#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2klb n ILE 2 N 0.00-12.06 -2.59 2.46 2.08 -1.26 -0.23 119.36 107.75 2klb n ILE 2 Ca 0.00 1.96 -0.42 0.00 0.56 0.00 0.00 62.75 64.85 2klb n ILE 2 Cb 0.00 -6.85 -0.03 0.00 -0.75 0.00 0.00 39.64 32.02 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 -1.51 1.09 -0.50 7.39 0.00 0.81 -1.74 107.32 112.86 2klb s GLY 3 Ca -0.04 -0.99 -0.24 0.00 0.00 0.00 0.00 44.72 43.46 2klb s GLY 3 CO 0.78 2.51 0.87 -1.34 0.00 0.00 0.00 173.10 175.91 2klb s VAL 4 N 5.06 4.52 -0.28 1.40 -7.23 -0.36 -1.77 120.40 121.74 2klb s VAL 4 Ca 0.40 0.35 -0.09 0.00 -1.81 0.00 0.00 61.98 60.83 2klb s VAL 4 Cb -0.08 -4.44 -0.02 0.00 0.56 0.00 0.00 36.38 32.40 2klb s VAL 4 CO 0.22 -0.92 0.12 -0.36 -0.31 0.00 0.00 175.10 173.86 2klb s PHE 5 N 3.62 3.15 0.33 2.82 0.08 -0.13 -2.23 117.98 125.62 2klb s PHE 5 Ca 0.30 -0.37 -0.08 0.00 0.12 0.00 0.00 56.93 56.90 2klb s PHE 5 Cb -0.12 -2.31 0.01 0.00 -0.57 0.00 0.00 43.02 40.03 2klb s PHE 5 CO 0.21 -0.35 0.56 1.52 -0.10 0.00 0.00 175.22 177.06 2klb s TYR 6 N 1.64 0.64 -0.41 0.36 1.13 -1.19 -1.01 117.35 118.52 2klb s TYR 6 Ca 0.06 -1.02 -0.07 0.00 -1.41 0.00 0.00 57.07 54.63 2klb s TYR 6 Cb -0.16 0.23 0.08 0.00 -1.10 0.00 0.00 41.96 41.01 2klb s TYR 6 CO 0.06 -1.22 0.22 0.08 -2.51 0.00 0.00 175.55 172.18 2klb s VAL 7 N -3.09 3.87 0.07 -3.49 1.01 -1.26 -1.48 120.40 116.03 2klb s VAL 7 Ca 0.24 -1.57 -0.33 0.00 0.00 0.00 0.00 61.98 60.33 2klb s VAL 7 Cb -0.02 -3.43 -0.19 0.00 0.00 0.00 0.00 36.38 32.75 2klb s VAL 7 CO 0.15 -0.52 1.62 0.77 0.00 0.00 0.00 175.10 177.13 2klb h SER 8 N 8.28 -0.80 -0.69 3.32 4.64 -1.94 -3.24 113.55 123.12 2klb h SER 8 Ca -0.20 0.03 0.02 0.00 -0.47 0.00 0.00 61.79 61.17 2klb h SER 8 Cb 1.07 0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 63.34 2klb h SER 8 CO 0.72 -0.55 0.45 -0.08 -0.87 0.00 0.00 176.83 176.50 2klb h GLU 9 N -0.91 0.86 -6.15 4.77 4.81 -1.98 -3.34 114.58 112.64 2klb h GLU 9 Ca -0.09 -0.05 -0.57 0.00 -0.13 0.00 0.00 59.36 58.52 2klb h GLU 9 Cb 0.70 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 2klb h GLU 9 CO 0.14 0.57 0.82 -0.47 -0.73 0.00 0.00 179.01 179.34 2klb s TYR 10 N -6.13 3.11 0.00 0.92 5.04 -1.22 -4.87 117.35 114.19 2klb s TYR 10 Ca -0.13 1.23 0.00 0.00 -2.44 0.00 0.00 57.07 55.73 2klb s TYR 10 Cb 0.15 -3.39 0.00 0.00 0.35 0.00 0.00 41.96 39.07 2klb s TYR 10 CO 0.77 -1.13 0.00 0.41 -1.34 0.00 0.00 175.55 174.26 2klb n GLY 11 N 3.44 0.44 0.12 8.97 0.00 -1.26 -3.44 105.19 113.47 2klb n GLY 11 Ca 0.13 -0.83 0.04 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.43 0.07 -0.31 1.61 4.01 -1.26 -4.48 117.16 116.37 2klb n TYR 12 Ca 0.00 -0.04 0.16 0.00 -0.16 0.00 0.00 57.90 57.86 2klb n TYR 12 Cb 0.00 0.00 0.33 0.00 -0.31 0.00 0.00 39.34 39.36 2klb n TYR 12 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2klb h SER 13 N 0.42 0.01 0.12 7.72 0.02 -1.79 0.28 113.55 120.34 2klb h SER 13 Ca 0.00 0.21 -0.20 0.00 -0.84 0.00 0.00 61.79 60.96 2klb h SER 13 Cb 0.09 0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.92 2klb h SER 13 CO 0.00 -0.21 -0.76 -2.24 -1.14 0.00 0.00 176.83 172.49 2klb h ASP 14 N 0.17 0.64 -0.87 3.07 2.03 -1.73 -0.41 116.42 119.32 2klb h ASP 14 Ca 0.60 -0.43 -0.01 0.00 -0.73 0.00 0.00 57.03 56.47 2klb h ASP 14 Cb 1.28 -0.19 -0.04 0.00 -0.83 0.00 0.00 39.33 39.55 2klb h ASP 14 CO -0.70 1.19 0.51 0.03 -1.03 0.00 0.00 179.24 179.23 2klb h ARG 15 N 0.36 1.20 -0.49 4.15 2.47 -0.91 0.77 114.38 121.94 2klb h ARG 15 Ca -0.04 -0.12 -0.09 0.00 -1.26 0.00 0.00 59.98 58.47 2klb h ARG 15 Cb 1.35 -0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 29.41 2klb h ARG 15 CO 0.14 0.86 -0.04 -0.07 0.56 0.00 0.00 179.97 181.42 2klb h LEU 16 N 1.21 0.88 -1.13 3.04 3.38 -0.69 -1.53 115.31 120.47 2klb h LEU 16 Ca 0.31 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2klb h LEU 16 Cb -0.01 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 2klb h LEU 16 CO -0.05 1.00 0.58 0.00 0.09 0.00 0.00 178.44 180.05 2klb h ALA 17 N 0.91 1.37 0.00 1.53 0.00 -0.59 -1.22 119.26 121.26 2klb h ALA 17 Ca 0.13 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2klb h ALA 17 Cb 0.57 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2klb h ALA 17 CO 0.03 0.59 -0.36 0.37 0.00 0.00 0.00 179.25 179.88 2klb h GLN 18 N 1.19 0.00 -0.57 0.00 4.15 -0.63 -0.42 115.11 118.84 2klb h GLN 18 Ca 0.32 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.68 2klb h GLN 18 Cb -0.13 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.53 2klb h GLN 18 CO -0.07 0.36 0.11 0.00 -1.93 0.00 0.00 178.83 177.30 2klb h ALA 19 N 1.64 1.13 0.27 3.38 0.00 -0.20 0.34 119.26 125.82 2klb h ALA 19 Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2klb h ALA 19 Cb 0.75 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2klb h ALA 19 CO 0.05 0.58 -0.13 0.82 0.00 0.00 0.00 179.25 180.57 2klb h ILE 20 N 0.85 0.78 -0.67 0.00 2.04 -0.62 -2.97 117.51 116.92 2klb h ILE 20 Ca 0.18 -0.30 0.13 0.00 1.00 0.00 0.00 64.86 65.87 2klb h ILE 20 Cb 0.35 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 2klb