#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k6l s LEU 3 N 0.00 2.69 -0.11 7.52 1.43 -1.26 -5.00 118.68 123.95 3k6l s LEU 3 Ca 0.00 1.14 -0.13 0.00 -1.03 0.00 0.00 54.13 54.11 3k6l s LEU 3 Cb 0.00 -3.80 -0.05 0.00 0.03 0.00 0.00 46.19 42.37 3k6l s LEU 3 CO 0.00 -1.71 0.30 -1.58 0.23 0.00 0.00 176.35 173.60 3k6l s GLN 4 N -5.31 4.05 -0.12 1.70 0.74 -1.26 -4.87 119.66 114.58 3k6l s GLN 4 Ca 0.60 0.15 -0.22 0.00 0.05 0.00 0.00 55.36 55.95 3k6l s GLN 4 Cb -0.12 -3.34 -0.03 0.00 1.10 0.00 0.00 33.01 30.61 3k6l s GLN 4 CO 0.52 0.43 0.63 0.08 -0.55 0.00 0.00 175.29 176.41 3k6l s VAL 5 N -0.14 5.06 -0.05 1.34 1.01 -1.26 -4.34 120.40 122.02 3k6l s VAL 5 Ca 0.18 1.26 -0.29 0.00 0.00 0.00 0.00 61.98 63.14 3k6l s VAL 5 Cb -0.14 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 3k6l s VAL 5 CO 0.06 0.22 0.96 -0.76 0.00 0.00 0.00 175.10 175.59 3k6l s LEU 6 N 1.14 4.31 0.19 3.92 1.43 -0.17 -5.04 118.68 124.47 3k6l s LEU 6 Ca 0.32 1.55 -0.02 0.00 -1.03 0.00 0.00 54.13 54.96 3k6l s LEU 6 Cb -0.16 -3.51 -0.05 0.00 0.03 0.00 0.00 46.19 42.50 3k6l s LEU 6 CO 0.14 -0.33 0.40 -1.00 0.23 0.00 0.00 176.35 175.79 3k6l s HIS 7 N 1.42 3.48 0.73 0.29 3.76 -1.26 -4.27 115.29 119.44 3k6l s HIS 7 Ca 0.49 0.40 -0.12 0.00 -0.15 0.00 0.00 55.06 55.68 3k6l s HIS 7 Cb -0.20 -1.90 0.04 0.00 1.11 0.00 0.00 32.58 31.63 3k6l s HIS 7 CO 0.23 0.38 1.10 0.96 -0.85 0.00 0.00 174.74 176.55 3k6l s ILE 8 N -1.84 3.30 -2.01 0.60 -4.36 0.32 -2.72 121.20 114.48 3k6l s ILE 8 Ca 0.39 0.48 0.06 0.00 -0.26 0.00 0.00 60.65 61.32 3k6l s ILE 8 Cb -0.11 -2.98 0.17 0.00 1.25 0.00 0.00 42.46 40.79 3k6l s ILE 8 CO 0.28 -0.49 1.19 -2.65 0.24 0.00 0.00 174.94 173.51 3k6l n PRO 9 N -3.15 1.20 -0.50 0.37 -0.02 -1.26 -5.03 135.00 126.61 3k6l n PRO 9 Ca 0.09 -0.31 -0.19 0.00 -2.02 0.00 0.00 63.50 61.07 3k6l n PRO 9 Cb 0.53 -1.12 -0.03 0.00 -0.02 0.00 0.00 33.50 32.86 3k6l n PRO 9 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3k6l n ASP 10 N -0.30 0.20 0.23 2.55 -0.08 -1.10 -4.85 116.55 113.20 3k6l n ASP 10 Ca 0.05 0.36 0.13 0.00 -1.51 0.00 0.00 54.79 53.82 3k6l n ASP 10 Cb 0.09 -0.27 0.39 0.00 2.34 0.00 0.00 41.12 43.66 3k6l n ASP 10 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 3k6l h GLU 11 N 1.25 0.00 0.00 -0.67 4.57 -2.00 -3.00 114.58 114.73 3k6l h GLU 11 Ca -0.14 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 3k6l h GLU 11 Cb 0.43 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 3k6l h GLU 11 CO 0.25 0.08 0.00 0.00 -1.18 0.00 0.00 179.01 178.16 3k6l h ARG 12 N 0.00 0.00 0.00 1.92 3.08 -1.98 -1.85 114.38 115.55 3k6l h ARG 12 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3k6l h ARG 12 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 3k6l h ARG 12 CO 0.01 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.19 3k6l n LEU 13 N -2.62 0.00 -0.92 3.04 4.77 -1.13 -3.25 117.00 116.88 3k6l n LEU 13 Ca 0.01 0.49 0.12 0.00 -0.03 0.00 0.00 56.01 56.60 3k6l n LEU 13 Cb 0.25 -0.49 0.09 0.00 -2.33 0.00 0.00 43.42 40.94 3k6l n LEU 13 CO 0.23 -0.13 0.61 0.54 -1.33 0.00 0.00 177.39 177.31 3k6l n ARG 14 N -1.49 2.22 -2.59 3.23 5.12 -0.70 -4.46 116.66 118.00 3k6l n ARG 14 Ca 0.05 -1.86 -0.39 0.00 -1.93 0.00 0.00 57.85 53.72 3k6l n ARG 14 Cb 0.25 -1.45 -0.05 0.00 -1.16 0.00 0.00 32.46 30.05 3k6l n ARG 14 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3k6l s LYS 15 N -2.00 4.62 -0.23 5.56 1.02 -1.20 -4.42 119.74 123.08 3k6l s LYS 15 Ca 0.27 1.63 -0.22 0.00 0.02 0.00 0.00 55.97 57.66 3k6l s LYS 15 Cb 0.20 -3.08 -0.01 0.00 -0.52 0.00 0.00 37.83 34.41 3k6l s LYS 15 CO 0.31 0.25 0.72 0.08 -0.92 0.00 0.00 175.35 175.80 3k6l s VAL 16 N -1.29 4.92 0.41 3.17 1.01 -1.26 -3.78 120.40 123.59 3k6l s VAL 16 Ca 0.46 1.35 -0.24 0.00 0.00 0.00 0.00 61.98 63.55 3k6l s VAL 16 Cb -0.28 -4.02 -0.08 0.00 0.00 0.00 0.00 36.38 32.00 3k6l s VAL 16 CO 0.35 -0.00 1.16 0.00 0.00 0.00 0.00 175.10 176.60 3k6l s ALA 17 N 2.52 3.10 0.39 5.51 0.00 -0.62 -5.00 121.76 127.66 3k6l s ALA 17 Ca 0.31 0.93 -0.17 0.00 0.00 0.00 0.00 51.96 53.03 3k6l s ALA 17 Cb -0.16 -3.37 -0.09 0.00 0.00 0.00 0.00 23.12 19.50 3k6l s ALA 17 CO 0.09 -0.53 0.85 0.15 0.00 0.00 0.00 175.76 176.31 3k6l s LYS 18 N -2.42 4.06 0.44 0.00 1.02 -0.65 -4.75 119.74 117.45 3k6l s LYS 18 Ca 0.59 0.85 -0.26 0.00 0.02 0.00 0.00 55.97 57.17 3k6l s LYS 18 Cb -0.29 -2.30 -0.09 0.00 -0.52 0.00 0.00 37.83 34.63 3k6l s LYS 18 CO 0.36 0.02 1.45 -2.30 -0.92 0.00 0.00 175.35 173.97 3k6l n PRO 19 N -0.68 2.35 -1.95 -1.68 -0.02 -1.26 -1.55 135.00 130.21 3k6l n PRO 19 Ca 0.05 0.84 -0.43 0.00 -2.02 0.00 0.00 63.50 61.94 3k6l n PRO 19 Cb 0.54 -2.65 -0.03 0.00 -0.02 0.00 0.00 33.50 31.34 3k6l n PRO 19 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3k6l s VAL 20 N -1.18 3.45 0.06 -1.45 1.01 -1.26 -4.82 120.40 116.21 3k6l s VAL 20 Ca 0.59 0.49 -0.23 0.00 0.00 0.00 0.00 61.98 62.83 3k6l s VAL 20 Cb -0.45 -3.51 -0.14 0.00 0.00 0.00 0.00 36.38 32.28 3k6l s VAL 20 CO 0.59 -0.26 1.58 -0.08 0.00 0.00 0.00 175.10 176.93 3k6l h GLU 21 N 12.13 0.11 -3.01 2.72 4.22 -2.01 -3.44 114.58 125.29 3k6l h GLU 21 Ca -0.36 -0.02 -0.19 0.00 0.08 0.00 0.00 59.36 58.87 3k6l h GLU 21 Cb 1.18 -0.02 -0.29 0.00 0.50 0.00 0.00 28.75 30.12 3k6l h GLU 