#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ks1 s TRP 5 N 0.00 2.51 0.00 1.57 1.48 -1.26 -4.87 118.94 118.36 3ks1 s TRP 5 Ca 0.00 1.57 0.00 0.00 -1.06 0.00 0.00 56.10 56.61 3ks1 s TRP 5 Cb 0.00 -3.19 0.00 0.00 -1.16 0.00 0.00 33.47 29.12 3ks1 s TRP 5 CO 0.00 -1.86 0.00 0.41 -4.06 0.00 0.00 176.95 171.44 3ks1 n GLY 6 N -0.51 2.28 0.20 3.67 0.00 -0.35 -5.03 105.19 105.45 3ks1 n GLY 6 Ca 0.11 -0.23 0.04 0.00 0.00 0.00 0.00 46.02 45.94 3ks1 n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ks1 n TYR 7 N 0.00 0.00 -1.99 1.61 4.01 -1.26 -3.77 117.16 115.76 3ks1 n TYR 7 Ca 0.00 -0.47 -0.29 0.00 -0.16 0.00 0.00 57.90 56.97 3ks1 n TYR 7 Cb 0.00 -0.08 0.17 0.00 -0.31 0.00 0.00 39.34 39.12 3ks1 n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3ks1 s GLY 8 N -1.64 1.77 0.36 2.72 0.00 -1.26 -4.71 107.32 104.56 3ks1 s GLY 8 Ca 0.13 -1.23 0.07 0.00 0.00 0.00 0.00 44.72 43.69 3ks1 s GLY 8 CO 0.01 -0.49 1.89 1.70 0.00 0.00 0.00 173.10 176.21 3ks1 h LYS 9 N -1.51 0.37 -0.01 2.90 3.64 -1.97 0.13 116.57 120.12 3ks1 h LYS 9 Ca -0.44 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 3ks1 h LYS 9 Cb 1.24 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3ks1 h LYS 9 CO 0.40 0.47 -0.56 0.72 -2.27 0.00 0.00 179.45 178.21 3ks1 n HIS 10 N -4.27 0.00 -1.28 1.91 8.25 -1.26 -4.46 115.22 114.11 3ks1 n HIS 10 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3ks1 n HIS 10 Cb 0.27 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.37 3ks1 n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3ks1 n ASN 11 N -0.26 0.00 -2.70 0.41 6.94 -1.17 -4.95 115.26 113.53 3ks1 n ASN 11 Ca 0.08 -1.26 -0.10 0.00 -0.02 0.00 0.00 54.58 53.29 3ks1 n ASN 11 Cb 0.45 -0.05 0.07 0.00 -2.36 0.00 0.00 39.78 37.89 3ks1 n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ks1 n GLY 12 N 0.00 -1.72 0.43 4.83 0.00 0.46 -1.21 105.19 107.98 3ks1 n GLY 12 Ca 0.00 -1.60 0.25 0.00 0.00 0.00 0.00 46.02 44.67 3ks1 n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ks1 h PRO 13 N 0.00 0.30 0.00 1.61 0.11 -1.84 0.87 132.00 133.05 3ks1 h PRO 13 Ca -0.14 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3ks1 h PRO 13 Cb 0.39 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.43 3ks1 h PRO 13 CO 0.09 0.20 0.00 0.39 -0.21 0.00 0.00 178.00 178.47 3ks1 n GLU 14 N -4.54 0.02 -0.01 1.05 -0.58 -1.26 -2.60 120.64 112.73 3ks1 n GLU 14 Ca 0.25 0.19 0.11 0.00 -0.42 0.00 0.00 57.16 57.29 3ks1 n GLU 14 Cb 0.94 -1.50 -0.15 0.00 -0.57 0.00 0.00 31.44 30.15 3ks1 n GLU 14 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3ks1 n HIS 15 N -1.48 0.02 0.12 -0.32 8.25 0.29 -4.63 115.22 117.46 3ks1 n HIS 15 Ca 0.05 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.61 3ks1 n HIS 15 Cb 0.20 -0.38 0.59 0.00 1.12 0.00 0.00 29.99 31.52 3ks1 n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3ks1 h TRP 16 N 0.00 0.16 0.00 4.41 6.55 -1.46 -2.15 115.95 123.45 3ks1 h TRP 16 Ca 0.00 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.84 3ks1 h TRP 16 Cb 0.87 -0.05 -0.00 0.00 -0.86 0.00 0.00 29.16 29.12 3ks1 h TRP 16 CO 0.00 0.09 -0.02 1.12 -1.05 0.00 0.00 178.44 178.58 3ks1 h HIS 17 N 0.16 0.00 -0.32 0.49 2.07 -1.79 0.82 115.15 116.58 3ks1 h HIS 17 Ca 0.11 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.57 3ks1 h HIS 17 Cb 0.25 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.22 3ks1 h HIS 17 CO -0.00 0.02 -0.05 0.87 -3.07 0.00 0.00 177.93 175.70 3ks1 h LYS 18 N 0.00 0.60 0.00 5.12 1.57 -1.74 -2.52 116.57 119.60 3ks1 h LYS 18 Ca -0.00 -0.22 -0.17 0.00 -1.87 0.00 0.00 60.65 58.40 3ks1 h LYS 18 Cb 0.07 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 3ks1 h LYS 18 CO 0.00 0.76 -1.06 -0.44 -0.57 0.00 0.00 179.45 178.14 3ks1 h ASP 19 N 0.38 0.00 -2.73 0.86 3.32 -1.64 -3.42 116.42 113.19 3ks1 h ASP 19 Ca 0.08 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.53 3ks1 h ASP 19 Cb 0.53 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.68 3ks1 h ASP 19 CO 0.03 0.68 -0.82 -0.36 -1.72 0.00 0.00 179.24 177.04 3ks1 s PHE 20 N -2.86 1.88 0.57 4.55 0.08 0.24 -4.99 117.98 117.46 3ks1 s PHE 20 Ca -0.00 -2.58 0.28 0.00 0.12 0.00 0.00 56.93 54.75 3ks1 s PHE 20 Cb 0.08 -1.54 1.52 0.00 -0.57 0.00 0.00 43.02 42.51 3ks1 s PHE 20 CO 0.79 -0.74 1.99 -1.35 -0.10 0.00 0.00 175.22 175.81 3ks1 h PRO 21 N 5.79 0.00 0.00 0.24 0.11 -1.69 -0.09 132.00 136.36 3ks1 h PRO 21 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3ks1 h PRO 21 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3ks1 h PRO 21 CO 0.48 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.78 3ks1 n ILE 22 N -3.91 1.65 0.11 4.15 3.06 -1.26 -2.11 119.36 121.04 3ks1 n ILE 22 Ca 0.06 0.48 0.19 0.00 -2.50 0.00 0.00 62.75 60.98 3ks1 n ILE 22 Cb 0.54 -1.43 0.76 0.00 0.54 0.00 0.00 39.64 40.04 3ks1 n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3ks1 h ALA 23 N 2.10 2.10 -0.62 1.51 0.00 -1.32 0.12 119.26 123.14 3ks1 h ALA 23 Ca 0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.67 3ks1 h ALA 23 Cb 0.06 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 17.74 3ks1 h ALA 23 CO 0.00 -0.51 0.21 1.63 0.00 0.00 0.00 179.25 180.58 3ks1 n LYS 24 N -3.93 2.95 -0.42 0.00 5.02 -0.90 -4.95 118.16 115.93 3ks1 n LYS 24 Ca 0.06 -3.06 -0.07 0.00 -2.02 0.00 0.00 58.31 53.21 3ks1 n LYS 24 Cb 0.50 -2.06 0.05 0.00 -0.02 0.00 0.00 35.03 33.50 3ks1 n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ks1 n GLY 25 N -0.59 -1.55 0.04 0.72 0.00 0.03 -5.00 105.19 98.83 3ks1 n GLY 25 Ca 0.39 -1.62 0.12 0.00 0.00 0.00 0.00 46.02 44.90 3ks1 n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ks1 n GLU 26 N -1.86 0.21 -2.89 1.61 -0.58 -1.26 -4.33 120.64 111.54 3ks1 n GLU 26 Ca 0.04 0.04 -0.14 0.00 -0.42 0.00 0.00 57.16 56.68 3ks1 n GLU 26 Cb 0.14 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.41 3ks1 n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 3ks1 n ARG 27 N -1.89 1.20 -3.09 3.49 1.85 -1.26 -4.51 116.66 112.43 3ks1 n ARG 27 Ca 0.03 -3.39 -0.32 0.00 -1.00 0.00 0.00 57.85 53.18 3ks1 n ARG 27 Cb 0.41 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.27 3ks1 n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3ks1 s GLN 28 N -2.85 3.93 0.19 2.89 -1.52 -1.26 -2.67 119.66 118.37 3ks1 s GLN 28 Ca 0.34 0.58 0.09 0.00 -1.95 0.00 0.00 55.36 54.42 3ks1 s GLN 28 Cb 0.41 -2.44 -0.04 0.00 -0.22 0.00 0.00 33.01 30.71 3ks1 s GLN 28 CO -0.02 0.12 -0.17 -1.12 -0.25 0.00 0.00 175.29 173.85 3ks1 s SER 29 N -2.50 2.78 1.02 5.90 0.01 -1.26 -4.65 113.70 114.99 3ks1 s SER 29 Ca 0.53 -0.94 -0.16 0.00 1.31 0.00 0.00 55.95 56.69 3ks1 s SER 29 Cb -0.10 -0.17 0.22 0.00 0.21 0.00 0.00 66.02 66.18 3ks1 s SER 29 CO 0.21 -0.07 1.28 -0.81 0.41 0.00 0.00 173.24 174.27 3ks1 n PRO 30 N -0.05 -1.39 -4.19 12.44 -0.04 -1.26 -4.55 135.00 135.96 3ks1 n PRO 30 Ca -0.10 -1.98 -0.12 0.00 -0.04 0.00 0.00 63.50 61.26 3ks1 n PRO 30 Cb 0.58 -1.35 -0.10 0.00 -0.04 0.00 0.00 33.50 32.59 3ks1 n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3ks1 s VAL 31 N -3.77 0.53 0.05 0.52 -7.23 -1.26 -0.45 120.40 108.79 3ks1 s VAL 31 Ca 0.73 -1.94 -0.30 0.00 -1.81 0.00 0.00 61.98 58.66 3ks1 s VAL 31 Cb -0.02 -1.96 -0.05 0.00 0.56 0.00 0.00 36.38 34.91 3ks1 s VAL 31 CO 0.52 -0.61 1.07 -0.62 -0.31 0.00 0.00 175.10 175.15 3ks1 s ASP 32 N -3.10 7.27 -0.47 4.85 2.15 -1.26 -3.02 116.67 123.09 3ks1 s ASP 32 Ca 0.20 1.84 -0.19 0.00 0.43 0.00 0.00 52.55 54.84 3ks1 s ASP 32 Cb 0.06 -2.58 0.04 0.00 -0.30 0.00 0.00 42.92 40.15 3ks1 s ASP 32 CO 0.00 -0.31 0.56 -0.63 -0.17 0.00 0.00 175.17 174.63 3ks1 s ILE 33 N 0.78 4.95 -0.61 4.11 1.01 0.55 -4.94 121.20 127.05 3ks1 s ILE 33 Ca 0.53 -0.41 -0.25 0.00 0.00 0.00 0.00 60.65 60.53 3ks1 s ILE 33 Cb -0.25 -4.20 0.04 0.00 0.01 0.00 0.00 42.46 38.06 3ks1 s ILE 33 CO 0.29 -0.66 1.05 -0.62 0.00 0.00 0.00 174.94 175.01 3ks1 s ASP 34 N 2.35 6.29 0.56 3.58 -1.08 -1.26 -0.76 116.67 126.34 3ks1 s ASP 34 Ca 0.15 -0.44 0.33 0.00 -0.52 0.00 0.00 52.55 52.07 3ks1 s ASP 34 Cb -0.18 -2.47 1.63 0.00 -1.46 0.00 0.00 42.92 40.43 3ks1 s ASP 34 CO 0.13 -1.43 2.10 0.71 0.52 0.00 0.00 175.17 177.20 3ks1 h THR 35 N 6.03 0.25 0.00 1.71 1.35 -1.94 -1.68 112.91 118.63 3ks1 h THR 35 Ca -0.27 -0.44 -0.10 0.00 -0.55 0.00 0.00 66.41 65.05 3ks1 h THR 35 Cb 1.07 1.34 -0.02 0.00 -1.73 0.00 0.00 68.15 68.81 3ks1 h THR 35 CO 1.16 0.06 -1.02 0.45 -0.25 0.00 0.00 175.52 175.92 3ks1 h HIS 36 N 0.00 0.00 -0.00 4.73 3.86 -2.03 -3.31 115.15 118.40 3ks1 h HIS 36 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3ks1 h HIS 36 Cb 0.34 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.81 3ks1 h HIS 36 CO 0.00 0.39 -0.70 2.41 0.86 0.00 0.00 177.93 180.89 3ks1 n THR 37 N -2.93 0.00 -2.29 2.45 -1.04 -0.82 -4.89 114.28 104.76 