#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 0.00-10.49 -3.16 0.44 2.08 -1.26 -2.07 119.36 104.89 2klb n ILE 2 Ca 0.00 2.85 -0.44 0.00 0.56 0.00 0.00 62.75 65.72 2klb n ILE 2 Cb 0.00 -4.64 -0.06 0.00 -0.75 0.00 0.00 39.64 34.19 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 -0.79 1.78 -0.49 7.39 0.00 0.52 -1.44 107.32 114.29 2klb s GLY 3 Ca 0.00 -1.79 -0.23 0.00 0.00 0.00 0.00 44.72 42.70 2klb s GLY 3 CO 0.00 1.46 0.82 0.14 0.00 0.00 0.00 173.10 175.53 2klb s VAL 4 N 2.59 4.58 0.12 1.40 1.01 0.04 -1.10 120.40 129.05 2klb s VAL 4 Ca 0.14 0.26 -0.18 0.00 0.00 0.00 0.00 61.98 62.20 2klb s VAL 4 Cb -0.20 -4.40 -0.07 0.00 0.00 0.00 0.00 36.38 31.71 2klb s VAL 4 CO 0.11 -0.87 0.60 -0.36 0.00 0.00 0.00 175.10 174.58 2klb s PHE 5 N 3.45 3.74 0.36 5.22 0.08 -0.07 -0.51 117.98 130.24 2klb s PHE 5 Ca 0.28 1.26 0.00 0.00 0.12 0.00 0.00 56.93 58.59 2klb s PHE 5 Cb -0.13 -2.50 -0.00 0.00 -0.57 0.00 0.00 43.02 39.82 2klb s PHE 5 CO 0.20 0.50 0.45 1.52 -0.10 0.00 0.00 175.22 177.80 2klb s TYR 6 N -1.27 1.25 -0.28 0.36 1.13 -0.77 -4.07 117.35 113.70 2klb s TYR 6 Ca 0.34 -1.41 -0.01 0.00 -1.41 0.00 0.00 57.07 54.58 2klb s TYR 6 Cb -0.18 -0.21 0.09 0.00 -1.10 0.00 0.00 41.96 40.56 2klb s TYR 6 CO 0.20 -1.12 0.06 0.08 -2.51 0.00 0.00 175.55 172.25 2klb s VAL 7 N -2.99 1.01 0.37 -3.49 1.01 -1.25 -2.13 120.40 112.92 2klb s VAL 7 Ca 0.33 -1.26 0.09 0.00 0.00 0.00 0.00 61.98 61.14 2klb s VAL 7 Cb -0.00 -1.63 0.32 0.00 0.00 0.00 0.00 36.38 35.07 2klb s VAL 7 CO 0.23 -0.48 1.90 0.28 0.00 0.00 0.00 175.10 177.03 2klb h SER 8 N 8.07 0.61 0.10 3.32 0.02 -1.91 -1.10 113.55 122.65 2klb h SER 8 Ca -0.14 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 60.86 2klb h SER 8 Cb 1.05 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.45 2klb h SER 8 CO 0.44 0.33 -0.28 -0.08 -1.14 0.00 0.00 176.83 176.10 2klb h GLU 9 N 0.66 -0.47 0.00 3.45 4.81 -1.95 -3.44 114.58 117.64 2klb h GLU 9 Ca 0.40 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 2klb h GLU 9 Cb 0.63 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2klb h GLU 9 CO -0.16 -0.31 -0.02 0.98 -0.73 0.00 0.00 179.01 178.76 2klb n TYR 10 N -5.39 -1.33 -0.75 0.92 9.36 -1.02 -5.06 117.16 113.88 2klb n TYR 10 Ca -0.06 0.24 -0.18 0.00 3.32 0.00 0.00 57.90 61.22 2klb n TYR 10 Cb 0.30 0.52 -0.09 0.00 -0.63 0.00 0.00 39.34 39.45 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 1.59 -0.25 0.00 2.98 0.00 -0.45 -4.74 105.19 104.33 2klb n GLY 11 Ca 0.00 0.41 0.04 0.00 0.00 0.00 0.00 46.02 46.46 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 4.53 0.00 0.14 1.61 4.01 -1.26 -3.75 117.16 122.43 2klb n TYR 12 Ca 0.33 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 58.14 2klb n TYR 12 Cb 0.03 0.00 0.33 0.00 -0.31 0.00 0.00 39.34 39.39 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 -0.71 0.31 -0.21 7.72 7.64 -1.26 -1.08 113.62 126.03 2klb n SER 13 Ca 0.06 0.54 0.04 0.00 1.01 0.00 0.00 58.87 60.52 2klb n SER 13 Cb 0.03 -0.51 0.30 0.00 -1.01 0.00 0.00 64.21 63.02 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 0.76 -0.16 6.43 2.03 -1.93 0.16 116.42 123.72 2klb h ASP 14 Ca 0.00 -0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.23 2klb h ASP 14 Cb 0.50 -0.17 -0.02 0.00 -0.83 0.00 0.00 39.33 38.82 2klb h ASP 14 CO 0.00 0.51 -0.09 0.03 -1.03 0.00 0.00 179.24 178.66 2klb h ARG 15 N 0.88 0.50 -0.11 4.15 3.08 -1.46 -1.16 114.38 120.26 2klb h ARG 15 Ca 0.31 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 2klb h ARG 15 Cb 0.12 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 2klb h ARG 15 CO -0.10 0.60 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.32 2klb h LEU 16 N 0.47 0.19 -0.88 3.04 3.38 -1.32 -2.91 115.31 117.28 2klb h LEU 16 Ca 0.09 -0.34 0.10 0.00 0.09 0.00 0.00 57.88 57.83 2klb h LEU 16 Cb 0.45 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.07 2klb h LEU 16 CO 0.02 0.48 0.52 0.00 0.09 0.00 0.00 178.44 179.55 2klb h ALA 17 N 0.71 1.28 -0.33 1.53 0.00 -0.41 0.34 119.26 122.39 2klb h ALA 17 Ca 0.03 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2klb h ALA 17 Cb 0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2klb h ALA 17 CO 0.01 0.13 0.14 0.37 0.00 0.00 0.00 179.25 179.89 2klb h GLN 18 N 0.84 0.48 -0.90 0.00 4.15 -1.24 0.22 115.11 118.66 2klb h GLN 18 Ca 0.43 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.75 2klb h GLN 18 Cb 0.41 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.98 2klb h GLN 18 CO -0.26 0.47 0.49 0.00 -1.93 0.00 0.00 178.83 177.61 2klb h ALA 19 N 0.98 1.16 0.43 3.38 0.00 -1.17 -1.61 119.26 122.42 2klb h ALA 19 Ca 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2klb h ALA 19 Cb 0.17 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2klb h ALA 19 CO -0.01 0.66 -0.21 0.82 0.00 0.00 0.00 179.25 180.52 2klb h ILE 20 N 1.26 0.55 -0.93 0.00 2.04 -0.68 -2.74 117.51 117.01 2klb h ILE 20 Ca 0.32 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 2klb h ILE 20 Cb 0.03 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 2klb h ILE 20 CO -0.05 0.05 0.57 -0.29 0.00 0.00 0.00 178.15 178.43 2klb h ILE 21 N -0.76 1.25 0.58 -0.67 2.10 -0.92 -0.85 117.51 118.24 2klb h ILE 21 Ca -0.06 -0.54 -0.02 0.00 1.08 0.00 0.00 64.86 65.32 2klb h ILE 21 Cb 0.53 -0.06 -0.02 0.00 -1.09 0.00 0.00 36.82 36.18 2klb h ILE 21 CO 0.10 0.26 -0.50 -1.13 -1.08 0.00 0.00 178.15 175.80 2klb h ASN 22 N 1.28 -1.35 -0.42 2.19 -0.73 -1.30 0.14 115.58 115.38 2klb h ASN 22 Ca 0.33 0.10 -0.02 0.00 1.87 0.00 0.00 56.30 58.59 2klb h ASN 22 Cb -0.06 0.43 -0.02 0.00 0.27 0.00 0.00 38.32 38.94 2klb h ASN 22 CO -0.06 -0.69 0.20 1.23 -0.37 0.00 0.00 177.43 177.74 2klb h GLY 23 N -1.06 0.65 1.98 1.57 0.00 -1.37 -3.01 103.07 101.83 2klb h GLY 23 Ca -0.07 -0.33 -0.14 0.00 0.00 0.00 0.00 47.33 46.79 2klb h GLY 23 CO -0.02 0.31 -0.65 -2.22 0.00 0.00 0.00 176.54 173.96 2klb h ILE 24 N 0.54 1.46 -0.21 2.60 2.04 -1.10 -0.18 117.51 122.67 2klb h ILE 24 Ca 0.14 -2.21 -0.13 0.00 1.00 0.00 0.00 64.86 63.66 2klb h ILE 24 Cb 0.12 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 2klb h ILE 24 CO -0.02 0.63 -0.43 0.00 0.00 0.00 0.00 178.15 178.34 2klb h THR 25 N 0.01 1.31 -0.06 -0.27 1.03 -0.70 -0.81 112.91 113.42 2klb h THR 25 Ca -0.01 -1.60 -0.17 0.00 -0.01 0.00 0.00 66.41 64.62 2klb h THR 25 Cb 1.15 1.61 0.01 0.00 -1.07 0.00 0.00 68.15 69.85 2klb h THR 25 CO 0.09 0.50 -0.64 0.11 -0.01 0.00 0.00 175.52 175.57 2klb h LYS 26 N 0.40 0.53 -0.45 0.00 1.57 -1.39 -3.23 116.57 114.00 2klb h LYS 26 Ca 0.03 -0.50 0.02 0.00 -1.87 0.00 0.00 60.65 58.34 2klb h LYS 26 Cb 0.91 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 2klb h LYS 26 CO 0.08 1.13 0.30 1.15 -0.57 0.00 0.00 179.45 181.54 2klb h THR 27 N 0.11 1.07 0.00 -0.16 2.02 -0.97 -3.47 112.91 111.52 2klb h THR 27 Ca -0.06 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.93 2klb h THR 27 Cb 1.30 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2klb h THR 27 CO 0.13 0.10 0.00 0.61 0.37 0.00 0.00 175.52 176.73 2klb n GLY 28 N -1.48 0.77 2.00 2.16 0.00 -0.37 -4.86 105.19 103.42 2klb n GLY 28 Ca 0.04 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2klb n GLY 28 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2klb n VAL 29 N 0.00 0.00 -0.42 1.61 0.31 -0.84 -4.95 118.33 114.04 2klb n VAL 29 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2klb n VAL 29 Cb 0.00 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 2klb n VAL 29 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2klb n GLY 30 N 1.49 -2.45 3.46 2.92 0.00 -1.23 -4.50 105.19 104.88 2klb n GLY 30 Ca 0.00 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 2klb n GLY 30 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2klb s VAL 31 N 0.00 2.74 -0.15 1.61 -7.23 -1.24 -1.17 120.40 114.96 2klb s VAL 31 Ca 0.00 -1.33 -0.04 0.00 -1.81 0.00 0.00 61.98 58.80 2klb s VAL 31 Cb 0.00 -2.19 -0.03 0.00 0.56 0.00 0.00 36.38 34.72 2klb s VAL 31 CO 0.00 0.25 -0.04 -1.81 -0.31 0.00 0.00 175.10 173.19 2klb s ASP 32 N -1.69 4.76 0.01 4.85 1.01 -0.52 -4.80 116.67 120.29 2klb s ASP 32 Ca 0.16 -0.14 -0.19 0.00 0.71 0.00 0.00 52.55 53.09 2klb s ASP 32 Cb -0.10 -1.77 -0.06 0.00 1.01 0.00 0.00 42.92 41.99 2klb s ASP 32 CO 0.07 0.17 0.54 0.68 0.21 0.00 0.00 175.17 176.84 2klb s VAL 33 N 0.35 4.90 -0.01 -1.27 -7.23 -1.26 -0.78 120.40 115.11 2klb s VAL 33 Ca -0.04 1.13 0.03 0.00 -1.81 0.00 0.00 61.98 61.28 2klb s VAL 33 Cb -0.14 -3.87 -0.01 0.00 0.56 0.00 0.00 36.38 32.92 2klb s VAL 33 CO 0.03 0.49 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.52 2klb s VAL 34 N -0.59 0.76 -0.16 1.32 1.01 0.33 -4.87 120.40 118.20 2klb s VAL 34 Ca 0.28 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 2klb s VAL 34 Cb -0.18 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 2klb s VAL 34 CO 0.16 0.20 -0.02 -0.62 0.00 0.00 0.00 175.10 174.82 2klb s ASP 35 N -0.27 4.98 -0.02 3.32 -1.08 -1.26 -1.86 116.67 120.48 2klb s ASP 35 Ca 0.03 -0.07 0.06 0.00 -0.52 0.00 0.00 52.55 52.05 2klb s ASP 35 Cb -0.04 -1.81 0.14 0.00 -1.46 0.00 0.00 42.92 39.76 2klb s ASP 35 CO -0.00 0.18 1.11 0.00 0.52 0.00 0.00 175.17 176.98 2klb n LEU 36 N 3.47 2.40 -0.07 -1.34 -0.00 -0.91 -3.75 117.00 116.80 2klb n LEU 36 Ca -0.17 -2.14 -0.14 0.00 -0.00 0.00 0.00 56.01 53.55 2klb n LEU 36 Cb 0.52 -0.13 -0.14 0.00 -0.00 0.00 0.00 43.42 43.67 2klb n LEU 36 CO 0.33 0.60 -1.03 0.61 -0.00 0.00 0.00 177.39 177.90 2klb n GLY 37 N -0.27 -0.71 0.00 1.47 0.00 -1.25 -4.36 105.19 100.08 2klb n GLY 37 Ca 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2klb n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2klb n ALA 38 N -2.92 1.46 1.36 4.61 0.00 -1.26 -4.75 120.51 119.01 2klb n ALA 38 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2klb n ALA 38 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.51 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 -1.32 2.25 -1.57 0.00 0.00 -1.26 -4.85 120.51 113.75 2klb n ALA 39 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 53.44 52.95 2klb n ALA 39 Cb 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.40 2klb n ALA 39 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2klb n VAL 40 N -0.35 0.37 -3.86 0.00 0.24 -1.25 -4.74 118.33 108.75 2klb n VAL 40 Ca 0.00 -0.24 -0.07 0.00 -2.04 0.00 0.00 64.34 61.99 2klb n VAL 40 Cb 0.05 -1.91 -0.02 0.00 -1.47 0.00 0.00 33.84 30.49 2klb n VAL 40 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2klb s ASP 41 N 6.22 -0.25 0.40 -1.34 2.15 -1.26 -5.04 116.67 117.55 2klb s ASP 41 Ca 1.01 -0.63 0.08 0.00 0.43 0.00 0.00 52.55 53.44 2klb s ASP 41 Cb -0.70 0.73 0.86 0.00 -0.30 0.00 0.00 42.92 43.51 2klb s ASP 41 CO 0.48 -1.36 2.00 -0.07 -0.17 0.00 0.00 175.17 176.05 2klb h LEU 42 N 2.00 0.52 0.59 -1.34 -0.00 -1.99 -2.27 115.31 112.82 2klb h LEU 42 Ca -0.20 -0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.65 2klb h LEU 42 Cb 1.25 -0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 41.79 2klb h LEU 42 CO 0.24 0.35 -0.34 1.56 -0.00 0.00 0.00 178.44 180.24 2klb h GLN 43 N 0.60 -0.84 -0.44 1.13 4.20 -1.96 0.15 115.11 117.95 2klb h GLN 43 Ca 0.24 0.06 0.08 0.00 0.06 0.00 0.00 58.65 59.10 2klb h GLN 43 Cb 0.21 0.19 -0.07 0.00 0.30 0.00 0.00 27.48 28.11 2klb h GLN 43 CO -0.07 -0.56 -0.02 0.93 -0.67 0.00 0.00 178.83 178.44 2klb h GLU 44 N -0.87 0.09 -0.56 1.46 4.39 -1.82 -0.16 114.58 117.11 2klb h GLU 44 Ca -0.08 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 2klb h GLU 44 Cb 0.69 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.29 2klb h GLU 44 CO 0.10 0.06 0.28 1.25 -1.16 0.00 0.00 179.01 179.53 2klb h LEU 45 N 0.09 0.71 -0.57 1.33 5.85 -1.39 -0.79 115.31 120.55 2klb h LEU 45 Ca 0.22 -0.12 -0.16 0.00 0.84 0.00 0.00 57.88 58.67 2klb h LEU 45 Cb 0.32 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2klb h LEU 45 CO -0.38 0.63 -0.59 -0.09 -0.34 0.00 0.00 178.44 177.67 2klb h ARG 46 N 0.75 0.41 0.00 1.25 2.43 -0.25 -2.68 114.38 116.30 2klb h ARG 46 Ca 0.19 -0.27 -0.11 0.00 -0.81 0.00 0.00 59.98 58.98 2klb h ARG 46 Cb 0.09 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 2klb h ARG 46 CO -0.03 0.88 -0.52 0.93 -1.51 0.00 0.00 179.97 179.72 2klb h GLU 47 N 0.31 0.00 -1.01 0.20 5.08 -0.90 -2.86 114.58 115.40 2klb h GLU 47 Ca -0.00 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2klb h GLU 47 Cb 1.11 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.30 2klb h GLU 47 CO 0.10 0.52 0.65 1.25 -1.00 0.00 0.00 179.01 180.54 2klb h LEU 48 N 0.00 1.06 -1.40 1.33 5.85 -0.80 0.09 115.31 121.43 2klb h LEU 48 Ca -0.01 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.81 2klb h LEU 48 Cb 1.00 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.76 2klb h LEU 48 CO 0.07 0.68 0.49 0.58 -0.34 0.00 0.00 178.44 179.93 2klb h VAL 49 N 1.20 0.95 -0.10 1.05 2.07 -1.35 0.26 116.25 120.34 2klb h VAL 49 Ca 0.43 -0.23 -0.23 0.00 0.82 0.00 0.00 66.70 67.48 2klb h VAL 49 Cb 0.13 0.21 0.01 0.00 -1.52 0.00 0.00 31.29 30.13 2klb h VAL 49 CO -0.16 0.12 -0.85 1.23 0.02 0.00 0.00 177.57 177.93 2klb h GLY 50 N 0.68 0.83 0.15 2.17 0.00 -1.22 -3.17 103.07 102.51 2klb h GLY 50 Ca 0.34 -1.27 0.00 0.00 0.00 0.00 0.00 47.33 46.41 2klb h GLY 50 CO -0.12 1.12 0.00 0.54 0.00 0.00 0.00 176.54 178.08 2klb n ARG 51 N -3.93 1.13 0.19 4.80 3.00 -0.12 -4.39 116.66 117.34 2klb n ARG 51 Ca -0.09 -0.19 0.06 0.00 -0.01 0.00 0.00 57.85 57.62 2klb n ARG 51 Cb 0.79 -1.22 0.34 0.00 0.00 0.00 0.00 32.46 32.36 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 0.40 -1.01 0.00 1.35 -1.86 -3.44 112.91 108.35 2klb h THR 53 Ca 0.00 -0.03 0.22 0.00 -0.55 0.00 0.00 66.41 66.05 2klb h THR 53 Cb 0.79 0.30 -0.33 0.00 -1.73 0.00 0.00 68.15 67.18 2klb h THR 53 CO 0.00 0.02 0.94 -0.83 -0.25 0.00 0.00 175.52 175.40 2klb s GLY 54 N -3.95 0.37 -0.07 5.82 0.00 -0.74 -4.24 107.32 104.51 2klb s GLY 54 Ca -0.06 3.52 -0.05 0.00 0.00 0.00 0.00 44.72 48.14 2klb s GLY 54 CO 0.81 1.83 0.18 0.48 0.00 0.00 0.00 173.10 176.40 2klb s LEU 55 N -0.15 0.93 -0.15 0.66 2.34 -0.73 -0.35 118.68 121.23 2klb s LEU 55 Ca 0.08 0.37 0.01 0.00 0.06 0.00 0.00 54.13 54.65 2klb s LEU 55 Cb -0.04 0.54 0.00 0.00 -0.56 0.00 0.00 46.19 46.13 2klb s LEU 55 CO -0.16 -0.11 -0.18 0.54 -1.06 0.00 0.00 176.35 175.38 2klb s VAL 56 N 0.71 2.37 -0.06 1.48 0.11 -0.26 -1.15 120.40 123.61 2klb s VAL 56 Ca -0.05 -0.87 0.03 0.00 -2.93 0.00 0.00 61.98 58.16 2klb s VAL 56 Cb -0.07 -1.98 -0.03 0.00 -1.53 0.00 0.00 36.38 32.78 2klb s VAL 56 CO -0.04 0.53 -0.12 -0.63 -3.33 0.00 0.00 175.10 171.51 2klb s ILE 57 N 0.84 3.23 -0.15 7.04 1.09 0.22 -0.89 121.20 132.57 2klb s ILE 57 Ca -0.06 -0.66 -0.05 0.00 -1.10 0.00 0.00 60.65 58.79 2klb s ILE 57 Cb -0.15 -2.28 -0.03 0.00 -1.06 0.00 0.00 42.46 38.93 2klb s ILE 57 CO -0.01 0.59 -0.00 -0.83 -0.10 0.00 0.00 174.94 174.59 2klb s GLY 58 N -0.71 1.80 -0.20 6.18 0.00 -1.26 -2.26 107.32 110.87 2klb s GLY 58 Ca 0.11 -0.79 -0.29 0.00 0.00 0.00 0.00 44.72 43.75 2klb s GLY 58 CO 0.01 -0.09 1.13 -0.29 0.00 0.00 0.00 173.10 173.85 2klb s MET 59 N 0.20 4.26 0.43 2.90 1.75 -0.23 -4.91 119.30 123.69 2klb s MET 59 Ca 0.00 1.48 0.07 0.00 -1.25 0.00 0.00 55.69 56.00 2klb s MET 59 Cb -0.13 -3.68 -0.03 0.00 2.84 0.00 0.00 34.83 33.82 2klb s MET 59 CO 0.02 -0.65 0.25 -1.54 -0.65 0.00 0.00 175.02 172.45 2klb s SER 60 N 1.50 4.60 1.09 1.11 1.04 -1.26 -3.39 113.70 118.40 2klb s SER 60 Ca 0.49 -1.02 -0.12 0.00 0.48 0.00 0.00 