#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k8b s LEU 2 N 0.00 3.42 0.95 1.34 2.01 -1.26 -4.95 118.68 120.19 3k8b s LEU 2 Ca 0.00 1.34 -0.12 0.00 0.01 0.00 0.00 54.13 55.36 3k8b s LEU 2 Cb 0.00 -3.02 0.16 0.00 0.01 0.00 0.00 46.19 43.34 3k8b s LEU 2 CO 0.00 -2.33 1.11 -0.94 1.01 0.00 0.00 176.35 175.20 3k8b s SER 3 N 9.53 3.09 0.27 2.29 1.04 -1.26 -4.60 113.70 124.05 3k8b s SER 3 Ca 0.93 1.09 0.00 0.00 0.48 0.00 0.00 55.95 58.46 3k8b s SER 3 Cb -0.23 -1.72 0.58 0.00 0.10 0.00 0.00 66.02 64.75 3k8b s SER 3 CO 0.30 -2.83 1.74 0.00 0.98 0.00 0.00 173.24 173.43 3k8b h ALA 4 N -1.69 1.31 -0.29 5.32 0.00 -1.97 0.54 119.26 122.48 3k8b h ALA 4 Ca -0.52 0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.33 3k8b h ALA 4 Cb 1.33 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3k8b h ALA 4 CO 0.60 -0.16 -0.47 0.00 0.00 0.00 0.00 179.25 179.21 3k8b h ALA 5 N 1.60 0.63 0.69 0.00 0.00 -1.98 -1.96 119.26 118.25 3k8b h ALA 5 Ca 0.49 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3k8b h ALA 5 Cb 0.76 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.46 3k8b h ALA 5 CO -0.41 0.68 -0.33 -0.44 0.00 0.00 0.00 179.25 178.74 3k8b h ASP 6 N 0.61 -0.79 0.09 0.00 3.32 -1.63 0.47 116.42 118.49 3k8b h ASP 6 Ca 0.03 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3k8b h ASP 6 Cb 1.04 0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3k8b h ASP 6 CO 0.10 -0.45 0.00 0.29 -1.72 0.00 0.00 179.24 177.46 3k8b n LYS 7 N -5.43 0.04 -0.07 3.56 5.02 0.18 -0.96 118.16 120.51 3k8b n LYS 7 Ca -0.13 0.30 -0.09 0.00 -2.02 0.00 0.00 58.31 56.38 3k8b n LYS 7 Cb 0.39 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.83 3k8b n LYS 7 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3k8b n ASN 8 N -1.35 2.87 -0.17 4.39 5.03 -0.74 -4.20 115.26 121.10 3k8b n ASN 8 Ca 0.02 -0.06 -0.06 0.00 0.87 0.00 0.00 54.58 55.35 3k8b n ASN 8 Cb 0.04 -0.08 0.04 0.00 -1.02 0.00 0.00 39.78 38.75 3k8b n ASN 8 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.26 176.21 3k8b h ASN 9 N 0.00 0.46 -0.50 6.41 2.35 0.34 -0.95 115.58 123.69 3k8b h ASN 9 Ca -0.30 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.40 3k8b h ASN 9 Cb 1.50 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.75 3k8b h ASN 9 CO -0.04 0.32 0.12 0.58 -1.65 0.00 0.00 177.43 176.77 3k8b h VAL 10 N 0.58 1.23 -0.04 2.81 2.07 -1.27 -1.05 116.25 120.58 3k8b h VAL 10 Ca 0.20 -0.85 -0.11 0.00 0.82 0.00 0.00 66.70 66.77 3k8b h VAL 10 Cb 0.04 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3k8b h VAL 10 CO -0.10 0.32 -0.48 0.11 0.02 0.00 0.00 177.57 177.44 3k8b h LYS 11 N 0.82 0.09 -0.04 1.57 1.57 -1.70 -3.03 116.57 115.85 3k8b h LYS 11 Ca 0.18 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3k8b h LYS 11 Cb 0.32 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 3k8b h LYS 11 CO 0.00 0.55 -0.15 0.78 -0.57 0.00 0.00 179.45 180.06 3k8b h GLY 12 N 1.39 -1.46 2.00 3.86 0.00 0.20 0.67 103.07 109.72 3k8b h GLY 12 Ca 0.00 0.69 -0.05 0.00 0.00 0.00 0.00 47.33 47.98 3k8b h GLY 12 CO 0.07 -0.50 -0.21 0.16 0.00 0.00 0.00 176.54 176.06 3k8b h ILE 13 N -0.16 0.45 0.00 2.60 -2.65 -1.66 -2.96 117.51 113.14 3k8b h ILE 13 Ca 0.01 -1.24 0.00 0.00 1.03 0.00 0.00 64.86 64.66 3k8b h ILE 13 Cb 0.19 1.90 0.00 0.00 -2.05 0.00 0.00 36.82 36.86 3k8b h ILE 13 CO -0.12 0.21 0.00 -0.26 0.03 0.00 0.00 178.15 178.01 3k8b h PHE 14 N 0.00 0.00 0.00 0.16 0.04 -1.38 0.17 116.94 115.93 3k8b h PHE 14 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3k8b h PHE 14 Cb 0.88 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.03 3k8b h PHE 14 CO 0.00 0.00 -0.42 0.00 -0.60 0.00 0.00 178.31 177.29 3k8b h THR 15 N 0.00 0.07 0.00 -1.55 1.03 -0.71 -3.21 112.91 108.55 3k8b h THR 15 Ca 0.00 -1.11 0.00 0.00 -0.01 0.00 0.00 66.41 65.29 3k8b h THR 15 Cb 0.75 1.86 0.00 0.00 -1.07 0.00 0.00 68.15 69.69 3k8b h THR 15 CO 0.00 0.04 -0.34 1.17 -0.01 0.00 0.00 175.52 176.38 3k8b n LYS 16 N -2.96 0.15 -4.56 0.00 4.81 -0.64 -4.60 118.16 110.36 3k8b n LYS 16 Ca 0.02 0.07 -0.34 0.00 -0.87 0.00 0.00 58.31 57.19 3k8b n LYS 16 Cb 0.56 -1.63 -0.11 0.00 0.02 0.00 0.00 35.03 33.88 3k8b n LYS 16 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3k8b s ILE 17 N -3.08 3.84 0.00 3.15 1.01 -0.05 -4.92 121.20 121.16 3k8b s ILE 17 Ca 0.10 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.32 3k8b s ILE 17 Cb 0.15 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 40.04 3k8b s ILE 17 CO 0.65 0.60 0.00 0.00 0.00 0.00 0.00 174.94 176.19 3k8b n ALA 18 N 2.24 0.00 -0.25 9.38 0.00 -1.26 -4.70 120.51 125.92 3k8b n ALA 18 Ca -0.18 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.26 3k8b n ALA 18 Cb 0.53 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.21 3k8b n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k8b