#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kxp s PHE 12 N 0.00 2.51 -0.18 4.41 0.40 -1.26 -4.88 117.98 118.99 3kxp s PHE 12 Ca 0.00 1.56 0.01 0.00 -0.60 0.00 0.00 56.93 57.90 3kxp s PHE 12 Cb 0.00 -3.25 0.02 0.00 0.51 0.00 0.00 43.02 40.30 3kxp s PHE 12 CO 0.00 -1.86 -0.17 0.42 0.70 0.00 0.00 175.22 174.31 3kxp s ILE 13 N -2.17 1.87 -0.09 0.64 -1.09 0.47 -4.91 121.20 115.92 3kxp s ILE 13 Ca 0.69 -0.88 -0.06 0.00 -2.23 0.00 0.00 60.65 58.17 3kxp s ILE 13 Cb -0.23 -1.74 -0.04 0.00 -1.58 0.00 0.00 42.46 38.87 3kxp s ILE 13 CO 0.40 0.45 0.16 -0.55 -1.23 0.00 0.00 174.94 174.17 3kxp s SER 14 N 1.35 6.40 -0.02 3.58 0.15 -1.26 -0.67 113.70 123.23 3kxp s SER 14 Ca 0.04 0.46 -0.30 0.00 0.70 0.00 0.00 55.95 56.85 3kxp s SER 14 Cb -0.14 -2.06 0.08 0.00 -1.71 0.00 0.00 66.02 62.19 3kxp s SER 14 CO -0.11 0.37 0.70 0.00 1.20 0.00 0.00 173.24 175.39 3kxp s ARG 15 N -1.27 1.05 -0.32 5.44 1.70 -0.77 -5.00 118.95 119.78 3kxp s ARG 15 Ca 0.19 0.12 -0.18 0.00 -0.47 0.00 0.00 55.73 55.39 3kxp s ARG 15 Cb -0.12 0.49 -0.01 0.00 -0.57 0.00 0.00 34.95 34.73 3kxp s ARG 15 CO 0.08 -0.36 0.50 1.03 -1.08 0.00 0.00 175.30 175.47 3kxp s ARG 16 N -1.65 3.79 -0.23 3.89 0.52 -1.26 -1.23 118.95 122.78 3kxp s ARG 16 Ca -0.08 -0.01 -0.11 0.00 -0.52 0.00 0.00 55.73 55.02 3kxp s ARG 16 Cb -0.00 -3.75 -0.05 0.00 0.52 0.00 0.00 34.95 31.67 3kxp s ARG 16 CO 0.05 -0.52 0.18 0.08 0.02 0.00 0.00 175.30 175.10 3kxp s VAL 17 N 2.33 5.35 -0.48 3.52 1.01 0.23 -4.88 120.40 127.49 3kxp s VAL 17 Ca 0.19 0.23 -0.23 0.00 0.00 0.00 0.00 61.98 62.16 3kxp s VAL 17 Cb -0.16 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.74 3kxp s VAL 17 CO 0.12 0.35 0.82 -0.62 0.00 0.00 0.00 175.10 175.77 3kxp s ASP 18 N 0.96 6.38 -0.15 3.32 3.68 -1.26 -1.12 116.67 128.48 3kxp s ASP 18 Ca 0.09 -0.23 0.15 0.00 2.13 0.00 0.00 52.55 54.68 3kxp s ASP 18 Cb -0.13 -2.39 0.70 0.00 -1.45 0.00 0.00 42.92 39.65 3kxp s ASP 18 CO 0.04 -1.00 1.59 2.30 0.13 0.00 0.00 175.17 178.23 3kxp n ILE 19 N 6.12 2.03 0.00 4.11 -5.35 -0.42 -4.98 119.36 120.87 3kxp n ILE 19 Ca 0.02 -1.16 0.00 0.00 -0.27 0.00 0.00 62.75 61.33 3kxp n ILE 19 Cb 0.48 -0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.30 3kxp n ILE 19 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kxp n GLY 20 N 0.87 2.14 0.34 3.28 0.00 -1.26 -4.55 105.19 106.01 3kxp n GLY 20 Ca 0.24 -0.37 0.21 0.00 0.00 0.00 0.00 46.02 46.10 3kxp n GLY 20 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3kxp h ARG 21 N 0.00 0.00 -1.66 1.61 0.11 -1.99 -3.45 114.38 109.00 3kxp h ARG 21 Ca 0.00 0.00 0.29 0.00 0.10 0.00 0.00 59.98 60.37 3kxp h ARG 21 Cb 0.00 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 30.96 3kxp h ARG 21 CO 0.00 0.00 0.75 -1.50 0.10 0.00 0.00 179.97 179.32 3kxp s ILE 22 N -4.16 0.00 -0.15 0.08 2.07 -1.26 -5.15 121.20 112.63 3kxp s ILE 22 Ca -0.05 -0.31 0.02 0.00 -1.41 0.00 0.00 60.65 58.91 3kxp s ILE 22 Cb 0.12 -1.93 0.01 0.00 0.13 0.00 0.00 42.46 40.79 3kxp s ILE 22 CO 0.38 0.00 -0.21 -0.89 -1.91 0.00 0.00 174.94 172.31 3kxp s THR 23 N -2.63 2.15 0.13 4.00 2.01 -1.26 -1.30 115.64 118.74 3kxp s THR 23 Ca 0.13 -0.94 0.11 0.00 0.31 0.00 0.00 61.69 61.30 3kxp s THR 23 Cb 0.03 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 3kxp s THR 23 CO -0.03 0.54 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.43 3kxp s LEU 24 N 0.92 2.39 -0.05 4.42 1.43 -0.28 -1.68 118.68 125.83 3kxp s LEU 24 Ca -0.04 -0.72 -0.15 0.00 -1.03 0.00 0.00 54.13 52.18 3kxp s LEU 24 Cb -0.15 -1.27 -0.05 0.00 0.03 0.00 0.00 46.19 44.75 3kxp s LEU 24 CO -0.04 0.18 0.39 0.21 0.23 0.00 0.00 176.35 177.32 3kxp s ASN 25 N -2.11 6.72 0.06 2.29 2.47 -1.26 0.77 114.94 123.87 3kxp s ASN 25 Ca 0.15 0.85 0.01 0.00 0.42 0.00 0.00 52.86 54.29 3kxp s ASN 25 Cb -0.10 -2.24 -0.03 0.00 -1.45 0.00 0.00 41.25 37.43 3kxp s ASN 25 CO 0.07 0.23 -0.06 0.68 -3.72 0.00 0.00 177.10 174.30 3kxp s VAL 26 N -0.52 0.47 -0.18 -5.21 -7.23 -0.37 -0.98 120.40 106.38 3kxp s VAL 26 Ca 0.23 -1.40 -0.02 0.00 -1.81 0.00 0.00 61.98 58.98 3kxp s VAL 26 Cb -0.16 -0.99 -0.01 0.00 0.56 0.00 0.00 36.38 35.79 3kxp s VAL 26 CO 0.11 -0.63 -0.10 -0.13 -0.31 0.00 0.00 175.10 174.04 3kxp s ARG 27 N -2.55 3.31 0.06 4.82 0.52 -0.32 -1.84 118.95 122.96 3kxp s ARG 27 Ca -0.02 -0.68 0.09 0.00 -0.52 0.00 0.00 55.73 54.60 3kxp s ARG 27 Cb -0.03 -2.80 -0.03 0.00 0.52 0.00 0.00 34.95 32.61 3kxp s ARG 27 CO -0.03 -0.05 -0.25 -2.00 0.02 0.00 0.00 175.30 172.99 3kxp s GLU 28 N 1.04 1.59 0.01 3.54 2.12 0.16 -1.70 118.70 125.46 3kxp s GLU 28 Ca -0.00 -1.11 -0.28 0.00 0.36 0.00 0.00 54.97 53.93 3kxp s GLU 28 Cb -0.15 -1.81 0.08 0.00 0.26 0.00 0.00 34.13 32.51 3kxp s GLU 28 CO -0.02 0.46 0.70 0.21 -0.54 0.00 0.00 175.26 176.08 3kxp s LYS 29 N -1.40 1.06 1.12 4.30 2.20 -0.82 -0.39 119.74 125.81 3kxp s LYS 29 Ca 0.11 -0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.68 3kxp s LYS 29 Cb -0.10 0.50 0.00 0.00 -1.51 0.00 0.00 37.83 36.72 3kxp s LYS 29 CO 0.03 -0.39 0.00 0.41 -0.36 0.00 0.00 175.35 175.04 3kxp n GLY 30 N 0.37 -2.00 3.32 5.54 0.00 -1.26 -1.14 105.19 110.02 3kxp n GLY 30 Ca -0.17 -1.40 -0.10 0.00 0.00 0.00 0.00 46.02 44.36 3kxp n GLY 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kxp s SER 31 N -4.00 -0.12 0.00 1.61 1.04 -0.97 -4.65 113.70 106.61 3kxp s SER 31 Ca 0.00 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.94 3kxp s SER 31 Cb 0.00 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.57 3kxp s SER 31 CO 0.00 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 173.98 3kxp n GLY 32 N -0.20 -0.01 3.69 7.32 0.00 -1.26 -1.54 105.19 113.19 3kxp n GLY 32 Ca -0.14 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.27 3kxp n GLY 32 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kxp n PRO 33 N 0.00 2.00 -1.39 1.61 -0.02 -1.25 -3.69 135.00 132.26 3kxp n PRO 33 Ca 0.00 0.70 -0.30 0.00 -2.02 0.00 0.00 63.50 61.88 3kxp n PRO 33 Cb 0.00 -2.28 0.22 0.00 -0.02 0.00 0.00 33.50 31.42 3kxp n PRO 33 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kxp s LEU 34 N -0.97 1.42 -0.29 2.45 2.96 -1.26 -1.28 118.68 121.71 3kxp s LEU 34 Ca 0.57 0.47 -0.23 0.00 -0.22 0.00 0.00 54.13 54.72 3kxp s LEU 34 Cb -0.57 -2.29 0.15 0.00 0.50 0.00 0.00 46.19 43.97 3kxp s LEU 34 CO 0.61 -3.66 1.13 -0.76 -1.32 0.00 0.00 176.35 172.35 3kxp s LEU 36 N -6.57 -0.35 -0.09 -0.68 1.43 0.38 -0.42 118.68 112.37 3kxp s LEU 36 Ca 0.72 0.65 0.02 0.00 -1.03 0.00 0.00 54.13 54.49 3kxp s LEU 36 Cb -0.07 1.64 -0.02 0.00 0.03 0.00 0.00 46.19 47.78 3kxp s LEU 36 CO 0.55 -0.11 -0.16 -0.36 0.23 0.00 0.00 176.35 176.50 3kxp s PHE 37 N 0.42 2.71 -0.08 0.29 0.40 -0.17 -1.03 117.98 120.50 3kxp s PHE 37 Ca 0.01 -0.54 0.02 0.00 -0.60 0.00 0.00 56.93 55.83 3kxp s PHE 37 Cb -0.05 -1.73 0.01 0.00 0.51 0.00 0.00 43.02 41.76 3kxp s PHE 37 CO -0.10 -0.11 -0.14 -0.06 0.70 0.00 0.00 175.22 175.51 3kxp s PHE 38 N -0.06 1.74 0.87 0.36 0.40 -0.82 -1.32 117.98 119.14 3kxp s PHE 38 Ca -0.04 -0.72 -0.13 0.00 -0.60 0.00 0.00 56.93 55.44 3kxp s PHE 38 Cb -0.14 -1.26 0.12 0.00 0.51 0.00 0.00 43.02 42.25 3kxp s PHE 38 CO 0.04 -0.37 1.23 -3.38 0.70 0.00 0.00 175.22 173.44 3kxp s HIS 39 N 0.78 2.46 0.70 0.36 -3.43 -1.26 -0.57 115.29 114.33 3kxp s HIS 39 Ca -0.12 0.60 -0.07 0.00 -0.80 0.00 0.00 55.06 54.67 3kxp s HIS 39 Cb -0.16 -3.71 0.05 0.00 -1.43 0.00 0.00 32.58 27.33 3kxp s HIS 39 CO 0.02 -2.10 1.02 0.20 -2.00 0.00 0.00 174.74 171.88 3kxp s GLY 40 N -4.68 1.66 0.26 -1.38 0.00 -1.20 -2.18 107.32 99.82 3kxp s GLY 40 Ca 0.66 -0.83 -0.31 0.00 0.00 0.00 0.00 44.72 44.24 3kxp s GLY 40 CO 0.50 -0.44 1.56 4.51 0.00 0.00 0.00 173.10 179.24 3kxp n ILE 41 N -2.93 0.83 -0.20 0.90 3.06 -1.26 -1.59 119.36 118.17 3kxp n ILE 41 Ca 0.07 -0.21 0.00 0.00 -2.50 0.00 0.00 62.75 60.12 3kxp n ILE 41 Cb 0.60 -1.82 0.00 0.00 0.54 0.00 0.00 39.64 38.96 3kxp n ILE 41 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 3kxp n THR 42 N 2.37 0.00 -1.71 9.51 -2.24 -1.26 -4.99 114.28 115.95 3kxp n THR 42 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 3kxp n THR 42 Cb 0.35 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 3kxp n THR 42 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3kxp n SER 43 N 0.00 0.00 -3.69 3.42 2.88 -0.62 -4.89 113.62 110.71 3kxp n SER 43 Ca 0.00 -0.88 -0.08 0.00 -1.33 0.00 0.00 58.87 56.58 3kxp n SER 43 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 3kxp n SER 43 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3kxp s ASN 44 N -1.00 -0.17 0.61 -3.46 2.20 -1.26 -4.43 114.94 107.43 3kxp s ASN 44 Ca 0.00 -0.76 0.31 0.00 -0.94 0.00 0.00 52.86 51.46 3kxp s ASN 44 Cb 0.00 0.73 1.69 0.00 -2.00 0.00 0.00 41.25 41.68 3kxp s ASN 44 CO 0.00 -1.39 2.04 0.77 -2.94 0.00 0.00 177.10 175.59 3kxp h SER 45 N 2.03 0.00 0.15 3.54 4.64 -1.90 -3.02 113.55 118.99 3kxp h SER 45 Ca -0.22 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 3kxp h SER 45 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3kxp h SER 45 CO 0.28 0.00 -0.06 0.00 -0.87 0.00 0.00 176.83 176.18 3kxp h ALA 46 N 1.62 1.46 0.00 5.18 0.00 -1.94 -2.70 119.26 122.88 3kxp h ALA 46 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kxp h ALA 46 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3kxp h ALA 46 CO -0.00 0.07 