#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 0.00-11.97 -2.74 0.44 2.08 -1.22 -1.27 119.36 104.68 2klb n ILE 2 Ca 0.00 1.82 -0.42 0.00 0.56 0.00 0.00 62.75 64.70 2klb n ILE 2 Cb 0.00 -6.93 -0.03 0.00 -0.75 0.00 0.00 39.64 31.93 2klb n ILE 2 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 2klb s GLY 3 N -1.65 1.58 -0.23 7.39 0.00 -0.60 -1.55 107.32 112.25 2klb s GLY 3 Ca 0.01 -2.50 -0.27 0.00 0.00 0.00 0.00 44.72 41.96 2klb s GLY 3 CO 0.78 2.36 0.95 0.54 0.00 0.00 0.00 173.10 177.73 2klb s VAL 4 N 3.87 4.75 -0.19 1.40 0.11 -0.26 -0.72 120.40 129.36 2klb s VAL 4 Ca 0.39 1.84 -0.15 0.00 -2.93 0.00 0.00 61.98 61.13 2klb s VAL 4 Cb -0.02 -4.23 -0.04 0.00 -1.53 0.00 0.00 36.38 30.55 2klb s VAL 4 CO -0.10 -0.13 0.36 -0.36 -3.33 0.00 0.00 175.10 171.54 2klb s PHE 5 N 3.03 3.40 0.35 1.54 0.08 0.94 -0.68 117.98 126.64 2klb s PHE 5 Ca 0.40 0.60 -0.13 0.00 0.12 0.00 0.00 56.93 57.92 2klb s PHE 5 Cb -0.15 -2.45 0.05 0.00 -0.57 0.00 0.00 43.02 39.89 2klb s PHE 5 CO 0.07 0.08 0.70 2.48 -0.10 0.00 0.00 175.22 178.45 2klb n TYR 6 N 4.14 -2.19 -3.71 0.36 4.11 -0.91 -3.06 117.16 115.90 2klb n TYR 6 Ca -0.10 -1.70 -0.28 0.00 -0.00 0.00 0.00 57.90 55.82 2klb n TYR 6 Cb 0.51 0.82 -0.16 0.00 -0.00 0.00 0.00 39.34 40.51 2klb n TYR 6 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 2klb s VAL 7 N -2.22 0.55 0.19 -3.48 0.11 -1.26 -2.06 120.40 112.22 2klb s VAL 7 Ca 0.15 -0.81 0.24 0.00 -2.93 0.00 0.00 61.98 58.63 2klb s VAL 7 Cb -0.04 -1.20 0.23 0.00 -1.53 0.00 0.00 36.38 33.84 2klb s VAL 7 CO 0.11 -0.40 1.86 0.28 -3.33 0.00 0.00 175.10 173.63 2klb h SER 8 N 8.22 0.00 -0.41 3.54 0.02 -1.95 -1.94 113.55 121.02 2klb h SER 8 Ca -0.16 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.84 2klb h SER 8 Cb 1.08 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.57 2klb h SER 8 CO 0.38 0.22 0.13 -0.08 -1.14 0.00 0.00 176.83 176.35 2klb h GLU 9 N 0.00 0.28 -0.59 3.45 4.81 -1.94 0.13 114.58 120.73 2klb h GLU 9 Ca -0.00 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 2klb h GLU 9 Cb 0.69 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.94 2klb h GLU 9 CO 0.03 0.18 0.12 0.98 -0.73 0.00 0.00 179.01 179.59 2klb n TYR 10 N -5.03 2.02 -0.78 0.92 9.36 -1.22 -5.02 117.16 117.41 2klb n TYR 10 Ca 0.03 -1.00 -0.13 0.00 3.32 0.00 0.00 57.90 60.11 2klb n TYR 10 Cb 0.16 -0.56 -0.11 0.00 -0.63 0.00 0.00 39.34 38.20 2klb n TYR 10 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2klb n GLY 11 N 0.01 -0.26 0.09 2.98 0.00 0.03 -4.71 105.19 103.33 2klb n GLY 11 Ca 0.33 0.11 -0.10 0.00 0.00 0.00 0.00 46.02 46.36 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 3.33 0.00 0.76 1.61 4.02 -1.26 -4.70 117.16 120.92 2klb n TYR 12 Ca 0.35 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.37 2klb n TYR 12 Cb 0.06 -0.77 0.48 0.00 -0.02 0.00 0.00 39.34 39.10 2klb n TYR 12 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2klb n SER 13 N -2.78 0.51 -0.27 7.72 7.64 -1.26 -3.69 113.62 121.49 2klb n SER 13 Ca -0.29 0.55 -0.04 0.00 1.01 0.00 0.00 58.87 60.10 2klb n SER 13 Cb 0.95 -0.69 0.12 0.00 -1.01 0.00 0.00 64.21 63.59 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 1.02 -0.18 6.43 2.03 -1.85 0.71 116.42 124.58 2klb h ASP 14 Ca 0.00 -0.12 -0.17 0.00 -0.73 0.00 0.00 57.03 56.01 2klb h ASP 14 Cb 0.64 -0.26 -0.00 0.00 -0.83 0.00 0.00 39.33 38.87 2klb h ASP 14 CO 0.00 0.87 -0.51 0.03 -1.03 0.00 0.00 179.24 178.60 2klb h ARG 15 N 1.11 0.76 -0.50 4.15 2.47 -1.91 -2.27 114.38 118.19 2klb h ARG 15 Ca 0.27 -0.46 -0.01 0.00 -1.26 0.00 0.00 59.98 58.52 2klb h ARG 15 Cb 0.12 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.46 2klb h ARG 15 CO -0.03 1.08 0.27 -0.07 0.56 0.00 0.00 179.97 181.78 2klb h LEU 16 N 0.59 0.62 -1.00 3.04 3.38 -1.57 -2.59 115.31 117.79 2klb h LEU 16 Ca 0.02 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 2klb h LEU 16 Cb 1.08 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 2klb h LEU 16 CO 0.11 0.54 0.16 0.00 0.09 0.00 0.00 178.44 179.34 2klb h ALA 17 N 1.11 1.19 -0.76 1.53 0.00 -0.85 -2.80 119.26 118.68 2klb h ALA 17 Ca 0.17 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2klb h ALA 17 Cb 0.05 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 2klb h ALA 17 CO -0.03 0.56 0.47 0.37 0.00 0.00 0.00 179.25 180.62 2klb h GLN 18 N 0.86 0.87 -0.69 0.00 4.15 -1.05 0.34 115.11 119.59 2klb h GLN 18 Ca 0.19 -0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.59 2klb h GLN 18 Cb 0.28 -0.20 -0.04 0.00 0.21 0.00 0.00 27.48 27.73 2klb h GLN 18 CO -0.01 0.57 0.43 0.00 -1.93 0.00 0.00 178.83 177.90 2klb h ALA 19 N 1.34 0.90 0.11 3.38 0.00 -1.21 0.73 119.26 124.51 2klb h ALA 19 Ca 0.31 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2klb h ALA 19 Cb 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2klb h ALA 19 CO -0.13 0.20 -0.05 0.82 0.00 0.00 0.00 179.25 180.08 2klb h ILE 20 N 0.84 0.94 -0.77 0.00 2.04 -1.22 -2.41 117.51 116.94 2klb h ILE 20 Ca 0.28 -0.21 0.09 0.00 1.00 0.00 0.00 64.86 66.01 2klb h ILE 20 Cb 0.02 1.08 -0.07 0.00 -0.74 0.00 0.00 36.82 37.11 2klb h ILE 20 