h ILE 20 CO 0.00 0.07 0.45 0.40 0.00 0.00 0.00 178.15 179.07 2klb h ILE 21 N -0.51 0.83 0.37 -0.67 2.04 -0.87 -1.62 117.51 117.07 2klb h ILE 21 Ca -0.04 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 2klb h ILE 21 Cb 0.38 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 2klb h ILE 21 CO 0.06 0.07 -0.51 -1.13 0.00 0.00 0.00 178.15 176.63 2klb h ASN 22 N 0.36 -1.46 -0.74 1.72 -1.24 -0.15 0.97 115.58 115.03 2klb h ASN 22 Ca 0.32 0.13 -0.06 0.00 0.71 0.00 0.00 56.30 57.40 2klb h ASN 22 Cb 0.75 0.50 -0.03 0.00 0.73 0.00 0.00 38.32 40.28 2klb h ASN 22 CO -0.09 -0.63 0.23 1.23 -1.29 0.00 0.00 177.43 176.88 2klb h GLY 23 N -0.92 1.24 0.96 1.57 0.00 -1.37 -0.43 103.07 104.11 2klb h GLY 23 Ca -0.04 -0.73 -0.00 0.00 0.00 0.00 0.00 47.33 46.55 2klb h GLY 23 CO -0.14 0.69 -0.03 -2.22 0.00 0.00 0.00 176.54 174.84 2klb h ILE 24 N 1.10 0.97 -0.41 2.60 2.04 -1.16 0.15 117.51 122.80 2klb h ILE 24 Ca 0.24 -0.09 -0.12 0.00 1.00 0.00 0.00 64.86 65.89 2klb h ILE 24 Cb 0.31 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 2klb h ILE 24 CO -0.01 0.02 -0.23 0.71 0.00 0.00 0.00 178.15 178.65 2klb h THR 25 N -0.12 1.27 -0.38 -0.27 1.35 -0.78 0.88 112.91 114.87 2klb h THR 25 Ca -0.01 -1.36 0.03 0.00 -0.55 0.00 0.00 66.41 64.53 2klb h THR 25 Cb 0.10 1.20 -0.02 0.00 -1.73 0.00 0.00 68.15 67.69 2klb h THR 25 CO 0.01 0.46 0.25 0.50 -0.25 0.00 0.00 175.52 176.49 2klb h LYS 26 N 0.73 0.36 0.12 4.72 3.64 -0.93 -1.89 116.57 123.32 2klb h LYS 26 Ca 0.10 -0.02 -0.27 0.00 -1.27 0.00 0.00 60.65 59.19 2klb h LYS 26 Cb 0.76 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2klb h LYS 26 CO 0.06 0.24 -1.21 1.15 -2.27 0.00 0.00 179.45 177.42 2klb h THR 27 N 0.37 1.48 0.00 1.00 2.02 -0.50 -3.49 112.91 113.79 2klb h THR 27 Ca 0.16 -2.96 0.00 0.00 0.77 0.00 0.00 66.41 64.37 2klb h THR 27 Cb 0.16 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.45 2klb h THR 27 CO -0.04 0.87 0.00 0.61 0.37 0.00 0.00 175.52 177.33 2klb n GLY 28 N 1.46 1.78 3.55 2.16 0.00 0.17 -5.10 105.19 109.21 2klb n GLY 28 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 3.94 -0.36 1.61 1.01 -0.43 -5.00 120.40 119.17 2klb s VAL 29 Ca 0.00 -0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.33 2klb s VAL 29 Cb 0.00 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.70 2klb s VAL 29 CO 0.00 0.54 1.32 -0.83 0.00 0.00 0.00 175.10 176.13 2klb s GLY 30 N -0.12 1.27 -0.09 4.51 0.00 -1.26 -4.29 107.32 107.34 2klb s GLY 30 Ca 0.03 -0.06 -0.07 0.00 0.00 0.00 0.00 44.72 44.61 2klb s GLY 30 CO 0.02 2.63 0.18 0.54 0.00 0.00 0.00 173.10 176.47 2klb s VAL 31 N 4.76 5.45 -0.43 1.40 0.11 -1.25 0.13 120.40 130.56 2klb s VAL 31 Ca 0.57 0.23 -0.17 0.00 -2.93 0.00 0.00 61.98 59.68 2klb s VAL 31 Cb -0.14 -3.45 0.03 0.00 -1.53 0.00 0.00 36.38 31.28 2klb s VAL 31 CO 0.27 0.57 0.46 -1.81 -3.33 0.00 0.00 175.10 171.27 2klb s ASP 32 N -1.16 6.20 -0.32 3.54 1.01 0.68 -4.67 116.67 121.95 2klb s ASP 32 Ca 0.18 -0.72 -0.15 0.00 0.71 0.00 0.00 52.55 52.57 2klb s ASP 32 Cb -0.13 -2.23 -0.02 0.00 1.01 0.00 0.00 42.92 41.55 2klb s ASP 32 CO 0.07 -0.62 0.35 -0.69 0.21 0.00 0.00 175.17 174.49 2klb s VAL 33 N 2.18 5.18 -0.11 -1.27 1.01 -1.26 -1.22 120.40 124.91 2klb s VAL 33 Ca 0.12 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.28 2klb s VAL 33 Cb -0.17 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.47 2klb s VAL 33 CO 0.13 0.00 -0.05 -0.69 0.00 0.00 0.00 175.10 174.50 2klb s VAL 34 N 2.01 0.83 -0.57 2.92 1.01 -0.95 -4.98 120.40 120.67 2klb s VAL 34 Ca 0.12 -0.20 -0.24 0.00 0.00 0.00 0.00 61.98 61.66 2klb s VAL 34 Cb -0.16 -0.91 0.04 0.00 0.00 0.00 0.00 36.38 35.35 2klb s VAL 34 CO 0.11 0.30 0.98 -0.62 0.00 0.00 0.00 175.10 175.87 2klb s ASP 35 N 1.79 6.33 0.00 3.32 2.15 -1.26 -3.19 116.67 125.81 2klb s ASP 35 Ca 0.05 -0.35 0.25 0.00 0.43 0.00 0.00 52.55 52.92 2klb s ASP 35 Cb -0.13 -2.45 1.08 0.00 -0.30 0.00 0.00 42.92 41.12 2klb s ASP 35 CO -0.07 -1.28 1.81 0.00 -0.17 0.00 0.00 175.17 175.45 2klb n LEU 36 N 7.62 0.00 0.06 -1.34 -0.00 -0.55 -0.62 117.00 122.18 2klb n LEU 36 Ca 0.02 0.50 0.09 0.00 -0.00 0.00 0.00 56.01 56.62 2klb n LEU 36 Cb 0.47 -0.50 0.39 0.00 -0.00 0.00 0.00 43.42 43.79 2klb n LEU 36 CO 0.65 -0.07 0.79 0.61 -0.00 0.00 0.00 177.39 179.37 2klb n GLY 37 N 1.11 -1.12 1.65 1.47 0.00 -1.17 -4.56 105.19 102.56 2klb n GLY 37 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.63 0.12 -2.29 4.61 0.00 -1.19 -5.03 120.51 115.09 2klb n ALA 38 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.05 2klb n ALA 38 Cb 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.63 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 -2.32 3.81 -2.22 0.00 0.00 0.21 -4.69 120.51 115.29 2klb n ALA 39 Ca 0.00 -3.76 -0.27 0.00 0.00 0.00 0.00 53.44 49.41 2klb n ALA 39 Cb 0.00 -3.58 0.01 0.00 0.00 0.00 0.00 19.45 15.88 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 6.24 2.56 -2.24 0.00 0.24 -1.26 -4.48 118.33 119.39 2klb n VAL 40 Ca 0.49 -4.54 -0.35 0.00 -2.04 0.00 0.00 64.34 57.89 2klb n VAL 40 Cb 0.44 -1.21 0.00 0.00 -1.47 0.00 0.00 33.84 31.60 