n GLY 19 N -1.30 2.67 0.00 0.00 0.00 -1.26 -4.03 105.19 101.27 3k8b n GLY 19 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3k8b n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3k8b n HIS 20 N 0.21 0.00 0.12 1.61 -0.00 -1.26 -4.87 115.22 111.03 3k8b n HIS 20 Ca 0.22 -0.31 -0.11 0.00 -0.00 0.00 0.00 57.72 57.52 3k8b n HIS 20 Cb 0.93 -0.03 -0.06 0.00 -0.00 0.00 0.00 29.99 30.83 3k8b n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3k8b h ALA 21 N 0.00 -0.90 -0.97 -1.41 0.00 -1.94 0.39 119.26 114.42 3k8b h ALA 21 Ca 0.00 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 54.99 3k8b h ALA 21 Cb 0.68 0.66 -0.09 0.00 0.00 0.00 0.00 17.79 19.04 3k8b h ALA 21 CO 0.00 -0.96 0.61 1.05 0.00 0.00 0.00 179.25 179.95 3k8b h GLU 22 N -0.54 0.70 -0.02 0.00 9.09 -1.84 0.84 114.58 122.82 3k8b h GLU 22 Ca -0.02 -0.04 -0.05 0.00 0.05 0.00 0.00 59.36 59.30 3k8b h GLU 22 Cb 0.50 -0.16 0.00 0.00 -1.65 0.00 0.00 28.75 27.45 3k8b h GLU 22 CO -0.12 0.47 -0.17 1.49 0.05 0.00 0.00 179.01 180.72 3k8b h GLU 23 N 0.73 0.15 -0.03 1.06 4.81 -1.84 -2.93 114.58 116.53 3k8b h GLU 23 Ca 0.53 -0.14 -0.19 0.00 -0.13 0.00 0.00 59.36 59.43 3k8b h GLU 23 Cb 0.86 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 3k8b h GLU 23 CO -0.30 0.83 -0.81 1.88 -0.73 0.00 0.00 179.01 179.89 3k8b h TYR 24 N -0.48 0.44 0.30 0.92 0.99 0.07 -2.88 116.97 116.32 3k8b h TYR 24 Ca -0.02 -0.22 0.00 0.00 2.00 0.00 0.00 58.73 60.50 3k8b h TYR 24 Cb 0.88 -0.06 -0.02 0.00 1.00 0.00 0.00 36.73 38.53 3k8b h TYR 24 CO 0.16 0.99 -0.30 0.78 -0.00 0.00 0.00 178.16 179.79 3k8b h GLY 25 N 1.49 -0.69 1.80 3.88 0.00 0.61 -2.50 103.07 107.66 3k8b h GLY 25 Ca -0.04 0.35 -0.09 0.00 0.00 0.00 0.00 47.33 47.55 3k8b h GLY 25 CO 0.13 -0.26 -0.31 0.00 0.00 0.00 0.00 176.54 176.10 3k8b h ALA 26 N -0.07 1.25 -0.13 3.60 0.00 -1.58 -2.74 119.26 119.60 3k8b h ALA 26 Ca -0.01 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.39 3k8b h ALA 26 Cb 0.58 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3k8b h ALA 26 CO -0.07 0.51 -0.63 1.49 0.00 0.00 0.00 179.25 180.55 3k8b h GLU 27 N 0.21 0.47 -0.84 0.00 4.81 -1.48 -2.48 114.58 115.27 3k8b h GLU 27 Ca 0.03 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3k8b h GLU 27 Cb 0.66 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.05 3k8b h GLU 27 CO 0.05 0.95 0.53 1.79 -0.73 0.00 0.00 179.01 181.59 3k8b h THR 28 N 0.34 1.22 -0.01 0.32 1.35 -1.15 -1.68 112.91 113.31 3k8b h THR 28 Ca -0.01 -0.45 -0.19 0.00 -0.55 0.00 0.00 66.41 65.21 3k8b h THR 28 Cb 1.18 0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 67.61 3k8b h THR 28 CO 0.11 0.23 -0.83 -0.07 -0.25 0.00 0.00 175.52 174.70 3k8b h LEU 29 N 1.14 0.23 -0.40 3.87 3.38 -1.40 -0.20 115.31 121.93 3k8b h LEU 29 Ca 0.30 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 3k8b h LEU 29 Cb -0.09 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3k8b h LEU 29 CO -0.06 0.96 -0.30 -0.33 0.09 0.00 0.00 178.44 178.80 3k8b h GLU 30 N 0.11 0.91 -0.54 1.13 5.08 -1.33 0.24 114.58 120.19 3k8b h GLU 30 Ca -0.04 -0.44 -0.09 0.00 -1.00 0.00 0.00 59.36 57.79 3k8b h GLU 30 Cb 1.44 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.67 3k8b h GLU 30 CO 0.13 1.10 -0.03 0.00 -1.00 0.00 0.00 179.01 179.20 3k8b h ARG 31 N 0.74 0.97 0.36 2.33 3.08 -1.17 -2.11 114.38 118.57 3k8b h ARG 31 Ca 0.08 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.80 3k8b h ARG 31 Cb 0.88 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 3k8b h ARG 31 CO 0.08 0.99 -0.27 1.98 -1.07 0.00 0.00 179.97 181.68 3k8b h MET 32 N 0.84 -0.60 0.00 0.04 4.05 -0.75 -0.02 114.93 118.49 3k8b h MET 32 Ca 0.15 0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.61 3k8b h MET 32 Cb 0.57 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.51 3k8b h MET 32 CO 0.03 -0.40 0.00 0.74 0.23 0.00 0.00 176.91 177.51 3k8b h PHE 33 N -0.63 0.00 0.00 1.39 0.04 -0.42 -1.70 116.94 115.62 3k8b h PHE 33 Ca -0.03 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.48 3k8b h PHE 33 Cb 0.54 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.65 3k8b h PHE 33 CO -0.13 0.00 -1.95 1.51 -0.60 0.00 0.00 178.31 177.14 3k8b n ILE 34 N -2.71 0.94 0.07 -0.55 3.06 -0.80 -3.41 119.36 115.96 3k8b n ILE 34 Ca -0.01 -0.31 0.04 0.00 -2.50 0.00 0.00 62.75 59.96 3k8b n ILE 34 Cb 0.10 -1.34 0.44 0.00 0.54 0.00 0.00 39.64 39.38 3k8b n ILE 34 CO 0.00 0.00 0.00 0.74 -2.50 0.00 0.00 176.55 174.79 3k8b h THR 35 N -0.25 1.11 -2.87 9.51 2.02 -1.09 -3.36 112.91 117.98 3k8b h THR 35 Ca -0.40 -0.33 -0.60 0.00 0.77 0.00 0.00 66.41 65.85 3k8b h THR 35 Cb 1.49 0.77 -0.40 0.00 -1.74 0.00 0.00 68.15 68.27 3k8b h THR 35 CO -0.14 0.13 -0.77 -0.31 0.37 0.00 0.00 175.52 174.80 3k8b s TYR 36 N -5.22 1.64 0.16 3.16 1.51 -0.64 -5.07 117.35 112.89 3k8b s TYR 36 