#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2klj n GLY 2 N 0.00 -1.40 0.00 1.69 0.00 -1.26 -4.49 105.19 99.73 2klj n GLY 2 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2klj n GLY 2 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2klj n LYS 3 N -3.29 0.00 -4.50 1.61 5.02 -1.25 -4.59 118.16 111.17 2klj n LYS 3 Ca -0.03 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.02 2klj n LYS 3 Cb 0.53 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.44 2klj n LYS 3 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2klj s ILE 4 N 0.00 2.38 -0.25 -0.18 -0.00 -1.04 -1.67 121.20 120.44 2klj s ILE 4 Ca 0.00 -2.33 0.01 0.00 -0.00 0.00 0.00 60.65 58.33 2klj s ILE 4 Cb 0.00 -2.43 0.05 0.00 -0.00 0.00 0.00 42.46 40.08 2klj s ILE 4 CO 0.00 -0.33 -0.11 -0.89 -0.00 0.00 0.00 174.94 173.62 2klj s THR 5 N -2.55 2.34 -0.16 8.37 2.01 0.20 -1.40 115.64 124.45 2klj s THR 5 Ca 0.31 -1.41 -0.16 0.00 0.31 0.00 0.00 61.69 60.73 2klj s THR 5 Cb -0.02 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 2klj s THR 5 CO 0.15 0.09 0.41 -0.76 -0.69 0.00 0.00 174.62 173.82 2klj s LEU 6 N 1.18 4.23 -0.18 4.42 1.43 0.20 -0.80 118.68 129.15 2klj s LEU 6 Ca -0.05 0.64 -0.03 0.00 -1.03 0.00 0.00 54.13 53.66 2klj s LEU 6 Cb -0.18 -2.56 -0.02 0.00 0.03 0.00 0.00 46.19 43.47 2klj s LEU 6 CO -0.06 -0.00 -0.06 -0.31 0.23 0.00 0.00 176.35 176.15 2klj s TYR 7 N 0.82 2.94 0.23 0.29 1.51 0.17 0.12 117.35 123.42 2klj s TYR 7 Ca 0.21 -0.67 -0.06 0.00 -1.01 0.00 0.00 57.07 55.54 2klj s TYR 7 Cb -0.14 -1.99 0.38 0.00 -0.11 0.00 0.00 41.96 40.09 2klj s TYR 7 CO 0.08 -0.31 1.76 1.49 -1.11 0.00 0.00 175.55 177.46 2klj h GLU 8 N 7.34 0.54 -6.07 -0.62 4.81 0.13 -1.22 114.58 119.48 2klj h GLU 8 Ca -0.34 -0.03 -0.67 0.00 -0.13 0.00 0.00 59.36 58.19 2klj h GLU 8 Cb 1.18 -0.12 -0.13 0.00 0.63 0.00 0.00 28.75 30.31 2klj h GLU 8 CO 0.60 0.36 -0.62 -0.51 -0.73 0.00 0.00 179.01 178.10 2klj s ASP 9 N -5.45 5.30 0.49 1.04 1.11 -1.17 -3.03 116.67 114.96 2klj s ASP 9 Ca -0.13 0.07 0.00 0.00 0.18 0.00 0.00 52.55 52.67 2klj s ASP 9 Cb 0.19 -1.45 0.00 0.00 1.07 0.00 0.00 42.92 42.73 2klj s ASP 9 CO 0.76 0.30 0.00 -2.11 1.18 0.00 0.00 175.17 175.31 2klj n ARG 10 N 1.52 -0.13 -1.86 8.23 1.85 -1.26 -1.71 116.66 123.31 2klj n ARG 10 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.70 2klj n ARG 10 Cb 0.53 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 2klj n ARG 10 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2klj n GLY 11 N 0.00 -0.29 3.57 2.89 0.00 0.15 -0.31 105.19 111.20 2klj n GLY 11 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2klj n GLY 11 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2klj n PHE 12 N -1.84 -2.10 -3.47 1.61 3.72 -1.20 -5.00 117.46 109.18 2klj n PHE 12 Ca 0.00 0.60 0.00 0.00 -0.05 0.00 0.00 57.45 58.00 2klj n PHE 12 Cb 0.29 -3.54 0.00 0.00 -0.94 0.00 0.00 39.48 35.29 2klj n PHE 12 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2klj n GLN 13 N -3.71 1.74 0.00 -1.08 6.02 0.58 -5.04 117.38 115.88 2klj n GLN 13 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 2klj n GLN 13 Cb 0.59 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.85 2klj n GLN 13 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2klj n GLY 14 N 2.83 0.91 3.79 1.08 0.00 -1.26 -3.07 105.19 109.47 2klj n GLY 14 Ca 0.00 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 2klj n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2klj s ARG 15 N 0.00 3.87 0.06 1.61 1.81 -1.26 -4.83 118.95 120.22 2klj s ARG 15 Ca 0.00 1.42 0.01 0.00 -1.72 0.00 0.00 55.73 55.44 2klj s ARG 15 Cb 0.00 -2.21 -0.03 0.00 -0.45 0.00 0.00 34.95 32.26 2klj s ARG 15 CO 0.00 -0.38 -0.06 -3.38 -0.68 0.00 0.00 175.30 170.80 2klj s HIS 16 N -1.88 0.68 -0.08 -0.53 -3.43 -1.26 0.71 115.29 109.50 2klj s HIS 16 Ca 0.65 -0.75 -0.10 0.00 -0.80 0.00 0.00 55.06 54.06 2klj s HIS 16 Cb -0.18 -0.42 0.02 0.00 -1.43 0.00 0.00 32.58 30.57 2klj s HIS 16 CO 0.22 -0.17 0.27 -0.47 -2.00 0.00 0.00 174.74 172.60 2klj s TYR 17 N -2.62 -0.25 -0.13 0.38 5.04 0.12 -4.98 117.35 114.90 2klj s TYR 17 Ca 0.00 0.58 -0.03 0.00 -2.44 0.00 0.00 57.07 55.18 2klj s TYR 17 Cb -0.02 0.09 -0.03 0.00 0.35 0.00 0.00 41.96 42.35 2klj s TYR 17 CO -0.03 -0.21 -0.02 -2.00 -1.34 0.00 0.00 175.55 171.95 2klj s GLU 18 N -0.26 3.44 -0.17 4.97 2.12 -1.26 0.58 118.70 128.11 2klj s GLU 18 Ca -0.04 -0.47 0.00 0.00 0.36 0.00 0.00 54.97 54.82 2klj s GLU 18 Cb -0.03 -2.88 0.01 0.00 0.26 0.00 0.00 34.13 31.49 2klj s GLU 18 CO 0.01 0.41 -0.17 0.00 -0.54 0.00 0.00 175.26 174.97 2klj n SER 20 N 4.44 1.83 -3.79 0.00 3.41 -1.26 -2.50 113.62 115.75 2klj n SER 20 Ca -0.20 -1.78 -0.09 0.00 -0.26 0.00 0.00 58.87 56.55 2klj n SER 20 Cb 0.51 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 2klj n SER 20 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2klj s SER 21 N -0.78 -0.09 0.30 4.04 0.01 -1.26 -4.70 113.70 111.22 2klj s SER 21 Ca 0.01 -0.86 -0.29 0.00 1.31 0.00 0.00 55.95 56.12 2klj s SER 21 Cb 0.01 0.68 -0.13 0.00 0.21 0.00 0.00 66.02 66.79 2klj s SER 21 CO 0.01 -1.29 1.38 -0.90 0.41 0.00 0.00 173.24 172.85 2klj n ASP 22 N -0.58 2.96 -3.92 2.44 5.75 -1.26 -4.40 116.55 117.53 2klj n ASP 22 Ca -0.03 1.18 -0.16 0.00 -0.01 0.00 0.00 54.79 55.77 2klj n ASP 22 Cb 0.61 -1.49 -0.15 0.00 -1.03 0.00 0.00 41.12 39.06 2klj n ASP 22 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 2klj s HIS 23 N -0.58 0.43 -0.05 2.11 2.46 0.23 -4.96 115.29 114.93 2klj s HIS 23 Ca 0.61 -0.08 0.13 0.00 0.47 0.00 0.00 55.06 56.19 2klj s HIS 23 Cb -0.58 -0.33 -0.19 0.00 -0.13 0.00 0.00 32.58 31.35 2klj s HIS 23 CO 0.56 -0.05 0.22 0.25 -2.47 0.00 0.00 174.74 173.25 2klj n THR 24 N 3.27 0.25 -3.61 0.89 -2.24 -1.26 -1.92 114.28 109.67 2klj n THR 24 Ca -0.17 -0.37 -0.27 0.00 -2.27 0.00 0.00 64.05 60.97 2klj n THR 24 Cb 0.56 -0.07 -0.16 0.00 -2.10 0.00 0.00 70.33 68.57 2klj n THR 24 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2klj s ASN 25 N -3.82 2.93 0.00 3.42 2.47 -1.23 0.18 114.94 118.88 2klj s ASN 25 Ca -0.05 -0.93 0.27 0.00 0.42 0.00 0.00 52.86 52.56 2klj s ASN 25 Cb 0.07 -0.36 0.87 0.00 -1.45 0.00 0.00 41.25 40.38 2klj s ASN 25 CO 0.54 -0.38 1.64 0.18 -3.72 0.00 0.00 177.10 175.36 2klj n LEU 26 N 5.21 1.48 -0.07 3.21 4.77 0.39 -4.21 117.00 127.78 2klj n LEU 26 Ca -0.07 -0.47 -0.08 0.00 -0.03 0.00 0.00 56.01 55.36 2klj n LEU 26 Cb 0.46 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.50 2klj n LEU 26 CO 0.08 0.25 0.95 1.56 -1.33 0.00 0.00 177.39 178.91 2klj h GLN 27 N 2.18 0.28 -0.11 3.23 4.20 -1.71 0.55 115.11 123.73 2klj h GLN 27 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2klj h GLN 27 Cb 0.54 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.26 2klj h GLN 27 CO 0.00 0.18 0.00 -0.35 -0.67 0.00 0.00 178.83 177.99 2klj n PRO 28 N -4.97 0.21 0.02 1.46 -0.04 -1.26 -3.08 135.00 127.34 2klj n PRO 28 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2klj n PRO 28 Cb 0.06 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 2klj n PRO 28 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2klj n TYR 29 N -0.05 -0.33 -4.60 0.54 4.01 -0.47 -5.11 117.16 111.15 2klj n TYR 29 Ca 0.00 0.06 -0.23 0.00 -0.16 0.00 0.00 57.90 57.57 2klj n TYR 29 Cb 0.03 0.50 -0.16 0.00 -0.31 0.00 0.00 39.34 39.40 2klj n TYR 29 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2klj s LEU 30 N -5.28 1.84 0.14 7.72 1.43 0.18 -4.77 118.68 119.93 2klj s LEU 30 Ca 0.00 -0.26 -0.11 0.00 -1.03 0.00 0.00 54.13 52.72 2klj s LEU 30 Cb 0.00 -0.75 -0.05 0.00 0.03 0.00 0.00 46.19 45.42 2klj s LEU 30 CO 0.00 0.11 1.46 -1.28 0.23 0.00 0.00 176.35 176.87 2klj h SER 31 N 6.33 0.98 0.00 2.29 0.87 -1.83 -3.36 113.55 118.84 2klj h SER 31 Ca -0.33 -0.47 0.00 0.00 -1.23 0.00 0.00 61.79 59.76 2klj h SER 31 Cb 1.17 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 2klj h SER 31 CO 0.48 1.26 -0.34 -2.11 -0.53 0.00 0.00 176.83 175.59 2klj n ARG 32 N -4.07 0.26 -3.06 2.24 1.85 -1.26 -4.91 116.66 107.70 2klj n ARG 32 Ca -0.03 0.00 -0.06 0.00 -1.00 0.00 0.00 57.85 56.76 2klj n ARG 32 Cb 0.55 -0.67 0.00 0.00 -1.05 0.00 0.00 32.46 31.30 2klj n ARG 32 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2klj n ASN 34 N -1.29 3.32 -3.88 0.00 2.04 -0.51 -4.77 115.26 110.18 2klj n ASN 34 Ca 0.01 -2.00 -0.11 0.00 -0.44 0.00 0.00 54.58 52.04 2klj n ASN 34 Cb 0.51 -0.16 -0.10 0.00 -2.53 0.00 0.00 39.78 37.50 2klj n ASN 34 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 2klj s SER 35 N -1.67 0.05 0.05 0.53 1.04 -0.92 0.26 113.70 113.03 2klj s SER 35 Ca 0.35 -0.23 -0.17 0.00 0.48 0.00 0.00 55.95 56.38 2klj s SER 35 Cb 0.22 0.19 0.03 0.00 0.10 0.00 0.00 66.02 66.56 2klj s SER 35 CO 0.31 -0.35 0.38 0.00 0.98 0.00 0.00 173.24 174.56 2klj s ALA 36 N -1.36 -0.92 -0.03 5.32 0.00 0.30 0.45 121.76 125.51 2klj s ALA 36 Ca -0.14 0.22 -0.00 0.00 0.00 0.00 0.00 51.96 52.04 2klj s ALA 36 Cb -0.08 0.35 0.03 0.00 0.00 0.00 0.00 23.12 23.42 2klj s ALA 36 CO 0.01 -0.45 0.02 1.03 0.00 0.00 0.00 175.76 176.37 2klj s ARG 37 N -2.52 0.20 -0.11 0.00 0.52 0.02 0.15 118.95 117.20 2klj s ARG 37 Ca -0.05 0.16 -0.02 0.00 -0.52 0.00 0.00 55.73 55.30 2klj s ARG 37 Cb -0.01 -0.50 -0.03 0.00 0.52 0.00 0.00 34.95 34.93 2klj s ARG 37 CO -0.03 -0.20 -0.03 0.08 0.02 0.00 0.00 175.30 175.14 2klj s VAL 38 N 1.37 3.99 -0.17 3.52 1.01 -1.10 0.63 120.40 129.65 2klj s VAL 38 Ca -0.05 -0.35 -0.22 0.00 0.00 0.00 0.00 61.98 61.36 2klj s VAL 38 Cb -0.13 -2.69 -0.19 0.00 0.00 0.00 0.00 36.38 33.37 2klj s VAL 38 CO -0.03 0.56 0.35 -0.78 0.00 0.00 0.00 175.10 175.20 2klj h ASP 39 N 5.78 0.00 -0.15 3.32 3.58 -1.67 -3.24 116.42 124.05 2klj h ASP 39 Ca -0.43 -0.60 0.05 0.00 0.42 0.00 0.00 57.03 56.48 2klj h ASP 39 Cb 1.18 0.00 -0.16 0.00 1.72 0.00 0.00 39.33 42.08 2klj h ASP 39 CO 0.57 1.21 -0.10 -0.44 -2.88 0.00 0.00 179.24 177.61 2klj s SER 40 N -6.48 -0.21 0.00 2.28 0.01 -1.26 -4.85 113.70 103.19 2klj s SER 40 Ca -0.23 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 56.82 2klj s SER 40 Cb 0.02 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.53 2klj s SER 40 CO 0.56 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.81 2klj n GLY 41 N 2.84 -1.30 3.49 3.44 0.00 -1.26 -4.36 105.19 108.04 2klj n GLY 41 Ca 0.10 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 2klj n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2klj s TRP 43 N -0.98 -0.34 -0.08 0.00 0.52 0.22 -2.67 118.94 115.61 2klj s TRP 43 Ca 0.16 0.83 0.05 0.00 0.02 0.00 0.00 56.10 57.15 2klj s TRP 43 Cb -0.11 0.11 -0.00 0.00 -1.15 0.00 0.00 33.47 32.32 2klj s TRP 43 CO 0.07 -0.18 -0.24 1.41 0.02 0.00 0.00 176.95 178.03 2klj s MET 44 N 0.37 2.76 0.17 4.98 1.75 -0.84 0.92 119.30 129.40 2klj s MET 44 Ca -0.02 -0.86 0.10 0.00 -1.25 0.00 0.00 55.69 53.66 2klj s MET 44 Cb -0.03 -2.19 -0.04 0.00 2.84 0.00 0.00 34.83 35.41 2klj s MET 44 CO -0.02 0.25 -0.19 -0.51 -0.65 0.00 0.00 175.02 173.91 2klj s LEU 45 N 0.15 2.62 -0.05 4.11 1.43 -0.97 -0.98 118.68 124.99 2klj s LEU 45 Ca -0.12 -0.71 0.04 0.00 -1.03 0.00 0.00 54.13 52.30 2klj s LEU 45 Cb -0.16 -1.38 -0.00 0.00 0.03 0.00 0.00 46.19 44.67 2klj s LEU 45 CO 0.07 0.13 -0.17 -0.31 0.23 0.00 0.00 176.35 176.30 2klj s TYR 46 N -1.50 1.73 0.52 0.29 1.51 0.79 -1.37 117.35 119.32 2klj s TYR 46 Ca 0.20 -0.51 0.27 0.00 -1.01 0.00 0.00 57.07 56.02 2klj s TYR 46 Cb -0.09 -1.17 1.40 0.00 -0.11 0.00 0.00 41.96 41.99 2klj s TYR 