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 -3.34 5.75 0.39 -1.34 -1.08 -1.26 -4.85 116.67 110.94 2klb s ASP 41 Ca 0.50 2.22 0.07 0.00 -0.52 0.00 0.00 52.55 54.82 2klb s ASP 41 Cb 0.41 -2.59 0.81 0.00 -1.46 0.00 0.00 42.92 40.09 2klb s ASP 41 CO -0.11 -1.20 2.00 -0.07 0.52 0.00 0.00 175.17 176.32 2klb h LEU 42 N 1.32 0.56 -0.81 -1.34 -0.00 -1.99 -0.68 115.31 112.37 2klb h LEU 42 Ca -0.50 -0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.34 2klb h LEU 42 Cb 1.26 -0.13 -0.04 0.00 -0.00 0.00 0.00 40.66 41.76 2klb h LEU 42 CO 0.57 0.38 0.35 1.56 -0.00 0.00 0.00 178.44 181.30 2klb h GLN 43 N 0.65 1.19 0.00 1.13 4.20 -1.99 -1.60 115.11 118.69 2klb h GLN 43 Ca 0.24 -0.20 -0.11 0.00 0.06 0.00 0.00 58.65 58.64 2klb h GLN 43 Cb 0.14 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2klb h GLN 43 CO -0.07 0.95 -0.51 1.49 -0.67 0.00 0.00 178.83 180.03 2klb h GLU 44 N 1.17 0.00 -0.29 1.46 4.57 -1.55 0.12 114.58 120.06 2klb h GLU 44 Ca 0.27 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.45 2klb h GLU 44 Cb 0.18 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 2klb h GLU 44 CO -0.03 0.51 0.17 1.25 -1.18 0.00 0.00 179.01 179.73 2klb h LEU 45 N 0.00 0.35 -0.86 1.64 7.12 -0.65 1.25 115.31 124.15 2klb h LEU 45 Ca -0.01 -0.05 -0.03 0.00 0.13 0.00 0.00 57.88 57.92 2klb h LEU 45 Cb 0.91 -0.09 -0.04 0.00 -0.53 0.00 0.00 40.66 40.91 2klb h LEU 45 CO 0.07 0.30 0.42 -0.09 -0.13 0.00 0.00 178.44 179.00 2klb h ARG 46 N 0.37 1.24 0.00 1.25 1.12 -0.96 -2.68 114.38 114.72 2klb h ARG 46 Ca 0.10 -0.18 0.00 0.00 -1.11 0.00 0.00 59.98 58.79 2klb h ARG 46 Cb 0.01 -0.22 0.00 0.00 -0.01 0.00 0.00 29.97 29.75 2klb h ARG 46 CO -0.02 0.95 0.00 -1.91 -3.11 0.00 0.00 179.97 175.88 2klb n GLU 47 N -4.30 0.03 0.24 0.20 4.07 0.38 -3.66 120.64 117.59 2klb n GLU 47 Ca 0.09 0.03 0.11 0.00 -0.06 0.00 0.00 57.16 57.33 2klb n GLU 47 Cb 0.14 -1.54 0.72 0.00 -0.06 0.00 0.00 31.44 30.70 2klb n GLU 47 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2klb h LEU 48 N 0.00 0.00 -2.51 4.31 5.85 0.19 -1.42 115.31 121.74 2klb h LEU 48 Ca 0.00 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 2klb h LEU 48 Cb 0.53 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 2klb h LEU 48 CO 0.00 0.00 0.06 0.58 -0.34 0.00 0.00 178.44 178.74 2klb h VAL 49 N 0.00 0.37 0.12 1.05 2.07 -1.74 0.21 116.25 118.34 2klb h VAL 49 Ca 0.03 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.27 2klb h VAL 49 Cb 0.14 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2klb h VAL 49 CO -0.00 0.00 -1.31 1.23 0.02 0.00 0.00 177.57 177.51 2klb h GLY 50 N 0.00 0.29 1.27 2.17 0.00 -1.54 -3.35 103.07 101.91 2klb h GLY 50 Ca 0.02 -0.75 -0.14 0.00 0.00 0.00 0.00 47.33 46.46 2klb h GLY 50 CO -0.00 0.66 -0.31 3.21 0.00 0.00 0.00 176.54 180.10 2klb h ARG 51 N 0.07 0.82 0.00 4.80 -0.00 -0.76 -3.18 114.38 116.12 2klb h ARG 51 Ca -0.16 -0.38 0.00 0.00 -0.50 0.00 0.00 59.98 58.94 2klb h ARG 51 Cb 1.98 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 31.94 2klb h ARG 51 CO 0.19 1.01 0.00 0.00 0.00 0.00 0.00 179.97 181.17 2klb h THR 53 N 0.00 0.24 -2.54 0.00 1.35 -1.73 -3.43 112.91 106.81 2klb h THR 53 Ca 0.00 -0.22 -0.10 0.00 -0.55 0.00 0.00 66.41 65.54 2klb h THR 53 Cb 0.05 1.17 -0.24 0.00 -1.73 0.00 0.00 68.15 67.40 2klb h THR 53 CO 0.00 0.03 -0.16 -0.83 -0.25 0.00 0.00 175.52 174.31 2klb s GLY 54 N -4.16 -0.38 -0.23 5.82 0.00 -0.76 -4.77 107.32 102.86 2klb s GLY 54 Ca -0.03 1.47 -0.01 0.00 0.00 0.00 0.00 44.72 46.15 2klb s GLY 54 CO 0.50 1.36 -0.10 1.08 0.00 0.00 0.00 173.10 175.94 2klb s LEU 55 N 0.57 2.90 -0.28 0.66 1.43 -1.26 -0.14 118.68 122.55 2klb s LEU 55 Ca -0.02 -0.81 0.02 0.00 -1.03 0.00 0.00 54.13 52.29 2klb s LEU 55 Cb -0.04 -1.61 0.08 0.00 0.03 0.00 0.00 46.19 44.64 2klb s LEU 55 CO -0.03 -0.09 -0.01 -0.69 0.23 0.00 0.00 176.35 175.76 2klb s VAL 56 N 1.31 1.76 -0.28 -1.59 1.01 -0.73 -0.22 120.40 121.66 2klb s VAL 56 Ca 0.01 -1.66 -0.10 0.00 0.00 0.00 0.00 61.98 60.23 2klb s VAL 56 Cb -0.16 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 2klb s VAL 56 CO -0.07 -0.33 0.16 -0.63 0.00 0.00 0.00 175.10 174.23 2klb s ILE 57 N 1.23 5.00 -0.88 2.22 1.09 -0.21 -0.95 121.20 128.69 2klb s ILE 57 Ca 0.01 0.03 0.27 0.00 -1.10 0.00 0.00 60.65 59.87 2klb s ILE 57 Cb -0.19 -3.38 0.24 0.00 -1.06 0.00 0.00 42.46 38.06 2klb s ILE 57 CO -0.10 0.26 1.82 0.61 -0.10 0.00 0.00 174.94 177.43 2klb n GLY 58 N 5.02 -1.56 0.71 6.18 0.00 -0.18 -3.80 105.19 111.56 2klb n GLY 58 Ca -0.15 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2klb n GLY 58 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2klb n MET 59 N -1.82 -1.85 -3.73 1.61 1.56 -1.26 -4.21 117.12 107.41 2klb n MET 59 Ca 0.06 1.44 -0.13 0.00 -0.27 0.00 0.00 57.70 58.80 2klb n MET 59 Cb 0.38 -1.80 -0.10 0.00 2.15 0.00 0.00 33.22 33.85 2klb n MET 59 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 2klb s SER 60 N -4.07 -0.41 0.92 6.12 0.01 -1.26 -4.79 113.70 110.22 2klb s SER 60 Ca 0.00 0.76 -0.11 0.00 1.31 0.00 0.00 55.95 57.92 2klb s SER 60 Cb 0.00 0.79 0.15 0.00 0.21 0.00 