Ca -0.07 -2.22 -0.18 0.00 -1.01 0.00 0.00 57.07 53.59 3k8b s TYR 36 Cb 0.17 -1.62 0.06 0.00 -0.11 0.00 0.00 41.96 40.46 3k8b s TYR 36 CO 0.72 -0.79 1.68 -1.35 -1.11 0.00 0.00 175.55 174.70 3k8b h PRO 37 N 6.77 -0.01 0.00 -1.71 0.11 -1.72 -3.01 132.00 132.43 3k8b h PRO 37 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3k8b h PRO 37 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3k8b h PRO 37 CO 0.42 -0.01 0.00 -0.35 -0.21 0.00 0.00 178.00 177.86 3k8b n PRO 38 N -5.28 0.00 0.00 1.05 -0.04 -1.26 -1.34 135.00 128.13 3k8b n PRO 38 Ca 0.01 0.47 0.08 0.00 -0.04 0.00 0.00 63.50 64.02 3k8b n PRO 38 Cb 0.20 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.57 3k8b n PRO 38 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3k8b n THR 39 N -1.48 0.46 0.57 0.52 -2.24 -1.14 -2.61 114.28 108.36 3k8b n THR 39 Ca 0.00 0.12 0.13 0.00 -2.27 0.00 0.00 64.05 62.02 3k8b n THR 39 Cb 0.01 -0.85 0.29 0.00 -2.10 0.00 0.00 70.33 67.68 3k8b n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3k8b h LYS 40 N 0.00 0.00 0.00 -0.78 1.57 -1.46 -3.28 116.57 112.62 3k8b h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3k8b h LYS 40 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3k8b h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 3k8b h THR 41 N 0.00 0.00 -0.00 -0.16 1.35 -1.72 0.20 112.91 112.58 3k8b h THR 41 Ca 0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 3k8b h THR 41 Cb 0.76 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 3k8b h THR 41 CO 0.00 0.00 -0.26 -1.22 -0.25 0.00 0.00 175.52 173.79 3k8b n TYR 42 N -2.82 0.00 -2.86 4.73 4.01 -1.24 -4.05 117.16 114.93 3k8b n TYR 42 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.52 3k8b n TYR 42 Cb 0.22 -0.31 -0.02 0.00 -0.31 0.00 0.00 39.34 38.91 3k8b n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3k8b n PHE 43 N -1.37 2.50 0.07 -0.72 3.01 0.06 -4.86 117.46 116.15 3k8b n PHE 43 Ca 0.08 -3.59 -0.06 0.00 1.01 0.00 0.00 57.45 54.89 3k8b n PHE 43 Cb 0.33 -0.37 0.11 0.00 -0.01 0.00 0.00 39.48 39.54 3k8b n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3k8b h PRO 44 N 2.90 0.28 -0.06 -1.08 0.13 -1.70 -2.68 132.00 129.78 3k8b h PRO 44 Ca 0.13 -0.20 0.02 0.00 -0.87 0.00 0.00 66.00 65.08 3k8b h PRO 44 Cb 0.81 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 3k8b h PRO 44 CO 0.70 0.80 0.30 1.12 -0.23 0.00 0.00 178.00 180.69 3k8b h HIS 45 N 0.21 0.00 -3.30 1.56 2.07 -1.94 -3.43 115.15 110.31 3k8b h HIS 45 Ca -0.01 0.00 -0.58 0.00 -2.85 0.00 0.00 60.37 56.93 3k8b h HIS 45 Cb 1.12 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 31.02 3k8b h HIS 45 CO 0.03 0.00 -0.19 -0.06 -3.07 0.00 0.00 177.93 174.64 3k8b s PHE 46 N -4.21 3.51 -0.22 6.12 2.99 -1.01 -5.05 117.98 120.11 3k8b s PHE 46 Ca -0.04 0.82 -0.28 0.00 0.00 0.00 0.00 56.93 57.43 3k8b s PHE 46 Cb 0.11 -2.49 -0.04 0.00 0.00 0.00 0.00 43.02 40.60 3k8b s PHE 46 CO 0.35 0.21 1.99 0.34 -0.00 0.00 0.00 175.22 178.10 3k8b s ASP 47 N 0.51 5.81 -0.27 1.36 3.68 -1.26 -4.88 116.67 121.62 3k8b s ASP 47 Ca 0.23 1.77 0.12 0.00 2.13 0.00 0.00 52.55 56.81 3k8b s ASP 47 Cb -0.15 -2.52 0.61 0.00 -1.45 0.00 0.00 42.92 39.41 3k8b s ASP 47 CO 0.09 -1.70 1.58 0.18 0.13 0.00 0.00 175.17 175.46 3k8b n LEU 48 N 10.40 4.80 -4.77 -1.34 4.77 -1.26 -4.54 117.00 125.07 3k8b n LEU 48 Ca 0.25 -3.30 -0.40 0.00 -0.03 0.00 0.00 56.01 52.54 3k8b n LEU 48 Cb 0.45 -0.65 -0.03 0.00 -2.33 0.00 0.00 43.42 40.86 3k8b n LEU 48 CO 0.67 0.88 0.85 -0.94 -1.33 0.00 0.00 177.39 177.52 3k8b s SER 49 N -1.76 6.90 0.12 -1.43 1.04 -1.26 -4.90 113.70 112.41 3k8b s SER 49 Ca 0.48 2.39 -0.33 0.00 0.48 0.00 0.00 55.95 58.96 3k8b s SER 49 Cb 0.40 -2.63 -0.18 0.00 0.10 0.00 0.00 66.02 63.71 3k8b s SER 49 CO 0.08 -0.41 0.83 1.57 0.98 0.00 0.00 173.24 176.29 3k8b n HIS 50 N 0.70 0.22 -3.94 5.02 -0.00 -1.26 -2.70 115.22 113.26 3k8b n HIS 50 Ca 0.01 0.96 -0.28 0.00 0.46 0.00 0.00 57.72 58.87 3k8b n HIS 50 Cb 0.45 -2.06 -0.01 0.00 -0.12 0.00 0.00 29.99 28.25 3k8b n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3k8b n GLY 51 N 1.79 -0.40 3.90 1.57 0.00 -1.26 -4.96 105.19 105.84 3k8b n GLY 51 Ca 0.18 0.22 -0.32 0.00 0.00 0.00 0.00 46.02 46.11 3k8b n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k8b s SER 52 N -4.15 6.45 0.23 1.61 1.04 -1.10 -4.93 113.70 112.85 3k8b s SER 52 Ca 0.12 0.48 -0.17 0.00 0.48 0.00 0.00 55.95 56.86 3k8b s SER 52 Cb -0.05 -2.04 0.26 0.00 0.10 0.00 0.00 66.02 64.28 3k8b s SER 52 CO 0.90 0.11 1.56 0.00 0.98 0.00 0.00 173.24 176.78 3k8b h ALA 53 N 3.00 0.21 0.00 5.32 0.00 -1.91 -0.30 119.26 125.57 3k8b h ALA 53 Ca -0.46 0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3k8b h ALA 53 Cb 1.17 0.94 -0.01 0.00 0.00 0.00 0.00 17.79 19.89 3k8b h ALA 53 CO 0.73 -0.59 -0.23 1.96 0.00 0.00 0.00 179.25 181.12 3k8b