0.00 -0.39 0.00 0.00 0.00 179.25 178.93 3kxp h VAL 47 N 0.00 0.00 0.00 0.00 -1.51 -1.87 -2.75 116.25 110.12 3kxp h VAL 47 Ca -0.00 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 3kxp h VAL 47 Cb 0.15 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 30.15 3kxp h VAL 47 CO 0.01 0.00 -0.90 0.49 -1.23 0.00 0.00 177.57 175.94 3kxp n PHE 48 N -2.47 0.24 -0.27 5.19 3.01 -1.02 -4.47 117.46 117.67 3kxp n PHE 48 Ca -0.00 0.07 0.08 0.00 1.01 0.00 0.00 57.45 58.61 3kxp n PHE 48 Cb 0.14 -0.41 0.21 0.00 -0.01 0.00 0.00 39.48 39.41 3kxp n PHE 48 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3kxp h GLU 49 N 0.00 0.18 -0.41 -1.08 5.08 -1.65 0.62 114.58 117.33 3kxp h GLU 49 Ca 0.00 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3kxp h GLU 49 Cb 0.68 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 3kxp h GLU 49 CO 0.00 0.12 0.27 -1.35 -1.00 0.00 0.00 179.01 177.05 3kxp h PRO 50 N 0.19 0.52 -1.03 2.33 0.11 -1.82 -1.52 132.00 130.78 3kxp h PRO 50 Ca 0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.54 3kxp h PRO 50 Cb 0.85 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3kxp h PRO 50 CO -0.62 0.34 0.00 -0.11 -0.21 0.00 0.00 178.00 177.41 3kxp n LEU 51 N -4.48 2.32 0.00 2.35 7.94 0.21 -4.01 117.00 121.32 3kxp n LEU 51 Ca 0.03 -1.16 0.00 0.00 -1.11 0.00 0.00 56.01 53.77 3kxp n LEU 51 Cb 0.07 -0.47 0.00 0.00 0.53 0.00 0.00 43.42 43.55 3kxp n LEU 51 CO 0.35 0.41 0.00 -0.38 -1.11 0.00 0.00 177.39 176.66 3kxp n ILE 53 N 0.40 0.00 0.23 1.96 5.41 -0.57 -3.33 119.36 123.46 3kxp n ILE 53 Ca 0.00 0.00 0.13 0.00 1.00 0.00 0.00 62.75 63.88 3kxp n ILE 53 Cb 0.41 0.00 0.31 0.00 -0.71 0.00 0.00 39.64 39.65 3kxp n ILE 53 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3kxp h ARG 54 N 0.00 0.00 -0.00 0.38 -0.00 -1.84 -3.32 114.38 109.60 3kxp h ARG 54 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 3kxp h ARG 54 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 3kxp h ARG 54 CO 0.00 0.02 -0.06 1.28 0.00 0.00 0.00 179.97 181.20 3kxp n LEU 55 N -3.10 1.08 -0.28 3.04 4.77 -1.21 -4.71 117.00 116.59 3kxp n LEU 55 Ca 0.03 -0.85 0.12 0.00 -0.03 0.00 0.00 56.01 55.28 3kxp n LEU 55 Cb 0.47 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 41.94 3kxp n LEU 55 CO 0.32 0.23 1.22 0.28 -1.33 0.00 0.00 177.39 178.11 3kxp h SER 56 N 0.72 0.66 -0.03 -1.43 0.02 -1.76 -1.52 113.55 110.21 3kxp h SER 56 Ca 0.00 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3kxp h SER 56 Cb 0.19 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 3kxp h SER 56 CO 0.00 0.32 0.02 -2.24 -1.14 0.00 0.00 176.83 173.79 3kxp h ASP 57 N 0.69 0.00 0.00 3.07 3.04 -1.84 -2.97 116.42 118.41 3kxp h ASP 57 Ca 0.46 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.25 3kxp h ASP 57 Cb 0.76 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.05 3kxp h ASP 57 CO -0.22 0.00 0.00 -2.11 -2.04 0.00 0.00 179.24 174.87 3kxp n ARG 58 N -4.43 -0.52 -4.13 4.15 1.85 -1.04 -4.75 116.66 107.79 3kxp n ARG 58 Ca -0.02 -0.31 -0.14 0.00 -1.00 0.00 0.00 57.85 56.37 3kxp n ARG 58 Cb 0.12 -0.79 -0.11 0.00 -1.05 0.00 0.00 32.46 30.62 3kxp n ARG 58 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3kxp s PHE 59 N -0.02 0.93 -0.67 2.89 0.40 -0.59 -3.89 117.98 117.03 3kxp s PHE 59 Ca 0.00 -0.57 -0.19 0.00 -0.60 0.00 0.00 56.93 55.57 3kxp s PHE 59 Cb 0.00 -0.53 0.11 0.00 0.51 0.00 0.00 43.02 43.12 3kxp s PHE 59 CO 0.00 -0.03 0.80 0.99 0.70 0.00 0.00 175.22 177.68 3kxp s THR 60 N -1.88 4.82 -0.11 0.64 2.01 -0.40 -2.30 115.64 118.42 3kxp s THR 60 Ca -0.02 -1.15 -0.23 0.00 0.31 0.00 0.00 61.69 60.61 3kxp s THR 60 Cb -0.06 -4.56 -0.03 0.00 0.01 0.00 0.00 72.50 67.86 3kxp s THR 60 CO 0.00 -1.22 0.68 0.42 -0.69 0.00 0.00 174.62 173.82 3kxp s THR 61 N 2.61 5.03 -0.12 -0.82 -4.23 -0.29 -4.42 115.64 113.41 3kxp s THR 61 Ca 0.16 1.37 -0.03 0.00 -1.18 0.00 0.00 61.69 62.02 3kxp s THR 61 Cb -0.19 -4.01 0.04 0.00 1.34 0.00 0.00 72.50 69.68 3kxp s THR 61 CO 0.03 0.20 0.04 -0.63 -0.54 0.00 0.00 174.62 173.72 3kxp s ILE 62 N 1.17 0.22 -0.05 2.99 1.01 -1.26 -1.94 121.20 123.34 3kxp s ILE 62 Ca 0.35 -0.04 -0.16 0.00 0.00 0.00 0.00 60.65 60.80 3kxp s ILE 62 Cb -0.17 -0.59 -0.05 0.00 0.01 0.00 0.00 42.46 41.66 3kxp s ILE 62 CO 0.15 0.02 0.43 0.00 0.00 0.00 0.00 174.94 175.54 3kxp s ALA 63 N 2.02 3.61 -0.11 9.38 0.00 -0.69 -1.00 121.76 134.97 3kxp s ALA 63 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.78 3kxp s ALA 63 Cb -0.14 -2.48 -0.02 0.00 0.00 0.00 0.00 23.12 20.48 3kxp s ALA 63 CO -0.06 0.29 -0.12 0.08 0.00 0.00 0.00 175.76 175.95 3kxp s VAL 64 N -0.40 3.17 -0.44 0.00 1.01 -0.44 -1.17 120.40 122.13 3kxp s VAL 64 Ca 0.24 -0.63 -0.25 0.00 0.00 0.00 0.00 61.98 61.33 3kxp s VAL 64 Cb -0.16 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.93 3kxp s VAL 64 CO 0.12 0.54 0.91 -1.81 0.00 0.00 0.00 175.10 174.86 3kxp s ASP 65 N 0.08 6.52 0.77 3.32 -0.00 -0.15 -4.20 116.67 123.00 3kxp s ASP 65 Ca -0.05 0.18 -0.11 0.00 -0.00 0.00 0.00 52.55 52.57 3kxp s ASP 65 Cb -0.14 -2.45 0.05 0.00 -0.00 0.00 0.00 42.92 40.38 3kxp s ASP 65 CO 0.04 -1.00 1.08 -1.10 -0.00 0.00 0.00 175.17 174.19 3kxp s GLN 66 N 3.66 2.31 0.25 8.23 -0.21 -1.26 -4.17 119.66 128.47 3kxp s GLN 66 Ca 0.36 0.84 -0.28 0.00 0.02 0.00 0.00 55.36 56.31 3kxp s GLN 66 Cb -0.11 -1.93 -0.15 0.00 1.00 0.00 0.00 33.01 31.82 3kxp s GLN 66 CO 0.25 -1.51 0.73 2.89 -2.12 0.00 0.00 175.29 175.52 3kxp n ARG 67 N -3.39 0.63 -0.30 2.91 1.85 -1.26 -0.94 116.66 116.16 3kxp n ARG 67 Ca 0.07 0.22 0.00 0.00 -1.00 0.00 0.00 57.85 57.15 3kxp n ARG 67 Cb 0.55 -1.40 0.00 0.00 -1.05 0.00 0.00 32.46 30.56 3kxp n ARG 67 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kxp n GLY 68 N 1.65 2.13 3.62 2.89 0.00 -0.41 -5.00 105.19 110.06 3kxp n GLY 68 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 3kxp n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kxp s HIS 69 N -3.08 2.51 0.00 1.61 3.76 -0.11 -1.78 115.29 118.19 3kxp s HIS 69 Ca 0.00 -0.51 0.00 0.00 -0.15 0.00 0.00 55.06 54.40 3kxp s HIS 69 Cb 0.00 -1.55 0.00 0.00 1.11 0.00 0.00 32.58 32.14 3kxp s HIS 69 CO 0.00 0.47 0.00 0.41 -0.85 0.00 0.00 174.74 174.77 3kxp n GLY 70 N -0.94 2.67 1.95 -2.22 0.00 -1.26 -1.70 105.19 103.68 3kxp n GLY 70 Ca -0.04 0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 3kxp n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kxp n LEU 71 N 0.00 5.96 -4.98 0.99 4.77 -1.26 -4.66 117.00 117.82 3kxp n LEU 71 Ca 0.00 -3.13 -0.21 0.00 -0.03 0.00 0.00 56.01 52.64 3kxp n LEU 71 Cb 0.00 -0.72 0.04 0.00 -2.33 0.00 0.00 43.42 40.40 3kxp n LEU 71 CO 0.00 0.75 0.36 -0.44 -1.33 0.00 0.00 177.39 176.73 3kxp s SER 72 N -0.99 5.25 0.52 -1.43 0.01 -0.69 -4.39 113.70 111.98 3kxp s SER 72 Ca 0.55 -0.06 -0.23 0.00 1.31 0.00 0.00 55.95 57.52 3kxp s SER 72 Cb 0.43 -0.80 -0.06 0.00 0.21 0.00 0.00 66.02 65.80 3kxp s SER 72 CO 0.14 -1.16 1.34 -1.81 0.41 0.00 0.00 173.24 172.16 3kxp s ASP 73 N -4.44 5.50 -0.55 2.44 1.01 -0.68 -4.64 116.67 115.31 3kxp s ASP 73 Ca 0.58 2.73 0.06 0.00 0.71 0.00 0.00 52.55 56.62 3kxp s ASP 73 Cb -0.10 -2.63 0.21 0.00 1.01 0.00 0.00 42.92 41.41 3kxp s ASP 73 CO 0.38 -1.41 0.55 0.29 0.21 0.00 0.00 175.17 175.19 3kxp n LYS 74 N -0.80 1.46 -0.81 8.23 5.02 -1.26 -1.29 118.16 128.70 3kxp n LYS 74 Ca 0.09 -3.99 -0.32 0.00 -2.02 0.00 0.00 58.31 52.07 3kxp n LYS 74 Cb 0.45 -1.91 0.14 0.00 -0.02 0.00 0.00 35.03 33.69 3kxp n LYS 74 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3kxp n PRO 75 N 1.66 -0.26 -0.09 1.97 -0.04 -1.26 -4.91 135.00 132.07 3kxp n PRO 75 Ca 0.25 -0.02 -0.06 0.00 -0.04 0.00 0.00 63.50 63.64 3kxp n PRO 75 Cb 0.44 -2.16 0.13 0.00 -0.04 0.00 0.00 33.50 31.87 3kxp n PRO 75 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3kxp h GLU 76 N -1.55 0.76 -4.95 0.54 4.81 -2.01 -3.46 114.58 108.73 3kxp h GLU 76 Ca -0.44 -0.26 -0.50 0.00 -0.13 0.00 0.00 59.36 58.04 3kxp h GLU 76 Cb 1.28 -0.06 -0.13 0.00 0.63 0.00 0.00 28.75 30.47 3kxp h GLU 76 CO 0.39 0.85 -0.51 -0.08 -0.73 0.00 0.00 179.01 178.94 3kxp s THR 77 N -4.76 0.28 0.00 0.32 -1.32 -1.26 -4.78 115.64 104.12 3kxp s THR 77 Ca -0.09 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.39 3kxp s THR 77 Cb 0.14 -2.43 0.00 0.00 -1.51 0.00 0.00 72.50 68.70 3kxp s THR 77 CO 0.82 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.84 3kxp n GLY 78 N -0.73 0.73 2.02 6.08 0.00 -1.26 -5.05 105.19 106.97 3kxp n GLY 78 Ca 0.01 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 3kxp n GLY 78 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kxp n TYR 79 N -0.63 1.80 -2.56 1.61 4.02 -1.26 -4.77 117.16 115.37 3kxp n TYR 79 Ca 0.00 -1.99 -0.23 0.00 -0.01 0.00 0.00 57.90 55.67 3kxp n TYR 79 Cb 0.23 -0.29 0.07 0.00 -0.02 0.00 0.00 39.34 39.34 3kxp n TYR 79 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 3kxp s GLU 80 N -3.37 2.14 0.15 -0.72 0.41 -1.26 -4.25 118.70 111.80 3kxp s GLU 80 Ca 0.42 -0.85 -0.17 0.00 -0.41 0.00 0.00 54.97 53.97 3kxp s GLU 80 Cb 0.38 -2.38 0.05 0.00 -1.78 0.00 0.00 34.13 30.40 3kxp s GLU 80 CO -0.01 -1.09 1.74 0.00 -0.49 0.00 0.00 175.26 175.41 3kxp h ALA 81 N -0.27 0.38 -0.89 5.21 0.00 -1.97 -2.31 119.26 119.42 3kxp h ALA 81 Ca -0.40 0.05 0.13 0.00 0.00 0.00 0.00 54.91 54.69 3kxp h ALA 81 Cb 1.29 