#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 3.62 -0.12 4.41 0.40 -1.26 -4.81 117.98 120.22 3kxp s PHE 12 Ca 0.00 0.93 -0.12 0.00 -0.60 0.00 0.00 56.93 57.15 3kxp s PHE 12 Cb 0.00 -2.42 -0.05 0.00 0.51 0.00 0.00 43.02 41.06 3kxp s PHE 12 CO 0.00 0.41 0.26 0.96 0.70 0.00 0.00 175.22 177.54 3kxp s ILE 13 N -0.23 5.31 -0.04 0.64 -5.25 -0.83 -4.84 121.20 115.96 3kxp s ILE 13 Ca 0.24 0.48 -0.01 0.00 -0.99 0.00 0.00 60.65 60.37 3kxp s ILE 13 Cb -0.16 -3.57 -0.04 0.00 2.95 0.00 0.00 42.46 41.65 3kxp s ILE 13 CO 0.12 0.50 0.06 -0.44 -1.79 0.00 0.00 174.94 173.39 3kxp s SER 14 N -0.31 5.58 -0.14 4.36 0.01 -1.26 -1.28 113.70 120.67 3kxp s SER 14 Ca 0.17 0.16 -0.29 0.00 1.31 0.00 0.00 55.95 57.30 3kxp s SER 14 Cb -0.13 -1.61 0.09 0.00 0.21 0.00 0.00 66.02 64.58 3kxp s SER 14 CO 0.05 0.32 0.81 0.00 0.41 0.00 0.00 173.24 174.83 3kxp s ARG 15 N -1.42 0.84 -0.18 12.44 1.70 -0.83 -4.99 118.95 126.51 3kxp s ARG 15 Ca 0.19 0.39 -0.19 0.00 -0.47 0.00 0.00 55.73 55.65 3kxp s ARG 15 Cb -0.12 0.40 -0.03 0.00 -0.57 0.00 0.00 34.95 34.63 3kxp s ARG 15 CO 0.09 -0.22 0.54 1.03 -1.08 0.00 0.00 175.30 175.66 3kxp s ARG 16 N -0.75 4.23 -0.22 3.89 0.52 -1.26 -1.28 118.95 124.08 3kxp s ARG 16 Ca -0.05 0.48 -0.07 0.00 -0.52 0.00 0.00 55.73 55.57 3kxp s ARG 16 Cb -0.01 -3.54 -0.03 0.00 0.52 0.00 0.00 34.95 31.89 3kxp s ARG 16 CO 0.04 -0.10 0.06 0.08 0.02 0.00 0.00 175.30 175.40 3kxp s VAL 17 N 1.46 4.43 -0.35 3.52 1.01 0.36 -4.89 120.40 125.95 3kxp s VAL 17 Ca 0.26 -0.14 -0.25 0.00 0.00 0.00 0.00 61.98 61.84 3kxp s VAL 17 Cb -0.16 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.20 3kxp s VAL 17 CO 0.10 0.40 0.87 -0.62 0.00 0.00 0.00 175.10 175.85 3kxp s ASP 18 N 1.04 6.66 -0.17 3.32 3.68 -1.26 -0.79 116.67 129.16 3kxp s ASP 18 Ca 0.04 0.58 0.16 0.00 2.13 0.00 0.00 52.55 55.46 3kxp s ASP 18 Cb -0.14 -2.44 0.54 0.00 -1.45 0.00 0.00 42.92 39.43 3kxp s ASP 18 CO 0.03 -0.77 1.44 2.30 0.13 0.00 0.00 175.17 178.29 3kxp n ILE 19 N 5.82 2.22 0.00 4.11 -5.35 -0.46 -5.01 119.36 120.70 3kxp n ILE 19 Ca 0.06 -1.77 0.00 0.00 -0.27 0.00 0.00 62.75 60.77 3kxp n ILE 19 Cb 0.48 -0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.19 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 -0.32 2.15 0.34 3.28 0.00 -1.26 -4.52 105.19 104.86 3kxp n GLY 20 Ca 0.21 -0.35 0.22 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.57 1.61 0.11 -1.99 -3.45 114.38 109.09 3kxp h ARG 21 Ca 0.00 0.00 0.32 0.00 