h GLN 54 N -0.02 0.00 0.01 0.00 4.20 -1.95 1.23 115.11 118.58 3k8b h GLN 54 Ca 0.35 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.06 3k8b h GLN 54 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 3k8b h GLN 54 CO -0.95 0.23 -0.00 0.82 -0.67 0.00 0.00 178.83 178.25 3k8b h ILE 55 N 0.00 1.49 -0.65 2.54 2.04 -1.33 -2.75 117.51 118.85 3k8b h ILE 55 Ca -0.00 -1.52 -0.05 0.00 1.00 0.00 0.00 64.86 64.29 3k8b h ILE 55 Cb 0.51 2.51 -0.03 0.00 -0.74 0.00 0.00 36.82 39.08 3k8b h ILE 55 CO 0.03 0.39 0.20 0.11 0.00 0.00 0.00 178.15 178.88 3k8b h LYS 56 N -0.66 1.00 -0.24 2.37 1.57 -0.41 0.22 116.57 120.41 3k8b h LYS 56 Ca -0.00 -0.20 -0.16 0.00 -1.87 0.00 0.00 60.65 58.42 3k8b h LYS 56 Cb 0.65 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3k8b h LYS 56 CO 0.00 0.86 -0.48 0.78 -0.57 0.00 0.00 179.45 180.04 3k8b h GLY 57 N 1.05 0.82 1.47 3.86 0.00 0.14 -2.58 103.07 107.83 3k8b h GLY 57 Ca 0.21 -0.97 -0.18 0.00 0.00 0.00 0.00 47.33 46.39 3k8b h GLY 57 CO -0.01 0.87 -1.13 0.84 0.00 0.00 0.00 176.54 177.12 3k8b h HIS 58 N 0.48 0.00 -0.85 5.60 -0.00 -1.41 -3.03 115.15 115.95 3k8b h HIS 58 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 3k8b h HIS 58 Cb 1.08 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.45 3k8b h HIS 58 CO 0.08 0.71 0.54 0.78 -0.00 0.00 0.00 177.93 180.04 3k8b h GLY 59 N 3.47 1.21 2.00 5.26 0.00 -0.64 0.37 103.07 114.75 3k8b h GLY 59 Ca -0.11 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 3k8b h GLY 59 CO 0.07 0.46 -0.03 1.70 0.00 0.00 0.00 176.54 178.75 3k8b h LYS 60 N 1.16 0.00 0.02 4.80 3.64 -1.40 -2.53 116.57 122.25 3k8b h LYS 60 Ca 0.31 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.65 3k8b h LYS 60 Cb -0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3k8b h LYS 60 CO -0.06 0.03 -0.17 0.87 -2.27 0.00 0.00 179.45 177.84 3k8b h LYS 61 N 0.00 0.08 -0.35 1.90 1.79 -1.00 -2.91 116.57 116.07 3k8b h LYS 61 Ca -0.00 -0.11 0.06 0.00 -2.18 0.00 0.00 60.65 58.41 3k8b h LYS 61 Cb 0.05 0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 30.69 3k8b h LYS 61 CO 0.00 0.99 0.04 0.28 -1.08 0.00 0.00 179.45 179.68 3k8b h VAL 62 N -0.77 0.79 -0.16 0.50 2.07 -0.89 -0.62 116.25 117.17 3k8b h VAL 62 Ca -0.03 -0.05 -0.11 0.00 0.82 0.00 0.00 66.70 67.33 3k8b h VAL 62 Cb 1.06 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3k8b h VAL 62 CO 0.03 0.03 -0.32 0.58 0.02 0.00 0.00 177.57 177.91 3k8b h VAL 63 N 0.15 1.35 -0.90 2.57 2.07 -1.59 0.41 116.25 120.31 3k8b h VAL 63 Ca 0.17 -1.58 0.24 0.00 0.82 0.00 0.00 66.70 66.34 3k8b h VAL 63 Cb 0.21 1.98 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 3k8b h VAL 63 CO -0.25 0.48 0.62 0.00 0.02 0.00 0.00 177.57 178.44 3k8b h ALA 64 N 0.56 2.54 0.11 1.67 0.00 -1.32 1.71 119.26 124.54 3k8b h ALA 64 Ca 0.00 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 3k8b h ALA 64 Cb 0.92 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.75 3k8b h ALA 64 CO 0.07 -0.82 -1.19 0.00 0.00 0.00 0.00 179.25 177.31 3k8b h ALA 65 N 1.58 0.14 0.27 0.00 0.00 -0.47 -2.25 119.26 118.53 3k8b h ALA 65 Ca 0.45 -0.84 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3k8b h ALA 65 Cb 1.47 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3k8b h ALA 65 CO -0.10 0.92 -0.13 -0.07 0.00 0.00 0.00 179.25 179.88 3k8b h LEU 66 N 0.11 -0.30 -1.86 0.00 3.38 0.35 -2.59 115.31 114.39 3k8b h LEU 66 Ca -0.13 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 3k8b h LEU 66 Cb 1.90 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.72 3k8b h LEU 66 CO 0.20 0.03 -0.11 0.40 0.09 0.00 0.00 178.44 179.06 3k8b h ILE 67 N -0.66 0.43 0.00 1.22 2.04 0.22 -2.37 117.51 118.40 3k8b h ILE 67 Ca -0.04 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 3k8b h ILE 67 Cb 0.46 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.93 3k8b h ILE 67 CO 0.06 0.10 -0.87 -0.08 0.00 0.00 0.00 178.15 177.36 3k8b h GLU 68 N 0.00 0.00 0.00 2.37 4.22 -1.42 -2.87 114.58 116.88 3k8b h GLU 68 Ca -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 3k8b h GLU 68 Cb 0.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 3k8b h GLU 68 CO 0.01 0.05 -0.10 0.00 -2.18 0.00 0.00 179.01 176.79 3k8b h ALA 69 N 1.92 0.94 0.00 2.92 0.00 -1.19 -3.03 119.26 120.82 3k8b h ALA 69 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3k8b h ALA 69 Cb 1.