46 CO 0.11 -0.18 1.95 1.05 -1.11 0.00 0.00 175.55 177.37 2klj h GLU 47 N 6.31 0.04 -6.32 -0.62 4.11 -1.01 -1.94 114.58 115.15 2klj h GLU 47 Ca -0.32 -0.00 -0.61 0.00 0.07 0.00 0.00 59.36 58.50 2klj h GLU 47 Cb 1.18 -0.01 -0.14 0.00 0.50 0.00 0.00 28.75 30.28 2klj h GLU 47 CO 0.48 0.03 -0.74 -0.65 0.07 0.00 0.00 179.01 178.19 2klj s GLN 48 N -5.04 1.85 0.98 1.06 -0.21 -0.39 -3.61 119.66 114.30 2klj s GLN 48 Ca -0.05 -1.56 -0.12 0.00 0.02 0.00 0.00 55.36 53.64 2klj s GLN 48 Cb 0.20 -1.94 0.18 0.00 1.00 0.00 0.00 33.01 32.45 2klj s GLN 48 CO 0.75 0.37 1.09 -2.14 -2.12 0.00 0.00 175.29 173.24 2klj s PRO 49 N -3.28 0.60 -1.53 2.91 0.02 -1.26 -2.88 135.00 129.58 2klj s PRO 49 Ca 0.28 0.66 0.00 0.00 0.02 0.00 0.00 61.00 61.96 2klj s PRO 49 Cb -0.06 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.71 2klj s PRO 49 CO 0.15 -2.65 0.00 0.09 -0.33 0.00 0.00 177.00 174.26 2klj n ASN 50 N -4.14 -5.09 -3.05 2.53 5.03 0.13 -3.09 115.26 107.57 2klj n ASN 50 Ca 0.06 0.10 -0.05 0.00 0.87 0.00 0.00 54.58 55.56 2klj n ASN 50 Cb 0.56 -4.29 0.00 0.00 -1.02 0.00 0.00 39.78 35.04 2klj n ASN 50 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2klj n TYR 51 N -3.64 -3.07 -3.97 3.10 4.01 -1.24 -5.05 117.16 107.29 2klj n TYR 51 Ca -0.21 1.20 -0.11 0.00 -0.16 0.00 0.00 57.90 58.63 2klj n TYR 51 Cb 0.65 -3.98 -0.12 0.00 -0.31 0.00 0.00 39.34 35.58 2klj n TYR 51 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2klj s SER 52 N -2.85 0.28 0.00 7.72 0.01 -1.14 -5.04 113.70 112.67 2klj s SER 52 Ca 0.08 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 56.99 2klj s SER 52 Cb -0.02 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.27 2klj s SER 52 CO 0.77 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.84 2klj n GLY 53 N 2.05 -0.56 3.75 3.44 0.00 -1.26 -1.26 105.19 111.35 2klj n GLY 53 Ca -0.20 -1.54 -0.40 0.00 0.00 0.00 0.00 46.02 43.88 2klj n GLY 53 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2klj s LEU 54 N 0.00 4.59 0.39 0.99 2.96 -1.26 -4.83 118.68 121.53 2klj s LEU 54 Ca 0.00 2.09 0.07 0.00 -0.22 0.00 0.00 54.13 56.06 2klj s LEU 54 Cb 0.00 -3.62 -0.08 0.00 0.50 0.00 0.00 46.19 43.00 2klj s LEU 54 CO 0.00 -0.01 0.01 0.00 -1.32 0.00 0.00 176.35 175.03 2klj s GLN 55 N -1.16 1.91 -0.06 1.98 0.00 -1.26 -0.69 119.66 120.39 2klj s GLN 55 Ca 0.43 -2.07 -0.02 0.00 -0.00 0.00 0.00 55.36 53.70 2klj s GLN 55 Cb -0.29 -1.52 0.04 0.00 0.00 0.00 0.00 33.01 31.24 2klj s GLN 55 CO 0.36 -0.06 0.12 0.71 0.00 0.00 0.00 175.29 176.41 2klj s TYR 56 N -2.80 -0.10 -0.04 9.60 1.51 -0.47 -4.95 117.35 120.09 2klj s TYR 56 Ca 0.35 0.41 -0.27 0.00 -1.01 0.00 0.00 57.07 56.55 2klj s TYR 56 Cb 0.10 -0.19 -0.03 0.00 -0.11 0.00 0.00 41.96 41.72 2klj s TYR 56 CO 0.18 -0.17 0.88 0.12 -1.11 0.00 0.00 175.55 175.44 2klj s PHE 57 N 1.48 3.61 -0.07 2.71 5.36 -1.26 -2.29 117.98 127.52 2klj s PHE 57 Ca -0.05 1.52 0.05 0.00 -0.96 0.00 0.00 56.93 57.48 2klj s PHE 57 Cb -0.12 -3.01 -0.01 0.00 -0.34 0.00 0.00 43.02 39.54 2klj s PHE 57 CO -0.05 0.00 -0.23 -0.51 -1.46 0.00 0.00 175.22 172.98 2klj s LEU 58 N 1.03 2.20 0.16 6.12 1.02 0.26 -4.87 118.68 124.60 2klj s LEU 58 Ca 0.46 -0.47 0.05 0.00 0.02 0.00 0.00 54.13 54.19 2klj s LEU 58 Cb -0.20 -1.42 -0.04 0.00 0.02 0.00 0.00 46.19 44.55 2klj s LEU 58 CO 0.23 0.23 -0.11 -0.60 0.02 0.00 0.00 176.35 176.13 2klj s ARG 59 N -0.10 1.11 -0.29 1.70 3.52 -1.26 -0.61 118.95 123.02 2klj s ARG 59 Ca -0.05 -1.47 -0.26 0.00 -0.13 0.00 0.00 55.73 53.82 2klj s ARG 59 Cb -0.14 -0.72 -0.11 0.00 -1.56 0.00 0.00 34.95 32.42 2klj s ARG 59 CO 0.04 0.10 1.14 -2.13 -0.81 0.00 0.00 175.30 173.64 2klj n ARG 60 N -0.22 0.00 0.00 5.12 0.63 -1.15 -4.79 116.66 116.24 2klj n ARG 60 Ca -0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.83 2klj n ARG 60 Cb 0.60 -0.86 0.00 0.00 0.45 0.00 0.00 32.46 32.65 2klj n ARG 60 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2klj n GLY 61 N 3.73 3.94 3.77 5.14 0.00 -1.22 -5.01 105.19 115.55 2klj n GLY 61 Ca 0.28 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 2klj n GLY 61 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2klj s ASP 62 N 0.00 7.25 -0.21 1.61 -4.77 -1.26 -2.72 116.67 116.57 2klj s ASP 62 Ca 0.00 1.95 -0.03 0.00 -3.30 0.00 0.00 52.55 51.17 2klj s ASP 62 Cb 0.00 -2.59 0.07 0.00 -1.09 0.00 0.00 42.92 39.31 2klj s ASP 62 CO 0.00 -0.13 0.07 -0.31 0.70 0.00 0.00 175.17 175.50 2klj s TYR 63 N -1.50 0.73 -2.28 2.11 2.02 0.38 -4.97 117.35 113.85 2klj s TYR 63 Ca 0.50 -0.77 0.26 0.00 -0.37 0.00 0.00 57.07 56.69 2klj s TYR 63 Cb -0.22 -0.97 0.69 0.00 -0.40 0.00 0.00 41.96 41.06 2klj s TYR 63 CO 0.28 -0.63 1.53 0.00 -1.57 0.00 0.00 175.55 175.16 2klj n ALA 64 N 5.13 2.85 -3.23 3.71 0.00 -1.26 0.11 120.51 127.81 2klj n ALA 64 Ca -0.07 -0.50 -0.13 0.00 0.00 0.00 0.00 53.44 52.74 2klj n ALA 64 Cb 0.47 -1.05 -0.08 0.00 0.00 0.00 0.00 19.45 18.78 2klj n ALA 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2klj s ASP 65 N -2.22 -0.22 0.18 0.00 1.01 -1.19 0.33 116.67 114.55 2klj s ASP 65 Ca 0.30 0.10 -0.14 0.00 0.71 0.00 0.00 52.55 53.52 2klj s ASP 65 Cb 0.20 0.34 0.10 0.00 1.01 0.00 0.00 42.92 44.56 2klj s ASP 65 CO 0.42 -0.49 1.81 1.12 0.21 0.00 0.00 175.17 178.25 2klj h HIS 66 N 3.69 0.58 -0.77 4.23 2.07 0.31 -1.80 115.15 123.47 2klj h HIS 66 Ca -0.30 0.02 0.22 0.00 -2.85 0.00 0.00 60.37 57.46 2klj h HIS 66 Cb 1.18 -0.19 -0.03 0.00 2.57 0.00 0.00 27.41 30.94 2klj h HIS 66 CO 0.50 0.33 0.81 -0.56 -3.07 0.00 0.00 177.93 175.94 2klj h GLN 67 N 0.61 0.00 -0.70 5.12 3.07 -1.84 0.15 115.11 121.52 2klj h GLN 67 Ca 0.20 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.90 2klj h GLN 67 Cb 0.01 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.54 