55.95 55.77 2klb s SER 60 Cb -0.18 -0.38 0.24 0.00 0.10 0.00 0.00 66.02 65.80 2klb s SER 60 CO 0.10 -0.64 1.06 -2.16 0.98 0.00 0.00 173.24 172.57 2klb s PRO 61 N -4.00 -0.36 0.65 4.02 0.04 -1.26 -3.62 135.00 130.46 2klb s PRO 61 Ca 0.41 0.85 0.37 0.00 0.04 0.00 0.00 61.00 62.68 2klb s PRO 61 Cb 0.01 -1.62 2.08 0.00 0.04 0.00 0.00 34.50 35.02 2klb s PRO 61 CO 0.23 -3.35 2.23 0.00 0.04 0.00 0.00 177.00 176.15 2klb h ALA 62 N -2.36 1.26 0.12 8.56 0.00 -0.73 -0.60 119.26 125.51 2klb h ALA 62 Ca -0.58 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.34 2klb h ALA 62 Cb 1.32 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 2klb h ALA 62 CO 0.51 -0.11 -0.48 0.00 0.00 0.00 0.00 179.25 179.17 2klb h ALA 63 N 1.84 -0.96 0.08 0.00 0.00 -1.90 -1.00 119.26 117.31 2klb h ALA 63 Ca 0.01 -0.10 -0.25 0.00 0.00 0.00 0.00 54.91 54.57 2klb h ALA 63 Cb 0.20 0.86 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2klb h ALA 63 CO -0.00 -1.08 -1.18 0.77 0.00 0.00 0.00 179.25 177.76 2klb h SER 64 N -0.69 0.25 -0.89 0.00 0.02 -1.78 -3.35 113.55 107.11 2klb h SER 64 Ca -0.01 -0.28 0.12 0.00 -0.84 0.00 0.00 61.79 60.79 2klb h SER 64 Cb 0.69 -0.08 -0.07 0.00 0.14 0.00 0.00 62.40 63.08 2klb h SER 64 CO -0.26 1.22 0.57 0.00 -1.14 0.00 0.00 176.83 177.23 2klb h ALA 65 N 0.74 1.75 -0.97 3.77 0.00 -1.01 0.55 119.26 124.10 2klb h ALA 65 Ca -0.10 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.89 2klb h ALA 65 Cb 1.90 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 19.47 2klb h ALA 65 CO 0.17 0.03 0.63 0.00 0.00 0.00 0.00 179.25 180.08 2klb h ALA 66 N 1.58 1.45 -0.41 0.00 0.00 -1.32 0.13 119.26 120.69 2klb h ALA 66 Ca 0.43 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.19 2klb h ALA 66 Cb 0.59 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2klb h ALA 66 CO -0.20 0.40 -0.26 1.03 0.00 0.00 0.00 179.25 180.22 2klb h SER 67 N 1.12 0.94 -0.57 0.00 0.87 -1.12 -2.76 113.55 112.02 2klb h SER 67 Ca 0.42 -0.43 0.02 0.00 -1.23 0.00 0.00 61.79 60.57 2klb h SER 67 Cb 0.20 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 2klb h SER 67 CO -0.17 1.16 0.36 0.40 -0.53 0.00 0.00 176.83 178.06 2klb h ILE 68 N 0.72 1.11 -0.99 2.23 2.04 -0.40 -1.75 117.51 120.46 2klb h ILE 68 Ca 0.08 -0.25 0.06 0.00 1.00 0.00 0.00 64.86 65.75 2klb h ILE 68 Cb 0.84 0.31 -0.07 0.00 -0.74 0.00 0.00 36.82 37.17 2klb h ILE 68 CO 0.07 0.13 0.64 1.56 0.00 0.00 0.00 178.15 180.56 2klb h GLN 69 N 0.73 1.14 -0.07 2.37 1.08 -0.73 0.17 115.11 119.79 2klb h GLN 69 Ca 0.22 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.35 2klb h GLN 69 Cb -0.04 -0.26 -0.00 0.00 -0.05 0.00 0.00 27.48 27.13 2klb h GLN 69 CO -0.07 0.75 0.03 0.78 -0.95 0.00 0.00 178.83 179.37 2klb h GLY 70 N 1.17 0.11 2.00 3.46 0.00 -1.11 -3.06 103.07 105.65 2klb h GLY 70 Ca 0.42 -0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.61 2klb h GLY 70 CO -0.17 0.05 -0.41 0.00 0.00 0.00 0.00 176.54 176.01 2klb h ALA 71 N 0.87 1.26 -0.78 3.60 0.00 -1.01 -2.98 119.26 120.21 2klb h ALA 71 Ca 0.02 -0.38 0.20 0.00 0.00 0.00 0.00 54.91 54.75 2klb h ALA 71 Cb 0.16 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2klb h ALA 71 CO -0.00 0.52 0.54 1.25 0.00 0.00 0.00 179.25 181.56 2klb h LEU 72 N 0.00 0.18 -0.97 0.00 7.12 -0.57 -1.33 115.31 119.75 2klb h LEU 72 Ca -0.00 0.02 0.27 0.00 0.13 0.00 0.00 57.88 58.29 2klb h LEU 72 Cb 0.76 -0.02 -0.13 0.00 -0.53 0.00 0.00 40.66 40.74 2klb h LEU 72 CO 0.05 0.08 0.51 0.28 -0.13 0.00 0.00 178.44 179.23 2klb h SER 73 N 0.19 0.48 0.07 1.25 0.02 -1.58 -0.44 113.55 113.54 2klb h SER 73 Ca 0.38 0.17 -0.26 0.00 -0.84 0.00 0.00 61.79 61.24 2klb h SER 73 Cb 1.23 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.87 2klb h SER 73 CO -0.07 -0.03 -1.40 0.74 -1.14 0.00 0.00 176.83 174.93 2klb h THR 74 N 0.42 0.96 -0.34 -2.27 2.02 -1.49 -3.39 112.91 108.82 2klb h THR 74 Ca 0.65 -2.32 0.07 0.00 0.77 0.00 0.00 66.41 65.59 2klb h THR 74 Cb 1.33 2.56 -0.08 0.00 -1.74 0.00 0.00 68.15 70.22 2klb h THR 74 CO -0.55 0.61 -0.17 0.40 0.37 0.00 0.00 175.52 176.18 2klb h ILE 75 N -0.49 0.48 -0.65 3.11 2.04 -0.99 0.92 117.51 121.94 2klb h ILE 75 Ca -0.32 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.64 2klb h ILE 75 Cb 1.63 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 38.15 2klb h ILE 75 CO -0.02 0.00 0.43 0.25 0.00 0.00 0.00 178.15 178.81 2klb h LEU 76 N -0.12 0.39 0.00 1.44 5.85 -1.32 -0.62 115.31 120.92 2klb h LEU 76 Ca 0.17 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2klb h LEU 76 Cb 0.39 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.35 2klb h LEU 76 CO -0.42 0.23 -0.82 1.23 -0.34 0.00 0.00 178.44 178.32 2klb h GLY 77 N 0.43 0.00 1.23 3.75 0.00 -1.41 -3.35 103.07 103.72 2klb h GLY 77 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2klb h GLY 77 CO -0.09 0.00 -0.63 1.48 0.00 0.00 0.00 176.54 177.30 2klb h SER 78 N 0.00 0.00 -3.82 0.19 4.64 0.67 -3.47 113.55 111.75 2klb h SER 78 Ca 0.00 -0.14 -0.49 0.00 -0.47 0.00 0.00 61.79 60.69 2klb h SER 78 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2klb h SER 78 CO 0.00 0.07 0.18 0.68 -0.87 0.00 0.00 176.83 