21 CO 1.00 0.26 -0.46 -2.00 -2.18 0.00 0.00 179.01 175.62 3k6l s GLU 22 N -5.46 0.23 -0.13 1.92 2.12 -1.26 -5.13 118.70 110.99 3k6l s GLU 22 Ca -0.14 0.53 -0.29 0.00 0.36 0.00 0.00 54.97 55.42 3k6l s GLU 22 Cb 0.05 -0.08 -0.01 0.00 0.26 0.00 0.00 34.13 34.35 3k6l s GLU 22 CO 0.68 -0.15 1.07 0.08 -0.54 0.00 0.00 175.26 176.41 3k6l s VAL 23 N 1.14 4.61 0.00 3.70 1.01 -1.26 -4.88 120.40 124.73 3k6l s VAL 23 Ca -0.08 1.91 0.00 0.00 0.00 0.00 0.00 61.98 63.80 3k6l s VAL 23 Cb -0.09 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.06 3k6l s VAL 23 CO -0.08 -0.05 0.00 -0.46 0.00 0.00 0.00 175.10 174.52 3k6l n ASN 24 N 5.44 0.00 0.26 3.32 2.04 -1.26 -5.01 115.26 120.05 3k6l n ASN 24 Ca 0.10 -0.92 0.08 0.00 -0.44 0.00 0.00 54.58 53.41 3k6l n ASN 24 Cb 0.47 0.00 0.65 0.00 -2.53 0.00 0.00 39.78 38.37 3k6l n ASN 24 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3k6l h ALA 25 N 1.35 1.95 -0.06 -2.53 0.00 -1.99 -1.23 119.26 116.74 3k6l h ALA 25 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3k6l h ALA 25 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3k6l h ALA 25 CO 0.00 0.01 -0.21 1.49 0.00 0.00 0.00 179.25 180.55 3k6l h GLU 26 N 0.00 0.25 -0.24 0.00 4.81 -1.97 -2.64 114.58 114.79 3k6l h GLU 26 Ca -0.00 -0.19 0.05 0.00 -0.13 0.00 0.00 59.36 59.10 3k6l h GLU 26 Cb 0.02 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.38 3k6l h GLU 26 CO 0.00 0.81 -0.11 0.82 -0.73 0.00 0.00 179.01 179.80 3k6l h ILE 27 N -0.27 0.64 -0.46 2.32 1.08 -1.73 0.76 117.51 119.85 3k6l h ILE 27 Ca -0.01 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.40 3k6l h ILE 27 Cb 0.84 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 35.20 3k6l h ILE 27 CO 0.04 0.00 0.05 1.56 -0.69 0.00 0.00 178.15 179.11 3k6l h GLN 28 N -0.08 0.72 0.00 2.37 4.20 -1.35 -1.57 115.11 119.40 3k6l h GLN 28 Ca 0.13 -0.16 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 3k6l h GLN 28 Cb 0.28 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 3k6l h GLN 28 CO -0.29 0.70 -0.48 -0.09 -0.67 0.00 0.00 178.83 178.00 3k6l h ARG 29 N 0.69 0.00 -0.14 1.46 2.43 -1.05 0.59 114.38 118.36 3k6l h ARG 29 Ca 0.15 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3k6l h ARG 29 Cb 0.35 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3k6l h ARG 29 CO 0.01 0.48 0.00 0.82 -1.51 0.00 0.00 179.97 179.78 3k6l h ILE 30 N 0.00 1.25 -0.82 1.20 2.04 -0.38 -2.34 117.51 118.45 3k6l h ILE 30 Ca -0.00 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 65.06 3k6l h ILE 30 Cb 1.08 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 38.63 3k6l h ILE 30 CO 0.06 0.23 0.53 0.58 0.00 0.00 0.00 178.15 179.56 3k6l h VAL 31 N -0.02 1.21 -0.01 1.67 2.07 -1.05 0.18 116.25 120.30 3k6l h VAL 31 Ca 0.04 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.19 3k6l h VAL 31 Cb 0.35 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 3k6l h VAL 31 CO 0.01 0.21 -0.19 0.44 0.02 0.00 0.00 177.57 178.06 3k6l h ASP 32 N 1.11 -0.55 0.54 0.57 5.19 -0.80 -0.81 116.42 121.67 3k6l h ASP 32 Ca 0.30 0.08 -0.11 0.00 -0.62 0.00 0.00 57.03 56.68 3k6l h ASP 32 Cb -0.11 0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.61 3k6l h ASP 32 CO -0.06 -0.25 -0.53 0.44 -3.12 0.00 0.00 179.24 175.71 3k6l h ASP 33 N -0.30 0.00 -0.28 6.45 3.32 -0.94 -1.68 116.42 122.99 3k6l h ASP 33 Ca 0.06 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 3k6l h ASP 33 Cb 0.38 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3k6l h ASP 33 CO -0.18 0.53 -0.05 0.24 -1.72 0.00 0.00 179.24 178.06 3k6l h MET 34 N 0.00 0.53 -0.61 3.56 2.86 -0.41 0.20 114.93 121.05 3k6l h MET 34 Ca -0.01 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.41 3k6l h MET 34 Cb 0.94 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.54 3k6l h MET 34 CO 0.07 0.72 0.28 0.74 1.06 0.00 0.00 176.91 179.78 3k6l h PHE 35 N 0.30 0.90 -0.69 -0.22 0.04 -1.09 -0.16 116.94 116.02 3k6l h PHE 35 Ca 0.07 -0.05 0.03 0.00 2.80 0.00 0.00 57.97 60.82 3k6l h PHE 35 Cb 0.51 -0.28 -0.04 0.00 2.20 0.00 0.00 35.95 38.35 3k6l h PHE 35 CO 0.05 0.69 0.45 1.49 -0.60 0.00 0.00 178.31 180.39 3k6l h GLU 36 N 0.85 0.82 -0.02 1.51 4.81 -1.14 -0.72 114.58 120.68 3k6l h GLU 36 Ca 0.21 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.24 3k6l h GLU 36 Cb 0.14 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3k6l h GLU 36 CO -0.02 0.54 -0.69 1.15 -0.73 0.00 0.00 179.01 179.26 3k6l h THR 37 N 0.84 1.45 -0.02 0.32 2.02 -0.17 -3.09 112.91 114.27 3k6l h THR 37 Ca 0.27 -2.26 -0.10 0.00 0.77 0.00 0.00 66.41 65.09 3k6l h THR 37 Cb 0.04 2.21 0.01 0.00 -1.74 0.00 0.00 68.15 68.66 3k6l h THR 37 CO -0.07 0.66 -0.36 -0.03 0.37 0.00 0.00 175.52 176.08 3k6l h MET 38 N 0.08 0.28 0.00 6.66 1.85 -0.09 -3.22 114.93 120.50 3k6l h MET 38 Ca -0.01 -0.28 0.00 0.00 -0.61 0.00 0.00 59.70 58.80 3k6l h MET 38 Cb 1.23 0.07 0.00 0.00 0.43 0.00 0.00 31.60 33.33 3k6l h MET 38 CO 0.10 0.97 0.00 0.66 -0.40 0.00 0.00 176.91 178.23 3k6l n TYR 39 N -4.41 0.00 0.54 1.39 4.01 -0.37 -3.01 117.16 115.31 3k6l n TYR 39 Ca -0.10 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.77 3k6l n TYR 39 Cb 0.55 -0.24 0.30 0.00 -0.31 0.00 0.00 39.34 39.64 3k6l n TYR 39 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k6l