#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 0.00-10.21 -3.12 -1.33 2.08 -1.21 -0.92 119.36 104.65 2klb n ILE 2 Ca 0.00 1.82 -0.43 0.00 0.56 0.00 0.00 62.75 64.70 2klb n ILE 2 Cb 0.00 -6.00 -0.07 0.00 -0.75 0.00 0.00 39.64 32.83 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 -1.16 1.72 -0.42 7.39 0.00 -0.84 0.14 107.32 114.15 2klb s GLY 3 Ca -0.08 -1.24 -0.23 0.00 0.00 0.00 0.00 44.72 43.17 2klb s GLY 3 CO 0.63 1.52 0.76 0.54 0.00 0.00 0.00 173.10 176.55 2klb s VAL 4 N 2.79 4.70 -0.74 1.40 0.11 0.16 -0.56 120.40 128.26 2klb s VAL 4 Ca 0.22 0.53 -0.21 0.00 -2.93 0.00 0.00 61.98 59.59 2klb s VAL 4 Cb -0.14 -4.27 0.09 0.00 -1.53 0.00 0.00 36.38 30.54 2klb s VAL 4 CO 0.19 -0.61 0.99 -0.36 -3.33 0.00 0.00 175.10 171.98 2klb s PHE 5 N 3.16 2.86 0.40 1.54 0.40 0.21 -1.14 117.98 125.42 2klb s PHE 5 Ca 0.29 -0.88 0.01 0.00 -0.60 0.00 0.00 56.93 55.75 2klb s PHE 5 Cb -0.13 -4.26 -0.00 0.00 0.51 0.00 0.00 43.02 39.14 2klb s PHE 5 CO 0.20 -1.56 0.02 2.48 0.70 0.00 0.00 175.22 177.07 2klb n TYR 6 N 7.17 0.81 -3.51 0.36 4.11 0.07 -2.82 117.16 123.35 2klb n TYR 6 Ca 0.05 -2.08 -0.29 0.00 -0.00 0.00 0.00 57.90 55.58 2klb n TYR 6 Cb 0.46 -0.22 -0.13 0.00 -0.00 0.00 0.00 39.34 39.45 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 -2.57 0.15 0.57 -3.48 0.11 -1.26 -0.24 120.40 113.68 2klb s VAL 7 Ca 0.03 -1.40 0.26 0.00 -2.93 0.00 0.00 61.98 57.95 2klb s VAL 7 Cb 0.00 -1.13 0.35 0.00 -1.53 0.00 0.00 36.38 34.08 2klb s VAL 7 CO 0.02 -0.88 2.10 0.28 -3.33 0.00 0.00 175.10 173.29 2klb h SER 8 N 7.54 0.00 0.70 3.54 0.02 -1.92 -1.97 113.55 121.46 2klb h SER 8 Ca -0.04 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2klb h SER 8 Cb 0.98 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.52 2klb h SER 8 CO 0.34 0.00 -0.13 -0.08 -1.14 0.00 0.00 176.83 175.83 2klb h GLU 9 N 0.00 0.00 -3.60 3.45 4.57 -1.93 -3.45 114.58 113.62 2klb h GLU 9 Ca 0.10 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.10 2klb h GLU 9 Cb 0.47 0.00 -0.24 0.00 -0.16 0.00 0.00 28.75 28.82 2klb h GLU 9 CO -0.00 0.13 -0.59 -0.47 -1.18 0.00 0.00 179.01 176.89 2klb s TYR 10 N -3.86 0.01 0.00 0.92 5.04 -0.74 -5.13 117.35 113.59 2klb s TYR 10 Ca -0.01 -0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.61 2klb s TYR 10 Cb 0.11 -0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.39 2klb s TYR 10 CO 0.58 -0.15 0.00 0.41 -1.34 0.00 0.00 175.55 175.06 2klb n GLY 11 N 2.30 0.41 0.88 8.97 0.00 -1.26 -3.97 105.19 112.52 2klb n GLY 11 Ca -0.18 -0.83 0.10 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 -0.46 0.47 -0.25 1.61 4.02 -1.26 -4.53 117.16 116.76 2klb n TYR 12 Ca 0.00 -0.23 0.22 0.00 -0.01 0.00 0.00 57.90 57.88 2klb n TYR 12 Cb 0.00 0.00 0.56 0.00 -0.02 0.00 0.00 39.34 39.88 2klb n TYR 12 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2klb h SER 13 N 3.19 0.32 0.50 7.72 4.64 -1.80 0.12 113.55 128.25 2klb h SER 13 Ca 0.00 0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 2klb h SER 13 Cb 0.71 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 2klb h SER 13 CO 0.00 0.11 -0.32 -0.78 -0.87 0.00 0.00 176.83 174.97 2klb h ASP 14 N 0.31 -0.81 0.35 4.97 3.58 -1.80 0.11 116.42 123.13 2klb h ASP 14 Ca 0.49 0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.94 2klb h ASP 14 Cb 1.37 0.24 -0.01 0.00 1.72 0.00 0.00 39.33 42.66 2klb h ASP 14 CO -0.16 -0.50 -0.22 0.03 -2.88 0.00 0.00 179.24 175.51 2klb h ARG 15 N -0.79 0.00 -0.36 0.28 2.47 -1.21 -0.08 114.38 114.69 2klb h ARG 15 Ca -0.06 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.58 2klb h ARG 15 Cb 0.65 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.96 2klb h ARG 15 CO 0.05 0.22 -0.09 -0.07 0.56 0.00 0.00 179.97 180.65 2klb h LEU 16 N 0.00 0.69 -1.07 3.04 3.38 -0.74 -2.13 115.31 118.48 2klb h LEU 16 Ca -0.00 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 2klb h LEU 16 Cb 0.46 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2klb h LEU 16 CO 0.03 0.89 0.19 0.00 0.09 0.00 0.00 178.44 179.64 2klb h ALA 17 N 0.82 1.26 -0.48 1.53 0.00 -0.03 -1.98 119.26 120.38 2klb h ALA 17 Ca 0.09 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2klb h ALA 17 Cb 0.59 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2klb h ALA 17 CO 0.04 0.53 0.24 0.37 0.00 0.00 0.00 179.25 180.43 2klb h GLN 18 N 0.83 0.47 -0.67 0.00 4.15 -0.89 0.39 115.11 119.39 2klb h GLN 18 Ca 0.19 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.61 2klb h GLN 18 Cb 0.23 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.77 2klb h GLN 18 CO -0.01 0.31 0.41 0.00 -1.93 0.00 0.00 178.83 177.61 2klb h ALA 19 N 1.25 0.87 0.70 3.38 0.00 -0.90 0.21 119.26 124.78 2klb h ALA 19 Ca 0.21 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2klb h ALA 19 Cb 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2klb h ALA 19 CO -0.14 0.17 -0.38 0.82 0.00 0.00 0.00 179.25 179.72 2klb h ILE 20 N 0.80 0.22 -0.70 0.00 2.04 -0.91 -2.26 117.51 116.71 2klb h ILE 20 Ca 0.27 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.22 2klb h ILE 20 Cb 0.03 