0.10 0.00 0.00 59.98 60.40 3kxp h ARG 21 Cb 0.00 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 30.97 3kxp h ARG 21 CO 0.00 0.00 0.83 -1.50 0.10 0.00 0.00 179.97 179.40 3kxp s ILE 22 N -4.14 0.00 -0.11 0.08 2.07 -1.26 -5.15 121.20 112.69 3kxp s ILE 22 Ca -0.05 -0.23 0.02 0.00 -1.41 0.00 0.00 60.65 58.98 3kxp s ILE 22 Cb 0.12 -2.16 -0.01 0.00 0.13 0.00 0.00 42.46 40.54 3kxp s ILE 22 CO 0.39 0.00 -0.16 -0.89 -1.91 0.00 0.00 174.94 172.37 3kxp s THR 23 N -2.37 2.76 0.09 4.00 2.01 -1.26 -1.36 115.64 119.51 3kxp s THR 23 Ca 0.16 -0.78 0.09 0.00 0.31 0.00 0.00 61.69 61.48 3kxp s THR 23 Cb 0.04 -2.12 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 3kxp s THR 23 CO -0.03 0.54 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.44 3kxp s LEU 24 N 0.20 2.25 -0.02 4.42 1.43 0.03 -1.90 118.68 125.09 3kxp s LEU 24 Ca -0.10 -0.66 -0.15 0.00 -1.03 0.00 0.00 54.13 52.19 3kxp s LEU 24 Cb -0.16 -1.08 -0.06 0.00 0.03 0.00 0.00 46.19 44.92 3kxp s LEU 24 CO 0.06 0.15 0.42 0.21 0.23 0.00 0.00 176.35 177.42 3kxp s ASN 25 N -1.69 6.79 0.09 2.29 2.47 -1.26 0.14 114.94 123.77 3kxp s ASN 25 Ca 0.10 0.94 -0.00 0.00 0.42 0.00 0.00 52.86 54.32 3kxp s ASN 25 Cb -0.10 -2.26 -0.04 0.00 -1.45 0.00 0.00 41.25 37.41 3kxp s ASN 25 CO 0.04 0.28 -0.01 0.68 -3.72 0.00 0.00 177.10 174.37 3kxp s VAL 26 N -0.83 0.30 -0.16 -5.21 -7.23 -0.41 -1.03 120.40 105.82 3kxp s VAL 26 Ca 0.24 -1.87 0.01 0.00 -1.81 0.00 0.00 61.98 58.54 3kxp s VAL 26 Cb -0.16 -1.76 0.03 0.00 0.56 0.00 0.00 36.38 35.04 3kxp s VAL 26 CO 0.13 -0.77 -0.14 -0.13 -0.31 0.00 0.00 175.10 173.87 3kxp s ARG 27 N -3.94 2.36 0.20 4.82 0.52 -0.56 -1.97 118.95 120.38 3kxp s ARG 27 Ca 0.14 -0.65 0.10 0.00 -0.52 0.00 0.00 55.73 54.80 3kxp s ARG 27 Cb 0.07 -2.23 -0.04 0.00 0.52 0.00 0.00 34.95 33.27 3kxp s ARG 27 CO -0.04 -0.26 -0.12 -1.21 0.02 0.00 0.00 175.30 173.68 3kxp s GLU 28 N 1.44 1.96 -0.24 3.54 2.02 -0.40 -1.58 118.70 125.44 3kxp s GLU 28 Ca 0.04 -1.36 -0.29 0.00 0.02 0.00 0.00 54.97 53.38 3kxp s GLU 28 Cb -0.13 -2.08 0.16 0.00 0.10 0.00 0.00 34.13 32.18 3kxp s GLU 28 CO -0.11 0.41 1.20 0.21 0.02 0.00 0.00 175.26 177.00 3kxp s LYS 29 N -2.93 0.31 0.46 1.61 2.20 -0.94 -1.97 119.74 118.48 3kxp s LYS 29 Ca 0.25 0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.98 3kxp s LYS 29 Cb -0.08 0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.39 3kxp s LYS 29 CO 0.15 -0.09 0.00 0.41 -0.36 0.00 0.00 175.35 175.46 3kxp n GLY 30 N 0.86 -2.31 3.24 5.54 0.00 -1.26 -1.43 105.19 109.83 3kxp n GLY 30 Ca -0.06 -1.62 -0.10 0.00 0.00 0.00 0.00 46.02 44.24 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 -3.02 -0.04 0.00 1.61 1.04 -1.16 -4.64 113.70 107.49 3kxp s SER 31 Ca 0.00 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.04 3kxp s SER 31 Cb 0.00 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.49 3kxp s SER 31 CO 0.00 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.14 3kxp n GLY 32 N 0.22 0.30 3.50 7.32 0.00 -1.26 -2.51 105.19 112.76 3kxp n GLY 32 Ca -0.17 -2.27 -0.38 0.00 0.00 0.00 0.00 46.02 43.21 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 0.58 -1.77 1.61 -0.02 -1.25 -3.25 135.00 130.89 3kxp n PRO 33 Ca 0.00 0.23 -0.30 0.00 -2.02 0.00 0.00 63.50 61.41 3kxp n PRO 33 Cb 0.00 -1.83 0.22 0.00 -0.02 0.00 0.00 33.50 31.87 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 -0.04 2.33 -0.28 2.45 2.96 -1.26 -0.91 118.68 123.92 3kxp s LEU 34 Ca 0.71 0.23 -0.24 0.00 -0.22 0.00 0.00 54.13 54.60 3kxp s LEU 34 Cb -0.43 -2.11 0.13 0.00 0.50 0.00 0.00 46.19 44.27 3kxp s LEU 34 CO 0.53 -3.18 1.04 -0.76 -1.32 0.00 0.00 176.35 172.65 3kxp s LEU 36 N -6.17 -0.45 -0.13 -0.68 1.43 0.02 -1.46 118.68 111.26 3kxp s LEU 36 Ca 0.76 0.85 0.01 0.00 -1.03 0.00 0.00 54.13 54.72 3kxp s LEU 36 Cb -0.03 1.86 -0.01 0.00 0.03 0.00 0.00 46.19 48.04 3kxp s LEU 36 CO 0.54 -0.15 -0.17 -0.36 0.23 0.00 0.00 176.35 176.45 3kxp s PHE 37 N 0.31 2.73 -0.19 0.29 0.40 -0.09 -0.69 117.98 120.75 3kxp s PHE 37 Ca 0.02 -0.87 0.01 0.00 -0.60 0.00 0.00 56.93 55.49 3kxp s PHE 37 Cb -0.05 -1.81 0.03 0.00 0.51 0.00 0.00 43.02 41.70 3kxp s PHE 37 CO -0.07 -0.34 -0.16 -0.06 0.70 0.00 0.00 175.22 175.28 3kxp s PHE 38 N 0.47 2.66 1.13 0.36 0.40 -0.39 -1.23 117.98 121.38 3kxp s PHE 38 Ca -0.12 -1.63 -0.15 0.00 -0.60 0.00 0.00 56.93 54.42 3kxp s PHE 38 Cb -0.16 -1.82 0.25 0.00 0.51 0.00 0.00 43.02 41.80 3kxp s PHE 38 CO 0.05 -0.78 1.08 -3.38 0.70 0.00 0.00 175.22 172.89 3kxp s HIS 39 N 1.32 1.26 0.77 0.36 -3.43 -1.26 -0.93 115.29 113.38 3kxp s HIS 39 Ca 0.03 0.81 -0.05 0.00 -0.80 0.00 0.00 55.06 55.04 3kxp s HIS 39 Cb -0.14 -3.28 0.14 0.00 -1.43 0.00 0.00 32.58 27.87 3kxp s HIS 39 CO -0.11 -3.55 1.07 0.20 -2.00 0.00 0.00 174.74 170.35 3kxp s GLY 40 N -3.45 1.76 0.37 -1.38 0.00 -1.15 -2.02 107.32 101.46 3kxp s GLY 40 Ca 0.68 -1.54 -0.28 0.00 0.00 0.00 0.00 44.72 43.58 3kxp s GLY 40 CO 0.58 -0.94 1.44 4.51 0.00 0.00 0.00 173.10 178.69 