2klj h GLN 67 CO -0.09 0.00 0.25 1.96 0.09 0.00 0.00 178.83 181.04 2klj h GLN 68 N 0.00 1.07 -0.83 0.06 1.08 -1.64 -2.58 115.11 112.27 2klj h GLN 68 Ca 0.36 -0.21 -0.12 0.00 -1.45 0.00 0.00 58.65 57.23 2klj h GLN 68 Cb 1.97 -0.16 -0.07 0.00 -0.05 0.00 0.00 27.48 29.17 2klj h GLN 68 CO -0.00 0.91 0.15 -2.67 -0.95 0.00 0.00 178.83 176.26 2klj n TRP 69 N -4.33 1.53 -1.03 2.96 2.14 0.42 -4.80 117.44 114.33 2klj n TRP 69 Ca 0.05 -0.77 -0.01 0.00 2.07 0.00 0.00 57.50 58.84 2klj n TRP 69 Cb 0.20 -0.48 -0.00 0.00 -0.81 0.00 0.00 31.31 30.22 2klj n TRP 69 CO 0.00 0.00 0.00 -1.33 2.07 0.00 0.00 177.69 178.43 2klj n MET 70 N 0.06 -0.30 -1.56 -2.67 2.81 -0.97 -4.41 117.12 110.07 2klj n MET 70 Ca 0.25 0.23 -0.42 0.00 -1.81 0.00 0.00 57.70 55.95 2klj n MET 70 Cb 0.99 -3.59 -0.04 0.00 -0.71 0.00 0.00 33.22 29.87 2klj n MET 70 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2klj n GLY 71 N -2.40 0.64 0.19 3.03 0.00 -0.50 -4.75 105.19 101.39 2klj n GLY 71 Ca -0.01 0.77 0.07 0.00 0.00 0.00 0.00 46.02 46.85 2klj n GLY 71 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2klj h LEU 72 N 16.06 0.00 -7.59 0.99 3.38 -1.91 -3.29 115.31 122.95 2klj h LEU 72 Ca -0.33 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.40 2klj h LEU 72 Cb 1.26 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.71 2klj h LEU 72 CO 1.04 0.34 -0.67 -0.94 0.09 0.00 0.00 178.44 178.31 2klj s SER 73 N -6.34 -0.03 0.00 -0.43 1.04 -1.26 -5.01 113.70 101.67 2klj s SER 73 Ca 0.01 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.57 2klj s SER 73 Cb 0.10 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.28 2klj s SER 73 CO 0.68 -0.07 0.58 -0.90 0.98 0.00 0.00 173.24 174.51 2klj n ASP 74 N 3.59 1.64 -4.24 7.02 5.75 -1.26 -4.67 116.55 124.38 2klj n ASP 74 Ca -0.19 -1.13 -0.32 0.00 -0.01 0.00 0.00 54.79 53.14 2klj n ASP 74 Cb 0.55 -0.31 -0.17 0.00 -1.03 0.00 0.00 41.12 40.17 2klj n ASP 74 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2klj s SER 75 N 1.38 3.14 -0.30 -1.12 0.01 -1.26 -4.62 113.70 110.94 2klj s SER 75 Ca 0.00 -0.53 -0.10 0.00 1.31 0.00 0.00 55.95 56.63 2klj s SER 75 Cb 0.00 -1.27 0.18 0.00 0.21 0.00 0.00 66.02 65.14 2klj s SER 75 CO 0.00 0.18 0.92 0.54 0.41 0.00 0.00 173.24 175.29 2klj s VAL 76 N 0.20 -0.53 -0.46 3.43 0.11 -1.25 -4.06 120.40 117.85 2klj s VAL 76 Ca -0.14 0.00 0.11 0.00 -2.93 0.00 0.00 61.98 59.01 2klj s VAL 76 Cb -0.17 -1.00 0.29 0.00 -1.53 0.00 0.00 36.38 33.97 2klj s VAL 76 CO 0.07 0.00 1.22 0.54 -3.33 0.00 0.00 175.10 173.61 2klj n ARG 77 N 5.43 2.74 -3.68 1.54 1.74 -0.74 -4.72 116.66 118.97 2klj n ARG 77 Ca -0.06 -2.17 -0.14 0.00 -0.77 0.00 0.00 57.85 54.71 2klj n ARG 77 Cb 0.53 -1.37 -0.08 0.00 -1.02 0.00 0.00 32.46 30.52 2klj n ARG 77 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2klj s SER 78 N -1.42 -0.43 -0.08 0.55 1.04 -1.16 0.15 113.70 112.33 2klj s SER 78 Ca 0.23 0.60 -0.27 0.00 0.48 0.00 0.00 55.95 56.99 2klj s SER 78 Cb 0.16 0.65 0.06 0.00 0.10 0.00 0.00 66.02 66.99 2klj s SER 78 CO 0.09 -0.37 0.63 0.00 0.98 0.00 0.00 173.24 174.57 2klj s ARG 80 N -0.90 1.28 -0.19 0.00 1.70 -0.15 0.74 118.95 121.43 2klj s ARG 80 Ca -0.09 -1.47 -0.08 0.00 -0.47 0.00 0.00 55.73 53.61 2klj s ARG 80 Cb -0.02 0.34 -0.04 0.00 -0.57 0.00 0.00 34.95 34.65 2klj s ARG 80 CO 0.07 -0.46 0.09 -1.17 -1.08 0.00 0.00 175.30 172.76 2klj s LEU 81 N -3.10 3.99 -0.38 -1.89 2.96 -1.26 -1.99 118.68 117.01 2klj s LEU 81 Ca 0.32 0.15 -0.23 0.00 -0.22 0.00 0.00 54.13 54.15 2klj s LEU 81 Cb 0.05 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.73 2klj s LEU 81 CO 0.10 0.18 0.75 -0.63 -1.32 0.00 0.00 176.35 175.43 2klj s ILE 82 N 0.32 4.75 0.32 6.68 1.01 -1.09 -4.85 121.20 128.35 2klj s ILE 82 Ca 0.05 0.74 -0.27 0.00 0.00 0.00 0.00 60.65 61.17 2klj s ILE 82 Cb -0.12 -4.20 -0.13 0.00 0.01 0.00 0.00 42.46 38.02 2klj s ILE 82 CO -0.01 -0.46 0.90 -2.65 0.00 0.00 0.00 174.94 172.73 2klj n PRO 83 N 6.39 1.13 -4.06 2.79 -0.02 -1.26 -4.53 135.00 135.43 2klj n PRO 83 Ca 0.02 0.40 -0.22 0.00 -2.02 0.00 0.00 63.50 61.67 2klj n PRO 83 Cb 0.48 -1.76 -0.05 0.00 -0.02 0.00 0.00 33.50 32.15 2klj n PRO 83 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2klj s HIS 84 N -1.15 2.82 -0.03 6.00 -3.43 -1.26 -4.15 115.29 114.10 2klj s HIS 84 Ca 0.60 -0.29 -0.21 0.00 -0.80 0.00 0.00 55.06 54.37 2klj s HIS 84 Cb -0.68 -1.57 0.04 0.00 -1.43 0.00 0.00 32.58 28.94 2klj s HIS 84 CO 0.59 0.38 0.45 0.45 -2.00 0.00 0.00 174.74 174.60 2klj s SER 85 N -3.85 -0.37 0.04 7.38 0.15 -1.26 -4.82 113.70 110.97 2klj s SER 85 Ca 0.37 0.33 -0.25 0.00 0.70 0.00 0.00 55.95 57.09 2klj s SER 85 Cb -0.05 0.40 -0.17 0.00 -1.71 0.00 0.00 66.02 64.49 2klj s SER 85 CO 0.24 -0.50 1.48 1.23 1.20 0.00 0.00 173.24 176.88 2klj h GLY 86 N 3.56 -0.15 -4.09 9.45 0.00 -2.01 -3.44 103.07 106.39 2klj h GLY 86 Ca -0.29 0.06 -0.56 0.00 0.00 0.00 0.00 47.33 46.54 2klj h GLY 86 CO 0.39 -0.05 -0.40 -0.56 0.00 0.00 0.00 176.54 175.92 2klj s SER 87 N -5.27 6.38 -0.08 0.19 0.01 -1.26 -5.11 113.70 108.56 2klj s SER 87 Ca -0.15 0.32 -0.01 0.00 1.31 0.00 0.00 55.95 57.42 2klj s SER 87 Cb 0.04 -1.98 0.03 0.00 0.21 0.00 0.00 66.02 64.32 2klj s SER 87 CO 0.64 0.03 -0.00 -1.00 0.41 0.00 0.00 173.24 173.32 2klj s HIS 88 N -1.75 0.74 -0.09 2.43 0.09 -1.26 -4.13 115.29 111.31 2klj s HIS 88 Ca 0.37 -0.22 -0.05 0.00 -0.00 0.00 0.00 55.06 55.16 2klj s HIS 88 Cb -0.11 -0.84 0.04 0.00 -0.00 0.00 0.00 32.58 31.67 2klj s HIS 88 CO 0.28 -0.35 0.22 1.03 -0.00 0.00 0.00 174.74 175.92 2klj s ARG 89 N 1.95 0.18 -0.02 1.40 0.52 -1.24 -4.49 118.95 117.26 2klj s ARG 89 Ca 0.05 0.47 -0.04 0.00 -0.52 0.00 0.00 55.73 55.68 2klj s ARG 89 Cb -0.12 -0.11 0.00 0.00 0.52 