3ks1 n THR 37 Ca -0.04 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.05 61.51 3ks1 n THR 37 Cb 0.73 0.77 -0.03 0.00 -1.82 0.00 0.00 70.33 69.98 3ks1 n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ks1 s ALA 38 N -2.86 3.46 -0.22 2.41 0.00 -0.70 -4.82 121.76 119.04 3ks1 s ALA 38 Ca 0.12 1.07 -0.09 0.00 0.00 0.00 0.00 51.96 53.06 3ks1 s ALA 38 Cb 0.17 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 3ks1 s ALA 38 CO 0.74 -0.42 0.10 0.21 0.00 0.00 0.00 175.76 176.39 3ks1 s LYS 39 N -1.14 3.91 0.13 0.00 2.20 -0.81 -4.80 119.74 119.23 3ks1 s LYS 39 Ca 0.49 -0.36 -0.32 0.00 -0.36 0.00 0.00 55.97 55.43 3ks1 s LYS 39 Cb -0.35 -3.37 -0.11 0.00 -1.51 0.00 0.00 37.83 32.48 3ks1 s LYS 39 CO 0.44 0.05 1.82 0.98 -0.36 0.00 0.00 175.35 178.28 3ks1 n TYR 40 N 4.24 2.61 -3.90 4.03 9.36 -1.26 -0.52 117.16 131.71 3ks1 n TYR 40 Ca -0.16 -0.11 -0.34 0.00 3.32 0.00 0.00 57.90 60.62 3ks1 n TYR 40 Cb 0.52 -2.71 -0.13 0.00 -0.63 0.00 0.00 39.34 36.38 3ks1 n TYR 40 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3ks1 s ASP 41 N 2.54 4.98 0.56 2.98 -1.08 -0.12 -4.87 116.67 121.66 3ks1 s ASP 41 Ca 0.82 -1.96 0.37 0.00 -0.52 0.00 0.00 52.55 51.25 3ks1 s ASP 41 Cb -0.50 -1.72 1.80 0.00 -1.46 0.00 0.00 42.92 41.03 3ks1 s ASP 41 CO 0.37 -0.43 2.10 -0.65 0.52 0.00 0.00 175.17 177.09 3ks1 h PRO 42 N 7.86 0.00 0.00 4.34 0.11 -1.93 -1.72 132.00 140.66 3ks1 h PRO 42 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 3ks1 h PRO 42 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3ks1 h PRO 42 CO 0.60 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.26 3ks1 n SER 43 N -2.93 0.00 -4.71 -2.05 3.41 -1.26 -4.82 113.62 101.26 3ks1 n SER 43 Ca -0.01 0.44 -0.42 0.00 -0.26 0.00 0.00 58.87 58.62 3ks1 n SER 43 Cb 0.17 -0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 63.61 3ks1 n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ks1 s LEU 44 N -2.96 4.37 0.63 1.04 1.43 -0.65 -5.02 118.68 117.52 3ks1 s LEU 44 Ca 0.14 2.24 -0.11 0.00 -1.03 0.00 0.00 54.13 55.36 3ks1 s LEU 44 Cb 0.17 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.78 3ks1 s LEU 44 CO 0.47 -0.62 1.03 -0.54 0.23 0.00 0.00 176.35 176.92 3ks1 s LYS 45 N 1.22 3.49 0.66 1.70 3.01 -1.21 -4.96 119.74 123.64 3ks1 s LYS 45 Ca 0.63 0.81 -0.17 0.00 -1.01 0.00 0.00 55.97 56.23 3ks1 s LYS 45 Cb -0.35 -2.07 -0.00 0.00 -1.01 0.00 0.00 37.83 34.40 3ks1 s LYS 45 CO 0.30 -0.65 1.23 -2.14 0.51 0.00 0.00 175.35 174.59 3ks1 s PRO 46 N -5.07 2.56 0.30 -1.68 0.02 -1.26 -2.79 135.00 127.07 3ks1 s PRO 46 Ca 0.56 1.86 -0.29 0.00 0.02 0.00 0.00 61.00 63.15 3ks1 s PRO 46 Cb -0.12 -1.87 -0.10 0.00 0.02 0.00 0.00 34.50 32.43 3ks1 s PRO 46 CO 0.53 -1.53 1.18 -1.17 -0.33 0.00 0.00 177.00 175.67 3ks1 s LEU 47 N -4.54 4.50 -0.33 -5.54 2.96 -1.26 -1.63 118.68 112.84 3ks1 s LEU 47 Ca 0.78 2.42 -0.05 0.00 -0.22 0.00 0.00 54.13 57.06 3ks1 s LEU 47 Cb -0.32 -3.63 0.04 0.00 0.50 0.00 0.00 46.19 42.78 3ks1 s LEU 47 CO 0.39 -0.29 0.08 -0.55 -1.32 0.00 0.00 176.35 174.66 3ks1 s SER 48 N -0.71 5.20 -0.32 3.68 0.15 -0.04 -4.86 113.70 116.80 3ks1 s SER 48 Ca 0.46 -1.20 -0.05 0.00 0.70 0.00 0.00 55.95 55.85 3ks1 s SER 48 Cb -0.35 -1.83 0.03 0.00 -1.71 0.00 0.00 66.02 62.17 3ks1 s SER 48 CO 0.45 -0.32 0.07 -0.69 1.20 0.00 0.00 173.24 173.96 3ks1 s VAL 49 N 1.35 3.63 -0.55 4.45 1.01 -1.26 -1.36 120.40 127.67 3ks1 s VAL 49 Ca -0.02 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 60.91 3ks1 s VAL 49 Cb -0.20 -3.00 0.14 0.00 0.00 0.00 0.00 36.38 33.32 3ks1 s VAL 49 CO 0.02 -0.08 0.32 -0.44 0.00 0.00 0.00 175.10 174.92 3ks1 s SER 50 N 1.40 4.61 0.00 3.32 0.01 -0.21 -4.90 113.70 117.93 3ks1 s SER 50 Ca -0.01 -2.97 0.12 0.00 1.31 0.00 0.00 55.95 54.40 3ks1 s SER 50 Cb -0.19 -1.71 0.33 0.00 0.21 0.00 0.00 66.02 64.66 3ks1 s SER 50 CO 0.02 -0.27 1.26 -1.22 0.41 0.00 0.00 173.24 173.43 3ks1 n TYR 51 N 3.22 0.49 -0.04 2.43 4.01 -1.26 -1.59 117.16 124.42 3ks1 n TYR 51 Ca 0.06 -0.46 0.11 0.00 -0.16 0.00 0.00 57.90 57.45 3ks1 n TYR 51 Cb 0.34 -0.02 0.52 0.00 -0.31 0.00 0.00 39.34 39.87 3ks1 n TYR 51 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 3ks1 h ASP 52 N 2.33 0.32 -0.45 7.72 3.58 -1.91 -2.17 116.42 125.84 3ks1 h ASP 52 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3ks1 h ASP 52 Cb 0.75 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.73 3ks1 h ASP 52 CO 0.00 0.20 0.00 0.00 -2.88 0.00 0.00 179.24 176.56 3ks1 n GLN 53 N -4.47 3.35 -1.72 0.28 1.13 -1.22 -5.01 117.38 109.71 3ks1 n GLN 53 Ca 0.08 -2.68 -0.42 0.00 -1.94 0.00 0.00 57.00 52.03 3ks1 n GLN 53 Cb 0.33 -1.74 -0.01 0.00 0.11 0.00 0.00 30.24 28.92 3ks1 n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3ks1 n ALA 54 N 0.44 1.69 -3.92 -1.58 0.00 -0.82 -4.71 120.51 111.61 3ks1 n ALA 54 Ca 0.21 0.37 -0.31 0.00 0.00 0.00 0.00 53.44 53.71 3ks1 n ALA 54 Cb 0.79 -2.32 -0.15 0.00 0.00 0.00 0.00 19.45 17.77 3ks1 n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3ks1 s THR 55 N -0.78 1.75 0.47 0.00 2.01 -1.26 -4.91 115.64 112.92 3ks1 s THR 55 Ca 0.58 -1.94 -0.19 0.00 0.31 0.00 0.00 61.69 60.45 3ks1 s THR 55 Cb -0.55 -2.27 -0.09 0.00 0.01 0.00 0.00 72.50 69.59 3ks1 s THR 55 CO 0.59 -0.59 0.98 -0.94 -0.69 0.00 0.00 174.62 173.97 3ks1 s SER 56 N 1.18 6.68 0.00 3.53 1.04 -1.26 -0.69 113.70 124.18 3ks1 s SER 56 Ca 0.09 1.70 0.00 0.00 0.48 0.00 0.00 55.95 58.22 3ks1 s SER 56 Cb -0.18 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.40 3ks1 s SER 56 CO -0.14 -0.54 0.00 0.18 0.98 0.00 0.00 173.24 173.72 3ks1 n LEU 57 N -1.06 0.77 -3.61 2.42 4.77 0.75 -4.02 117.00 117.02 3ks1 n LEU 57 Ca 0.07 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.95 3ks1 n LEU 57 Cb 0.54 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 3ks1 n LEU 57 CO 0.41 0.12 0.20 -0.60 -1.33 0.00 0.00 177.39 176.19 3ks1 s ARG 58 N -2.00 1.12 -0.03 3.23 3.52 -1.18 -1.10 118.95 122.50 3ks1 s ARG 58 Ca 0.00 -0.69 0.05 0.00 -0.13 0.00 0.00 55.73 54.96 3ks1 s ARG 58 Cb 0.00 0.49 -0.01 0.00 -1.56 0.00 0.00 34.95 33.87 3ks1 s ARG 58 CO 0.00 -0.45 -0.19 -1.50 -0.81 0.00 0.00 175.30 172.35 3ks1 s ILE 59 N -3.80 1.55 -0.03 4.11 2.07 -0.23 -0.63 121.20 124.23 3ks1 s ILE 59 Ca 0.03 -0.80 0.01 0.00 -1.41 0.00 0.00 60.65 58.48 3ks1 s ILE 59 Cb 0.01 -1.31 0.02 0.00 0.13 0.00 0.00 42.46 41.31 3ks1 s ILE 59 CO -0.11 0.44 -0.03 -0.22 -1.91 0.00 0.00 174.94 173.11 3ks1 s LEU 60 N -0.17 1.36 -0.47 8.50 2.96 -0.37 -1.22 118.68 129.27 3ks1 s LEU 60 Ca 0.00 -0.08 -0.24 0.00 -0.22 0.00 0.00 54.13 53.60 3ks1 s LEU 60 Cb -0.10 -0.33 0.03 0.00 0.50 0.00 0.00 46.19 46.29 3ks1 s LEU 60 CO 0.01 -0.06 0.83 0.21 -1.32 0.00 0.00 176.35 176.03 3ks1 s ASN 61 N 0.81 6.42 0.00 3.68 3.84 -0.27 -0.50 114.94 128.93 3ks1 s ASN 61 Ca -0.10 -0.11 0.20 0.00 0.21 0.00 0.00 52.86 53.07 3ks1 s ASN 61 Cb -0.13 -2.40 0.54 0.00 -0.55 0.00 0.00 41.25 38.71 3ks1 s ASN 61 CO -0.01 -0.98 1.45 -0.46 -2.79 0.00 0.00 177.10 174.31 3ks1 n ASN 62 N 6.89 3.20 0.00 -4.21 0.23 -0.85 -0.10 115.26 120.43 3ks1 n ASN 62 Ca 0.03 -1.97 0.00 0.00 -0.53 0.00 0.00 54.58 52.11 3ks1 n ASN 62 Cb 0.48 -0.35 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 3ks1 n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ks1 n GLY 63 N 1.46 1.36 0.00 4.83 0.00 -1.26 -4.79 105.19 106.79 3ks1 n GLY 63 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3ks1 n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3ks1 n HIS 64 N -2.00 0.00 -3.26 1.61 -0.00 -1.26 -4.68 115.22 105.62 3ks1 n HIS 64 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.71 3ks1 n HIS 64 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 3ks1 n HIS 64 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3ks1 n ALA 65 N -0.86 -0.38 -2.60 1.59 0.00 -1.26 -4.88 120.51 112.11 3ks1 n ALA 65 Ca 0.00 -0.22 -0.33 0.00 0.00 0.00 0.00 53.44 52.89 3ks1 n ALA 65 Cb 0.00 0.16 -0.13 0.00 0.00 0.00 0.00 19.45 19.48 3ks1 n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3ks1 s PHE 66 N -6.96 2.74 -0.17 0.00 -0.71 -1.26 -2.01 117.98 109.61 3ks1 s PHE 66 Ca 0.03 -0.23 -0.04 0.00 -1.04 0.00 0.00 56.93 55.65 3ks1 s PHE 66 Cb -0.01 -1.68 -0.02 0.00 -1.21 0.00 0.00 43.02 40.10 3ks1 s PHE 66 CO 0.02 0.12 -0.04 -0.80 -1.34 0.00 0.00 175.22 173.18 3ks1 s ASN 67 N -0.53 4.68 -0.37 1.98 -0.87 0.35 -4.28 114.94 115.90 3ks1 s ASN 67 Ca 0.07 -0.19 -0.20 0.00 -1.57 0.00 0.00 52.86 50.97 3ks1 s ASN 67 Cb -0.12 -1.77 0.01 0.00 -0.02 0.00 0.00 41.25 39.35 3ks1 s ASN 67 CO 0.02 0.13 0.59 -0.69 -2.57 0.00 0.00 177.10 174.57 3ks1 s VAL 68 N 0.62 4.92 -0.04 1.60 1.01 -0.00 -1.23 120.40 127.27 3ks1 s VAL 68 Ca -0.03 0.40 -0.05 0.00 0.00 0.00 0.00 61.98 62.30 3ks1 s VAL 68 Cb -0.14 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 3ks1 s VAL 68 CO 