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.29 2klb h ILE 20 CO -0.11 0.00 0.46 0.40 0.00 0.00 0.00 178.15 178.90 2klb h ILE 21 N -1.00 0.94 0.35 -0.67 2.04 -0.76 -0.58 117.51 117.83 2klb h ILE 21 Ca -0.09 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 2klb h ILE 21 Cb 0.79 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 2klb h ILE 21 CO 0.12 0.11 -0.17 -1.13 0.00 0.00 0.00 178.15 177.08 2klb h ASN 22 N 0.60 -0.40 -0.71 1.72 -1.24 -0.37 0.11 115.58 115.30 2klb h ASN 22 Ca 0.32 0.01 -0.06 0.00 0.71 0.00 0.00 56.30 57.28 2klb h ASN 22 Cb 0.44 0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.57 2klb h ASN 22 CO -0.11 -0.28 0.20 1.23 -1.29 0.00 0.00 177.43 177.18 2klb h GLY 23 N -0.48 1.20 0.95 1.57 0.00 -0.97 -0.04 103.07 105.31 2klb h GLY 23 Ca -0.05 -0.73 -0.00 0.00 0.00 0.00 0.00 47.33 46.54 2klb h GLY 23 CO 0.08 0.68 0.14 -2.22 0.00 0.00 0.00 176.54 175.22 2klb h ILE 24 N 1.06 1.11 -0.06 2.60 1.08 -0.99 0.00 117.51 122.32 2klb h ILE 24 Ca 0.23 -0.30 -0.12 0.00 -0.39 0.00 0.00 64.86 64.28 2klb h ILE 24 Cb 0.34 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 34.93 2klb h ILE 24 CO -0.00 0.11 -0.50 0.71 -0.69 0.00 0.00 178.15 177.78 2klb h THR 25 N 0.30 1.35 -0.57 -0.27 1.35 -0.71 0.14 112.91 114.50 2klb h THR 25 Ca 0.09 -1.74 -0.05 0.00 -0.55 0.00 0.00 66.41 64.16 2klb h THR 25 Cb 0.06 1.87 -0.02 0.00 -1.73 0.00 0.00 68.15 68.32 2klb h THR 25 CO -0.01 0.51 0.15 0.50 -0.25 0.00 0.00 175.52 176.42 2klb h LYS 26 N 0.13 0.91 0.09 4.72 1.63 -0.74 -3.21 116.57 120.09 2klb h LYS 26 Ca 0.00 -0.21 -0.00 0.00 -0.85 0.00 0.00 60.65 59.59 2klb h LYS 26 Cb 0.93 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.44 2klb h LYS 26 CO 0.07 0.84 -0.04 1.15 -3.45 0.00 0.00 179.45 178.02 2klb h THR 27 N 0.81 1.14 0.00 1.00 2.02 -0.80 -3.49 112.91 113.60 2klb h THR 27 Ca 0.18 -1.02 0.00 0.00 0.77 0.00 0.00 66.41 66.34 2klb h THR 27 Cb 0.33 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 2klb h THR 27 CO -0.00 0.24 0.00 0.61 0.37 0.00 0.00 175.52 176.74 2klb n GLY 28 N 0.17 0.41 3.07 2.16 0.00 0.36 -5.10 105.19 106.26 2klb n GLY 28 Ca -0.09 -0.23 -0.08 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 0.23 0.08 1.61 1.01 -0.51 -5.01 120.40 117.81 2klb s VAL 29 Ca 0.00 -1.62 0.02 0.00 0.00 0.00 0.00 61.98 60.38 2klb s VAL 29 Cb 0.00 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 2klb s VAL 29 CO 0.00 -0.88 0.11 -0.83 0.00 0.00 0.00 175.10 173.50 2klb s GLY 30 N -2.61 2.05 0.03 4.51 0.00 -1.26 -4.07 107.32 105.97 2klb s GLY 30 Ca 0.02 -0.98 0.04 0.00 0.00 0.00 0.00 44.72 43.80 2klb s GLY 30 CO -0.08 -0.96 -0.13 0.14 0.00 0.00 0.00 173.10 172.07 2klb s VAL 31 N -1.43 1.00 0.05 1.40 1.01 -1.25 -4.47 120.40 116.71 2klb s VAL 31 Ca 0.31 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 61.24 2klb s VAL 31 Cb -0.12 -0.91 -0.06 0.00 0.00 0.00 0.00 36.38 35.29 2klb s VAL 31 CO 0.23 -0.01 0.42 -1.81 0.00 0.00 0.00 175.10 173.94 2klb s ASP 32 N -1.06 6.74 -0.14 3.32 1.01 0.12 -4.86 116.67 121.80 2klb s ASP 32 Ca 0.01 0.90 -0.03 0.00 0.71 0.00 0.00 52.55 54.14 2klb s ASP 32 Cb -0.07 -2.22 -0.03 0.00 1.01 0.00 0.00 42.92 41.61 2klb s ASP 32 CO 0.01 0.23 -0.06 0.68 0.21 0.00 0.00 175.17 176.25 2klb s VAL 33 N -1.27 3.74 -0.02 -1.27 -7.23 -1.26 -0.66 120.40 112.42 2klb s VAL 33 Ca 0.29 -0.42 0.00 0.00 -1.81 0.00 0.00 61.98 60.05 2klb s VAL 33 Cb -0.15 -2.62 0.02 0.00 0.56 0.00 0.00 36.38 34.20 2klb s VAL 33 CO 0.16 0.51 0.00 -0.69 -0.31 0.00 0.00 175.10 174.77 2klb s VAL 34 N 0.22 0.14 -0.50 1.32 1.01 -0.29 -4.92 120.40 117.39 2klb s VAL 34 Ca -0.04 0.08 -0.18 0.00 0.00 0.00 0.00 61.98 61.84 2klb s VAL 34 Cb -0.14 -0.23 0.06 0.00 0.00 0.00 0.00 36.38 36.07 2klb s VAL 34 CO 0.03 0.12 0.57 -1.81 0.00 0.00 0.00 175.10 174.01 2klb s ASP 35 N 0.86 6.20 0.24 3.32 1.11 -1.25 -0.75 116.67 126.40 2klb s ASP 35 Ca -0.08 -1.02 0.23 0.00 0.18 0.00 0.00 52.55 51.86 2klb s ASP 35 Cb -0.12 -2.26 0.96 0.00 1.07 0.00 0.00 42.92 42.57 2klb s ASP 35 CO -0.02 -0.83 1.69 0.00 1.18 0.00 0.00 175.17 177.19 2klb n LEU 36 N 5.93 0.61 -1.39 1.23 -0.00 0.66 -2.64 117.00 121.40 2klb n LEU 36 Ca -0.08 0.66 -0.09 0.00 -0.00 0.00 0.00 56.01 56.50 2klb n LEU 36 Cb 0.45 -0.58 0.18 0.00 -0.00 0.00 0.00 43.42 43.47 2klb n LEU 36 CO 0.52 -0.55 0.77 0.61 -0.00 0.00 0.00 177.39 178.74 2klb n GLY 37 N -0.07 4.98 3.30 1.47 0.00 -1.26 -4.60 105.19 109.02 2klb n GLY 37 Ca 0.02 -1.32 -0.15 0.00 0.00 0.00 0.00 46.02 44.56 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 -3.30 1.27 -0.76 4.61 0.00 -1.08 -4.82 121.76 117.68 2klb s ALA 38 Ca 0.47 -1.76 -0.25 0.00 0.00 0.00 0.00 51.96 50.42 2klb s ALA 38 Cb 0.42 1.37 -0.06 0.00 0.00 0.00 0.00 23.12 24.85 2klb s ALA 38 CO 0.01 -0.67 2.06 0.00 0.00 0.00 0.00 175.76 177.16 2klb s ALA 39 N -3.71 1.62 0.71 0.00 0.00 -1.26 -4.96 121.76 114.16 2klb s ALA 39 Ca 0.37 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 51.32 2klb s ALA 39 Cb 0.04 -4.47 0.11 0.00 0.00 0.00 0.00 23.12 18.79 2klb s ALA 39 CO 0.19 -4.73 0.99 0.14 0.00 0.00 0.00 175.76 