#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2klb n ILE 2 N 0.00-12.14 -2.68 -1.33 -0.00 -1.24 -1.63 119.36 100.33 2klb n ILE 2 Ca 0.00 2.48 -0.42 0.00 -0.00 0.00 0.00 62.75 64.81 2klb n ILE 2 Cb 0.00 -6.42 -0.03 0.00 -0.00 0.00 0.00 39.64 33.19 2klb n ILE 2 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 2klb s GLY 3 N -0.83 1.24 -0.56 7.39 0.00 -0.28 -0.93 107.32 113.35 2klb s GLY 3 Ca -0.22 -1.90 -0.25 0.00 0.00 0.00 0.00 44.72 42.35 2klb s GLY 3 CO 0.75 2.43 0.97 0.14 0.00 0.00 0.00 173.10 177.39 2klb s VAL 4 N 4.72 4.34 -0.23 1.40 1.01 0.85 -0.50 120.40 131.99 2klb s VAL 4 Ca 0.34 0.35 -0.15 0.00 0.00 0.00 0.00 61.98 62.52 2klb s VAL 4 Cb -0.08 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 2klb s VAL 4 CO 0.04 -1.15 0.37 -0.36 0.00 0.00 0.00 175.10 174.01 2klb s PHE 5 N 4.08 3.32 0.27 5.22 0.08 -0.37 -0.52 117.98 130.05 2klb s PHE 5 Ca 0.32 0.51 0.03 0.00 0.12 0.00 0.00 56.93 57.91 2klb s PHE 5 Cb -0.12 -2.53 -0.03 0.00 -0.57 0.00 0.00 43.02 39.77 2klb s PHE 5 CO 0.20 -0.09 0.22 1.52 -0.10 0.00 0.00 175.22 176.96 2klb s TYR 6 N 1.61 1.47 -0.40 0.36 1.13 -0.72 -3.71 117.35 117.08 2klb s TYR 6 Ca 0.17 -1.53 0.03 0.00 -1.41 0.00 0.00 57.07 54.34 2klb s TYR 6 Cb -0.15 -0.63 0.11 0.00 -1.10 0.00 0.00 41.96 40.19 2klb s TYR 6 CO 0.08 -0.77 0.14 0.54 -2.51 0.00 0.00 175.55 173.03 2klb s VAL 7 N -3.77 2.21 0.42 -3.49 0.11 -1.26 -1.24 120.40 113.39 2klb s VAL 7 Ca 0.40 -2.61 0.17 0.00 -2.93 0.00 0.00 61.98 57.01 2klb s VAL 7 Cb 0.04 -2.60 0.38 0.00 -1.53 0.00 0.00 36.38 32.67 2klb s VAL 7 CO 0.20 -0.69 1.87 0.28 -3.33 0.00 0.00 175.10 173.43 2klb h SER 8 N 7.22 0.39 0.10 3.54 0.02 -1.95 -1.77 113.55 121.11 2klb h SER 8 Ca -0.06 0.04 -0.17 0.00 -0.84 0.00 0.00 61.79 60.75 2klb h SER 8 Cb 0.97 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.47 2klb h SER 8 CO 0.57 0.17 -0.63 -0.08 -1.14 0.00 0.00 176.83 175.72 2klb h GLU 9 N 0.40 0.51 -6.27 3.45 4.81 -2.01 -3.44 114.58 112.04 2klb h GLU 9 Ca 0.44 -0.36 -0.66 0.00 -0.13 0.00 0.00 59.36 58.65 2klb h GLU 9 Cb 1.10 0.06 -0.14 0.00 0.63 0.00 0.00 28.75 30.39 2klb h GLU 9 CO -0.16 0.98 -0.67 -0.47 -0.73 0.00 0.00 179.01 177.96 2klb s TYR 10 N -3.85 2.99 0.00 0.92 5.04 -0.67 -5.03 117.35 116.76 2klb s TYR 10 Ca -0.07 0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.57 2klb s TYR 10 Cb 0.11 -1.60 0.00 0.00 0.35 0.00 0.00 41.96 40.82 2klb s TYR 10 CO 0.84 0.45 0.00 0.41 -1.34 0.00 0.00 175.55 175.91 2klb n GLY 11 N 1.13 0.19 0.51 8.97 0.00 -1.26 -3.65 105.19 111.07 2klb n GLY 11 Ca -0.13 -0.82 0.05 0.00 0.00 0.00 0.00 46.02 45.11 2klb n GLY 11 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2klb n TYR 12 N -0.68 0.35 -0.18 1.61 4.01 -1.26 -4.69 117.16 116.33 2klb n TYR 12 Ca 0.00 -0.18 0.04 0.00 -0.16 0.00 0.00 57.90 57.61 2klb n TYR 12 Cb 0.00 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.12 2klb n TYR 12 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2klb n SER 13 N 0.29 -0.14 -0.11 7.72 7.64 -1.24 0.78 113.62 128.56 2klb n SER 13 Ca 0.10 0.86 -0.09 0.00 1.01 0.00 0.00 58.87 60.74 2klb n SER 13 Cb 0.24 -0.27 -0.01 0.00 -1.01 0.00 0.00 64.21 63.15 2klb n SER 13 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 2klb h ASP 14 N 0.00 0.43 -0.50 6.43 2.03 -1.84 0.12 116.42 123.09 2klb h ASP 14 Ca 0.26 -0.10 -0.08 0.00 -0.73 0.00 0.00 57.03 56.38 2klb h ASP 14 Cb 0.44 -0.11 -0.02 0.00 -0.83 0.00 0.00 39.33 38.81 2klb h ASP 14 CO -0.50 0.41 0.03 0.03 -1.03 0.00 0.00 179.24 178.18 2klb h ARG 15 N 0.42 0.92 -0.67 4.15 2.47 -0.01 -2.00 114.38 119.67 2klb h ARG 15 Ca 0.12 -0.25 -0.01 0.00 -1.26 0.00 0.00 59.98 58.57 2klb h ARG 15 Cb 0.08 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.26 2klb h ARG 15 CO -0.02 0.90 0.37 -0.07 0.56 0.00 0.00 179.97 181.71 2klb h LEU 16 N 0.86 0.84 -0.33 3.04 3.38 -0.74 -1.77 115.31 120.59 2klb h LEU 16 Ca 0.16 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2klb h LEU 16 Cb 0.47 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2klb h LEU 16 CO 0.02 0.69 0.17 0.00 0.09 0.00 0.00 178.44 179.41 2klb h ALA 17 N 1.18 0.40 -0.94 1.53 0.00 -0.54 -0.34 119.26 120.55 2klb h ALA 17 Ca 0.24 0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.32 2klb h ALA 17 Cb 0.04 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.69 2klb h ALA 17 CO -0.04 -0.20 0.60 0.37 0.00 0.00 0.00 179.25 179.98 2klb h GLN 18 N 0.35 0.66 0.27 0.00 4.15 -0.99 0.30 115.11 119.85 2klb h GLN 18 Ca 0.14 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 2klb h GLN 18 Cb 0.04 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.58 2klb h GLN 18 CO -0.09 0.44 -0.13 0.00 -1.93 0.00 0.00 178.83 177.12 2klb h ALA 19 N 1.61 -0.36 -0.43 3.38 0.00 -0.44 -3.10 119.26 119.90 2klb h ALA 19 Ca 0.50 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.26 2klb h ALA 19 Cb 0.86 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 2klb h ALA 19 CO -0.26 -0.51 0.18 0.82 0.00 0.00 0.00 179.25 179.49 2klb h ILE 20 N -0.76 0.91 0.00 0.00 2.04 -0.51 -2.12 117.51 117.06 2klb h ILE 20 Ca -0.04 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 2klb h ILE 20 Cb 0.50 