0.00 0.00 34.95 35.24 2klj s ARG 89 CO -0.06 -0.15 0.10 -1.50 0.02 0.00 0.00 175.30 173.71 2klj s ILE 90 N 1.11 0.04 -0.26 1.52 2.07 -0.93 -2.29 121.20 122.46 2klj s ILE 90 Ca -0.08 -0.35 0.01 0.00 -1.41 0.00 0.00 60.65 58.82 2klj s ILE 90 Cb -0.10 -0.26 0.07 0.00 0.13 0.00 0.00 42.46 42.31 2klj s ILE 90 CO -0.07 -0.19 -0.02 -0.13 -1.91 0.00 0.00 174.94 172.62 2klj s ARG 91 N -0.61 1.53 0.24 3.50 0.52 -0.95 -1.00 118.95 122.18 2klj s ARG 91 Ca -0.07 -1.18 -0.17 0.00 -0.52 0.00 0.00 55.73 53.79 2klj s ARG 91 Cb -0.04 -2.64 -0.08 0.00 0.52 0.00 0.00 34.95 32.71 2klj s ARG 91 CO 0.00 -0.70 0.69 -0.51 0.02 0.00 0.00 175.30 174.80 2klj s LEU 92 N 1.32 4.25 -0.03 2.53 1.43 -0.95 0.32 118.68 127.54 2klj s LEU 92 Ca -0.01 1.30 0.06 0.00 -1.03 0.00 0.00 54.13 54.45 2klj s LEU 92 Cb -0.19 -3.70 -0.01 0.00 0.03 0.00 0.00 46.19 42.32 2klj s LEU 92 CO -0.09 -0.04 -0.21 -0.31 0.23 0.00 0.00 176.35 175.93 2klj s TYR 93 N -1.67 1.97 0.01 0.29 1.51 0.21 -2.60 117.35 117.07 2klj s TYR 93 Ca 0.46 -0.45 -0.04 0.00 -1.01 0.00 0.00 57.07 56.03 2klj s TYR 93 Cb -0.14 -1.28 -0.02 0.00 -0.11 0.00 0.00 41.96 40.41 2klj s TYR 93 CO 0.20 -0.09 1.06 1.49 -1.11 0.00 0.00 175.55 177.10 2klj h GLU 94 N 5.81 -0.09 -6.34 -0.62 4.81 -1.45 -2.27 114.58 114.43 2klj h GLU 94 Ca -0.37 0.01 -0.54 0.00 -0.13 0.00 0.00 59.36 58.33 2klj h GLU 94 Cb 1.15 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 2klj h GLU 94 CO 0.48 -0.06 -0.17 -0.98 -0.73 0.00 0.00 179.01 177.54 2klj s ARG 95 N -3.31 2.25 0.88 1.92 1.70 -1.26 -1.58 118.95 119.54 2klj s ARG 95 Ca -0.02 -1.85 -0.12 0.00 -0.47 0.00 0.00 55.73 53.28 2klj s ARG 95 Cb 0.01 -2.40 0.11 0.00 -0.57 0.00 0.00 34.95 32.10 2klj s ARG 95 CO 0.07 -0.81 1.07 0.39 -1.08 0.00 0.00 175.30 174.94 2klj n GLU 96 N -2.08 -0.21 0.00 3.89 1.02 -1.14 -4.37 120.64 117.76 2klj n GLU 96 Ca 0.09 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2klj n GLU 96 Cb 0.63 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 2klj n GLU 96 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2klj n ASP 97 N -3.52 0.00 -2.69 1.62 9.92 -0.01 -3.64 116.55 118.23 2klj n ASP 97 Ca 0.12 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.33 2klj n ASP 97 Cb 0.52 0.00 0.12 0.00 -0.64 0.00 0.00 41.12 41.12 2klj n ASP 97 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2klj n TYR 98 N 8.07 -2.21 -0.12 1.24 4.01 -1.26 -4.82 117.16 122.08 2klj n TYR 98 Ca 0.00 -1.86 0.06 0.00 -0.16 0.00 0.00 57.90 55.94 2klj n TYR 98 Cb 0.00 1.53 0.16 0.00 -0.31 0.00 0.00 39.34 40.72 2klj n TYR 98 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2klj n ARG 99 N -0.97 2.62 -3.60 -0.72 3.00 -1.24 -4.99 116.66 110.75 2klj n ARG 99 Ca -0.09 -2.02 -0.23 0.00 -0.01 0.00 0.00 57.85 55.50 2klj n ARG 99 Cb 0.86 -1.30 -0.01 0.00 0.00 0.00 0.00 32.46 32.01 2klj n ARG 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2klj n GLY 100 N 0.66 3.00 3.74 -0.13 0.00 -1.26 -4.96 105.19 106.24 2klj n GLY 100 Ca 0.12 -2.29 -0.37 0.00 0.00 0.00 0.00 46.02 43.48 2klj n GLY 100 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2klj s GLN 101 N -3.78 2.88 -0.05 1.61 2.00 -1.26 -4.66 119.66 116.41 2klj s GLN 101 Ca 0.20 2.02 0.03 0.00 -2.00 0.00 0.00 55.36 55.61 2klj s GLN 101 Cb -0.02 -1.99 0.00 0.00 0.80 0.00 0.00 33.01 31.80 2klj s GLN 101 CO 0.13 -1.33 -0.15 1.41 -0.50 0.00 0.00 175.29 174.85 2klj s MET 102 N -3.22 1.63 -0.03 1.67 -2.45 -1.26 -1.29 119.30 114.34 2klj s MET 102 Ca 0.78 -0.51 -0.01 0.00 -1.25 0.00 0.00 55.69 54.69 2klj s MET 102 Cb -0.36 -1.40 0.02 0.00 1.25 0.00 0.00 34.83 34.34 2klj s MET 102 CO 0.39 0.17 0.06 -1.50 1.05 0.00 0.00 175.02 175.19 2klj s ILE 103 N 0.22 -0.03 0.09 10.11 2.07 -1.07 -5.03 121.20 127.56 2klj s ILE 103 Ca -0.07 0.12 0.02 0.00 -1.41 0.00 0.00 60.65 59.31 2klj s ILE 103 Cb -0.12 -0.11 -0.04 0.00 0.13 0.00 0.00 42.46 42.32 2klj s ILE 103 CO 0.02 0.05 0.16 -0.70 -1.91 0.00 0.00 174.94 172.56 2klj s GLU 104 N 0.64 3.17 -0.05 3.50 2.12 -1.26 -2.25 118.70 124.56 2klj s GLU 104 Ca -0.05 -0.61 0.02 0.00 0.36 0.00 0.00 54.97 54.68 2klj s GLU 104 Cb -0.07 -2.86 0.02 0.00 0.26 0.00 0.00 34.13 31.47 2klj s GLU 104 CO -0.02 0.56 -0.08 -0.06 -0.54 0.00 0.00 175.26 175.12 2klj s PHE 105 N -1.53 1.05 -0.10 5.30 0.08 -0.17 -5.01 117.98 117.60 2klj s PHE 105 Ca 0.32 -0.35 0.15 0.00 0.12 0.00 0.00 56.93 57.17 2klj s PHE 105 Cb -0.12 -0.83 0.31 0.00 -0.57 0.00 0.00 43.02 41.81 2klj s PHE 105 CO 0.25 -0.22 1.15 0.25 -0.10 0.00 0.00 175.22 176.55 2klj n THR 106 N 3.92 1.17 -3.78 0.64 -2.24 -1.26 -2.19 114.28 110.53 2klj n THR 106 Ca -0.24 -1.84 -0.06 0.00 -2.27 0.00 0.00 64.05 59.64 2klj n THR 106 Cb 0.51 0.21 0.02 0.00 -2.10 0.00 0.00 70.33 68.97 2klj n THR 106 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2klj n GLU 107 N -0.59 0.84 -2.16 -0.78 0.28 -1.26 -4.92 120.64 112.05 2klj n GLU 107 Ca 0.11 -1.72 -0.42 0.00 -0.16 0.00 0.00 57.16 54.98 2klj n GLU 107 Cb 0.79 2.21 -0.03 0.00 1.43 0.00 0.00 31.44 35.85 2klj n GLU 107 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 2klj s ASP 108 N -3.03 6.83 -0.57 -1.84 -4.77 -1.26 -4.62 116.67 107.41 2klj s ASP 108 Ca 0.17 2.44 0.02 0.00 -3.30 0.00 0.00 52.55 51.87 2klj s ASP 108 Cb -0.04 -2.61 0.14 0.00 -1.09 0.00 0.00 42.92 39.33 2klj s ASP 108 CO 0.08 -0.59 0.34 0.00 0.70 0.00 0.00 175.17 175.69 2klj h SER 110 N 6.65 0.48 -2.74 0.00 4.64 -1.93 -0.30 113.55 120.34 2klj h SER 110 Ca -0.05 -0.18 -0.57 0.00 -0.47 0.00 0.00 61.79 60.52 2klj h SER 110 Cb 0.91 -0.13 -0.39 0.00 -0.31 0.00 0.00 62.40 62.47 2klj h SER 110 CO 0.70 0.77 -0.82 0.00 -0.87 0.00 0.00 176.83 176.61 2klj h LEU 112 N 7.40 1.08 0.00 0.00 6.46 -1.31 -1.90 115.31 127.04 2klj h LEU 