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 19.04 3kxp h ALA 81 CO 0.48 -0.31 0.50 -0.91 0.00 0.00 0.00 179.25 179.02 3kxp h ASN 82 N 0.22 0.68 -0.13 0.00 -0.26 -1.98 0.33 115.58 114.45 3kxp h ASN 82 Ca 0.16 0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.96 3kxp h ASN 82 Cb 0.15 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.36 3kxp h ASN 82 CO -0.18 0.33 0.04 0.44 -1.06 0.00 0.00 177.43 176.99 3kxp h ASP 83 N 0.76 0.19 -0.43 5.81 3.32 -1.75 0.17 116.42 124.50 3kxp h ASP 83 Ca 0.46 -0.21 -0.06 0.00 0.02 0.00 0.00 57.03 57.24 3kxp h ASP 83 Cb 0.56 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 3kxp h ASP 83 CO -0.31 0.35 0.07 1.88 -1.72 0.00 0.00 179.24 179.51 3kxp h TYR 84 N 0.02 0.81 -0.27 4.55 -1.99 -0.89 -2.59 116.97 116.62 3kxp h TYR 84 Ca 0.04 -0.09 -0.18 0.00 2.00 0.00 0.00 58.73 60.50 3kxp h TYR 84 Cb 0.23 -0.23 -0.00 0.00 2.00 0.00 0.00 36.73 38.73 3kxp h TYR 84 CO 0.00 0.72 -0.56 0.00 -0.00 0.00 0.00 178.16 178.32 3kxp h ALA 85 N 1.33 0.50 0.00 3.88 0.00 -0.09 -3.01 119.26 121.87 3kxp h ALA 85 Ca 0.16 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 3kxp h ALA 85 Cb 0.35 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3kxp h ALA 85 CO 0.01 0.68 -0.22 -0.44 0.00 0.00 0.00 179.25 179.28 3kxp h ASP 86 N 0.62 0.00 -0.26 0.00 3.32 -0.52 -2.52 116.42 117.06 3kxp h ASP 86 Ca 0.01 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 3kxp h ASP 86 Cb 1.16 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 3kxp h ASP 86 CO 0.12 0.22 0.00 0.44 -1.72 0.00 0.00 179.24 178.30 3kxp h ASP 87 N 0.00 0.45 -0.95 6.45 3.45 -1.35 -2.02 116.42 122.45 3kxp h ASP 87 Ca -0.00 -0.31 0.02 0.00 0.43 0.00 0.00 57.03 57.17 3kxp h ASP 87 Cb 0.58 -0.12 -0.05 0.00 -0.56 0.00 0.00 39.33 39.18 3kxp h ASP 87 CO 0.03 0.65 0.63 0.40 -1.57 0.00 0.00 179.24 179.38 3kxp h ILE 88 N 0.25 1.22 -0.16 0.35 2.04 -1.34 -0.02 117.51 119.86 3kxp h ILE 88 Ca 0.07 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 3kxp h ILE 88 Cb 0.41 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 3kxp h ILE 88 CO 0.01 0.23 0.07 0.00 0.00 0.00 0.00 178.15 178.47 3kxp h ALA 89 N 1.36 0.20 -0.55 1.87 0.00 -1.31 -1.90 119.26 118.93 3kxp h ALA 89 Ca 0.36 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3kxp h ALA 89 Cb -0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3kxp h ALA 89 CO -0.09 -0.23 0.29 0.78 0.00 0.00 0.00 179.25 180.00 3kxp h GLY 90 N 0.12 0.81 1.28 0.00 0.00 -0.88 -1.43 103.07 102.97 3kxp h GLY 90 Ca 0.05 -0.36 -0.12 0.00 0.00 0.00 0.00 47.33 46.91 3kxp h GLY 90 CO -0.01 0.34 -0.21 -2.00 0.00 0.00 0.00 176.54 174.67 3kxp h LEU 91 N 0.76 0.84 -0.45 3.11 7.12 -0.74 0.57 115.31 126.52 3kxp h LEU 91 Ca 0.19 -0.30 -0.17 0.00 0.13 0.00 0.00 57.88 57.73 3kxp h LEU 91 Cb 0.04 -0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 39.94 3kxp h LEU 91 CO -0.03 1.03 -0.59 0.40 -0.13 0.00 0.00 178.44 179.12 3kxp h ILE 92 N 0.72 1.32 -0.16 4.05 2.04 -0.92 -0.84 117.51 123.72 3kxp h ILE 92 Ca 0.10 -1.85 -0.08 0.00 1.00 0.00 0.00 64.86 64.02 3kxp h ILE 92 Cb 0.74 1.82 -0.00 0.00 -0.74 0.00 0.00 36.82 38.64 3kxp h ILE 92 CO 0.06 0.58 -0.22 0.03 0.00 0.00 0.00 178.15 178.60 3kxp h ARG 93 N 0.44 0.43 -0.64 2.37 3.08 -1.12 -2.56 114.38 116.39 3kxp h ARG 93 Ca -0.00 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 59.74 3kxp h ARG 93 Cb 1.15 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.20 3kxp h ARG 93 CO 0.11 0.83 0.18 1.15 -1.07 0.00 0.00 179.97 181.17 3kxp h THR 94 N 0.07 1.25 0.00 2.04 2.02 -0.88 -2.57 112.91 114.84 3kxp h THR 94 Ca 0.02 -0.89 -0.05 0.00 0.77 0.00 0.00 66.41 66.26 3kxp h THR 94 Cb 0.78 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 3kxp h THR 94 CO 0.05 0.34 -0.23 -0.07 0.37 0.00 0.00 175.52 175.98 3kxp h LEU 95 N 0.93 0.00 -3.64 2.58 3.38 -1.17 -3.47 115.31 113.91 3kxp h LEU 95 Ca 0.20 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.70 3kxp h LEU 95 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3kxp h LEU 95 CO -0.00 0.23 -0.97 0.00 0.09 0.00 0.00 178.44 177.78 3kxp n ALA 96 N -2.43 -2.72 -2.10 1.53 0.00 -0.96 -4.91 120.51 108.91 3kxp n ALA 96 Ca -0.02 -0.32 0.01 0.00 0.00 0.00 0.00 53.44 53.11 3kxp n ALA 96 Cb 0.30 -1.44 0.01 0.00 0.00 0.00 0.00 19.45 18.31 3kxp n ALA 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kxp n ARG 97 N -3.21 0.01 0.00 0.00 1.74 -1.26 -5.13 116.66 108.81 3kxp n ARG 97 Ca -0.23 -1.23 0.00 0.00 -0.77 0.00 0.00 57.85 55.62 3kxp n ARG 97 Cb 0.64 -0.40 0.00 0.00 -1.02 0.00 0.00 32.46 31.68 3kxp n ARG 97 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kxp n GLY 98 N 0.10 0.48 3.70 -0.13 0.00 -1.26 -4.52 105.19 103.56 3kxp n GLY 98 Ca 0.01 -1.88 -0.38 0.00 0.00 0.00 0.00 46.02 43.78 3kxp n GLY 98 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3kxp n HIS 99 N 0.81 1.71 -4.30 1.61 1.44 -1.26 -4.86 115.22 110.37 3kxp n HIS 99 Ca 0.00 0.43 -0.25 0.00 -2.01 0.00 0.00 57.72 55.88 3kxp n HIS 99 Cb 0.00 -2.25 -0.09 0.00 0.12 0.00 0.00 29.99 27.77 3kxp n HIS 99 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3kxp s ALA 100 N -1.40 3.01 -0.16 1.59 0.00 -0.23 -4.42 121.76 120.15 3kxp s ALA 100 Ca 0.79 -1.55 -0.20 0.00 0.00 0.00 0.00 51.96 51.00 3kxp s ALA 100 Cb -0.40 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 21.96 3kxp s ALA 100 CO 0.44 0.39 0.57 0.42 0.00 0.00 0.00 175.76 177.58 3kxp s ILE 101 N -1.96 5.09 -0.37 0.00 1.01 0.44 -1.29 121.20 124.12 3kxp s ILE 101 Ca 0.27 1.09 -0.13 0.00 0.00 0.00 0.00 60.65 61.89 3kxp s ILE 101 Cb -0.08 -3.89 0.01 0.00 0.01 0.00 0.00 42.46 38.51 3kxp s ILE 101 CO 0.17 0.20 0.25 -0.76 0.00 0.00 0.00 174.94 174.80 3kxp s LEU 102 N 1.36 4.77 -0.36 2.97 1.02 0.42 -0.47 118.68 128.39 3kxp s LEU 102 Ca 0.28 -0.75 -0.01 0.00 0.02 0.00 0.00 54.13 53.67 3kxp s LEU 102 Cb -0.16 -2.11 0.09 0.00 0.02 0.00 0.00 46.19 44.03 3kxp s LEU 102 CO 0.11 -0.35 0.10 0.54 0.02 0.00 0.00 176.35 176.77 3kxp s VAL 103 N 1.66 2.95 0.09 -1.59 0.11 -0.20 0.12 120.40 123.55 3kxp s VAL 103 Ca 0.05 -1.92 0.09 0.00 -2.93 0.00 0.00 61.98 57.28 3kxp s VAL 103 Cb -0.18 -2.95 -0.03 0.00 -1.53 0.00 0.00 36.38 31.68 3kxp s VAL 103 CO 0.09 -0.49 -0.24 -0.83 -3.33 0.00 0.00 175.10 170.30 3kxp s GLY 104 N 1.44 1.39 -0.20 6.54 0.00 -0.45 -1.95 107.32 114.09 3kxp s GLY 104 Ca 0.04 -1.31 -0.04 0.00 0.00 0.00 0.00 44.72 43.42 3kxp s GLY 104 CO -0.04 -1.26 -0.04 -1.58 0.00 0.00 0.00 173.10 170.18 3kxp s HIS 105 N -0.99 2.97 0.00 1.90 2.46 0.26 -0.59 115.29 121.31 3kxp s HIS 105 Ca 0.11 -0.69 0.00 0.00 0.47 0.00 0.00 55.06 54.94 3kxp s HIS 105 Cb -0.10 -2.06 0.00 0.00 -0.13 0.00 0.00 32.58 30.29 3kxp s HIS 105 CO 0.04 -0.37 0.00 0.45 -2.47 0.00 0.00 174.74 172.39 3kxp n SER 106 N 4.39 0.00 -0.29 9.88 2.88 0.08 -0.34 113.62 130.22 3kxp n SER 106 Ca -0.18 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.44 3kxp n SER 106 Cb 0.51 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.17 3kxp n SER 106 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3kxp h LEU 107 N 0.00 -0.42 -1.10 2.46 5.85 -1.91 0.52 115.31 120.72 3kxp h LEU 107 Ca 0.00 0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 3kxp h LEU 107 Cb 0.00 0.40 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 3kxp h LEU 107 CO 0.00 -0.23 0.30 1.23 -0.34 0.00 0.00 178.44 179.39 3kxp h GLY 108 N 0.08 1.00 0.80 3.75 0.00 -0.18 0.70 103.07 109.22 3kxp h GLY 108 Ca 0.47 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 3kxp h GLY 108 CO -0.76 0.46 -0.16 0.00 0.00 0.00 0.00 176.54 176.09 3kxp h ALA 109 N 1.40 0.27 -0.53 3.60 0.00 -0.17 0.00 119.26 123.83 3kxp h ALA 109 Ca 0.22 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 54.86 3kxp h ALA 109 Cb 0.12 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 3kxp h ALA 109 CO -0.03 0.16 0.25 -0.09 0.00 0.00 0.00 179.25 179.55 3kxp h ARG 110 N 0.10 0.47 -0.74 0.00 1.12 -0.20 -1.00 114.38 114.13 3kxp h ARG 110 Ca 0.03 -0.03 -0.06 0.00 -1.11 0.00 0.00 59.98 58.81 3kxp h ARG 110 Cb 0.68 -0.10 -0.03 0.00 -0.01 0.00 0.00 29.97 30.51 3kxp h ARG 110 CO 0.04 0.31 0.22 -0.91 -3.11 0.00 0.00 179.97 176.52 3kxp h ASN 111 N 0.48 1.09 -0.39 -3.80 2.35 -0.74 -2.64 115.58 111.92 3kxp h ASN 111 Ca 0.24 -0.21 -0.08 0.00 -0.55 0.00 0.00 56.30 55.70 3kxp h ASN 111 Cb 0.19 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3kxp h ASN 111 CO -0.19 1.01 -0.05 0.28 -1.65 0.00 0.00 177.43 176.84 3kxp h SER 112 N 1.11 0.72 -0.50 5.81 0.02 -0.12 -0.65 113.55 119.94 3kxp h SER 112 Ca 0.24 -0.34 -0.10 0.00 -0.84 0.00 0.00 61.79 60.75 3kxp h SER 112 Cb 0.32 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 3kxp h SER 112 CO -0.01 0.89 -0.07 0.58 -1.14 0.00 0.00 176.83 177.08 3kxp h VAL 113 N 0.54 1.27 -0.42 2.27 2.07 -1.24 -0.18 116.25 120.57 3kxp h VAL 113 Ca 0.11 -1.19 0.06 0.00 0.82 0.00 0.00 66.70 66.49 3kxp h VAL 113 Cb 0.55 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 3kxp h VAL 113 CO 0.03 0.42 0.11 0.74 0.02 0.00 0.00 177.57 178.89 3kxp h THR 114 N 0.79 0.83 -0.51 2.57 2.02 -1.35 -0.23 112.91 117.03 3kxp h THR 114 Ca 0.13 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 3kxp h THR 114 Cb 0.62 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 3kxp h THR 114 CO 0.04 