h ALA 40 N 3.13 0.87 0.00 -0.72 0.00 -1.54 -3.36 119.26 117.65 3k6l h ALA 40 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3k6l h ALA 40 Cb 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 17.75 3k6l h ALA 40 CO 0.00 0.00 -0.78 -1.91 0.00 0.00 0.00 179.25 176.56 3k6l n GLU 41 N -2.35 0.12 0.00 0.00 4.07 -1.16 -5.01 120.64 116.31 3k6l n GLU 41 Ca 0.05 -1.72 0.00 0.00 -0.06 0.00 0.00 57.16 55.42 3k6l n GLU 41 Cb 0.45 -0.31 0.00 0.00 -0.06 0.00 0.00 31.44 31.52 3k6l n GLU 41 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 3k6l n GLU 42 N 0.17 0.00 -1.09 5.31 2.13 -1.21 -4.95 120.64 121.01 3k6l n GLU 42 Ca 0.05 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.52 3k6l n GLU 42 Cb 0.95 -3.09 0.09 0.00 0.27 0.00 0.00 31.44 29.65 3k6l n GLU 42 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3k6l n GLY 43 N -1.86 -1.80 1.14 8.31 0.00 -1.19 -4.95 105.19 104.84 3k6l n GLY 43 Ca 0.00 -0.53 0.08 0.00 0.00 0.00 0.00 46.02 45.57 3k6l n GLY 43 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3k6l n ILE 44 N -2.82 1.75 0.00 -0.61 -5.35 -1.26 -4.70 119.36 106.38 3k6l n ILE 44 Ca 0.08 -1.34 0.00 0.00 -0.27 0.00 0.00 62.75 61.23 3k6l n ILE 44 Cb 0.51 0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.53 3k6l n ILE 44 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3k6l n GLY 45 N 0.50 2.40 2.89 3.28 0.00 -1.26 -3.06 105.19 109.94 3k6l n GLY 45 Ca 0.21 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 3k6l n GLY 45 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k6l s LEU 46 N 0.00 1.47 0.08 0.99 2.96 0.12 -4.98 118.68 119.33 3k6l s LEU 46 Ca 0.00 0.11 0.04 0.00 -0.22 0.00 0.00 54.13 54.07 3k6l s LEU 46 Cb 0.00 0.14 -0.04 0.00 0.50 0.00 0.00 46.19 46.79 3k6l s LEU 46 CO 0.00 -0.06 0.02 0.00 -1.32 0.00 0.00 176.35 174.99 3k6l s ALA 47 N 0.45 3.38 0.42 5.97 0.00 -1.26 -1.13 121.76 129.58 3k6l s ALA 47 Ca -0.04 -1.08 0.10 0.00 0.00 0.00 0.00 51.96 50.94 3k6l s ALA 47 Cb -0.05 -1.27 0.89 0.00 0.00 0.00 0.00 23.12 22.69 3k6l s ALA 47 CO -0.02 0.72 2.01 0.00 0.00 0.00 0.00 175.76 178.47 3k6l h ALA 48 N 3.42 1.67 -0.94 0.00 0.00 -1.41 -2.08 119.26 119.92 3k6l h ALA 48 Ca -0.47 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.42 3k6l h ALA 48 Cb 1.16 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 3k6l h ALA 48 CO 0.62 0.26 0.61 1.15 0.00 0.00 0.00 179.25 181.88 3k6l h THR 49 N 0.32 1.01 0.00 0.00 2.02 -1.70 -1.31 112.91 113.25 3k6l h THR 49 Ca 0.08 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 3k6l h THR 49 Cb 0.14 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.46 3k6l h THR 49 CO -0.00 0.18 -0.04 1.56 0.37 0.00 0.00 175.52 177.59 3k6l h GLN 50 N 1.01 0.00 -0.53 6.66 4.20 -1.66 -2.32 115.11 122.47 3k6l h GLN 50 Ca 0.43 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.86 3k6l h GLN 50 Cb 0.31 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 27.93 3k6l h GLN 50 CO -0.18 0.04 0.10 1.33 -0.67 0.00 0.00 178.83 179.45 3k6l n VAL 51 N -3.29 2.74 -2.20 -0.54 0.24 -0.62 -0.99 118.33 113.67 3k6l n VAL 51 Ca -0.02 -2.57 -0.16 0.00 -2.04 0.00 0.00 64.34 59.55 3k6l n VAL 51 Cb 0.19 -0.37 -0.02 0.00 -1.47 0.00 0.00 33.84 32.16 3k6l n VAL 51 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3k6l n ASP 52 N -1.13 -4.75 -4.28 -1.34 4.64 -0.87 -4.85 116.55 103.97 3k6l n ASP 52 Ca 0.41 0.17 -0.35 0.00 -1.38 0.00 0.00 54.79 53.63 3k6l n ASP 52 Cb 1.20 -4.06 -0.14 0.00 -1.04 0.00 0.00 41.12 37.08 3k6l n ASP 52 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3k6l s ILE 53 N -2.72 3.28 -0.90 5.18 1.01 -0.59 -5.02 121.20 121.45 3k6l s ILE 53 Ca 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 60.65 59.95 3k6l s ILE 53 Cb 0.00 -2.57 0.34 0.00 0.01 0.00 0.00 42.46 40.24 3k6l s ILE 53 CO 0.00 0.31 1.87 1.41 0.00 0.00 0.00 174.94 178.53 3k6l n HIS 54 N 4.77 2.95 -4.27 3.97 8.25 -1.26 -2.28 115.22 127.35 3k6l n HIS 54 Ca -0.17 -2.51 -0.22 0.00 -0.26 0.00 0.00 57.72 54.56 3k6l n HIS 54 Cb 0.49 -1.12 -0.12 0.00 1.12 0.00 0.00 29.99 30.36 3k6l n HIS 54 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3k6l s GLN 55 N -4.14 1.08 -1.10 -0.41 -0.21 -1.26 -1.64 119.66 111.98 3k6l s GLN 55 Ca 0.46 -1.17 -0.22 0.00 0.02 0.00 0.00 55.36 54.45 3k6l s GLN 55 Cb 0.33 -1.23 -0.02 0.00 1.00 0.00 0.00 33.01 33.10 3k6l s GLN 55 CO -0.28 0.27 1.80 1.03 -2.12 0.00 0.00 175.29 175.99 3k6l s ARG 56 N -2.09 3.05 -0.04 2.91 0.52 -0.60 -4.58 118.95 118.12 3k6l s ARG 56 Ca 0.06 -1.11 0.02 0.00 -0.52 0.00 0.00 55.73 54.19 3k6l s ARG 56 Cb -0.09 -5.28 0.01 0.00 0.52 0.00 0.00 34.95 30.11 3k6l s ARG 56 CO 0.04 -3.10 -0.09 0.42 0.02 0.00 0.00 175.30 172.59 3k6l s ILE 57 N 8.11 0.81 -0.02 1.52 1.01 -1.26 -0.95 121.20 130.42 3k6l s ILE 57 Ca 0.61 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.96 3k6l s ILE 57 Cb -0.01 -0.76 0.01 0.00 0.01 0.00 0.00 42.46 41.71 3k6l s ILE 57 CO 0.04 0.27 -0.05 -0.63 0.00 0.00 0.00 174.94 174.57 3k6l s ILE 58 N 0.56 0.51 -0.07 2.92 1.01 0.44 -1.21 121.20 125.37 3k6l s ILE 58 Ca -0.09 -0.18 0.06 0.00 0.00 0.00 0.00 60.65 60.43 3k6l s ILE 58 Cb -0.13 -0.49 -0.01 0.00 0.01 0.00 0.00 42.46 41.85 3k6l s ILE 58 CO 0.01 0.18 -0.24 0.68 0.00 0.00 