172.36 2klb s VAL 40 N 10.88 2.24 0.25 0.00 -7.23 -1.26 -5.08 120.40 120.20 2klb s VAL 40 Ca 0.76 -0.48 -0.05 0.00 -1.81 0.00 0.00 61.98 60.41 2klb s VAL 40 Cb -0.11 -2.76 -0.02 0.00 0.56 0.00 0.00 36.38 34.05 2klb s VAL 40 CO 0.10 0.00 0.32 -0.62 -0.31 0.00 0.00 175.10 174.59 2klb s ASP 41 N -4.66 0.32 0.54 4.85 2.15 -1.26 -5.03 116.67 113.58 2klb s ASP 41 Ca 0.64 -1.28 0.26 0.00 0.43 0.00 0.00 52.55 52.61 2klb s ASP 41 Cb -0.07 0.51 1.42 0.00 -0.30 0.00 0.00 42.92 44.48 2klb s ASP 41 CO 0.44 -1.04 1.99 0.25 -0.17 0.00 0.00 175.17 176.64 2klb h LEU 42 N 2.37 0.00 -0.49 -1.34 7.12 -2.00 -2.17 115.31 118.80 2klb h LEU 42 Ca -0.30 0.00 0.09 0.00 0.13 0.00 0.00 57.88 57.80 2klb h LEU 42 Cb 1.25 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 41.30 2klb h LEU 42 CO 0.43 0.00 0.05 1.56 -0.13 0.00 0.00 178.44 180.35 2klb h GLN 43 N 0.00 0.17 -0.83 1.25 1.08 -2.00 0.80 115.11 115.58 2klb h GLN 43 Ca 0.25 -0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.47 2klb h GLN 43 Cb 1.03 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 28.38 2klb h GLN 43 CO -0.00 0.11 0.55 0.93 -0.95 0.00 0.00 178.83 179.47 2klb h GLU 44 N 0.17 1.01 -0.36 1.46 3.07 -1.81 -2.27 114.58 115.86 2klb h GLU 44 Ca 0.25 -0.06 -0.07 0.00 -0.50 0.00 0.00 59.36 58.97 2klb h GLU 44 Cb 0.35 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 2klb h GLU 44 CO -0.36 0.67 -0.05 1.25 -1.40 0.00 0.00 179.01 179.12 2klb h LEU 45 N 1.04 0.67 -0.03 1.33 7.12 -1.08 0.30 115.31 124.67 2klb h LEU 45 Ca 0.33 -0.34 0.01 0.00 0.13 0.00 0.00 57.88 58.01 2klb h LEU 45 Cb 0.02 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 39.95 2klb h LEU 45 CO -0.09 0.85 -0.04 -0.09 -0.13 0.00 0.00 178.44 178.94 2klb h ARG 46 N 0.47 -0.05 -0.03 1.25 2.43 -0.65 -1.92 114.38 115.87 2klb h ARG 46 Ca 0.10 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 2klb h ARG 46 Cb 0.54 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 2klb h ARG 46 CO 0.03 -0.04 -0.18 1.49 -1.51 0.00 0.00 179.97 179.76 2klb h GLU 47 N -0.05 0.05 -0.11 0.20 4.57 -1.37 -2.33 114.58 115.53 2klb h GLU 47 Ca 0.03 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.23 2klb h GLU 47 Cb 0.09 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 2klb h GLU 47 CO -0.06 0.23 0.08 1.25 -1.18 0.00 0.00 179.01 179.32 2klb h LEU 48 N 0.04 0.00 -1.66 1.64 5.85 -0.13 0.21 115.31 121.27 2klb h LEU 48 Ca 0.01 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.82 2klb h LEU 48 Cb 0.34 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 2klb h LEU 48 CO 0.02 0.00 0.38 0.58 -0.34 0.00 0.00 178.44 179.08 2klb h VAL 49 N 0.00 0.91 0.02 1.05 2.07 -1.12 0.34 116.25 119.52 2klb h VAL 49 Ca 0.05 -0.13 -0.30 0.00 0.82 0.00 0.00 66.70 67.14 2klb h VAL 49 Cb 0.20 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 2klb h VAL 49 CO -0.00 0.07 -1.68 1.23 0.02 0.00 0.00 177.57 177.21 2klb h GLY 50 N 0.39 0.06 2.00 2.17 0.00 -0.96 -3.35 103.07 103.38 2klb h GLY 50 Ca 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2klb h GLY 50 CO -0.07 0.13 0.00 0.54 0.00 0.00 0.00 176.54 177.14 2klb n ARG 51 N -3.15 0.04 0.03 4.80 1.74 0.49 -3.16 116.66 117.44 2klb n ARG 51 Ca -0.17 0.19 0.02 0.00 -0.77 0.00 0.00 57.85 57.12 2klb n ARG 51 Cb 1.04 -1.56 0.12 0.00 -1.02 0.00 0.00 32.46 31.05 2klb n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2klb h THR 53 N 0.00 1.22 -1.34 0.00 1.35 -1.84 -3.44 112.91 108.85 2klb h THR 53 Ca 0.00 -1.78 0.13 0.00 -0.55 0.00 0.00 66.41 64.21 2klb h THR 53 Cb 0.03 2.00 -0.30 0.00 -1.73 0.00 0.00 68.15 68.15 2klb h THR 53 CO 0.00 0.49 0.63 -0.83 -0.25 0.00 0.00 175.52 175.55 2klb s GLY 54 N -4.40 0.14 -0.07 5.82 0.00 -0.09 -4.47 107.32 104.24 2klb s GLY 54 Ca -0.01 3.18 -0.27 0.00 0.00 0.00 0.00 44.72 47.62 2klb s GLY 54 CO 0.73 2.09 0.60 0.48 0.00 0.00 0.00 173.10 177.00 2klb s LEU 55 N 0.42 -0.33 -0.26 0.66 2.34 -1.22 -1.99 118.68 118.30 2klb s LEU 55 Ca 0.02 0.67 -0.00 0.00 0.06 0.00 0.00 54.13 54.87 2klb s LEU 55 Cb -0.04 2.24 0.04 0.00 -0.56 0.00 0.00 46.19 47.86 2klb s LEU 55 CO -0.11 -0.52 -0.07 -0.69 -1.06 0.00 0.00 176.35 173.89 2klb s VAL 56 N -1.01 2.67 0.06 1.48 1.01 0.27 -0.29 120.40 124.59 2klb s VAL 56 Ca -0.10 -1.24 0.08 0.00 0.00 0.00 0.00 61.98 60.72 2klb s VAL 56 Cb -0.02 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 2klb s VAL 56 CO 0.08 0.11 -0.19 -0.63 0.00 0.00 0.00 175.10 174.47 2klb s ILE 57 N 1.25 2.76 0.00 2.22 1.09 0.31 0.68 121.20 129.52 2klb s ILE 57 Ca -0.03 -1.28 0.00 0.00 -1.10 0.00 0.00 60.65 58.24 2klb s ILE 57 Cb -0.18 -2.19 0.00 0.00 -1.06 0.00 0.00 42.46 39.04 2klb s ILE 57 CO -0.05 0.28 0.00 0.61 -0.10 0.00 0.00 174.94 175.68 2klb n GLY 58 N 1.37 0.97 3.39 6.18 0.00 -1.13 -0.86 105.19 115.11 2klb n GLY 58 Ca -0.16 -0.72 -0.24 0.00 0.00 0.00 0.00 46.02 44.91 2klb n GLY 58 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2klb s MET 59 N 1.29 1.44 -0.37 1.61 -1.94 -1.18 -4.56 119.30 115.59 2klb s MET 59 Ca 0.00 -1.53 -0.15 0.00 -1.71 0.00 0.00 55.69 52.29 2klb s MET 59 Cb 0.00 -1.57 -0.00 