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3k8b h ALA 69 CO 0.01 0.13 -0.05 0.00 0.00 0.00 0.00 179.25 179.34 3k8b n ALA 70 N -2.13 2.40 -0.07 0.00 0.00 -0.92 -3.40 120.51 116.40 3k8b n ALA 70 Ca 0.03 -0.10 -0.07 0.00 0.00 0.00 0.00 53.44 53.30 3k8b n ALA 70 Cb 0.55 -1.44 -0.11 0.00 0.00 0.00 0.00 19.45 18.45 3k8b n ALA 70 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3k8b n ASN 71 N -1.73 1.66 -3.60 0.00 3.02 -1.15 -4.61 115.26 108.86 3k8b n ASN 71 Ca 0.06 -0.01 -0.33 0.00 -0.03 0.00 0.00 54.58 54.27 3k8b n ASN 71 Cb 0.37 0.74 -0.04 0.00 -0.61 0.00 0.00 39.78 40.23 3k8b n ASN 71 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3k8b n HIS 72 N -2.56 3.16 0.13 3.10 8.25 -1.15 -4.86 115.22 121.29 3k8b n HIS 72 Ca -0.24 -3.54 0.11 0.00 -0.26 0.00 0.00 57.72 53.79 3k8b n HIS 72 Cb 0.94 -0.82 -0.16 0.00 1.12 0.00 0.00 29.99 31.07 3k8b n HIS 72 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 3k8b n ILE 73 N 0.90 0.00 -0.04 1.59 3.06 -1.22 -3.72 119.36 119.93 3k8b n ILE 73 Ca 0.29 -0.42 -0.14 0.00 -2.50 0.00 0.00 62.75 59.98 3k8b n ILE 73 Cb 0.38 0.15 -0.08 0.00 0.54 0.00 0.00 39.64 40.62 3k8b n ILE 73 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 3k8b h ASP 74 N 0.00 0.37 -3.51 9.51 3.32 -1.89 -3.35 116.42 120.86 3k8b h ASP 74 Ca 0.00 -0.56 -0.71 0.00 0.02 0.00 0.00 57.03 55.78 3k8b h ASP 74 Cb 0.92 -0.11 -0.35 0.00 0.22 0.00 0.00 39.33 40.02 3k8b h ASP 74 CO 0.00 0.86 -0.12 -0.62 -1.72 0.00 0.00 179.24 177.65 3k8b s ASP 75 N -6.23 5.94 0.18 6.45 3.68 -1.24 -4.89 116.67 120.55 3k8b s ASP 75 Ca -0.14 -3.53 0.02 0.00 2.13 0.00 0.00 52.55 51.03 3k8b s ASP 75 Cb 0.04 -1.92 0.05 0.00 -1.45 0.00 0.00 42.92 39.64 3k8b s ASP 75 CO 0.76 -0.23 1.42 0.40 0.13 0.00 0.00 175.17 177.64 3k8b h ILE 76 N 4.29 1.45 -0.28 4.11 2.04 -1.71 -3.05 117.51 124.36 3k8b h ILE 76 Ca 0.13 -2.40 -0.14 0.00 1.00 0.00 0.00 64.86 63.45 3k8b h ILE 76 Cb 0.85 2.31 -0.01 0.00 -0.74 0.00 0.00 36.82 39.23 3k8b h ILE 76 CO 0.83 0.71 -0.38 0.00 0.00 0.00 0.00 178.15 179.31 3k8b h ALA 77 N 1.00 0.81 0.00 1.87 0.00 -1.90 -3.13 119.26 117.91 3k8b h ALA 77 Ca -0.04 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 3k8b h ALA 77 Cb 1.40 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3k8b h ALA 77 CO 0.13 0.65 -0.39 0.78 0.00 0.00 0.00 179.25 180.41 3k8b h GLY 78 N 0.99 0.00 0.97 0.00 0.00 -1.92 -1.86 103.07 101.26 3k8b h GLY 78 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3k8b h GLY 78 CO 0.08 0.00 -0.84 -0.37 0.00 0.00 0.00 176.54 175.41 3k8b n THR 79 N -4.07 0.38 -1.47 4.70 5.66 -1.16 -4.18 114.28 114.14 3k8b n THR 79 Ca -0.02 -0.34 0.06 0.00 -3.05 0.00 0.00 64.05 60.70 3k8b n THR 79 Cb 0.42 -0.10 0.09 0.00 -1.55 0.00 0.00 70.33 69.19 3k8b n THR 79 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3k8b n LEU 80 N -2.23 1.53 -0.23 1.09 4.77 -1.18 -4.81 117.00 115.94 3k8b n LEU 80 Ca 0.02 -2.40 -0.07 0.00 -0.03 0.00 0.00 56.01 53.54 3k8b n LEU 80 Cb 0.47 -0.28 0.04 0.00 -2.33 0.00 0.00 43.42 41.32 3k8b n LEU 80 CO 0.38 0.59 1.06 0.77 -1.33 0.00 0.00 177.39 178.86 3k8b h SER 81 N 0.10 0.81 0.13 -1.43 4.64 -1.50 -2.37 113.55 113.93 3k8b h SER 81 Ca -0.01 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.19 3k8b h SER 81 Cb 1.17 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3k8b h SER 81 CO 0.00 0.69 -0.03 0.07 -0.87 0.00 0.00 176.83 176.70 3k8b h LYS 82 N 0.87 0.00 -0.57 4.77 2.10 -1.87 0.17 116.57 122.04 3k8b h LYS 82 Ca 0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.87 3k8b h LYS 82 Cb 0.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 3k8b h LYS 82 CO -0.03 0.03 0.00 1.28 -2.00 0.00 0.00 179.45 178.72 3k8b n LEU 83 N -3.51 3.11 -0.10 7.07 4.77 -0.90 -3.26 117.00 124.18 3k8b n LEU 83 Ca -0.03 -1.56 -0.17 0.00 -0.03 0.00 0.00 56.01 54.22 3k8b n LEU 83 Cb 0.12 -0.40 -0.07 0.00 -2.33 0.00 0.00 43.42 40.75 3k8b n LEU 83 CO 0.26 0.71 -0.79 -1.20 -1.33 0.00 0.00 177.39 175.04 3k8b n SER 84 N 1.02 1.89 -0.26 -1.43 7.64 0.60 -2.98 113.62 120.11 3k8b n SER 84 Ca 0.19 0.43 0.01 0.00 1.01 0.00 0.00 58.87 60.51 3k8b n SER 84 Cb 0.52 -0.85 0.09 0.00 -1.01 0.00 0.00 64.21 62.95 3k8b n SER 84 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3k8b h ASP 85 N -1.00 -0.71 0.49 6.43 3.32 -1.66 0.31 116.42 123.60 3k8b h ASP 85 Ca -0.29 0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 3k8b h ASP 85 Cb 1.14 0.47 0.00 0.00 0.22 0.00 0.00 39.33 41.17 3k8b h ASP 85 CO -0.18 -0.25 -0.23 0.25 -1.72 0.00 0.00 179.24 177.11 3k8b h LEU 86 N -0.00 -0.55 -1.19 1.55 5.85 -1.73 -0.96 115.31 118.27 3k8b h LEU 86 Ca 0.36 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 59.01 3k8b h LEU 86 Cb 0.55 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3k8b h LEU 86 CO -0.77 -0.38 -0.39 0.45 -0.34 0.00 0.00 178.44 177.01 3k8b h HIS 87 N -0.69 0.04 0.01 1.25 3.86 -1.39 -0.22 115.15 118.01 3k8b h HIS 87 Ca -0.07 -0.01 -0.40 0.00 -1.16 0.00 0.00 60.37 58.73 3k8b h HIS 87 Cb 0.50 -0.01 -0.06 0.00 1.06 0.00 0.00 27.41 28.90 3k8b h HIS 87 CO 0.10 0.42 -2.27 0.00 0.86 0.00 0.00 177.93 177.05 3k8b n ALA 88 N -2.47 1.15 -0.02 2.45 0.00 0.11 -0.62 120.51 121.11 3k8b n ALA 88 Ca -0.02 -0.96 -0.20 0.00 0.00 0.00 0.00 53.44 52.26 3k8b n ALA 88 Cb 0.43 -0.09 -0.13 0.00 0.00 0.00 0.00 19.45 19.65 3k8b n ALA 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3k8b h HIS 89 N -0.75 0.32 0.00 0.00 -0.00 -1.23 -3.29 115.15 110.20 3k8b h HIS 89 Ca -0.60 -0.23 0.00 0.00 -0.00 0.00 0.00 60.37 59.53 3k8b h HIS 89 Cb 1.64 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 29.04 3k8b h HIS 89 CO -0.02 1.44 -0.05 0.87 -0.00 0.00 0.00 177.93 180.17 3k8b h LYS 90 N -0.52 0.00 -0.00 5.26 1.57 -1.05 -3.39 116.57 118.45 3k8b h LYS 90 Ca -0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3k8b h LYS 90 Cb 1.