0.00 174.94 175.57 3k6l s VAL 59 N 0.42 2.10 0.02 2.92 -7.23 -0.28 -0.66 120.40 117.68 3k6l s VAL 59 Ca -0.05 -1.04 0.01 0.00 -1.81 0.00 0.00 61.98 59.08 3k6l s VAL 59 Cb -0.09 -1.77 -0.01 0.00 0.56 0.00 0.00 36.38 35.07 3k6l s VAL 59 CO -0.00 0.57 -0.03 -0.63 -0.31 0.00 0.00 175.10 174.69 3k6l s ILE 60 N -0.07 0.20 0.40 -0.62 1.01 -0.15 -0.70 121.20 121.27 3k6l s ILE 60 Ca -0.06 -0.61 0.08 0.00 0.00 0.00 0.00 60.65 60.05 3k6l s ILE 60 Cb -0.15 -0.27 -0.02 0.00 0.01 0.00 0.00 42.46 42.03 3k6l s ILE 60 CO 0.05 -0.26 0.35 -0.62 0.00 0.00 0.00 174.94 174.45 3k6l s ASP 61 N -0.92 5.06 0.00 3.58 -1.08 -1.17 -2.07 116.67 120.08 3k6l s ASP 61 Ca -0.08 -0.71 0.00 0.00 -0.52 0.00 0.00 52.55 51.23 3k6l s ASP 61 Cb -0.06 -0.64 0.00 0.00 -1.46 0.00 0.00 42.92 40.76 3k6l s ASP 61 CO -0.00 -0.59 0.00 -0.90 0.52 0.00 0.00 175.17 174.20 3k6l n ASP 67 N -1.50 0.00 -3.78 -0.34 5.68 -1.26 -4.94 116.55 110.42 3k6l n ASP 67 Ca 0.02 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.19 3k6l n ASP 67 Cb 0.61 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.47 3k6l n ASP 67 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 3k6l s GLU 68 N 0.00 0.26 -0.00 0.11 -6.30 -1.26 -5.16 118.70 106.34 3k6l s GLU 68 Ca 0.00 0.37 0.02 0.00 -2.50 0.00 0.00 54.97 52.86 3k6l s GLU 68 Cb 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 34.13 34.21 3k6l s GLU 68 CO 0.00 -0.06 -0.07 1.03 0.02 0.00 0.00 175.26 176.18 3k6l s ARG 69 N 0.35 0.55 -0.15 4.30 0.52 -1.26 -5.04 118.95 118.23 3k6l s ARG 69 Ca -0.02 -0.26 -0.05 0.00 -0.52 0.00 0.00 55.73 54.88 3k6l s ARG 69 Cb -0.03 -0.53 0.07 0.00 0.52 0.00 0.00 34.95 34.98 3k6l s ARG 69 CO -0.01 0.14 0.29 -1.17 0.02 0.00 0.00 175.30 174.57 3k6l s LEU 70 N -0.22 -0.37 -0.09 2.53 2.96 -0.88 -5.03 118.68 117.59 3k6l s LEU 70 Ca 0.02 0.64 0.00 0.00 -0.22 0.00 0.00 54.13 54.57 3k6l s LEU 70 Cb -0.03 0.82 -0.03 0.00 0.50 0.00 0.00 46.19 47.45 3k6l s LEU 70 CO -0.00 -0.24 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.02 3k6l s VAL 71 N 2.46 3.60 -0.27 1.68 1.01 -1.26 -0.98 120.40 126.64 3k6l s VAL 71 Ca 0.01 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 3k6l s VAL 71 Cb -0.12 -2.49 0.08 0.00 0.00 0.00 0.00 36.38 33.84 3k6l s VAL 71 CO -0.10 0.57 0.03 -0.76 0.00 0.00 0.00 175.10 174.85 3k6l s LEU 72 N -0.43 2.46 -0.15 3.92 1.02 0.16 -4.51 118.68 121.16 3k6l s LEU 72 Ca 0.06 -1.40 -0.02 0.00 0.02 0.00 0.00 54.13 52.78 3k6l s LEU 72 Cb -0.12 -1.01 -0.02 0.00 0.02 0.00 0.00 46.19 45.06 3k6l s LEU 72 CO 0.02 -0.33 -0.07 -0.63 0.02 0.00 0.00 176.35 175.35 3k6l s ILE 73 N 1.50 3.56 -1.29 -0.59 1.01 -0.49 -0.42 121.20 124.48 3k6l s ILE 73 Ca 0.03 -0.48 -0.04 0.00 0.00 0.00 0.00 60.65 60.16 3k6l s ILE 73 Cb -0.18 -2.54 -0.00 0.00 0.01 0.00 0.00 42.46 39.75 3k6l s ILE 73 CO -0.14 0.50 0.64 0.59 0.00 0.00 0.00 174.94 176.54 3k6l n ASN 74 N 3.54 -1.96 -4.77 3.58 3.02 -0.13 -1.05 115.26 117.49 3k6l n ASN 74 Ca -0.18 -0.91 -0.40 0.00 -0.03 0.00 0.00 54.58 53.07 3k6l n ASN 74 Cb 0.53 -3.68 -0.01 0.00 -0.61 0.00 0.00 39.78 36.01 3k6l n ASN 74 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3k6l s PRO 75 N -6.08 4.10 -0.06 3.52 0.04 -1.26 -4.63 135.00 130.63 3k6l s PRO 75 Ca 0.12 2.11 0.05 0.00 0.04 0.00 0.00 61.00 63.32 3k6l s PRO 75 Cb -0.04 -2.83 -0.01 0.00 0.04 0.00 0.00 34.50 31.66 3k6l s PRO 75 CO 0.84 -0.37 -0.22 -2.00 0.04 0.00 0.00 177.00 175.29 3k6l s GLU 76 N -2.12 2.41 -0.30 4.56 2.12 -1.10 -4.95 118.70 119.32 3k6l s GLU 76 Ca 0.55 -0.80 -0.27 0.00 0.36 0.00 0.00 54.97 54.80 3k6l s GLU 76 Cb -0.37 -1.99 0.01 0.00 0.26 0.00 0.00 34.13 32.04 3k6l s GLU 76 CO 0.48 0.29 0.99 -1.17 -0.54 0.00 0.00 175.26 175.30 3k6l s LEU 77 N 0.04 4.01 -0.14 2.70 2.96 -1.26 -2.06 118.68 124.92 3k6l s LEU 77 Ca -0.07 1.00 -0.13 0.00 -0.22 0.00 0.00 54.13 54.70 3k6l s LEU 77 Cb -0.14 -3.41 -0.06 0.00 0.50 0.00 0.00 46.19 43.08 3k6l s LEU 77 CO 0.04 -0.76 -0.27 0.18 -1.32 0.00 0.00 176.35 174.22 3k6l n LEU 78 N 6.58 1.70 -4.34 -0.68 4.77 0.01 -5.02 117.00 120.01 3k6l n LEU 78 Ca 0.10 0.28 -0.28 0.00 -0.03 0.00 0.00 56.01 56.07 3k6l n LEU 78 Cb 0.47 -0.64 -0.14 0.00 -2.33 0.00 0.00 43.42 40.78 3k6l n LEU 78 CO 0.55 -0.19 -0.56 -1.61 -1.33 0.00 0.00 177.39 174.26 3k6l s GLU 79 N -2.63 1.54 -0.12 3.23 2.02 -1.10 -4.95 118.70 116.69 3k6l s GLU 79 Ca -0.24 -1.16 -0.05 0.00 0.02 0.00 0.00 54.97 53.54 3k6l s GLU 79 Cb 0.05 -1.81 0.06 0.00 0.10 0.00 0.00 34.13 32.53 3k6l s GLU 79 CO 0.34 0.45 0.25 -1.59 0.02 0.00 0.00 175.26 174.73 3k6l s LYS 80 N -1.54 0.13 -0.23 1.61 -2.85 -1.26 -3.02 119.74 112.58 3k6l s LYS 80 Ca 0.11 0.72 -0.26 0.00 -1.00 0.00 0.00 55.97 55.54 3k6l s LYS 80 Cb -0.10 -0.07 0.07 0.00 -2.06 0.00 0.00 37.83 35.67 3k6l s LYS 80 CO 0.03 -0.29 0.71 -1.54 0.10 0.00 0.00 175.35 174.36 3k6l s SER 81 N 2.40 -0.73 0.00 0.03 1.04 -1.16 -5.06 113.70 110.22 3k6l s SER 81 Ca 0.02 1.31 0.00 0.00 0.48 0.00 0.00 55.95 57.75 3k6l s SER 81 Cb -0.12 1.29 0.00 0.00 0.10 0.00 0.00 66.02 67.29 3k6l s SER 81 CO -0.08 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.44 3k6l n GLY 82 N 2.37 1.19 3.26 7.32 0.00 -1.26 -1.51 105.19 116.57 3k6l n GLY 82 Ca -0.15 -1.69 -0.34 0.00 0.00 0.00 0.00 46.02 43.84 3k6l