CO -0.11 0.05 0.42 0.40 0.00 0.00 0.00 178.15 178.92 2klb h ILE 21 N -0.25 0.90 -0.29 -0.67 2.04 -0.65 0.15 117.51 118.73 2klb h ILE 21 Ca -0.02 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 2klb h ILE 21 Cb 0.20 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 2klb h ILE 21 CO 0.03 0.13 0.11 -1.13 0.00 0.00 0.00 178.15 177.29 2klb h ASN 22 N 0.72 0.35 0.66 1.72 -1.24 -0.73 -0.85 115.58 116.22 2klb h ASN 22 Ca 0.37 -0.03 -0.27 0.00 0.71 0.00 0.00 56.30 57.09 2klb h ASN 22 Cb 0.34 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.27 2klb h ASN 22 CO -0.25 0.33 -1.39 1.23 -1.29 0.00 0.00 177.43 176.06 2klb h GLY 23 N 0.54 0.10 0.00 1.57 0.00 -0.72 -3.33 103.07 101.24 2klb h GLY 23 Ca 0.10 -0.25 -0.12 0.00 0.00 0.00 0.00 47.33 47.06 2klb h GLY 23 CO -0.01 0.22 -0.66 -2.22 0.00 0.00 0.00 176.54 173.87 2klb h ILE 24 N 0.02 1.25 -0.58 2.60 1.08 -0.81 -3.33 117.51 117.74 2klb h ILE 24 Ca -0.17 -2.19 -0.05 0.00 -0.39 0.00 0.00 64.86 62.06 2klb h ILE 24 Cb 1.93 2.61 -0.03 0.00 -3.07 0.00 0.00 36.82 38.26 2klb h ILE 24 CO 0.13 0.42 0.17 0.71 -0.69 0.00 0.00 178.15 178.89 2klb h THR 25 N -1.00 1.23 0.00 -0.27 1.35 -0.95 -1.15 112.91 112.11 2klb h THR 25 Ca -0.18 -0.79 -0.02 0.00 -0.55 0.00 0.00 66.41 64.87 2klb h THR 25 Cb 1.12 0.60 -0.00 0.00 -1.73 0.00 0.00 68.15 68.13 2klb h THR 25 CO -0.11 0.30 -0.10 0.50 -0.25 0.00 0.00 175.52 175.86 2klb h LYS 26 N 0.85 0.00 -0.00 4.72 3.64 -1.75 -0.88 116.57 123.16 2klb h LYS 26 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2klb h LYS 26 Cb 0.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2klb h LYS 26 CO -0.01 0.10 -0.05 2.41 -2.27 0.00 0.00 179.45 179.63 2klb n THR 27 N -3.55 0.00 -0.00 1.00 -1.04 -0.46 -4.91 114.28 105.32 2klb n THR 27 Ca -0.02 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2klb n THR 27 Cb 0.23 -0.39 0.00 0.00 -1.82 0.00 0.00 70.33 68.35 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 1.39 1.00 3.28 3.41 0.00 -0.33 -5.09 105.19 108.84 2klb n GLY 28 Ca 0.11 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 2.57 0.37 1.61 1.01 -1.07 -5.01 120.40 117.87 2klb s VAL 29 Ca 0.00 -0.82 -0.25 0.00 0.00 0.00 0.00 61.98 60.91 2klb s VAL 29 Cb 0.00 -2.05 -0.09 0.00 0.00 0.00 0.00 36.38 34.23 2klb s VAL 29 CO 0.00 0.53 1.00 -0.83 0.00 0.00 0.00 175.10 175.81 2klb s GLY 30 N 0.51 2.75 -0.05 4.51 0.00 -1.26 -2.72 107.32 111.05 2klb s GLY 30 Ca -0.12 0.62 0.01 0.00 0.00 0.00 0.00 44.72 45.23 2klb s GLY 30 CO 0.05 1.05 -0.05 0.14 0.00 0.00 0.00 173.10 174.29 2klb s VAL 31 N -1.66 3.86 -0.24 1.40 1.01 -1.25 -0.04 120.40 123.48 2klb s VAL 31 Ca 0.55 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.98 2klb s VAL 31 Cb -0.20 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.56 2klb s VAL 31 CO 0.26 0.54 -0.01 -1.81 0.00 0.00 0.00 175.10 174.07 2klb s ASP 32 N -1.02 4.52 -0.09 3.32 1.01 -0.40 -4.78 116.67 119.23 2klb s ASP 32 Ca 0.14 -0.54 -0.14 0.00 0.71 0.00 0.00 52.55 52.72 2klb s ASP 32 Cb -0.11 -1.76 -0.05 0.00 1.01 0.00 0.00 42.92 42.01 2klb s ASP 32 CO 0.04 -0.08 0.33 0.68 0.21 0.00 0.00 175.17 176.35 2klb s VAL 33 N 1.46 5.22 -0.25 -1.27 -7.23 -1.26 -1.10 120.40 115.96 2klb s VAL 33 Ca 0.04 0.65 -0.02 0.00 -1.81 0.00 0.00 61.98 60.84 2klb s VAL 33 Cb -0.15 -3.65 0.08 0.00 0.56 0.00 0.00 36.38 33.22 2klb s VAL 33 CO -0.02 0.49 0.06 -0.69 -0.31 0.00 0.00 175.10 174.63 2klb s VAL 34 N -0.31 0.68 -0.93 1.32 1.01 0.14 -4.93 120.40 117.38 2klb s VAL 34 Ca 0.20 -0.98 -0.24 0.00 0.00 0.00 0.00 61.98 60.96 2klb s VAL 34 Cb -0.14 -1.35 0.03 0.00 0.00 0.00 0.00 36.38 34.92 2klb s VAL 34 CO 0.08 -0.45 1.47 -1.81 0.00 0.00 0.00 175.10 174.39 2klb s ASP 35 N 1.75 6.27 0.17 3.32 1.11 -1.26 -2.15 116.67 125.89 2klb s ASP 35 Ca 0.04 -1.11 0.19 0.00 0.18 0.00 0.00 52.55 51.86 2klb s ASP 35 Cb -0.17 -2.57 0.83 0.00 1.07 0.00 0.00 42.92 42.09 2klb s ASP 35 CO -0.18 -1.72 1.59 0.00 1.18 0.00 0.00 175.17 176.04 2klb n LEU 36 N 9.56 0.42 -0.04 1.23 -0.00 -0.88 -1.86 117.00 125.43 2klb n LEU 36 Ca 0.27 0.62 0.13 0.00 -0.00 0.00 0.00 56.01 57.03 2klb n LEU 36 Cb 0.50 -0.58 0.51 0.00 -0.00 0.00 0.00 43.42 43.86 2klb n LEU 36 CO 0.67 -0.51 0.78 0.61 -0.00 0.00 0.00 177.39 178.94 2klb n GLY 37 N -0.24 -1.23 3.98 1.47 0.00 -1.25 -4.38 105.19 103.54 2klb n GLY 37 Ca 0.02 -0.23 -0.19 0.00 0.00 0.00 0.00 46.02 45.62 2klb n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2klb s ALA 38 N -2.81 4.45 -1.14 4.61 0.00 -0.78 -4.75 121.76 121.35 2klb s ALA 38 Ca 0.19 -1.80 -0.22 0.00 0.00 0.00 0.00 51.96 50.12 2klb s ALA 38 Cb 0.19 -1.37 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 2klb s ALA 38 CO 0.56 -0.42 1.87 0.00 0.00 0.00 0.00 175.76 177.77 2klb s ALA 39 N -2.49 2.11 0.73 0.00 0.00 -1.26 -4.96 121.76 115.89 2klb s ALA 39 Ca 0.53 -2.17 -0.11 0.00 0.00 0.00 0.00 51.96 50.22 2klb s ALA 39 Cb -0.07 -4.64 0.03 0.00 0.00 0.00 0.00 23.12 18.45 2klb s ALA 39 CO 0.32 -4.69 1.08 0.14 0.00 0.00 0.00 175.76 172.61 2klb s VAL 40 N 9.19 3.61 0.19 0.00 -7.23 -1.26 -5.10 120.40 119.80 2klb s VAL 40 Ca 0.65 0.52 0.01 0.00 -1.81 0.00 0.00 61.98 