175.29 173.09 1kj2 s PRO 82 N 1.30 2.76 0.00 2.91 0.02 -1.26 -0.10 135.00 140.62 1kj2 s PRO 82 Ca -0.08 1.25 0.00 0.00 0.02 0.00 0.00 61.00 62.19 1kj2 s PRO 82 Cb -0.03 -4.38 0.00 0.00 0.02 0.00 0.00 34.50 30.11 1kj2 s PRO 82 CO -0.13 -2.54 0.00 0.41 -0.33 0.00 0.00 177.00 174.41 1kj2 n GLY 83 N 5.71 0.09 0.66 0.52 0.00 -1.26 -4.90 105.19 106.02 1kj2 n GLY 83 Ca 0.27 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.35 1kj2 n GLY 83 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kj2 n ASP 84 N 0.00 2.90 -4.55 1.61 8.00 0.85 -4.91 116.55 120.44 1kj2 n ASP 84 Ca 0.00 -1.95 -0.43 0.00 0.71 0.00 0.00 54.79 53.12 1kj2 n ASP 84 Cb 0.00 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 40.84 1kj2 n ASP 84 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1kj2 s SER 85 N -1.00 6.41 0.00 -2.24 0.01 -1.26 -4.81 113.70 110.81 1kj2 s SER 85 Ca 0.24 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.42 1kj2 s SER 85 Cb 0.13 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.86 1kj2 s SER 85 CO 0.17 -1.35 0.00 0.00 0.41 0.00 0.00 173.24 172.47 1kj2 n ALA 86 N 7.94 0.00 -2.88 1.44 0.00 -0.89 -4.96 120.51 121.16 1kj2 n ALA 86 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.15 1kj2 n ALA 86 Cb 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.83 1kj2 n ALA 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1kj2 s THR 87 N -2.79 4.56 -0.34 0.00 2.01 -0.52 0.28 115.64 118.84 1kj2 s THR 87 Ca 0.00 -0.11 -0.08 0.00 0.31 0.00 0.00 61.69 61.81 1kj2 s THR 87 Cb 0.00 -3.07 0.03 0.00 0.01 0.00 0.00 72.50 69.48 1kj2 s THR 87 CO 0.00 0.43 0.12 -0.31 -0.69 0.00 0.00 174.62 174.18 1kj2 s TYR 88 N 0.69 3.24 -0.11 4.92 2.02 0.84 -0.72 117.35 128.23 1kj2 s TYR 88 Ca 0.03 -1.24 -0.12 0.00 -0.37 0.00 0.00 57.07 55.36 1kj2 s TYR 88 Cb -0.13 -2.31 -0.05 0.00 -0.40 0.00 0.00 41.96 39.07 1kj2 s TYR 88 CO 0.02 -0.69 0.27 -0.06 -1.57 0.00 0.00 175.55 173.53 1kj2 s PHE 89 N 1.45 3.56 -0.36 2.71 0.40 -0.25 -2.23 117.98 123.26 1kj2 s PHE 89 Ca -0.00 0.66 -0.07 0.00 -0.60 0.00 0.00 56.93 56.91 1kj2 s PHE 89 Cb -0.19 -2.22 0.05 0.00 0.51 0.00 0.00 43.02 41.17 1kj2 s PHE 89 CO 0.04 0.46 0.15 0.00 0.70 0.00 0.00 175.22 176.56 1kj2 s ALA 91 N 1.42 4.68 -0.11 0.00 0.00 -0.41 -0.26 121.76 127.08 1kj2 s ALA 91 Ca -0.00 -1.92 -0.31 0.00 0.00 0.00 0.00 51.96 49.72 1kj2 s ALA 91 Cb -0.20 -1.24 0.12 0.00 0.00 0.00 0.00 23.12 21.80 1kj2 s ALA 91 CO 0.03 -0.82 1.03 0.00 0.00 0.00 0.00 175.76 176.00 1kj2 s ALA 92 N -2.74 -1.93 0.18 0.00 0.00 0.33 -3.71 121.76 113.88 1kj2 s ALA 92 Ca 0.54 1.35 -0.19 0.00 0.00 0.00 0.00 51.96 53.67 1kj2 s ALA 92 Cb -0.04 -0.08 0.04 0.00 0.00 0.00 0.00 23.12 23.04 1kj2 s ALA 92 CO 0.35 -0.56 0.54 -0.98 0.00 0.00 0.00 175.76 175.10 1kj2 s ARG 93 N -2.37 1.33 0.07 0.00 1.70 -0.85 -1.00 118.95 117.84 1kj2 s ARG 93 Ca 0.05 -0.75 0.10 0.00 -0.47 0.00 0.00 55.73 54.65 1kj2 s ARG 93 Cb -0.01 0.54 -0.03 0.00 -0.57 0.00 0.00 34.95 34.87 1kj2 s ARG 93 CO -0.05 -0.57 -0.25 1.52 -1.08 0.00 0.00 175.30 174.86 1kj2 s TYR 94 N -3.84 2.35 -0.01 5.89 -0.85 -1.26 -0.50 117.35 119.13 1kj2 s TYR 94 Ca 0.06 -0.38 -0.37 0.00 -0.52 0.00 0.00 57.07 55.86 1kj2 s TYR 94 Cb -0.01 -1.36 -0.16 0.00 0.38 0.00 0.00 41.96 40.81 1kj2 s TYR 94 CO -0.06 0.21 1.48 0.94 -1.52 0.00 0.00 175.55 176.60 1kj2 n GLN 95 N 1.46 1.25 0.00 -3.49 0.00 -1.26 0.32 117.38 115.67 1kj2 n GLN 95 Ca -0.17 0.45 0.00 0.00 -0.00 0.00 0.00 57.00 57.28 1kj2 n GLN 95 Cb 0.52 -2.12 0.00 0.00 0.00 0.00 0.00 30.24 28.64 1kj2 n GLN 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1kj2 n GLY 96 N 3.09 1.53 3.76 1.69 0.00 -1.26 -5.04 105.19 108.96 1kj2 n GLY 96 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1kj2 n GLY 96 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kj2 s GLY 97 N -2.05 2.94 0.22 -0.02 0.00 0.15 -4.96 107.32 103.61 1kj2 s GLY 97 Ca 0.00 1.01 0.22 0.00 0.00 0.00 0.00 44.72 45.95 1kj2 s GLY 97 CO 0.00 1.70 1.09 3.21 0.00 0.00 0.00 173.10 179.10 1kj2 h ARG 101 N 4.06 0.00 -5.66 2.90 3.08 -1.96 -3.47 114.38 113.33 1kj2 h ARG 101 Ca -0.47 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 58.92 1kj2 h ARG 101 Cb 1.22 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 31.05 1kj2 h ARG 101 CO 0.69 0.01 -0.70 0.00 -1.07 0.00 0.00 179.97 178.90 1kj2 s ALA 103 N -3.34 2.92 -0.13 0.04 0.00 -1.26 -5.08 121.76 114.91 1kj2 s ALA 103 Ca 0.00 -0.86 -0.18 0.00 0.00 0.00 0.00 51.96 50.92 1kj2 s ALA 103 Cb 0.09 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 1kj2 s ALA 103 CO 0.78 0.37 0.48 -1.17 0.00 0.00 0.00 175.76 176.22 1kj2 s LEU 104 N -0.14 4.26 -0.23 0.00 2.96 -1.26 -4.77 118.68 119.50 1kj2 s LEU 104 Ca 0.02 0.79 -0.08 0.00 -0.22 0.00 0.00 54.13 54.64 1kj2 s LEU 104 Cb -0.13 -2.69 -0.03 0.00 0.50 0.00 0.00 46.19 43.83 1kj2 s LEU 104 CO 0.03 -0.02 0.08 -0.63 -1.32 0.00 0.00 176.35 174.49 1kj2 s ILE 105 N 0.75 4.56 0.01 6.68 1.01 -0.17 -4.93 121.20 129.10 1kj2 s ILE 105 Ca 0.26 -0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.79 1kj2 s ILE 105 Cb -0.15 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1kj2 s ILE 105 CO 0.10 0.37 0.18 -0.36 0.00 0.00 0.00 174.94 175.23 1kj2 s PHE 106 N 1.24 3.52 0.98 3.97 0.40 -1.26 -0.51 117.98 126.32 1kj2 s PHE 106 Ca 0.05 