0.02 -0.34 0.19 -1.61 0.00 0.00 0.00 175.10 173.36 3ks1 s GLU 69 N 2.62 3.47 0.19 2.72 2.02 0.20 -1.41 118.70 128.51 3ks1 s GLU 69 Ca 0.22 -0.20 0.09 0.00 0.02 0.00 0.00 54.97 55.10 3ks1 s GLU 69 Cb -0.15 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 30.91 3ks1 s GLU 69 CO 0.15 0.70 -0.12 -0.06 0.02 0.00 0.00 175.26 175.96 3ks1 s PHE 70 N -1.22 2.57 -0.41 1.61 0.40 0.06 -0.17 117.98 120.82 3ks1 s PHE 70 Ca 0.23 -0.25 -0.29 0.00 -0.60 0.00 0.00 56.93 56.03 3ks1 s PHE 70 Cb -0.13 -1.25 0.01 0.00 0.51 0.00 0.00 43.02 42.16 3ks1 s PHE 70 CO 0.13 0.52 1.43 0.34 0.70 0.00 0.00 175.22 178.34 3ks1 s ASP 71 N -2.86 6.32 -0.33 1.36 2.15 0.14 -4.85 116.67 118.60 3ks1 s ASP 71 Ca 0.25 0.86 0.07 0.00 0.43 0.00 0.00 52.55 54.16 3ks1 s ASP 71 Cb -0.08 -2.54 0.55 0.00 -0.30 0.00 0.00 42.92 40.54 3ks1 s ASP 71 CO 0.14 -1.44 1.58 -0.90 -0.17 0.00 0.00 175.17 174.38 3ks1 n ASP 72 N 8.87 2.79 -0.16 -0.34 5.75 -1.26 -4.58 116.55 127.62 3ks1 n ASP 72 Ca 0.17 -3.76 0.13 0.00 -0.01 0.00 0.00 54.79 51.32 3ks1 n ASP 72 Cb 0.48 -0.69 0.47 0.00 -1.03 0.00 0.00 41.12 40.35 3ks1 n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3ks1 n SER 73 N -1.13 0.72 -4.14 -1.12 3.41 -1.26 -4.86 113.62 105.24 3ks1 n SER 73 Ca 0.40 -0.66 -0.09 0.00 -0.26 0.00 0.00 58.87 58.26 3ks1 n SER 73 Cb 1.19 0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 65.08 3ks1 n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3ks1 s GLN 74 N -2.55 0.85 -0.95 4.33 -0.21 -1.26 -5.07 119.66 114.81 3ks1 s GLN 74 Ca 0.25 -1.38 -0.24 0.00 0.02 0.00 0.00 55.36 54.00 3ks1 s GLN 74 Cb 0.19 0.17 0.02 0.00 1.00 0.00 0.00 33.01 34.39 3ks1 s GLN 74 CO 0.52 -0.20 1.60 -0.51 -2.12 0.00 0.00 175.29 174.58 3ks1 s ASP 75 N -3.03 6.02 0.00 5.90 1.01 -1.26 -4.62 116.67 120.70 3ks1 s ASP 75 Ca 0.19 -1.08 0.00 0.00 0.71 0.00 0.00 52.55 52.37 3ks1 s ASP 75 Cb 0.07 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.44 3ks1 s ASP 75 CO -0.01 -1.93 0.00 0.29 0.21 0.00 0.00 175.17 173.72 3ks1 n LYS 76 N 8.93 2.19 -3.49 8.23 5.02 -1.26 -4.96 118.16 132.81 3ks1 n LYS 76 Ca 0.33 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.35 3ks1 n LYS 76 Cb 0.50 -0.87 -0.13 0.00 -0.02 0.00 0.00 35.03 34.51 3ks1 n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ks1 s ALA 77 N -1.59 0.45 0.06 7.82 0.00 -1.26 -3.03 121.76 124.21 3ks1 s ALA 77 Ca 0.00 -1.14 0.07 0.00 0.00 0.00 0.00 51.96 50.89 3ks1 s ALA 77 Cb 0.00 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.54 3ks1 s ALA 77 CO 0.00 -1.80 -0.20 0.14 0.00 0.00 0.00 175.76 173.90 3ks1 s VAL 78 N 1.85 1.63 -0.12 0.00 -7.23 -0.62 -0.23 120.40 115.68 3ks1 s VAL 78 Ca 0.12 -1.27 -0.01 0.00 -1.81 0.00 0.00 61.98 59.01 3ks1 s VAL 78 Cb -0.17 -1.44 -0.02 0.00 0.56 0.00 0.00 36.38 35.31 3ks1 s VAL 78 CO -0.25 0.12 -0.08 -0.22 -0.31 0.00 0.00 175.10 174.36 3ks1 s LEU 79 N -1.36 3.03 0.00 1.32 2.96 0.21 -1.04 118.68 123.79 3ks1 s LEU 79 Ca 0.07 -0.17 -0.05 0.00 -0.22 0.00 0.00 54.13 53.75 3ks1 s LEU 79 Cb -0.09 -1.69 0.02 0.00 0.50 0.00 0.00 46.19 44.93 3ks1 s LEU 79 CO 0.02 0.23 0.50 2.29 -1.32 0.00 0.00 176.35 178.07 3ks1 n LYS 80 N 3.13 0.73 0.00 1.98 2.85 -0.47 -1.35 118.16 125.03 3ks1 n LYS 80 Ca -0.18 -2.19 0.00 0.00 -1.05 0.00 0.00 58.31 54.90 3ks1 n LYS 80 Cb 0.53 2.30 0.00 0.00 -0.65 0.00 0.00 35.03 37.21 3ks1 n LYS 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3ks1 n GLY 81 N -0.47 -0.22 7.00 2.58 0.00 -1.26 -0.86 105.19 111.95 3ks1 n GLY 81 Ca -0.02 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.96 3ks1 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ks1 n GLY 82 N 0.00 3.40 0.18 -0.02 0.00 -0.65 -0.78 105.19 107.33 3ks1 n GLY 82 Ca 0.00 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.14 3ks1 n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ks1 n PRO 83 N 14.00 1.09 -3.29 1.61 -0.04 -1.26 -3.33 135.00 143.78 3ks1 n PRO 83 Ca 0.00 -0.37 -0.36 0.00 -0.04 0.00 0.00 63.50 62.73 3ks1 n PRO 83 Cb 0.00 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 31.91 3ks1 n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ks1 s LEU 84 N -2.16 4.38 -0.20 1.53 1.43 0.04 -5.06 118.68 118.63 3ks1 s LEU 84 Ca 0.39 1.18 -0.08 0.00 -1.03 0.00 0.00 54.13 54.59 3ks1 s LEU 84 Cb 0.21 -3.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 3ks1 s LEU 84 CO 0.39 0.12 0.07 -1.81 0.23 0.00 0.00 176.35 175.36 3ks1 s ASP 85 N -1.58 5.53 0.00 2.29 1.01 -1.26 -4.18 116.67 118.48 3ks1 s ASP 85 Ca 0.37 0.01 0.00 0.00 0.71 0.00 0.00 52.55 53.64 3ks1 s ASP 85 Cb -0.16 -1.96 0.00 0.00 1.01 0.00 0.00 42.92 41.81 3ks1 s ASP 85 CO 0.19 0.11 0.00 0.61 0.21 0.00 0.00 175.17 176.29 3ks1 n GLY 86 N 3.96 -0.46 3.03 0.21 0.00 -1.26 -4.94 105.19 105.73 3ks1 n GLY 86 Ca -0.16 -1.34 -0.23 0.00 0.00 0.00 0.00 46.02 44.29 3ks1 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ks1 s THR 87 N 0.00 1.03 -0.09 2.61 2.01 -1.26 -4.46 115.64 115.49 3ks1 s THR 87 Ca 0.00 -0.47 0.04 0.00 0.31 0.00 0.00 61.69 61.58 3ks1 s THR 87 Cb 0.00 -0.93 -0.00 0.00 0.01 0.00 0.00 72.50 71.58 3ks1 s THR 87 CO 0.00 0.32 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.71 3ks1 s TYR 88 N 0.37 2.45 -0.18 4.92 1.51 -0.45 -1.16 117.35 124.80 3ks1 s TYR 88 Ca -0.08 -0.95 -0.12 0.00 -1.01 0.00 0.00 57.07 54.92 3ks1 s TYR 88 Cb -0.12 -1.64 -0.05 0.00 -0.11 0.00 0.00 41.96 40.04 3ks1 s TYR 88 CO 0.02 -0.37 0.20 1.03 -1.11 0.00 0.00 175.55 175.32 3ks1 s ARG 89 N 0.26 4.21 0.13 -0.62 0.52 0.40 -0.62 118.95 123.23 3ks1 s ARG 89 Ca -0.16 -0.08 -0.31 0.00 -0.52 0.00 0.00 55.73 54.66 3ks1 s ARG 89 Cb -0.17 -3.42 -0.09 0.00 0.52 0.00 0.00 34.95 31.79 3ks1 s ARG 89 CO 0.08 0.28 1.58 -1.17 0.02 0.00 0.00 175.30 176.08 3ks1 s LEU 90 N 0.39 4.37 -0.12 2.53 2.96 0.68 -1.28 118.68 128.20 3ks1 s LEU 90 Ca 0.12 2.54 0.02 0.00 -0.22 0.00 0.00 54.13 56.58 3ks1 s LEU 90 Cb -0.12 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 42.90 3ks1 s LEU 90 CO 0.01 -0.83 -0.09 0.00 -1.32 0.00 0.00 176.35 174.12 3ks1 n ILE 91 N 4.23 0.71 -3.47 6.68 3.06 -0.12 -4.54 119.36 125.91 3ks1 n ILE 91 Ca 0.14 -0.29 -0.10 0.00 -2.50 0.00 0.00 62.75 60.00 3ks1 n ILE 91 Cb 0.40 -0.92 -0.02 0.00 0.54 0.00 0.00 39.64 39.64 3ks1 n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3ks1 s GLN 92 N -2.25 1.07 0.18 9.51 1.03 -1.21 -0.76 119.66 127.23 3ks1 s GLN 92 Ca -0.15 -0.40 0.07 0.00 0.04 0.00 0.00 55.36 54.92 3ks1 s GLN 92 Cb 0.04 0.49 -0.04 0.00 0.03 0.00 0.00 33.01 33.53 3ks1 s GLN 92 CO 0.30 -0.47 -0.14 -0.59 -2.54 0.00 0.00 175.29 171.85 3ks1 s PHE 93 N -3.45 1.65 0.34 9.60 -0.12 -0.50 -0.69 117.98 124.81 3ks1 s PHE 93 Ca 0.03 -0.57 -0.14 0.00 -0.05 0.00 0.00 56.93 56.20 3ks1 s PHE 93 Cb -0.01 -0.79 0.03 0.00 -0.63 0.00 0.00 43.02 41.62 3ks1 s PHE 93 CO -0.11 0.31 0.68 -3.38 -0.05 0.00 0.00 175.22 172.67 3ks1 s HIS 94 N -2.79 0.26 0.20 3.49 -3.43 -0.73 -0.82 115.29 111.47 3ks1 s HIS 94 Ca 0.19 -0.78 0.06 0.00 -0.80 0.00 0.00 55.06 53.74 3ks1 s HIS 94 Cb -0.02 0.58 -0.05 0.00 -1.43 0.00 0.00 32.58 31.66 3ks1 s HIS 94 CO 0.06 -1.36 -0.09 -0.06 -2.00 0.00 0.00 174.74 171.28 3ks1 s PHE 95 N -2.95 1.59 -0.02 0.38 0.40 -1.26 -0.58 117.98 115.54 3ks1 s PHE 95 Ca 0.18 -0.71 0.06 0.00 -0.60 0.00 0.00 56.93 55.86 3ks1 s PHE 95 Cb -0.04 -0.82 -0.01 0.00 0.51 0.00 0.00 43.02 42.66 3ks1 s PHE 95 CO 0.12 0.19 -0.21 -1.01 0.70 0.00 0.00 175.22 175.01 3ks1 s HIS 96 N -3.16 1.95 0.23 0.36 3.76 -0.10 -4.75 115.29 113.58 3ks1 s HIS 96 Ca 0.23 -0.41 -0.11 0.00 -0.15 0.00 0.00 55.06 54.62 3ks1 s HIS 96 Cb 0.02 -1.26 -0.01 0.00 1.11 0.00 0.00 32.58 32.44 3ks1 s HIS 96 CO 0.06 -0.06 0.41 1.67 -0.85 0.00 0.00 174.74 175.97 3ks1 s TRP 97 N -0.42 0.47 0.54 1.40 -2.14 -1.22 -0.94 118.94 116.62 3ks1 s TRP 97 Ca 0.06 -0.81 0.07 0.00 2.66 0.00 0.00 56.10 58.09 3ks1 s TRP 97 Cb -0.09 0.06 0.05 0.00 -3.10 0.00 0.00 33.47 30.39 3ks1 s TRP 97 CO -0.00 -0.91 0.57 0.20 -2.66 0.00 0.00 176.95 174.14 3ks1 s GLY 98 N -3.03 2.07 0.14 3.67 0.00 -1.17 -0.95 107.32 108.06 3ks1 s GLY 98 Ca 0.24 -1.69 0.26 0.00 0.00 0.00 0.00 44.72 43.52 3ks1 s GLY 98 CO 0.08 -1.80 1.62 -1.14 0.00 0.00 0.00 173.10 171.86 3ks1 n SER 99 N -1.94 0.66 -3.91 1.64 3.41 -1.26 -4.28 113.62 107.93 3ks1 n SER 99 Ca 0.06 0.36 -0.09 0.00 -0.26 0.00 0.00 58.87 58.94 3ks1 n SER 99 Cb 0.63 -0.38 -0.08 0.00 -0.26 0.00 0.00 64.21 64.12 3ks1 n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ks1 s LEU 100 N -4.14 1.66 0.53 1.04 1.43 -1.26 -5.05 118.68 112.89 3ks1 s LEU 100 Ca 0.10 -0.60 0.28 0.00 -1.03 0.00 0.00 54.13 52.88 3ks1 s LEU 100 Cb 0.14 0.78 1.47 0.00 0.03 0.00 0.00 46.19 48.61 3ks1 s LEU 100 CO 0.64 -0.61 2.07 0.44 0.23 0.00 0.00 176.35 179.12 3ks1 h ASP 101 N 3.23 0.00 0.00 2.29 3.32 -1.92 -2.79 116.42 120.56 3ks1 h ASP 101 