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2klb h ILE 20 CO 0.06 0.07 -0.01 0.40 0.00 0.00 0.00 178.15 178.67 2klb h ILE 21 N 0.37 0.71 0.06 -0.67 2.04 -1.05 -3.27 117.51 115.70 2klb h ILE 21 Ca 0.20 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 66.03 2klb h ILE 21 Cb 0.16 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 2klb h ILE 21 CO -0.18 0.01 -0.07 -1.13 0.00 0.00 0.00 178.15 176.78 2klb h ASN 22 N 0.00 -0.21 -0.70 1.72 -1.24 -1.30 -0.42 115.58 113.44 2klb h ASN 22 Ca -0.00 0.02 0.03 0.00 0.71 0.00 0.00 56.30 57.05 2klb h ASN 22 Cb 0.01 0.07 -0.04 0.00 0.73 0.00 0.00 38.32 39.10 2klb h ASN 22 CO 0.00 -0.09 0.46 1.23 -1.29 0.00 0.00 177.43 177.74 2klb h GLY 23 N -0.13 0.97 0.79 1.57 0.00 -1.71 -1.80 103.07 102.77 2klb h GLY 23 Ca -0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 2klb h GLY 23 CO -0.02 0.31 0.00 -2.22 0.00 0.00 0.00 176.54 174.62 2klb h ILE 24 N 0.87 1.25 -0.25 2.60 2.04 -1.59 -1.75 117.51 120.68 2klb h ILE 24 Ca 0.27 -0.82 -0.10 0.00 1.00 0.00 0.00 64.86 65.22 2klb h ILE 24 Cb 0.01 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2klb h ILE 24 CO -0.07 0.24 -0.26 0.71 0.00 0.00 0.00 178.15 178.77 2klb h THR 25 N 0.02 1.27 0.00 -0.27 1.35 -0.84 -1.47 112.91 112.98 2klb h THR 25 Ca 0.04 -1.29 -0.03 0.00 -0.55 0.00 0.00 66.41 64.59 2klb h THR 25 Cb 0.36 1.36 -0.00 0.00 -1.73 0.00 0.00 68.15 68.14 2klb h THR 25 CO 0.01 0.41 -0.13 0.50 -0.25 0.00 0.00 175.52 176.05 2klb h LYS 26 N 0.43 0.00 0.00 4.72 3.64 -1.26 -0.52 116.57 123.58 2klb h LYS 26 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2klb h LYS 26 Cb 0.68 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2klb h LYS 26 CO 0.05 0.13 -0.04 2.41 -2.27 0.00 0.00 179.45 179.73 2klb n THR 27 N -3.40 0.36 -1.02 1.00 -1.04 -0.67 -4.88 114.28 104.64 2klb n THR 27 Ca -0.01 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2klb n THR 27 Cb 0.31 -0.52 0.00 0.00 -1.82 0.00 0.00 70.33 68.31 2klb n THR 27 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2klb n GLY 28 N 1.38 0.92 3.39 3.41 0.00 -0.20 -4.72 105.19 109.37 2klb n GLY 28 Ca 0.06 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 2klb n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2klb s VAL 29 N -2.00 2.71 0.15 1.61 1.01 -0.63 -5.01 120.40 118.25 2klb s VAL 29 Ca 0.00 -0.84 -0.19 0.00 0.00 0.00 0.00 61.98 60.95 2klb s VAL 29 Cb 0.00 -2.05 -0.07 0.00 0.00 0.00 0.00 36.38 34.26 2klb s VAL 29 CO 0.00 0.57 0.64 -0.83 0.00 0.00 0.00 175.10 175.48 2klb s GLY 30 N -0.41 2.64 0.02 4.51 0.00 -1.26 -3.73 107.32 109.09 2klb s GLY 30 Ca 0.04 0.08 0.02 0.00 0.00 0.00 0.00 44.72 44.86 2klb s GLY 30 CO 0.02 0.46 0.00 -1.34 0.00 0.00 0.00 173.10 172.24 2klb s VAL 31 N -1.33 4.14 -0.64 1.40 -7.23 -1.24 -2.09 120.40 113.41 2klb s VAL 31 Ca 0.36 -0.70 -0.07 0.00 -1.81 0.00 0.00 61.98 59.76 2klb s VAL 31 Cb -0.18 -2.88 0.17 0.00 0.56 0.00 0.00 36.38 34.04 2klb s VAL 31 CO 0.21 0.30 0.50 -1.81 -0.31 0.00 0.00 175.10 173.98 2klb s ASP 32 N -1.78 5.72 -0.22 4.85 1.01 -0.11 -4.71 116.67 121.43 2klb s ASP 32 Ca 0.22 -2.59 -0.18 0.00 0.71 0.00 0.00 52.55 50.70 2klb s ASP 32 Cb -0.12 -1.98 -0.03 0.00 1.01 0.00 0.00 42.92 41.81 2klb s ASP 32 CO 0.13 -0.49 0.53 -0.69 0.21 0.00 0.00 175.17 174.85 2klb s VAL 33 N 0.33 5.08 -0.03 -1.27 1.01 -1.26 -0.11 120.40 124.16 2klb s VAL 33 Ca 0.15 0.96 0.04 0.00 0.00 0.00 0.00 61.98 63.12 2klb s VAL 33 Cb -0.19 -3.85 -0.00 0.00 0.00 0.00 0.00 36.38 32.34 2klb s VAL 33 CO -0.04 0.14 -0.15 -0.69 0.00 0.00 0.00 175.10 174.35 2klb s VAL 34 N 1.91 1.26 -0.18 2.92 1.01 0.32 -4.94 120.40 122.70 2klb s VAL 34 Ca 0.24 -0.64 -0.23 0.00 0.00 0.00 0.00 61.98 61.35 2klb s VAL 34 Cb -0.15 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 2klb s VAL 34 CO 0.09 0.37 0.72 -0.62 0.00 0.00 0.00 175.10 175.66 2klb s ASP 35 N -0.05 6.81 0.11 3.32 2.15 -1.26 -1.75 116.67 125.98 2klb s ASP 35 Ca -0.01 0.99 0.25 0.00 0.43 0.00 0.00 52.55 54.21 2klb s ASP 35 Cb -0.09 -2.39 0.58 0.00 -0.30 0.00 0.00 42.92 40.72 2klb s ASP 35 CO 0.01 -0.32 1.51 0.00 -0.17 0.00 0.00 175.17 176.20 2klb n LEU 36 N 5.08 0.61 0.06 -1.34 -0.00 -0.37 -3.98 117.00 117.06 2klb n LEU 36 Ca 0.01 0.30 -0.05 0.00 -0.00 0.00 0.00 56.01 56.27 2klb n LEU 36 Cb 0.49 -0.26 0.14 0.00 -0.00 0.00 0.00 43.42 43.80 2klb n LEU 36 CO 0.46 -0.05 0.55 1.23 -0.00 0.00 0.00 177.39 179.59 2klb h GLY 37 N 4.65 0.37 -0.85 1.47 0.00 -1.93 -2.81 103.07 103.98 2klb h GLY 37 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2klb h GLY 37 CO 0.00 0.36 0.00 0.00 0.00 0.00 0.00 176.54 176.90 2klb n ALA 38 N -2.48 2.58 -1.39 3.60 0.00 -1.26 -4.97 120.51 116.60 2klb n ALA 38 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2klb n ALA 38 Cb 0.55 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2klb n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2klb n ALA 39 N -0.06 -2.50 -1.74 0.00 0.00 -1.06 -4.80 120.51 110.36 2klb n ALA 39 Ca 0.04 0.25 -0.36 0.00 0.00 0.00 0.00 53.44 53.36 2klb n ALA 39 Cb 0.23 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 2klb n ALA 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2klb s VAL 40 N -0.27 3.13 0.79 0.00 -7.23 -1.26 -4.96 120.40 110.60 2klb s VAL 40 Ca 0.00 0.07 -0.12 0.00 -1.81 0.00 0.00 61.98 60.12 2klb s VAL 40 Cb 0.00 -3.36 0.07 0.00 0.56 0.00 0.00 36.38 33.65 2klb s VAL 40 CO 0.00 -0.35 1.13 -0.62 -0.31 0.00 0.00 175.10 174.96 2klb s ASP 41 N 10.68 4.06 0.30 4.85 2.15 -1.26 -4.77 116.67 132.68 2klb s ASP 41 Ca 0.86 2.06 -0.02 0.00 0.43 0.00 0.00 52.55 55.89 2klb s ASP 41 Cb -0.15 -2.55 0.46 0.00 -0.30 0.00 0.00 42.92 40.37 2klb s ASP 41 CO 0.23 -2.34 1.96 -0.07 -0.17 0.00 0.00 175.17 174.78 2klb h LEU 42 N -1.02 0.91 -1.30 -1.34 -0.00 -1.98 0.83 115.31 111.40 2klb h LEU 42 Ca -0.45 -0.04 -0.07 0.00 -0.00 0.00 0.00 57.88 57.32 2klb h LEU 42 Cb 1.26 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 41.68 2klb h LEU 42 CO 0.48 0.68 -0.34 1.56 -0.00 0.00 0.00 178.44 180.82 2klb h GLN 43 N 1.06 0.01 0.02 1.13 1.08 -2.00 -0.91 115.11 115.51 2klb h GLN 43 Ca 0.28 -0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.27 2klb h GLN 43 Cb -0.09 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 2klb h GLN 43 CO -0.06 0.35 -0.95 0.93 -0.95 0.00 0.00 178.83 178.15 2klb h GLU 44 N 0.01 0.19 -0.16 1.46 4.39 -1.58 -3.13 114.58 115.75 2klb h GLU 44 Ca -0.00 -0.24 -0.06 0.00 0.34 0.00 0.00 59.36 59.41 2klb h GLU 44 Cb 0.61 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 2klb h GLU 44 CO 0.04 1.01 -0.15 -0.07 -1.16 0.00 0.00 179.01 178.68 2klb h LEU 45 N 0.09 0.25 -0.28 1.33 3.38 -0.29 -0.93 115.31 118.86 2klb h LEU 45 Ca -0.06 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.88 2klb h LEU 45 Cb 1.62 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.28 2klb h LEU 45 CO 0.15 0.42 0.14 -0.09 0.09 0.00 0.00 178.44 179.15 2klb h ARG 46 N 0.25 0.29 -1.00 1.13 2.43 -1.15 -2.03 114.38 114.30 2klb h ARG 46 Ca 0.05 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 2klb h ARG 46 Cb 0.41 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.84 2klb h ARG 46 CO 0.03 0.19 0.65 0.93 -1.51 0.00 0.00 179.97 180.26 2klb h GLU 47 N 0.30 1.19 -0.64 0.20 4.39 -1.36 -1.03 114.58 117.63 2klb h GLU 47 Ca 0.12 -0.07 0.10 0.00 0.34 0.00 0.00 59.36 59.84 2klb h GLU 47 Cb 0.03 -0.27 -0.04 0.00 -0.10 0.00 0.00 28.75 28.37 2klb h GLU 47 CO -0.08 0.79 0.43 1.25 -1.16 0.00 0.00 179.01 180.24 2klb h LEU 48 N 1.23 0.44 0.16 1.33 5.85 -0.62 0.33 115.31 124.02 2klb h LEU 48 Ca 0.41 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.13 2klb h LEU 48 Cb 0.06 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2klb h LEU 48 CO -0.14 0.26 -0.08 0.58 -0.34 0.00 0.00 178.44 178.73 2klb h VAL 49 N 0.49 0.96 0.00 1.05 2.07 -0.51 -0.41 116.25 119.89 2klb h VAL 49 Ca 0.30 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 2klb h VAL 49 Cb 0.51 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2klb h VAL 49 CO -0.09 0.20 -0.18 1.23 0.02 0.00 0.00 177.57 178.75 2klb h GLY 50 N -0.67 0.00 -2.38 2.17 0.00 -1.05 -2.42 103.07 98.71 2klb h GLY 50 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2klb h GLY 50 CO 0.04 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.12 2klb n ARG 51 N -3.62 2.54 0.00 4.80 3.00 0.11 -4.63 116.66 118.86 2klb n ARG 51 Ca -0.01 -2.35 0.01 0.00 -0.01 0.00 0.00 57.85 55.48 2klb n ARG 51 Cb 0.31 -1.53 0.05 0.00 0.00 0.00 0.00 32.46 31.30 2klb n ARG 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2klb h THR 53 N 0.00 1.41 -2.10 0.00 1.35 -1.84 -3.36 112.91 108.38 2klb h THR 53 Ca 0.00 -2.90 -0.04 0.00 -0.55 0.00 0.00 66.41 62.92 2klb h THR 53 Cb 0.00 2.96 -0.22 0.00 -1.73 0.00 0.00 68.15 69.16 2klb h THR 53 CO 0.00 0.86 0.06 -0.83 -0.25 0.00 0.00 175.52 175.35 2klb s GLY 54 N -4.62 -0.53 0.18 5.82 0.00 -0.97 -1.90 107.32 105.30 2klb s GLY 54 Ca -0.06 2.00 -0.17 0.00 0.00 0.00 0.00 44.72 46.49 2klb s GLY 54 CO 0.91 1.80 0.49 0.48 0.00 0.00 0.00 173.10 176.77 2klb s LEU 55 N 0.64 0.19 -0.09 0.66 2.34 -0.17 -1.13 118.68 121.12 2klb s LEU 55 Ca -0.02 -0.50 0.03 0.00 0.06 0.00 0.00 54.13 53.71 2klb s LEU 55 Cb -0.05 2.02 0.00 0.00 -0.56 0.00 0.00 46.19 47.61 2klb s LEU 55 CO -0.04 -1.01 -0.21 -0.69 -1.06 0.00 0.00 176.35 173.34 2klb s VAL 56 N -3.87 1.81 -0.06 1.48 1.01 0.35 -0.42 120.40 120.69 2klb s VAL 56 Ca 0.09 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.25 2klb s VAL 56 Cb -0.00 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 2klb s VAL 56 CO -0.04 0.50 -0.21 -0.63 0.00 0.00 0.00 175.10 174.73 2klb s ILE 57 N 0.47 2.44 -0.22 2.22 1.09 -0.50 -1.24 121.20 125.46 2klb s ILE 57 Ca -0.17 -0.93 -0.08 0.00 -1.10 0.00 0.00 60.65 58.37 2klb s ILE 57 Cb -0.17 -1.92 -0.04 0.00 -1.06 0.00 0.00 42.46 39.27 2klb s ILE 57 CO 0.07 0.57 0.08 -0.83 -0.10 0.00 0.00 174.94 174.73 2klb s GLY 58 N -0.28 1.87 -0.51 6.18 0.00 -1.24 -4.24 107.32 109.09 2klb s GLY 58 Ca 0.00 -0.91 -0.27 0.00 0.00 0.00 0.00 44.72 43.54 2klb s GLY 58 CO 0.03 0.28 2.42 -0.13 0.00 0.00 0.00 173.10 175.70 2klb n MET 59 N 4.17 1.02 -3.40 2.90 1.56 -1.15 -4.93 117.12 117.29 2klb n MET 59 Ca -0.16 0.08 -0.38 0.00 -0.27 0.00 0.00 57.70 56.97 2klb n MET 59 Cb 0.52 -3.12 -0.06 0.00 2.15 0.00 0.00 33.22 32.71 2klb n MET 59 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 2klb s