61.34 2klb s VAL 40 Cb -0.01 -3.33 -0.05 0.00 0.56 0.00 0.00 36.38 33.55 2klb s VAL 40 CO 0.08 -0.68 0.06 -0.62 -0.31 0.00 0.00 175.10 173.63 2klb s ASP 41 N -3.97 0.84 0.59 4.85 2.15 -1.26 -5.03 116.67 114.83 2klb s ASP 41 Ca 0.59 -1.28 0.29 0.00 0.43 0.00 0.00 52.55 52.58 2klb s ASP 41 Cb -0.13 0.21 1.78 0.00 -0.30 0.00 0.00 42.92 44.48 2klb s ASP 41 CO 0.54 -0.69 2.23 -0.07 -0.17 0.00 0.00 175.17 177.01 2klb h LEU 42 N 2.63 0.00 -1.57 -1.34 -0.00 -1.99 0.76 115.31 113.81 2klb h LEU 42 Ca -0.37 0.00 0.11 0.00 -0.00 0.00 0.00 57.88 57.62 2klb h LEU 42 Cb 1.22 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.84 2klb h LEU 42 CO 0.60 0.00 0.44 1.56 -0.00 0.00 0.00 178.44 181.04 2klb h GLN 43 N 0.00 0.46 0.00 1.13 4.20 -2.00 0.73 115.11 119.63 2klb h GLN 43 Ca 0.01 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.59 2klb h GLN 43 Cb 0.07 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 2klb h GLN 43 CO -0.00 0.31 -0.56 1.49 -0.67 0.00 0.00 178.83 179.40 2klb h GLU 44 N 0.48 0.00 -0.45 1.46 4.57 -1.29 -3.36 114.58 115.99 2klb h GLU 44 Ca 0.31 0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.59 2klb h GLU 44 Cb 0.58 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.14 2klb h GLU 44 CO -0.10 0.99 0.31 -0.07 -1.18 0.00 0.00 179.01 178.96 2klb h LEU 45 N -1.00 0.16 -0.29 1.64 3.38 -1.12 -0.97 115.31 117.11 2klb h LEU 45 Ca -0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2klb h LEU 45 Cb 1.13 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2klb h LEU 45 CO -0.09 0.10 0.11 -0.09 0.09 0.00 0.00 178.44 178.56 2klb h ARG 46 N 0.18 0.43 -0.39 1.13 2.43 -1.02 -2.74 114.38 114.40 2klb h ARG 46 Ca 0.21 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 2klb h ARG 46 Cb 0.58 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 2klb h ARG 46 CO -0.03 0.46 0.08 1.49 -1.51 0.00 0.00 179.97 180.45 2klb h GLU 47 N 0.31 0.58 -0.68 0.20 4.81 -1.35 -2.14 114.58 116.31 2klb h GLU 47 Ca 0.10 -0.10 0.12 0.00 -0.13 0.00 0.00 59.36 59.34 2klb h GLU 47 Cb 0.19 -0.10 -0.09 0.00 0.63 0.00 0.00 28.75 29.39 2klb h GLU 47 CO -0.01 0.55 0.24 1.25 -0.73 0.00 0.00 179.01 180.30 2klb h LEU 48 N 0.57 0.19 -1.18 1.64 5.85 -1.05 0.24 115.31 121.58 2klb h LEU 48 Ca 0.13 0.10 0.09 0.00 0.84 0.00 0.00 57.88 59.04 2klb h LEU 48 Cb 0.24 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 2klb h LEU 48 CO -0.00 0.09 0.58 0.58 -0.34 0.00 0.00 178.44 179.35 2klb h VAL 49 N 0.39 0.99 0.00 1.05 2.07 -1.13 -0.75 116.25 118.87 2klb h VAL 49 Ca 0.36 -0.32 -0.12 0.00 0.82 0.00 0.00 66.70 67.44 2klb h VAL 49 Cb 0.52 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 2klb h VAL 49 CO -0.38 0.17 -0.59 1.23 0.02 0.00 0.00 177.57 178.02 2klb h GLY 50 N 0.93 0.00 -0.82 2.17 0.00 -0.97 -2.98 103.07 101.40 2klb h GLY 50 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 2klb h GLY 50 CO -0.17 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.91 2klb n ARG 51 N -3.83 1.70 -0.06 4.80 3.00 -0.22 -4.43 116.66 117.63 2klb n ARG 51 Ca -0.01 -1.06 0.25 0.00 -0.01 0.00 0.00 57.85 57.01 2klb n ARG 51 Cb 0.59 -1.37 0.72 0.00 0.00 0.00 0.00 32.46 32.40 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 0.84 -2.63 0.00 1.35 -1.85 -3.40 112.91 107.22 2klb h THR 53 Ca 0.32 -0.28 -0.11 0.00 -0.55 0.00 0.00 66.41 65.79 2klb h THR 53 Cb 1.48 -0.04 -0.25 0.00 -1.73 0.00 0.00 68.15 67.61 2klb h THR 53 CO -0.00 0.15 -0.24 -0.83 -0.25 0.00 0.00 175.52 174.35 2klb s GLY 54 N -3.62 -0.34 0.29 5.82 0.00 -0.69 -2.31 107.32 106.48 2klb s GLY 54 Ca -0.11 1.43 0.03 0.00 0.00 0.00 0.00 44.72 46.08 2klb s GLY 54 CO 0.80 1.42 0.19 1.08 0.00 0.00 0.00 173.10 176.58 2klb s LEU 55 N 0.85 1.57 -0.15 0.66 1.43 0.33 -1.56 118.68 121.81 2klb s LEU 55 Ca -0.05 -1.57 -0.04 0.00 -1.03 0.00 0.00 54.13 51.43 2klb s LEU 55 Cb -0.06 0.34 0.05 0.00 0.03 0.00 0.00 46.19 46.56 2klb s LEU 55 CO -0.07 -0.93 0.08 -0.69 0.23 0.00 0.00 176.35 174.98 2klb s VAL 56 N -3.69 -0.07 -0.14 -1.59 1.01 0.10 0.05 120.40 116.07 2klb s VAL 56 Ca 0.38 -0.08 -0.18 0.00 0.00 0.00 0.00 61.98 62.10 2klb s VAL 56 Cb 0.05 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 2klb s VAL 56 CO 0.19 -0.20 0.48 -0.63 0.00 0.00 0.00 175.10 174.94 2klb s ILE 57 N 2.13 5.17 -0.01 2.22 1.09 0.38 -0.04 121.20 132.14 2klb s ILE 57 Ca 0.02 0.94 0.03 0.00 -1.10 0.00 0.00 60.65 60.55 2klb s ILE 57 Cb -0.15 -3.82 -0.01 0.00 -1.06 0.00 0.00 42.46 37.42 2klb s ILE 57 CO -0.08 0.29 -0.11 -0.83 -0.10 0.00 0.00 174.94 174.11 2klb s GLY 58 N 0.77 0.55 0.60 6.18 0.00 -1.17 -3.92 107.32 110.32 2klb s GLY 58 Ca 0.25 -0.48 -0.09 0.00 0.00 0.00 0.00 44.72 44.40 2klb s GLY 58 CO 0.10 -0.39 0.96 1.06 0.00 0.00 0.00 173.10 174.83 2klb s MET 59 N -0.25 3.35 0.13 2.90 -1.94 -1.26 -4.71 119.30 117.53 2klb s MET 59 Ca 0.04 0.45 -0.05 0.00 -1.71 0.00 0.00 55.69 54.42 2klb s MET 59 Cb -0.04 -2.17 -0.02 0.00 2.01 0.00 0.00 34.83 34.60 2klb s MET 59 CO -0.00 -0.58 0.15 -1.54 -0.01 0.00 0.00 175.02 173.04 2klb s SER 60 N -4.21 0.20 1.12 3.03 1.04 -1.26 -4.08 113.70 109.54 2klb s SER 60 Ca 0.53 -1.00 -0.16 0.00 