176.89 2klb s VAL 79 N -3.21 4.70 0.27 0.95 -7.23 -0.79 -5.02 120.40 110.07 2klb s VAL 79 Ca 0.05 0.82 -0.15 0.00 -1.81 0.00 0.00 61.98 60.89 2klb s VAL 79 Cb 0.12 -3.71 -0.08 0.00 0.56 0.00 0.00 36.38 33.27 2klb s VAL 79 CO 0.73 -0.51 0.68 0.21 -0.31 0.00 0.00 175.10 175.90 2klb s ASN 80 N -3.00 6.80 0.37 4.85 3.84 -1.26 -4.98 114.94 121.56 2klb s ASN 80 Ca 0.54 1.22 0.10 0.00 0.21 0.00 0.00 52.86 54.92 2klb s ASN 80 Cb -0.10 -2.34 0.86 0.00 -0.55 0.00 0.00 41.25 39.11 2klb s ASN 80 CO 0.29 -0.11 1.90 -0.08 -2.79 0.00 0.00 177.10 176.30 2klb h GLU 81 N 2.62 0.62 -3.34 0.43 4.81 -1.96 -3.21 114.58 114.54 2klb h GLU 81 Ca -0.48 -0.04 -0.65 0.00 -0.13 0.00 0.00 59.36 58.07 2klb h GLU 81 Cb 1.18 -0.14 -0.40 0.00 0.63 0.00 0.00 28.75 30.02 2klb h GLU 81 CO 0.66 0.41 -0.54 -1.59 -0.73 0.00 0.00 179.01 177.22 2klb s LYS 82 N -5.61 2.27 0.33 1.92 -2.85 -1.26 -3.28 119.74 111.26 2klb s LYS 82 Ca -0.09 -2.83 0.03 0.00 -1.00 0.00 0.00 55.97 52.08 2klb s LYS 82 Cb 0.21 -3.45 -0.05 0.00 -2.06 0.00 0.00 37.83 32.48 2klb s LYS 82 CO 0.78 -1.17 0.10 -1.14 0.10 0.00 0.00 175.35 174.02 2klb s GLN 83 N -0.61 1.66 -0.21 1.78 2.00 -1.22 -5.03 119.66 118.04 2klb s GLN 83 Ca 0.19 -1.95 -0.06 0.00 -2.00 0.00 0.00 55.36 51.55 2klb s GLN 83 Cb -0.19 -0.53 -0.03 0.00 0.80 0.00 0.00 33.01 33.07 2klb s GLN 83 CO -0.05 -0.33 0.02 0.00 -0.50 0.00 0.00 175.29 174.42 2klb s ALA 84 N -3.44 3.06 0.33 1.58 0.00 -1.26 -2.20 121.76 119.83 2klb s ALA 84 Ca 0.33 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 51.31 2klb s ALA 84 Cb 0.06 -1.84 -0.05 0.00 0.00 0.00 0.00 23.12 21.29 2klb s ALA 84 CO 0.15 -0.22 0.08 0.14 0.00 0.00 0.00 175.76 175.92 2klb s VAL 85 N 1.12 0.91 -0.01 0.00 -7.23 0.10 -1.77 120.40 113.51 2klb s VAL 85 Ca 0.03 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.17 2klb s VAL 85 Cb -0.14 -2.66 0.00 0.00 0.56 0.00 0.00 36.38 34.14 2klb s VAL 85 CO 0.02 0.00 0.07 -0.83 -0.31 0.00 0.00 175.10 174.05 2klb s GLY 86 N -3.47 0.03 -0.10 2.32 0.00 -0.30 -3.53 107.32 102.26 2klb s GLY 86 Ca 0.34 -0.02 0.02 0.00 0.00 0.00 0.00 44.72 45.06 2klb s GLY 86 CO 0.15 -0.09 -0.16 -0.42 0.00 0.00 0.00 173.10 172.58 2klb s ILE 87 N -0.60 1.52 0.21 0.90 -1.09 -1.02 -0.61 121.20 120.50 2klb s ILE 87 Ca -0.07 -0.67 -0.10 0.00 -2.23 0.00 0.00 60.65 57.58 2klb s ILE 87 Cb -0.04 -1.38 -0.01 0.00 -1.58 0.00 0.00 42.46 39.45 2klb s ILE 87 CO 0.00 0.44 0.37 0.72 -1.23 0.00 0.00 174.94 175.24 2klb s PHE 88 N 0.86 0.46 0.18 3.97 -0.71 -0.96 -3.13 117.98 118.65 2klb s PHE 88 Ca -0.09 -0.80 0.07 0.00 -1.04 0.00 0.00 56.93 55.06 2klb s PHE 88 Cb -0.15 0.01 -0.04 0.00 -1.21 0.00 0.00 43.02 41.63 2klb s PHE 88 CO 0.00 -0.85 0.04 -1.83 -1.34 0.00 0.00 175.22 171.25 2klb s GLU 89 N -4.01 2.54 0.00 1.99 1.03 -1.26 -1.07 118.70 117.91 2klb s GLU 89 Ca 0.22 -1.07 0.00 0.00 0.03 0.00 0.00 54.97 54.15 2klb s GLU 89 Cb 0.02 -2.42 0.00 0.00 -0.80 0.00 0.00 34.13 30.93 2klb s GLU 89 CO 0.06 0.45 0.25 -2.37 -1.33 0.00 0.00 175.26 172.32 2klb n THR 90 N -0.28 0.06 -3.18 1.83 5.66 -1.22 -4.84 114.28 112.31 2klb n THR 90 Ca -0.09 -0.17 0.00 0.00 -3.05 0.00 0.00 64.05 60.74 2klb n THR 90 Cb 0.55 1.53 0.00 0.00 -1.55 0.00 0.00 70.33 70.86 2klb n THR 90 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2klb n GLY 91 N -0.03 1.17 0.31 1.09 0.00 -1.26 -4.51 105.19 101.96 2klb n GLY 91 Ca 0.00 -0.75 0.13 0.00 0.00 0.00 0.00 46.02 45.39 2klb n GLY 91 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2klb h GLY 92 N 0.00 0.00 -0.32 -0.02 0.00 -1.64 -3.45 103.07 97.64 2klb h GLY 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2klb h GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2klb n GLY 93 N -1.56 -2.61 3.15 4.60 0.00 -1.26 -4.90 105.19 102.61 2klb n GLY 93 Ca 0.01 -0.97 0.04 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.51 -1.39 -0.07 1.61 2.15 -1.24 -4.91 116.67 112.31 2klb s ASP 94 Ca 0.00 0.83 -0.30 0.00 0.43 0.00 0.00 52.55 53.51 2klb s ASP 94 Cb 0.00 2.15 0.11 0.00 -0.30 0.00 0.00 42.92 44.88 2klb s ASP 94 CO 0.00 -0.26 0.95 -0.62 -0.17 0.00 0.00 175.17 175.07 2klb s ASP 95 N 2.86 -0.35 -0.14 -0.34 2.15 -1.26 0.08 116.67 119.67 2klb s ASP 95 Ca 0.20 0.14 -0.11 0.00 0.43 0.00 0.00 52.55 53.20 2klb s ASP 95 Cb -0.15 0.34 -0.04 0.00 -0.30 0.00 0.00 42.92 42.78 2klb s ASP 95 CO -0.21 -0.50 -0.22 -0.62 -0.17 0.00 0.00 175.17 173.45 2klb n GLU 96 N 0.09 0.43 -0.00 4.34 4.71 -1.26 -4.51 120.64 124.44 2klb n GLU 96 Ca -0.08 0.37 0.00 0.00 -0.01 0.00 0.00 57.16 57.44 2klb n GLU 96 Cb 0.60 -1.48 0.00 0.00 -1.01 0.00 0.00 31.44 29.55 2klb n GLU 96 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 2klb n PRO 97 N -4.31 1.00 -0.05 3.49 -0.02 -1.26 -4.40 135.00 129.46 2klb n PRO 97 Ca -0.09 -0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.25 2klb n PRO 97 Cb 0.33 -1.32 -0.09 0.00 -0.02 0.00 0.00 33.50 32.40 2klb n PRO 97 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2klb h ILE 98 N 0.01 0.02 0.08 4.25 2.10 -2.00 0.17 117.51 122.14 2klb h ILE 98 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.94 2klb h ILE 98 Cb 0.32 0.02 0.00 0.00 -1.09 0.00 0.00 36.82 