112 Ca -0.02 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 2klj h LEU 112 Cb 0.98 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.65 2klj h LEU 112 CO 0.33 0.75 0.26 0.00 -0.62 0.00 0.00 178.44 179.17 2klj n GLN 113 N -4.44 0.00 0.01 1.25 3.00 -1.26 0.26 117.38 116.19 2klj n GLN 113 Ca 0.13 0.22 0.07 0.00 -0.01 0.00 0.00 57.00 57.40 2klj n GLN 113 Cb 0.07 -1.76 -0.12 0.00 0.00 0.00 0.00 30.24 28.42 2klj n GLN 113 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2klj n ASP 114 N -1.21 0.30 -0.13 1.08 8.00 -0.71 -4.57 116.55 119.30 2klj n ASP 114 Ca 0.00 0.12 -0.23 0.00 0.71 0.00 0.00 54.79 55.39 2klj n ASP 114 Cb 0.26 1.28 -0.11 0.00 -0.02 0.00 0.00 41.12 42.53 2klj n ASP 114 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2klj n ARG 115 N -2.50 0.59 -5.05 -1.24 5.12 0.71 -5.01 116.66 109.29 2klj n ARG 115 Ca -0.08 0.20 -0.28 0.00 -1.93 0.00 0.00 57.85 55.76 2klj n ARG 115 Cb 0.68 -1.47 -0.16 0.00 -1.16 0.00 0.00 32.46 30.35 2klj n ARG 115 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 2klj s PHE 116 N -2.49 2.01 0.00 -1.55 -0.71 -0.11 -5.09 117.98 110.03 2klj s PHE 116 Ca -0.36 -0.51 0.00 0.00 -1.04 0.00 0.00 56.93 55.03 2klj s PHE 116 Cb 0.12 -1.32 0.00 0.00 -1.21 0.00 0.00 43.02 40.61 2klj s PHE 116 CO 0.52 -0.13 0.25 0.54 -1.34 0.00 0.00 175.22 175.06 2klj n ARG 117 N 2.85 0.00 -1.31 1.99 5.12 -1.26 -4.38 116.66 119.68 2klj n ARG 117 Ca -0.17 0.00 -0.46 0.00 -1.93 0.00 0.00 57.85 55.29 2klj n ARG 117 Cb 0.52 -0.74 -0.04 0.00 -1.16 0.00 0.00 32.46 31.05 2klj n ARG 117 CO 0.00 0.00 0.00 1.97 -1.93 0.00 0.00 177.63 177.67 2klj n PHE 118 N -0.26 -0.27 0.25 -1.55 -1.74 -1.26 -4.83 117.46 107.80 2klj n PHE 118 Ca 0.00 0.91 0.09 0.00 -0.56 0.00 0.00 57.45 57.89 2klj n PHE 118 Cb 0.00 -1.83 0.24 0.00 1.52 0.00 0.00 39.48 39.41 2klj n PHE 118 CO 0.00 0.00 0.00 0.27 -0.56 0.00 0.00 176.76 176.47 2klj n ASN 119 N 1.77 2.94 -4.03 5.98 0.23 -1.26 -4.87 115.26 116.01 2klj n ASN 119 Ca 0.17 -2.00 -0.25 0.00 -0.53 0.00 0.00 54.58 51.97 2klj n ASN 119 Cb 0.20 -0.37 -0.17 0.00 -2.08 0.00 0.00 39.78 37.37 2klj n ASN 119 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2klj s GLU 120 N -1.27 1.81 -0.24 -3.83 2.02 -1.26 0.05 118.70 115.98 2klj s GLU 120 Ca 0.37 -0.44 -0.05 0.00 0.02 0.00 0.00 54.97 54.87 2klj s GLU 120 Cb 0.19 -1.51 -0.01 0.00 0.10 0.00 0.00 34.13 32.90 2klj s GLU 120 CO 0.25 0.01 0.00 0.42 0.02 0.00 0.00 175.26 175.96 2klj s ILE 121 N 0.74 3.65 -0.42 -1.63 -1.09 -1.09 -4.62 121.20 116.75 2klj s ILE 121 Ca -0.13 -0.49 0.05 0.00 -2.23 0.00 0.00 60.65 57.85 2klj s ILE 121 Cb -0.16 -2.73 0.43 0.00 -1.58 0.00 0.00 42.46 38.43 2klj s ILE 121 CO 0.03 0.33 1.20 1.41 -1.23 0.00 0.00 174.94 176.68 2klj n HIS 122 N 4.83 3.17 0.00 3.97 8.25 -0.62 -4.50 115.22 130.32 2klj n HIS 122 Ca -0.17 -2.78 0.00 0.00 -0.26 0.00 0.00 57.72 54.51 2klj n HIS 122 Cb 0.50 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.36 2klj n HIS 122 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2klj n SER 123 N -0.57 0.00 -3.46 0.41 3.41 -1.23 -2.87 113.62 109.32 2klj n SER 123 Ca 0.42 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.90 2klj n SER 123 Cb 0.74 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.66 2klj n SER 123 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 2klj s LEU 124 N 0.00 -0.56 -0.39 1.04 0.05 -0.97 0.68 118.68 118.53 2klj s LEU 124 Ca 0.00 0.17 0.02 0.00 0.05 0.00 0.00 54.13 54.37 2klj s LEU 124 Cb 0.00 2.49 0.12 0.00 -2.05 0.00 0.00 46.19 46.74 2klj s LEU 124 CO 0.00 -0.82 0.16 0.21 -0.55 0.00 0.00 176.35 175.35 2klj s ASN 125 N -2.32 4.13 -0.52 1.48 2.47 0.15 -0.33 114.94 119.99 2klj s ASN 125 Ca -0.01 -2.32 -0.29 0.00 0.42 0.00 0.00 52.86 50.67 2klj s ASN 125 Cb -0.01 -1.23 0.03 0.00 -1.45 0.00 0.00 41.25 38.59 2klj s ASN 125 CO -0.07 -0.33 1.18 -0.69 -3.72 0.00 0.00 177.10 173.48 2klj s VAL 126 N 0.71 4.10 -0.14 -5.21 1.01 -0.57 -2.24 120.40 118.06 2klj s VAL 126 Ca 0.14 1.06 -0.25 0.00 0.00 0.00 0.00 61.98 62.93 2klj s VAL 126 Cb -0.22 -4.64 -0.25 0.00 0.00 0.00 0.00 36.38 31.28 2klj s VAL 126 CO -0.08 -1.15 0.63 -0.07 0.00 0.00 0.00 175.10 174.43 2klj h LEU 127 N 11.63 0.08 -8.13 3.92 -0.00 -1.74 -1.95 115.31 119.12 2klj h LEU 127 Ca -0.24 -0.87 -0.41 0.00 -0.00 0.00 0.00 57.88 56.36 2klj h LEU 127 Cb 1.06 -0.03 -0.27 0.00 -0.00 0.00 0.00 40.66 41.42 2klj h LEU 127 CO 1.15 1.21 -0.78 -0.70 -0.00 0.00 0.00 178.44 179.32 2klj s GLU 128 N -2.30 0.83 1.49 1.13 2.56 -1.14 -4.88 118.70 116.39 2klj s GLU 128 Ca -0.21 -0.47 0.00 0.00 0.00 0.00 0.00 54.97 54.29 2klj s GLU 128 Cb 0.00 -0.80 0.00 0.00 2.00 0.00 0.00 34.13 35.33 2klj s GLU 128 CO 0.69 0.21 0.00 0.41 -0.56 0.00 0.00 175.26 176.01 2klj n GLY 129 N 2.55 -1.23 3.46 -1.50 0.00 -1.26 -3.59 105.19 103.62 2klj n GLY 129 Ca -0.15 -1.05 -0.24 0.00 0.00 0.00 0.00 46.02 44.58 2klj n GLY 129 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2klj s SER 130 N -4.92 3.52 0.19 1.61 1.04 -1.26 -3.93 113.70 109.95 2klj s SER 130 Ca 0.00 -1.02 0.05 0.00 0.48 0.00 0.00 55.95 55.45 2klj s SER 130 Cb 0.00 -0.29 -0.05 0.00 0.10 0.00 0.00 66.02 65.78 2klj s SER 130 CO 0.00 0.03 -0.07 0.26 0.98 0.00 0.00 173.24 174.44 2klj s TRP 131 N -2.50 1.45 -0.07 5.02 0.52 -0.24 -1.97 118.94 121.15 2klj s TRP 131 Ca 0.29 -0.79 0.04 0.00 0.02 0.00 0.00 56.10 55.66 2klj s TRP 131 Cb -0.05 -0.77 0.00 0.00 -1.15 0.00 0.00 33.47 31.51 2klj s TRP 131 CO 0.14 0.09 -0.18 0.54 0.02 0.00 0.00 176.95 177.56 2klj s VAL 132 N -3.30 1.54 -0.05 4.03 0.11 -0.74 -0.40 120.40 121.60 2klj s VAL 132 Ca 0.22 -0.74 -0.02 0.00 -2.93 0.00 0.00 61.98 58.51 2klj s VAL 132 Cb 0.03 -1.35 -0.04 0.00 -1.53 0.00 0.00 36.38 33.50 2klj