0.05 0.20 0.00 0.37 0.00 0.00 175.52 176.17 3kxp h ALA 115 N 1.29 0.66 -0.53 6.16 0.00 -0.83 -2.13 119.26 123.90 3kxp h ALA 115 Ca 0.20 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3kxp h ALA 115 Cb 0.22 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3kxp h ALA 115 CO -0.23 0.28 0.30 0.00 0.00 0.00 0.00 179.25 179.61 3kxp h ALA 116 N 1.04 0.68 -0.38 0.00 0.00 -0.33 0.72 119.26 120.99 3kxp h ALA 116 Ca 0.17 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3kxp h ALA 116 Cb 0.21 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3kxp h ALA 116 CO -0.01 -0.00 0.02 0.00 0.00 0.00 0.00 179.25 179.26 3kxp h ALA 117 N 1.25 1.34 0.03 0.00 0.00 -0.87 -2.89 119.26 118.13 3kxp h ALA 117 Ca 0.22 -0.20 -0.29 0.00 0.00 0.00 0.00 54.91 54.64 3kxp h ALA 117 Cb 0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3kxp h ALA 117 CO -0.11 0.46 -1.63 -0.22 0.00 0.00 0.00 179.25 177.75 3kxp h LYS 118 N 0.56 0.06 -2.13 0.00 3.64 -0.73 -3.42 116.57 114.56 3kxp h LYS 118 Ca 0.12 -0.11 -0.56 0.00 -1.27 0.00 0.00 60.65 58.83 3kxp h LYS 118 Cb 0.32 0.04 -0.41 0.00 -0.41 0.00 0.00 32.23 31.77 3kxp h LYS 118 CO 0.01 0.73 -0.85 0.66 -2.27 0.00 0.00 179.45 177.72 3kxp n TYR 119 N -3.19 2.11 -0.31 1.91 4.02 0.24 -4.97 117.16 116.98 3kxp n TYR 119 Ca -0.16 -3.91 0.13 0.00 -0.01 0.00 0.00 57.90 53.95 3kxp n TYR 119 Cb 1.04 -0.46 0.31 0.00 -0.02 0.00 0.00 39.34 40.20 3kxp n TYR 119 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3kxp h PRO 120 N 3.56 0.40 0.00 -0.72 0.13 -1.72 -1.88 132.00 131.77 3kxp h PRO 120 Ca 0.13 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.20 3kxp h PRO 120 Cb 0.73 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 3kxp h PRO 120 CO 0.68 0.26 -0.19 -0.44 -0.23 0.00 0.00 178.00 178.08 3kxp h ASP 121 N 0.41 0.00 1.41 1.44 3.45 -1.93 -3.02 116.42 118.17 3kxp h ASP 121 Ca 0.56 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.02 3kxp h ASP 121 Cb 1.06 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.83 3kxp h ASP 121 CO -0.52 0.19 -0.20 -0.07 -1.57 0.00 0.00 179.24 177.07 3kxp h LEU 122 N 0.00 0.00 -7.88 1.55 3.38 -1.75 -3.41 115.31 107.20 3kxp h LEU 122 Ca -0.00 -0.05 -0.57 0.00 0.09 0.00 0.00 57.88 57.35 3kxp h LEU 122 Cb 0.68 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.08 3kxp h LEU 122 CO 0.03 0.02 -0.82 0.54 0.09 0.00 0.00 178.44 178.30 3kxp s VAL 123 N -3.15 1.35 0.00 1.22 0.11 -1.14 -1.07 120.40 117.72 3kxp s VAL 123 Ca 0.08 -0.52 -0.25 0.00 -2.93 0.00 0.00 61.98 58.36 3kxp s VAL 123 Cb 0.11 -1.27 -0.19 0.00 -1.53 0.00 0.00 36.38 33.50 3kxp s VAL 123 CO 0.65 0.42 1.36 -0.09 -3.33 0.00 0.00 175.10 174.10 3kxp h ARG 124 N 7.77 -0.03 -2.98 1.54 2.43 -1.45 -3.46 114.38 118.20 3kxp h ARG 124 Ca -0.33 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 58.90 3kxp h ARG 124 Cb 1.15 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.67 3kxp h ARG 124 CO 0.48 0.34 0.25 -1.54 -1.51 0.00 0.00 179.97 177.98 3kxp s SER 125 N -5.54 -0.21 -0.01 -3.80 1.04 -1.25 -4.29 113.70 99.63 3kxp s SER 125 Ca -0.15 -0.69 0.01 0.00 0.48 0.00 0.00 55.95 55.60 3kxp s SER 125 Cb 0.03 0.74 0.01 0.00 0.10 0.00 0.00 66.02 66.89 3kxp s SER 125 CO 0.66 -1.39 -0.02 -0.69 0.98 0.00 0.00 173.24 172.78 3kxp s VAL 126 N -3.64 0.22 -0.39 5.02 1.01 -0.33 -0.44 120.40 121.85 3kxp s VAL 126 Ca 0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 3kxp s VAL 126 Cb -0.06 -0.23 0.10 0.00 0.00 0.00 0.00 36.38 36.19 3kxp s VAL 126 CO 0.08 0.09 0.18 -0.69 0.00 0.00 0.00 175.10 174.76 3kxp s VAL 127 N 0.28 3.34 -0.58 2.92 1.01 0.34 -0.63 120.40 127.07 3kxp s VAL 127 Ca -0.03 -1.89 -0.19 0.00 0.00 0.00 0.00 61.98 59.88 3kxp s VAL 127 Cb -0.05 -3.21 0.10 0.00 0.00 0.00 0.00 36.38 33.21 3kxp s VAL 127 CO -0.01 -0.58 0.70 0.00 0.00 0.00 0.00 175.10 175.21 3kxp s ALA 128 N 1.19 3.41 -0.41 5.51 0.00 -0.19 -1.34 121.76 129.92 3kxp s ALA 128 Ca 0.06 -2.18 -0.23 0.00 0.00 0.00 0.00 51.96 49.61 3kxp s ALA 128 Cb -0.22 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.40 3kxp s ALA 128 CO -0.03 -2.32 0.77 0.42 0.00 0.00 0.00 175.76 174.60 3kxp s ILE 129 N 2.69 4.69 -1.25 0.00 1.01 0.24 -1.77 121.20 126.82 3kxp s ILE 129 Ca 0.12 0.59 -0.04 0.00 0.00 0.00 0.00 60.65 61.33 3kxp s ILE 129 Cb -0.24 -4.27 -0.01 0.00 0.01 0.00 0.00 42.46 37.96 3kxp s ILE 129 CO 0.07 -0.59 0.75 -0.67 0.00 0.00 0.00 174.94 174.49 3kxp n ASP 130 N 6.57 -2.34 -3.13 3.58 2.03 0.21 -0.74 116.55 122.73 3kxp n ASP 130 Ca 0.02 -0.83 0.02 0.00 0.52 0.00 0.00 54.79 54.53 3kxp n ASP 130 Cb 0.48 -4.14 -0.00 0.00 -0.72 0.00 0.00 41.12 36.73 3kxp n ASP 130 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3kxp s PHE 131 N -3.60 -1.49 0.53 -0.67 2.19 -1.26 -4.25 117.98 109.44 3kxp s PHE 131 Ca 0.11 0.43 0.04 0.00 0.33 0.00 0.00 56.93 57.85 3kxp s PHE 131 Cb -0.03 0.27 0.04 0.00 -1.31 0.00 0.00 43.02 41.99 3kxp s PHE 131 CO 0.81 -0.96 0.37 0.25 1.83 0.00 0.00 175.22 177.52 3kxp n THR 132 N 4.59 0.00 -1.86 0.12 -2.24 -1.26 -4.54 114.28 109.09 3kxp n THR 132 Ca 0.09 -2.14 -0.29 0.00 -2.27 0.00 0.00 64.05 59.43 3kxp n THR 132 Cb 0.57 0.00 0.21 0.00 -2.10 0.00 0.00 70.33 69.01 3kxp n THR 132 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3kxp n PRO 133 N -1.72 -1.41 -1.23 -0.78 -0.02 -1.26 -4.29 135.00 124.29 3kxp n PRO 133 Ca -0.03 -2.02 -0.08 0.00 -2.02 0.00 0.00 63.50 59.34 3kxp n PRO 133 Cb 0.61 -1.38 -0.03 0.00 -0.02 0.00 0.00 33.50 32.68 3kxp n PRO 133 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3kxp n TYR 134 N -3.89 0.00 -1.95 6.00 4.02 -1.26 -4.81 117.16 115.27 3kxp n TYR 134 Ca 0.16 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.63 3kxp n TYR 134 Cb 0.57 -2.05 -0.03 0.00 -0.02 0.00 0.00 39.34 37.82 3kxp n TYR 134 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3kxp s ILE 135 N -1.95 3.06 0.46 -0.72 1.01 -1.26 -4.68 121.20 117.12 3kxp s ILE 135 Ca 0.00 0.54 -0.24 0.00 0.00 0.00 0.00 60.65 60.95 3kxp s ILE 135 Cb 0.00 -3.34 -0.07 0.00 0.01 0.00 0.00 42.46 39.05 3kxp s ILE 135 CO 0.00 0.00 1.27 -1.83 0.00 0.00 0.00 174.94 174.39 3kxp s GLU 136 N 2.48 3.66 0.25 2.79 1.03 -1.26 -4.88 118.70 122.76 3kxp s GLU 136 Ca 0.73 2.06 -0.06 0.00 0.03 0.00 0.00 54.97 57.72 3kxp s GLU 136 Cb -0.39 -2.50 0.45 0.00 -0.80 0.00 0.00 34.13 30.89 3kxp s GLU 136 CO 0.32 -0.71 1.64 1.15 -1.33 0.00 0.00 175.26 176.32 3kxp h THR 137 N 1.98 0.36 -0.45 1.83 2.02 -2.00 -0.99 112.91 115.66 3kxp h THR 137 Ca -0.50 -0.04 0.03 0.00 0.77 0.00 0.00 66.41 66.66 3kxp h THR 137 Cb 1.26 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 3kxp h THR 137 CO 0.60 0.02 0.30 -0.33 0.37 0.00 0.00 175.52 176.48 3kxp h GLU 138 N 0.13 0.49 -0.30 6.66 3.07 -1.99 -0.48 114.58 122.16 3kxp h GLU 138 Ca 0.42 -0.03 -0.17 0.00 -0.50 0.00 0.00 59.36 59.08 3kxp h GLU 138 Cb 0.74 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.54 3kxp h GLU 138 CO -0.64 0.33 -0.48 0.00 -1.40 0.00 0.00 179.01 176.82 3kxp h ALA 139 N 1.74 0.58 0.00 3.43 0.00 -1.52 -2.07 119.26 121.43 3kxp h ALA 139 Ca 0.18 -0.49 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 3kxp h ALA 139 Cb 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3kxp h ALA 139 CO -0.04 0.68 -0.41 -0.07 0.00 0.00 0.00 179.25 179.40 3kxp h LEU 140 N 0.64 0.00 -0.14 0.00 3.38 -1.10 -2.43 115.31 115.65 3kxp h LEU 140 Ca 0.03 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3kxp h LEU 140 Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 3kxp h LEU 140 CO 0.11 0.41 -0.17 0.44 0.09 0.00 0.00 178.44 179.32 3kxp h ASP 141 N 0.00 0.39 -0.76 -0.43 3.32 -0.90 -1.94 116.42 116.09 3kxp h ASP 141 Ca -0.00 -0.50 -0.01 0.00 0.02 0.00 0.00 57.03 56.54 3kxp h ASP 141 Cb 0.90 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.30 3kxp h ASP 141 CO 0.05 0.81 0.43 0.00 -1.72 0.00 0.00 179.24 178.82 3kxp h ALA 142 N 0.59 0.98 -0.08 3.45 0.00 -1.25 -0.58 119.26 122.36 3kxp h ALA 142 Ca 0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3kxp h ALA 142 Cb 0.71 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3kxp h ALA 142 CO 0.04 0.48 0.04 1.25 0.00 0.00 0.00 179.25 181.06 3kxp h LEU 143 N 1.05 0.11 -0.76 0.00 6.46 -1.43 -1.82 115.31 118.92 3kxp h LEU 143 Ca 0.27 -0.12 0.06 0.00 -0.12 0.00 0.00 57.88 57.98 3kxp h LEU 143 Cb 0.01 -0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 39.85 3kxp h LEU 143 CO -0.05 0.20 0.45 -0.08 -0.62 0.00 0.00 178.44 178.34 3kxp h GLU 144 N 0.02 0.79 -0.47 1.25 4.81 -1.00 -0.49 114.58 119.49 3kxp h GLU 144 Ca 0.03 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3kxp h GLU 144 Cb 0.11 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3kxp h GLU 144 CO -0.00 0.52 0.24 0.00 -0.73 0.00 0.00 179.01 179.04 3kxp h ALA 145 N 1.38 0.60 -0.50 2.92 0.00 -0.88 -2.35 119.26 120.43 3kxp h ALA 145 Ca 0.34 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 3kxp h ALA 145 Cb 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3kxp h ALA 145 CO -0.18 0.15 -0.08 0.00 0.00 0.00 0.00 179.25 179.14 3kxp h ARG 146 N 0.62 0.94 -0.03 0.00 3.08 -0.79 -2.53 114.38 115.66 3kxp h ARG 146 Ca 0.16 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 59.87 3kxp h ARG 146 Cb 0.09 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 3kxp h ARG 146 CO -0.02 1.00 