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.88 3k8b h LYS 90 CO 0.02 0.00 -0.09 1.28 -0.57 0.00 0.00 179.45 180.08 3k8b n LEU 91 N -4.12 0.10 -4.10 2.94 4.77 -0.13 -4.93 117.00 111.54 3k8b n LEU 91 Ca -0.01 0.39 -0.33 0.00 -0.03 0.00 0.00 56.01 56.04 3k8b n LEU 91 Cb 0.03 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 40.64 3k8b n LEU 91 CO 0.01 0.02 -0.30 0.54 -1.33 0.00 0.00 177.39 176.33 3k8b n ARG 92 N -1.48 -1.51 -2.13 3.23 3.00 -1.15 -4.84 116.66 111.77 3k8b n ARG 92 Ca 0.07 0.21 -0.42 0.00 -0.01 0.00 0.00 57.85 57.70 3k8b n ARG 92 Cb 0.33 -3.69 -0.03 0.00 0.00 0.00 0.00 32.46 29.08 3k8b n ARG 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3k8b s VAL 93 N -4.00 3.68 0.33 1.55 1.01 0.21 -4.97 120.40 118.21 3k8b s VAL 93 Ca 0.15 0.94 -0.29 0.00 0.00 0.00 0.00 61.98 62.78 3k8b s VAL 93 Cb -0.07 -3.60 -0.12 0.00 0.00 0.00 0.00 36.38 32.59 3k8b s VAL 93 CO 0.95 -0.05 1.48 -0.67 0.00 0.00 0.00 175.10 176.81 3k8b n ASP 94 N 6.37 3.52 0.13 3.32 -0.08 -1.26 -4.83 116.55 123.72 3k8b n ASP 94 Ca 0.15 1.19 0.15 0.00 -1.51 0.00 0.00 54.79 54.77 3k8b n ASP 94 Cb 0.43 -1.57 0.69 0.00 2.34 0.00 0.00 41.12 43.01 3k8b n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3k8b h PRO 95 N 3.67 0.00 0.00 -0.67 0.11 -1.97 -2.90 132.00 130.24 3k8b h PRO 95 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3k8b h PRO 95 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3k8b h PRO 95 CO 0.70 0.00 0.00 -0.39 -0.21 0.00 0.00 178.00 178.10 3k8b h VAL 96 N 0.00 0.00 0.02 3.15 -1.51 -2.02 -2.48 116.25 113.41 3k8b h VAL 96 Ca 0.13 -0.02 -0.22 0.00 -1.23 0.00 0.00 66.70 65.36 3k8b h VAL 96 Cb 0.54 1.00 -0.02 0.00 -2.13 0.00 0.00 31.29 30.68 3k8b h VAL 96 CO -0.00 0.00 -1.02 0.78 -1.23 0.00 0.00 177.57 176.10 3k8b h ASN 97 N 0.00 0.08 -0.29 4.19 -0.26 -1.90 -3.26 115.58 114.15 3k8b h ASN 97 Ca 0.00 -0.08 -0.11 0.00 -0.56 0.00 0.00 56.30 55.55 3k8b h ASN 97 Cb 0.02 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 37.24 3k8b h ASN 97 CO 0.00 1.05 -0.19 -0.26 -1.06 0.00 0.00 177.43 176.96 3k8b h PHE 98 N 0.02 0.84 -0.32 1.19 0.04 -1.61 -1.57 116.94 115.53 3k8b h PHE 98 Ca -0.03 -0.18 0.06 0.00 2.80 0.00 0.00 57.97 60.61 3k8b h PHE 98 Cb 1.77 -0.21 -0.08 0.00 2.20 0.00 0.00 35.95 39.63 3k8b h PHE 98 CO 0.01 0.88 -0.47 0.87 -0.60 0.00 0.00 178.31 179.00 3k8b h LYS 99 N 0.66 -0.39 -0.59 1.51 1.57 -1.67 -0.09 116.57 117.56 3k8b h LYS 99 Ca 0.10 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3k8b h LYS 99 Cb 0.69 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 3k8b h LYS 99 CO 0.05 -0.26 0.32 -0.07 -0.57 0.00 0.00 179.45 178.92 3k8b h LEU 100 N -0.41 0.73 -0.03 2.94 3.38 -1.47 -0.58 115.31 119.87 3k8b h LEU 100 Ca 0.10 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3k8b h LEU 100 Cb 0.61 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3k8b h LEU 100 CO -0.53 0.59 -0.07 0.25 0.09 0.00 0.00 178.44 178.77 3k8b h LEU 101 N 0.82 0.11 -0.92 1.67 5.85 -1.20 -2.95 115.31 118.69 3k8b h LEU 101 Ca 0.21 -0.59 0.08 0.00 0.84 0.00 0.00 57.88 58.42 3k8b h LEU 101 Cb 0.02 -0.03 -0.11 0.00 0.37 0.00 0.00 40.66 40.91 3k8b h LEU 101 CO -0.03 0.68 -0.54 0.61 -0.34 0.00 0.00 178.44 178.81 3k8b n GLY 102 N 0.51 -2.64 0.32 3.75 0.00 -0.06 -0.11 105.19 106.96 3k8b n GLY 102 Ca -0.08 1.14 0.12 0.00 0.00 0.00 0.00 46.02 47.19 3k8b n GLY 102 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3k8b h GLN 103 N 0.00 0.06 0.06 1.61 5.75 -1.14 -1.40 115.11 120.04 3k8b h GLN 103 Ca 0.15 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.64 3k8b h GLN 103 Cb 0.38 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.91 3k8b h GLN 103 CO -0.86 0.04 -0.03 0.00 -2.65 0.00 0.00 178.83 175.33 3k8b h PHE 105 N -0.51 -0.19 -0.95 0.00 3.04 -0.82 -0.35 116.94 117.16 3k8b h PHE 105 Ca -0.01 0.03 0.21 0.00 3.98 0.00 0.00 57.97 62.18 3k8b h PHE 105 Cb 0.45 0.13 -0.12 0.00 2.56 0.00 0.00 35.95 38.97 3k8b h PHE 105 CO 0.07 -0.14 0.52 -0.07 -2.02 0.00 0.00 178.31 176.67 3k8b h LEU 106 N -0.01 0.59 -0.98 0.59 3.38 -1.15 -0.19 115.31 117.54 3k8b h LEU 106 Ca 0.15 0.12 -0.09 0.00 0.09 0.00 0.00 57.88 58.16 3k8b h LEU 106 Cb 0.24 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3k8b h LEU 106 CO -0.32 0.14 -0.19 0.58 0.09 0.00 0.00 178.44 178.73 3k8b h VAL 107 N 0.59 1.25 0.87 1.22 2.07 0.37 -2.56 116.25 120.05 3k8b h VAL 107 Ca 0.58 -1.17 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 3k8b h VAL 107 Cb 1.01 1.25 0.01 0.00 -1.52 0.00 0.00 31.29 32.04 3k8b h VAL 107 CO -0.45 0.38 -0.44 0.58 0.02 0.00 0.00 177.57 177.66 3k8b h VAL 108 N 0.47 0.11 -0.62 2.57 2.07 0.36 -2.77 116.25 118.44 3k8b h VAL 108 Ca 0.08 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.68 3k8b h VAL 108 Cb 0.60 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 3k8b h VAL 108 CO 0.04 0.00 0.41 -0.37 0.02 0.00 0.00 177.57 177.67 3k8b h VAL 109 N -1.19 0.93 -0.08 2.57 -1.51 -1.32 0.19 116.25 115.85 3k8b h VAL 109 Ca -0.12 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.19 3k8b h VAL 109 Cb 0.92 0.40 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 3k8b h VAL 109 CO 0.18 0.09 0.00 0.00 -1.23 0.00 0.00 177.57 176.61 3k8b n ALA 110 N -2.50 2.54 -0.10 5.19 0.00 -0.97 -0.06 120.51 124.61 3k8b n ALA 110 Ca 0.10 -0.23 -0.15 0.00 0.00 0.00 0.00 53.44 53.16 3k8b n ALA 110 Cb 0.33 -1.14 -0.09 0.00 0.00 0.00 0.00 19.45 18.55 3k8b n ALA 110 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3k8b n ILE 111 N -0.33 1.13 0.86 0.00 5.41 0.64 -4.30 119.36 122.77 3k8b n ILE 111 Ca 0.10 -0.42 0.10 0.00 1.00 0.00 0.00 62.75 63.54 3k8b n ILE 111 Cb 0.13 -1.26 -0.13 0.00 -0.71 0.00 0.00 39.64 37.67 3k8b n ILE 111 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 3k8b n HIS 112 N -3.17 0.00 -3.01 1.39 8.25 -0.97 -4.58 115.22 113.13 3k8b n HIS 112 Ca -0.36 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 56.94 3k8b n HIS 112 Cb 0.86 -0.07 -0.00 0.00 1.12 0.00 0.00 29.99 31.91 3k8b n HIS 112 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3k8b n HIS 113 N -1.60 -1.36 -0.14 4.41 8.25 0.91 -4.99 115.22 120.71 3k8b n HIS 113 Ca 0.03 -2.96 -0.10 0.00 -0.26 0.00 0.00 57.72 54.43 3k8b n HIS 113 Cb 0.36 0.43 -0.01 0.00 1.12 0.00 0.00 29.99 31.89 3k8b n HIS 113 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3k8b h PRO 114 N 3.54 0.63 -0.17 -0.41 0.11 -1.75 -2.22 132.00 131.73 3k8b h PRO 114 Ca -0.00 -0.14 0.05 0.00 0.11 0.00 0.00 66.00 66.01 3k8b h PRO 114 Cb 0.98 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 3k8b h PRO 114 CO 0.38 0.64 0.12 0.00 -0.21 0.00 0.00 178.00 178.94 3k8b h ALA 115 N 0.96 2.16 0.15 -0.75 0.00 -1.94 -2.57 119.26 117.26 3k8b h ALA 115 Ca 0.13 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.74 3k8b h ALA 115 Cb 0.29 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.11 3k8b h ALA 115 CO -0.00 -0.21 -1.27 0.00 0.00 0.00 0.00 179.25 177.76 3k8b h ALA 116 N 1.91 0.04 -0.52 0.00 0.00 -1.82 -3.38 119.26 115.49 3k8b h ALA 116 Ca 0.08 -0.83 -0.73 0.00 0.00 0.00 0.00 54.91 53.43 3k8b h ALA 116 Cb 0.33 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.10 3k8b h ALA 116 CO -0.00 0.82 2.69 -0.11 0.00 0.00 0.00 179.25 182.64 3k8b n LEU 117 N -3.66 7.88 -4.70 0.00 7.94 -0.87 -4.80 117.00 118.77 3k8b n LEU 117 Ca -0.12 -4.69 -0.30 0.00 -1.11 0.00 0.00 56.01 49.79 3k8b n LEU 117 Cb 1.02 -1.44 0.14 0.00 0.53 0.00 0.00 43.42 43.67 3k8b n LEU 117 CO 0.56 1.88 0.66 0.42 -1.11 0.00 0.00 177.39 179.81 3k8b s THR 118 N 0.07 2.67 0.20 1.96 -4.23 -1.26 -4.52 115.64 110.53 3k8b s THR 118 Ca 0.54 0.22 -0.17 0.00 -1.18 0.00 0.00 61.69 61.10 3k8b s THR 118 Cb 0.16 -2.59 0.19 0.00 1.34 0.00 0.00 72.50 71.61 3k8b s THR 118 CO -0.07 -0.29 1.60 -0.65 -0.54 0.00 0.00 174.62 174.68 3k8b h PRO 119 N -1.59 -0.08 -0.56 3.99 0.11 -1.96 0.31 132.00 132.21 3k8b h PRO 119 Ca -0.48 0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.74 3k8b h PRO 119 Cb 1.27 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.32 3k8b h PRO 119 CO 0.51 -0.05 0.09 0.93 -0.21 0.00 0.00 178.00 179.27 3k8b h GLU 120 N -0.08 0.22 -0.19 1.05 3.07 -1.97 -1.31 114.58 115.36 3k8b h GLU 120 Ca 0.28 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 59.05 3k8b h GLU 120 Cb 0.52 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.38 3k8b h GLU 120 CO -0.68 0.14 -0.16 0.28 -1.40 0.00 0.00 179.01 177.19 3k8b h VAL 121 N 0.22 1.33 -0.70 3.13 2.07 -1.54 -2.46 116.25 118.29 3k8b h VAL 121 Ca 0.29 -1.30 0.15 0.00 0.82 0.00 0.00 66.70 66.66 3k8b h VAL 121 Cb 0.42 1.76 -0.12 0.00 -1.52 0.00 0.00 31.29 31.83 3k8b h VAL 121 CO -0.39 0.39 -0.00 -0.74 0.02 0.00 0.00 177.57 176.85 3k8b h HIS 122 N 0.11 -0.06 -0.36 1.57 6.17 -0.11 -0.85 115.15 121.64 3k8b h HIS 122 Ca 0.03 0.05 -0.06 0.00 0.71 0.00 0.00 60.37 61.11 3k8b h HIS 122 Cb 0.69 0.13 -0.01 0.00 2.52 0.00 0.00 27.41 30.74 3k8b h HIS 122 CO 0.08 -0.21 0.00 0.00 0.71 0.00 0.00 177.93 178.51 3k8b h ALA 123 N 1.65 0.48 -0.15 5.26 0.00 -1.00 0.78 119.26 126.29 3k8b h ALA 123 Ca 0.37 