0.48 0.00 0.00 55.95 55.81 2klb s SER 60 Cb -0.11 0.34 0.18 0.00 0.10 0.00 0.00 66.02 66.53 2klb s SER 60 CO 0.50 -0.78 0.48 -2.65 0.98 0.00 0.00 173.24 171.77 2klb n PRO 61 N -0.12 -1.81 -0.14 4.02 -0.02 -1.21 -3.30 135.00 132.43 2klb n PRO 61 Ca -0.08 -0.50 -0.04 0.00 -2.02 0.00 0.00 63.50 60.86 2klb n PRO 61 Cb 0.63 -1.92 0.02 0.00 -0.02 0.00 0.00 33.50 32.21 2klb n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2klb h ALA 62 N -2.27 0.23 0.08 3.55 0.00 -1.91 0.12 119.26 119.06 2klb h ALA 62 Ca -0.56 0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.53 2klb h ALA 62 Cb 1.34 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 19.53 2klb h ALA 62 CO 0.42 -0.49 -0.13 0.00 0.00 0.00 0.00 179.25 179.05 2klb h ALA 63 N 1.35 -0.22 -0.14 0.00 0.00 -2.00 0.13 119.26 118.38 2klb h ALA 63 Ca 0.22 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2klb h ALA 63 Cb 0.39 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2klb h ALA 63 CO -0.50 -0.65 0.02 0.77 0.00 0.00 0.00 179.25 178.90 2klb h SER 64 N -0.27 0.00 -0.64 0.00 0.02 -1.75 -2.65 113.55 108.27 2klb h SER 64 Ca 0.02 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.05 2klb h SER 64 Cb 0.28 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.81 2klb h SER 64 CO -0.07 0.02 0.42 0.00 -1.14 0.00 0.00 176.83 176.06 2klb h ALA 65 N 1.10 1.75 -0.82 3.77 0.00 -0.51 -0.87 119.26 123.68 2klb h ALA 65 Ca 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2klb h ALA 65 Cb 0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2klb h ALA 65 CO -0.09 0.16 0.47 0.00 0.00 0.00 0.00 179.25 179.79 2klb h ALA 66 N 1.65 1.05 -0.49 0.00 0.00 -0.41 -1.04 119.26 120.02 2klb h ALA 66 Ca 0.27 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 2klb h ALA 66 Cb 0.22 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2klb h ALA 66 CO -0.08 0.54 0.01 0.77 0.00 0.00 0.00 179.25 180.49 2klb h SER 67 N 1.13 0.84 0.08 0.00 0.02 -0.91 -1.80 113.55 112.91 2klb h SER 67 Ca 0.29 -0.30 0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2klb h SER 67 Cb 0.00 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.28 2klb h SER 67 CO -0.05 0.93 -0.27 0.40 -1.14 0.00 0.00 176.83 176.71 2klb h ILE 68 N 0.72 0.40 -0.10 3.27 2.04 -0.93 -1.98 117.51 120.93 2klb h ILE 68 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.00 2klb h ILE 68 Cb 0.50 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 2klb h ILE 68 CO 0.02 0.00 0.07 1.56 0.00 0.00 0.00 178.15 179.80 2klb h GLN 69 N -0.46 0.12 -0.63 2.37 4.20 -1.16 0.17 115.11 119.72 2klb h GLN 69 Ca 0.04 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 2klb h GLN 69 Cb 0.50 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 2klb h GLN 69 CO -0.18 0.08 0.19 0.78 -0.67 0.00 0.00 178.83 179.03 2klb h GLY 70 N 0.12 1.06 -2.23 3.46 0.00 -0.60 -3.06 103.07 101.82 2klb h GLY 70 Ca 0.04 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.73 2klb h GLY 70 CO -0.01 0.59 0.00 0.00 0.00 0.00 0.00 176.54 177.12 2klb n ALA 71 N -2.41 2.42 -0.20 3.60 0.00 -0.91 -4.60 120.51 118.41 2klb n ALA 71 Ca 0.04 -0.96 0.11 0.00 0.00 0.00 0.00 53.44 52.63 2klb n ALA 71 Cb 0.22 -0.84 0.41 0.00 0.00 0.00 0.00 19.45 19.24 2klb n ALA 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2klb h LEU 72 N 4.41 0.57 -2.54 0.00 5.85 -0.57 -0.70 115.31 122.32 2klb h LEU 72 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2klb h LEU 72 Cb 0.98 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 2klb h LEU 72 CO 0.00 0.32 0.15 0.28 -0.34 0.00 0.00 178.44 178.85 2klb h SER 73 N 0.62 0.00 0.00 1.25 0.02 -1.81 0.77 113.55 114.39 2klb h SER 73 Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 2klb h SER 73 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 2klb h SER 73 CO -0.14 0.00 -1.06 0.41 -1.14 0.00 0.00 176.83 174.89 2klb n THR 74 N -3.00 0.00 -0.09 -2.27 -1.04 -0.28 -4.57 114.28 103.03 2klb n THR 74 Ca -0.02 -0.05 -0.23 0.00 -2.04 0.00 0.00 64.05 61.71 2klb n THR 74 Cb 0.21 0.92 -0.12 0.00 -1.82 0.00 0.00 70.33 69.52 2klb n THR 74 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2klb n ILE 75 N -1.55 1.59 -0.02 12.58 5.41 0.21 -4.58 119.36 133.00 2klb n ILE 75 Ca 0.03 -0.29 -0.10 0.00 1.00 0.00 0.00 62.75 63.40 2klb n ILE 75 Cb 0.34 -1.89 -0.04 0.00 -0.71 0.00 0.00 39.64 37.34 2klb n ILE 75 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2klb h LEU 76 N -0.66 -1.02 0.00 1.39 3.38 -1.65 -1.85 115.31 114.89 2klb h LEU 76 Ca -0.45 0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2klb h LEU 76 Cb 1.59 0.44 0.00 0.00 0.09 0.00 0.00 40.66 42.78 2klb h LEU 76 CO -0.17 -0.35 0.00 0.61 0.09 0.00 0.00 178.44 178.62 2klb n GLY 77 N -1.41 -0.30 0.02 0.83 0.00 -1.26 -2.48 105.19 100.59 2klb n GLY 77 Ca -0.02 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.08 2klb n GLY 77 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2klb n SER 78 N -0.73 0.63 -3.84 1.61 7.64 -0.70 -4.91 113.62 113.32 2klb n SER 78 Ca 0.03 -0.25 -0.18 0.00 1.01 0.00 0.00 58.87 59.48 2klb n SER 78 Cb 0.02 0.54 -0.16 0.00 -1.01 0.00 0.00 64.21 63.59 