3kxp n ILE 41 N -3.05 2.02 0.00 0.90 3.06 -1.26 -2.17 119.36 118.85 3kxp n ILE 41 Ca 0.14 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.89 3kxp n ILE 41 Cb 0.60 -1.87 0.00 0.00 0.54 0.00 0.00 39.64 38.91 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 0.39 0.00 -1.12 9.51 -2.24 -1.26 -4.96 114.28 114.60 3kxp n THR 42 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3kxp n THR 42 Cb 0.38 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 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 -3.61 3.42 2.88 -0.92 -4.84 113.62 110.54 3kxp n SER 43 Ca 0.00 -0.50 -0.09 0.00 -1.33 0.00 0.00 58.87 56.94 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 -0.41 0.52 -3.46 2.20 -1.26 -4.40 114.94 107.13 3kxp s ASN 44 Ca 0.00 -0.25 0.38 0.00 -0.94 0.00 0.00 52.86 52.05 3kxp s ASN 44 Cb 0.00 0.63 1.55 0.00 -2.00 0.00 0.00 41.25 41.42 3kxp s ASN 44 CO 0.00 -1.08 1.72 0.77 -2.94 0.00 0.00 177.10 175.57 3kxp h SER 45 N 2.00 0.07 -0.07 3.54 4.64 -1.91 -2.92 113.55 118.89 3kxp h SER 45 Ca -0.27 0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.10 3kxp h SER 45 Cb 1.28 0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3kxp h SER 45 CO 0.31 -0.01 0.05 0.00 -0.87 0.00 0.00 176.83 176.31 3kxp h ALA 46 N 1.34 2.06 0.00 5.18 0.00 -1.95 -2.60 119.26 123.30 3kxp h ALA 46 Ca 0.70 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.61 3kxp h ALA 46 Cb 2.64 0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.44 3kxp h ALA 46 CO -0.09 -0.09 0.03 1.33 0.00 0.00 0.00 179.25 180.44 3kxp n VAL 47 N -4.50 0.98 1.03 0.00 0.24 -1.11 -1.75 118.33 113.22 3kxp n VAL 47 Ca -0.01 0.74 0.11 0.00 -2.04 0.00 0.00 64.34 63.14 3kxp n VAL 47 Cb 0.16 -1.74 0.10 0.00 -1.47 0.00 0.00 33.84 30.89 3kxp n VAL 47 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3kxp n PHE 48 N -2.24 0.00 -0.25 6.34 3.01 -0.98 -4.48 117.46 118.86 3kxp n PHE 48 Ca -0.01 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.47 3kxp n PHE 48 Cb 0.07 -0.12 0.15 0.00 -0.01 0.00 0.00 39.48 39.57 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 0.34 0.52 -0.89 -1.08 5.08 -1.52 -1.56 114.58 115.47 3kxp h GLU 49 Ca 0.00 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 3kxp h GLU 49 Cb 0.52 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 3kxp h GLU 49 CO 0.00 0.35 0.58 -1.35 -1.00 0.00 0.00 179.01 177.58 3kxp h PRO 50 N 0.54 1.02 -1.08 2.33 0.11 -1.81 -1.98 132.00 131.12 3kxp h PRO 50 Ca 