0.02 -0.39 -1.07 0.00 0.00 179.97 179.50 3kxp h VAL 147 N 0.80 1.11 -0.02 2.04 -1.51 -0.94 -2.69 116.25 115.03 3kxp h VAL 147 Ca 0.13 -0.31 -0.05 0.00 -1.23 0.00 0.00 66.70 65.23 3kxp h VAL 147 Cb 0.63 1.26 -0.01 0.00 -2.13 0.00 0.00 31.29 31.04 3kxp h VAL 147 CO 0.04 0.09 -0.25 0.78 -1.23 0.00 0.00 177.57 177.00 3kxp h ASN 148 N -0.07 0.03 0.72 4.19 2.35 -1.46 -1.63 115.58 119.71 3kxp h ASN 148 Ca 0.01 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3kxp h ASN 148 Cb 0.13 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3kxp h ASN 148 CO -0.00 0.28 0.00 0.00 -1.65 0.00 0.00 177.43 176.06 3kxp n ALA 149 N -2.49 2.07 0.24 -0.83 0.00 -0.95 -3.04 120.51 115.51 3kxp n ALA 149 Ca -0.02 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.46 3kxp n ALA 149 Cb 0.31 -1.37 0.27 0.00 0.00 0.00 0.00 19.45 18.65 3kxp n ALA 149 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3kxp h GLY 150 N 3.90 0.00 -7.23 0.00 0.00 -0.97 -3.41 103.07 95.36 3kxp h GLY 150 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 3kxp h GLY 150 CO 0.00 0.00 1.11 -0.45 0.00 0.00 0.00 176.54 177.20 3kxp s SER 151 N -6.06 5.75 0.29 0.19 0.15 -1.17 -4.86 113.70 107.99 3kxp s SER 151 Ca 0.06 -0.81 -0.15 0.00 0.70 0.00 0.00 55.95 55.75 3kxp s SER 151 Cb 0.06 -2.56 0.02 0.00 -1.71 0.00 0.00 66.02 61.82 3kxp s SER 151 CO 0.64 -2.17 0.61 0.00 1.20 0.00 0.00 173.24 173.53 3kxp s GLN 152 N 6.16 1.80 -0.05 5.44 -2.07 -1.26 -5.10 119.66 124.57 3kxp s GLN 152 Ca 0.58 -1.27 -0.15 0.00 -1.82 0.00 0.00 55.36 52.70 3kxp s GLN 152 Cb -0.05 0.54 -0.05 0.00 -1.09 0.00 0.00 33.01 32.36 3kxp s GLN 152 CO -0.00 -0.79 0.40 -1.17 -1.32 0.00 0.00 175.29 172.41 3kxp s LEU 153 N -3.02 4.40 -0.03 2.60 2.96 -1.26 -4.46 118.68 119.87 3kxp s LEU 153 Ca 0.19 0.86 0.07 0.00 -0.22 0.00 0.00 54.13 55.03 3kxp s LEU 153 Cb -0.03 -2.56 -0.02 0.00 0.50 0.00 0.00 46.19 44.08 3kxp s LEU 153 CO 0.10 0.24 -0.26 -0.36 -1.32 0.00 0.00 176.35 174.75 3kxp s PHE 154 N -0.54 2.37 0.13 5.38 0.40 0.29 -4.97 117.98 121.04 3kxp s PHE 154 Ca 0.23 -0.52 -0.27 0.00 -0.60 0.00 0.00 56.93 55.76 3kxp s PHE 154 Cb -0.16 -1.53 -0.05 0.00 0.51 0.00 0.00 43.02 41.79 3kxp s PHE 154 CO 0.11 -0.09 1.61 0.93 0.70 0.00 0.00 175.22 178.48 3kxp h GLU 155 N 5.67 -0.45 0.00 0.44 5.08 -1.87 0.82 114.58 124.27 3kxp h GLU 155 Ca -0.40 0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 57.94 3kxp h GLU 155 Cb 1.14 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 3kxp h GLU 155 CO 0.47 -0.30 0.00 -0.40 -1.00 0.00 0.00 179.01 177.78 3kxp n ASP 156 N -5.42 -0.48 -0.05 1.42 5.75 -1.26 -4.28 116.55 112.23 3kxp n ASP 156 Ca -0.05 -1.51 0.01 0.00 -0.01 0.00 0.00 54.79 53.23 3kxp n ASP 156 Cb 0.34 0.85 0.30 0.00 -1.03 0.00 0.00 41.12 41.58 3kxp n ASP 156 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 3kxp h ILE 157 N 1.28 1.18 -0.70 2.12 6.09 -1.97 -2.27 117.51 123.24 3kxp h ILE 157 Ca -0.08 -0.57 -0.04 0.00 -1.37 0.00 0.00 64.86 62.79 3kxp h ILE 157 Cb 0.34 0.66 -0.03 0.00 0.47 0.00 0.00 36.82 38.26 3kxp h ILE 157 CO 0.11 0.22 0.29 0.11 -3.07 0.00 0.00 178.15 175.81 3kxp h LYS 158 N 0.64 1.04 -0.53 2.19 6.56 -1.99 0.20 116.57 124.69 3kxp h LYS 158 Ca 0.15 -0.18 -0.08 0.00 -1.06 0.00 0.00 60.65 59.48 3kxp h LYS 158 Cb 0.16 -0.17 -0.02 0.00 -0.57 0.00 0.00 32.23 31.62 3kxp h LYS 158 CO -0.01 0.86 0.02 0.00 -2.06 0.00 0.00 179.45 178.25 3kxp h ALA 159 N 1.14 1.04 -0.33 3.86 0.00 -1.87 -1.65 119.26 121.43 3kxp h ALA 159 Ca 0.24 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3kxp h ALA 159 Cb 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3kxp h ALA 159 CO -0.02 0.60 0.12 0.28 0.00 0.00 0.00 179.25 180.23 3kxp h VAL 160 N 0.82 1.20 -0.81 0.00 2.07 -0.83 -1.41 116.25 117.29 3kxp h VAL 160 Ca 0.16 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 3kxp h VAL 160 Cb 0.46 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 3kxp h VAL 160 CO 0.02 0.22 0.44 -0.33 0.02 0.00 0.00 177.57 177.94 3kxp h GLU 161 N 0.39 1.14 -0.13 1.57 5.08 -0.73 -0.48 114.58 121.41 3kxp h GLU 161 Ca 0.11 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3kxp h GLU 161 Cb 0.22 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3kxp h GLU 161 CO -0.01 0.84 0.05 0.00 -1.00 0.00 0.00 179.01 178.89 3kxp h ALA 162 N 1.23 0.17 0.01 3.43 0.00 -1.16 -1.25 119.26 121.70 3kxp h ALA 162 Ca 0.29 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3kxp h ALA 162 Cb 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3kxp h ALA 162 CO -0.05 -0.23 -0.07 -0.92 0.00 0.00 0.00 179.25 177.98 3kxp h TYR 163 N 0.05 -0.18 -0.92 0.00 3.20 -0.96 -1.58 116.97 116.58 3kxp h TYR 163 Ca 0.04 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 3kxp h TYR 163 Cb 0.19 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 3kxp h TYR 163 CO -0.01 -0.11 0.54 -0.07 -1.64 0.00 0.00 178.16 176.87 3kxp h LEU 164 N -0.13 1.12 -0.85 2.82 3.38 -1.06 -1.34 115.31 119.24 3kxp h LEU 164 Ca 0.02 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3kxp h LEU 164 Cb 0.16 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3kxp h LEU 164 CO -0.07 0.87 0.43 0.00 0.09 0.00 0.00 178.44 179.77 3kxp h ALA 165 N 1.30 1.10 -0.03 1.53 0.00 -0.97 0.46 119.26 122.64 3kxp h ALA 165 Ca 0.33 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3kxp h ALA 165 Cb -0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3kxp h ALA 165 CO -0.06 0.64 -0.51 0.78 0.00 0.00 0.00 179.25 180.10 3kxp h GLY 166 N 1.20 0.08 2.00 0.00 0.00 -0.87 -2.33 103.07 103.16 3kxp h GLY 166 Ca 0.30 -0.09 -0.13 0.00 0.00 0.00 0.00 47.33 47.41 3kxp h GLY 166 CO -0.04 0.08 -0.62 -0.09 0.00 0.00 0.00 176.54 175.86 3kxp h ARG 167 N 0.06 0.00 -2.06 4.80 2.43 -0.68 -3.37 114.38 115.55 3kxp h ARG 167 Ca -0.00 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.61 3kxp h ARG 167 Cb 0.92 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 30.07 3kxp h ARG 167 CO 0.07 0.62 -0.96 0.66 -1.51 0.00 0.00 179.97 178.86 3kxp n TYR 168 N -3.27 0.98 -0.24 2.20 4.02 0.10 -4.99 117.16 115.96 3kxp n TYR 168 Ca 0.01 -3.77 0.27 0.00 -0.01 0.00 0.00 57.90 54.41 3kxp n TYR 168 Cb 0.78 -0.42 0.66 0.00 -0.02 0.00 0.00 39.34 40.34 3kxp n TYR 168 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3kxp h PRO 169 N 3.88 0.13 0.00 -0.72 0.13 -1.60 -2.15 132.00 131.68 3kxp h PRO 169 Ca 0.11 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3kxp h PRO 169 Cb 0.81 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3kxp h PRO 169 CO 0.58 0.09 -0.40 -0.91 -0.23 0.00 0.00 178.00 177.13 3kxp h ASN 170 N 0.14 0.00 -3.00 1.44 2.35 -1.94 -3.46 115.58 111.11 3kxp h ASN 170 Ca 0.49 -0.08 -0.54 0.00 -0.55 0.00 0.00 56.30 55.62 3kxp h ASN 170 Cb 1.69 0.00 0.01 0.00 0.05 0.00 0.00 38.32 40.06 3kxp h ASN 170 CO -0.08 0.04 0.74 -0.63 -1.65 0.00 0.00 177.43 175.85 3kxp s ILE 171 N -3.19 3.69 0.55 2.81 1.01 -0.81 -4.81 121.20 120.44 3kxp s ILE 171 Ca 0.06 1.15 -0.21 0.00 0.00 0.00 0.00 60.65 61.65 3kxp s ILE 171 Cb 0.11 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 3kxp s ILE 171 CO 0.69 0.04 1.18 -2.65 0.00 0.00 0.00 174.94 174.20 3kxp n PRO 172 N 4.69 1.37 -0.26 2.79 -0.02 -1.26 -4.73 135.00 137.57 3kxp n PRO 172 Ca 0.12 0.51 0.05 0.00 -2.02 0.00 0.00 63.50 62.16 3kxp n PRO 172 Cb 0.44 -2.37 0.19 0.00 -0.02 0.00 0.00 33.50 31.74 3kxp n PRO 172 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kxp h ALA 173 N 1.11 1.09 -0.51 3.55 0.00 -1.97 -0.61 119.26 121.91 3kxp h ALA 173 Ca -0.49 0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.54 3kxp h ALA 173 Cb 1.33 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 3kxp h ALA 173 CO 0.55 -0.17 0.34 0.38 0.00 0.00 0.00 179.25 180.35 3kxp h ASP 174 N 0.49 0.54 0.56 0.00 3.04 -2.00 -0.11 116.42 118.94 3kxp h ASP 174 Ca 0.41 -0.01 -0.21 0.00 -3.24 0.00 0.00 57.03 53.98 3kxp h ASP 174 Cb 0.60 -0.13 -0.01 0.00 -1.04 0.00 0.00 39.33 38.76 3kxp h ASP 174 CO -0.38 0.38 -0.95 0.00 -2.04 0.00 0.00 179.24 176.25 3kxp h ALA 175 N 1.69 0.42 -0.29 4.15 0.00 -1.51 -2.74 119.26 120.98 3kxp h ALA 175 Ca 0.20 -0.75 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 3kxp h ALA 175 Cb 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3kxp h ALA 175 CO -0.05 0.92 0.11 0.82 0.00 0.00 0.00 179.25 181.05 3kxp h ILE 176 N 0.13 1.18 -0.55 0.00 1.08 -0.38 -2.17 117.51 116.80 3kxp h ILE 176 Ca -0.06 -0.55 0.06 0.00 -0.39 0.00 0.00 64.86 63.91 3kxp h ILE 176 Cb 1.60 1.01 -0.05 0.00 -3.07 0.00 0.00 36.82 36.30 3kxp h ILE 176 CO 0.15 0.19 0.26 -0.09 -0.69 0.00 0.00 178.15 177.97 3kxp h ARG 177 N 0.31 0.48 -0.74 2.37 2.43 -1.02 -0.03 114.38 118.18 3kxp h ARG 177 Ca 0.10 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.32 3kxp h ARG 177 Cb 0.19 -0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.56 3kxp h ARG 177 CO -0.01 0.32 0.40 0.82 -1.51 0.00 0.00 179.97 179.99 3kxp h ILE 178 N 0.50 0.91 -0.60 1.20 2.04 -1.16 0.25 117.51 120.65 3kxp h ILE 178 Ca 0.25 -0.24 -0.08 0.00 1.00 0.00 0.00 64.86 65.79 3kxp h ILE 178 Cb 0.20 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 3kxp h ILE 178 CO -0.20 0.13 0.04 0.03 0.00 0.00 0.00 178.15 178.15 3kxp h ARG 179 N 0.70 1.03 -0.62 2.37 3.08 -0.69 -1.85 114.38 118.41 3kxp h ARG 179 Ca 0.35 -0.31 -0.09 