0.00 66.02 67.17 2klb s SER 60 CO 0.00 -0.17 1.12 -2.16 0.41 0.00 0.00 173.24 172.44 2klb s PRO 61 N 0.10 0.98 0.34 12.44 0.04 -1.26 -4.44 135.00 143.21 2klb s PRO 61 Ca -0.01 1.33 0.15 0.00 0.04 0.00 0.00 61.00 62.50 2klb s PRO 61 Cb -0.03 -1.74 1.07 0.00 0.04 0.00 0.00 34.50 33.85 2klb s PRO 61 CO 0.01 -2.58 1.68 0.00 0.04 0.00 0.00 177.00 176.14 2klb h ALA 62 N -1.82 1.97 0.07 8.56 0.00 -1.40 0.21 119.26 126.85 2klb h ALA 62 Ca -0.46 0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.64 2klb h ALA 62 Cb 1.27 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 2klb h ALA 62 CO 0.45 -0.56 -0.16 0.00 0.00 0.00 0.00 179.25 178.98 2klb h ALA 63 N 1.81 -0.26 0.00 0.00 0.00 -1.90 -2.97 119.26 115.94 2klb h ALA 63 Ca 0.72 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.61 2klb h ALA 63 Cb 1.64 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.69 2klb h ALA 63 CO -0.57 -0.68 0.00 0.77 0.00 0.00 0.00 179.25 178.77 2klb h SER 64 N -0.31 0.00 0.29 0.00 0.02 -1.13 -3.25 113.55 109.17 2klb h SER 64 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2klb h SER 64 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2klb h SER 64 CO -0.11 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.58 2klb n ALA 65 N -2.06 1.33 -0.09 3.77 0.00 0.46 -3.03 120.51 120.89 2klb n ALA 65 Ca 0.04 0.04 -0.06 0.00 0.00 0.00 0.00 53.44 53.47 2klb n ALA 65 Cb 0.51 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.75 2klb n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2klb h ALA 66 N 2.20 0.24 -0.43 0.00 0.00 -1.64 -1.44 119.26 118.20 2klb h ALA 66 Ca 0.00 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2klb h ALA 66 Cb 0.15 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2klb h ALA 66 CO 0.00 -0.44 0.04 0.66 0.00 0.00 0.00 179.25 179.51 2klb h SER 67 N 0.03 0.70 0.12 0.00 4.64 -1.84 -2.73 113.55 114.47 2klb h SER 67 Ca 0.16 -0.28 0.02 0.00 -0.47 0.00 0.00 61.79 61.22 2klb h SER 67 Cb 0.23 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.09 2klb h SER 67 CO -0.31 0.80 -0.35 0.40 -0.87 0.00 0.00 176.83 176.51 2klb h ILE 68 N 0.57 0.27 0.00 0.95 2.04 -1.64 -1.40 117.51 118.31 2klb h ILE 68 Ca 0.13 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.99 2klb h ILE 68 Cb 0.42 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2klb h ILE 68 CO 0.01 0.00 -0.00 1.56 0.00 0.00 0.00 178.15 179.72 2klb h GLN 69 N -0.58 0.00 -0.14 2.37 7.50 -1.27 0.19 115.11 123.18 2klb h GLN 69 Ca 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.17 2klb h GLN 69 Cb 0.61 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.13 2klb h GLN 69 CO -0.20 0.00 0.05 0.78 -1.50 0.00 0.00 178.83 177.96 2klb h GLY 70 N 0.06 0.22 1.03 3.46 0.00 -0.93 -3.21 103.07 103.71 2klb h GLY 70 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2klb h GLY 70 CO 0.00 0.11 -0.94 0.00 0.00 0.00 0.00 176.54 175.72 2klb h ALA 71 N 0.90 0.52 -1.02 3.60 0.00 -1.29 -3.37 119.26 118.60 2klb h ALA 71 Ca 0.05 0.00 0.26 0.00 0.00 0.00 0.00 54.91 55.22 2klb h ALA 71 Cb 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 2klb h ALA 71 CO -0.00 0.00 0.67 1.25 0.00 0.00 0.00 179.25 181.17 2klb h LEU 72 N 0.00 0.34 -1.26 0.00 6.46 -0.64 -1.05 115.31 119.16 2klb h LEU 72 Ca 0.00 0.06 0.29 0.00 -0.12 0.00 0.00 57.88 58.10 2klb h LEU 72 Cb 0.97 -0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 40.79 2klb h LEU 72 CO 0.00 0.09 0.67 0.28 -0.62 0.00 0.00 178.44 178.85 2klb h SER 73 N 0.31 0.48 0.02 1.25 0.02 -1.73 -2.27 113.55 111.63 2klb h SER 73 Ca 0.55 0.11 -0.38 0.00 -0.84 0.00 0.00 61.79 61.23 2klb h SER 73 Cb 1.54 0.04 -0.07 0.00 0.14 0.00 0.00 62.40 64.06 2klb h SER 73 CO -0.21 0.04 -2.41 0.41 -1.14 0.00 0.00 176.83 173.52 2klb n THR 74 N -4.73 1.46 -0.28 -2.27 -1.04 -0.45 -4.58 114.28 102.39 2klb n THR 74 Ca 0.28 -0.69 0.10 0.00 -2.04 0.00 0.00 64.05 61.69 2klb n THR 74 Cb 0.92 -1.04 0.25 0.00 -1.82 0.00 0.00 70.33 68.64 2klb n THR 74 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2klb h ILE 75 N 0.00 0.45 -0.80 12.58 2.04 -0.83 0.18 117.51 131.13 2klb h ILE 75 Ca -0.56 -0.10 0.13 0.00 1.00 0.00 0.00 64.86 65.33 2klb h ILE 75 Cb 2.05 0.12 -0.06 0.00 -0.74 0.00 0.00 36.82 38.19 2klb h ILE 75 CO -0.03 0.06 0.53 -0.07 0.00 0.00 0.00 178.15 178.63 2klb h LEU 76 N 0.30 0.54 0.00 1.44 3.38 -1.76 -1.21 115.31 118.00 2klb h LEU 76 Ca 0.50 0.03 -0.24 0.00 0.09 0.00 0.00 57.88 58.26 2klb h LEU 76 Cb 0.92 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 2klb h LEU 76 CO -0.55 0.29 -1.30 1.23 0.09 0.00 0.00 178.44 178.20 2klb h GLY 77 N 0.58 0.00 2.00 0.83 0.00 -0.98 -3.33 103.07 102.17 2klb h GLY 77 Ca 0.39 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.62 2klb h GLY 77 CO -0.15 0.00 -0.48 1.76 0.00 0.00 0.00 176.54 177.67 2klb h SER 78 N 0.00 0.00 -3.00 0.19 0.02 -0.23 -3.45 113.55 107.09 2klb h SER 78 Ca -0.14 -0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.35 2klb h SER 78 Cb 1.84 -0.00 0.04 0.00 0.14 0.00 0.00 62.40 64.41 2klb h SER 78 CO 0.10 0.48 -0.01 0.68 -1.14 0.00 0.00 176.83 176.94 2klb s