2klb n SER 78 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2klb s VAL 79 N -3.11 0.31 0.15 0.44 -7.23 -1.03 -4.75 120.40 105.18 2klb s VAL 79 Ca 0.07 0.01 -0.07 0.00 -1.81 0.00 0.00 61.98 60.18 2klb s VAL 79 Cb 0.15 -0.39 0.03 0.00 0.56 0.00 0.00 36.38 36.74 2klb s VAL 79 CO 0.76 0.18 0.36 -0.46 -0.31 0.00 0.00 175.10 175.63 2klb n ASN 80 N 4.14 -0.93 0.00 4.85 6.94 -1.26 -4.85 115.26 124.16 2klb n ASN 80 Ca -0.25 -1.61 0.00 0.00 -0.02 0.00 0.00 54.58 52.70 2klb n ASN 80 Cb 0.50 1.53 0.00 0.00 -2.36 0.00 0.00 39.78 39.46 2klb n ASN 80 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 2klb n GLU 81 N -0.25 0.00 0.00 -3.83 2.13 -0.02 -1.89 120.64 116.79 2klb n GLU 81 Ca -0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 2klb n GLU 81 Cb 0.25 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.96 2klb n GLU 81 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2klb n LYS 82 N 0.00 0.00 -1.66 5.31 2.85 -1.15 -4.62 118.16 118.89 2klb n LYS 82 Ca 0.00 0.00 -0.48 0.00 -1.05 0.00 0.00 58.31 56.78 2klb n LYS 82 Cb 0.00 -0.24 -0.05 0.00 -0.65 0.00 0.00 35.03 34.10 2klb n LYS 82 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2klb n GLN 83 N 0.00 1.96 -3.29 -1.58 3.00 -0.79 -4.22 117.38 112.46 2klb n GLN 83 Ca 0.00 0.71 -0.38 0.00 -0.01 0.00 0.00 57.00 57.32 2klb n GLN 83 Cb 0.12 -2.47 -0.06 0.00 0.00 0.00 0.00 30.24 27.83 2klb n GLN 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2klb s ALA 84 N 1.71 3.59 -0.21 -1.58 0.00 -0.98 -0.91 121.76 123.38 2klb s ALA 84 Ca 0.84 0.01 -0.02 0.00 0.00 0.00 0.00 51.96 52.79 2klb s ALA 84 Cb -0.74 -2.62 0.06 0.00 0.00 0.00 0.00 23.12 19.82 2klb s ALA 84 CO 0.44 0.41 0.01 0.14 0.00 0.00 0.00 175.76 176.76 2klb s VAL 85 N -1.17 0.82 0.47 0.00 -7.23 0.35 -0.51 120.40 113.13 2klb s VAL 85 Ca 0.30 -0.77 -0.22 0.00 -1.81 0.00 0.00 61.98 59.48 2klb s VAL 85 Cb -0.19 -1.27 -0.07 0.00 0.56 0.00 0.00 36.38 35.41 2klb s VAL 85 CO 0.19 -0.19 1.16 -0.83 -0.31 0.00 0.00 175.10 175.11 2klb s GLY 86 N 1.72 2.75 -0.13 2.32 0.00 0.11 -1.91 107.32 112.18 2klb s GLY 86 Ca -0.02 0.91 0.01 0.00 0.00 0.00 0.00 44.72 45.62 2klb s GLY 86 CO -0.08 1.35 -0.13 -0.42 0.00 0.00 0.00 173.10 173.82 2klb s ILE 87 N -1.58 1.46 -0.13 0.90 -1.09 -1.26 -0.47 121.20 119.03 2klb s ILE 87 Ca 0.65 -0.58 0.03 0.00 -2.23 0.00 0.00 60.65 58.52 2klb s ILE 87 Cb -0.28 -1.37 0.01 0.00 -1.58 0.00 0.00 42.46 39.24 2klb s ILE 87 CO 0.33 0.44 -0.23 0.72 -1.23 0.00 0.00 174.94 174.98 2klb s PHE 88 N 1.35 2.63 0.21 3.97 -0.71 -1.25 -4.58 117.98 119.59 2klb s PHE 88 Ca 0.01 -1.26 -0.30 0.00 -1.04 0.00 0.00 56.93 54.34 2klb s PHE 88 Cb -0.13 -1.78 -0.10 0.00 -1.21 0.00 0.00 43.02 39.80 2klb s PHE 88 CO -0.07 -0.56 1.43 -2.00 -1.34 0.00 0.00 175.22 172.68 2klb s GLU 89 N 0.68 4.29 0.00 1.99 2.56 -1.26 -4.81 118.70 122.15 2klb s GLU 89 Ca -0.11 2.24 0.00 0.00 0.00 0.00 0.00 54.97 57.10 2klb s GLU 89 Cb -0.16 -3.15 0.00 0.00 2.00 0.00 0.00 34.13 32.82 2klb s GLU 89 CO 0.01 -0.43 0.00 2.41 -0.56 0.00 0.00 175.26 176.70 2klb n THR 90 N 2.91 0.00 0.00 -1.70 -1.04 -1.26 -4.94 114.28 108.25 2klb n THR 90 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 2klb n THR 90 Cb 0.41 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 2klb n THR 90 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2klb n GLY 91 N -0.08 1.33 2.23 3.41 0.00 -1.26 -4.61 105.19 106.22 2klb n GLY 91 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 2.10 0.00 -0.02 0.00 -1.26 -4.43 105.19 101.59 2klb n GLY 92 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.50 3.55 -0.02 0.00 -1.22 -3.29 105.19 102.71 2klb n GLY 93 Ca 0.00 0.55 -0.43 0.00 0.00 0.00 0.00 46.02 46.14 2klb n GLY 93 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2klb s ASP 94 N 0.00 6.42 -0.07 1.61 -1.08 -1.21 -4.81 116.67 117.53 2klb s ASP 94 Ca 0.00 -0.02 0.11 0.00 -0.52 0.00 0.00 52.55 52.12 2klb s ASP 94 Cb 0.00 -2.36 0.45 0.00 -1.46 0.00 0.00 42.92 39.55 2klb s ASP 94 CO 0.00 -0.79 1.30 -0.90 0.52 0.00 0.00 175.17 175.30 2klb n ASP 95 N 6.44 3.17 -0.11 -0.34 5.75 -1.26 -4.33 116.55 125.86 2klb n ASP 95 Ca 0.01 -2.29 -0.22 0.00 -0.01 0.00 0.00 54.79 52.28 2klb n ASP 95 Cb 0.48 -0.46 -0.11 0.00 -1.03 0.00 0.00 41.12 40.00 2klb n ASP 95 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2klb n GLU 96 N 0.60 0.56 0.00 0.11 2.13 -1.26 -4.39 120.64 118.39 2klb n GLU 96 Ca 0.16 0.54 0.09 0.00 0.66 0.00 0.00 57.16 58.61 2klb n GLU 96 Cb 0.61 -1.72 0.48 0.00 0.27 0.00 0.00 31.44 31.08 2klb n GLU 96 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 2klb n PRO 97 N -4.42 0.42 0.19 5.31 -0.04 -1.26 -2.75 135.00 132.45 2klb n PRO 97 Ca -0.33 0.05 0.06 0.00 -0.04 0.00 0.00 63.50 63.24 2klb n PRO 97 Cb 0.69 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.99 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 0.00 0.87 0.04 0.52 2.10 -1.83 -3.32 117.51 115.88 2klb h ILE 98 Ca 0.00 -1.49 0.03 0.00 1.08 0.00 0.00 64.86 64.48 2klb h ILE 98 Cb 0.07 1.91 -0.04 0.00 -1.09 0.00 0.00 36.82 37.67 2klb h ILE 98 CO 0.00 0.36 -0.24 -0.78 -1.08 0.00 0.00 