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3k8b h ALA 123 Cb 0.64 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3k8b h ALA 123 CO -0.61 0.24 0.08 0.77 0.00 0.00 0.00 179.25 179.73 3k8b h SER 124 N 0.44 0.18 -0.76 0.00 0.02 -1.14 -2.83 113.55 109.46 3k8b h SER 124 Ca 0.10 -0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 3k8b h SER 124 Cb 0.45 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.90 3k8b h SER 124 CO 0.02 0.19 0.50 0.25 -1.14 0.00 0.00 176.83 176.65 3k8b h LEU 125 N 0.15 0.81 -0.75 5.07 6.46 -0.91 -0.02 115.31 126.12 3k8b h LEU 125 Ca 0.05 -0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.82 3k8b h LEU 125 Cb 0.05 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 39.75 3k8b h LEU 125 CO -0.01 0.56 0.49 -0.78 -0.62 0.00 0.00 178.44 178.08 3k8b h ASP 126 N 0.94 0.82 -0.26 1.25 3.58 -0.74 -1.31 116.42 120.69 3k8b h ASP 126 Ca 0.30 -0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.66 3k8b h ASP 126 Cb 0.03 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 3k8b h ASP 126 CO -0.08 0.58 -0.14 0.11 -2.88 0.00 0.00 179.24 176.82 3k8b h LYS 127 N 0.97 0.56 0.22 0.28 1.57 -0.81 -0.85 116.57 118.51 3k8b h LYS 127 Ca 0.29 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3k8b h LYS 127 Cb -0.04 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3k8b h LYS 127 CO -0.09 0.81 -0.16 0.35 -0.57 0.00 0.00 179.45 179.80 3k8b h PHE 128 N 0.29 -0.41 -0.59 -1.35 3.57 -1.09 0.77 116.94 118.13 3k8b h PHE 128 Ca 0.06 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.62 3k8b h PHE 128 Cb 0.65 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.49 3k8b h PHE 128 CO 0.06 -0.24 0.29 -0.07 -2.23 0.00 0.00 178.31 176.12 3k8b h LEU 129 N -0.38 0.40 -0.50 0.59 3.38 -1.23 0.30 115.31 117.87 3k8b h LEU 129 Ca -0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3k8b h LEU 129 Cb 0.33 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3k8b h LEU 129 CO 0.00 0.26 0.00 0.00 0.09 0.00 0.00 178.44 178.79 3k8b h ALA 131 N 2.31 0.44 -0.00 0.00 0.00 0.28 -3.04 119.26 119.24 3k8b h ALA 131 Ca 0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 54.91 54.13 3k8b h ALA 131 Cb 0.55 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3k8b h ALA 131 CO 0.00 0.97 -0.02 0.28 0.00 0.00 0.00 179.25 180.48 3k8b h VAL 132 N 0.08 1.60 -0.80 0.00 2.07 0.99 -2.80 116.25 117.40 3k8b h VAL 132 Ca -0.05 -1.80 0.14 0.00 0.82 0.00 0.00 66.70 65.81 3k8b h VAL 132 Cb 1.61 2.82 -0.09 0.00 -1.52 0.00 0.00 31.29 34.10 3k8b h VAL 132 CO 0.14 0.47 0.38 1.23 0.02 0.00 0.00 177.57 179.81 3k8b h GLY 133 N -0.73 1.27 1.18 2.17 0.00 0.24 -1.61 103.07 105.59 3k8b h GLY 133 Ca -0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 3k8b h GLY 133 CO 0.00 -0.06 0.16 -0.84 0.00 0.00 0.00 176.54 175.80 3k8b h THR 134 N 0.54 1.25 -0.30 4.70 2.02 -1.60 -2.56 112.91 116.97 3k8b h THR 134 Ca 0.44 -0.92 -0.05 0.00 0.77 0.00 0.00 66.41 66.65 3k8b h THR 134 Cb 0.64 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 3k8b h THR 134 CO -0.38 0.35 -0.02 0.58 0.37 0.00 0.00 175.52 176.42 3k8b h VAL 135 N 0.98 1.27 0.00 3.16 2.07 -1.04 -3.08 116.25 119.60 3k8b h VAL 135 Ca 0.21 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.73 3k8b h VAL 135 Cb 0.34 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3k8b h VAL 135 CO 0.00 0.32 0.00 0.18 0.02 0.00 0.00 177.57 178.09 3k8b n LEU 136 N -4.54 0.00 -1.09 2.57 4.77 -0.76 -2.13 117.00 115.81 3k8b n LEU 136 Ca -0.03 0.37 0.12 0.00 -0.03 0.00 0.00 56.01 56.44 3k8b n LEU 136 Cb 0.28 -0.37 0.19 0.00 -2.33 0.00 0.00 43.42 41.19 3k8b n LEU 136 CO 0.39 -0.07 0.69 0.35 -1.33 0.00 0.00 177.39 177.42 3k8b n THR 137 N -1.37 0.35 0.17 -5.08 -2.24 -0.98 -3.38 114.28 101.76 3k8b n THR 137 Ca 0.09 -0.67 0.05 0.00 -2.27 0.00 0.00 64.05 61.25 3k8b n THR 137 Cb 0.22 1.11 0.21 0.00 -2.10 0.00 0.00 70.33 69.78 3k8b n THR 137 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k8b h ALA 138 N 4.57 0.85 0.00 6.98 0.00 -1.43 -3.36 119.26 126.87 3k8b h ALA 138 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3k8b h ALA 138 Cb 0.98 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3k8b h ALA 138 CO 0.00 0.53 0.00 1.63 0.00 0.00 0.00 179.25 181.41 3k8b n LYS 139 N -3.38 0.12 0.00 0.00 4.01 -1.26 0.18 118.16 117.83 3k8b n LYS 139 Ca 0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.81 3k8b n LYS 139 Cb 0.60 -1.44 0.00 0.00 -0.51 0.00 0.00 35.03 33.68 3k8b n LYS 139 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 3k8b n TYR 140 N 1.65 0.00 0.20 2.13 0.53 -1.26 -4.55 117.16 115.87 3k8b n TYR 140 Ca 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 57.90 56.90 3k8b n TYR 140 Cb 0.06 0.22 0.02 0.00 -1.03 0.00 0.00 39.34 38.61 3k8b n TYR 140 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38