n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k6l s GLU 83 N -3.74 3.24 0.35 1.61 8.01 -1.26 -2.45 118.70 124.47 3k6l s GLU 83 Ca 0.00 -0.72 -0.02 0.00 0.01 0.00 0.00 54.97 54.24 3k6l s GLU 83 Cb 0.00 -2.73 0.01 0.00 -4.31 0.00 0.00 34.13 27.10 3k6l s GLU 83 CO 0.00 -0.06 0.49 -2.37 0.01 0.00 0.00 175.26 173.33 3k6l n THR 84 N 4.32 0.00 0.00 3.63 5.66 -1.17 -4.74 114.28 121.97 3k6l n THR 84 Ca -0.19 -1.81 0.00 0.00 -3.05 0.00 0.00 64.05 59.00 3k6l n THR 84 Cb 0.51 1.11 0.00 0.00 -1.55 0.00 0.00 70.33 70.40 3k6l n THR 84 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3k6l n GLY 85 N -0.59 0.95 0.00 1.09 0.00 -1.26 -0.40 105.19 104.99 3k6l n GLY 85 Ca 0.01 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.34 3k6l n GLY 85 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3k6l n ILE 86 N 0.00 0.00 -3.02 -0.61 -5.35 -1.26 -4.49 119.36 104.62 3k6l n ILE 86 Ca 0.00 0.00 -0.40 0.00 -0.27 0.00 0.00 62.75 62.08 3k6l n ILE 86 Cb 0.00 -1.40 -0.05 0.00 -1.74 0.00 0.00 39.64 36.45 3k6l n ILE 86 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3k6l s GLU 87 N -2.27 4.47 0.10 6.28 2.02 -1.26 -2.99 118.70 125.05 3k6l s GLU 87 Ca 0.00 1.02 0.08 0.00 0.02 0.00 0.00 54.97 56.09 3k6l s GLU 87 Cb 0.00 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.84 3k6l s GLU 87 CO 0.00 0.32 -0.17 -1.21 0.02 0.00 0.00 175.26 174.23 3k6l s GLU 88 N -0.18 1.88 -0.23 1.61 2.02 -0.81 -4.91 118.70 118.09 3k6l s GLU 88 Ca 0.37 -1.12 -0.01 0.00 0.02 0.00 0.00 54.97 54.22 3k6l s GLU 88 Cb -0.20 -2.16 0.07 0.00 0.10 0.00 0.00 34.13 31.94 3k6l s GLU 88 CO 0.22 0.49 0.02 0.20 0.02 0.00 0.00 175.26 176.22 3k6l s GLY 89 N -2.04 0.94 0.43 -1.39 0.00 -1.26 -3.34 107.32 100.66 3k6l s GLY 89 Ca 0.18 -1.07 -0.17 0.00 0.00 0.00 0.00 44.72 43.66 3k6l s GLY 89 CO 0.10 1.32 0.89 0.00 0.00 0.00 0.00 173.10 175.41 3k6l h LEU 91 N 1.57 0.00 0.00 0.00 3.38 -1.96 -3.25 115.31 115.06 3k6l h LEU 91 Ca -0.48 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 3k6l h LEU 91 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 3k6l h LEU 91 CO 0.62 0.07 -1.20 -1.20 0.09 0.00 0.00 178.44 176.83 3k6l n SER 92 N -3.13 0.73 -4.10 -0.43 7.64 -1.26 -4.56 113.62 108.51 3k6l n SER 92 Ca 0.03 0.29 -0.37 0.00 1.01 0.00 0.00 58.87 59.83 3k6l n SER 92 Cb 0.50 0.62 -0.09 0.00 -1.01 0.00 0.00 64.21 64.23 3k6l n SER 92 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3k6l s ILE 93 N -3.32 3.78 -0.01 0.44 1.01 -1.22 -0.53 121.20 121.35 3k6l s ILE 93 Ca -0.02 -2.95 -0.32 0.00 0.00 0.00 0.00 60.65 57.36 3k6l s ILE 93 Cb 0.10 -3.46 -0.11 0.00 0.01 0.00 0.00 42.46 39.00 3k6l s ILE 93 CO 0.81 -0.88 1.89 -0.81 0.00 0.00 0.00 174.94 175.95 3k6l n PRO 94 N 3.50 2.47 -1.57 2.79 -0.04 -1.26 -3.27 135.00 137.62 3k6l n PRO 94 Ca 0.08 0.90 -0.19 0.00 -0.04 0.00 0.00 63.50 64.25 3k6l n PRO 94 Cb 0.38 -2.79 -0.08 0.00 -0.04 0.00 0.00 33.50 30.97 3k6l n PRO 94 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3k6l n GLU 95 N 6.66 -1.34 -4.29 0.54 1.02 -1.26 -4.98 120.64 116.99 3k6l n GLU 95 Ca 0.21 1.17 -0.33 0.00 -0.02 0.00 0.00 57.16 58.19 3k6l n GLU 95 Cb 0.34 -5.49 -0.09 0.00 -0.02 0.00 0.00 31.44 26.18 3k6l n GLU 95 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3k6l s GLN 96 N -3.65 2.84 0.07 3.49 -1.52 -1.20 -5.12 119.66 114.56 3k6l s GLN 96 Ca 0.00 -0.57 0.06 0.00 -1.95 0.00 0.00 55.36 52.90 3k6l s GLN 96 Cb 0.00 -2.70 -0.03 0.00 -0.22 0.00 0.00 33.01 30.06 3k6l s GLN 96 CO 0.00 0.64 -0.16 1.03 -0.25 0.00 0.00 175.29 176.55 3k6l s ARG 97 N -1.46 0.93 -0.08 2.91 1.81 -1.26 -4.25 118.95 117.55 3k6l s ARG 97 Ca 0.19 -0.95 -0.30 0.00 -1.72 0.00 0.00 55.73 52.95 3k6l s ARG 97 Cb -0.12 -1.00 0.11 0.00 -0.45 0.00 0.00 34.95 33.49 3k6l s ARG 97 CO 0.09 0.23 0.89 0.00 -0.68 0.00 0.00 175.30 175.84 3k6l s ALA 98 N -1.13 -1.86 -0.30 2.13 0.00 -1.21 -4.99 121.76 114.40 3k6l s ALA 98 Ca 0.01 1.31 -0.27 0.00 0.00 0.00 0.00 51.96 53.01 3k6l s ALA 98 Cb -0.09 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.88 3k6l s ALA 98 CO 0.02 -0.46 0.95 -1.17 0.00 0.00 0.00 175.76 175.10 3k6l s LEU 99 N -1.64 4.02 -0.23 0.00 0.20 -1.26 -1.92 118.68 117.85 3k6l s LEU 99 Ca -0.01 0.93 -0.01 0.00 0.69 0.00 0.00 54.13 55.73 3k6l s LEU 99 Cb -0.01 -3.35 0.02 0.00 -0.43 0.00 0.00 46.19 42.43 3k6l s LEU 99 CO -0.01 -0.74 -0.09 -0.69 -0.29 0.00 0.00 176.35 174.53 3k6l s VAL 100 N 3.31 2.78 -0.15 1.68 1.01 -1.16 -5.00 120.40 122.87 3k6l s VAL 100 Ca 0.40 -0.91 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 3k6l s VAL 100 Cb -0.13 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 3k6l s VAL 100 CO 0.13 0.31 1.98 -2.84 0.00 0.00 0.00 175.10 174.68 3k6l s PRO 101 N 1.34 3.60 0.00 2.72 0.02 -1.26 -4.33 135.00 137.09 3k6l s PRO 101 Ca 0.02 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.12 3k6l s PRO 101 Cb -0.15 -4.22 0.00 0.00 0.02 0.00 0.00 34.50 30.15 3k6l s PRO 101 CO -0.06 -1.55 0.00 0.54 -0.33 0.00 0.00 177.00 175.60 3k6l n ARG 102 N 8.11 2.49 -4.19 5.54 5.12 0.47 -4.98 116.66 129.22 3k6l n ARG 102 Ca 0.24 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.85 3k6l n ARG 102 Cb 0.44 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.65 3k6l n ARG 102 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3k6l s ALA 103 N -2.00 3.23 -0.06 7.54 0.00 -1.26 -3.04 121.76 126.18 3k6l s ALA 103 Ca 0.00 -1.10 -0.21 0.00 0.00 0.00 0.00 51.96 50.65 3k6l s ALA 103 Cb 0.00 -1.17 -0.16 0.00 0.00 0.00 0.00 23.12 21.79 3k6l s ALA 103 CO 0.00 0.68 0.84 1.49 0.00 0.00 0.00 175.76 178.77 3k6l h GLU 104 N 3.67 -0.19 -6.47 0.00 4.81 -1.44 -3.43 114.58 111.53 3k6l h GLU 104 Ca -0.48 0.01 -0.69 0.00 -0.13 0.00 0.00 59.36 58.08 3k6l h GLU 104 Cb 1.17 0.04 -0.22 0.00 0.63 0.00 0.00 28.75 30.37 3k6l h GLU 104 CO 0.58 0.25 -0.79 0.15 -0.73 0.00 0.00 179.01 178.47 3k6l s LYS 105 N -3.31 2.26 0.14 1.92 1.02 -0.57 -3.59 119.74 117.62 3k6l s LYS 105 Ca -0.12 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.00 3k6l s LYS 105 Cb 0.00 -2.