0.00 0.07 0.00 0.00 59.98 60.01 3kxp h ARG 179 Cb 0.30 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3kxp h ARG 179 CO -0.23 0.99 0.04 0.00 -1.07 0.00 0.00 179.97 179.71 3kxp h ALA 180 N 1.00 0.83 0.00 0.04 0.00 0.20 -1.13 119.26 120.20 3kxp h ALA 180 Ca 0.18 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 3kxp h ALA 180 Cb 0.50 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3kxp h ALA 180 CO 0.02 0.64 -0.52 0.93 0.00 0.00 0.00 179.25 180.32 3kxp h GLU 181 N 0.97 0.00 0.00 0.00 5.08 -0.47 -3.37 114.58 116.79 3kxp h GLU 181 Ca 0.18 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 3kxp h GLU 181 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3kxp h GLU 181 CO 0.02 0.52 -1.91 -1.13 -1.00 0.00 0.00 179.01 175.51 3kxp n SER 182 N -3.30 0.63 -0.38 1.42 3.41 -0.70 -4.61 113.62 110.09 3kxp n SER 182 Ca 0.01 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.75 3kxp n SER 182 Cb 0.71 1.76 0.29 0.00 -0.26 0.00 0.00 64.21 66.71 3kxp n SER 182 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kxp n GLY 183 N 1.48 -0.27 3.55 5.00 0.00 -0.43 -4.96 105.19 109.56 3kxp n GLY 183 Ca -0.07 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 3kxp n GLY 183 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kxp s TYR 184 N -2.40 2.44 -0.00 1.61 1.51 -1.26 -0.75 117.35 118.51 3kxp s TYR 184 Ca 0.25 -0.37 0.05 0.00 -1.01 0.00 0.00 57.07 55.99 3kxp s TYR 184 Cb 0.19 -1.23 -0.01 0.00 -0.11 0.00 0.00 41.96 40.80 3kxp s TYR 184 CO 0.49 0.62 -0.16 1.14 -1.11 0.00 0.00 175.55 176.53 3kxp s GLN 185 N -3.61 1.29 0.05 -0.62 -2.07 0.78 -4.76 119.66 110.72 3kxp s GLN 185 Ca 0.32 -0.63 -0.31 0.00 -1.82 0.00 0.00 55.36 52.92 3kxp s GLN 185 Cb -0.02 -1.27 -0.05 0.00 -1.09 0.00 0.00 33.01 30.57 3kxp s GLN 185 CO 0.17 0.34 1.21 -2.14 -1.32 0.00 0.00 175.29 173.56 3kxp s PRO 186 N -0.53 4.41 0.29 9.60 0.02 -1.26 -1.93 135.00 145.61 3kxp s PRO 186 Ca 0.06 1.78 0.05 0.00 0.02 0.00 0.00 61.00 62.91 3kxp s PRO 186 Cb -0.07 -3.37 -0.03 0.00 0.02 0.00 0.00 34.50 31.05 3kxp s PRO 186 CO -0.00 -0.29 0.23 0.14 -0.33 0.00 0.00 177.00 176.74 3kxp s VAL 187 N 1.21 0.01 0.03 3.83 -7.23 0.13 -4.96 120.40 113.42 3kxp s VAL 187 Ca 0.59 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.46 3kxp s VAL 187 Cb -0.29 -2.50 -0.08 0.00 0.56 0.00 0.00 36.38 34.07 3kxp s VAL 187 CO 0.28 0.00 1.73 -1.81 -0.31 0.00 0.00 175.10 175.00 3kxp s ASP 188 N -3.31 6.58 0.00 4.85 1.11 -1.26 -1.18 116.67 123.46 3kxp s ASP 188 Ca 0.40 2.47 0.00 0.00 0.18 0.00 0.00 52.55 55.60 3kxp s ASP 188 Cb 0.04 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.48 3kxp s ASP 188 CO 0.23 -0.94 0.00 0.61 1.18 0.00 0.00 175.17 176.24 3kxp n GLY 189 N 4.17 0.22 0.00 0.21 0.00 -1.26 -4.90 105.19 103.62 3kxp n GLY 189 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3kxp n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kxp n GLY 190 N -1.73 0.57 3.35 -0.02 0.00 -0.32 -4.39 105.19 102.65 3kxp n GLY 190 Ca 0.00 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 3kxp n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kxp s LEU 191 N 0.00 2.21 0.04 0.99 1.02 0.28 0.17 118.68 123.40 3kxp s LEU 191 Ca 0.00 -0.63 -0.01 0.00 0.02 0.00 0.00 54.13 53.50 3kxp s LEU 191 Cb 0.00 -1.24 -0.03 0.00 0.02 0.00 0.00 46.19 44.94 3kxp s LEU 191 CO 0.00 0.23 -0.01 -0.13 0.02 0.00 0.00 176.35 176.46 3kxp s ARG 192 N -1.49 0.49 0.67 1.70 0.52 -0.81 -0.55 118.95 119.48 3kxp s ARG 192 Ca 0.12 -0.91 -0.17 0.00 -0.52 0.00 0.00 55.73 54.25 3kxp s ARG 192 Cb -0.10 0.17 0.00 0.00 0.52 0.00 0.00 34.95 35.55 3kxp s ARG 192 CO 0.03 -0.09 1.26 -2.14 0.02 0.00 0.00 175.30 174.38 3kxp s PRO 193 N -2.75 2.46 0.05 3.54 0.02 -1.26 -0.16 135.00 136.90 3kxp s PRO 193 Ca -0.04 1.97 -0.14 0.00 0.02 0.00 0.00 61.00 62.81 3kxp s PRO 193 Cb -0.00 -1.85 -0.31 0.00 0.02 0.00 0.00 34.50 32.36 3kxp s PRO 193 CO -0.06 -1.64 1.08 -0.07 -0.33 0.00 0.00 177.00 175.98 3kxp h LEU 194 N 0.34 0.82 -9.51 -5.54 3.38 -1.24 -3.42 115.31 100.14 3kxp h LEU 194 Ca -0.50 -0.80 -0.60 0.00 0.09 0.00 0.00 57.88 56.06 3kxp h LEU 194 Cb 1.32 -0.26 0.11 0.00 0.09 0.00 0.00 40.66 41.92 3kxp h LEU 194 CO 0.52 1.61 0.22 0.00 0.09 0.00 0.00 178.44 180.88 3kxp n ALA 195 N -2.68 0.02 -2.39 1.53 0.00 -1.26 -4.81 120.51 110.93 3kxp n ALA 195 Ca -0.14 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.27 3kxp n ALA 195 Cb 1.03 -2.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 3kxp n ALA 195 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kxp s SER 196 N -0.44 7.00 0.25 0.00 0.15 -0.73 -4.93 113.70 114.99 3kxp s SER 196 Ca 0.60 1.93 -0.05 0.00 0.70 0.00 0.00 55.95 59.13 3kxp s SER 196 Cb -0.69 -2.56 0.27 0.00 -1.71 0.00 0.00 66.02 61.33 3kxp s SER 196 CO 0.59 -0.60 1.83 0.28 1.20 0.00 0.00 173.24 176.54 3kxp h SER 197 N 7.45 1.00 -0.75 5.45 0.02 -1.91 -2.46 113.55 122.36 3kxp h SER 197 Ca -0.36 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 60.42 3kxp h SER 197 Cb 1.17 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.42 3kxp h SER 197 CO 0.88 0.87 0.32 0.00 -1.14 0.00 0.00 176.83 177.76 3kxp h ALA 198 N 1.28 0.97 0.00 3.77 0.00 -1.95 -1.25 119.26 122.08 3kxp h ALA 198 Ca 0.26 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kxp h ALA 198 Cb 0.15 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3kxp h ALA 198 CO -0.03 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.80 3kxp n ALA 199 N -2.41 1.29 0.00 0.00 0.00 -0.93 -1.72 120.51 116.75 3kxp n ALA 199 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3kxp n ALA 199 Cb 0.16 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3kxp n ALA 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kxp n ALA 201 N 0.52 0.00 -0.20 0.00 0.00 -0.47 0.53 120.51 120.88 3kxp n ALA 201 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3kxp n ALA 201 Cb 0.04 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.51 3kxp n ALA 201 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3kxp h GLN 202 N 0.00 1.02 -0.24 0.00 4.20 -1.59 -2.26 115.11 116.24 3kxp h GLN 202 Ca 0.00 -0.32 -0.02 0.00 0.06 0.00 0.00 58.65 58.37 3kxp h GLN 202 Cb 0.00 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3kxp h GLN 202 CO 0.00 1.00 0.07 1.15 -0.67 0.00 0.00 178.83 180.38 3kxp h THR 203 N 0.91 1.20 -0.88 -0.54 2.02 -0.09 -0.88 112.91 114.65 3kxp h THR 203 Ca 0.17 -0.64 0.07 0.00 0.77 0.00 0.00 66.41 66.78 3kxp h THR 203 Cb 0.53 1.18 -0.07 0.00 -1.74 0.00 0.00 68.15 68.05 3kxp h THR 203 CO 0.03 0.21 0.54 0.00 0.37 0.00 0.00 175.52 176.66 3kxp h ALA 204 N 0.89 1.23 -0.55 6.16 0.00 -1.76 -0.83 119.26 124.39 3kxp h ALA 204 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3kxp h ALA 204 Cb 0.25 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3kxp h ALA 204 CO -0.00 0.25 0.08 -0.09 0.00 0.00 0.00 179.25 179.49 3kxp h ARG 205 N 0.95 0.92 0.00 0.00 2.43 -1.18 -2.77 114.38 114.73 3kxp h ARG 205 Ca 0.40 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3kxp h ARG 205 Cb 0.24 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3kxp h ARG 205 CO -0.20 0.89 -0.10 0.78 -1.51 0.00 0.00 179.97 179.83 3kxp h GLY 206 N 0.81 0.00 2.00 2.80 0.00 0.15 -2.42 103.07 106.42 3kxp h GLY 206 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3kxp h GLY 206 CO 0.01 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.59 3kxp n LEU 207 N -3.46 0.11 0.09 3.11 4.77 -0.48 -2.20 117.00 118.94 3kxp n LEU 207 Ca -0.01 0.53 0.13 0.00 -0.03 0.00 0.00 56.01 56.63 3kxp n LEU 207 Cb 0.26 -0.52 0.34 0.00 -2.33 0.00 0.00 43.42 41.16 3kxp n LEU 207 CO 0.29 -0.37 0.71 0.54 -1.33 0.00 0.00 177.39 177.23 3kxp n ARG 208 N -1.62 0.26 -1.60 3.23 1.74 -0.91 -4.92 116.66 112.83 3kxp n ARG 208 Ca 0.02 0.16 -0.37 0.00 -0.77 0.00 0.00 57.85 56.90 3kxp n ARG 208 Cb 0.14 -1.75 0.06 0.00 -1.02 0.00 0.00 32.46 29.89 3kxp n ARG 208 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3kxp n SER 209 N -2.17 1.00 -4.68 0.55 3.41 -0.93 -4.88 113.62 105.92 3kxp n SER 209 Ca 0.05 0.78 -0.42 0.00 -0.26 0.00 0.00 58.87 59.02 3kxp n SER 209 Cb 0.43 -1.43 -0.03 0.00 -0.26 0.00 0.00 64.21 62.92 3kxp n SER 209 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kxp s ASP 210 N -1.37 6.51 0.00 4.04 2.15 -1.26 -4.89 116.67 121.84 3kxp s ASP 210 Ca 0.78 2.62 0.17 0.00 0.43 0.00 0.00 52.55 56.55 3kxp s ASP 210 Cb -0.39 -2.56 0.12 0.00 -0.30 0.00 0.00 42.92 39.79 3kxp s ASP 210 CO 0.45 -0.96 1.03 -0.11 -0.17 0.00 0.00 175.17 175.41 3kxp n LEU 211 N 5.98 2.35 -0.09 -1.34 7.94 -1.26 -4.57 117.00 126.01 3kxp n LEU 211 Ca 0.17 -0.97 -0.07 0.00 -1.11 0.00 0.00 56.01 54.04 3kxp n LEU 211 Cb 0.40 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.35 3kxp n LEU 211 CO 0.65 0.42 0.90 0.58 -1.11 0.00 0.00 177.39 178.82 3kxp h VAL 212 N 3.21 0.84 -0.66 1.96 2.07 -1.96 -2.80 116.25 118.92 3kxp h VAL 212 Ca 0.00 -0.06 0.14 0.00 0.82 0.00 0.00 66.70 67.60 3kxp h VAL 212 Cb 0.71 0.66 -0.11 0.00 -1.52 0.00 0.00 31.29 31.02 3kxp h VAL 212 CO 0.00 0.03 -0.00 -0.65 0.02 0.00 0.00 177.57 176.97 3kxp h PRO 213 N 0.17 0.11 -0.57 1.57 0.11 -1.99 0.14 132.00 131.54 3kxp h PRO 213 Ca 0.15 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.17 3kxp h PRO 213 Cb 0.16 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 