VAL 79 N -3.94 3.83 0.12 2.27 -7.23 -0.55 -4.86 120.40 110.04 2klb s VAL 79 Ca -0.02 -0.36 -0.07 0.00 -1.81 0.00 0.00 61.98 59.73 2klb s VAL 79 Cb 0.14 -3.45 -0.06 0.00 0.56 0.00 0.00 36.38 33.57 2klb s VAL 79 CO 0.74 -0.36 0.39 0.21 -0.31 0.00 0.00 175.10 175.77 2klb s ASN 80 N -4.25 6.54 0.03 4.85 3.84 -1.26 -4.97 114.94 119.72 2klb s ASN 80 Ca 0.50 0.66 -0.25 0.00 0.21 0.00 0.00 52.86 53.98 2klb s ASN 80 Cb -0.10 -2.12 -0.14 0.00 -0.55 0.00 0.00 41.25 38.34 2klb s ASN 80 CO 0.40 0.09 1.22 -0.08 -2.79 0.00 0.00 177.10 175.94 2klb h GLU 81 N 3.12 -0.87 -4.68 0.43 4.81 -1.93 -3.42 114.58 112.03 2klb h GLU 81 Ca -0.47 0.06 -0.68 0.00 -0.13 0.00 0.00 59.36 58.13 2klb h GLU 81 Cb 1.17 0.20 -0.20 0.00 0.63 0.00 0.00 28.75 30.56 2klb h GLU 81 CO 0.70 -0.58 -0.48 0.15 -0.73 0.00 0.00 179.01 178.07 2klb s LYS 82 N -4.73 3.39 0.14 1.92 1.02 -1.26 -2.85 119.74 117.36 2klb s LYS 82 Ca -0.13 -0.72 -0.08 0.00 0.02 0.00 0.00 55.97 55.06 2klb s LYS 82 Cb 0.01 -3.81 0.03 0.00 -0.52 0.00 0.00 37.83 33.54 2klb s LYS 82 CO 0.40 -0.49 0.41 0.94 -0.92 0.00 0.00 175.35 175.69 2klb n GLN 83 N 5.10 0.42 -4.53 1.68 -0.06 -0.91 -4.90 117.38 114.18 2klb n GLN 83 Ca -0.12 -0.87 -0.34 0.00 -2.00 0.00 0.00 57.00 53.67 2klb n GLN 83 Cb 0.49 1.12 -0.12 0.00 -4.06 0.00 0.00 30.24 27.66 2klb n GLN 83 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2klb s ALA 84 N -1.49 2.92 -0.06 1.69 0.00 -1.26 -1.01 121.76 122.55 2klb s ALA 84 Ca 0.09 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.25 2klb s ALA 84 Cb -0.02 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.69 2klb s ALA 84 CO 0.04 0.32 -0.24 0.14 0.00 0.00 0.00 175.76 176.01 2klb s VAL 85 N 0.05 2.10 -0.10 0.00 -7.23 -0.46 -4.42 120.40 110.35 2klb s VAL 85 Ca -0.01 -1.04 -0.24 0.00 -1.81 0.00 0.00 61.98 58.87 2klb s VAL 85 Cb -0.14 -1.77 -0.03 0.00 0.56 0.00 0.00 36.38 35.01 2klb s VAL 85 CO 0.03 0.57 0.75 -0.83 -0.31 0.00 0.00 175.10 175.31 2klb s GLY 86 N -0.10 2.45 0.04 2.32 0.00 0.69 -1.08 107.32 111.64 2klb s GLY 86 Ca -0.05 0.10 0.05 0.00 0.00 0.00 0.00 44.72 44.82 2klb s GLY 86 CO 0.04 1.35 -0.15 -0.42 0.00 0.00 0.00 173.10 173.92 2klb s ILE 87 N 1.27 1.22 -0.10 0.90 -1.09 -1.26 -1.05 121.20 121.09 2klb s ILE 87 Ca 0.38 -1.06 -0.07 0.00 -2.23 0.00 0.00 60.65 57.67 2klb s ILE 87 Cb -0.17 -1.10 0.03 0.00 -1.58 0.00 0.00 42.46 39.64 2klb s ILE 87 CO 0.17 0.03 0.25 0.72 -1.23 0.00 0.00 174.94 174.87 2klb s PHE 88 N -0.87 -0.30 -0.77 3.97 -0.71 -1.25 -4.31 117.98 113.74 2klb s PHE 88 Ca 0.03 0.73 -0.26 0.00 -1.04 0.00 0.00 56.93 56.38 2klb s PHE 88 Cb -0.08 0.08 0.03 0.00 -1.21 0.00 0.00 43.02 41.83 2klb s PHE 88 CO 0.01 -0.18 1.38 -1.83 -1.34 0.00 0.00 175.22 173.26 2klb s GLU 89 N 0.66 3.17 -0.21 1.99 -1.05 -1.26 -4.67 118.70 117.33 2klb s GLU 89 Ca -0.04 -0.27 -0.01 0.00 -0.15 0.00 0.00 54.97 54.49 2klb s GLU 89 Cb -0.06 -4.38 0.01 0.00 -0.44 0.00 0.00 34.13 29.26 2klb s GLU 89 CO -0.04 -2.25 -0.11 -0.08 0.95 0.00 0.00 175.26 173.73 2klb s THR 90 N 6.09 2.76 0.00 1.83 -1.32 -1.26 -4.88 115.64 118.85 2klb s THR 90 Ca 0.41 -0.76 0.00 0.00 -1.21 0.00 0.00 61.69 60.13 2klb s THR 90 Cb -0.07 -2.24 0.00 0.00 -1.51 0.00 0.00 72.50 68.67 2klb s THR 90 CO 0.12 0.44 0.00 0.61 -2.21 0.00 0.00 174.62 173.58 2klb n GLY 91 N 4.70 1.17 5.24 6.08 0.00 -1.26 -4.84 105.19 116.29 2klb n GLY 91 Ca -0.19 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 1.82 5.54 -0.02 0.00 -1.26 -3.26 105.19 108.01 2klb n GLY 92 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 1.40 3.62 -0.02 0.00 -1.26 -3.98 105.19 104.96 2klb n GLY 93 Ca 0.00 0.34 -0.03 0.00 0.00 0.00 0.00 46.02 46.33 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 -4.00 -0.69 0.08 1.61 2.15 -1.26 -4.94 116.67 109.62 2klb s ASP 94 Ca 0.00 1.08 -0.13 0.00 0.43 0.00 0.00 52.55 53.93 2klb s ASP 94 Cb 0.00 1.37 0.02 0.00 -0.30 0.00 0.00 42.92 44.01 2klb s ASP 94 CO 0.00 -0.17 0.31 -0.62 -0.17 0.00 0.00 175.17 174.52 2klb s ASP 95 N 1.63 -0.09 -0.17 -0.34 2.15 -1.26 -1.04 116.67 117.55 2klb s ASP 95 Ca -0.09 -0.36 -0.17 0.00 0.43 0.00 0.00 52.55 52.37 2klb s ASP 95 Cb -0.05 0.39 -0.06 0.00 -0.30 0.00 0.00 42.92 42.91 2klb s ASP 95 CO -0.17 -0.73 -0.33 -0.62 -0.17 0.00 0.00 175.17 173.16 2klb n GLU 96 N 0.13 0.50 -0.83 4.34 1.02 -1.26 -4.67 120.64 119.87 2klb n GLU 96 Ca -0.17 0.20 -0.09 0.00 -0.02 0.00 0.00 57.16 57.08 2klb n GLU 96 Cb 0.62 -1.37 -0.07 0.00 -0.02 0.00 0.00 31.44 30.59 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 -4.39 1.60 -0.36 3.49 -0.04 -1.26 -4.53 135.00 129.51 2klb n PRO 97 Ca -0.15 -0.75 -0.03 0.00 -0.04 0.00 0.00 63.50 62.53 2klb n PRO 97 Cb 0.51 -1.56 0.11 0.00 -0.04 0.00 0.00 33.50 32.51 2klb n PRO 97 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 2klb h ILE 98 N 1.49 1.26 0.14 0.52 2.10 -2.00 -0.67 117.51 120.35 2klb h ILE 98 Ca 0.14 -0.53 -0.01 0.00 1.08 0.00 0.00 64.86 65.54 2klb h ILE 98 Cb 1.18 -0.12 0.00 0.00 -1.09 0.00 0.00 36.82 36.79 2klb h ILE 98 CO 0.24 0.26 -0.07 0.44 -1.08 0.00 0.00 178.15 177.95 2klb h ASP 99 N 1.32 -0.15 -0.95 2.19 3.32 -1.99 -1.72 116.42 118.45 2klb h ASP 99 Ca 0.35 -0.31 0.21 0.00 0.02 0.00 0.00 57.03 57.30 2klb h ASP 99 Cb -0.09 0.04 -0.08 0.00 0.22 0.00 0.00 39.33 39.42 2klb h ASP 99 CO -0.07 0.25 0.62 -0.65 -1.72 0.00 0.00 179.24 177.67 2klb h PRO 100 N -0.59 0.45 0.81 3.56 0.11 -1.90 0.19 132.00 134.62 2klb h PRO 100 Ca -0.02 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 2klb h PRO 100 Cb 0.46 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.47 2klb h PRO 100 CO 0.03 0.30 -0.39 1.25 -0.21 0.00 0.00 178.00 178.98 2klb h LEU 101 N 0.46 -0.92 -1.59 2.35 5.85 -0.93 -1.53 115.31 119.00 2klb h LEU 101 Ca 0.51 0.02 0.05 0.00 0.84 0.00 0.00 57.88 59.30 2klb h LEU 101 Cb 1.19 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.43 2klb h LEU 101 CO -0.23 -0.63 0.34 -0.07 -0.34 0.00 0.00 178.44 177.51 2klb h LEU 102 N -1.13 0.45 -0.95 2.25 3.38 -0.81 -1.82 115.31 116.68 2klb h LEU 102 Ca -0.11 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2klb h LEU 102 Cb 0.84 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 2klb h LEU 102 CO 0.18 0.30 0.62 -1.28 0.09 0.00 0.00 178.44 178.36 2klb h SER 103 N 0.52 1.10 0.04 -0.43 0.87 -0.44 -1.79 113.55 113.41 2klb h SER 103 Ca 0.21 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2klb h SER 103 Cb 0.20 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 2klb h SER 103 CO -0.06 0.80 -0.01 0.11 -0.53 0.00 0.00 176.83 177.15 2klb h LYS 104 N 1.29 0.00 0.00 2.24 1.79 -0.38 -2.51 116.57 119.00 2klb h LYS 104 Ca 0.35 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.82 2klb h LYS 104 Cb -0.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.51 2klb h LYS 104 CO -0.07 0.01 0.00 1.19 -1.08 0.00 0.00 179.45 179.49 2klb n PHE 105 N -3.40 0.00 0.03 -1.35 3.72 -0.73 -4.42 117.46 111.31 2klb n PHE 105 Ca -0.03 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.29 2klb n PHE 105 Cb 0.09 -0.20 0.08 0.00 -0.94 0.00 0.00 39.48 38.50 2klb n PHE 105 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2klb h ARG 106 N 0.00 0.46 0.00 -1.08 3.08 -1.39 0.25 114.38 115.70 2klb h ARG 106 Ca 0.00 -0.30 -0.05 0.00 0.07 0.00 0.00 59.98 59.71 2klb h ARG 106 Cb 0.00 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2klb h ARG 106 CO 0.00 0.90 -0.24 -0.91 -1.07 0.00 0.00 179.97 178.65 2klb h ASN 107 N 0.35 0.00 0.00 7.04 4.21 -1.65 -3.24 115.58 122.28 2klb h ASN 107 Ca 0.00 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.44 2klb h ASN 107 Cb 1.10 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.29 2klb h ASN 107 CO 0.10 0.24 -0.59 -0.07 -1.29 0.00 0.00 177.43 175.82 2klb h LEU 108 N 0.00 0.00 0.00 1.61 4.07 -1.62 -3.49 115.31 115.87 2klb h LEU 108 Ca -0.00 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.65 2klb h LEU 108 Cb 0.66 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.40 2klb h LEU 108 CO 0.03 0.98 0.00 0.61 -1.08 0.00 0.00 178.44 178.98 2klb n GLY 109 N 1.59 -0.01 3.55 0.83 0.00 -0.33 -4.46 105.19 106.35 2klb n GLY 109 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 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 3.20 0.04 0.99 1.43 0.73 -2.13 118.68 122.95 2klb s LEU 110 Ca 0.00 -0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 52.48 2klb s LEU 110 Cb 0.00 -2.55 -0.05 0.00 0.03 0.00 0.00 46.19 43.62 2klb s LEU 110 CO 0.00 -1.96 1.18 0.28 0.23 0.00 0.00 176.35 176.08 2klb s THR 111 N 6.51 4.14 -0.46 5.49 -1.32 -0.18 -3.29 115.64 126.53 2klb s THR 111 Ca 0.43 1.53 -0.28 0.00 -1.21 0.00 0.00 61.69 62.16 2klb s THR 111 Cb -0.09 -3.98 0.03 0.00 -1.51 0.00 0.00 72.50 66.95 2klb s THR 111 CO 0.15 0.11 1.10 0.42 -2.21 0.00 0.00 174.62 174.18 2klb s THR 112 N 1.18 4.27 0.34 5.08 -4.23 -1.26 -1.35 115.64 119.67 2klb s THR 112 Ca 0.58 1.19 0.07 0.00 -1.18 0.00 0.00 61.69 62.34 2klb s THR 112 Cb -0.28 -4.56 0.31 0.00 1.34 0.00 0.00 72.50 69.31 2klb s THR 112 CO 0.28 -0.94 1.88 0.00 -0.54 0.00 0.00 174.62 175.30 2klb h ALA 113 N 9.11 1.74 -3.34 3.99 0.00 -1.47 -3.25 119.26 126.05 2klb h ALA 113 Ca -0.23 0.01 -0.65 0.00 0.00 0.00 0.00 54.91 54.04 2klb h ALA 113 Cb 1.06 -0.16 -0.40 0.00 0.00 0.00 0.00 17.79 18.30 2klb h ALA 113 CO 1.10 0.04 -0.57 0.12 0.00 0.00 0.00 179.25 179.94 2klb s PHE 114 N -5.74 3.24 -0.10 0.00 5.36 -1.26 -4.95 117.98 114.52 2klb s PHE 114 Ca -0.10 -3.08 0.00 0.00 -0.96 0.00 0.00 56.93 52.79 2klb s PHE 114 Cb 0.22 -2.90 0.12 0.00 -0.34 0.00 0.00 43.02 40.11 2klb s PHE 114 CO 0.79 -0.77 1.45 -0.35 -1.46 0.00 0.00 175.22 174.88 2klb n PRO 115 N 3.21 1.27 -3.65 10.12 -0.04 -1.23 -4.75 135.00 139.93 2klb n PRO 115 Ca 0.06 -0.61 -0.04 0.00 -0.04 0.00 0.00 63.50 62.87 2klb n PRO 115 Cb 0.33 -1.24 -0.06 0.00 -0.04 0.00 0.00 33.50 32.50 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 -0.68 -1.79 -0.09 0.55 0.00 -1.26 -5.13 121.76 113.36 2klb s ALA 116 Ca 0.12 2.16 0.00 0.00 0.00 0.00 0.00 51.96 54.24 2klb s ALA 116 Cb 0.10 -1.57 0.02 0.00 0.00 0.00 0.00 23.12 21.67 2klb s ALA 116 CO 0.01 -0.74 -0.09 0.96 0.00 0.00 0.00 175.76 175.91 2klb s ILE 117 N 2.48 1.01 0.00 0.00 -0.00 -1.26 -4.77 121.20 118.66 2klb