178.15 176.41 2klb h ASP 99 N 0.00 -0.69 0.41 2.19 3.58 -1.80 -1.10 116.42 119.01 2klb h ASP 99 Ca -0.00 0.09 -0.08 0.00 0.42 0.00 0.00 57.03 57.46 2klb h ASP 99 Cb 0.88 0.28 -0.01 0.00 1.72 0.00 0.00 39.33 42.20 2klb h ASP 99 CO 0.05 -0.31 -0.36 1.55 -2.88 0.00 0.00 179.24 177.28 2klb h PRO 100 N -0.39 0.00 -0.12 0.28 0.13 -1.84 -3.23 132.00 126.83 2klb h PRO 100 Ca 0.05 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.18 2klb h PRO 100 Cb 0.45 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 2klb h PRO 100 CO -0.19 0.36 0.06 1.25 -0.23 0.00 0.00 178.00 179.26 2klb h LEU 101 N 0.00 0.16 -2.53 1.56 6.46 -1.43 -0.57 115.31 118.95 2klb h LEU 101 Ca -0.00 -0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 57.66 2klb h LEU 101 Cb 0.67 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.56 2klb h LEU 101 CO 0.05 0.21 -0.02 -0.07 -0.62 0.00 0.00 178.44 177.99 2klb h LEU 102 N 0.09 0.00 0.00 2.25 3.38 -1.25 -3.31 115.31 116.47 2klb h LEU 102 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2klb h LEU 102 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2klb h LEU 102 CO -0.01 0.02 0.00 -0.24 0.09 0.00 0.00 178.44 178.30 2klb n SER 103 N -3.55 0.00 -0.32 -0.43 2.88 -1.01 -4.68 113.62 106.51 2klb n SER 103 Ca -0.03 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.56 2klb n SER 103 Cb 0.11 -0.40 0.20 0.00 -0.75 0.00 0.00 64.21 63.37 2klb n SER 103 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2klb h LYS 104 N 0.00 0.82 -0.04 -1.46 1.63 -1.26 -0.47 116.57 115.79 2klb h LYS 104 Ca 0.00 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.76 2klb h LYS 104 Cb 0.00 -0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 31.44 2klb h LYS 104 CO 0.00 0.54 0.04 0.74 -3.45 0.00 0.00 179.45 177.32 2klb h PHE 105 N 0.85 0.00 -0.14 1.91 -1.00 -1.75 0.18 116.94 116.99 2klb h PHE 105 Ca 0.45 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 61.09 2klb h PHE 105 Cb 0.45 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.00 2klb h PHE 105 CO -0.04 0.00 -0.51 0.00 -1.61 0.00 0.00 178.31 176.14 2klb h ARG 106 N 0.00 0.38 -0.16 1.51 3.08 -1.34 -2.72 114.38 115.14 2klb h ARG 106 Ca 0.02 -0.23 -0.12 0.00 0.07 0.00 0.00 59.98 59.72 2klb h ARG 106 Cb 0.10 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2klb h ARG 106 CO -0.00 0.81 -0.44 -0.91 -1.07 0.00 0.00 179.97 178.35 2klb h ASN 107 N 0.30 0.40 -0.08 7.04 4.21 -0.70 -2.96 115.58 123.80 2klb h ASN 107 Ca 0.01 -0.18 -0.09 0.00 1.21 0.00 0.00 56.30 57.25 2klb h ASN 107 Cb 1.01 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 38.08 2klb h ASN 107 CO 0.09 0.79 -0.22 -0.07 -1.29 0.00 0.00 177.43 176.73 2klb h LEU 108 N 0.31 0.49 0.00 1.61 4.07 -1.30 -3.48 115.31 117.01 2klb h LEU 108 Ca 0.02 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.82 2klb h LEU 108 Cb 0.90 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.51 2klb h LEU 108 CO 0.08 0.72 0.00 0.61 -1.08 0.00 0.00 178.44 178.77 2klb n GLY 109 N -0.42 1.80 3.67 0.83 0.00 -1.08 -0.84 105.19 109.15 2klb n GLY 109 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 4.24 -0.84 0.99 1.02 -1.05 -2.91 118.68 120.14 2klb s LEU 110 Ca 0.00 1.80 -0.25 0.00 0.02 0.00 0.00 54.13 55.70 2klb s LEU 110 Cb 0.00 -3.55 -0.00 0.00 0.02 0.00 0.00 46.19 42.66 2klb s LEU 110 CO 0.00 -0.68 1.67 -0.89 0.02 0.00 0.00 176.35 176.46 2klb s THR 111 N 2.84 3.61 0.45 5.49 2.01 -0.09 -4.80 115.64 125.14 2klb s THR 111 Ca 0.57 -0.20 -0.21 0.00 0.31 0.00 0.00 61.69 62.15 2klb s THR 111 Cb -0.24 -4.45 -0.09 0.00 0.01 0.00 0.00 72.50 67.73 2klb s THR 111 CO 0.19 -1.38 1.01 0.42 -0.69 0.00 0.00 174.62 174.17 2klb s THR 112 N 7.67 3.99 -0.02 -0.82 -4.23 -1.26 -0.49 115.64 120.47 2klb s THR 112 Ca 0.56 1.30 -0.02 0.00 -1.18 0.00 0.00 61.69 62.36 2klb s THR 112 Cb -0.06 -3.56 -0.01 0.00 1.34 0.00 0.00 72.50 70.20 2klb s THR 112 CO 0.05 -0.21 0.19 0.00 -0.54 0.00 0.00 174.62 174.11 2klb h ALA 113 N 1.90 -0.18 -0.49 3.99 0.00 -1.70 -3.47 119.26 119.30 2klb h ALA 113 Ca -0.49 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.46 2klb h ALA 113 Cb 1.21 0.03 -0.18 0.00 0.00 0.00 0.00 17.79 18.84 2klb h ALA 113 CO 0.60 -0.18 -0.23 0.12 0.00 0.00 0.00 179.25 179.56 2klb s PHE 114 N -1.61 -0.85 -0.62 0.00 5.36 -1.26 -4.96 117.98 114.03 2klb s PHE 114 Ca -0.01 0.08 -0.21 0.00 -0.96 0.00 0.00 56.93 55.83 2klb s PHE 114 Cb 0.00 0.16 0.08 0.00 -0.34 0.00 0.00 43.02 42.92 2klb s PHE 114 CO 0.03 -0.58 0.86 -1.25 -1.46 0.00 0.00 175.22 172.82 2klb s PRO 115 N 1.82 3.10 -0.19 10.12 0.04 -1.26 -4.81 135.00 143.82 2klb s PRO 115 Ca 0.16 -0.97 -0.04 0.00 0.04 0.00 0.00 61.00 60.19 2klb s PRO 115 Cb 0.01 -4.23 0.08 0.00 0.04 0.00 0.00 34.50 30.41 2klb s PRO 115 CO -0.12 -1.68 0.19 0.00 0.04 0.00 0.00 177.00 175.43 2klb s ALA 116 N 3.54 -0.13 -0.71 8.56 0.00 -1.26 -5.10 121.76 126.67 2klb s ALA 116 Ca 0.19 0.17 -0.26 0.00 0.00 0.00 0.00 51.96 52.06 2klb s ALA 116 Cb -0.19 -1.23 -0.08 0.00 0.00 0.00 0.00 23.12 21.62 2klb s ALA 116 CO 0.09 -1.16 2.23 0.96 0.00 0.00 0.00 175.76 177.88 2klb s ILE 117 N 2.29 3.15 -0.36 