SER 60 N 11.08 6.69 1.09 6.12 0.01 -1.26 -0.68 113.70 136.75 2klb s SER 60 Ca 1.04 0.82 -0.13 0.00 1.31 0.00 0.00 55.95 58.99 2klb s SER 60 Cb -0.37 -2.26 0.24 0.00 0.21 0.00 0.00 66.02 63.84 2klb s SER 60 CO 0.32 0.11 1.06 -2.16 0.41 0.00 0.00 173.24 172.97 2klb s PRO 61 N 0.10 -0.31 0.32 12.44 0.04 -1.26 -4.28 135.00 142.05 2klb s PRO 61 Ca 0.24 0.73 0.08 0.00 0.04 0.00 0.00 61.00 62.09 2klb s PRO 61 Cb -0.15 -1.63 0.91 0.00 0.04 0.00 0.00 34.50 33.66 2klb s PRO 61 CO 0.10 -3.28 1.63 0.00 0.04 0.00 0.00 177.00 175.49 2klb h ALA 62 N -2.30 1.58 0.42 8.56 0.00 -0.75 0.37 119.26 127.14 2klb h ALA 62 Ca -0.58 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2klb h ALA 62 Cb 1.33 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 2klb h ALA 62 CO 0.53 -0.57 -0.37 0.00 0.00 0.00 0.00 179.25 178.84 2klb h ALA 63 N 1.85 -1.08 0.00 0.00 0.00 -1.90 -1.74 119.26 116.39 2klb h ALA 63 Ca 0.65 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.38 2klb h ALA 63 Cb 1.44 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 19.79 2klb h ALA 63 CO -0.69 -1.09 -0.12 0.77 0.00 0.00 0.00 179.25 178.13 2klb h SER 64 N -0.77 0.00 0.65 0.00 0.02 -1.65 -2.74 113.55 109.05 2klb h SER 64 Ca -0.05 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 2klb h SER 64 Cb 0.65 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 2klb h SER 64 CO -0.01 0.12 -0.14 0.00 -1.14 0.00 0.00 176.83 175.66 2klb h ALA 65 N 1.88 1.12 -0.66 3.77 0.00 0.00 -2.73 119.26 122.65 2klb h ALA 65 Ca -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2klb h ALA 65 Cb 0.63 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2klb h ALA 65 CO 0.02 0.17 0.31 0.00 0.00 0.00 0.00 179.25 179.75 2klb h ALA 66 N 1.86 0.85 -0.52 0.00 0.00 -1.00 0.32 119.26 120.77 2klb h ALA 66 Ca -0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2klb h ALA 66 Cb 0.50 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2klb h ALA 66 CO 0.02 0.42 0.25 0.77 0.00 0.00 0.00 179.25 180.71 2klb h SER 67 N 0.91 0.67 -0.34 0.00 0.02 -1.64 -1.10 113.55 112.06 2klb h SER 67 Ca 0.23 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 2klb h SER 67 Cb 0.12 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2klb h SER 67 CO -0.03 0.60 0.10 0.40 -1.14 0.00 0.00 176.83 176.76 2klb h ILE 68 N 0.69 1.22 -0.35 3.27 2.04 -1.44 -2.38 117.51 120.55 2klb h ILE 68 Ca 0.18 -0.71 0.06 0.00 1.00 0.00 0.00 64.86 65.39 2klb h ILE 68 Cb 0.11 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 2klb h ILE 68 CO -0.02 0.24 0.00 -0.61 0.00 0.00 0.00 178.15 177.76 2klb h GLN 69 N 0.40 0.10 0.00 2.37 4.15 -0.14 0.30 115.11 122.29 2klb h GLN 69 Ca 0.11 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.48 2klb h GLN 69 Cb 0.28 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 2klb h GLN 69 CO -0.00 0.07 -0.19 0.78 -1.93 0.00 0.00 178.83 177.55 2klb h GLY 70 N 0.10 0.00 1.50 2.39 0.00 -1.18 -2.71 103.07 103.17 2klb h GLY 70 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 2klb h GLY 70 CO -0.29 0.00 -0.61 0.00 0.00 0.00 0.00 176.54 175.65 2klb h ALA 71 N 1.81 0.73 -0.98 3.60 0.00 -0.59 -3.36 119.26 120.46 2klb h ALA 71 Ca -0.00 -0.16 0.20 0.00 0.00 0.00 0.00 54.91 54.95 2klb h ALA 71 Cb 0.41 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.13 2klb h ALA 71 CO 0.02 0.19 0.62 -0.07 0.00 0.00 0.00 179.25 180.01 2klb h LEU 72 N 0.00 0.64 -1.84 0.00 3.38 -0.14 0.25 115.31 117.60 2klb h LEU 72 Ca -0.02 0.08 0.16 0.00 0.09 0.00 0.00 57.88 58.19 2klb h LEU 72 Cb 1.12 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 2klb h LEU 72 CO 0.01 0.23 0.45 0.28 0.09 0.00 0.00 178.44 179.50 2klb h SER 73 N 0.62 0.15 0.08 -0.43 0.02 -1.74 0.11 113.55 112.36 2klb h SER 73 Ca 0.55 0.01 -0.37 0.00 -0.84 0.00 0.00 61.79 61.13 2klb h SER 73 Cb 1.04 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.52 2klb h SER 73 CO -0.31 0.08 -2.19 0.41 -1.14 0.00 0.00 176.83 173.68 2klb n THR 74 N -4.41 1.67 0.22 -2.27 -1.04 0.61 -4.50 114.28 104.56 2klb n THR 74 Ca 0.12 -0.63 -0.15 0.00 -2.04 0.00 0.00 64.05 61.36 2klb n THR 74 Cb 0.61 -1.60 -0.08 0.00 -1.82 0.00 0.00 70.33 67.43 2klb n THR 74 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2klb h ILE 75 N 0.04 0.62 0.00 12.58 2.04 -0.19 -1.53 117.51 131.08 2klb h ILE 75 Ca -0.48 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.20 2klb h ILE 75 Cb 1.98 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 2klb h ILE 75 CO 0.02 0.03 0.11 -0.07 0.00 0.00 0.00 178.15 178.25 2klb h LEU 76 N -0.63 0.00 0.00 1.44 3.38 -1.24 0.70 115.31 118.96 2klb h LEU 76 Ca -0.05 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.63 2klb h LEU 76 Cb 0.46 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 2klb h LEU 76 CO 0.09 0.00 -2.30 0.61 0.09 0.00 0.00 178.44 176.93 2klb n GLY 77 N -1.21 -0.99 0.11 0.83 0.00 -1.12 -4.55 105.19 98.26 2klb n GLY 77 Ca -0.02 -0.38 0.01 0.00 0.00 0.00 0.00 46.02 45.63 2klb n GLY 77 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2klb h SER 78 N 0.00 0.00 -4.28 1.61 0.02 0.11 -3.47 113.55 107.55 2klb h SER 78 Ca -0.43 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.00 2klb