0.00 2.01 0.00 0.00 34.83 35.27 2klb s MET 59 CO 0.00 0.32 0.35 -1.54 -0.01 0.00 0.00 175.02 174.14 2klb s SER 60 N -2.89 6.15 0.09 3.03 1.04 -1.26 -4.58 113.70 115.28 2klb s SER 60 Ca 0.21 -0.44 -0.09 0.00 0.48 0.00 0.00 55.95 56.11 2klb s SER 60 Cb -0.06 -2.19 -0.06 0.00 0.10 0.00 0.00 66.02 63.82 2klb s SER 60 CO 0.09 -0.39 0.39 -2.16 0.98 0.00 0.00 173.24 172.16 2klb s PRO 61 N 1.95 3.73 0.60 4.02 0.04 -1.26 -4.32 135.00 139.76 2klb s PRO 61 Ca 0.10 0.12 0.28 0.00 0.04 0.00 0.00 61.00 61.54 2klb s PRO 61 Cb -0.17 -2.96 1.34 0.00 0.04 0.00 0.00 34.50 32.75 2klb s PRO 61 CO 0.12 0.54 1.75 0.00 0.04 0.00 0.00 177.00 179.45 2klb h ALA 62 N 3.54 2.25 -0.02 8.56 0.00 -1.56 -0.09 119.26 131.95 2klb h ALA 62 Ca -0.49 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 2klb h ALA 62 Cb 1.19 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2klb h ALA 62 CO 0.67 -0.90 0.01 0.00 0.00 0.00 0.00 179.25 179.03 2klb h ALA 63 N 1.21 0.02 -0.35 0.00 0.00 -1.93 -3.18 119.26 115.03 2klb h ALA 63 Ca 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2klb h ALA 63 Cb 1.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2klb h ALA 63 CO -0.00 -0.43 0.00 -1.13 0.00 0.00 0.00 179.25 177.69 2klb n SER 64 N -5.03 3.44 -0.25 0.00 3.41 -0.21 -4.49 113.62 110.50 2klb n SER 64 Ca -0.07 -2.00 0.30 0.00 -0.26 0.00 0.00 58.87 56.84 2klb n SER 64 Cb 0.07 -0.22 0.70 0.00 -0.26 0.00 0.00 64.21 64.50 2klb n SER 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2klb h ALA 65 N 4.56 2.84 0.02 7.33 0.00 -1.10 -0.43 119.26 132.49 2klb h ALA 65 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2klb h ALA 65 Cb 1.00 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2klb h ALA 65 CO 0.00 -1.14 -0.06 0.00 0.00 0.00 0.00 179.25 178.05 2klb h ALA 66 N 1.51 -0.08 -0.31 0.00 0.00 -1.80 0.23 119.26 118.81 2klb h ALA 66 Ca 0.50 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.37 2klb h ALA 66 Cb 1.85 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 2klb h ALA 66 CO -0.05 -0.56 0.05 1.03 0.00 0.00 0.00 179.25 179.72 2klb h SER 67 N -0.12 0.49 -0.05 0.00 0.87 -1.42 -1.53 113.55 111.79 2klb h SER 67 Ca 0.02 -0.26 0.03 0.00 -1.23 0.00 0.00 61.79 60.35 2klb h SER 67 Cb 0.13 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 2klb h SER 67 CO -0.05 0.63 -0.20 0.40 -0.53 0.00 0.00 176.83 177.08 2klb h ILE 68 N 0.34 0.51 -0.55 2.23 1.08 -1.22 -1.31 117.51 118.60 2klb h ILE 68 Ca 0.09 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.47 2klb h ILE 68 Cb 0.34 0.51 -0.02 0.00 -3.07 0.00 0.00 36.82 34.59 2klb h ILE 68 CO 0.01 0.00 -0.03 1.56 -0.69 0.00 0.00 178.15 179.00 2klb h GLN 69 N -0.29 0.97 -0.92 2.37 4.20 -0.96 0.16 115.11 120.62 2klb h GLN 69 Ca 0.07 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 2klb h GLN 69 Cb 0.40 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.04 2klb h GLN 69 CO -0.22 0.97 0.56 0.78 -0.67 0.00 0.00 178.83 180.25 2klb h GLY 70 N 0.99 1.33 0.52 3.46 0.00 -0.93 -3.00 103.07 105.44 2klb h GLY 70 Ca 0.16 -0.55 -0.25 0.00 0.00 0.00 0.00 47.33 46.68 2klb h GLY 70 CO 0.03 0.54 -1.28 0.00 0.00 0.00 0.00 176.54 175.82 2klb h ALA 71 N 1.31 0.14 -0.80 3.60 0.00 -1.14 -3.39 119.26 118.97 2klb h ALA 71 Ca 0.33 -1.03 0.12 0.00 0.00 0.00 0.00 54.91 54.34 2klb h ALA 71 Cb -0.06 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 2klb h ALA 71 CO -0.06 0.74 0.42 1.25 0.00 0.00 0.00 179.25 181.59 2klb h LEU 72 N -0.38 0.53 -1.57 0.00 7.12 -0.71 0.85 115.31 121.15 2klb h LEU 72 Ca -0.28 0.07 0.23 0.00 0.13 0.00 0.00 57.88 58.04 2klb h LEU 72 Cb 1.69 -0.01 -0.07 0.00 -0.53 0.00 0.00 40.66 41.74 2klb h LEU 72 CO 0.05 0.26 0.63 0.28 -0.13 0.00 0.00 178.44 179.53 2klb h SER 73 N 0.65 0.34 0.14 1.25 0.02 -1.72 0.15 113.55 114.38 2klb h SER 73 Ca 0.42 0.04 -0.36 0.00 -0.84 0.00 0.00 61.79 61.05 2klb h SER 73 Cb 0.51 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 2klb h SER 73 CO -0.32 0.12 -1.97 0.74 -1.14 0.00 0.00 176.83 174.26 2klb h THR 74 N 0.33 0.65 -0.90 -2.27 2.02 -1.22 -3.38 112.91 108.13 2klb h THR 74 Ca 0.49 -2.36 0.11 0.00 0.77 0.00 0.00 66.41 65.42 2klb h THR 74 Cb 1.35 2.53 -0.08 0.00 -1.74 0.00 0.00 68.15 70.21 2klb h THR 74 CO -0.17 0.89 0.54 0.40 0.37 0.00 0.00 175.52 177.55 2klb h ILE 75 N 0.07 0.89 -0.67 3.11 2.04 0.08 -1.54 117.51 121.49 2klb h ILE 75 Ca -0.42 -0.29 0.14 0.00 1.00 0.00 0.00 64.86 65.29 2klb h ILE 75 Cb 2.04 -0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 2klb h ILE 75 CO 0.10 0.16 0.45 0.25 0.00 0.00 0.00 178.15 179.10 2klb h LEU 76 N 0.86 0.30 0.04 1.44 5.85 -1.19 0.30 115.31 122.91 2klb h LEU 76 Ca 0.45 0.01 -0.24 0.00 0.84 0.00 0.00 57.88 58.94 2klb h LEU 76 Cb 0.45 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2klb h LEU 76 CO -0.27 0.17 -1.16 1.23 -0.34 0.00 0.00 178.44 178.06 2klb h GLY 77 N 0.33 0.10 1.22 3.75 0.00 -1.50 -3.35 103.07 103.62 2klb h GLY 77 Ca 0.32 -0.26 -0.21 0.00 0.00 0.00 0.00 47.33 47.18 2klb h GLY 77 CO -0.08 0.23 -0.70 1.76 0.00 0.00 0.00 176.54 177.75 2klb h SER 78 N 0.02 0.92 -3.53 