0.00 -5.25 -1.26 -4.70 121.20 115.07 2klb s ILE 117 Ca 0.06 -0.05 0.14 0.00 -0.99 0.00 0.00 60.65 59.81 2klb s ILE 117 Cb -0.16 -3.37 -0.18 0.00 2.95 0.00 0.00 42.46 41.71 2klb s ILE 117 CO -0.11 -0.35 0.46 0.54 -1.79 0.00 0.00 174.94 173.69 2klb n ARG 118 N 8.94 1.56 -2.61 0.37 5.12 -1.26 -5.03 116.66 123.75 2klb n ARG 118 Ca 0.39 -0.06 -0.30 0.00 -1.93 0.00 0.00 57.85 55.95 2klb n ARG 118 Cb 0.48 -1.23 -0.02 0.00 -1.16 0.00 0.00 32.46 30.53 2klb n ARG 118 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 2klb s ILE 119 N -2.60 4.75 -0.15 0.55 1.10 -1.26 -5.01 121.20 118.57 2klb s ILE 119 Ca 0.01 0.70 -0.03 0.00 -0.51 0.00 0.00 60.65 60.82 2klb s ILE 119 Cb 0.10 -3.77 -0.24 0.00 0.15 0.00 0.00 42.46 38.70 2klb s ILE 119 CO 0.57 -0.68 0.23 2.29 -2.11 0.00 0.00 174.94 175.23 2klb n LYS 120 N -1.68 0.73 0.00 3.50 0.00 -1.26 -4.99 118.16 114.45 2klb n LYS 120 Ca 0.03 0.23 0.00 0.00 -0.00 0.00 0.00 58.31 58.57 2klb n LYS 120 Cb 0.54 -1.66 0.00 0.00 -0.00 0.00 0.00 35.03 33.91 2klb n LYS 120 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2klb n GLN 121 N -3.39 0.00 -2.68 -1.58 7.27 -1.26 -5.06 117.38 110.68 2klb n GLN 121 Ca -0.35 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.29 2klb n GLN 121 Cb 1.04 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.66 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 0.00 4.64 0.48 1.69 -4.23 -1.26 -4.54 115.64 112.41 2klb s THR 122 Ca 0.00 1.88 -0.23 0.00 -1.18 0.00 0.00 61.69 62.16 2klb s THR 122 Cb 0.00 -4.33 -0.07 0.00 1.34 0.00 0.00 72.50 69.44 2klb s THR 122 CO 0.00 -0.28 1.19 -2.16 -0.54 0.00 0.00 174.62 172.83 2klb s PRO 123 N 3.32 3.65 0.60 3.99 0.04 -1.26 -5.06 135.00 140.28 2klb s PRO 123 Ca 0.44 1.82 0.09 0.00 0.04 0.00 0.00 61.00 63.39 2klb s PRO 123 Cb -0.14 -2.36 0.10 0.00 0.04 0.00 0.00 34.50 32.14 2klb s PRO 123 CO 0.09 -0.66 0.83 0.95 0.04 0.00 0.00 177.00 178.26 2klb s THR 124 N -1.53 2.07 0.43 1.26 -4.23 -1.26 -4.98 115.64 107.40 2klb s THR 124 Ca 0.65 -0.96 0.09 0.00 -1.18 0.00 0.00 61.69 60.30 2klb s THR 124 Cb -0.30 -2.11 0.24 0.00 1.34 0.00 0.00 72.50 71.67 2klb s THR 124 CO 0.36 0.00 2.04 -0.08 -0.54 0.00 0.00 174.62 176.40 2klb h GLU 125 N 0.06 0.35 -0.68 3.99 4.81 -2.01 -1.63 114.58 119.47 2klb h GLU 125 Ca -0.29 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 58.97 2klb h GLU 125 Cb 1.29 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 2klb h GLU 125 CO 0.40 0.29 0.45 -0.91 -0.73 0.00 0.00 179.01 178.51 2klb h ASN 126 N 0.35 0.59 -0.75 1.04 4.21 -2.00 -1.14 115.58 117.88 2klb h ASN 126 Ca 0.09 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.57 2klb h ASN 126 Cb 0.07 -0.12 -0.04 0.00 -1.12 0.00 0.00 38.32 37.11 2klb h ASN 126 CO -0.01 0.38 0.34 0.74 -1.29 0.00 0.00 177.43 177.59 2klb h THR 127 N 0.67 1.25 -0.25 2.81 2.02 -1.67 0.16 112.91 117.89 2klb h THR 127 Ca 0.30 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.75 2klb h THR 127 Cb 0.30 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 2klb h THR 127 CO -0.10 0.30 0.16 1.88 0.37 0.00 0.00 175.52 178.14 2klb h TYR 128 N 1.10 0.32 -0.53 3.16 -1.99 -1.23 -0.34 116.97 117.46 2klb h TYR 128 Ca 0.26 0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.91 2klb h TYR 128 Cb 0.15 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 38.75 2klb h TYR 128 CO 0.01 0.21 -0.03 0.87 -0.00 0.00 0.00 178.16 179.23 2klb h LYS 129 N 0.34 0.92 0.18 4.88 1.57 -1.25 -1.63 116.57 121.58 2klb h LYS 129 Ca 0.09 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 2klb h LYS 129 Cb -0.03 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2klb h LYS 129 CO -0.02 0.93 -0.14 1.25 -0.57 0.00 0.00 179.45 180.90 2klb h LEU 130 N 0.84 -0.37 -0.87 2.94 6.46 -0.67 -2.37 115.31 121.28 2klb h LEU 130 Ca 0.15 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.94 2klb h LEU 130 Cb 0.54 0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.55 2klb h LEU 130 CO 0.03 -0.22 0.54 0.00 -0.62 0.00 0.00 178.44 178.16 2klb h GLU 132 N 1.19 0.52 0.07 0.00 4.81 -1.12 -0.51 114.58 119.55 2klb h GLU 132 Ca 0.31 -0.03 -0.24 0.00 -0.13 0.00 0.00 59.36 59.27 2klb h GLU 132 Cb -0.07 -0.12 0.02 0.00 0.63 0.00 0.00 28.75 29.21 2klb h GLU 132 CO -0.06 0.35 -0.99 0.93 -0.73 0.00 0.00 179.01 178.50 2klb h GLU 133 N 0.54 0.55 -0.15 1.92 4.39 -1.10 -3.24 114.58 117.48 2klb h GLU 133 Ca 0.29 -0.69 0.01 0.00 0.34 0.00 0.00 59.36 59.31 2klb h GLU 133 Cb 0.25 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 2klb h GLU 133 CO -0.22 1.29 0.07 0.00 -1.16 0.00 0.00 179.01 178.99 2klb h ALA 134 N 0.29 0.17 -0.27 3.43 0.00 -0.33 0.13 119.26 122.68 2klb h ALA 134 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2klb h ALA 134 Cb 1.69 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 2klb h ALA 134 CO 0.19 -0.36 0.18 0.78 0.00 0.00 0.00 179.25 180.04 2klb h GLY 135 N 0.16 0.38 0.99 0.00 0.00 -1.24 -0.98 103.07 102.38 2klb h GLY 135 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2klb h GLY 135 CO -0.04 0.14 0.26 -0.84 0.00 0.00 0.00 176.54 176.07 2klb h THR 136 N 0.36 1.12 -0.53 4.70 