s ILE 117 Ca -0.06 -0.32 0.12 0.00 -0.00 0.00 0.00 60.65 60.38 2klb s ILE 117 Cb -0.10 -1.00 0.20 0.00 -0.00 0.00 0.00 42.46 41.55 2klb s ILE 117 CO -0.18 0.35 1.04 -1.14 -0.00 0.00 0.00 174.94 175.02 2klb n ARG 118 N 4.57 0.00 -2.21 0.37 0.63 -1.26 -5.12 116.66 113.64 2klb n ARG 118 Ca -0.16 -1.38 -0.39 0.00 -0.92 0.00 0.00 57.85 54.99 2klb n ARG 118 Cb 0.51 0.15 -0.02 0.00 0.45 0.00 0.00 32.46 33.55 2klb n ARG 118 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2klb s ILE 119 N 0.00 2.95 -0.08 5.15 -1.09 -1.26 -4.98 121.20 121.89 2klb s ILE 119 Ca 0.15 0.85 -0.25 0.00 -2.23 0.00 0.00 60.65 59.17 2klb s ILE 119 Cb 0.18 -3.50 -0.21 0.00 -1.58 0.00 0.00 42.46 37.34 2klb s ILE 119 CO -0.08 0.13 0.93 0.50 -1.23 0.00 0.00 174.94 175.20 2klb h LYS 120 N 2.90 -0.04 0.00 2.79 3.64 -1.98 -3.41 116.57 120.48 2klb h LYS 120 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2klb h LYS 120 Cb 1.23 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2klb h LYS 120 CO 0.63 0.65 0.00 0.94 -2.27 0.00 0.00 179.45 179.40 2klb n GLN 121 N -4.76 0.00 -4.80 1.90 -0.06 -1.20 -4.04 117.38 104.42 2klb n GLN 121 Ca -0.09 0.00 -0.33 0.00 -2.00 0.00 0.00 57.00 54.58 2klb n GLN 121 Cb 0.34 0.00 -0.14 0.00 -4.06 0.00 0.00 30.24 26.38 2klb n GLN 121 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 2klb s THR 122 N -0.98 3.01 0.75 1.69 -4.23 -1.26 -4.19 115.64 110.43 2klb s THR 122 Ca 0.00 -0.68 -0.14 0.00 -1.18 0.00 0.00 61.69 59.69 2klb s THR 122 Cb 0.00 -2.26 0.05 0.00 1.34 0.00 0.00 72.50 71.63 2klb s THR 122 CO 0.00 0.53 1.17 -2.84 -0.54 0.00 0.00 174.62 172.94 2klb s PRO 123 N 0.31 2.10 0.42 3.99 0.02 -1.26 -4.80 135.00 135.77 2klb s PRO 123 Ca -0.10 1.60 0.08 0.00 0.02 0.00 0.00 61.00 62.59 2klb s PRO 123 Cb -0.16 -1.85 -0.02 0.00 0.02 0.00 0.00 34.50 32.50 2klb s PRO 123 CO 0.06 -1.83 0.41 0.95 -0.33 0.00 0.00 177.00 176.25 2klb s THR 124 N -2.25 2.70 0.60 0.99 -4.23 -1.26 -4.98 115.64 107.21 2klb s THR 124 Ca 0.70 -1.29 0.31 0.00 -1.18 0.00 0.00 61.69 60.23 2klb s THR 124 Cb -0.25 -2.99 0.36 0.00 1.34 0.00 0.00 72.50 70.96 2klb s THR 124 CO 0.48 0.00 2.19 1.05 -0.54 0.00 0.00 174.62 177.79 2klb h GLU 125 N 0.97 0.00 0.00 3.99 4.11 -2.04 -1.81 114.58 119.80 2klb h GLU 125 Ca -0.41 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 58.92 2klb h GLU 125 Cb 1.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 2klb h GLU 125 CO 0.55 0.00 -0.80 -0.91 0.07 0.00 0.00 179.01 177.92 2klb h ASN 126 N 0.00 0.00 -0.57 3.06 2.35 -2.03 -3.30 115.58 115.09 2klb h ASN 126 Ca 0.04 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.91 2klb h ASN 126 Cb 0.23 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 2klb h ASN 126 CO -0.00 0.42 0.39 0.74 -1.65 0.00 0.00 177.43 177.33 2klb h THR 127 N 0.00 0.82 -0.53 2.81 2.02 -1.71 -0.62 112.91 115.70 2klb h THR 127 Ca -0.05 -0.08 0.06 0.00 0.77 0.00 0.00 66.41 67.10 2klb h THR 127 Cb 1.37 0.57 -0.05 0.00 -1.74 0.00 0.00 68.15 68.30 2klb h THR 127 CO 0.05 0.04 0.25 1.88 0.37 0.00 0.00 175.52 178.11 2klb h TYR 128 N 0.23 0.45 -0.46 3.16 -1.99 -1.67 -2.21 116.97 114.48 2klb h TYR 128 Ca 0.27 0.02 0.04 0.00 2.00 0.00 0.00 58.73 61.06 2klb h TYR 128 Cb 0.74 -0.12 -0.04 0.00 2.00 0.00 0.00 36.73 39.31 2klb h TYR 128 CO -0.00 0.20 0.23 0.87 -0.00 0.00 0.00 178.16 179.46 2klb h LYS 129 N 0.48 0.44 -0.49 4.88 1.57 -1.32 -0.81 116.57 121.32 2klb h LYS 129 Ca 0.24 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 59.07 2klb h LYS 129 Cb 0.19 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.33 2klb h LYS 129 CO -0.19 0.29 0.13 -0.07 -0.57 0.00 0.00 179.45 179.04 2klb h LEU 130 N 0.45 0.08 -0.24 2.94 3.38 -1.38 -0.79 115.31 119.75 2klb h LEU 130 Ca 0.20 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.27 2klb h LEU 130 Cb 0.11 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2klb h LEU 130 CO -0.14 0.07 0.08 0.00 0.09 0.00 0.00 178.44 178.54 2klb h GLU 132 N 0.19 0.06 -0.11 0.00 5.08 -0.65 -0.72 114.58 118.44 2klb h GLU 132 Ca 0.11 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 2klb h GLU 132 Cb 0.07 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2klb h GLU 132 CO -0.11 0.04 -0.46 0.93 -1.00 0.00 0.00 179.01 178.42 2klb h GLU 133 N 0.06 0.26 0.11 2.33 5.08 -1.03 -2.85 114.58 118.54 2klb h GLU 133 Ca 0.05 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2klb h GLU 133 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2klb h GLU 133 CO -0.08 0.67 -0.05 0.00 -1.00 0.00 0.00 179.01 178.54 2klb h ALA 134 N 1.32 -0.16 -0.46 3.43 0.00 -0.81 -3.32 119.26 119.26 2klb h ALA 134 Ca 0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2klb h ALA 134 Cb 0.89 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2klb h ALA 134 CO 0.07 -0.15 0.06 0.78 0.00 0.00 0.00 179.25 180.02 2klb h GLY 135 N -0.99 0.83 1.14 0.00 0.00 -1.26 -3.15 103.07 99.63 2klb h GLY 135 Ca -0.02 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 2klb h GLY 135 CO 0.03 0.52 0.50 -0.84 0.00 0.00 0.00 176.54 176.74 2klb h THR 136 N 0.63 1.23 -0.18 4.70 2.02 -1.67 -1.75 