0.19 0.02 -0.72 -3.45 113.55 107.01 2klb h SER 78 Ca -0.08 -0.56 -0.52 0.00 -0.84 0.00 0.00 61.79 59.78 2klb h SER 78 Cb 1.86 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 64.10 2klb h SER 78 CO 0.15 1.36 0.01 0.68 -1.14 0.00 0.00 176.83 177.88 2klb s VAL 79 N -3.87 4.75 0.34 2.27 -7.23 -0.08 -4.81 120.40 111.77 2klb s VAL 79 Ca -0.10 0.91 -0.14 0.00 -1.81 0.00 0.00 61.98 60.83 2klb s VAL 79 Cb 0.09 -3.71 0.06 0.00 0.56 0.00 0.00 36.38 33.38 2klb s VAL 79 CO 0.89 0.04 0.75 -0.46 -0.31 0.00 0.00 175.10 176.02 2klb n ASN 80 N 0.25 -2.05 0.00 4.85 2.04 -1.26 -4.87 115.26 114.22 2klb n ASN 80 Ca -0.01 -2.38 0.00 0.00 -0.44 0.00 0.00 54.58 51.75 2klb n ASN 80 Cb 0.52 3.40 0.00 0.00 -2.53 0.00 0.00 39.78 41.17 2klb n ASN 80 CO 0.00 0.00 0.00 1.21 -0.44 0.00 0.00 177.26 178.03 2klb n GLU 81 N -0.51 0.00 -0.59 -3.83 4.07 -1.26 -4.17 120.64 114.35 2klb n GLU 81 Ca -0.07 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 57.00 2klb n GLU 81 Cb 0.54 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.90 2klb n GLU 81 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 2klb n LYS 82 N 0.00 0.00 -0.64 5.31 2.85 -1.26 -4.87 118.16 119.55 2klb n LYS 82 Ca 0.00 -0.32 -0.29 0.00 -1.05 0.00 0.00 58.31 56.65 2klb n LYS 82 Cb 0.00 0.22 0.23 0.00 -0.65 0.00 0.00 35.03 34.83 2klb n LYS 82 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 2klb s GLN 83 N 0.00 -0.48 -0.20 -1.58 1.11 -1.26 -3.60 119.66 113.65 2klb s GLN 83 Ca 0.00 0.91 -0.19 0.00 0.01 0.00 0.00 55.36 56.09 2klb s GLN 83 Cb 0.00 -1.60 -0.03 0.00 -1.01 0.00 0.00 33.01 30.37 2klb s GLN 83 CO 0.00 -3.45 0.55 0.00 0.01 0.00 0.00 175.29 172.40 2klb s ALA 84 N -2.55 3.54 -0.42 6.09 0.00 -1.26 -2.74 121.76 124.42 2klb s ALA 84 Ca 0.68 -0.37 -0.14 0.00 0.00 0.00 0.00 51.96 52.13 2klb s ALA 84 Cb -0.24 -2.86 0.04 0.00 0.00 0.00 0.00 23.12 20.06 2klb s ALA 84 CO 0.63 -0.48 0.31 0.14 0.00 0.00 0.00 175.76 176.36 2klb s VAL 85 N 1.72 5.14 -1.15 0.00 -7.23 0.13 -3.41 120.40 115.59 2klb s VAL 85 Ca 0.25 -0.82 -0.23 0.00 -1.81 0.00 0.00 61.98 59.38 2klb s VAL 85 Cb -0.16 -3.93 -0.08 0.00 0.56 0.00 0.00 36.38 32.77 2klb s VAL 85 CO 0.10 -0.38 1.93 -0.83 -0.31 0.00 0.00 175.10 175.61 2klb s GLY 86 N 1.93 0.19 -0.50 2.32 0.00 0.60 -2.81 107.32 109.05 2klb s GLY 86 Ca 0.04 -2.09 -0.29 0.00 0.00 0.00 0.00 44.72 42.39 2klb s GLY 86 CO 0.08 3.54 1.18 -0.42 0.00 0.00 0.00 173.10 177.48 2klb s ILE 87 N 10.83 4.13 -0.35 0.90 -1.09 -1.25 -0.53 121.20 133.84 2klb s ILE 87 Ca 0.68 1.12 -0.10 0.00 -2.23 0.00 0.00 60.65 60.12 2klb s ILE 87 Cb -0.01 -4.60 0.02 0.00 -1.58 0.00 0.00 42.46 36.29 2klb s ILE 87 CO 0.11 -1.07 0.17 0.72 -1.23 0.00 0.00 174.94 173.65 2klb s PHE 88 N 4.69 3.22 -0.42 3.97 -0.71 -0.04 -3.58 117.98 125.10 2klb s PHE 88 Ca 0.48 -0.93 -0.28 0.00 -1.04 0.00 0.00 56.93 55.16 2klb s PHE 88 Cb -0.08 -2.39 -0.08 0.00 -1.21 0.00 0.00 43.02 39.27 2klb s PHE 88 CO 0.31 -0.61 2.36 -0.85 -1.34 0.00 0.00 175.22 175.08 2klb n GLU 89 N 4.96 1.26 -3.59 1.99 0.28 -1.26 -4.07 120.64 120.22 2klb n GLU 89 Ca -0.12 0.19 -0.21 0.00 -0.16 0.00 0.00 57.16 56.85 2klb n GLU 89 Cb 0.47 -3.18 -0.15 0.00 1.43 0.00 0.00 31.44 30.00 2klb n GLU 89 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2klb s THR 90 N 10.41 -0.20 0.00 3.84 2.01 -1.26 -4.91 115.64 125.52 2klb s THR 90 Ca 1.02 0.00 0.00 0.00 0.31 0.00 0.00 61.69 63.03 2klb s THR 90 Cb -0.35 -0.52 0.00 0.00 0.01 0.00 0.00 72.50 71.64 2klb s THR 90 CO 0.32 -0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.73 2klb n GLY 91 N 5.30 0.70 4.19 4.40 0.00 -1.26 -3.12 105.19 115.40 2klb n GLY 91 Ca -0.06 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 1.57 6.43 -0.02 0.00 -1.26 -4.50 105.19 107.41 2klb n GLY 92 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 1.23 3.47 -0.02 0.00 -1.26 -4.42 105.19 104.19 2klb n GLY 93 Ca 0.00 0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.96 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 5.06 0.10 1.61 1.01 -1.26 -5.07 116.67 114.12 2klb s ASP 94 Ca 0.00 -0.16 -0.13 0.00 0.71 0.00 0.00 52.55 52.97 2klb s ASP 94 Cb 0.00 -1.88 0.02 0.00 1.01 0.00 0.00 42.92 42.07 2klb s ASP 94 CO 0.00 0.04 0.31 -0.62 0.21 0.00 0.00 175.17 175.11 2klb s ASP 95 N 1.14 -0.09 -0.17 0.27 2.15 -1.26 -1.79 116.67 116.92 2klb s ASP 95 Ca 0.04 -0.41 -0.13 0.00 0.43 0.00 0.00 52.55 52.47 2klb s ASP 95 Cb -0.14 0.41 -0.07 0.00 -0.30 0.00 0.00 42.92 42.81 2klb s ASP 95 CO 0.02 -0.77 -0.28 -0.62 -0.17 0.00 0.00 175.17 173.35 2klb n GLU 96 N -0.03 0.45 0.14 4.34 1.02 -1.26 -4.61 120.64 120.69 2klb n GLU 96 Ca -0.16 0.19 0.11 0.00 -0.02 0.00 0.00 57.16 57.28 2klb n GLU 96 Cb 0.62 -1.27 0.53 0.00 -0.02 0.00 0.00 31.44 31.31 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 -4.16 0.16 -0.14 3.49 -0.04 -1.26 -3.58 135.00 129.46 2klb n PRO 97 Ca -0.25 0.53 -0.05 0.00 -0.04 0.00 0.00 63.50 63.70 2klb n PRO 97 Cb 0.58 -1.91 0.02 0.00 -0.04 0.00 0.00 33.50 32.15 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 0.37 0.51 0.52 2.10 -1.90 0.15 117.51 119.27 2klb