2.02 -1.55 -0.40 112.91 118.63 2klb h THR 136 Ca 0.10 -0.25 0.03 0.00 0.77 0.00 0.00 66.41 67.05 2klb h THR 136 Cb -0.03 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 66.89 2klb h THR 136 CO -0.02 0.12 0.32 -0.78 0.37 0.00 0.00 175.52 175.52 2klb h ASP 137 N 0.55 0.51 -0.47 4.18 3.58 -0.77 -2.06 116.42 121.95 2klb h ASP 137 Ca 0.15 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.54 2klb h ASP 137 Cb -0.03 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 2klb h ASP 137 CO -0.03 0.36 0.05 0.25 -2.88 0.00 0.00 179.24 176.99 2klb h LEU 138 N 0.63 0.76 -1.38 2.28 5.85 -1.00 -2.90 115.31 119.55 2klb h LEU 138 Ca 0.22 -0.28 0.12 0.00 0.84 0.00 0.00 57.88 58.78 2klb h LEU 138 Cb 0.03 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 2klb h LEU 138 CO -0.10 0.85 0.53 1.23 -0.34 0.00 0.00 178.44 180.61 2klb h GLY 139 N 0.65 1.02 0.79 3.75 0.00 -0.70 -0.74 103.07 107.84 2klb h GLY 139 Ca 0.14 -0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.23 2klb h GLY 139 CO 0.01 0.13 0.28 1.46 0.00 0.00 0.00 176.54 178.42 2klb h GLN 140 N 0.65 0.54 -0.06 4.80 4.20 -1.17 -2.66 115.11 121.40 2klb h GLN 140 Ca 0.39 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 59.06 2klb h GLN 140 Cb 0.60 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 2klb h GLN 140 CO -0.15 0.36 0.03 2.35 -0.67 0.00 0.00 178.83 180.74 2klb h TRP 141 N 0.55 0.09 0.15 2.96 7.01 -1.13 -2.29 115.95 123.30 2klb h TRP 141 Ca 0.22 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.23 2klb h TRP 141 Cb 0.09 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.08 2klb h TRP 141 CO -0.08 0.19 -0.37 0.28 -2.79 0.00 0.00 178.44 175.66 2klb h VAL 142 N -0.04 0.23 -0.67 2.65 2.07 -1.21 0.15 116.25 119.43 2klb h VAL 142 Ca 0.02 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.46 2klb h VAL 142 Cb 0.14 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 2klb h VAL 142 CO -0.00 0.00 0.11 0.00 0.02 0.00 0.00 177.57 177.70 2klb h THR 143 N -0.62 1.26 -0.03 2.57 1.03 -1.54 -1.51 112.91 114.07 2klb h THR 143 Ca 0.02 -1.03 -0.21 0.00 -0.01 0.00 0.00 66.41 65.18 2klb h THR 143 Cb 0.64 0.63 -0.00 0.00 -1.07 0.00 0.00 68.15 68.35 2klb h THR 143 CO -0.20 0.39 -0.86 -0.09 -0.01 0.00 0.00 175.52 174.75 2klb h ARG 144 N 1.03 0.40 -0.07 0.00 2.43 -1.16 -2.13 114.38 114.89 2klb h ARG 144 Ca 0.20 -0.39 -0.14 0.00 -0.81 0.00 0.00 59.98 58.84 2klb h ARG 144 Cb 0.44 0.10 0.01 0.00 -0.42 0.00 0.00 29.97 30.10 2klb h ARG 144 CO 0.01 1.05 -0.49 0.22 -1.51 0.00 0.00 179.97 179.26 2klb h ASP 145 N 0.25 0.55 -0.79 -3.80 1.82 -0.72 0.27 116.42 113.99 2klb h ASP 145 Ca -0.06 -0.68 0.04 0.00 -0.39 0.00 0.00 57.03 55.95 2klb h ASP 145 Cb 1.47 -0.16 -0.05 0.00 0.68 0.00 0.00 39.33 41.27 2klb h ASP 145 CO 0.15 1.14 0.50 -0.09 -1.61 0.00 0.00 179.24 179.32 2klb h ARG 146 N -0.01 0.92 0.11 0.28 2.43 -1.29 -3.20 114.38 113.64 2klb h ARG 146 Ca -0.04 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 2klb h ARG 146 Cb 1.15 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 2klb h ARG 146 CO 0.10 0.61 -0.05 1.25 -1.51 0.00 0.00 179.97 180.37 2klb h LEU 147 N 0.95 -0.13 -2.28 3.80 6.46 -1.45 -3.51 115.31 119.16 2klb h LEU 147 Ca 0.33 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.09 2klb h LEU 147 Cb 0.06 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 2klb h LEU 147 CO -0.13 0.35 -0.89 1.21 -0.62 0.00 0.00 178.44 178.35 2klb n GLU 148 N -4.84 -3.04 -0.14 1.25 0.00 0.95 -4.98 120.64 109.84 2klb n GLU 148 Ca -0.02 2.48 0.04 0.00 0.00 0.00 0.00 57.16 59.67 2klb n GLU 148 Cb 0.06 -4.60 0.12 0.00 0.00 0.00 0.00 31.44 27.02 2klb n GLU 148 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 2klb n HIS 149 N 0.70 0.36 -3.15 4.31 -0.00 -1.26 -4.90 115.22 111.27 2klb n HIS 149 Ca -0.05 -0.49 0.05 0.00 0.46 0.00 0.00 57.72 57.69 2klb n HIS 149 Cb 0.07 -0.03 -0.01 0.00 -0.12 0.00 0.00 29.99 29.90 2klb n HIS 149 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2klb s HIS 150 N -0.99 -0.85 -0.00 1.57 0.00 -1.26 -5.11 115.29 108.65 2klb s HIS 150 Ca 0.18 0.81 -0.06 0.00 -3.00 0.00 0.00 55.06 52.99 2klb s HIS 150 Cb 0.10 0.26 -0.04 0.00 -4.00 0.00 0.00 32.58 28.90 2klb s HIS 150 CO 0.13 -0.47 0.63 1.25 -1.00 0.00 0.00 174.74 175.27 2klb h HIS 151 N 7.90 -0.21 -2.97 0.38 2.76 -2.00 -3.49 115.15 117.51 2klb h HIS 151 Ca -0.14 -0.01 0.33 0.00 -2.20 0.00 0.00 60.37 58.35 2klb h HIS 151 Cb 1.17 0.07 -0.08 0.00 1.55 0.00 0.00 27.41 30.12 2klb h HIS 151 CO 0.06 -0.13 -0.43 0.72 -1.30 0.00 0.00 177.93 176.85 2klb n HIS 152 N -3.04 -3.37 0.00 5.26 8.25 -1.26 -4.79 115.22 116.28 2klb n HIS 152 Ca -0.03 1.50 0.00 0.00 -0.26 0.00 0.00 57.72 58.93 2klb n HIS 152 Cb 0.09 -2.74 0.00 0.00 1.12 0.00 0.00 29.99 28.46 2klb n HIS 152 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2klb n HIS 153 N -3.84 0.00 -1.89 4.41 -0.00 -1.26 -5.28 115.22 107.36 2klb n HIS 153 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 2klb n HIS 153 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.54 2klb n HIS 153 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92