h SER 78 Cb 1.97 0.00 0.15 0.00 0.14 0.00 0.00 62.40 64.66 2klb h SER 78 CO 0.02 0.56 0.30 0.68 -1.14 0.00 0.00 176.83 177.26 2klb s VAL 79 N -2.93 2.89 0.08 2.27 -7.23 -0.12 -4.76 120.40 110.59 2klb s VAL 79 Ca 0.01 0.31 -0.12 0.00 -1.81 0.00 0.00 61.98 60.37 2klb s VAL 79 Cb 0.08 -2.68 -0.06 0.00 0.56 0.00 0.00 36.38 34.28 2klb s VAL 79 CO 0.78 -0.35 0.44 0.21 -0.31 0.00 0.00 175.10 175.87 2klb s ASN 80 N -3.00 6.73 0.29 4.85 3.84 -1.26 -5.00 114.94 121.40 2klb s ASN 80 Ca 0.64 0.91 0.02 0.00 0.21 0.00 0.00 52.86 54.65 2klb s ASN 80 Cb -0.20 -2.23 0.73 0.00 -0.55 0.00 0.00 41.25 39.00 2klb s ASN 80 CO 0.54 0.19 1.64 -0.08 -2.79 0.00 0.00 177.10 176.60 2klb h GLU 81 N 3.92 0.18 -0.60 0.43 4.81 -1.95 -2.92 114.58 118.45 2klb h GLU 81 Ca -0.50 -0.01 -0.32 0.00 -0.13 0.00 0.00 59.36 58.40 2klb h GLU 81 Cb 1.20 -0.04 -0.41 0.00 0.63 0.00 0.00 28.75 30.13 2klb h GLU 81 CO 0.65 0.12 -1.06 0.36 -0.73 0.00 0.00 179.01 178.35 2klb n LYS 82 N -5.25 2.07 -0.60 1.92 2.85 -1.26 -3.79 118.16 114.10 2klb n LYS 82 Ca 0.22 -3.63 -0.29 0.00 -1.05 0.00 0.00 58.31 53.56 2klb n LYS 82 Cb 0.70 -1.71 0.24 0.00 -0.65 0.00 0.00 35.03 33.61 2klb n LYS 82 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 2klb s GLN 83 N -3.68 -0.59 -0.32 -1.58 -2.07 -1.10 -3.43 119.66 106.89 2klb s GLN 83 Ca 0.32 0.93 -0.15 0.00 -1.82 0.00 0.00 55.36 54.64 2klb s GLN 83 Cb 0.36 -1.58 -0.02 0.00 -1.09 0.00 0.00 33.01 30.67 2klb s GLN 83 CO -0.02 -3.53 0.39 0.00 -1.32 0.00 0.00 175.29 170.81 2klb s ALA 84 N -2.51 3.52 -0.22 2.60 0.00 -0.80 -0.30 121.76 124.05 2klb s ALA 84 Ca 0.68 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 51.57 2klb s ALA 84 Cb -0.24 -2.81 0.01 0.00 0.00 0.00 0.00 23.12 20.07 2klb s ALA 84 CO 0.63 -0.95 -0.08 0.14 0.00 0.00 0.00 175.76 175.50 2klb s VAL 85 N 2.10 2.99 0.06 0.00 -7.23 -0.39 -1.00 120.40 116.92 2klb s VAL 85 Ca 0.14 -0.70 -0.20 0.00 -1.81 0.00 0.00 61.98 59.41 2klb s VAL 85 Cb -0.16 -2.37 -0.07 0.00 0.56 0.00 0.00 36.38 34.34 2klb s VAL 85 CO 0.11 0.40 0.57 -0.83 -0.31 0.00 0.00 175.10 175.05 2klb s GLY 86 N 1.41 2.67 -0.02 2.32 0.00 0.44 -2.77 107.32 111.36 2klb s GLY 86 Ca 0.04 0.04 0.06 0.00 0.00 0.00 0.00 44.72 44.86 2klb s GLY 86 CO -0.06 0.51 -0.19 -0.42 0.00 0.00 0.00 173.10 172.94 2klb s ILE 87 N -0.98 1.51 0.02 0.90 -1.09 -1.26 -1.41 121.20 118.89 2klb s ILE 87 Ca 0.29 -0.80 -0.00 0.00 -2.23 0.00 0.00 60.65 57.91 2klb s ILE 87 Cb -0.19 -1.26 -0.02 0.00 -1.58 0.00 0.00 42.46 39.40 2klb s ILE 87 CO 0.19 0.43 -0.03 0.72 -1.23 0.00 0.00 174.94 175.01 2klb s PHE 88 N -0.34 0.29 -0.93 3.97 -0.71 -1.26 -4.92 117.98 114.07 2klb s PHE 88 Ca 0.05 -0.57 -0.24 0.00 -1.04 0.00 0.00 56.93 55.12 2klb s PHE 88 Cb -0.08 -0.21 0.01 0.00 -1.21 0.00 0.00 43.02 41.53 2klb s PHE 88 CO -0.00 -0.20 1.61 -1.83 -1.34 0.00 0.00 175.22 173.46 2klb s GLU 89 N -1.67 3.18 -0.20 1.99 1.03 -1.26 -4.65 118.70 117.12 2klb s GLU 89 Ca -0.14 -0.68 -0.14 0.00 0.03 0.00 0.00 54.97 54.04 2klb s GLU 89 Cb -0.09 -5.10 0.06 0.00 -0.80 0.00 0.00 34.13 28.21 2klb s GLU 89 CO -0.02 -2.59 0.51 0.99 -1.33 0.00 0.00 175.26 172.83 2klb s THR 90 N 6.84 -0.01 0.00 1.83 2.01 -1.26 -3.93 115.64 121.12 2klb s THR 90 Ca 0.53 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.57 2klb s THR 90 Cb -0.04 -0.74 0.00 0.00 0.01 0.00 0.00 72.50 71.74 2klb s THR 90 CO -0.03 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.52 2klb n GLY 91 N 3.64 1.01 7.00 4.40 0.00 -0.68 -2.93 105.19 117.63 2klb n GLY 91 Ca -0.18 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.40 2klb n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2klb n GLY 92 N 0.00 2.05 7.00 -0.02 0.00 0.15 -2.02 105.19 112.35 2klb n GLY 92 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2klb n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2klb n GLY 93 N 0.00 1.17 3.49 -0.02 0.00 -0.46 -4.03 105.19 105.34 2klb n GLY 93 Ca 0.00 0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 2klb n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2klb s ASP 94 N -4.00 6.22 0.17 1.61 1.01 -1.26 -5.01 116.67 115.41 2klb s ASP 94 Ca 0.00 -0.64 0.08 0.00 0.71 0.00 0.00 52.55 52.70 2klb s ASP 94 Cb 0.00 -2.25 -0.04 0.00 1.01 0.00 0.00 42.92 41.64 2klb s ASP 94 CO 0.00 -0.65 -0.18 -0.62 0.21 0.00 0.00 175.17 173.94 2klb s ASP 95 N 1.93 2.67 -0.05 0.27 2.15 -1.26 -0.03 116.67 122.34 2klb s ASP 95 Ca 0.14 -0.89 -0.07 0.00 0.43 0.00 0.00 52.55 52.17 2klb s ASP 95 Cb -0.17 -0.16 -0.02 0.00 -0.30 0.00 0.00 42.92 42.27 2klb s ASP 95 CO 0.14 -0.05 -0.14 -0.62 -0.17 0.00 0.00 175.17 174.33 2klb n GLU 96 N 0.19 0.21 -1.01 4.34 1.02 -1.26 -4.90 120.64 119.23 2klb n GLU 96 Ca -0.12 0.08 -0.11 0.00 -0.02 0.00 0.00 57.16 56.99 2klb n GLU 96 Cb 0.58 -0.80 0.23 0.00 -0.02 0.00 0.00 31.44 31.43 2klb n GLU 96 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2klb n PRO 97 N -3.49 2.65 -0.10 3.49 -0.04 -1.26 -4.73 135.00 131.53 2klb n PRO 97 Ca -0.06 -3.07 -0.06 0.00 -0.04 0.00 0.00 63.50 60.28 2klb n PRO 97 Cb 0.21 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 2klb n PRO 97 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 2klb h ILE 98 N 1.57 