36.07 2klb h ILE 98 CO 0.00 0.00 -0.04 0.44 -1.08 0.00 0.00 178.15 177.47 2klb h ASP 99 N -0.51 -0.09 -0.97 2.19 5.19 -1.93 -2.31 116.42 117.98 2klb h ASP 99 Ca 0.06 -0.17 0.26 0.00 -0.62 0.00 0.00 57.03 56.56 2klb h ASP 99 Cb 0.65 0.02 -0.13 0.00 0.18 0.00 0.00 39.33 40.05 2klb h ASP 99 CO -0.49 0.12 0.53 -0.65 -3.12 0.00 0.00 179.24 175.63 2klb h PRO 100 N -0.30 0.44 0.81 3.56 0.11 -1.82 0.25 132.00 135.05 2klb h PRO 100 Ca -0.01 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.03 2klb h PRO 100 Cb 0.26 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.27 2klb h PRO 100 CO 0.02 0.29 -0.39 -0.07 -0.21 0.00 0.00 178.00 177.64 2klb h LEU 101 N 0.46 -0.92 -1.42 2.35 4.07 -0.80 -2.82 115.31 116.22 2klb h LEU 101 Ca 0.65 0.03 0.15 0.00 0.08 0.00 0.00 57.88 58.79 2klb h LEU 101 Cb 1.30 0.24 -0.06 0.00 1.08 0.00 0.00 40.66 43.22 2klb h LEU 101 CO -0.53 -0.56 0.55 -0.07 -1.08 0.00 0.00 178.44 176.75 2klb h LEU 102 N -1.28 0.53 -0.47 1.67 3.38 -0.88 -1.09 115.31 117.17 2klb h LEU 102 Ca -0.11 0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.93 2klb h LEU 102 Cb 0.84 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 2klb h LEU 102 CO 0.18 0.26 0.24 -1.28 0.09 0.00 0.00 178.44 177.94 2klb h SER 103 N 0.55 0.36 -0.27 -0.43 0.87 -0.49 -0.89 113.55 113.24 2klb h SER 103 Ca 0.42 0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.84 2klb h SER 103 Cb 0.82 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.73 2klb h SER 103 CO -0.17 0.25 -0.47 0.50 -0.53 0.00 0.00 176.83 176.42 2klb h LYS 104 N 0.48 0.80 -0.56 2.24 1.63 -0.95 0.23 116.57 120.44 2klb h LYS 104 Ca 0.20 -0.50 0.00 0.00 -0.85 0.00 0.00 60.65 59.50 2klb h LYS 104 Cb 0.09 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.75 2klb h LYS 104 CO -0.13 1.13 0.35 0.74 -3.45 0.00 0.00 179.45 178.09 2klb h PHE 105 N 0.56 0.72 0.03 1.91 0.04 -1.23 0.48 116.94 119.45 2klb h PHE 105 Ca 0.02 0.01 -0.22 0.00 2.80 0.00 0.00 57.97 60.58 2klb h PHE 105 Cb 1.07 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.96 2klb h PHE 105 CO 0.08 0.47 -1.04 -0.09 -0.60 0.00 0.00 178.31 177.12 2klb h ARG 106 N 0.77 0.08 -0.85 1.51 9.65 -1.01 -1.51 114.38 123.02 2klb h ARG 106 Ca 0.20 -0.13 0.02 0.00 -1.10 0.00 0.00 59.98 58.97 2klb h ARG 106 Cb -0.06 0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.52 2klb h ARG 106 CO -0.04 1.04 0.56 -0.97 2.80 0.00 0.00 179.97 183.36 2klb h ASN 107 N 0.02 0.95 0.16 -3.80 -0.73 0.21 -2.84 115.58 109.56 2klb h ASN 107 Ca -0.04 -0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.10 2klb h ASN 107 Cb 1.78 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 40.14 2klb h ASN 107 CO 0.15 0.68 -0.08 -0.07 -0.37 0.00 0.00 177.43 177.74 2klb h LEU 108 N 1.12 -0.18 0.00 0.34 3.38 -0.88 -3.49 115.31 115.59 2klb h LEU 108 Ca 0.32 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2klb h LEU 108 Cb -0.09 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2klb h LEU 108 CO -0.08 0.24 0.00 0.61 0.09 0.00 0.00 178.44 179.31 2klb n GLY 109 N 0.01 1.38 3.75 0.83 0.00 -0.62 -4.72 105.19 105.82 2klb n GLY 109 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 4.50 -0.07 0.99 1.02 -0.87 -4.49 118.68 119.76 2klb s LEU 110 Ca 0.00 1.58 -0.30 0.00 0.02 0.00 0.00 54.13 55.43 2klb s LEU 110 Cb 0.00 -3.32 -0.02 0.00 0.02 0.00 0.00 46.19 42.86 2klb s LEU 110 CO 0.00 0.05 1.10 0.28 0.02 0.00 0.00 176.35 177.80 2klb s THR 111 N -0.36 4.53 -1.28 5.49 -1.32 -0.94 -4.74 115.64 117.01 2klb s THR 111 Ca 0.39 1.82 0.23 0.00 -1.21 0.00 0.00 61.69 62.92 2klb s THR 111 Cb -0.22 -4.17 -0.10 0.00 -1.51 0.00 0.00 72.50 66.50 2klb s THR 111 CO 0.25 0.01 1.09 0.35 -2.21 0.00 0.00 174.62 174.12 2klb n THR 112 N 4.52 0.00 -3.21 5.08 -2.24 -1.26 -0.72 114.28 116.46 2klb n THR 112 Ca 0.10 -0.07 -0.22 0.00 -2.27 0.00 0.00 64.05 61.59 2klb n THR 112 Cb 0.48 0.87 0.02 0.00 -2.10 0.00 0.00 70.33 69.60 2klb n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2klb n ALA 113 N -1.11 -2.66 -2.13 6.98 0.00 -1.23 -2.45 120.51 117.91 2klb n ALA 113 Ca 0.06 0.66 -0.01 0.00 0.00 0.00 0.00 53.44 54.15 2klb n ALA 113 Cb 0.36 -2.82 -0.01 0.00 0.00 0.00 0.00 19.45 16.99 2klb n ALA 113 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2klb n PHE 114 N -0.47 -3.65 -1.66 0.00 3.72 -1.26 -4.11 117.46 110.02 2klb n PHE 114 Ca -0.00 2.16 -0.39 0.00 -0.05 0.00 0.00 57.45 59.17 2klb n PHE 114 Cb 0.58 -3.41 -0.04 0.00 -0.94 0.00 0.00 39.48 35.66 2klb n PHE 114 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2klb n PRO 115 N 1.38 1.90 -2.31 -1.08 -0.04 -1.26 -4.17 135.00 129.42 2klb n PRO 115 Ca -0.10 -2.30 -0.43 0.00 -0.04 0.00 0.00 63.50 60.63 2klb n PRO 115 Cb 0.16 -3.28 -0.02 0.00 -0.04 0.00 0.00 33.50 30.32 2klb n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2klb s ALA 116 N 6.48 3.30 -0.51 0.55 0.00 -1.18 -4.91 121.76 125.48 2klb s ALA 116 Ca 0.59 0.19 0.07 0.00 0.00 0.00 0.00 51.96 52.81 2klb s ALA 116 Cb 0.09 -3.82 0.19 0.00 0.00 0.00 0.00 23.12 19.58 2klb s ALA 116 CO 0.09 -1.90 0.71 -1.50 0.00 0.00 0.00 175.76 173.16 2klb s ILE 117 N 4.76 -0.94 -0.37 0.00 2.07 -1.26 -3.99 