112.91 117.89 2klb h THR 136 Ca 0.14 -0.52 0.03 0.00 0.77 0.00 0.00 66.41 66.83 2klb h THR 136 Cb 0.40 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 2klb h THR 136 CO 0.01 0.25 -0.03 -0.78 0.37 0.00 0.00 175.52 175.33 2klb h ASP 137 N 1.15 -0.14 -0.92 4.18 3.58 -1.64 0.13 116.42 122.76 2klb h ASP 137 Ca 0.30 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.79 2klb h ASP 137 Cb -0.04 0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.07 2klb h ASP 137 CO -0.06 -0.05 0.54 -0.07 -2.88 0.00 0.00 179.24 176.73 2klb h LEU 138 N 0.01 1.11 -0.45 2.28 -0.00 -1.53 -1.18 115.31 115.55 2klb h LEU 138 Ca 0.08 -0.08 0.01 0.00 -0.00 0.00 0.00 57.88 57.90 2klb h LEU 138 Cb 0.12 -0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 40.48 2klb h LEU 138 CO -0.17 0.87 0.28 1.23 -0.00 0.00 0.00 178.44 180.64 2klb h GLY 139 N 1.27 0.64 1.16 0.83 0.00 -0.51 -1.30 103.07 105.16 2klb h GLY 139 Ca 0.33 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.38 2klb h GLY 139 CO -0.06 0.20 0.16 1.46 0.00 0.00 0.00 176.54 178.30 2klb h GLN 140 N 0.57 1.04 0.59 4.80 4.20 -0.46 -2.80 115.11 123.05 2klb h GLN 140 Ca 0.17 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 2klb h GLN 140 Cb -0.02 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 27.62 2klb h GLN 140 CO -0.06 0.92 -0.28 2.35 -0.67 0.00 0.00 178.83 181.08 2klb h TRP 141 N 0.99 -0.74 -0.07 2.96 7.01 -0.92 -2.73 115.95 122.47 2klb h TRP 141 Ca 0.21 -0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.22 2klb h TRP 141 Cb 0.35 0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 27.62 2klb h TRP 141 CO 0.03 -0.40 -0.08 0.28 -2.79 0.00 0.00 178.44 175.47 2klb h VAL 142 N -1.07 0.78 -0.58 2.65 2.07 -1.30 0.06 116.25 118.87 2klb h VAL 142 Ca -0.08 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 2klb h VAL 142 Cb 0.66 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 2klb h VAL 142 CO 0.13 0.00 0.22 0.00 0.02 0.00 0.00 177.57 177.94 2klb h THR 143 N -0.10 1.21 0.00 2.57 1.03 -1.61 -0.52 112.91 115.49 2klb h THR 143 Ca 0.05 -0.67 -0.07 0.00 -0.01 0.00 0.00 66.41 65.71 2klb h THR 143 Cb 0.18 0.54 -0.01 0.00 -1.07 0.00 0.00 68.15 67.79 2klb h THR 143 CO -0.13 0.26 -0.49 -0.09 -0.01 0.00 0.00 175.52 175.06 2klb h ARG 144 N 0.83 0.00 0.04 0.00 2.43 -1.21 -1.90 114.38 114.56 2klb h ARG 144 Ca 0.20 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.30 2klb h ARG 144 Cb 0.18 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2klb h ARG 144 CO -0.02 0.30 -0.28 0.22 -1.51 0.00 0.00 179.97 178.68 2klb h ASP 145 N 0.00 0.18 0.00 -3.80 1.82 -0.65 -3.27 116.42 110.70 2klb h ASP 145 Ca -0.02 -0.93 0.00 0.00 -0.39 0.00 0.00 57.03 55.69 2klb h ASP 145 Cb 1.27 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.22 2klb h ASP 145 CO 0.04 1.09 0.00 0.54 -1.61 0.00 0.00 179.24 179.30 2klb n ARG 146 N -4.46 0.98 0.00 0.28 3.00 -0.23 -4.03 116.66 112.20 2klb n ARG 146 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.73 2klb n ARG 146 Cb 0.58 -1.16 0.00 0.00 0.00 0.00 0.00 32.46 31.87 2klb n ARG 146 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2klb n LEU 147 N -0.66 0.00 -0.29 0.55 -0.00 -0.72 -3.14 117.00 112.74 2klb n LEU 147 Ca 0.08 0.46 0.09 0.00 -0.00 0.00 0.00 56.01 56.64 2klb n LEU 147 Cb 0.04 -0.46 0.19 0.00 -0.00 0.00 0.00 43.42 43.19 2klb n LEU 147 CO 0.06 -0.46 0.61 1.21 -0.00 0.00 0.00 177.39 178.81 2klb n GLU 148 N -1.46 -0.07 0.03 1.96 4.07 -1.26 -4.25 120.64 119.67 2klb n GLU 148 Ca 0.00 1.26 0.00 0.00 -0.06 0.00 0.00 57.16 58.36 2klb n GLU 148 Cb 0.03 -1.96 0.00 0.00 -0.06 0.00 0.00 31.44 29.46 2klb n GLU 148 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 2klb n HIS 149 N -5.25 -0.48 -2.33 4.31 -0.00 -1.19 -5.15 115.22 105.12 2klb n HIS 149 Ca 0.17 0.09 -0.03 0.00 0.46 0.00 0.00 57.72 58.41 2klb n HIS 149 Cb 0.55 0.41 -0.02 0.00 -0.12 0.00 0.00 29.99 30.80 2klb n HIS 149 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2klb n HIS 150 N -2.81 -4.13 -3.58 1.57 -0.00 -1.19 -5.06 115.22 100.01 2klb n HIS 150 Ca 0.00 2.43 -0.22 0.00 0.46 0.00 0.00 57.72 60.39 2klb n HIS 150 Cb 0.08 -3.65 -0.01 0.00 -0.12 0.00 0.00 29.99 26.29 2klb n HIS 150 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2klb s HIS 151 N -0.56 2.23 -0.01 1.57 -3.43 -1.26 -5.11 115.29 108.73 2klb s HIS 151 Ca -0.14 -0.62 -0.18 0.00 -0.80 0.00 0.00 55.06 53.32 2klb s HIS 151 Cb 0.01 -2.11 0.03 0.00 -1.43 0.00 0.00 32.58 29.08 2klb s HIS 151 CO 0.37 -0.36 0.38 -3.38 -2.00 0.00 0.00 174.74 169.75 2klb s HIS 152 N -2.58 -0.26 0.00 0.38 -3.43 -1.26 -5.05 115.29 103.08 2klb s HIS 152 Ca 0.46 0.37 0.00 0.00 -0.80 0.00 0.00 55.06 55.09 2klb s HIS 152 Cb -0.03 0.16 0.00 0.00 -1.43 0.00 0.00 32.58 31.28 2klb s HIS 152 CO 0.27 -0.46 0.00 1.58 -2.00 0.00 0.00 174.74 174.14 2klb n HIS 153 N 1.05 0.00 1.91 0.38 -0.00 -1.26 -5.31 115.22 112.00 2klb n HIS 153 Ca -0.21 0.00 0.15 0.00 -0.00 0.00 0.00 57.72 57.67 2klb n HIS 153 Cb 0.57 0.00 0.91 0.00 -0.00 0.00 0.00 29.99 31.47 2klb n HIS 153 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92