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 3ks1 h ASP 101 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3ks1 h ASP 101 CO 0.54 0.11 0.00 0.61 -1.72 0.00 0.00 179.24 178.78 3ks1 n GLY 102 N -0.63 -0.64 3.53 2.75 0.00 -1.26 -3.47 105.19 105.47 3ks1 n GLY 102 Ca -0.02 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 3ks1 n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ks1 s GLN 103 N -2.00 1.40 0.00 1.61 -2.07 -1.05 -4.71 119.66 112.84 3ks1 s GLN 103 Ca 0.29 -0.98 0.00 0.00 -1.82 0.00 0.00 55.36 52.86 3ks1 s GLN 103 Cb 0.14 0.50 0.00 0.00 -1.09 0.00 0.00 33.01 32.55 3ks1 s GLN 103 CO 0.23 -0.59 0.00 0.41 -1.32 0.00 0.00 175.29 174.02 3ks1 n GLY 104 N -0.34 1.66 3.81 2.60 0.00 -1.02 -3.03 105.19 108.88 3ks1 n GLY 104 Ca -0.08 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 3ks1 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ks1 s SER 105 N 0.00 5.50 -0.16 1.61 1.04 -0.43 -3.42 113.70 117.83 3ks1 s SER 105 Ca 0.00 1.68 -0.13 0.00 0.48 0.00 0.00 55.95 57.98 3ks1 s SER 105 Cb 0.00 -2.51 -0.06 0.00 0.10 0.00 0.00 66.02 63.56 3ks1 s SER 105 CO 0.00 -1.36 -0.22 -0.62 0.98 0.00 0.00 173.24 172.02 3ks1 n GLU 106 N -2.78 0.49 -2.09 4.02 1.02 -1.26 -4.85 120.64 115.19 3ks1 n GLU 106 Ca 0.08 0.41 -0.36 0.00 -0.02 0.00 0.00 57.16 57.27 3ks1 n GLU 106 Cb 0.53 -1.60 0.02 0.00 -0.02 0.00 0.00 31.44 30.37 3ks1 n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3ks1 s HIS 107 N -2.48 2.49 0.23 -0.32 3.76 -1.26 -4.21 115.29 113.49 3ks1 s HIS 107 Ca -0.22 1.52 0.08 0.00 -0.15 0.00 0.00 55.06 56.30 3ks1 s HIS 107 Cb 0.04 -3.44 -0.05 0.00 1.11 0.00 0.00 32.58 30.24 3ks1 s HIS 107 CO 0.33 -2.03 -0.14 0.95 -0.85 0.00 0.00 174.74 173.00 3ks1 s THR 108 N -1.62 1.87 -0.24 1.30 -4.23 -1.17 -4.69 115.64 106.86 3ks1 s THR 108 Ca 0.75 -2.24 0.02 0.00 -1.18 0.00 0.00 61.69 59.04 3ks1 s THR 108 Cb -0.29 -2.14 0.06 0.00 1.34 0.00 0.00 72.50 71.46 3ks1 s THR 108 CO 0.32 -0.52 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.10 3ks1 s VAL 109 N -2.89 1.87 -1.51 2.29 1.01 -0.76 -0.33 120.40 120.08 3ks1 s VAL 109 Ca 0.25 -1.40 -0.09 0.00 0.00 0.00 0.00 61.98 60.74 3ks1 s VAL 109 Cb -0.01 -2.03 0.07 0.00 0.00 0.00 0.00 36.38 34.41 3ks1 s VAL 109 CO 0.09 -0.02 0.70 0.47 0.00 0.00 0.00 175.10 176.34 3ks1 n ASP 110 N 4.55 -2.38 0.00 3.32 8.00 0.06 -1.03 116.55 129.07 3ks1 n ASP 110 Ca -0.13 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.44 3ks1 n ASP 110 Cb 0.43 -3.31 0.00 0.00 -0.02 0.00 0.00 41.12 38.23 3ks1 n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3ks1 n LYS 111 N -4.45 0.00 -2.20 -1.24 4.76 -1.26 -4.99 118.16 108.78 3ks1 n LYS 111 Ca -0.11 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.91 3ks1 n LYS 111 Cb 0.59 -2.58 -0.03 0.00 -1.84 0.00 0.00 35.03 31.17 3ks1 n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3ks1 s LYS 112 N -0.12 4.30 -0.10 1.97 2.20 -0.19 -4.98 119.74 122.81 3ks1 s LYS 112 Ca 0.00 2.01 -0.16 0.00 -0.36 0.00 0.00 55.97 57.47 3ks1 s LYS 112 Cb 0.00 -3.46 -0.05 0.00 -1.51 0.00 0.00 37.83 32.82 3ks1 s LYS 112 CO 0.00 -0.52 0.40 0.15 -0.36 0.00 0.00 175.35 175.01 3ks1 s LYS 113 N 1.93 4.20 0.59 4.03 1.02 -1.26 -1.84 119.74 128.41 3ks1 s LYS 113 Ca 0.64 0.32 -0.03 0.00 0.02 0.00 0.00 55.97 56.93 3ks1 s LYS 113 Cb -0.34 -3.38 0.03 0.00 -0.52 0.00 0.00 37.83 33.63 3ks1 s LYS 113 CO 0.28 0.32 0.86 0.71 -0.92 0.00 0.00 175.35 176.60 3ks1 s TYR 114 N 0.15 2.99 0.37 3.18 2.02 -1.26 -4.65 117.35 120.15 3ks1 s TYR 114 Ca 0.22 0.27 0.15 0.00 -0.37 0.00 0.00 57.07 57.34 3ks1 s TYR 114 Cb -0.15 -2.84 0.84 0.00 -0.40 0.00 0.00 41.96 39.42 3ks1 s TYR 114 CO 0.09 -0.97 1.87 0.00 -1.57 0.00 0.00 175.55 174.96 3ks1 h ALA 115 N -0.14 1.38 -2.70 3.71 0.00 -1.44 -1.07 119.26 119.00 3ks1 h ALA 115 Ca -0.44 -0.29 0.11 0.00 0.00 0.00 0.00 54.91 54.29 3ks1 h ALA 115 Cb 1.29 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 3ks1 h ALA 115 CO 0.57 0.40 0.37 0.00 0.00 0.00 0.00 179.25 180.58 3ks1 s ALA 116 N -4.19 -1.36 -0.09 0.00 0.00 -1.11 -3.02 121.76 111.98 3ks1 s ALA 116 Ca -0.03 -0.20 -0.05 0.00 0.00 0.00 0.00 51.96 51.68 3ks1 s ALA 116 Cb 0.14 0.74 0.04 0.00 0.00 0.00 0.00 23.12 24.04 3ks1 s ALA 116 CO 0.70 -1.04 0.22 -2.00 0.00 0.00 0.00 175.76 173.64 3ks1 s GLU 117 N -3.31 0.18 -0.13 0.00 2.12 -0.12 -1.08 118.70 116.36 3ks1 s GLU 117 Ca 0.13 0.48 -0.12 0.00 0.36 0.00 0.00 54.97 55.82 3ks1 s GLU 117 Cb -0.04 -0.13 -0.05 0.00 0.26 0.00 0.00 34.13 34.18 3ks1 s GLU 117 CO 0.06 -0.16 0.26 -1.17 -0.54 0.00 0.00 175.26 173.71 3ks1 s LEU 118 N 1.19 4.30 -0.22 2.70 2.96 0.44 -0.93 118.68 129.12 3ks1 s LEU 118 Ca -0.09 0.53 0.01 0.00 -0.22 0.00 0.00 54.13 54.37 3ks1 s LEU 118 Cb -0.10 -2.31 0.04 0.00 0.50 0.00 0.00 46.19 44.32 3ks1 s LEU 118 CO -0.08 0.21 -0.14 -1.00 -1.32 0.00 0.00 176.35 174.02 3ks1 s HIS 119 N -0.08 3.03 -0.37 5.38 3.76 0.25 -0.93 115.29 126.33 3ks1 s HIS 119 Ca 0.16 -1.92 -0.15 0.00 -0.15 0.00 0.00 55.06 53.00 3ks1 s HIS 119 Cb -0.13 -1.94 -0.00 0.00 1.11 0.00 0.00 32.58 31.61 3ks1 s HIS 119 CO 0.05 -0.83 0.34 -0.51 -0.85 0.00 0.00 174.74 172.94 3ks1 s LEU 120 N 1.22 4.64 -0.23 0.89 1.43 -0.21 -1.77 118.68 124.65 3ks1 s LEU 120 Ca -0.02 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.52 3ks1 s LEU 120 Cb -0.16 -2.28 -0.05 0.00 0.03 0.00 0.00 46.19 43.72 3ks1 s LEU 120 CO -0.08 -0.38 0.16 -0.69 0.23 0.00 0.00 176.35 175.58 3ks1 s VAL 121 N 1.93 5.37 0.02 -1.59 1.01 0.14 -1.16 120.40 126.12 3ks1 s VAL 121 Ca 0.10 0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.33 3ks1 s VAL 121 Cb -0.17 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 3ks1 s VAL 121 CO 0.12 0.37 -0.15 -1.00 0.00 0.00 0.00 175.10 174.44 3ks1 s HIS 122 N 0.85 1.30 0.07 5.22 3.76 -0.33 -0.94 115.29 125.22 3ks1 s HIS 122 Ca 0.08 -0.31 0.07 0.00 -0.15 0.00 0.00 55.06 54.75 3ks1 s HIS 122 Cb -0.13 -0.80 -0.04 0.00 1.11 0.00 0.00 32.58 32.73 3ks1 s HIS 122 CO 0.03 0.02 -0.14 1.67 -0.85 0.00 0.00 174.74 175.46 3ks1 s TRP 123 N -0.62 2.65 -0.16 1.40 1.48 -0.41 -0.62 118.94 122.67 3ks1 s TRP 123 Ca 0.04 -0.20 -0.29 0.00 -1.06 0.00 0.00 56.10 54.58 3ks1 s TRP 123 Cb -0.07 -1.45 -0.03 0.00 -1.16 0.00 0.00 33.47 30.76 3ks1 s TRP 123 CO 0.01 0.34 1.48 1.21 -4.06 0.00 0.00 176.95 175.93 3ks1 s ASN 124 N -1.78 6.68 0.46 -2.66 3.84 0.68 -0.45 114.94 121.71 3ks1 s ASN 124 Ca 0.17 1.79 0.31 0.00 0.21 0.00 0.00 52.86 55.35 3ks1 s ASN 124 Cb -0.11 -2.54 1.54 0.00 -0.55 0.00 0.00 41.25 39.60 3ks1 s ASN 124 CO 0.09 -0.97 1.95 0.71 -2.79 0.00 0.00 177.10 176.09 3ks1 h THR 125 N 5.73 0.00 0.00 -5.21 1.35 -1.48 -1.21 112.91 112.09 3ks1 h THR 125 Ca -0.32 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3ks1 h THR 125 Cb 1.14 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 3ks1 h THR 125 CO 0.98 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 178.54 3ks1 n LYS 127 N -2.68 0.14 -0.12 4.72 2.85 -1.26 -2.21 118.16 119.60 3ks1 n LYS 127 Ca -0.01 0.44 0.10 0.00 -1.05 0.00 0.00 58.31 57.80 3ks1 n LYS 127 Cb 0.15 -1.81 0.16 0.00 -0.65 0.00 0.00 35.03 32.88 3ks1 n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3ks1 n TYR 128 N -2.08 0.33 0.00 5.58 4.01 -0.46 -5.00 117.16 119.54 3ks1 n TYR 128 Ca 0.01 -0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 3ks1 n TYR 128 Cb 0.17 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 3ks1 n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ks1 n GLY 129 N 1.20 1.36 3.78 2.72 0.00 -0.94 -4.46 105.19 108.86 3ks1 n GLY 129 Ca 0.15 -0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 3ks1 n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ks1 s ASP 130 N 0.00 -0.15 0.19 1.61 1.47 -1.26 -5.05 116.67 113.48 3ks1 s ASP 130 Ca 0.00 -0.78 -0.11 0.00 1.18 0.00 0.00 52.55 52.84 3ks1 s ASP 130 Cb 0.00 0.71 0.12 0.00 -0.34 0.00 0.00 42.92 43.41 3ks1 s ASP 130 CO 0.00 -1.34 1.82 0.15 0.68 0.00 0.00 175.17 176.48 3ks1 h PHE 131 N 2.06 0.90 -0.87 2.11 3.57 -1.94 -1.02 116.94 121.76 3ks1 h PHE 131 Ca -0.23 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.26 3ks1 h PHE 131 Cb 1.25 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.65 3ks1 h PHE 131 CO 0.57 0.62 0.51 0.78 -2.23 0.00 0.00 178.31 178.56 3ks1 h GLY 132 N 0.92 1.26 1.40 2.40 0.00 -1.97 -1.52 103.07 105.57 3ks1 h GLY 132 Ca 0.24 -0.54 -0.24 0.00 0.00 0.00 0.00 47.33 46.79 3ks1 h GLY 132 CO -0.04 0.52 -0.97 0.50 0.00 0.00 0.00 176.54 176.55 3ks1 h LYS 133 N 1.20 0.54 -0.92 4.80 1.79 -1.78 -3.32 116.57 118.87 3ks1 h LYS 133 Ca 0.31 -0.57 -0.00 0.00 -2.18 0.00 0.00 60.65 58.21 3ks1 h LYS 133 Cb -0.03 0.16 -0.05 0.00 -1.58 0.00 0.00 32.23 30.74 3ks1 h LYS 133 CO -0.06 1.19 0.58 0.00 -1.08 0.00 0.00 179.45 180.08 3ks1 h ALA 134 N 0.61 1.28 0.00 3.86 0.00 -0.58 -2.02 119.26 122.40 3ks1 h ALA 134 Ca -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3ks1 h ALA 134 Cb 1.61 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3ks1 h ALA 134 CO 0.18 0.64 0.00 1.33 0.00 0.00 0.00 179.25 181.39 3ks1 n VAL 135 N -4.37 1.15 1.21 0.00 0.24 -0.63 -1.30 118.33 114.63 3ks1 n VAL 135 Ca 0.10 0.35 0.11 0.00 -2.04 0.00 0.00 64.34 62.86 3ks1 n VAL 135 Cb 0.04 -1.23 0.38 0.00 -1.47 0.00 0.00 33.84 31.56 3ks1 n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ks1 n GLN 136 N -1.80 1.75 -4.45 7.34 6.02 -0.76 -4.67 117.38 120.82 3ks1 n GLN 136 Ca 0.02 -1.13 -0.30 0.00 -0.01 0.00 0.00 57.00 55.58 3ks1 n GLN 136 Cb 0.14 -1.40 -0.12 0.00 1.02 0.00 0.00 30.24 29.87 3ks1 n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3ks1 s GLN 137 N -1.79 1.79 0.55 -1.09 -1.52 -0.42 -5.03 119.66 112.14 3ks1 s GLN 137 Ca 0.33 -1.16 0.32 0.00 -1.95 0.00 0.00 55.36 52.90 3ks1 s GLN 137 Cb 0.18 -2.08 1.51 0.00 -0.22 0.00 0.00 33.01 32.39 3ks1 s GLN 137 CO 0.27 0.49 2.05 -1.35 -0.25 0.00 0.00 175.29 176.50 3ks1 h PRO 138 N 4.03 0.00 -0.42 2.91 0.11 -1.85 -2.52 132.00 134.26 3ks1 h PRO 138 Ca -0.49 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.31 3ks1 h PRO 138 Cb 1.16 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.02 3ks1 h PRO 138 CO 0.45 0.07 -0.69 -0.40 -0.21 0.00 0.00 178.00 177.22 3ks1 n ASP 139 N -3.30 3.49 0.06 -2.05 5.75 -1.26 -4.17 116.55 115.07 3ks1 n ASP 139 Ca -0.01 -3.77 -0.14 0.00 -0.01 0.00 0.00 54.79 50.87 3ks1 n ASP 139 Cb 0.27 -0.42 -0.04 0.00 -1.03 0.00 0.00 41.12 39.90 3ks1 n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3ks1 h GLY 140 N 1.68 0.51 -3.47 6.12 0.00 -1.16 -3.43 103.07 103.31 3ks1 h GLY 140 Ca 0.20 -0.85 -0.63 0.00 0.00 0.00 0.00 47.33 46.05 3ks1 h GLY 140 CO 0.43 0.75 -0.83 1.08 0.00 0.00 0.00 176.54 177.97 3ks1 s LEU 141 N -7.83 2.39 -0.12 3.11 1.43 0.49 -0.23 118.68 117.92 3ks1 s LEU 141 Ca -0.06 -0.82 0.01 0.00 -1.03 0.00 0.00 54.13 52.22 3ks1 s LEU 141 Cb 0.09 -1.10 0.02 0.00 0.03 0.00 0.00 46.19 45.23 3ks1 s LEU 141 CO 0.87 0.10 -0.12 0.00 0.23 0.00 0.00 176.35 177.43 3ks1 s ALA 142 N -1.54 1.60 -0.20 4.21 0.00 0.21 -0.83 121.76 125.20 3ks1 s ALA 142 Ca 0.17 -0.70 -0.03 0.00 0.00 0.00 0.00 51.96 51.40 3ks1 s ALA 142 Cb -0.08 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 3ks1 s ALA 142 CO 0.08 -0.24 -0.06 0.08 0.00 0.00 0.00 175.76 175.62 3ks1 s VAL 143 N 1.30 3.30 -0.33 0.00 1.01 -0.88 -1.18 120.40 123.62 3ks1 s VAL 143 Ca -0.01 -0.53 -0.21 0.00 0.00 0.00 0.00 61.98 61.23 3ks1 s VAL 143 Cb -0.14 -2.48 -0.00 0.00 0.00 0.00 0.00 36.38 33.76 3ks1 s VAL 143 CO -0.06 0.44 0.68 -0.22 0.00 0.00 0.00 175.10 175.95 3ks1 s LEU 144 N 1.27 4.17 -0.12 3.92 2.96 -0.31 -1.43 118.68 129.15 3ks1 s LEU 144 Ca 0.03 0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 54.27 3ks1 s LEU 144 Cb -0.14 -2.88 -0.03 0.00 0.50 0.00 0.00 46.19 43.63 3ks1 s LEU 144 CO -0.02 -0.58 0.02 -0.83 -1.32 0.00 0.00 176.35 173.61 3ks1 s GLY 145 N 1.72 1.86 -0.06 7.98 0.00 0.61 -1.05 107.32 118.38 3ks1 s GLY 145 Ca 0.27 -0.78 -0.00 0.00 0.00 0.00 0.00 44.72 44.21 3ks1 s GLY 145 CO 0.14 -0.32 -0.02 -0.42 0.00 0.00 0.00 173.10 172.48 3ks1 s ILE 146 N -0.37 0.44 0.41 0.90 1.01 -0.11 -0.94 121.20 122.54 3ks1 s ILE 146 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 60.65 60.50 3ks1 s ILE 146 Cb -0.12 -0.53 -0.09 0.00 0.01 0.00 0.00 42.46 41.73 3ks1 s ILE 146 CO 0.02 0.23 1.01 -0.36 0.00 0.00 0.00 174.94 175.84 3ks1 s PHE 147 N 1.40 3.29 -0.12 3.97 0.08 -1.26 -0.42 117.98 124.92 3ks1 s PHE 147 Ca -0.04 1.65 0.01 0.00 0.12 0.00 0.00 56.93 58.67 3ks1 s PHE 147 Cb -0.13 -3.02 -0.01 0.00 -0.57 0.00 0.00 43.02 39.28 3ks1 s PHE 147 CO -0.03 -0.42 -0.16 -0.51 -0.10 0.00 0.00 175.22 174.00 3ks1 s LEU 148 N -2.82 2.54 0.24 -0.37 1.02 -0.24 -0.86 118.68 118.20 3ks1 s LEU 148 Ca 0.59 -0.40 0.10 0.00 0.02 0.00 0.00 54.13 54.44 3ks1 s LEU 148 Cb -0.18 -1.56 -0.04 0.00 0.02 0.00 0.00 46.19 44.43 3ks1 s LEU 148 CO 0.22 0.16 -0.05 -1.59 0.02 0.00 0.00 176.35 175.12 3ks1 s LYS 149 N 0.38 2.18 -0.19 1.70 -2.85 -0.36 -2.03 119.74 118.57 3ks1 s LYS 149 Ca -0.13 -1.41 -0.18 0.00 -1.00 0.00 0.00 55.97 53.26 3ks1 s LYS 149 Cb -0.16 -2.13 -0.03 0.00 -2.06 0.00 0.00 37.83 33.44 3ks1 s LYS 149 CO 0.06 0.38 0.50 0.08 0.10 0.00 0.00 175.35 176.47 3ks1 s VAL 150 N -2.17 5.12 0.00 1.79 1.01 -1.26 -0.83 120.40 124.07 3ks1 s VAL 150 Ca 0.30 0.92 0.00 0.00 0.00 0.00 0.00 61.98 63.20 3ks1 s VAL 150 Cb -0.07 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.49 3ks1 s VAL 150 CO 0.18 0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.09 3ks1 n GLY 151 N 3.84 0.10 3.78 4.51 0.00 0.41 -4.91 105.19 112.93 3ks1 n GLY 151 Ca -0.05 0.53 -0.35 0.00 0.00 0.00 0.00 46.02 46.15 3ks1 n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ks1 s SER 152 N 2.00 5.77 0.63 1.61 1.04 -1.26 -4.03 113.70 119.45 3ks1 s SER 152 Ca 0.00 2.09 -0.18 0.00 0.48 0.00 0.00 55.95 58.35 3ks1 s SER 152 Cb 0.00 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.53 3ks1 s SER 152 CO 0.00 -1.18 1.19 0.00 0.98 0.00 0.00 173.24 174.23 3ks1 s ALA 153 N -1.91 2.45 -0.46 5.32 0.00 -1.26 -2.38 121.76 123.52 3ks1 s ALA 153 Ca 0.71 0.92 -0.15 0.00 0.00 0.00 0.00 51.96 53.43 3ks1 s ALA 153 Cb -0.22 -3.43 0.06 0.00 0.00 0.00 0.00 23.12 19.53 3ks1 s ALA 153 CO 0.28 -1.31 0.37 0.21 0.00 0.00 0.00 175.76 175.31 3ks1 s LYS 154 N -3.55 2.97 0.37 0.00 2.47 -1.17 -4.77 119.74 116.06 3ks1 s LYS 154 Ca 0.75 -1.27 0.05 0.00 -1.56 0.00 0.00 55.97 53.95 3ks1 s LYS 154 Cb -0.29 -4.09 0.74 0.00 -1.46 0.00 0.00 37.83 32.73 3ks1 s LYS 154 CO 0.36 -0.96 1.98 -1.35 0.16 0.00 0.00 175.35 175.55 3ks1 h PRO 155 N 8.72 0.73 0.00 4.03 0.11 -1.90 -1.32 132.00 142.37 3ks1 h PRO 155 Ca -0.28 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3ks1 h PRO 155 Cb 1.11 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3ks1 h PRO 155 CO 0.84 0.48 0.00 0.41 -0.21 0.00 0.00 178.00 179.52 3ks1 n GLY 156 N -1.45 -1.16 0.11 -0.55 0.00 -1.26 -2.04 105.19 98.84 3ks1 n GLY 156 Ca 0.09 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.18 3ks1 n GLY 156 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ks1 h LEU 157 N 0.00 0.00 -0.99 0.99 5.85 -1.45 -3.40 115.31 116.31 3ks1 h LEU 157 Ca 0.00 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 3ks1 h LEU 157 Cb 0.33 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 3ks1 h LEU 157 CO 0.00 0.05 0.38 -0.61 -0.34 0.00 0.00 178.44 177.92 3ks1 h GLN 158 N 0.00 1.10 -0.51 1.25 5.75 -1.45 -1.14 115.11 120.10 3ks1 h GLN 158 Ca 0.00 -0.15 0.04 0.00 -0.15 0.00 0.00 58.65 58.39 3ks1 h GLN 158 Cb 0.86 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 29.17 3ks1 h GLN 158 CO 0.00 0.84 0.34 0.87 -2.65 0.00 0.00 178.83 178.23 3ks1 h LYS 159 N 1.09 0.52 -0.02 1.69 1.57 -1.78 -0.36 116.57 119.28 3ks1 h LYS 159 Ca 0.27 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 3ks1 h LYS 159 Cb 0.10 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 3ks1 h LYS 159 CO -0.04 0.34 -0.01 0.28 -0.57 0.00 0.00 179.45 179.45 3ks1 h VAL 160 N 0.53 1.37 -0.91 0.50 2.07 -1.52 -3.19 116.25 115.10 3ks1 h VAL 160 Ca 0.21 -1.10 0.11 0.00 0.82 0.00 0.00 66.70 66.74 3ks1 h VAL 160 Cb 0.17 2.08 -0.08 0.00 -1.52 0.00 0.00 31.29 31.94 3ks1 h VAL 160 CO -0.06 0.29 0.54 0.58 0.02 0.00 0.00 177.57 178.94 3ks1 h VAL 161 N -0.42 0.90 0.00 2.57 2.07 -0.91 -2.35 116.25 118.11 3ks1 h VAL 161 Ca 0.00 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3ks1 h VAL 161 Cb 0.48 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 3ks1 h VAL 161 CO 0.00 0.16 0.00 0.44 0.02 0.00 0.00 177.57 178.19 3ks1 h ASP 162 N 0.87 0.00 0.38 0.57 3.32 -1.08 -2.83 116.42 117.65 3ks1 h ASP 162 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 3ks1 h ASP 162 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3ks1 h ASP 162 CO -0.27 0.00 -0.67 0.55 -1.72 0.00 0.00 179.24 177.14 3ks1 n VAL 163 N -2.67 0.02 0.25 -1.35 3.14 -0.89 -4.31 118.33 112.52 3ks1 n VAL 163 Ca 0.03 -0.03 0.08 0.00 -2.96 0.00 0.00 64.34 61.46 3ks1 n VAL 163 Cb 0.35 0.42 0.61 0.00 -1.06 0.00 0.00 33.84 34.17 3ks1 n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3ks1 h LEU 164 N 0.00 0.00 -2.51 6.55 3.38 -1.43 -1.41 115.31 119.89 3ks1 h LEU 164 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3ks1 h LEU 164 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3ks1 h LEU 164 CO 0.00 0.07 0.03 0.44 0.09 0.00 0.00 178.44 179.07 3ks1 h ASP 165 N 0.00 0.00 0.27 -0.43 3.32 -1.78 -1.74 116.42 116.05 3ks1 h ASP 165 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ks1 h ASP 165 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3ks1 h ASP 165 CO 0.01 0.00 -0.30 -1.54 -1.72 0.00 0.00 179.24 175.69 3ks1 n SER 166 N -3.71 0.97 -2.48 6.45 3.41 -0.53 -4.08 113.62 113.64 3ks1 n SER 166 Ca -0.02 -0.81 -0.14 0.00 -0.26 0.00 0.00 58.87 57.63 3ks1 n SER 166 Cb 0.11 0.16 0.03 0.00 -0.26 0.00 0.00 64.21 64.25 3ks1 n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3ks1 n ILE 167 N -0.76 1.82 -0.24 -1.33 -5.35 -0.66 -4.74 119.36 108.09 3ks1 n ILE 167 Ca 0.11 -3.74 -0.01 0.00 -0.27 0.00 0.00 62.75 58.84 3ks1 n ILE 167 Cb 0.35 -0.08 0.20 0.00 -1.74 0.00 0.00 39.64 38.38 3ks1 n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3ks1 h LYS 168 N 2.55 1.05 -6.23 6.28 3.64 -1.69 -3.42 116.57 118.74 3ks1 h LYS 168 Ca 0.11 -0.08 -0.59 0.00 -1.27 0.00 0.00 60.65 58.81 3ks1 h LYS 168 Cb 1.27 -0.23 -0.13 0.00 -0.41 0.00 0.00 32.23 32.74 3ks1 h LYS 168 CO 0.55 0.73 -0.72 0.95 -2.27 0.00 0.00 179.45 178.69 3ks1 s THR 169 N -5.82 2.86 0.12 1.00 -4.23 -1.26 -0.64 115.64 107.67 3ks1 s THR 169 Ca -0.11 -2.18 -0.35 0.00 -1.18 0.00 0.00 61.69 57.86 3ks1 s THR 169 Cb 0.17 -2.51 -0.16 0.00 1.34 0.00 0.00 72.50 71.35 3ks1 s THR 169 CO 0.79 -0.37 1.40 1.17 -0.54 0.00 0.00 174.62 177.08 3ks1 n LYS 170 N -0.66 1.50 0.00 3.99 4.81 -0.02 -1.92 118.16 125.86 3ks1 n LYS 170 Ca -0.06 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 3ks1 n LYS 170 Cb 0.59 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.43 3ks1 n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ks1 n GLY 171 N 2.73 1.72 3.75 3.14 0.00 0.86 -4.49 105.19 112.91 3ks1 n GLY 171 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3ks1 n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ks1 s LYS 172 N -0.80 4.78 0.19 1.61 1.02 -0.81 -4.88 119.74 120.84 3ks1 s LYS 172 Ca 0.00 1.54 0.02 0.00 0.02 0.00 0.00 55.97 57.55 3ks1 s LYS 172 Cb 0.00 -3.29 -0.05 0.00 -0.52 0.00 0.00 37.83 33.98 3ks1 s LYS 172 CO 0.00 0.39 0.02 -1.54 -0.92 0.00 0.00 175.35 173.30 3ks1 s SER 173 N -0.85 1.19 -0.01 2.83 1.04 -1.26 -1.11 113.70 115.53 3ks1 s SER 173 Ca 0.43 -1.21 -0.14 0.00 0.48 0.00 0.00 55.95 55.51 3ks1 s SER 173 Cb -0.27 0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.01 3ks1 s SER 173 CO 0.33 -0.60 0.30 0.00 0.98 0.00 0.00 173.24 174.25 3ks1 s ALA 174 N -3.68 -0.75 0.45 5.32 0.00 -0.36 -4.94 121.76 117.81 3ks1 s ALA 174 Ca 0.26 0.26 -0.25 0.00 0.00 0.00 0.00 51.96 52.24 3ks1 s ALA 174 Cb 0.06 0.10 -0.08 0.00 0.00 0.00 0.00 23.12 23.20 3ks1 s ALA 174 CO 0.06 -0.27 1.37 -0.25 0.00 0.00 0.00 175.76 176.66 3ks1 n ASP 175 N 1.21 3.00 -2.93 0.00 8.00 -1.26 -1.07 116.55 123.51 3ks1 n ASP 175 Ca -0.21 1.10 -0.10 0.00 0.71 0.00 0.00 54.79 56.29 3ks1 n ASP 175 Cb 0.56 -1.57 -0.02 0.00 -0.02 0.00 0.00 41.12 40.08 3ks1 n ASP 175 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3ks1 n PHE 176 N -0.29 -3.08 -3.97 1.24 7.35 -0.26 -4.69 117.46 113.75 3ks1 n PHE 176 Ca 0.06 -1.87 -0.21 0.00 -0.76 0.00 0.00 57.45 54.66 3ks1 n PHE 176 Cb 0.41 1.17 -0.02 0.00 0.35 0.00 0.00 39.48 41.39 3ks1 n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3ks1 s THR 177 N 0.65 5.24 -1.79 -2.13 -4.23 -1.26 -2.84 115.64 109.30 3ks1 s THR 177 Ca 0.31 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.84 3ks1 s THR 177 Cb 0.01 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 70.01 3ks1 s THR 177 CO -0.09 -0.32 0.00 0.59 -0.54 0.00 0.00 174.62 174.26 3ks1 n ASN 178 N -1.35 -5.08 -4.72 3.99 3.02 -1.26 -4.94 115.26 104.93 3ks1 n ASN 178 Ca -0.09 0.37 -0.41 0.00 -0.03 0.00 0.00 54.58 54.42 3ks1 n ASN 178 Cb 0.57 -4.11 -0.04 0.00 -0.61 0.00 0.00 39.78 35.59 3ks1 n ASN 178 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3ks1 s PHE 179 N -2.67 3.66 -0.44 3.10 5.36 -1.26 -4.99 117.98 120.74 3ks1 s PHE 179 Ca 0.00 1.57 -0.13 0.00 -0.96 0.00 0.00 56.93 57.42 3ks1 s PHE 179 Cb 0.00 -3.00 0.07 0.00 -0.34 0.00 0.00 43.02 39.74 3ks1 s PHE 179 CO 0.00 0.07 0.32 0.34 -1.46 0.00 0.00 175.22 174.49 3ks1 s ASP 180 N 0.73 5.93 0.00 6.13 -1.08 -1.26 -4.45 116.67 122.67 3ks1 s ASP 180 Ca 0.46 -1.33 0.13 0.00 -0.52 0.00 0.00 52.55 51.30 3ks1 s ASP 180 Cb -0.20 -2.10 0.57 0.00 -1.46 0.00 0.00 42.92 39.73 3ks1 s ASP 180 CO 0.25 -0.57 1.41 -0.81 0.52 0.00 0.00 175.17 175.97 3ks1 n PRO 181 N 5.08 0.02 0.29 4.34 -0.04 -1.26 -2.08 135.00 141.35 3ks1 n PRO 181 Ca -0.11 0.26 0.15 0.00 -0.04 0.00 0.00 63.50 63.76 3ks1 n PRO 181 Cb 0.44 -1.50 0.90 0.00 -0.04 0.00 0.00 33.50 33.30 3ks1 n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ks1 h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.38 114.38 114.70 3ks1 h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ks1 h ARG 182 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3ks1 h ARG 182 CO 0.00 0.03 0.00 0.41 -1.07 0.00 0.00 179.97 179.34 3ks1 n GLY 183 N -1.14 -0.71 0.59 0.04 0.00 -0.89 -2.82 105.19 100.26 3ks1 n GLY 183 Ca -0.03 -0.11 0.07 0.00 0.00 0.00 0.00 46.02 45.95 3ks1 n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ks1 n LEU 184 N -1.09 2.33 -4.85 0.99 4.77 -0.52 -4.13 117.00 114.51 3ks1 n LEU 184 Ca 0.13 -1.21 -0.36 0.00 -0.03 0.00 0.00 56.01 54.53 3ks1 n LEU 184 Cb 0.09 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 3ks1 n LEU 184 CO 0.12 0.47 0.08 -0.76 -1.33 0.00 0.00 177.39 175.98 3ks1 s LEU 185 N -1.10 4.42 0.99 2.23 1.43 -1.13 -4.91 118.68 120.62 3ks1 s LEU 185 Ca 0.18 0.87 -0.15 0.00 -1.03 0.00 0.00 54.13 54.00 3ks1 s LEU 185 Cb 0.12 -2.74 0.19 0.00 0.03 0.00 0.00 46.19 43.78 3ks1 s LEU 185 CO 0.17 0.26 1.18 -2.16 0.23 0.00 0.00 176.35 176.04 3ks1 s PRO 186 N -1.45 0.44 0.09 1.29 0.04 -1.26 -4.98 135.00 129.16 3ks1 s PRO 186 Ca 0.28 0.00 -0.21 0.00 0.04 0.00 0.00 61.00 61.11 3ks1 s PRO 186 Cb -0.15 -1.78 -0.11 0.00 0.04 0.00 0.00 34.50 32.49 3ks1 s PRO 186 CO 0.15 -2.61 1.65 0.93 0.04 0.00 0.00 177.00 177.16 3ks1 h GLU 187 N -1.79 0.19 -6.06 4.56 5.08 -1.92 -3.44 114.58 111.20 3ks1 h GLU 187 Ca -0.47 -0.03 -0.60 0.00 -1.00 0.00 0.00 59.36 57.26 3ks1 h GLU 187 Cb 1.30 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.46 3ks1 h GLU 187 CO 0.49 0.25 -0.17 0.45 -1.00 0.00 0.00 179.01 179.02 3ks1 s SER 188 N -5.46 6.85 -0.17 1.42 0.15 -1.26 -4.98 113.70 110.24 3ks1 s SER 188 Ca -0.14 1.01 0.16 0.00 0.70 0.00 0.00 55.95 57.69 3ks1 s SER 188 Cb 0.07 -2.27 0.75 0.00 -1.71 0.00 0.00 66.02 62.86 3ks1 s SER 188 CO 0.69 0.31 1.67 0.18 1.20 0.00 0.00 173.24 177.28 3ks1 n LEU 189 N 1.74 5.13 -4.73 3.45 4.77 -1.26 -4.71 117.00 121.39 3ks1 n LEU 189 Ca -0.13 -2.71 -0.42 0.00 -0.03 0.00 0.00 56.01 52.72 3ks1 n LEU 189 Cb 0.52 -0.62 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 3ks1 n LEU 189 CO 0.38 0.72 1.09 0.47 -1.33 0.00 0.00 177.39 178.72 3ks1 n ASP 190 N 0.76 3.37 -3.87 -1.43 8.00 -1.26 -4.73 116.55 117.38 3ks1 n ASP 190 Ca 0.26 1.18 -0.09 0.00 0.71 0.00 0.00 54.79 56.85 3ks1 n ASP 190 Cb 1.03 -1.54 -0.07 0.00 -0.02 0.00 0.00 41.12 40.52 3ks1 n ASP 190 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3ks1 s TYR 191 N -0.57 0.19 0.13 1.24 -0.85 -1.26 -1.39 117.35 114.84 3ks1 s TYR 191 Ca 0.60 -0.59 0.05 0.00 -0.52 0.00 0.00 57.07 56.60 3ks1 s TYR 191 Cb -0.54 -0.02 -0.04 0.00 0.38 0.00 0.00 41.96 41.74 3ks1 s TYR 191 CO 0.56 -0.62 0.10 -1.58 -1.52 0.00 0.00 175.55 172.50 3ks1 s TRP 192 N -3.89 3.14 -0.00 -3.49 0.51 0.10 -0.89 118.94 114.41 3ks1 s TRP 192 Ca 0.09 0.01 -0.05 0.00 -2.12 0.00 0.00 56.10 54.03 3ks1 s TRP 192 Cb 0.04 -1.54 -0.00 0.00 -0.81 0.00 0.00 33.47 31.16 3ks1 s TRP 192 CO -0.07 0.52 0.09 -0.08 -0.51 0.00 0.00 176.95 176.89 3ks1 s THR 193 N -1.61 0.07 -0.01 2.01 -1.32 0.31 -0.65 115.64 114.44 3ks1 s THR 193 Ca 0.30 -0.56 -0.28 0.00 -1.21 0.00 0.00 61.69 59.93 3ks1 s THR 193 Cb -0.11 -0.32 0.10 0.00 -1.51 0.00 0.00 72.50 70.66 3ks1 s THR 193 CO 0.22 -0.31 0.83 -0.72 -2.21 0.00 0.00 174.62 172.44 3ks1 s TYR 194 N -1.02 -0.42 -0.03 9.09 1.13 -1.02 -1.31 117.35 123.77 3ks1 s TYR 194 Ca -0.11 0.42 -0.25 0.00 -1.41 0.00 0.00 57.07 55.71 3ks1 s TYR 194 Cb -0.06 0.51 -0.04 0.00 -1.10 0.00 0.00 41.96 41.27 3ks1 s TYR 194 CO 0.01 -0.57 0.77 -1.25 -2.51 0.00 0.00 175.55 171.99 3ks1 s PRO 195 N -2.64 4.47 0.00 -3.49 0.04 -1.26 -1.29 135.00 130.83 3ks1 s PRO 195 Ca 0.01 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.07 3ks1 s PRO 195 Cb -0.01 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 31.10 3ks1 s PRO 195 CO -0.06 0.09 0.00 0.41 0.04 0.00 0.00 177.00 177.49 3ks1 n GLY 196 N 2.91 4.36 3.24 0.56 0.00 0.19 -4.82 105.19 111.63 3ks1 n GLY 196 Ca -0.00 -0.58 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 3ks1 n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ks1 s SER 197 N 1.61 0.66 0.48 1.61 1.04 -1.09 -2.32 113.70 115.69 3ks1 s SER 197 Ca 0.00 -1.35 -0.24 0.00 0.48 0.00 0.00 55.95 54.84 3ks1 s SER 197 Cb 0.00 0.26 -0.08 