h ILE 98 Ca 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.91 2klb h ILE 98 Cb 0.17 0.37 0.01 0.00 -1.09 0.00 0.00 36.82 36.28 2klb h ILE 98 CO 0.00 0.00 -0.25 0.44 -1.08 0.00 0.00 178.15 177.26 2klb h ASP 99 N -0.12 -0.58 -0.59 2.19 5.19 -1.89 0.11 116.42 120.73 2klb h ASP 99 Ca 0.22 -0.01 0.10 0.00 -0.62 0.00 0.00 57.03 56.71 2klb h ASP 99 Cb 0.45 0.15 -0.03 0.00 0.18 0.00 0.00 39.33 40.08 2klb h ASP 99 CO -0.53 -0.36 0.40 -0.65 -3.12 0.00 0.00 179.24 174.97 2klb h PRO 100 N -0.77 0.36 0.48 3.56 0.11 -1.75 -1.32 132.00 132.68 2klb h PRO 100 Ca -0.07 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.99 2klb h PRO 100 Cb 0.56 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.60 2klb h PRO 100 CO 0.12 0.24 -0.23 1.25 -0.21 0.00 0.00 178.00 179.16 2klb h LEU 101 N 0.37 -0.55 -1.23 2.35 5.85 -0.36 -2.79 115.31 118.96 2klb h LEU 101 Ca 0.27 -0.08 0.11 0.00 0.84 0.00 0.00 57.88 59.03 2klb h LEU 101 Cb 0.57 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.68 2klb h LEU 101 CO -0.07 -0.18 0.57 -0.07 -0.34 0.00 0.00 178.44 178.35 2klb h LEU 102 N -0.98 0.75 -0.84 2.25 3.38 -0.83 0.37 115.31 119.42 2klb h LEU 102 Ca -0.07 0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.11 2klb h LEU 102 Cb 0.59 -0.12 -0.11 0.00 0.09 0.00 0.00 40.66 41.11 2klb h LEU 102 CO 0.11 0.42 0.36 -1.28 0.09 0.00 0.00 178.44 178.14 2klb h SER 103 N 0.82 0.34 -0.42 -0.43 0.87 -1.19 -1.52 113.55 112.02 2klb h SER 103 Ca 0.42 0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 61.07 2klb h SER 103 Cb 0.51 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 2klb h SER 103 CO -0.19 0.08 0.10 0.11 -0.53 0.00 0.00 176.83 176.40 2klb h LYS 104 N 0.46 0.67 -0.67 2.24 1.79 -0.64 -0.49 116.57 119.93 2klb h LYS 104 Ca 0.49 -0.16 -0.00 0.00 -2.18 0.00 0.00 60.65 58.79 2klb h LYS 104 Cb 0.82 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.35 2klb h LYS 104 CO -0.46 0.68 0.40 0.74 -1.08 0.00 0.00 179.45 179.74 2klb h PHE 105 N 0.54 0.87 0.62 -1.35 0.04 -1.27 -0.52 116.94 115.86 2klb h PHE 105 Ca 0.13 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.87 2klb h PHE 105 Cb 0.31 -0.29 0.01 0.00 2.20 0.00 0.00 35.95 38.18 2klb h PHE 105 CO 0.02 0.58 -0.30 0.00 -0.60 0.00 0.00 178.31 178.01 2klb h ARG 106 N 0.91 -0.80 -0.90 1.51 2.47 -0.82 0.64 114.38 117.39 2klb h ARG 106 Ca 0.24 0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 59.01 2klb h ARG 106 Cb -0.04 0.18 -0.04 0.00 -1.65 0.00 0.00 29.97 28.42 2klb h ARG 106 CO -0.05 -0.53 0.56 -0.91 0.56 0.00 0.00 179.97 179.60 2klb h ASN 107 N -1.15 1.07 1.37 7.04 4.21 -1.08 -2.00 115.58 125.04 2klb h ASN 107 Ca -0.08 -0.05 -0.08 0.00 1.21 0.00 0.00 56.30 57.29 2klb h ASN 107 Cb 0.64 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 37.56 2klb h ASN 107 CO 0.14 0.81 -0.39 -0.07 -1.29 0.00 0.00 177.43 176.63 2klb h LEU 108 N 1.24 0.00 -1.99 1.61 3.38 -1.19 -3.48 115.31 114.88 2klb h LEU 108 Ca 0.33 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.09 2klb h LEU 108 Cb -0.08 0.00 0.12 0.00 0.09 0.00 0.00 40.66 40.79 2klb h LEU 108 CO -0.06 0.39 -0.53 0.61 0.09 0.00 0.00 178.44 178.94 2klb n GLY 109 N 0.91 -0.19 3.89 0.83 0.00 0.16 -4.96 105.19 105.83 2klb n GLY 109 Ca 0.02 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -4.83 3.47 -0.47 0.99 1.43 -0.88 -4.88 118.68 113.51 2klb s LEU 110 Ca 0.08 1.13 -0.29 0.00 -1.03 0.00 0.00 54.13 54.02 2klb s LEU 110 Cb -0.01 -4.12 0.03 0.00 0.03 0.00 0.00 46.19 42.12 2klb s LEU 110 CO 0.49 -0.69 1.16 -0.89 0.23 0.00 0.00 176.35 176.65 2klb s THR 111 N -2.91 4.18 -0.05 5.49 2.01 -1.11 -4.98 115.64 118.27 2klb s THR 111 Ca 0.51 1.20 0.00 0.00 0.31 0.00 0.00 61.69 63.71 2klb s THR 111 Cb -0.11 -4.58 -0.03 0.00 0.01 0.00 0.00 72.50 67.79 2klb s THR 111 CO 0.48 -1.00 -0.02 0.42 -0.69 0.00 0.00 174.62 173.81 2klb s THR 112 N 4.54 4.04 0.00 -0.82 -4.23 -1.26 -0.70 115.64 117.21 2klb s THR 112 Ca 0.49 -0.45 0.00 0.00 -1.18 0.00 0.00 61.69 60.55 2klb s THR 112 Cb -0.07 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 71.05 2klb s THR 112 CO 0.32 0.53 0.05 0.00 -0.54 0.00 0.00 174.62 174.97 2klb n ALA 113 N 1.92 0.00 -3.36 3.99 0.00 -1.12 -4.96 120.51 116.97 2klb n ALA 113 Ca -0.17 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.12 2klb n ALA 113 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 2klb n ALA 113 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2klb s PHE 114 N -0.09 -0.53 -1.54 0.00 -0.71 -1.23 -4.98 117.98 108.89 2klb s PHE 114 Ca 0.00 -0.31 0.08 0.00 -1.04 0.00 0.00 56.93 55.67 2klb s PHE 114 Cb 0.00 -0.37 0.30 0.00 -1.21 0.00 0.00 43.02 41.74 2klb s PHE 114 CO 0.00 -0.96 1.16 -0.35 -1.34 0.00 0.00 175.22 173.73 2klb n PRO 115 N 4.92 2.04 -2.16 1.99 -0.04 -1.26 -4.42 135.00 136.08 2klb n PRO 115 Ca 0.03 -1.19 -0.37 0.00 -0.04 0.00 0.00 63.50 61.93 2klb n PRO 115 Cb 0.47 -1.44 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 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 0.36 3.07 -1.74 0.55 0.00 -1.26 -4.93 120.51 116.56 2klb n ALA 116 Ca 0.11 -3.49 -0.43 0.00 0.00 0.00 0.00 53.44 49.63 2klb n ALA 116 Cb 0.40 -3.56 -0.03 0.00 0.00 0.00 0.00 19.45 16.26 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 6.78 3.17 -0.32 0.00 2.07 -1.26 -4.87 121.20 126.76 2klb s ILE 117 Ca 0.59 0.18 0.18 0.00 -1.41 0.00 0.00 60.65 60.19 2klb s ILE 117 Cb 0.04 -3.19 0.46 0.00 0.13 0.00 0.00 42.46 39.90 2klb s ILE 117 CO 0.09 -0.10 0.96 0.54 -1.91 0.00 0.00 174.94 174.52 2klb n ARG 118 N 8.33 1.15 -3.07 3.50 1.74 -1.26 -5.05 116.66 122.00 2klb n ARG 118 Ca 0.25 -3.22 -0.41 0.00 -0.77 0.00 0.00 57.85 53.70 2klb n ARG 118 Cb 0.44 -1.22 -0.06 0.00 -1.02 0.00 0.00 32.46 30.61 2klb n ARG 118 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2klb s ILE 119 N -3.05 4.88 0.25 0.55 1.09 -1.26 -4.95 121.20 118.71 2klb s ILE 119 Ca 0.27 0.83 -0.04 0.00 -1.10 0.00 0.00 60.65 60.61 2klb s ILE 119 Cb 0.46 -4.06 0.22 0.00 -1.06 0.00 0.00 42.46 38.02 2klb s ILE 119 CO 0.04 -0.23 1.83 0.07 -0.10 0.00 0.00 174.94 176.54 2klb h LYS 120 N 8.28 0.87 0.00 2.79 2.10 -1.99 -3.42 116.57 125.20 2klb h LYS 120 Ca -0.26 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 2klb h LYS 120 Cb 1.11 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 32.24 2klb h LYS 120 CO 0.83 0.57 0.00 0.94 -2.00 0.00 0.00 179.45 179.80 2klb n GLN 121 N -4.67 0.00 -4.66 0.07 7.27 -1.26 -5.02 117.38 109.10 2klb n GLN 121 Ca 0.14 0.00 -0.24 0.00 0.07 0.00 0.00 57.00 56.97 2klb n GLN 121 Cb 0.24 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 32.75 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 -2.00 1.37 0.56 1.69 -4.23 -1.26 -4.62 115.64 107.16 2klb s THR 122 Ca 0.00 -0.91 -0.20 0.00 -1.18 0.00 0.00 61.69 59.40 2klb s THR 122 Cb 0.00 -1.17 -0.04 0.00 1.34 0.00 0.00 72.50 72.62 2klb s THR 122 CO 0.00 0.25 1.26 -2.16 -0.54 0.00 0.00 174.62 173.43 2klb s PRO 123 N -0.76 3.09 0.69 3.99 0.04 -1.26 -5.03 135.00 135.76 2klb s PRO 123 Ca 0.06 1.97 -0.03 0.00 0.04 0.00 0.00 61.00 63.04 2klb s PRO 123 Cb -0.07 -2.09 0.14 0.00 0.04 0.00 0.00 34.50 32.52 2klb s PRO 123 CO 0.00 -1.15 0.94 0.25 0.04 0.00 0.00 177.00 177.09 2klb n THR 124 N -1.29 0.00 -0.29 1.26 -2.24 -1.26 -4.96 114.28 105.50 2klb n THR 124 Ca 0.12 -1.31 0.04 0.00 -2.27 0.00 0.00 64.05 60.63 2klb n THR 124 Cb 0.48 -1.05 0.18 0.00 -2.10 0.00 0.00 70.33 67.84 2klb n THR 124 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2klb h GLU 125 N 0.00 0.71 -1.00 -0.78 4.81 -2.04 -2.68 114.58 113.60 2klb h GLU 125 Ca -0.31 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 58.89 2klb h GLU 125 Cb 1.09 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 30.26 2klb h GLU 125 CO 0.31 0.47 0.67 -0.91 -0.73 0.00 0.00 179.01 178.82 2klb h ASN 126 N 0.73 1.15 -0.84 1.04 4.21 -2.02 -2.72 115.58 117.15 2klb h ASN 126 Ca 0.42 -0.03 0.23 0.00 1.21 0.00 0.00 56.30 58.13 2klb h ASN 126 Cb 0.45 -0.29 -0.04 0.00 -1.12 0.00 0.00 38.32 37.33 2klb h ASN 126 CO -0.28 0.83 0.59 0.74 -1.29 0.00 0.00 177.43 178.02 2klb h THR 127 N 1.36 0.60 -0.92 2.81 2.02 -1.84 0.25 112.91 117.19 2klb h THR 127 Ca 0.37 -0.02 0.04 0.00 0.77 0.00 0.00 66.41 67.57 2klb h THR 127 Cb -0.16 0.53 -0.06 0.00 -1.74 0.00 0.00 68.15 66.73 2klb h THR 127 CO -0.08 0.01 0.59 1.88 0.37 0.00 0.00 175.52 178.29 2klb h TYR 128 N 0.06 1.10 0.00 3.16 -1.99 -1.61 -1.78 116.97 115.91 2klb h TYR 128 Ca 0.40 0.03 -0.16 0.00 2.00 0.00 0.00 58.73 61.01 2klb h TYR 128 Cb 1.51 -0.36 -0.02 0.00 2.00 0.00 0.00 36.73 39.86 2klb h TYR 128 CO -0.00 0.61 -0.91 0.87 -0.00 0.00 0.00 178.16 178.74 2klb h LYS 129 N 1.12 0.00 -0.84 4.88 1.57 -0.71 -0.71 116.57 121.88 2klb h LYS 129 Ca 0.38 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.17 2klb h LYS 129 Cb 0.05 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 2klb h LYS 129 CO -0.14 0.57 0.55 -0.07 -0.57 0.00 0.00 179.45 179.80 2klb h LEU 130 N 0.00 0.95 0.17 2.94 -0.00 -0.90 -1.58 115.31 116.88 2klb h LEU 130 Ca -0.06 -0.02 -0.31 0.00 -0.00 0.00 0.00 57.88 57.49 2klb h LEU 130 Cb 1.57 -0.23 0.01 0.00 -0.00 0.00 0.00 40.66 42.01 2klb h LEU 130 CO 0.08 0.68 -1.44 0.00 -0.00 0.00 0.00 178.44 177.75 2klb n GLU 132 N -3.57 0.00 -0.14 0.00 2.13 -0.27 -0.90 120.64 117.89 2klb n GLU 132 Ca -0.15 0.64 -0.08 0.00 0.66 0.00 0.00 57.16 58.23 2klb n GLU 132 Cb 1.06 -1.43 0.06 0.00 0.27 0.00 0.00 31.44 31.40 2klb n GLU 132 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2klb h GLU 133 N 0.00 0.91 0.38 5.31 4.39 -1.49 -1.46 114.58 122.61 2klb h GLU 133 Ca 0.00 -0.33 -0.02 0.00 0.34 0.00 0.00 59.36 59.35 2klb h GLU 133 Cb 0.00 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 2klb h GLU 133 CO 0.00 0.98 -0.18 0.00 -1.16 0.00 0.00 179.01 178.65 2klb h ALA 134 N 1.04 -0.51 -0.65 3.43 0.00 -1.61 0.96 119.26 121.92 2klb h ALA 134 Ca 0.13 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2klb h ALA 134 Cb 0.66 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 2klb h ALA 134 CO 0.05 -0.70 0.42 0.78 0.00 0.00 0.00 179.25 179.79 2klb h GLY 135 N -0.67 0.93 0.98 0.00 0.00 -1.02 -1.09 103.07 102.20 2klb h GLY 135 Ca -0.05 