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.99 3k6l s LYS 105 CO 0.47 0.57 0.03 0.14 -0.92 0.00 0.00 175.35 175.64 3k6l s VAL 106 N -0.87 0.33 -0.06 3.17 -7.23 -1.06 -3.00 120.40 111.69 3k6l s VAL 106 Ca 0.14 -1.93 -0.02 0.00 -1.81 0.00 0.00 61.98 58.36 3k6l s VAL 106 Cb -0.11 -2.02 0.04 0.00 0.56 0.00 0.00 36.38 34.86 3k6l s VAL 106 CO 0.04 -0.53 0.10 -0.75 -0.31 0.00 0.00 175.10 173.66 3k6l s LYS 107 N -3.99 -0.00 0.20 4.82 2.20 -1.17 -1.75 119.74 120.06 3k6l s LYS 107 Ca 0.22 0.40 0.08 0.00 -0.36 0.00 0.00 55.97 56.32 3k6l s LYS 107 Cb 0.07 -0.32 -0.05 0.00 -1.51 0.00 0.00 37.83 36.03 3k6l s LYS 107 CO 0.01 -0.26 -0.16 0.96 -0.36 0.00 0.00 175.35 175.55 3k6l s ILE 108 N 1.80 1.81 -0.38 5.43 -5.25 -1.03 -0.81 121.20 122.77 3k6l s ILE 108 Ca -0.01 -2.16 0.02 0.00 -0.99 0.00 0.00 60.65 57.51 3k6l s ILE 108 Cb -0.12 -2.01 0.11 0.00 2.95 0.00 0.00 42.46 43.39 3k6l s ILE 108 CO -0.04 -0.52 0.14 -0.60 -1.79 0.00 0.00 174.94 172.12 3k6l s ARG 109 N -3.44 1.26 0.45 0.37 3.52 -0.87 -2.88 118.95 117.36 3k6l s ARG 109 Ca 0.21 -1.75 0.05 0.00 -0.13 0.00 0.00 55.73 54.11 3k6l s ARG 109 Cb -0.02 -2.65 -0.05 0.00 -1.56 0.00 0.00 34.95 30.67 3k6l s ARG 109 CO 0.07 -1.03 0.07 0.00 -0.81 0.00 0.00 175.30 173.61 3k6l s ALA 110 N 0.84 3.61 0.02 6.12 0.00 -0.99 -2.71 121.76 128.65 3k6l s ALA 110 Ca 0.13 -1.68 0.02 0.00 0.00 0.00 0.00 51.96 50.44 3k6l s ALA 110 Cb -0.21 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 3k6l s ALA 110 CO -0.11 -0.13 0.01 -0.51 0.00 0.00 0.00 175.76 175.02 3k6l s LEU 111 N -3.84 3.52 0.00 0.00 1.43 -0.21 -1.20 118.68 118.38 3k6l s LEU 111 Ca 0.28 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 3k6l s LEU 111 Cb 0.06 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.19 3k6l s LEU 111 CO 0.15 0.25 0.00 -0.90 0.23 0.00 0.00 176.35 176.08 3k6l n ASP 112 N 1.17 0.00 -0.03 2.29 5.68 -0.71 -1.40 116.55 123.54 3k6l n ASP 112 Ca -0.13 -0.88 0.03 0.00 -0.50 0.00 0.00 54.79 53.30 3k6l n ASP 112 Cb 0.52 0.00 0.39 0.00 -1.14 0.00 0.00 41.12 40.89 3k6l n ASP 112 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3k6l h ARG 113 N 0.00 0.60 -0.00 0.11 2.43 -1.91 -1.68 114.38 113.93 3k6l h ARG 113 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3k6l h ARG 113 Cb 0.00 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 3k6l h ARG 113 CO 0.00 0.41 -0.05 -0.25 -1.51 0.00 0.00 179.97 178.57 3k6l n ASP 114 N -4.45 0.24 -0.56 -3.80 8.00 -1.26 -4.82 116.55 109.90 3k6l n ASP 114 Ca 0.04 -0.44 -0.02 0.00 0.71 0.00 0.00 54.79 55.07 3k6l n ASP 114 Cb 0.07 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 3k6l n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k6l n GLY 115 N 1.26 0.64 3.47 0.44 0.00 -0.63 -5.06 105.19 105.31 3k6l n GLY 115 Ca 0.15 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 3k6l n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k6l s LYS 116 N -4.74 3.67 0.32 1.61 1.02 -1.26 -4.83 119.74 115.53 3k6l s LYS 116 Ca 0.03 -0.49 -0.29 0.00 0.02 0.00 0.00 55.97 55.23 3k6l s LYS 116 Cb -0.01 -3.12 -0.11 0.00 -0.52 0.00 0.00 37.83 34.07 3k6l s LYS 116 CO 0.04 0.03 1.55 -2.30 -0.92 0.00 0.00 175.35 173.75 3k6l n PRO 117 N 4.21 2.68 -3.77 -1.68 -0.02 -1.26 -1.74 135.00 133.41 3k6l n PRO 117 Ca -0.17 0.95 -0.12 0.00 -2.02 0.00 0.00 63.50 62.14 3k6l n PRO 117 Cb 0.52 -2.71 -0.08 0.00 -0.02 0.00 0.00 33.50 31.22 3k6l n PRO 117 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3k6l s PHE 118 N -0.43 -0.08 0.10 6.00 -0.71 -0.34 -4.94 117.98 117.58 3k6l s PHE 118 Ca 0.60 -0.04 0.09 0.00 -1.04 0.00 0.00 56.93 56.54 3k6l s PHE 118 Cb -0.49 0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.36 3k6l s PHE 118 CO 0.54 -0.48 -0.22 -1.21 -1.34 0.00 0.00 175.22 172.51 3k6l s GLU 119 N -2.43 1.70 -0.18 1.99 2.02 -1.26 -2.35 118.70 118.18 3k6l s GLU 119 Ca -0.06 -1.20 -0.15 0.00 0.02 0.00 0.00 54.97 53.59 3k6l s GLU 119 Cb -0.01 -2.04 0.05 0.00 0.10 0.00 0.00 34.13 32.23 3k6l s GLU 119 CO -0.03 0.48 0.47 -1.17 0.02 0.00 0.00 175.26 175.04 3k6l s LEU 120 N -1.91 0.04 -0.02 1.80 2.96 -1.14 -5.02 118.68 115.39 3k6l s LEU 120 Ca 0.15 0.98 -0.14 0.00 -0.22 0.00 0.00 54.13 54.90 3k6l s LEU 120 Cb -0.10 1.61 -0.05 0.00 0.50 0.00 0.00 46.19 48.14 3k6l s LEU 120 CO 0.07 -0.18 0.38 -1.61 -1.32 0.00 0.00 176.35 173.69 3k6l s GLU 121 N 0.64 3.90 0.05 1.98 2.02 -1.26 -2.47 118.70 123.56 3k6l s GLU 121 Ca -0.03 0.35 0.09 0.00 0.02 0.00 0.00 54.97 55.40 3k6l s GLU 121 