s VAL 132 CO 0.04 0.44 0.06 -0.76 -3.33 0.00 0.00 175.10 171.56 2klj s LEU 133 N 0.34 3.84 0.45 2.54 1.43 -0.31 -2.07 118.68 124.91 2klj s LEU 133 Ca -0.12 0.18 0.06 0.00 -1.03 0.00 0.00 54.13 53.22 2klj s LEU 133 Cb -0.15 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.96 2klj s LEU 133 CO 0.05 0.33 0.22 -0.31 0.23 0.00 0.00 176.35 176.86 2klj s TYR 134 N -1.06 2.31 -0.43 0.29 1.51 0.21 0.21 117.35 120.39 2klj s TYR 134 Ca 0.18 -0.68 0.22 0.00 -1.01 0.00 0.00 57.07 55.78 2klj s TYR 134 Cb -0.12 -1.92 -0.16 0.00 -0.11 0.00 0.00 41.96 39.66 2klj s TYR 134 CO 0.08 0.03 0.80 -1.91 -1.11 0.00 0.00 175.55 173.45 2klj n GLU 135 N -1.37 0.40 0.00 -0.62 2.13 -1.03 -0.85 120.64 119.31 2klj n GLU 135 Ca -0.03 -0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.72 2klj n GLU 135 Cb 0.65 -1.57 0.00 0.00 0.27 0.00 0.00 31.44 30.79 2klj n GLU 135 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 2klj n LEU 136 N -2.06 0.00 0.00 4.31 -0.00 -1.26 -3.66 117.00 114.33 2klj n LEU 136 Ca -0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.87 2klj n LEU 136 Cb 0.48 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.93 2klj n LEU 136 CO 0.43 0.00 0.19 -1.20 -0.00 0.00 0.00 177.39 176.81 2klj n SER 137 N 0.00 1.54 -2.47 1.45 7.64 -1.26 -0.94 113.62 119.58 2klj n SER 137 Ca 0.00 -2.04 -0.03 0.00 1.01 0.00 0.00 58.87 57.81 2klj n SER 137 Cb 0.00 -0.21 -0.00 0.00 -1.01 0.00 0.00 64.21 62.98 2klj n SER 137 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2klj n ASN 138 N -2.41 -1.72 -3.49 6.43 3.02 0.22 -2.73 115.26 114.58 2klj n ASN 138 Ca 0.08 0.42 -0.24 0.00 -0.03 0.00 0.00 54.58 54.80 2klj n ASN 138 Cb 0.39 -1.57 0.01 0.00 -0.61 0.00 0.00 39.78 37.99 2klj n ASN 138 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2klj n TYR 139 N -2.71 -1.85 -2.82 3.10 4.01 -1.26 -4.92 117.16 110.72 2klj n TYR 139 Ca -0.04 0.77 -0.01 0.00 -0.16 0.00 0.00 57.90 58.46 2klj n TYR 139 Cb 0.52 -2.11 0.05 0.00 -0.31 0.00 0.00 39.34 37.49 2klj n TYR 139 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 2klj n ARG 140 N -1.79 1.66 0.00 -0.72 1.85 -1.11 -5.09 116.66 111.47 2klj n ARG 140 Ca -0.23 -3.35 0.00 0.00 -1.00 0.00 0.00 57.85 53.27 2klj n ARG 140 Cb 0.59 -1.46 0.00 0.00 -1.05 0.00 0.00 32.46 30.54 2klj n ARG 140 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2klj n GLY 141 N -0.62 4.01 3.86 2.89 0.00 -1.26 -4.96 105.19 109.11 2klj n GLY 141 Ca 0.06 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 2klj n GLY 141 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2klj s ARG 142 N 4.66 2.24 -0.05 1.61 1.81 -1.26 -4.87 118.95 123.10 2klj s ARG 142 Ca 0.00 0.39 -0.06 0.00 -1.72 0.00 0.00 55.73 54.34 2klj s ARG 142 Cb 0.00 -1.96 0.01 0.00 -0.45 0.00 0.00 34.95 32.56 2klj s ARG 142 CO 0.00 -1.46 0.16 -0.65 -0.68 0.00 0.00 175.30 172.68 2klj s GLN 143 N -5.36 0.28 0.01 3.54 1.11 -1.26 -2.47 119.66 115.51 2klj s GLN 143 Ca 0.60 0.06 0.05 0.00 0.01 0.00 0.00 55.36 56.08 2klj s GLN 143 Cb -0.12 0.13 -0.02 0.00 -1.01 0.00 0.00 33.01 31.99 2klj s GLN 143 CO 0.52 -0.05 -0.17 0.71 0.01 0.00 0.00 175.29 176.31 2klj s TYR 144 N -0.33 1.51 -0.21 0.91 2.02 0.13 -4.94 117.35 116.44 2klj s TYR 144 Ca -0.04 -0.31 -0.13 0.00 -0.37 0.00 0.00 57.07 56.21 2klj s TYR 144 Cb -0.03 -0.94 -0.04 0.00 -0.40 0.00 0.00 41.96 40.54 2klj s TYR 144 CO 0.01 0.01 0.29 -1.17 -1.57 0.00 0.00 175.55 173.11 2klj s LEU 145 N -0.66 4.16 -0.26 -1.29 2.96 -1.26 -1.16 118.68 121.17 2klj s LEU 145 Ca 0.06 0.37 -0.02 0.00 -0.22 0.00 0.00 54.13 54.32 2klj s LEU 145 Cb -0.07 -2.34 0.02 0.00 0.50 0.00 0.00 46.19 44.31 2klj s LEU 145 CO 0.00 0.01 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.25 2klj s LEU 146 N 1.02 3.30 0.62 -0.68 2.01 0.47 -4.99 118.68 120.42 2klj s LEU 146 Ca 0.14 -0.86 -0.03 0.00 0.01 0.00 0.00 54.13 53.40 2klj s LEU 146 Cb -0.14 -1.70 0.04 0.00 0.01 0.00 0.00 46.19 44.41 2klj s LEU 146 CO 0.06 -0.14 0.89 -0.04 1.01 0.00 0.00 176.35 178.13 2klj s MET 147 N 1.35 2.47 -0.20 1.70 -1.94 -1.26 -1.08 119.30 120.34 2klj s MET 147 Ca 0.00 -0.43 -0.29 0.00 -1.71 0.00 0.00 55.69 53.26 2klj s MET 147 Cb -0.17 -2.32 -0.04 0.00 2.01 0.00 0.00 34.83 34.31 2klj s MET 147 CO -0.03 -0.92 1.84 -2.14 -0.01 0.00 0.00 175.02 173.76 2klj s PRO 148 N -4.99 3.63 0.00 2.03 0.02 -1.25 -4.71 135.00 129.73 2klj s PRO 148 Ca 0.58 1.86 0.00 0.00 0.02 0.00 0.00 61.00 63.46 2klj s PRO 148 Cb -0.11 -4.16 0.00 0.00 0.02 0.00 0.00 34.50 30.26 2klj s PRO 148 CO 0.42 -1.51 0.00 0.41 -0.33 0.00 0.00 177.00 175.99 2klj n GLY 149 N 5.01 -0.21 3.70 0.52 0.00 -0.73 -5.00 105.19 108.47 2klj n GLY 149 Ca 0.22 -1.11 -0.36 0.00 0.00 0.00 0.00 46.02 44.77 2klj n GLY 149 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2klj s ASP 150 N 0.00 6.23 -0.08 1.61 -1.08 -1.26 -1.52 116.67 120.57 2klj s ASP 150 Ca 0.00 0.25 0.04 0.00 -0.52 0.00 0.00 52.55 52.32 2klj s ASP 150 Cb 0.00 -2.12 -0.01 0.00 -1.46 0.00 0.00 42.92 39.33 2klj s ASP 150 CO 0.00 0.10 -0.19 -0.31 0.52 0.00 0.00 175.17 175.29 2klj s TYR 151 N 0.71 2.61 -1.62 -5.34 1.51 0.55 -5.00 117.35 110.77 2klj s TYR 151 Ca 0.10 -0.62 0.14 0.00 -1.01 0.00 0.00 57.07 55.68 2klj s TYR 151 Cb -0.13 -1.68 0.08 0.00 -0.11 0.00 0.00 41.96 40.12 2klj s TYR 151 CO 0.02 -0.15 0.90 0.54 -1.11 0.00 0.00 175.55 175.74 2klj n ARG 152 N 3.04 1.19 -3.84 -0.62 5.12 -1.26 -2.29 116.66 118.00 2klj n ARG 152 Ca -0.18 -1.18 -0.04 0.00 -1.93 0.00 0.00 57.85 54.53 2klj n ARG 152 Cb 0.52 -1.25 0.01 0.00 -1.16 0.00 0.00 32.46 30.59 2klj n ARG 152 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2klj s ARG 153 N -1.30 1.45 0.24 5.56 3.03 -1.22 -0.83 118.95 125.88 2klj s ARG 153 Ca 0.15 -0.91 0.12 0.00 