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 2klb h GLY 135 CO 0.09 0.29 0.12 -0.84 0.00 0.00 0.00 176.54 176.20 2klb h THR 136 N 0.84 1.24 -0.41 4.70 2.02 -1.23 -0.90 112.91 119.17 2klb h THR 136 Ca 0.25 -0.86 -0.03 0.00 0.77 0.00 0.00 66.41 66.54 2klb h THR 136 Cb -0.04 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 2klb h THR 136 CO -0.08 0.31 0.14 -0.78 0.37 0.00 0.00 175.52 175.48 2klb h ASP 137 N 0.69 0.59 -0.90 4.18 3.58 -0.54 0.13 116.42 124.15 2klb h ASP 137 Ca 0.16 -0.20 0.01 0.00 0.42 0.00 0.00 57.03 57.42 2klb h ASP 137 Cb 0.34 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.19 2klb h ASP 137 CO 0.00 0.62 0.59 -0.07 -2.88 0.00 0.00 179.24 177.51 2klb h LEU 138 N 0.51 1.04 -0.71 2.28 3.38 -1.13 -0.03 115.31 120.65 2klb h LEU 138 Ca 0.13 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.08 2klb h LEU 138 Cb 0.24 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 2klb h LEU 138 CO -0.01 0.76 0.47 1.23 0.09 0.00 0.00 178.44 180.98 2klb h GLY 139 N 1.23 1.01 1.53 0.83 0.00 -0.59 -1.67 103.07 105.40 2klb h GLY 139 Ca 0.33 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 2klb h GLY 139 CO -0.07 0.35 0.10 1.46 0.00 0.00 0.00 176.54 178.38 2klb h GLN 140 N 0.94 0.60 -0.61 4.80 4.20 -0.21 -2.65 115.11 122.18 2klb h GLN 140 Ca 0.27 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 2klb h GLN 140 Cb -0.08 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 2klb h GLN 140 CO -0.07 0.55 0.25 2.35 -0.67 0.00 0.00 178.83 181.24 2klb h TRP 141 N 0.59 0.92 -0.15 2.96 2.91 -0.35 0.55 115.95 123.37 2klb h TRP 141 Ca 0.14 -0.07 0.03 0.00 1.13 0.00 0.00 58.89 60.12 2klb h TRP 141 Cb 0.22 -0.28 -0.03 0.00 -0.51 0.00 0.00 29.16 28.56 2klb h TRP 141 CO 0.01 0.72 -0.03 0.28 -1.03 0.00 0.00 178.44 178.39 2klb h VAL 142 N 0.84 0.85 0.00 2.65 2.07 -0.99 -0.28 116.25 121.40 2klb h VAL 142 Ca 0.20 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.72 2klb h VAL 142 Cb 0.19 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2klb h VAL 142 CO -0.02 0.00 0.00 1.07 0.02 0.00 0.00 177.57 178.64 2klb n THR 143 N -5.17 0.34 0.14 2.57 5.66 -1.06 -2.32 114.28 114.45 2klb n THR 143 Ca -0.03 -0.02 -0.07 0.00 -3.05 0.00 0.00 64.05 60.88 2klb n THR 143 Cb 0.10 -0.64 -0.03 0.00 -1.55 0.00 0.00 70.33 68.21 2klb n THR 143 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 2klb h ARG 144 N 0.00 -0.41 -0.82 1.09 2.43 0.11 -1.63 114.38 115.15 2klb h ARG 144 Ca 0.00 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2klb h ARG 144 Cb 0.51 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.12 2klb h ARG 144 CO 0.00 -0.27 0.35 0.22 -1.51 0.00 0.00 179.97 178.76 2klb h ASP 145 N -0.96 1.11 0.07 -3.80 3.58 -1.14 -1.60 116.42 113.68 2klb h ASP 145 Ca -0.04 -0.16 -0.25 0.00 0.42 0.00 0.00 57.03 56.99 2klb h ASP 145 Cb 0.33 -0.29 0.02 0.00 1.72 0.00 0.00 39.33 41.10 2klb h ASP 145 CO 0.07 0.97 -0.99 0.03 -2.88 0.00 0.00 179.24 176.43 2klb h ARG 146 N 1.19 0.64 0.00 0.28 3.08 -1.63 -3.45 114.38 114.49 2klb h ARG 146 Ca 0.28 -0.67 0.00 0.00 0.07 0.00 0.00 59.98 59.66 2klb h ARG 146 Cb 0.18 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2klb h ARG 146 CO -0.03 1.27 0.00 1.28 -1.07 0.00 0.00 179.97 181.42 2klb n LEU 147 N -3.83 0.00 0.23 3.04 7.99 -0.70 -5.07 117.00 118.65 2klb n LEU 147 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.90 2klb n LEU 147 Cb 0.86 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.17 2klb n LEU 147 CO 0.54 0.00 0.00 -0.62 -1.51 0.00 0.00 177.39 175.80 2klb n GLU 148 N -0.12 0.00 0.00 3.23 1.02 -0.62 -4.92 120.64 119.24 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 -3.47 -1.34 -2.86 -0.32 -0.00 -1.24 -4.42 115.22 101.58 2klb n HIS 149 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.75 2klb n HIS 149 Cb 0.00 0.41 0.01 0.00 -0.00 0.00 0.00 29.99 30.40 2klb n HIS 149 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2klb s HIS 150 N -1.82 -0.22 0.41 1.57 5.65 -1.26 -4.04 115.29 115.57 2klb s HIS 150 Ca 0.00 0.07 0.00 0.00 0.25 0.00 0.00 55.06 55.38 2klb s HIS 150 Cb 0.00 0.04 0.00 0.00 -1.18 0.00 0.00 32.58 31.44 2klb s HIS 150 CO 0.00 -0.14 0.00 1.58 -0.65 0.00 0.00 174.74 175.53 2klb n HIS 151 N 4.09 -2.89 -2.50 3.88 -0.00 -1.26 -4.86 115.22 111.67 2klb n HIS 151 Ca 0.07 1.57 -0.41 0.00 -0.00 0.00 0.00 57.72 58.95 2klb n HIS 151 Cb 0.62 -2.60 -0.04 0.00 -0.00 0.00 0.00 29.99 27.98 2klb n HIS 151 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2klb s HIS 152 N -4.82 3.57 0.00 1.57 0.09 -1.26 -4.92 115.29 109.52 2klb s HIS 152 Ca 0.00 1.55 0.00 0.00 -0.00 0.00 0.00 55.06 56.61 2klb s HIS 152 Cb 0.00 -3.30 0.00 0.00 -0.00 0.00 0.00 32.58 29.28 2klb s HIS 152 CO 0.00 -0.71 0.00 -2.39 -0.00 0.00 0.00 174.74 171.64 2klb n HIS 153 N 2.68 0.00 -1.24 1.40 1.44 -1.26 -5.24 115.22 112.99 2klb n HIS 153 Ca 0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.75 2klb n HIS 153 Cb 0.46 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.57 2klb n HIS 153 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14