Cb -0.05 -3.24 -0.03 0.00 0.10 0.00 0.00 34.13 30.92 3k6l s GLU 121 CO -0.04 0.66 -0.25 0.00 0.02 0.00 0.00 175.26 175.64 3k6l s ALA 122 N -0.93 2.17 0.07 5.21 0.00 -0.71 -5.00 121.76 122.56 3k6l s ALA 122 Ca 0.23 -1.24 0.03 0.00 0.00 0.00 0.00 51.96 50.98 3k6l s ALA 122 Cb -0.16 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 3k6l s ALA 122 CO 0.12 0.51 -0.09 0.16 0.00 0.00 0.00 175.76 176.45 3k6l s ASP 123 N -1.24 1.18 1.63 0.00 1.47 -1.26 -2.56 116.67 115.89 3k6l s ASP 123 Ca 0.11 -0.68 0.00 0.00 1.18 0.00 0.00 52.55 53.16 3k6l s ASP 123 Cb -0.10 0.02 0.00 0.00 -0.34 0.00 0.00 42.92 42.50 3k6l s ASP 123 CO 0.02 -0.23 0.00 0.61 0.68 0.00 0.00 175.17 176.25 3k6l n GLY 124 N 1.02 3.59 0.15 2.12 0.00 -1.24 -3.02 105.19 107.82 3k6l n GLY 124 Ca -0.20 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 3k6l n GLY 124 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3k6l h LEU 125 N 0.00 0.56 -1.62 0.99 5.85 -1.98 -3.25 115.31 115.86 3k6l h LEU 125 Ca 0.00 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 3k6l h LEU 125 Cb 0.00 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 3k6l h LEU 125 CO 0.00 1.27 0.09 0.25 -0.34 0.00 0.00 178.44 179.72 3k6l h LEU 126 N 0.22 0.30 -0.77 2.25 5.85 -1.93 -1.43 115.31 119.80 3k6l h LEU 126 Ca -0.09 -0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.47 3k6l h LEU 126 Cb 1.64 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.58 3k6l h LEU 126 CO 0.17 0.29 -0.55 0.00 -0.34 0.00 0.00 178.44 178.01 3k6l h ALA 127 N 1.76 0.96 -0.25 1.25 0.00 -1.66 -2.89 119.26 118.43 3k6l h ALA 127 Ca 0.09 -0.51 -0.19 0.00 0.00 0.00 0.00 54.91 54.30 3k6l h ALA 127 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3k6l h ALA 127 CO -0.01 0.69 -0.59 0.82 0.00 0.00 0.00 179.25 180.16 3k6l h ILE 128 N 0.14 1.28 0.24 0.00 2.04 -1.32 -2.83 117.51 117.06 3k6l h ILE 128 Ca -0.00 -1.78 -0.01 0.00 1.00 0.00 0.00 64.86 64.07 3k6l h ILE 128 Cb 1.01 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 3k6l h ILE 128 CO 0.08 0.57 -0.12 0.00 0.00 0.00 0.00 178.15 178.69 3k6l h ILE 130 N -0.39 0.80 -0.46 0.00 2.04 -1.59 0.59 117.51 118.50 3k6l h ILE 130 Ca -0.03 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 65.76 3k6l h ILE 130 Cb 0.30 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3k6l h ILE 130 CO 0.05 0.05 0.26 1.56 0.00 0.00 0.00 178.15 180.07 3k6l h GLN 131 N 0.26 0.51 -0.45 2.37 4.20 -1.42 0.52 115.11 121.10 3k6l h GLN 131 Ca 0.21 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3k6l h GLN 131 Cb 0.24 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 3k6l h GLN 131 CO -0.25 0.34 0.28 1.25 -0.67 0.00 0.00 178.83 179.77 3k6l h HIS 132 N 0.53 0.58 -0.18 2.96 2.76 -0.57 -0.38 115.15 120.84 3k6l h HIS 132 Ca 0.18 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.24 3k6l h HIS 132 Cb 0.03 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.79 3k6l h HIS 132 CO -0.07 0.39 -0.42 0.93 -1.30 0.00 0.00 177.93 177.46 3k6l h GLU 133 N 0.60 0.42 -0.03 5.26 4.39 -0.63 -2.76 114.58 121.82 3k6l h GLU 133 Ca 0.16 -0.21 -0.15 0.00 0.34 0.00 0.00 59.36 59.50 3k6l h GLU 133 Cb -0.03 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3k6l h GLU 133 CO -0.03 0.77 -0.67 0.52 -1.16 0.00 0.00 179.01 178.44 3k6l h MET 134 N 0.35 0.16 -0.29 2.33 2.86 -0.72 -3.00 114.93 116.61 3k6l h MET 134 Ca 0.03 -0.12 0.06 0.00 -2.06 0.00 0.00 59.70 57.61 3k6l h MET 134 Cb 0.88 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.51 3k6l h MET 134 CO 0.07 0.77 -0.08 -0.44 1.06 0.00 0.00 176.91 178.29 3k6l h ASP 135 N 0.11 -0.30 -0.66 1.22 3.32 -0.84 -2.36 116.42 116.90 3k6l h ASP 135 Ca -0.01 0.09 0.10 0.00 0.02 0.00 0.00 57.03 57.23 3k6l h ASP 135 Cb 1.19 0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.89 3k6l h ASP 135 CO 0.10 -0.11 0.44 0.45 -1.72 0.00 0.00 179.24 178.40 3k6l h HIS 136 N -0.01 0.52 0.00 4.55 3.86 -1.26 0.60 115.15 123.40 3k6l h HIS 136 Ca 0.14 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.32 3k6l h HIS 136 Cb 0.23 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 3k6l h HIS 136 CO -0.29 0.24 -0.23 -0.07 0.86 0.00 0.00 177.93 178.44 3k6l h LEU 137 N 0.48 0.00 -3.48 2.43 3.38 -1.35 -2.39 115.31 114.39 3k6l h LEU 137 Ca 0.31 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.22 3k6l h LEU 137 Cb 0.56 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3k6l h LEU 137 CO -0.10 0.23 0.05 1.33 0.09 0.00 0.00 178.44 180.05 3k6l n VAL 138 N -3.54 2.62 -1.06 1.22 0.24 -0.65 -1.59 118.33 115.57 3k6l n VAL 138 Ca -0.01 -1.72 -0.02 0.00 -2.04 0.00 0.00 64.34 60.55 3k6l n VAL 138 Cb 0.38 -0.29 -0.01 0.00 -1.47 0.00 0.00 33.84 32.46 3k6l n VAL 138 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k6l n GLY 139 N -0.08 0.45 3.81 7.63 0.00 -0.90 -4.77 105.19 111.33 3k6l n GLY 139 Ca 0.28 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3k6l n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k6l s LYS 140 N -1.34 4.12 0.18 1.61 1.02 0.11 -4.55 119.74 120.88 3k6l s LYS 140 Ca 0.00 0.61 0.11 0.00 0.02 0.00 0.00 55.97 56.71 3k6l s LYS 140 Cb 0.00 -3.25 -0.04 0.00 -0.52 0.00 0.00 37.83 34.02 3k6l s LYS 140 CO 0.00 0.62 -0.21 -0.51 -0.92 0.00 0.00 175.35 174.32 