2.03 0.00 0.00 55.73 57.12 2klj s ARG 153 Cb 0.11 0.42 0.13 0.00 -1.03 0.00 0.00 34.95 34.59 2klj s ARG 153 CO 0.22 -0.68 1.47 0.10 -1.13 0.00 0.00 175.30 175.28 2klj h TYR 154 N 2.00 0.00 0.00 5.89 -0.00 -1.82 -3.10 116.97 119.94 2klj h TYR 154 Ca -0.27 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.41 2klj h TYR 154 Cb 1.23 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.95 2klj h TYR 154 CO 1.14 0.69 -0.20 1.96 -0.00 0.00 0.00 178.16 181.76 2klj h GLN 155 N 0.00 0.00 -0.72 0.10 4.20 -1.91 -2.82 115.11 113.96 2klj h GLN 155 Ca -0.01 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.83 2klj h GLN 155 Cb 1.38 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 29.07 2klj h GLN 155 CO 0.09 0.20 0.30 -0.44 -0.67 0.00 0.00 178.83 178.31 2klj h ASP 156 N 0.00 0.30 -0.58 1.46 3.32 -1.91 0.38 116.42 119.39 2klj h ASP 156 Ca -0.00 0.10 -0.17 0.00 0.02 0.00 0.00 57.03 56.97 2klj h ASP 156 Cb 0.78 0.07 -0.10 0.00 0.22 0.00 0.00 39.33 40.30 2klj h ASP 156 CO 0.03 0.14 0.22 -2.67 -1.72 0.00 0.00 179.24 175.23 2klj n TRP 157 N -4.98 1.92 -3.23 4.55 2.14 -1.20 -4.94 117.44 111.70 2klj n TRP 157 Ca 0.13 -0.98 -0.08 0.00 2.07 0.00 0.00 57.50 58.64 2klj n TRP 157 Cb 0.37 -0.58 0.00 0.00 -0.81 0.00 0.00 31.31 30.29 2klj n TRP 157 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2klj n GLY 158 N -0.06 -1.21 3.02 -1.67 0.00 0.13 -4.89 105.19 100.52 2klj n GLY 158 Ca 0.32 0.61 -0.21 0.00 0.00 0.00 0.00 46.02 46.74 2klj n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2klj s ALA 159 N -2.90 0.93 0.40 4.61 0.00 -1.07 -5.01 121.76 118.72 2klj s ALA 159 Ca 0.04 -0.39 0.30 0.00 0.00 0.00 0.00 51.96 51.91 2klj s ALA 159 Cb -0.01 -0.32 1.56 0.00 0.00 0.00 0.00 23.12 24.35 2klj s ALA 159 CO 0.79 0.17 2.10 0.00 0.00 0.00 0.00 175.76 178.82 2klj h THR 160 N 5.27 0.42 -2.18 0.00 1.03 -1.96 -3.39 112.91 112.10 2klj h THR 160 Ca -0.33 -0.47 -0.02 0.00 -0.01 0.00 0.00 66.41 65.59 2klj h THR 160 Cb 1.17 1.33 -0.00 0.00 -1.07 0.00 0.00 68.15 69.57 2klj h THR 160 CO 0.49 0.09 0.01 0.59 -0.01 0.00 0.00 175.52 176.68 2klj n ASN 161 N -3.50 -0.22 -0.01 0.00 5.03 -1.26 -5.07 115.26 110.24 2klj n ASN 161 Ca -0.02 -1.21 0.02 0.00 0.87 0.00 0.00 54.58 54.24 2klj n ASN 161 Cb 0.23 0.38 -0.05 0.00 -1.02 0.00 0.00 39.78 39.32 2klj n ASN 161 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2klj n ALA 162 N -2.72 2.16 -0.82 5.41 0.00 -1.26 -4.89 120.51 118.39 2klj n ALA 162 Ca -0.02 -0.21 -0.39 0.00 0.00 0.00 0.00 53.44 52.82 2klj n ALA 162 Cb 0.07 -0.15 -0.08 0.00 0.00 0.00 0.00 19.45 19.29 2klj n ALA 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2klj n ARG 163 N -1.84 0.00 -5.07 0.00 1.74 -1.26 -2.67 116.66 107.56 2klj n ARG 163 Ca -0.03 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.75 2klj n ARG 163 Cb 0.29 -0.97 -0.17 0.00 -1.02 0.00 0.00 32.46 30.60 2klj n ARG 163 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2klj s VAL 164 N 3.78 1.83 -0.10 1.55 1.01 0.11 -4.50 120.40 124.07 2klj s VAL 164 Ca 0.77 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.93 2klj s VAL 164 Cb -0.97 -1.58 -0.12 0.00 0.00 0.00 0.00 36.38 33.71 2klj s VAL 164 CO 0.43 0.51 0.02 0.61 0.00 0.00 0.00 175.10 176.67 2klj n GLY 165 N 3.45 -0.46 3.80 4.51 0.00 -0.03 -4.65 105.19 111.82 2klj n GLY 165 Ca -0.19 -0.16 -0.05 0.00 0.00 0.00 0.00 46.02 45.62 2klj n GLY 165 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2klj s SER 166 N -4.25 -0.21 -0.06 1.61 1.04 -0.12 -1.10 113.70 110.62 2klj s SER 166 Ca -0.06 -0.49 -0.30 0.00 0.48 0.00 0.00 55.95 55.58 2klj s SER 166 Cb 0.03 0.59 0.11 0.00 0.10 0.00 0.00 66.02 66.85 2klj s SER 166 CO 0.39 -1.09 0.93 -1.48 0.98 0.00 0.00 173.24 172.97 2klj s LEU 167 N -2.94 -0.36 0.33 2.42 2.34 -0.12 0.66 118.68 121.00 2klj s LEU 167 Ca 0.12 0.13 -0.07 0.00 0.06 0.00 0.00 54.13 54.37 2klj s LEU 167 Cb -0.03 1.97 0.01 0.00 -0.56 0.00 0.00 46.19 47.57 2klj s LEU 167 CO 0.04 -0.53 0.53 0.00 -1.06 0.00 0.00 176.35 175.34 2klj s ARG 168 N -2.48 1.88 -0.09 1.48 1.70 -0.88 0.64 118.95 121.20 2klj s ARG 168 Ca 0.03 -1.58 -0.28 0.00 -0.47 0.00 0.00 55.73 53.43 2klj s ARG 168 Cb -0.01 0.48 -0.02 0.00 -0.57 0.00 0.00 34.95 34.83 2klj s ARG 168 CO -0.05 -0.80 0.93 -0.98 -1.08 0.00 0.00 175.30 173.31 2klj s ARG 169 N -3.16 4.43 -0.28 3.89 1.70 -1.26 -1.79 118.95 122.48 2klj s ARG 169 Ca 0.26 1.25 -0.01 0.00 -0.47 0.00 0.00 55.73 56.76 2klj s ARG 169 Cb -0.01 -3.52 0.17 0.00 -0.57 0.00 0.00 34.95 31.02 2klj s ARG 169 CO 0.16 -0.22 2.08 1.55 -1.08 0.00 0.00 175.30 177.79 2klj n VAL 170 N 4.36 2.71 -4.66 4.99 3.14 -0.83 -4.85 118.33 123.19 2klj n VAL 170 Ca 0.06 -1.57 -0.32 0.00 -2.96 0.00 0.00 64.34 59.55 2klj n VAL 170 Cb 0.50 -1.38 -0.17 0.00 -1.06 0.00 0.00 33.84 31.73 2klj n VAL 170 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2klj s ILE 171 N -1.94 1.96 -0.02 1.55 1.09 -1.26 -4.75 121.20 117.83 2klj s ILE 171 Ca 0.29 -0.92 0.03 0.00 -1.10 0.00 0.00 60.65 58.95 2klj s ILE 171 Cb 0.22 -1.74 0.05 0.00 -1.06 0.00 0.00 42.46 39.93 2klj s ILE 171 CO -0.01 0.53 0.86 -0.67 -0.10 0.00 0.00 174.94 175.55 2klj n ASP 172 N 4.07 1.13 -0.12 3.58 -0.08 -1.26 -4.79 116.55 119.07 2klj n ASP 172 Ca -0.20 -1.86 -0.09 0.00 -1.51 0.00 0.00 54.79 51.13 2klj n ASP 172 Cb 0.52 -0.10 -0.01 0.00 2.34 0.00 0.00 41.12 43.87 2klj n ASP 172 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 2klj h PHE 173 N 0.00 0.51 -0.03 -0.67 -1.00 -1.89 -3.37 116.94 110.49 2klj h PHE 173 Ca 0.00 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.76 2klj h PHE 173 Cb 0.87 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 40.27 2klj h PHE 173 CO 0.01 0.42 0.00 -1.13 -1.61 0.00 0.00 178.31 176.00