0.00 0.10 0.00 0.00 66.02 66.31 3ks1 s SER 197 CO 0.00 -0.76 1.30 0.18 0.98 0.00 0.00 173.24 174.93 3ks1 n LEU 198 N -0.33 4.64 -0.79 2.42 4.77 -0.30 -4.49 117.00 122.93 3ks1 n LEU 198 Ca -0.00 1.04 0.13 0.00 -0.03 0.00 0.00 56.01 57.15 3ks1 n LEU 198 Cb 0.66 -1.53 0.26 0.00 -2.33 0.00 0.00 43.42 40.48 3ks1 n LEU 198 CO 0.35 -0.66 0.72 0.35 -1.33 0.00 0.00 177.39 176.82 3ks1 n THR 199 N -0.61 0.02 -4.36 -5.08 -2.24 -1.26 -4.41 114.28 96.35 3ks1 n THR 199 Ca 0.08 -0.41 -0.26 0.00 -2.27 0.00 0.00 64.05 61.19 3ks1 n THR 199 Cb 0.42 1.10 -0.12 0.00 -2.10 0.00 0.00 70.33 69.63 3ks1 n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ks1 s THR 200 N -1.98 2.04 0.25 4.28 -4.23 -1.26 -4.71 115.64 110.03 3ks1 s THR 200 Ca 0.32 -1.79 -0.29 0.00 -1.18 0.00 0.00 61.69 58.75 3ks1 s THR 200 Cb 0.20 -1.87 -0.15 0.00 1.34 0.00 0.00 72.50 72.03 3ks1 s THR 200 CO 0.31 -0.08 0.96 -2.65 -0.54 0.00 0.00 174.62 172.62 3ks1 n PRO 201 N 0.68 1.09 0.00 3.99 -0.02 -1.26 -0.76 135.00 138.72 3ks1 n PRO 201 Ca -0.16 0.38 0.04 0.00 -2.02 0.00 0.00 63.50 61.74 3ks1 n PRO 201 Cb 0.55 -1.72 0.25 0.00 -0.02 0.00 0.00 33.50 32.56 3ks1 n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3ks1 n PRO 202 N 0.95 0.96 -2.13 0.52 -0.04 -1.26 -5.00 135.00 129.01 3ks1 n PRO 202 Ca 0.12 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.38 3ks1 n PRO 202 Cb 0.29 -1.14 -0.03 0.00 -0.04 0.00 0.00 33.50 32.58 3ks1 n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3ks1 n LEU 203 N -0.64 -1.78 -4.77 1.53 4.77 0.06 -4.90 117.00 111.27 3ks1 n LEU 203 Ca 0.06 0.15 -0.40 0.00 -0.03 0.00 0.00 56.01 55.79 3ks1 n LEU 203 Cb 0.03 -2.85 0.00 0.00 -2.33 0.00 0.00 43.42 38.28 3ks1 n LEU 203 CO 0.05 -0.48 1.01 -0.76 -1.33 0.00 0.00 177.39 175.87 3ks1 s LEU 204 N -5.44 4.18 -1.25 2.23 1.43 -1.26 -4.41 118.68 114.15 3ks1 s LEU 204 Ca 0.00 2.78 -0.09 0.00 -1.03 0.00 0.00 54.13 55.79 3ks1 s LEU 204 Cb 0.00 -3.91 0.19 0.00 0.03 0.00 0.00 46.19 42.50 3ks1 s LEU 204 CO 0.00 -0.98 1.82 -0.62 0.23 0.00 0.00 176.35 176.79 3ks1 n GLU 205 N 0.01 3.74 -0.05 1.70 1.02 -1.26 -1.15 120.64 124.65 3ks1 n GLU 205 Ca 0.04 -3.67 0.01 0.00 -0.02 0.00 0.00 57.16 53.52 3ks1 n GLU 205 Cb 0.43 -2.87 0.01 0.00 -0.02 0.00 0.00 31.44 28.99 3ks1 n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ks1 s VAL 207 N -0.68 3.36 -0.36 0.00 1.01 -0.98 -0.38 120.40 122.37 3ks1 s VAL 207 Ca 0.03 -0.54 -0.21 0.00 0.00 0.00 0.00 61.98 61.25 3ks1 s VAL 207 Cb 0.02 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.96 3ks1 s VAL 207 CO 0.00 0.50 0.69 -0.89 0.00 0.00 0.00 175.10 175.40 3ks1 s THR 208 N 0.49 4.83 -0.01 3.92 2.01 -0.01 -0.64 115.64 126.23 3ks1 s THR 208 Ca -0.07 0.68 -0.23 0.00 0.31 0.00 0.00 61.69 62.38 3ks1 s THR 208 Cb -0.15 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.18 3ks1 s THR 208 CO 0.04 -0.37 0.70 0.26 -0.69 0.00 0.00 174.62 174.57 3ks1 s TRP 209 N 2.85 3.67 -0.24 4.92 0.52 -0.41 -2.07 118.94 128.17 3ks1 s TRP 209 Ca 0.27 1.33 -0.00 0.00 0.02 0.00 0.00 56.10 57.72 3ks1 s TRP 209 Cb -0.14 -2.77 0.07 0.00 -1.15 0.00 0.00 33.47 29.48 3ks1 s TRP 209 CO 0.16 0.22 -0.01 0.42 0.02 0.00 0.00 176.95 177.76 3ks1 s ILE 210 N 0.23 1.29 -0.26 2.03 1.01 -0.51 -2.44 121.20 122.55 3ks1 s ILE 210 Ca 0.37 -1.16 -0.04 0.00 0.00 0.00 0.00 60.65 59.81 3ks1 s ILE 210 Cb -0.19 -1.67 0.01 0.00 0.01 0.00 0.00 42.46 40.62 3ks1 s ILE 210 CO 0.20 -0.22 -0.00 -0.69 0.00 0.00 0.00 174.94 174.23 3ks1 s VAL 211 N 1.49 3.39 0.29 2.92 1.01 0.18 -0.28 120.40 129.40 3ks1 s VAL 211 Ca -0.02 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 60.87 3ks1 s VAL 211 Cb -0.18 -2.70 -0.10 0.00 0.00 0.00 0.00 36.38 33.40 3ks1 s VAL 211 CO -0.09 0.20 1.28 -0.76 0.00 0.00 0.00 175.10 175.73 3ks1 s LEU 212 N 1.42 4.44 0.20 3.92 1.43 -0.12 -0.72 118.68 129.26 3ks1 s LEU 212 Ca 0.02 2.57 -0.03 0.00 -1.03 0.00 0.00 54.13 55.66 3ks1 s LEU 212 Cb -0.16 -3.64 0.15 0.00 0.03 0.00 0.00 46.19 42.57 3ks1 s LEU 212 CO -0.02 -0.48 1.55 0.50 0.23 0.00 0.00 176.35 178.13 3ks1 h LYS 213 N 3.92 0.61 -5.58 1.70 3.64 -1.56 -3.42 116.57 115.88 3ks1 h LYS 213 Ca -0.48 -0.33 -0.61 0.00 -1.27 0.00 0.00 60.65 57.96 3ks1 h LYS 213 Cb 1.22 0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 32.94 3ks1 h LYS 213 CO 0.69 0.93 0.23 -2.00 -2.27 0.00 0.00 179.45 177.03 3ks1 s GLU 214 N -4.19 4.00 0.72 1.90 2.12 -1.26 -5.01 118.70 116.98 3ks1 s GLU 214 Ca -0.08 0.49 -0.11 0.00 0.36 0.00 0.00 54.97 55.63 3ks1 s GLU 214 Cb 0.12 -3.70 0.03 0.00 0.26 0.00 0.00 34.13 30.84 3ks1 s GLU 214 CO 0.84 -0.54 1.07 -1.25 -0.54 0.00 0.00 175.26 174.84 3ks1 s PRO 215 N 2.67 2.69 0.18 4.30 0.04 -1.26 -4.64 135.00 138.97 3ks1 s PRO 215 Ca 0.28 1.02 -0.02 0.00 0.04 0.00 0.00 61.00 62.32 3ks1 s PRO 215 Cb -0.15 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 3ks1 s PRO 215 CO 0.11 -1.29 0.39 0.96 0.04 0.00 0.00 177.00 177.20 3ks1 s ILE 216 N -3.00 5.19 -0.09 0.56 -4.36 -0.04 -4.86 121.20 114.60 3ks1 s ILE 216 Ca 0.59 -0.20 -0.12 0.00 -0.26 0.00 0.00 60.65 60.66 3ks1 s ILE 216 Cb -0.15 -3.69 -0.05 0.00 1.25 0.00 0.00 42.46 39.82 3ks1 s ILE 216 CO 0.55 -0.09 0.29 -0.44 0.24 0.00 0.00 174.94 175.50 3ks1 s SER 217 N -2.87 6.56 0.18 4.36 0.01 -1.26 -1.23 113.70 119.46 3ks1 s SER 217 Ca 0.40 0.66 0.08 0.00 1.31 0.00 0.00 55.95 58.39 3ks1 s SER 217 Cb -0.11 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 63.89 3ks1 s SER 217 CO 0.27 0.26 -0.15 0.68 0.41 0.00 0.00 173.24 174.71 3ks1 s VAL 218 N -0.47 1.69 0.57 3.43 -7.23 -0.01 -3.04 120.40 115.33 3ks1 s VAL 218 Ca 0.19 -2.09 -0.07 0.00 -1.81 0.00 0.00 61.98 58.20 3ks1 s VAL 218 Cb -0.14 -1.93 -0.02 0.00 0.56 0.00 0.00 36.38 34.85 3ks1 s VAL 218 CO 0.07 -0.52 0.90 -0.94 -0.31 0.00 0.00 175.10 174.31 3ks1 s SER 219 N -3.07 5.98 0.27 4.85 1.04 -1.15 -0.44 113.70 121.18 3ks1 s SER 219 Ca 0.19 0.99 -0.02 0.00 0.48 0.00 0.00 55.95 57.60 3ks1 s SER 219 Cb -0.02 -2.11 0.43 0.00 0.10 0.00 0.00 66.02 64.42 3ks1 s SER 219 CO 0.06 -0.86 1.89 -1.28 0.98 0.00 0.00 173.24 174.03 3ks1 h SER 220 N -0.10 1.02 -0.44 7.02 0.87 -1.92 -1.88 113.55 118.11 3ks1 h SER 220 Ca -0.46 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.06 3ks1 h SER 220 Cb 1.22 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.95 3ks1 h SER 220 CO 0.62 0.65 0.09 -0.33 -0.53 0.00 0.00 176.83 177.33 3ks1 h GLU 221 N 1.16 0.79 -0.19 2.24 3.07 -1.95 -0.39 114.58 119.32 3ks1 h GLU 221 Ca 0.43 -0.18 -0.02 0.00 -0.50 0.00 0.00 59.36 59.09 3ks1 h GLU 221 Cb 0.17 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 3ks1 h GLU 221 CO -0.17 0.74 0.04 1.96 -1.40 0.00 0.00 179.01 180.18 3ks1 h GLN 222 N 0.76 0.31 -0.06 2.33 4.20 -1.74 -2.73 115.11 118.18 3ks1 h GLN 222 Ca 0.16 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.66 3ks1 h GLN 222 Cb 0.34 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3ks1 h GLN 222 CO 0.00 0.46 -0.55 -0.24 -0.67 0.00 0.00 178.83 177.84 3ks1 h VAL 223 N 0.11 1.37 -0.62 -0.54 3.04 -1.23 -2.35 116.25 116.03 3ks1 h VAL 223 Ca 0.06 -1.87 0.06 0.00 -1.01 0.00 0.00 66.70 63.95 3ks1 h VAL 223 Cb 0.30 1.94 -0.04 0.00 -2.01 0.00 0.00 31.29 31.48 3ks1 h VAL 223 CO 0.00 0.55 0.41 -0.07 -1.01 0.00 0.00 177.57 177.45 3ks1 h LEU 224 N 0.14 0.52 -0.75 3.16 3.38 -1.02 -1.14 115.31 119.60 3ks1 h LEU 224 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3ks1 h LEU 224 Cb 1.02 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3ks1 h LEU 224 CO 0.08 0.34 -0.35 0.11 0.09 0.00 0.00 178.44 178.71 3ks1 h LYS 225 N 0.59 0.55 -0.86 1.13 1.57 -1.10 -2.36 116.57 116.09 3ks1 h LYS 225 Ca 0.27 -0.26 0.09 0.00 -1.87 0.00 0.00 60.65 58.88 3ks1 h LYS 225 Cb 0.30 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.53 3ks1 h LYS 225 CO -0.08 0.83 0.51 0.74 -0.57 0.00 0.00 179.45 180.87 3ks1 h PHE 226 N 0.47 0.93 0.00 -1.35 -1.00 -1.08 -2.51 116.94 112.39 3ks1 h PHE 226 Ca 0.05 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.86 3ks1 h PHE 226 Cb 0.83 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 40.10 3ks1 h PHE 226 CO 0.03 0.40 0.00 0.54 -1.61 0.00 0.00 178.31 177.67 3ks1 n ARG 227 N -4.70 0.35 0.01 1.51 1.74 -0.85 -2.27 116.66 112.46 3ks1 n ARG 227 Ca 0.14 0.08 0.12 0.00 -0.77 0.00 0.00 57.85 57.42 3ks1 n ARG 227 Cb 0.26 -1.50 0.28 0.00 -1.02 0.00 0.00 32.46 30.48 3ks1 n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3ks1 n LYS 228 N -1.25 0.06 -0.90 5.56 5.02 -0.95 -4.56 118.16 121.14 3ks1 n LYS 228 Ca 0.11 0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 56.11 3ks1 n LYS 228 Cb 0.16 -1.54 0.16 0.00 -0.02 0.00 0.00 35.03 33.79 3ks1 n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ks1 s LEU 229 N -3.25 2.31 -0.03 -0.35 1.43 -0.96 -4.86 118.68 112.97 3ks1 s LEU 229 Ca 0.10 