3kxp h PRO 213 CO -0.20 0.07 0.04 0.00 -0.21 0.00 0.00 178.00 177.70 3kxp h ALA 214 N 1.60 0.76 -0.05 -0.75 0.00 -1.82 -1.34 119.26 117.67 3kxp h ALA 214 Ca 0.35 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 3kxp h ALA 214 Cb 0.57 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3kxp h ALA 214 CO -0.57 0.56 -0.68 1.88 0.00 0.00 0.00 179.25 180.44 3kxp h TYR 215 N 0.87 0.28 -0.24 0.00 -1.99 -1.12 -2.12 116.97 112.66 3kxp h TYR 215 Ca 0.17 -0.12 -0.17 0.00 2.00 0.00 0.00 58.73 60.60 3kxp h TYR 215 Cb 0.50 -0.05 -0.00 0.00 2.00 0.00 0.00 36.73 39.18 3kxp h TYR 215 CO 0.04 0.83 -0.54 -0.09 -0.00 0.00 0.00 178.16 178.40 3kxp h ARG 216 N 0.15 0.70 -0.01 4.88 2.43 -0.60 -3.32 114.38 118.61 3kxp h ARG 216 Ca -0.02 -0.43 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3kxp h ARG 216 Cb 1.22 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 3kxp h ARG 216 CO 0.10 1.05 -0.68 -0.25 -1.51 0.00 0.00 179.97 178.69 3kxp n ASP 217 N -3.98 1.51 -4.72 -3.80 8.00 -0.52 -4.95 116.55 108.09 3kxp n ASP 217 Ca -0.03 -1.23 -0.42 0.00 0.71 0.00 0.00 54.79 53.81 3kxp n ASP 217 Cb 0.61 0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 42.34 3kxp n ASP 217 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kxp s VAL 218 N -2.71 2.17 -0.58 2.53 0.11 -0.80 -4.86 120.40 116.26 3kxp s VAL 218 Ca 0.14 0.13 0.16 0.00 -2.93 0.00 0.00 61.98 59.49 3kxp s VAL 218 Cb 0.17 -3.08 -0.20 0.00 -1.53 0.00 0.00 36.38 31.74 3kxp s VAL 218 CO 0.69 0.01 0.62 0.35 -3.33 0.00 0.00 175.10 173.44 3kxp n THR 219 N 3.72 0.00 -3.44 5.04 -2.24 -1.26 -4.99 114.28 111.11 3kxp n THR 219 Ca 0.14 -0.18 -0.26 0.00 -2.27 0.00 0.00 64.05 61.48 3kxp n THR 219 Cb 0.36 0.77 -0.02 0.00 -2.10 0.00 0.00 70.33 69.35 3kxp n THR 219 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3kxp s LYS 220 N -2.71 3.53 0.28 -0.78 -0.14 -1.26 -5.03 119.74 113.62 3kxp s LYS 220 Ca 0.03 -0.24 -0.30 0.00 -1.36 0.00 0.00 55.97 54.10 3kxp s LYS 220 Cb 0.12 -2.70 -0.13 0.00 -1.68 0.00 0.00 37.83 33.44 3kxp s LYS 220 CO 0.68 0.22 1.28 -2.30 -0.76 0.00 0.00 175.35 174.47 3kxp n PRO 221 N -1.31 1.87 -3.94 -1.68 -0.02 -1.26 -4.85 135.00 123.81 3kxp n PRO 221 Ca -0.04 0.66 -0.20 0.00 -2.02 0.00 0.00 63.50 61.90 3kxp n PRO 221 Cb 0.55 -2.23 -0.17 0.00 -0.02 0.00 0.00 33.50 31.64 3kxp n PRO 221 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kxp s VAL 222 N -0.59 0.37 -0.32 -1.45 1.01 -1.26 -1.19 120.40 116.98 3kxp s VAL 222 Ca 0.63 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 62.53 3kxp s VAL 222 Cb -0.65 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 3kxp s VAL 222 CO 0.56 0.22 0.20 -0.22 0.00 0.00 0.00 175.10 175.86 3kxp s LEU 223 N 1.40 4.29 -0.25 3.92 2.96 0.20 -3.72 118.68 127.47 3kxp s LEU 223 Ca -0.04 -0.35 -0.18 0.00 -0.22 0.00 0.00 54.13 53.34 3kxp s LEU 223 Cb -0.13 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 3kxp s LEU 223 CO -0.03 -0.18 0.50 -0.63 -1.32 0.00 0.00 176.35 174.69 3kxp s ILE 224 N 1.70 5.09 -0.16 6.68 1.01 -0.49 -1.02 121.20 134.01 3kxp s ILE 224 Ca 0.06 0.87 0.01 0.00 0.00 0.00 0.00 60.65 61.59 3kxp s ILE 224 Cb -0.17 -3.82 0.01 0.00 0.01 0.00 0.00 42.46 38.49 3kxp s ILE 224 CO 0.09 0.11 -0.18 -0.69 0.00 0.00 0.00 174.94 174.28 3kxp s VAL 225 N 2.13 2.38 0.03 2.92 1.01 -0.73 -0.37 120.40 127.78 3kxp s VAL 225 Ca 0.21 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.40 3kxp s VAL 225 Cb -0.16 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 3kxp s VAL 225 CO 0.09 0.53 -0.19 -0.60 0.00 0.00 0.00 175.10 174.93 3kxp s ARG 226 N 0.91 1.34 0.05 2.72 3.52 -0.00 0.68 118.95 128.16 3kxp s ARG 226 Ca -0.04 -0.86 -0.26 0.00 -0.13 0.00 0.00 55.73 54.44 3kxp s ARG 226 Cb -0.15 -1.40 -0.05 0.00 -1.56 0.00 0.00 34.95 31.78 3kxp s ARG 226 CO -0.03 0.36 0.81 0.20 -0.81 0.00 0.00 175.30 175.84 3kxp s GLY 227 N -1.04 2.82 0.44 8.12 0.00 -1.26 -0.26 107.32 116.14 3kxp s GLY 227 Ca 0.06 0.34 0.20 0.00 0.00 0.00 0.00 44.72 45.32 3kxp s GLY 227 CO 0.01 1.20 1.87 -2.09 0.00 0.00 0.00 173.10 174.09 3kxp h GLU 228 N 5.80 0.33 -0.23 2.90 4.81 -0.54 -1.81 114.58 125.84 3kxp h GLU 228 Ca -0.43 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 58.65 3kxp h GLU 228 Cb 1.21 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 30.43 3kxp h GLU 228 CO 0.72 0.22 -0.27 -1.13 -0.73 0.00 0.00 179.01 177.81 3kxp n SER 229 N -4.48 2.28 -4.75 1.04 3.41 -0.49 -4.96 113.62 105.68 3kxp n SER 229 Ca 0.19 -3.84 -0.41 0.00 -0.26 0.00 0.00 58.87 54.54 3kxp n SER 229 Cb 0.72 -0.59 -0.02 0.00 -0.26 0.00 0.00 64.21 64.06 3kxp n SER 229 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3kxp s SER 230 N -2.86 6.67 0.00 4.04 0.15 -0.68 -4.52 113.70 116.50 3kxp s SER 230 Ca 0.42 2.67 0.24 0.00 0.70 0.00 0.00 55.95 59.98 3kxp s SER 230 Cb 0.39 -2.63 0.35 0.00 -1.71 0.00 0.00 66.02 62.43 3kxp s SER 230 CO -0.03 -0.68 1.31 0.29 1.20 0.00 0.00 173.24 175.33 3kxp n LYS 231 N 2.11 0.00 -0.10 5.44 5.02 -1.26 -4.28 118.16 125.08 3kxp n LYS 231 Ca 0.06 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.13 3kxp n LYS 231 Cb 0.41 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.81 3kxp n LYS 231 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3kxp n LEU 232 N -1.50 1.86 -4.35 -0.35 7.94 -1.26 -4.74 117.00 114.60 3kxp n LEU 232 Ca 0.05 0.43 -0.44 0.00 -1.11 0.00 0.00 56.01 54.94 3kxp n LEU 232 Cb 0.33 -0.95 -0.08 0.00 0.53 0.00 0.00 43.42 43.26 3kxp n LEU 232 CO 0.37 0.25 0.01 -0.69 -1.11 0.00 0.00 177.39 176.21 3kxp s VAL 233 N -2.37 5.00 0.75 1.96 1.01 -1.26 -4.70 120.40 120.80 3kxp s VAL 233 Ca -0.29 -1.19 -0.11 0.00 0.00 0.00 0.00 61.98 60.39 3kxp s VAL 233 Cb 0.06 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.45 3kxp s VAL 233 CO 0.56 -0.60 1.08 -0.94 0.00 0.00 0.00 175.10 175.20 3kxp s SER 234 N 2.61 4.88 0.39 3.32 1.04 -1.26 -4.58 113.70 120.09 3kxp s SER 234 Ca 0.04 1.53 0.11 0.00 0.48 0.00 0.00 55.95 58.11 3kxp s SER 234 Cb -0.25 -2.33 0.78 0.00 0.10 0.00 0.00 66.02 64.33 3kxp s SER 234 CO 0.05 -1.75 1.89 0.00 0.98 0.00 0.00 173.24 174.41 3kxp h ALA 235 N -0.93 1.48 -0.26 5.32 0.00 -1.92 -1.97 119.26 120.97 3kxp h ALA 235 Ca -0.45 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.15 3kxp h ALA 235 Cb 1.24 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3kxp h ALA 235 CO 0.57 0.37 -0.09 0.00 0.00 0.00 0.00 179.25 180.11 3kxp h ALA 236 N 1.65 0.37 -0.90 0.00 0.00 -1.99 -0.50 119.26 117.90 3kxp h ALA 236 Ca 0.02 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.66 3kxp h ALA 236 Cb 0.48 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3kxp h ALA 236 CO 0.03 0.20 0.59 0.00 0.00 0.00 0.00 179.25 180.07 3kxp h ALA 237 N 0.76 1.39 -0.20 0.00 0.00 -1.73 0.15 119.26 119.63 3kxp h ALA 237 Ca 0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3kxp h ALA 237 Cb 0.57 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3kxp h ALA 237 CO 0.03 0.54 -0.10 1.25 0.00 0.00 0.00 179.25 180.98 3kxp h LEU 238 N 1.17 0.43 -1.10 0.00 5.85 -1.20 -0.57 115.31 119.89 3kxp h LEU 238 Ca 0.34 -0.41 0.07 0.00 0.84 0.00 0.00 57.88 58.73 3kxp h LEU 238 Cb -0.07 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 3kxp h LEU 238 CO -0.09 0.75 0.61 0.00 -0.34 0.00 0.00 178.44 179.37 3kxp h ALA 239 N 0.70 1.50 -0.08 1.25 0.00 -0.44 0.77 119.26 122.96 3kxp h ALA 239 Ca 0.04 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 3kxp h ALA 239 Cb 0.58 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3kxp h ALA 239 CO 0.03 0.34 -0.73 0.87 0.00 0.00 0.00 179.25 179.76 3kxp h LYS 240 N 1.05 0.44 -0.50 0.00 1.57 -0.86 -2.81 116.57 115.45 3kxp h LYS 240 Ca 0.42 -0.36 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 3kxp h LYS 240 Cb 0.25 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 3kxp h LYS 240 CO -0.17 0.99 0.12 1.15 -0.57 0.00 0.00 179.45 180.97 3kxp h THR 241 N 0.30 1.24 0.00 -0.16 2.02 -0.04 -2.42 112.91 113.85 3kxp h THR 241 Ca -0.03 -0.85 -0.04 0.00 0.77 0.00 0.00 66.41 66.26 3kxp h THR 241 Cb 1.31 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.56 3kxp h THR 241 CO 0.13 0.31 -0.20 0.28 0.37 0.00 0.00 175.52 176.40 3kxp h SER 242 N 0.69 0.00 1.56 4.18 0.02 -0.85 -0.70 113.55 118.44 3kxp h SER 242 Ca 0.16 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.02 3kxp h SER 242 Cb 0.33 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 3kxp h SER 242 CO 0.00 0.20 -0.44 0.03 -1.14 0.00 0.00 176.83 175.48 3kxp h ARG 243 N 0.00 0.00 -0.09 3.45 3.08 -1.24 0.11 114.38 119.69 3kxp h ARG 243 Ca -0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 3kxp h ARG 243 Cb 0.50 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.56 3kxp h ARG 243 CO 0.03 0.40 -0.84 1.25 -1.07 0.00 0.00 179.97 179.74 3kxp h LEU 244 N 0.00 0.89 -6.11 3.04 5.85 -0.85 -3.39 115.31 114.74 3kxp h LEU 244 Ca -0.01 -0.67 -0.57 0.00 0.84 0.00 0.00 57.88 57.47 3kxp h LEU 244 Cb 1.32 -0.27 -0.39 0.00 0.37 0.00 0.00 40.66 41.69 3kxp h LEU 244 CO 0.05 1.43 -1.03 0.54 -0.34 0.00 0.00 178.44 179.10 3kxp n ARG 245 N -3.95 0.77 0.15 1.25 5.12 -0.35 -4.95 116.66 114.70 3kxp n ARG 245 Ca -0.09 -3.35 0.11 0.00 -1.93 0.00 0.00 57.85 52.58 3kxp n ARG 245 Cb 0.78 -1.41 0.54 0.00 -1.16 0.00 0.00 32.46 31.21 3kxp n