3k6l s LEU 141 N -0.95 2.54 0.51 3.17 1.43 -1.26 -2.65 118.68 121.47 3k6l s LEU 141 Ca 0.27 -0.78 0.27 0.00 -1.03 0.00 0.00 54.13 52.86 3k6l s LEU 141 Cb -0.18 -1.29 1.38 0.00 0.03 0.00 0.00 46.19 46.12 3k6l s LEU 141 CO 0.17 0.13 1.92 2.19 0.23 0.00 0.00 176.35 180.99 3k6l h PHE 142 N 3.28 0.10 0.00 0.29 -5.15 -1.98 -0.90 116.94 112.58 3k6l h PHE 142 Ca -0.47 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.30 3k6l h PHE 142 Cb 1.20 -0.03 0.00 0.00 0.22 0.00 0.00 35.95 37.34 3k6l h PHE 142 CO 0.66 0.03 0.00 0.00 -2.00 0.00 0.00 178.31 177.00 3k6l h MET 143 N 0.08 0.00 0.00 6.09 -0.00 -1.98 -2.74 114.93 116.38 3k6l h MET 143 Ca 0.37 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 60.03 3k6l h MET 143 Cb 1.36 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.95 3k6l h MET 143 CO -0.03 0.00 -0.20 -0.44 -0.00 0.00 0.00 176.91 176.24 3k6l h ASP 144 N 0.00 0.00 1.76 -0.10 3.32 -1.58 -2.87 116.42 116.95 3k6l h ASP 144 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3k6l h ASP 144 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3k6l h ASP 144 CO 0.00 0.20 0.00 1.88 -1.72 0.00 0.00 179.24 179.60 3k6l h TYR 145 N 0.00 0.00 -4.16 4.55 -1.99 -1.67 -3.46 116.97 110.23 3k6l h TYR 145 Ca -0.00 0.00 -0.46 0.00 2.00 0.00 0.00 58.73 60.27 3k6l h TYR 145 Cb 0.53 0.00 0.11 0.00 2.00 0.00 0.00 36.73 39.37 3k6l h TYR 145 CO 0.00 0.00 0.35 -0.51 -0.00 0.00 0.00 178.16 178.00 3k6l s LEU 146 N -5.93 2.65 0.71 3.88 1.43 -1.08 -5.06 118.68 115.28 3k6l s LEU 146 Ca 0.07 0.54 -0.14 0.00 -1.03 0.00 0.00 54.13 53.57 3k6l s LEU 146 Cb 0.07 -2.98 0.03 0.00 0.03 0.00 0.00 46.19 43.33 3k6l s LEU 146 CO 0.63 -1.99 1.14 -0.94 0.23 0.00 0.00 176.35 175.43 3k6l s SER 147 N -4.63 4.64 0.31 2.29 1.04 -1.26 -4.85 113.70 111.24 3k6l s SER 147 Ca 0.64 2.09 0.05 0.00 0.48 0.00 0.00 55.95 59.21 3k6l s SER 147 Cb -0.09 -2.56 0.68 0.00 0.10 0.00 0.00 66.02 64.14 3k6l s SER 147 CO 0.48 -1.95 1.82 -0.65 0.98 0.00 0.00 173.24 173.93 3k6l h PRO 148 N -0.31 0.83 0.01 4.02 0.11 -1.96 -1.88 132.00 132.82 3k6l h PRO 148 Ca -0.46 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3k6l h PRO 148 Cb 1.26 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3k6l h PRO 148 CO 0.52 0.55 -0.00 -0.07 -0.21 0.00 0.00 178.00 178.78 3k6l h LEU 149 N 0.85 -0.01 -1.49 2.35 3.38 -2.00 -1.22 115.31 117.18 3k6l h LEU 149 Ca 0.51 -0.09 0.19 0.00 0.09 0.00 0.00 57.88 58.58 3k6l h LEU 149 Cb 0.68 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.37 3k6l h LEU 149 CO -0.29 0.09 0.59 0.11 0.09 0.00 0.00 178.44 179.03 3k6l h LYS 150 N -0.10 0.42 -0.03 1.13 1.57 -1.75 -1.88 116.57 115.93 3k6l h LYS 150 Ca -0.00 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 3k6l h LYS 150 Cb 0.10 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.32 3k6l h LYS 150 CO 0.00 0.28 -0.40 1.96 -0.57 0.00 0.00 179.45 180.72 3k6l h GLN 151 N 0.43 0.32 -0.46 3.15 4.20 -0.94 -2.55 115.11 119.26 3k6l h GLN 151 Ca 0.46 -0.31 0.04 0.00 0.06 0.00 0.00 58.65 58.90 3k6l h GLN 151 Cb 1.10 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.92 3k6l h GLN 151 CO -0.18 0.98 0.24 1.96 -0.67 0.00 0.00 178.83 181.16 3k6l h GLN 152 N -0.23 0.46 -0.41 1.46 1.08 -0.82 -1.89 115.11 114.77 3k6l h GLN 152 Ca -0.04 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 3k6l h GLN 152 Cb 1.10 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.40 3k6l h GLN 152 CO 0.08 0.31 0.26 0.00 -0.95 0.00 0.00 178.83 178.52 3k6l h ARG 153 N 0.48 0.54 -0.53 1.46 3.08 -1.43 -1.53 114.38 116.44 3k6l h ARG 153 Ca 0.20 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.24 3k6l h ARG 153 Cb 0.09 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 3k6l h ARG 153 CO -0.13 0.38 0.30 0.82 -1.07 0.00 0.00 179.97 180.27 3k6l h ILE 154 N 0.54 1.02 -0.48 2.04 2.04 -1.14 0.18 117.51 121.72 3k6l h ILE 154 Ca 0.15 -0.20 -0.10 0.00 1.00 0.00 0.00 64.86 65.71 3k6l h ILE 154 Cb -0.03 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 3k6l h ILE 154 CO -0.03 0.11 -0.09 0.03 0.00 0.00 0.00 178.15 178.17 3k6l h ARG 155 N 0.59 0.90 0.00 2.37 3.08 -1.22 -3.22 114.38 116.88 3k6l h ARG 155 Ca 0.22 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3k6l h ARG 155 Cb 0.07 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3k6l h ARG 155 CO -0.12 0.98 -0.50 1.04 -1.07 0.00 0.00 179.97 180.30 3k6l n GLN 156 N -4.25 0.08 -0.10 0.04 6.02 -0.59 -0.49 117.38 118.08 3k6l n GLN 156 Ca 0.00 0.02 -0.13 0.00 -0.01 0.00 0.00 57.00 56.89 3k6l n GLN 156 Cb 0.37 -1.55 -0.04 0.00 1.02 0.00 0.00 30.24 30.05 3k6l n GLN 156 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 3k6l h LYS 157 N 0.00 0.68 -0.04 -1.09 1.57 -0.70 -3.29 116.57 113.69 3k6l h LYS 157 Ca 0.00 -0.33 -0.03 0.00 -1.87 0.00 0.00 60.65 58.42 3k6l h LYS 157 Cb 0.56 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3k6l h LYS 157 CO 0.00 0.93 -0.08 0.28 -0.57 0.00 0.00 179.45 180.01 3k6l h VAL 158 N 0.42 1.43 -0.00 0.50 2.07 -1.54 -3.52 116.25 115.62 3k6l h VAL 158 Ca 0.06 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.18 3k6l h VAL 158 Cb 0.77 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 3k6l h VAL 158 CO 0.06 0.38 0.00 1.21 0.02 0.00 0.00 177.57 179.24