1.80 0.07 0.00 -1.03 0.00 0.00 54.13 55.08 3ks1 s LEU 229 Cb 0.17 -4.15 -0.02 0.00 0.03 0.00 0.00 46.19 42.22 3ks1 s LEU 229 CO 0.68 -3.02 -0.25 0.20 0.23 0.00 0.00 176.35 174.19 3ks1 s ASN 230 N -2.97 2.95 0.20 2.29 0.02 0.18 -0.35 114.94 117.26 3ks1 s ASN 230 Ca 0.65 -0.46 -0.01 0.00 -1.02 0.00 0.00 52.86 52.02 3ks1 s ASN 230 Cb -0.21 -0.41 0.13 0.00 0.02 0.00 0.00 41.25 40.78 3ks1 s ASN 230 CO 0.59 0.30 1.49 -0.26 0.02 0.00 0.00 177.10 179.24 3ks1 h PHE 231 N 5.61 0.55 -4.35 2.20 0.04 -1.34 -3.35 116.94 116.30 3ks1 h PHE 231 Ca -0.41 -0.22 -0.50 0.00 2.80 0.00 0.00 57.97 59.65 3ks1 h PHE 231 Cb 1.13 -0.10 0.09 0.00 2.20 0.00 0.00 35.95 39.28 3ks1 h PHE 231 CO 0.40 0.94 0.37 0.54 -0.60 0.00 0.00 178.31 179.96 3ks1 s ASN 232 N -6.94 5.17 0.76 2.17 4.22 -1.26 -4.33 114.94 114.73 3ks1 s ASN 232 Ca -0.06 1.40 -0.11 0.00 -2.14 0.00 0.00 52.86 51.95 3ks1 s ASN 232 Cb 0.11 -2.23 0.05 0.00 1.28 0.00 0.00 41.25 40.46 3ks1 s ASN 232 CO 0.83 -1.55 1.13 -0.83 -2.04 0.00 0.00 177.10 174.64 3ks1 s GLY 233 N -3.97 1.61 0.30 0.45 0.00 -1.26 -0.84 107.32 103.60 3ks1 s GLY 233 Ca 0.59 -0.56 -0.30 0.00 0.00 0.00 0.00 44.72 44.45 3ks1 s GLY 233 CO 0.54 -0.12 1.54 1.85 0.00 0.00 0.00 173.10 176.91 3ks1 s GLU 234 N -5.47 4.15 0.00 2.90 2.12 -1.26 -2.15 118.70 119.00 3ks1 s GLU 234 Ca 0.60 2.51 0.00 0.00 0.36 0.00 0.00 54.97 58.45 3ks1 s GLU 234 Cb -0.11 -3.03 0.00 0.00 0.26 0.00 0.00 34.13 31.25 3ks1 s GLU 234 CO 0.50 -0.57 0.00 0.41 -0.54 0.00 0.00 175.26 175.06 3ks1 n GLY 235 N 1.91 0.45 3.62 -1.50 0.00 -1.26 -5.05 105.19 103.36 3ks1 n GLY 235 Ca 0.07 -0.61 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 3ks1 n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ks1 s GLU 236 N -1.12 2.12 0.25 1.61 2.02 -0.91 -5.09 118.70 117.58 3ks1 s GLU 236 Ca 0.00 -1.62 -0.31 0.00 0.02 0.00 0.00 54.97 53.06 3ks1 s GLU 236 Cb 0.00 -2.01 -0.13 0.00 0.10 0.00 0.00 34.13 32.09 3ks1 s GLU 236 CO 0.00 0.24 1.42 -2.30 0.02 0.00 0.00 175.26 174.64 3ks1 n PRO 237 N -0.91 2.11 -2.39 0.39 -0.02 -1.26 -4.87 135.00 128.05 3ks1 n PRO 237 Ca -0.05 0.75 -0.43 0.00 -2.02 0.00 0.00 63.50 61.75 3ks1 n PRO 237 Cb 0.61 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 3ks1 n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3ks1 s GLU 238 N -0.52 4.26 -0.21 -0.52 2.12 -1.26 -4.75 118.70 117.81 3ks1 s GLU 238 Ca 0.67 1.72 0.01 0.00 0.36 0.00 0.00 54.97 57.73 3ks1 s GLU 238 Cb -0.63 -3.72 0.05 0.00 0.26 0.00 0.00 34.13 30.09 3ks1 s GLU 238 CO 0.50 -0.65 -0.08 -1.21 -0.54 0.00 0.00 175.26 173.28 3ks1 s GLU 239 N 3.19 1.82 0.31 4.30 2.02 -1.26 -5.06 118.70 124.02 3ks1 s GLU 239 Ca 0.57 -0.91 -0.29 0.00 0.02 0.00 0.00 54.97 54.36 3ks1 s GLU 239 Cb -0.24 -2.48 -0.11 0.00 0.10 0.00 0.00 34.13 31.40 3ks1 s GLU 239 CO 0.18 -0.51 1.49 -0.51 0.02 0.00 0.00 175.26 175.94 3ks1 s LEU 240 N 1.40 4.36 -0.92 1.80 1.43 -1.26 -1.07 118.68 124.41 3ks1 s LEU 240 Ca -0.03 2.88 -0.24 0.00 -1.03 0.00 0.00 54.13 55.70 3ks1 s LEU 240 Cb -0.17 -3.64 0.01 0.00 0.03 0.00 0.00 46.19 42.41 3ks1 s LEU 240 CO -0.07 -0.81 1.63 -0.32 0.23 0.00 0.00 176.35 177.01 3ks1 s MET 241 N -1.05 3.14 0.04 1.70 -2.45 0.53 -4.56 119.30 116.65 3ks1 s MET 241 Ca 0.58 -0.64 -0.05 0.00 -1.25 0.00 0.00 55.69 54.33 3ks1 s MET 241 Cb -0.45 -5.07 -0.01 0.00 1.25 0.00 0.00 34.83 30.54 3ks1 s MET 241 CO 0.51 -2.63 0.08 0.14 1.05 0.00 0.00 175.02 174.18 3ks1 s VAL 242 N 7.03 0.15 -1.35 10.11 -7.23 -1.26 -4.53 120.40 123.32 3ks1 s VAL 242 Ca 0.54 -1.20 -0.05 0.00 -1.81 0.00 0.00 61.98 59.46 3ks1 s VAL 242 Cb -0.04 -1.01 0.02 0.00 0.56 0.00 0.00 36.38 35.91 3ks1 s VAL 242 CO -0.02 -0.66 0.96 0.47 -0.31 0.00 0.00 175.10 175.53 3ks1 n ASP 243 N 0.61 -3.48 -2.27 4.85 8.00 -0.13 -4.84 116.55 119.30 3ks1 n ASP 243 Ca -0.18 -0.69 -0.24 0.00 0.71 0.00 0.00 54.79 54.38 3ks1 n ASP 243 Cb 0.59 -4.51 -0.00 0.00 -0.02 0.00 0.00 41.12 37.17 3ks1 n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3ks1 n ASN 244 N -3.01 6.64 -4.38 -2.24 6.94 -1.11 -4.90 115.26 113.19 3ks1 n ASN 244 Ca -0.14 -3.24 -0.32 0.00 -0.02 0.00 0.00 54.58 50.86 3ks1 n ASN 244 Cb 0.61 -1.14 -0.15 0.00 -2.36 0.00 0.00 39.78 36.75 3ks1 n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 3ks1 s TRP 245 N -2.07 2.48 0.09 -2.53 1.48 -1.26 -4.63 118.94 112.51 3ks1 s TRP 245 Ca 0.49 -0.33 -0.24 0.00 -1.06 0.00 0.00 56.10 54.95 3ks1 s TRP 245 Cb 0.35 -1.56 -0.07 0.00 -1.16 0.00 0.00 33.47 31.03 3ks1 s TRP 245 CO -0.13 0.05 0.74 0.50 -4.06 0.00 0.00 176.95 174.05 3ks1 s ARG 246 N -0.64 4.49 0.87 3.25 3.52 -1.26 -4.96 118.95 124.21 3ks1 s ARG 246 Ca 0.10 1.05 -0.12 0.00 -0.13 0.00 0.00 55.73 56.64 3ks1 s ARG 246 Cb -0.10 -3.31 0.11 0.00 -1.56 0.00 0.00 34.95 30.09 3ks1 s ARG 246 CO -0.00 0.43 1.10 -1.25 -0.81 0.00 0.00 175.30 174.77 3ks1 s PRO 247 N -0.57 1.46 0.35 5.12 0.04 -1.26 -4.59 135.00 135.55 3ks1 s PRO 247 Ca 0.36 0.58 -0.28 0.00 0.04 0.00 0.00 61.00 61.70 3ks1 s PRO 247 Cb -0.21 -1.85 -0.12 0.00 0.04 0.00 0.00 34.50 32.36 3ks1 s PRO 247 CO 0.24 -2.04 1.39 0.00 0.04 0.00 0.00 177.00 176.62 3ks1 n ALA 248 N -3.71 1.77 -2.63 8.56 0.00 -1.26 -4.36 120.51 118.89 3ks1 n ALA 248 Ca 0.07 0.36 -0.23 0.00 0.00 0.00 0.00 53.44 53.64 3ks1 n ALA 248 Cb 0.57 -2.33 -0.06 0.00 0.00 0.00 0.00 19.45 17.63 3ks1 n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3ks1 s GLN 249 N -1.85 2.51 0.23 0.00 -1.52 0.41 -4.94 119.66 114.49 3ks1 s GLN 249 Ca 0.55 -1.36 -0.32 0.00 -1.95 0.00 0.00 55.36 52.29 3ks1 s GLN 249 Cb -0.53 -2.29 -0.13 0.00 -0.22 0.00 0.00 33.01 29.84 3ks1 s GLN 249 CO 0.62 0.27 1.60 -2.30 -0.25 0.00 0.00 175.29 175.22 3ks1 n PRO 250 N -1.09 2.49 0.13 2.91 -0.02 -1.26 -4.56 135.00 133.60 3ks1 n PRO 250 Ca -0.05 0.89 -0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3ks1 n PRO 250 Cb 0.59 -2.67 0.27 0.00 -0.02 0.00 0.00 33.50 31.67 3ks1 n PRO 250 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ks1 h LEU 251 N 5.55 0.14 0.00 2.45 5.85 -1.94 -3.43 115.31 123.92 3ks1 h LEU 251 Ca -0.45 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.22 3ks1 h LEU 251 Cb 1.23 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3ks1 h LEU 251 CO 0.86 0.54 0.00 0.29 -0.34 0.00 0.00 178.44 179.78 3ks1 n LYS 252 N -4.04 0.00 -1.81 1.25 5.02 -1.26 -2.89 118.16 114.43 3ks1 n LYS 252 Ca -0.02 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.91 3ks1 n LYS 252 Cb 0.46 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.45 3ks1 n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3ks1 n ASN 253 N 2.49 7.62 -4.12 4.39 5.15 -1.26 -4.92 115.26 124.62 3ks1 n ASN 253 Ca 0.00 -3.11 -0.15 0.00 -0.60 0.00 0.00 54.58 50.71 3ks1 n ASN 253 Cb 0.00 -1.34 -0.12 0.00 -0.53 0.00 0.00 39.78 37.79 3ks1 n ASN 253 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3ks1 s ARG 254 N -1.08 0.69 -0.08 1.20 0.52 -1.14 -5.10 118.95 113.96 3ks1 s ARG 254 Ca 0.56 -0.90 0.03 0.00 -0.52 0.00 0.00 55.73 54.91 3ks1 s ARG 254 Cb 0.24 -0.53 -0.02 0.00 0.52 0.00 0.00 34.95 35.16 3ks1 s ARG 254 CO -0.12 0.11 -0.18 -0.65 0.02 0.00 0.00 175.30 174.47 3ks1 s GLN 255 N -1.84 2.77 -0.13 3.54 -0.21 -1.26 -5.04 119.66 117.49 3ks1 s GLN 255 Ca -0.04 -0.77 -0.14 0.00 0.02 0.00 0.00 55.36 54.43 3ks1 s GLN 255 Cb -0.09 -2.37 -0.05 0.00 1.00 0.00 0.00 33.01 31.50 3ks1 s GLN 255 CO 0.01 0.42 0.32 0.42 -2.12 0.00 0.00 175.29 174.34 3ks1 s ILE 256 N -0.22 5.27 -0.03 1.08 1.01 -1.26 -4.68 121.20 122.37 3ks1 s ILE 256 Ca -0.00 0.62 0.01 0.00 0.00 0.00 0.00 60.65 61.27 3ks1 s ILE 256 Cb -0.13 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 3ks1 s ILE 256 CO 0.03 0.42 -0.02 -0.54 0.00 0.00 0.00 174.94 174.82 3ks1 s LYS 257 N 0.21 2.78 -0.06 2.79 1.02 -0.43 -1.92 119.74 124.14 3ks1 s LYS 257 Ca 0.19 -0.57 -0.01 0.00 0.02 0.00 0.00 55.97 55.59 3ks1 s LYS 257 Cb -0.14 -2.65 -0.03 0.00 -0.52 0.00 0.00 37.83 34.49 3ks1 s LYS 257 CO 0.06 0.65 0.02 0.00 -0.92 0.00 0.00 175.35 175.15 3ks1 s ALA 258 N -0.97 3.35 -1.96 5.17 0.00 0.32 -0.53 121.76 127.14 3ks1 s ALA 258 Ca 0.16 -0.83 0.28 0.00 0.00 0.00 0.00 51.96 51.57 3ks1 s ALA 258 Cb -0.11 -1.49 1.13 0.00 0.00 0.00 0.00 23.12 22.65 3ks1 s ALA 258 CO 0.06 0.61 1.79 -1.13 0.00 0.00 0.00 175.76 177.10 3ks1 n SER 259 N 1.86 0.86 -4.11 0.00 3.41 -0.07 -0.94 113.62 114.62 3ks1 n SER 259 Ca -0.17 -0.97 -0.12 0.00 -0.26 0.00 0.00 58.87 57.36 3ks1 n SER 259 Cb 0.53 0.01 -0.11 0.00 -0.26 0.00 0.00 64.21 64.39 3ks1 n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3ks1 s PHE 260 N -2.29 0.76 -2.85 7.33 -0.71 -1.26 -4.88 117.98 114.07 3ks1 s PHE 260 Ca 0.32 -0.72 0.25 0.00 -1.04 0.00 0.00 56.93 55.75 3ks1 s PHE 260 Cb 0.20 -0.45 0.44 0.00 -1.21 0.00 0.00 43.02 42.01 3ks1 s PHE 260 CO 0.44 -0.13 1.40 1.63 -1.34 0.00 0.00 175.22 177.22