0.37 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.42 3kxp h PRO 50 Cb 0.46 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.34 3kxp h PRO 50 CO -0.32 0.68 0.00 -0.11 -0.21 0.00 0.00 178.00 178.04 3kxp n LEU 51 N -4.47 1.76 0.00 2.35 7.94 -0.59 -4.04 117.00 119.96 3kxp n LEU 51 Ca 0.13 -0.88 0.00 0.00 -1.11 0.00 0.00 56.01 54.14 3kxp n LEU 51 Cb 0.15 -0.38 0.00 0.00 0.53 0.00 0.00 43.42 43.73 3kxp n LEU 51 CO 0.34 0.31 0.00 -0.38 -1.11 0.00 0.00 177.39 176.55 3kxp n ILE 53 N 0.46 0.00 0.33 1.96 5.41 -0.75 -3.58 119.36 123.19 3kxp n ILE 53 Ca 0.00 0.00 0.15 0.00 1.00 0.00 0.00 62.75 63.90 3kxp n ILE 53 Cb 0.31 0.00 0.52 0.00 -0.71 0.00 0.00 39.64 39.77 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 2.47 -1.84 -3.24 114.38 112.15 3kxp h ARG 54 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3kxp h ARG 54 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3kxp h ARG 54 CO 0.00 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.81 3kxp n LEU 55 N -2.83 1.13 -0.04 3.04 4.77 -1.24 -4.76 117.00 117.08 3kxp n LEU 55 Ca 0.02 -1.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.02 3kxp n LEU 55 Cb 0.34 -0.00 0.36 0.00 -2.33 0.00 0.00 43.42 41.79 3kxp n LEU 55 CO 0.27 0.27 1.11 0.28 -1.33 0.00 0.00 177.39 177.98 3kxp h SER 56 N 0.31 0.55 0.70 -1.43 0.02 -1.73 -0.60 113.55 111.36 3kxp h SER 56 Ca 0.00 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3kxp h SER 56 Cb 0.07 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 3kxp h SER 56 CO 0.00 0.46 -0.01 -2.24 -1.14 0.00 0.00 176.83 173.90 3kxp h ASP 57 N 0.62 0.00 0.00 3.07 3.04 -1.86 -3.06 116.42 118.23 3kxp h ASP 57 Ca 0.16 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.94 3kxp h ASP 57 Cb 0.05 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.34 3kxp h ASP 57 CO -0.02 0.01 -1.23 0.54 -2.04 0.00 0.00 179.24 176.49 3kxp n ARG 58 N -3.12 0.33 -4.17 4.15 1.74 -1.04 -4.79 116.66 109.77 3kxp n ARG 58 Ca -0.01 -0.04 -0.12 0.00 -0.77 0.00 0.00 57.85 56.91 3kxp n ARG 58 Cb 0.24 -1.12 -0.10 0.00 -1.02 0.00 0.00 32.46 30.46 3kxp n ARG 58 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3kxp s PHE 59 N -2.33 0.94 -0.71 -1.55 0.40 -0.26 -3.96 117.98 110.50 3kxp s PHE 59 Ca -0.02 -0.81 -0.22 0.00 -0.60 0.00 0.00 56.93 55.29 3kxp s PHE 59 Cb 0.03 -0.53 0.08 0.00 0.51 0.00 0.00 43.02 43.12 3kxp s PHE 59 CO 0.21 -0.09 0.98 0.99 0.70 0.00 0.00 175.22 178.01 3kxp s THR 60 N -3.15 4.43 -0.18 