121.20 121.48 2klb s ILE 117 Ca 0.62 -1.05 0.03 0.00 -1.41 0.00 0.00 60.65 58.83 2klb s ILE 117 Cb -0.19 -0.06 0.15 0.00 0.13 0.00 0.00 42.46 42.49 2klb s ILE 117 CO 0.26 -0.06 0.35 0.00 -1.91 0.00 0.00 174.94 173.58 2klb s ARG 118 N 0.86 0.62 -0.02 3.50 1.70 -1.26 -5.13 118.95 119.22 2klb s ARG 118 Ca 0.30 -0.91 -0.14 0.00 -0.47 0.00 0.00 55.73 54.50 2klb s ARG 118 Cb 0.00 -0.81 0.02 0.00 -0.57 0.00 0.00 34.95 33.60 2klb s ARG 118 CO -0.06 -1.19 0.31 0.96 -1.08 0.00 0.00 175.30 174.24 2klb s ILE 119 N 1.40 0.05 -0.13 4.99 -5.25 -1.26 -4.98 121.20 116.02 2klb s ILE 119 Ca 0.17 -0.45 0.18 0.00 -0.99 0.00 0.00 60.65 59.56 2klb s ILE 119 Cb -0.16 -0.60 -0.14 0.00 2.95 0.00 0.00 42.46 44.50 2klb s ILE 119 CO -0.04 -0.25 0.78 2.29 -1.79 0.00 0.00 174.94 175.94 2klb n LYS 120 N 1.38 0.63 0.00 0.37 2.85 -1.26 -4.95 118.16 117.18 2klb n LYS 120 Ca -0.21 0.18 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 2klb n LYS 120 Cb 0.56 -1.78 0.00 0.00 -0.65 0.00 0.00 35.03 33.16 2klb n LYS 120 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 2klb n GLN 121 N -2.83 0.00 -4.69 -1.58 7.27 -1.26 -4.89 117.38 109.40 2klb n GLN 121 Ca -0.10 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 56.74 2klb n GLN 121 Cb 0.82 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 33.32 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 1.17 0.75 1.69 -4.23 -1.26 -1.60 115.64 112.15 2klb s THR 122 Ca 0.00 -0.64 -0.10 0.00 -1.18 0.00 0.00 61.69 59.78 2klb s THR 122 Cb 0.00 -0.97 0.06 0.00 1.34 0.00 0.00 72.50 72.93 2klb s THR 122 CO 0.00 0.33 1.10 -2.16 -0.54 0.00 0.00 174.62 173.35 2klb s PRO 123 N -0.36 2.19 0.26 3.99 0.04 -1.26 -5.01 135.00 134.84 2klb s PRO 123 Ca 0.06 0.01 0.08 0.00 0.04 0.00 0.00 61.00 61.19 2klb s PRO 123 Cb -0.06 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 2klb s PRO 123 CO -0.01 -1.37 0.15 0.99 0.04 0.00 0.00 177.00 176.81 2klb s THR 124 N -3.41 4.22 0.44 1.26 2.01 -1.26 -5.02 115.64 113.88 2klb s THR 124 Ca 0.61 -1.52 0.29 0.00 0.31 0.00 0.00 61.69 61.38 2klb s THR 124 Cb -0.11 -3.28 0.48 0.00 0.01 0.00 0.00 72.50 69.61 2klb s THR 124 CO 0.48 -0.35 1.65 1.05 -0.69 0.00 0.00 174.62 176.76 2klb h GLU 125 N 1.58 0.13 0.00 4.92 4.11 -2.02 0.34 114.58 123.63 2klb h GLU 125 Ca -0.48 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 58.94 2klb h GLU 125 Cb 1.24 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 2klb h GLU 125 CO 0.61 0.08 -0.04 -0.91 0.07 0.00 0.00 179.01 178.82 2klb h ASN 126 N 0.13 0.00 -0.99 3.06 2.35 -2.01 0.10 115.58 118.23 2klb h ASN 126 Ca 0.77 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 56.58 2klb h ASN 126 Cb 2.42 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 40.73 2klb h ASN 126 CO -0.36 0.04 0.64 0.74 -1.65 0.00 0.00 177.43 176.84 2klb h THR 127 N 0.00 1.13 -0.20 2.81 2.02 -1.32 -1.37 112.91 115.98 2klb h THR 127 Ca -0.00 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 2klb h THR 127 Cb 0.15 -0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.37 2klb h THR 127 CO 0.00 0.22 0.11 1.88 0.37 0.00 0.00 175.52 178.10 2klb h TYR 128 N 1.20 0.26 -0.26 3.16 -1.99 -0.95 -1.99 116.97 116.40 2klb h TYR 128 Ca 0.41 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 61.00 2klb h TYR 128 Cb 0.09 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 38.73 2klb h TYR 128 CO -0.00 0.18 -0.41 0.87 -0.00 0.00 0.00 178.16 178.80 2klb h LYS 129 N 0.27 0.62 0.26 4.88 1.57 -1.25 0.51 116.57 123.43 2klb h LYS 129 Ca 0.07 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 2klb h LYS 129 Cb 0.01 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2klb h LYS 129 CO -0.01 0.92 -0.12 1.25 -0.57 0.00 0.00 179.45 180.92 2klb h LEU 130 N 0.51 -0.29 -1.73 2.94 7.12 -1.07 -2.24 115.31 120.55 2klb h LEU 130 Ca 0.04 -0.19 0.04 0.00 0.13 0.00 0.00 57.88 57.90 2klb h LEU 130 Cb 0.93 0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 41.12 2klb h LEU 130 CO 0.08 0.05 0.24 0.00 -0.13 0.00 0.00 178.44 178.68 2klb h GLU 132 N 0.35 -0.79 -0.23 0.00 4.81 -0.76 0.64 114.58 118.59 2klb h GLU 132 Ca 0.15 0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.32 2klb h GLU 132 Cb 0.16 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2klb h GLU 132 CO -0.03 -0.53 -0.34 1.05 -0.73 0.00 0.00 179.01 178.43 2klb h GLU 133 N -0.83 0.48 0.48 1.92 4.11 -1.14 -2.74 114.58 116.86 2klb h GLU 133 Ca -0.08 -0.21 -0.02 0.00 0.07 0.00 0.00 59.36 59.11 2klb h GLU 133 Cb 0.63 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2klb h GLU 133 CO 0.14 0.75 -0.23 0.00 0.07 0.00 0.00 179.01 179.74 2klb h ALA 134 N 1.23 -0.65 -0.34 1.06 0.00 -1.24 -2.78 119.26 116.55 2klb h ALA 134 Ca 0.05 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.87 2klb h ALA 134 Cb 0.78 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 2klb h ALA 134 CO 0.06 -0.61 -0.03 0.78 0.00 0.00 0.00 179.25 179.45 2klb h GLY 135 N -1.15 0.30 0.99 0.00 0.00 -0.94 -1.71 103.07 100.56 2klb h GLY 135 Ca -0.07 0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.34 2klb h GLY 135 CO 0.11 -0.09 0.61 -0.84 0.00 0.00 0.00 176.54 176.32 2klb