0.66 0.15 0.52 2.10 -2.00 -2.56 117.51 117.95 2klb h ILE 98 Ca 0.38 -0.00 -0.01 0.00 1.08 0.00 0.00 64.86 66.31 2klb h ILE 98 Cb 2.31 0.66 0.00 0.00 -1.09 0.00 0.00 36.82 38.70 2klb h ILE 98 CO 0.76 0.00 -0.07 0.44 -1.08 0.00 0.00 178.15 178.20 2klb h ASP 99 N 0.01 -0.17 -0.83 2.19 3.32 -2.00 -0.63 116.42 118.31 2klb h ASP 99 Ca 0.16 -0.07 0.19 0.00 0.02 0.00 0.00 57.03 57.33 2klb h ASP 99 Cb 0.25 0.04 -0.11 0.00 0.22 0.00 0.00 39.33 39.73 2klb h ASP 99 CO -0.35 -0.04 0.31 -0.65 -1.72 0.00 0.00 179.24 176.80 2klb h PRO 100 N -0.29 0.36 -0.10 3.56 0.11 -1.90 -0.62 132.00 133.11 2klb h PRO 100 Ca -0.02 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 2klb h PRO 100 Cb 0.23 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.25 2klb h PRO 100 CO 0.03 0.24 0.01 -0.07 -0.21 0.00 0.00 178.00 178.01 2klb h LEU 101 N 0.37 0.17 -0.48 2.35 4.07 -1.16 -0.48 115.31 120.16 2klb h LEU 101 Ca 0.49 -0.27 0.08 0.00 0.08 0.00 0.00 57.88 58.26 2klb h LEU 101 Cb 0.87 -0.05 -0.07 0.00 1.08 0.00 0.00 40.66 42.49 2klb h LEU 101 CO -0.50 0.40 0.07 -0.07 -1.08 0.00 0.00 178.44 177.26 2klb h LEU 102 N -0.07 -0.05 -0.47 1.67 3.38 -0.47 -0.86 115.31 118.45 2klb h LEU 102 Ca 0.03 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 2klb h LEU 102 Cb 0.31 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2klb h LEU 102 CO 0.00 0.00 0.15 -1.28 0.09 0.00 0.00 178.44 177.40 2klb h SER 103 N 0.20 0.68 0.50 -0.43 0.87 -1.11 -2.16 113.55 112.10 2klb h SER 103 Ca 0.24 -0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 2klb h SER 103 Cb 0.33 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 2klb h SER 103 CO -0.33 0.70 -0.38 0.50 -0.53 0.00 0.00 176.83 176.79 2klb h LYS 104 N 0.62 -0.81 -0.17 2.24 1.63 -0.36 -1.04 116.57 118.67 2klb h LYS 104 Ca 0.15 0.06 0.04 0.00 -0.85 0.00 0.00 60.65 60.04 2klb h LYS 104 Cb 0.27 0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 2klb h LYS 104 CO -0.00 -0.54 0.12 0.74 -3.45 0.00 0.00 179.45 176.31 2klb h PHE 105 N -0.84 0.07 -0.01 1.91 0.04 -1.25 -1.61 116.94 115.23 2klb h PHE 105 Ca -0.07 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.71 2klb h PHE 105 Cb 0.70 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.83 2klb h PHE 105 CO -0.13 0.04 0.01 -0.09 -0.60 0.00 0.00 178.31 177.54 2klb h ARG 106 N 0.07 0.02 0.00 1.51 2.43 -1.06 0.34 114.38 117.68 2klb h ARG 106 Ca 0.08 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2klb h ARG 106 Cb 0.23 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2klb h ARG 106 CO -0.01 0.10 0.00 0.09 -1.51 0.00 0.00 179.97 178.64 2klb n ASN 107 N -5.04 0.00 -0.11 -3.80 3.02 -0.42 -2.14 115.26 106.78 2klb n ASN 107 Ca -0.07 0.31 -0.19 0.00 -0.03 0.00 0.00 54.58 54.60 2klb n ASN 107 Cb 0.07 -0.40 -0.12 0.00 -0.61 0.00 0.00 39.78 38.71 2klb n ASN 107 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2klb n LEU 108 N -1.40 2.89 -0.73 3.41 4.32 -1.07 -5.07 117.00 119.35 2klb n LEU 108 Ca 0.05 -0.07 0.00 0.00 -0.02 0.00 0.00 56.01 55.97 2klb n LEU 108 Cb 0.14 -0.94 0.00 0.00 -1.62 0.00 0.00 43.42 41.00 2klb n LEU 108 CO 0.12 0.91 0.00 0.61 -1.22 0.00 0.00 177.39 177.81 2klb n GLY 109 N 2.19 0.58 3.81 -0.72 0.00 0.09 -4.80 105.19 106.33 2klb n GLY 109 Ca -0.44 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 2klb n GLY 109 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2klb s LEU 110 N -1.47 3.79 -0.96 0.99 1.02 -1.22 -4.50 118.68 116.33 2klb s LEU 110 Ca 0.00 1.82 -0.24 0.00 0.02 0.00 0.00 54.13 55.73 2klb s LEU 110 Cb 0.00 -4.55 -0.07 0.00 0.02 0.00 0.00 46.19 41.59 2klb s LEU 110 CO 0.00 -0.72 2.00 -0.89 0.02 0.00 0.00 176.35 176.76 2klb s THR 111 N -2.16 3.41 -0.15 5.49 2.01 0.59 -4.93 115.64 119.90 2klb s THR 111 Ca 0.65 -0.44 -0.09 0.00 0.31 0.00 0.00 61.69 62.12 2klb s THR 111 Cb -0.14 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 2klb s THR 111 CO 0.22 -0.82 0.16 -0.89 -0.69 0.00 0.00 174.62 172.59 2klb s THR 112 N 11.09 5.44 0.01 -0.82 2.01 -1.26 -1.26 115.64 130.85 2klb s THR 112 Ca 0.73 0.25 -0.17 0.00 0.31 0.00 0.00 61.69 62.80 2klb s THR 112 Cb -0.06 -3.45 -0.09 0.00 0.01 0.00 0.00 72.50 68.91 2klb s THR 112 CO 0.04 0.54 1.01 0.00 -0.69 0.00 0.00 174.62 175.52 2klb h ALA 113 N 5.69 -0.92 -1.16 7.40 0.00 -1.88 -3.46 119.26 124.93 2klb h ALA 113 Ca -0.49 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 2klb h ALA 113 Cb 1.20 0.23 -0.23 0.00 0.00 0.00 0.00 17.79 18.99 2klb h ALA 113 CO 0.66 -0.88 -0.42 0.12 0.00 0.00 0.00 179.25 178.73 2klb s PHE 114 N -3.92 -1.67 -0.97 0.00 5.36 -1.26 -5.04 117.98 110.48 2klb s PHE 114 Ca -0.09 0.89 0.09 0.00 -0.96 0.00 0.00 56.93 56.86 2klb s PHE 114 Cb 0.01 0.21 0.41 0.00 -0.34 0.00 0.00 43.02 43.31 2klb s PHE 114 CO 0.27 -1.07 1.20 -0.35 -1.46 0.00 0.00 175.22 173.80 2klb n PRO 115 N 5.38 2.77 -0.20 10.12 -0.04 -1.26 -4.02 135.00 147.74 2klb n PRO 115 Ca 0.04 -1.61 0.06 0.00 -0.04 0.00 0.00 63.50 61.95 2klb n PRO 115 Cb 0.53 -1.75 0.15 0.00 -0.04 0.00 0.00 33.50 32.39 2klb n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2klb n ALA 116 N 0.42 2.35 -2.42 0.55 0.00 -1.26 -5.01 120.51 115.13 2klb n ALA 116 Ca 0.14 -1.50 -0.38 0.00 0.00 0.00 0.00 53.44 51.70 2klb n ALA 116 Cb 0.64 -0.43 -0.06 0.00 0.00 0.00 0.00 19.45 19.61 2klb n ALA 116 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2klb s ILE 117 N -1.57 4.92 -0.08 0.00 1.10 -1.26 -5.09 121.20 119.23 2klb s ILE 117 Ca 0.24 1.00 0.02 0.00 -0.51 0.00 0.00 60.65 61.40 2klb s ILE 117 Cb 0.16 -3.79 0.02 0.00 0.15 0.00 0.00 42.46 39.00 2klb s ILE 117 CO 0.11 0.56 -0.12 0.00 -2.11 0.00 0.00 174.94 173.37 2klb s ARG 118 N -1.00 1.74 -0.07 3.50 1.70 -1.26 -5.13 118.95 118.43 2klb s ARG 118 Ca 0.26 -0.40 -0.02 0.00 -0.47 0.00 0.00 55.73 55.10 2klb s ARG 118 Cb -0.18 -1.50 -0.03 0.00 -0.57 0.00 0.00 34.95 32.66 2klb s ARG 118 CO 0.15 -0.04 0.02 0.42 -1.08 0.00 0.00 175.30 174.77 2klb s ILE 119 N 0.90 4.39 0.04 4.99 1.09 -1.26 -5.03 121.20 126.32 2klb s ILE 119 Ca -0.10 -0.28 -0.16 0.00 -1.10 0.00 0.00 60.65 59.01 2klb s ILE 119 Cb -0.15 -2.88 -0.32 0.00 -1.06 0.00 0.00 42.46 38.06 2klb s ILE 119 CO 0.01 0.56 1.06 0.07 -0.10 0.00 0.00 174.94 176.53 2klb h LYS 120 N 4.95 0.58 0.00 2.79 2.10 -1.94 -1.23 116.57 123.83 2klb h LYS 120 Ca -0.51 -0.85 0.00 0.00 -2.00 0.00 0.00 60.65 57.29 2klb h LYS 120 Cb 1.19 0.30 0.00 0.00 -0.90 0.00 0.00 32.23 32.82 2klb h LYS 120 CO 0.55 1.40 0.00 0.94 -2.00 0.00 0.00 179.45 180.34 2klb n GLN 121 N -3.79 0.00 -4.30 0.07 7.27 -0.86 -2.66 117.38 113.11 2klb n GLN 121 Ca -0.15 0.00 -0.27 0.00 0.07 0.00 0.00 57.00 56.65 2klb n GLN 121 Cb 1.02 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 33.57 2klb n GLN 121 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2klb s THR 122 N -0.90 3.07 0.62 1.69 -4.23 -1.26 -1.69 115.64 112.94 2klb s THR 122 Ca 0.00 -1.64 -0.11 0.00 -1.18 0.00 0.00 61.69 58.76 2klb s THR 122 Cb 0.00 -2.50 0.15 0.00 1.34 0.00 0.00 72.50 71.49 2klb s THR 122 CO 0.00 -0.07 0.70 -0.81 -0.54 0.00 0.00 174.62 173.90 2klb n PRO 123 N 0.22 -1.42 -4.00 3.99 -0.04 -1.25 -4.85 135.00 127.64 2klb n PRO 123 Ca -0.12 -1.09 -0.26 0.00 -0.04 0.00 0.00 63.50 61.99 2klb n PRO 123 Cb 0.55 -0.85 -0.03 0.00 -0.04 0.00 0.00 33.50 33.13 2klb n PRO 123 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2klb s THR 124 N -2.41 1.87 0.19 0.52 -4.23 -1.26 -5.00 115.64 105.32 2klb s THR 124 Ca 0.42 -1.58 0.21 0.00 -1.18 0.00 0.00 61.69 59.56 2klb s THR 124 Cb -0.02 -2.45 0.19 0.00 1.34 0.00 0.00 72.50 71.56 2klb s THR 124 CO 0.30 0.00 1.81 1.05 -0.54 0.00 0.00 174.62 177.25 2klb h GLU 125 N 1.00 0.00 0.00 3.99 4.11 -2.02 -2.51 114.58 119.16 2klb h GLU 125 Ca -0.39 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 58.95 2klb h GLU 125 Cb 1.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2klb h GLU 125 CO 0.62 0.29 -0.43 -0.91 0.07 0.00 0.00 179.01 178.65 2klb h ASN 126 N 0.00 0.00 -0.81 3.06 4.21 -2.02 -3.12 115.58 116.91 2klb h ASN 126 Ca -0.00 0.00 0.15 0.00 1.21 0.00 0.00 56.30 57.65 2klb h ASN 126 Cb 0.76 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.91 2klb h ASN 126 CO 0.04 0.43 0.53 0.74 -1.29 0.00 0.00 177.43 177.88 2klb h THR 127 N 0.00 0.81 -0.15 2.81 2.02 -1.84 0.70 112.91 117.27 2klb h THR 127 Ca -0.00 -0.18 0.04 0.00 0.77 0.00 0.00 66.41 67.04 2klb h THR 127 Cb 0.85 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 2klb h THR 127 CO 0.06 0.09 0.13 1.88 0.37 0.00 0.00 175.52 178.05 2klb h TYR 128 N 0.52 0.00 0.18 3.16 0.05 -1.66 0.19 116.97 119.41 2klb h TYR 128 Ca 0.40 0.00 -0.35 0.00 0.05 0.00 0.00 58.73 58.83 2klb h TYR 128 Cb 0.80 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.55 2klb h TYR 128 CO -0.00 0.00 -1.76 0.87 -1.05 0.00 0.00 178.16 176.22 2klb h LYS 129 N 0.00 0.38 0.53 4.88 6.56 -1.07 -3.29 116.57 124.56 2klb h LYS 129 Ca 0.07 -0.65 -0.03 0.00 -1.06 0.00 0.00 60.65 58.98 2klb h LYS 129 Cb 0.33 0.24 0.01 0.00 -0.57 0.00 0.00 32.23 32.24 2klb h LYS 129 CO -0.00 1.30 -0.25 1.25 -2.06 0.00 0.00 179.45 179.69 2klb h LEU 130 N 0.10 -0.60 -1.20 2.94 7.12 -0.64 -1.77 115.31 121.26 2klb h LEU 130 Ca -0.34 -0.04 0.12 0.00 0.13 0.00 0.00 57.88 57.74 2klb h LEU 130 Cb 2.09 0.16 -0.07 0.00 -0.53 0.00 0.00 40.66 42.31 2klb h LEU 130 CO 0.17 -0.32 0.58 0.00 -0.13 0.00 0.00 178.44 178.75 2klb h GLU 132 N 0.83 0.38 0.27 0.00 4.22 -1.61 0.88 114.58 119.54 2klb h GLU 132 Ca 0.44 -0.14 -0.01 0.00 0.08 0.00 0.00 59.36 59.73 2klb h GLU 132 Cb 0.53 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2klb h GLU 132 CO -0.20 0.61 -0.13 1.49 -2.18 0.00 0.00 179.01 178.61 2klb h GLU 133 N 0.10 -0.34 -0.63 1.92 4.81 -0.50 -2.11 114.58 117.82 2klb h GLU 133 Ca 0.05 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2klb h GLU 133 Cb 0.47 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 2klb h GLU 133 CO 0.02 -0.15 0.35 0.00 -0.73 0.00 0.00 179.01 178.49 2klb h ALA 134 N 0.24 0.81 -0.95 2.92 0.00 -0.89 -2.18 119.26 119.22 2klb h ALA 134 Ca -0.04 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.87 2klb h ALA 134 Cb 0.35 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 2klb h ALA 134 CO 0.06 0.33 0.61 0.78 0.00 0.00 0.00 179.25 181.02 2klb h GLY 135 N 0.86 1.43 0.91 0.00 0.00 -0.76 -1.41 103.07 104.09 2klb h GLY 135 Ca 0.22 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 