ARG 245 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3kxp n PRO 246 N 1.67 0.14 0.14 5.56 -0.04 0.37 -2.27 135.00 140.58 3kxp n PRO 246 Ca 0.24 0.59 0.04 0.00 -0.04 0.00 0.00 63.50 64.32 3kxp n PRO 246 Cb 0.51 -1.92 0.04 0.00 -0.04 0.00 0.00 33.50 32.08 3kxp n PRO 246 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 3kxp h ASP 247 N 0.00 0.00 -2.87 3.54 3.04 -1.93 -3.45 116.42 114.75 3kxp h ASP 247 Ca 0.00 0.00 -0.55 0.00 -3.24 0.00 0.00 57.03 53.24 3kxp h ASP 247 Cb 0.07 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.34 3kxp h ASP 247 CO 0.00 0.42 0.89 -0.76 -2.04 0.00 0.00 179.24 177.76 3kxp s LEU 248 N -6.35 4.27 0.50 0.15 1.43 -0.96 -4.98 118.68 112.74 3kxp s LEU 248 Ca 0.04 1.98 -0.23 0.00 -1.03 0.00 0.00 54.13 54.88 3kxp s LEU 248 Cb 0.07 -3.55 -0.07 0.00 0.03 0.00 0.00 46.19 42.68 3kxp s LEU 248 CO 0.74 -0.76 1.38 -2.16 0.23 0.00 0.00 176.35 175.78 3kxp s PRO 249 N 3.04 3.43 0.02 1.29 0.04 -1.24 -4.84 135.00 136.74 3kxp s PRO 249 Ca 0.62 2.29 0.08 0.00 0.04 0.00 0.00 61.00 64.03 3kxp s PRO 249 Cb -0.28 -2.45 -0.02 0.00 0.04 0.00 0.00 34.50 31.78 3kxp s PRO 249 CO 0.23 -0.98 -0.23 0.08 0.04 0.00 0.00 177.00 176.15 3kxp s VAL 250 N -1.27 1.82 -0.08 -0.36 1.01 -1.26 -1.40 120.40 118.87 3kxp s VAL 250 Ca 0.66 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3kxp s VAL 250 Cb -0.41 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.45 3kxp s VAL 250 CO 0.51 0.38 -0.06 -0.69 0.00 0.00 0.00 175.10 175.24 3kxp s VAL 251 N -0.68 0.77 -0.22 2.92 1.01 0.50 -4.96 120.40 119.75 3kxp s VAL 251 Ca 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 3kxp s VAL 251 Cb -0.09 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.49 3kxp s VAL 251 CO 0.01 0.31 -0.08 -0.69 0.00 0.00 0.00 175.10 174.64 3kxp s VAL 252 N 1.41 2.98 -0.47 2.92 1.01 -1.26 -0.82 120.40 126.16 3kxp s VAL 252 Ca -0.02 -0.70 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 3kxp s VAL 252 Cb -0.13 -2.37 0.04 0.00 0.00 0.00 0.00 36.38 33.91 3kxp s VAL 252 CO -0.03 0.40 0.64 -0.69 0.00 0.00 0.00 175.10 175.42 3kxp s VAL 253 N 1.41 4.83 0.41 2.92 1.01 0.64 -4.85 120.40 126.76 3kxp s VAL 253 Ca 0.05 -0.13 -0.26 0.00 0.00 0.00 0.00 61.98 61.63 3kxp s VAL 253 Cb -0.14 -4.25 -0.09 0.00 0.00 0.00 0.00 36.38 31.89 3kxp s VAL 253 CO -0.06 -0.70 1.36 -2.84 0.00 0.00 0.00 175.10 172.87 3kxp s PRO 254 N 2.78 3.95 -1.01 2.72 0.02 -1.26 -1.35 135.00 140.86 3kxp s PRO 254 Ca 0.20 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.51 3kxp s PRO 254 Cb -0.16 -2.79 0.00 0.00 0.02 0.00 0.00 34.50 31.57 3kxp s PRO 254 CO 0.16 -0.55 0.00 0.41 -0.33 0.00 0.00 177.00 176.69 3kxp n GLY 255 N 0.63 0.46 2.98 0.52 0.00 -1.26 -4.91 105.19 103.61 3kxp n GLY 255 Ca 0.03 -0.48 -0.18 0.00 0.00 0.00 0.00 46.02 45.40 3kxp n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kxp s ALA 256 N -2.48 0.60 0.08 4.61 0.00 -1.12 -4.90 121.76 118.56 3kxp s ALA 256 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.69 3kxp s ALA 256 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.94 3kxp s ALA 256 CO 0.00 0.13 0.00 -0.40 0.00 0.00 0.00 175.76 175.49 3kxp n ASP 257 N 3.05 0.00 -0.13 0.00 3.85 -1.26 -1.40 116.55 120.66 3kxp n ASP 257 Ca -0.15 0.00 0.09 0.00 -0.71 0.00 0.00 54.79 54.03 3kxp n ASP 257 Cb 0.57 0.00 0.43 0.00 -1.35 0.00 0.00 41.12 40.77 3kxp n ASP 257 CO 0.00 0.00 0.00 -0.74 -1.01 0.00 0.00 177.20 175.45 3kxp h HIS 258 N 0.00 0.60 -0.91 2.11 -0.00 -1.88 -3.24 115.15 111.83 3kxp h HIS 258 Ca 0.00 0.02 -0.73 0.00 -0.00 0.00 0.00 60.37 59.65 3kxp h HIS 258 Cb 0.00 -0.19 -0.10 0.00 -0.00 0.00 0.00 27.41 27.12 3kxp h HIS 258 CO 0.00 0.30 2.60 0.66 -0.00 0.00 0.00 177.93 181.49 3kxp n TYR 259 N -4.48 2.79 0.12 5.26 4.01 -1.26 -4.80 117.16 118.80 3kxp n TYR 259 Ca 0.10 -2.87 -0.13 0.00 -0.16 0.00 0.00 57.90 54.84 3kxp n TYR 259 Cb 0.31 -2.07 -0.06 0.00 -0.31 0.00 0.00 39.34 37.21 3kxp n TYR 259 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3kxp h VAL 260 N 3.23 0.62 0.00 -0.72 2.07 -1.93 -0.55 116.25 118.96 3kxp h VAL 260 Ca 0.61 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 68.09 3kxp h VAL 260 Cb 0.45 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3kxp h VAL 260 CO 1.63 0.00 -0.19 -0.55 0.02 0.00 0.00 177.57 178.48 3kxp h ASN 261 N -0.36 0.00 0.39 0.57 -0.00 -1.87 0.53 115.58 114.84 3kxp h ASN 261 Ca 0.01 0.00 -0.31 0.00 -0.00 0.00 0.00 56.30 56.00 3kxp h ASN 261 Cb 0.35 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 38.64 3kxp h ASN 261 CO -0.06 0.19 -1.78 -0.33 -0.00 0.00 0.00 177.43 175.45 3kxp h GLU 262 N 0.00 0.09 0.14 4.14 5.08 -1.92 -3.22 114.58 118.88 3kxp h GLU 262 Ca -0.00 -0.15 -0.28 0.00 -1.00 0.00 0.00 59.36 57.92 3kxp h GLU 262 Cb 0.38 0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.69 3kxp h GLU 262 CO 0.02 0.74 -1.30 0.28 -1.00 0.00 0.00 179.01 177.75 3kxp h VAL 263 N 0.02 1.43 -2.20 3.13 2.07 -0.97 -3.40 116.25 116.34 3kxp h VAL 263 Ca -0.32 -3.00 -0.58 0.00 0.82 0.00 0.00 66.70 63.62 3kxp h VAL 263 Cb 2.02 2.93 -0.40 0.00 -1.52 0.00 0.00 31.29 34.31 3kxp h VAL 263 CO 0.09 0.88 -0.87 -1.20 0.02 0.00 0.00 177.57 176.48 3kxp n SER 264 N -3.54 1.60 -0.17 0.57 7.64 0.17 -4.96 113.62 114.93 3kxp n SER 264 Ca -0.10 -2.96 -0.02 0.00 1.01 0.00 0.00 58.87 56.79 3kxp n SER 264 Cb 1.03 -0.65 0.19 0.00 -1.01 0.00 0.00 64.21 63.77 3kxp n SER 264 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3kxp h PRO 265 N 4.36 0.91 0.03 1.43 0.13 -1.72 -1.94 132.00 135.20 3kxp h PRO 265 Ca 0.14 -0.15 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3kxp h PRO 265 Cb 0.80 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.77 3kxp h PRO 265 CO 0.60 0.75 -0.02 0.93 -0.23 0.00 0.00 178.00 180.04 3kxp h GLU 266 N 0.90 -0.04 -0.45 0.86 4.39 -1.93 -0.67 114.58 117.64 3kxp h GLU 266 Ca 0.21 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.89 3kxp h GLU 266 Cb 0.18 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 3kxp h GLU 266 CO -0.02 0.39 0.16 0.82 -1.16 0.00 0.00 179.01 179.20 3kxp h ILE 267 N -0.48 1.18 -0.11 3.13 2.04 -1.97 -0.99 117.51 120.30 3kxp h ILE 267 Ca -0.00 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 3kxp h ILE 267 Cb 0.45 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3kxp h ILE 267 CO 0.01 0.22 0.03 0.74 0.00 0.00 0.00 178.15 179.15 3kxp h THR 268 N 0.64 1.18 -0.01 -0.27 2.02 -1.25 -0.31 112.91 114.91 3kxp h THR 268 Ca 0.15 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.79 3kxp h THR 268 Cb 0.16 1.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3kxp h THR 268 CO -0.01 0.16 0.01 0.25 0.37 0.00 0.00 175.52 176.29 3kxp h LEU 269 N -0.00 0.02 -0.79 2.58 5.85 -0.78 -1.68 115.31 120.49 3kxp h LEU 269 Ca 0.04 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.80 3kxp h LEU 269 Cb 0.22 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 3kxp h LEU 269 CO -0.00 0.04 0.47 0.50 -0.34 0.00 0.00 178.44 179.10 3kxp h LYS 270 N -0.01 0.81 -0.53 1.25 3.11 -1.12 -1.17 116.57 118.91 3kxp h LYS 270 Ca 0.00 -0.05 -0.06 0.00 -2.81 0.00 0.00 60.65 57.73 3kxp h LYS 270 Cb 0.02 -0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 31.05 3kxp h LYS 270 CO -0.00 0.54 0.07 0.00 -2.81 0.00 0.00 179.45 177.25 3kxp h ALA 271 N 1.40 1.13 -0.25 5.00 0.00 -0.79 -1.03 119.26 124.72 3kxp h ALA 271 Ca 0.36 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3kxp h ALA 271 Cb 0.23 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3kxp h ALA 271 CO -0.20 0.57 0.03 0.82 0.00 0.00 0.00 179.25 180.48 3kxp h ILE 272 N 0.80 1.23 -0.14 0.00 2.04 -0.34 -2.86 117.51 118.24 3kxp h ILE 272 Ca 0.16 -0.79 -0.11 0.00 1.00 0.00 0.00 64.86 65.12 3kxp h ILE 272 Cb 0.38 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 3kxp h ILE 272 CO 0.01 0.25 -0.40 0.71 0.00 0.00 0.00 178.15 178.72 3kxp h THR 273 N 0.22 1.31 -0.32 -0.27 1.35 -1.04 -1.76 112.91 112.40 3kxp h THR 273 Ca 0.08 -1.53 -0.04 0.00 -0.55 0.00 0.00 66.41 64.37 3kxp h THR 273 Cb 0.34 1.65 -0.02 0.00 -1.73 0.00 0.00 68.15 68.39 3kxp h THR 273 CO 0.01 0.46 0.01 0.78 -0.25 0.00 0.00 175.52 176.53 3kxp h ASN 274 N 0.27 0.45 0.17 5.36 2.35 -1.14 -1.07 115.58 121.96 3kxp h ASN 274 Ca 0.02 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 3kxp h ASN 274 Cb 0.83 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.09 3kxp h ASN 274 CO 0.07 0.51 -0.08 0.15 -1.65 0.00 0.00 177.43 176.42 3kxp h PHE 275 N 0.47 -0.22 0.00 1.19 -0.00 -1.24 -3.15 116.94 113.99 3kxp h PHE 275 Ca 0.10 -0.01 -0.04 0.00 -0.00 0.00 0.00 57.97 58.03 3kxp h PHE 275 Cb 0.29 0.07 -0.01 0.00 -0.00 0.00 0.00 35.95 36.31 3kxp h PHE 275 CO 0.01 0.20 -0.20 -0.84 -0.00 0.00 0.00 178.31 177.47 3kxp h ILE 276 N -0.89 0.37 -0.06 1.41 3.07 -1.34 -3.26 117.51 116.80 3kxp h ILE 276 Ca -0.02 -1.37 0.00 0.00 1.55 0.00 0.00 64.86 65.02 3kxp h ILE 276 Cb 0.51 2.05 0.00 0.00 -0.27 0.00 0.00 36.82 39.11 3kxp h ILE 276 CO 0.04 0.20 0.00 0.47 -1.05 0.00 0.00 178.15 177.81 3kxp n ASP 277 N -3.19 2.27 0.00 2.16 8.00 -0.41 -5.09 116.55 120.29 3kxp n ASP 277 Ca 0.02 -1.76 0.00 0.00 0.71 0.00 0.00 54.79 53.77 3kxp n ASP 277 Cb 0.56 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 3kxp n ASP 277 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81