0.32 -0.15 0.00 -0.60 0.00 0.00 56.93 56.54 1kj2 s PHE 106 Cb -0.14 -1.80 0.19 0.00 0.51 0.00 0.00 43.02 41.77 1kj2 s PHE 106 CO 0.04 0.63 1.21 0.20 0.70 0.00 0.00 175.22 177.99 1kj2 s GLY 107 N -2.08 1.66 0.37 4.36 0.00 0.64 -4.75 107.32 107.52 1kj2 s GLY 107 Ca 0.29 -0.89 0.27 0.00 0.00 0.00 0.00 44.72 44.39 1kj2 s GLY 107 CO 0.21 -0.19 1.81 -0.91 0.00 0.00 0.00 173.10 174.02 1kj2 h THR 108 N -1.75 0.00 0.00 0.90 1.35 -1.87 -3.44 112.91 108.10 1kj2 h THR 108 Ca -0.46 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 1kj2 h THR 108 Cb 1.29 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 1kj2 h THR 108 CO 0.47 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 1kj2 n GLY 109 N 0.30 0.88 3.06 5.82 0.00 -1.26 -5.04 105.19 108.95 1kj2 n GLY 109 Ca 0.02 -1.42 -0.31 0.00 0.00 0.00 0.00 46.02 44.31 1kj2 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kj2 s THR 110 N -0.86 1.79 -0.23 2.61 2.01 -0.95 -4.49 115.64 115.53 1kj2 s THR 110 Ca 0.00 -0.81 -0.15 0.00 0.31 0.00 0.00 61.69 61.04 1kj2 s THR 110 Cb 0.00 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 1kj2 s THR 110 CO 0.00 0.46 0.39 -0.89 -0.69 0.00 0.00 174.62 173.89 1kj2 s THR 111 N 1.39 5.19 -0.13 -0.82 2.01 -0.41 -0.11 115.64 122.76 1kj2 s THR 111 Ca 0.04 0.65 -0.08 0.00 0.31 0.00 0.00 61.69 62.61 1kj2 s THR 111 Cb -0.13 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 1kj2 s THR 111 CO -0.11 0.21 0.15 -0.69 -0.69 0.00 0.00 174.62 173.49 1kj2 s VAL 112 N 1.63 5.47 -0.26 3.82 1.01 0.14 -1.26 120.40 130.95 1kj2 s VAL 112 Ca 0.17 0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.41 1kj2 s VAL 112 Cb -0.15 -3.43 0.07 0.00 0.00 0.00 0.00 36.38 32.87 1kj2 s VAL 112 CO 0.08 0.58 -0.03 -0.44 0.00 0.00 0.00 175.10 175.29 1kj2 s SER 113 N -0.76 4.14 -0.11 3.32 0.01 0.61 -2.09 113.70 118.83 1kj2 s SER 113 Ca 0.14 -1.43 -0.04 0.00 1.31 0.00 0.00 55.95 55.93 1kj2 s SER 113 Cb -0.12 -1.30 -0.04 0.00 0.21 0.00 0.00 66.02 64.77 1kj2 s SER 113 CO 0.03 -0.27 0.07 -0.69 0.41 0.00 0.00 173.24 172.80 1kj2 s VAL 114 N 1.27 4.90 -0.08 3.43 1.01 -1.26 -2.14 120.40 127.53 1kj2 s VAL 114 Ca -0.02 -0.02 -0.22 0.00 0.00 0.00 0.00 61.98 61.72 1kj2 s VAL 114 Cb -0.19 -3.10 0.05 0.00 0.00 0.00 0.00 36.38 33.13 1kj2 s VAL 114 CO -0.08 0.61 0.51 -0.55 0.00 0.00 0.00 175.10 175.59 1kj2 s SER 115 N -0.91 -0.47 0.00 3.32 0.15 -1.21 -4.57 113.70 110.00 1kj2 s SER 115 Ca 0.14 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.40 1kj2 s SER 115 Cb -0.12 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 1kj2 s SER 115 CO 0.03 -0.42 0.46 -2.65 1.20 0.00 0.00 173.24 171.86