2klb h GLY 135 CO -0.04 0.22 0.01 -0.84 0.00 0.00 0.00 176.54 175.89 2klb h THR 136 N 0.97 1.25 -0.03 4.70 2.02 -0.98 0.19 112.91 121.03 2klb h THR 136 Ca 0.44 -0.93 0.02 0.00 0.77 0.00 0.00 66.41 66.70 2klb h THR 136 Cb 0.39 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 2klb h THR 136 CO -0.20 0.31 -0.06 -0.78 0.37 0.00 0.00 175.52 175.15 2klb h ASP 137 N 0.40 -0.18 -0.25 4.18 3.58 -0.71 -0.52 116.42 122.91 2klb h ASP 137 Ca 0.10 0.03 -0.11 0.00 0.42 0.00 0.00 57.03 57.47 2klb h ASP 137 Cb 0.43 0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.56 2klb h ASP 137 CO 0.01 -0.09 -0.29 -0.07 -2.88 0.00 0.00 179.24 175.93 2klb h LEU 138 N -0.10 0.68 -0.45 2.28 -0.00 -1.34 -3.18 115.31 113.19 2klb h LEU 138 Ca 0.03 -0.49 0.08 0.00 -0.00 0.00 0.00 57.88 57.50 2klb h LEU 138 Cb 0.14 -0.19 -0.06 0.00 -0.00 0.00 0.00 40.66 40.55 2klb h LEU 138 CO -0.08 1.03 0.08 1.23 -0.00 0.00 0.00 178.44 180.70 2klb h GLY 139 N 0.34 0.53 0.99 0.83 0.00 -0.39 -2.24 103.07 103.13 2klb h GLY 139 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 2klb h GLY 139 CO 0.07 -0.06 -0.16 1.46 0.00 0.00 0.00 176.54 177.85 2klb h GLN 140 N 0.21 -0.41 -0.24 4.80 4.20 -1.18 -2.88 115.11 119.61 2klb h GLN 140 Ca 0.22 0.03 0.06 0.00 0.06 0.00 0.00 58.65 59.02 2klb h GLN 140 Cb 0.29 0.09 -0.07 0.00 0.30 0.00 0.00 27.48 28.10 2klb h GLN 140 CO -0.30 -0.27 -0.23 2.35 -0.67 0.00 0.00 178.83 179.70 2klb h TRP 141 N -0.42 -0.61 -0.75 2.96 7.01 -1.47 -1.35 115.95 121.32 2klb h TRP 141 Ca -0.04 0.04 0.06 0.00 2.11 0.00 0.00 58.89 61.06 2klb h TRP 141 Cb 0.33 0.31 -0.06 0.00 -2.10 0.00 0.00 29.16 27.64 2klb h TRP 141 CO -0.06 -0.31 0.44 0.28 -2.79 0.00 0.00 178.44 176.00 2klb h VAL 142 N -0.24 1.01 0.00 2.65 2.07 -1.41 -2.24 116.25 118.09 2klb h VAL 142 Ca 0.14 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 2klb h VAL 142 Cb 0.45 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2klb h VAL 142 CO -0.38 0.15 -0.01 0.00 0.02 0.00 0.00 177.57 177.35 2klb h THR 143 N 0.82 1.72 -0.00 2.57 1.03 -1.21 -3.36 112.91 114.48 2klb h THR 143 Ca 0.33 -2.13 0.00 0.00 -0.01 0.00 0.00 66.41 64.60 2klb h THR 143 Cb 0.17 3.17 0.00 0.00 -1.07 0.00 0.00 68.15 70.42 2klb h THR 143 CO -0.17 0.55 -0.12 -2.11 -0.01 0.00 0.00 175.52 173.67 2klb n ARG 144 N -4.65 0.70 0.27 0.00 -4.01 -0.55 -3.74 116.66 104.68 2klb n ARG 144 Ca -0.10 -0.25 0.19 0.00 -1.04 0.00 0.00 57.85 56.65 2klb n ARG 144 Cb 0.44 -1.49 0.95 0.00 -3.04 0.00 0.00 32.46 29.32 2klb n ARG 144 CO 0.00 0.00 0.00 0.22 -3.04 0.00 0.00 177.63 174.81 2klb h ASP 145 N 0.61 0.00 1.16 2.89 3.58 -1.54 -0.65 116.42 122.47 2klb h ASP 145 Ca 0.00 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.30 2klb h ASP 145 Cb 0.37 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.39 2klb h ASP 145 CO 0.00 0.00 -0.71 0.03 -2.88 0.00 0.00 179.24 175.68 2klb h ARG 146 N 0.00 0.00 0.00 0.28 -0.00 -1.82 -3.45 114.38 109.39 2klb h ARG 146 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2klb h ARG 146 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.07 2klb h ARG 146 CO 0.00 0.71 0.00 -0.11 0.00 0.00 0.00 179.97 180.57 2klb n LEU 147 N -3.35 0.00 -1.70 3.04 0.00 -1.02 -5.13 117.00 108.84 2klb n LEU 147 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 56.01 2klb n LEU 147 Cb 0.79 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 44.20 2klb n LEU 147 CO 0.43 0.00 -0.12 1.21 0.00 0.00 0.00 177.39 178.91 2klb n GLU 148 N -0.62 -0.82 0.00 1.96 2.13 -0.28 -4.95 120.64 118.05 2klb n GLU 148 Ca 0.00 1.03 0.12 0.00 0.66 0.00 0.00 57.16 58.97 2klb n GLU 148 Cb 0.00 -1.76 0.22 0.00 0.27 0.00 0.00 31.44 30.17 2klb n GLU 148 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2klb n HIS 149 N 0.29 0.00 0.00 4.31 -0.00 -1.26 -5.01 115.22 113.55 2klb n HIS 149 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.65 2klb n HIS 149 Cb 0.10 -0.09 0.00 0.00 -0.00 0.00 0.00 29.99 30.00 2klb n HIS 149 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2klb n HIS 150 N -0.62 0.00 -3.10 1.57 -0.00 -1.26 -4.86 115.22 106.95 2klb n HIS 150 Ca 0.10 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.10 2klb n HIS 150 Cb 0.38 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 30.27 2klb n HIS 150 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2klb n HIS 151 N 0.00 -2.97 -3.62 1.57 -0.00 -1.26 -5.00 115.22 103.93 2klb n HIS 151 Ca 0.00 1.23 -0.06 0.00 -0.00 0.00 0.00 57.72 58.89 2klb n HIS 151 Cb 0.00 -3.00 -0.05 0.00 -0.00 0.00 0.00 29.99 26.94 2klb n HIS 151 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2klb s HIS 152 N -1.96 -0.22 0.09 1.57 5.04 -1.26 -4.66 115.29 113.89 2klb s HIS 152 Ca 0.25 0.44 0.03 0.00 -1.54 0.00 0.00 55.06 54.23 2klb s HIS 152 Cb -0.05 0.46 -0.04 0.00 0.04 0.00 0.00 32.58 33.00 2klb s HIS 152 CO 0.74 -0.17 -0.08 -1.58 -2.34 0.00 0.00 174.74 171.31 2klb s HIS 153 N -0.69 0.92 -2.10 3.88 2.46 -1.26 -5.15 115.29 113.35 2klb s HIS 153 Ca 0.04 -0.72 0.31 0.00 0.47 0.00 0.00 55.06 55.16 2klb s HIS 153 Cb -0.02 -0.52 1.73 0.00 -0.13 0.00 0.00 32.58 33.64 2klb s HIS 153 CO -0.06 -0.07 2.13 0.72 -2.47 0.00 0.00 174.74 174.99