h THR 136 N 0.06 1.22 -0.65 4.70 2.02 -1.63 -0.95 112.91 117.69 2klb h THR 136 Ca 0.16 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 2klb h THR 136 Cb 0.23 -0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.50 2klb h THR 136 CO -0.30 0.22 0.36 -0.78 0.37 0.00 0.00 175.52 175.40 2klb h ASP 137 N 1.23 0.80 -0.49 4.18 3.58 -1.07 -0.30 116.42 124.35 2klb h ASP 137 Ca 0.34 -0.09 -0.10 0.00 0.42 0.00 0.00 57.03 57.60 2klb h ASP 137 Cb -0.12 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.71 2klb h ASP 137 CO -0.08 0.66 -0.08 -0.07 -2.88 0.00 0.00 179.24 176.79 2klb h LEU 138 N 0.88 0.95 -0.43 2.28 -0.00 -1.03 -1.93 115.31 116.03 2klb h LEU 138 Ca 0.23 -0.29 0.03 0.00 -0.00 0.00 0.00 57.88 57.84 2klb h LEU 138 Cb 0.03 -0.26 -0.03 0.00 -0.00 0.00 0.00 40.66 40.40 2klb h LEU 138 CO -0.04 1.05 0.23 1.23 -0.00 0.00 0.00 178.44 180.91 2klb h GLY 139 N 0.97 0.59 2.00 0.83 0.00 -0.61 -1.84 103.07 105.02 2klb h GLY 139 Ca 0.14 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 2klb h GLY 139 CO 0.04 0.13 -0.15 1.46 0.00 0.00 0.00 176.54 178.02 2klb h GLN 140 N 0.47 0.00 -0.28 4.80 4.20 -0.96 -2.49 115.11 120.85 2klb h GLN 140 Ca 0.18 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.82 2klb h GLN 140 Cb 0.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 2klb h GLN 140 CO -0.11 0.15 -0.08 2.35 -0.67 0.00 0.00 178.83 180.48 2klb h TRP 141 N 0.00 0.61 0.02 2.96 7.01 -0.62 -2.63 115.95 123.30 2klb h TRP 141 Ca -0.00 -0.13 -0.00 0.00 2.11 0.00 0.00 58.89 60.86 2klb h TRP 141 Cb 0.51 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.43 2klb h TRP 141 CO 0.00 0.75 -0.01 0.28 -2.79 0.00 0.00 178.44 176.67 2klb h VAL 142 N 0.29 1.04 -0.33 2.65 2.07 -0.93 -2.80 116.25 118.24 2klb h VAL 142 Ca 0.07 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2klb h VAL 142 Cb 0.56 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 2klb h VAL 142 CO 0.03 0.05 0.14 0.00 0.02 0.00 0.00 177.57 177.81 2klb h THR 143 N -0.11 1.12 -0.43 2.57 1.03 -1.55 -1.83 112.91 113.71 2klb h THR 143 Ca -0.00 -0.37 0.05 0.00 -0.01 0.00 0.00 66.41 66.07 2klb h THR 143 Cb 0.10 0.73 -0.04 0.00 -1.07 0.00 0.00 68.15 67.87 2klb h THR 143 CO 0.01 0.14 0.19 -0.09 -0.01 0.00 0.00 175.52 175.76 2klb h ARG 144 N 0.45 0.37 -0.33 0.00 2.43 -1.27 0.13 114.38 116.16 2klb h ARG 144 Ca 0.11 -0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.36 2klb h ARG 144 Cb 0.08 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2klb h ARG 144 CO -0.01 0.24 0.24 0.22 -1.51 0.00 0.00 179.97 179.15 2klb h ASP 145 N 0.38 0.00 0.45 -3.80 1.82 -1.08 -2.11 116.42 112.08 2klb h ASP 145 Ca 0.20 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.53 2klb h ASP 145 Cb 0.15 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.13 2klb h ASP 145 CO -0.17 0.00 -1.62 0.03 -1.61 0.00 0.00 179.24 175.87 2klb h ARG 146 N 0.00 0.15 0.00 0.28 -0.00 -1.14 -3.49 114.38 110.19 2klb h ARG 146 Ca 0.16 -0.26 0.00 0.00 -0.50 0.00 0.00 59.98 59.38 2klb h ARG 146 Cb 0.64 0.10 0.00 0.00 0.00 0.00 0.00 29.97 30.71 2klb h ARG 146 CO -0.00 0.93 0.00 -0.11 0.00 0.00 0.00 179.97 180.79 2klb n LEU 147 N -3.32 0.00 0.00 3.04 7.94 0.37 -5.12 117.00 119.91 2klb n LEU 147 Ca -0.18 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.72 2klb n LEU 147 Cb 1.04 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.99 2klb n LEU 147 CO 0.47 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 176.13 2klb n GLU 148 N -0.34 0.00 0.03 1.96 1.02 -1.24 -4.84 120.64 117.23 2klb n GLU 148 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2klb n GLU 148 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2klb n GLU 148 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2klb n HIS 149 N -2.40 -2.52 0.00 -0.32 -0.00 -1.26 -3.79 115.22 104.92 2klb n HIS 149 Ca 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 57.72 57.91 2klb n HIS 149 Cb 0.00 0.90 0.00 0.00 -0.00 0.00 0.00 29.99 30.89 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 -2.62 0.00 -2.21 1.57 -0.00 -1.26 -4.74 115.22 105.96 2klb n HIS 150 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.40 2klb n HIS 150 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 29.95 2klb n HIS 150 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2klb s HIS 151 N 0.00 2.13 0.12 1.57 2.46 -1.26 -4.84 115.29 115.48 2klb s HIS 151 Ca 0.00 -0.02 -0.23 0.00 0.47 0.00 0.00 55.06 55.27 2klb s HIS 151 Cb 0.00 -4.22 0.06 0.00 -0.13 0.00 0.00 32.58 28.29 2klb s HIS 151 CO 0.00 -1.52 0.58 -1.01 -2.47 0.00 0.00 174.74 170.33 2klb s HIS 152 N 8.92 -0.51 0.61 3.88 3.76 -1.26 -5.16 115.29 125.53 2klb s HIS 152 Ca 0.64 0.39 -0.19 0.00 -0.15 0.00 0.00 55.06 55.75 2klb s HIS 152 Cb -0.01 0.49 -0.02 0.00 1.11 0.00 0.00 32.58 34.15 2klb s HIS 152 CO 0.07 -0.79 1.30 -3.38 -0.85 0.00 0.00 174.74 171.09 2klb s HIS 153 N -3.34 2.18 -2.33 1.40 -3.43 -1.26 -5.23 115.29 103.27 2klb s HIS 153 Ca -0.01 1.46 0.19 0.00 -0.80 0.00 0.00 55.06 55.90 2klb s HIS 153 Cb -0.01 -3.69 0.15 0.00 -1.43 0.00 0.00 32.58 27.60 2klb s HIS 153 CO -0.09 -2.81 1.09 0.72 -2.00 0.00 0.00 174.74 171.65