0.64 2.01 -0.09 -3.08 115.64 116.22 3kxp s THR 60 Ca 0.09 -0.64 -0.22 0.00 0.31 0.00 0.00 61.69 61.23 3kxp s THR 60 Cb 0.02 -4.69 -0.02 0.00 0.01 0.00 0.00 72.50 67.81 3kxp s THR 60 CO -0.03 -1.45 0.66 0.42 -0.69 0.00 0.00 174.62 173.54 3kxp s THR 61 N 3.71 5.01 -0.08 -0.82 -4.23 -0.51 -4.47 115.64 114.24 3kxp s THR 61 Ca 0.23 1.27 -0.00 0.00 -1.18 0.00 0.00 61.69 62.01 3kxp s THR 61 Cb -0.15 -3.98 0.02 0.00 1.34 0.00 0.00 72.50 69.74 3kxp s THR 61 CO 0.06 0.11 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.58 3kxp s ILE 62 N 1.82 0.69 -0.09 2.99 1.01 -1.26 -2.21 121.20 124.16 3kxp s ILE 62 Ca 0.31 -0.11 -0.11 0.00 0.00 0.00 0.00 60.65 60.74 3kxp s ILE 62 Cb -0.16 -0.76 -0.05 0.00 0.01 0.00 0.00 42.46 41.50 3kxp s ILE 62 CO 0.11 0.30 0.26 0.00 0.00 0.00 0.00 174.94 175.61 3kxp s ALA 63 N 1.59 3.76 -0.14 9.38 0.00 -0.62 -0.91 121.76 134.83 3kxp s ALA 63 Ca 0.01 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.51 3kxp s ALA 63 Cb -0.13 -2.19 -0.01 0.00 0.00 0.00 0.00 23.12 20.79 3kxp s ALA 63 CO -0.05 0.47 -0.15 0.08 0.00 0.00 0.00 175.76 176.12 3kxp s VAL 64 N -0.76 2.84 -0.25 0.00 1.01 -0.37 -1.50 120.40 121.37 3kxp s VAL 64 Ca 0.18 -0.73 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 3kxp s VAL 64 Cb -0.14 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.06 3kxp s VAL 64 CO 0.07 0.52 1.11 -1.81 0.00 0.00 0.00 175.10 174.99 3kxp s ASP 65 N 0.55 6.99 0.59 3.32 -0.00 -0.20 -4.38 116.67 123.55 3kxp s ASP 65 Ca -0.09 1.34 -0.08 0.00 -0.00 0.00 0.00 52.55 53.71 3kxp s ASP 65 Cb -0.16 -2.54 -0.02 0.00 -0.00 0.00 0.00 42.92 40.20 3kxp s ASP 65 CO 0.04 -0.78 0.95 -1.10 -0.00 0.00 0.00 175.17 174.28 3kxp s GLN 66 N 3.45 3.27 0.20 8.23 -0.21 -1.26 -4.19 119.66 129.15 3kxp s GLN 66 Ca 0.47 0.36 -0.31 0.00 0.02 0.00 0.00 55.36 55.91 3kxp s GLN 66 Cb -0.16 -2.19 -0.16 0.00 1.00 0.00 0.00 33.01 31.50 3kxp s GLN 66 CO 0.11 -0.60 0.95 2.89 -2.12 0.00 0.00 175.29 176.52 3kxp n ARG 67 N -2.64 0.84 -0.16 2.91 1.85 -1.26 -0.67 116.66 117.54 3kxp n ARG 67 Ca 0.04 0.30 0.00 0.00 -1.00 0.00 0.00 57.85 57.19 3kxp n ARG 67 Cb 0.56 -1.64 0.00 0.00 -1.05 0.00 0.00 32.46 30.33 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 1.73 1.89 3.61 2.89 0.00 -0.70 -5.01 105.19 109.61 3kxp n GLY 68 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.89 2.31 0.00 1.61 3.76 0.15 -1.85 115.29 118.39 3kxp s HIS 69 Ca 0.00 -0.78 0.00 0.00 -0.15 0.00 0.00 55.06 54.13 3kxp s HIS 69 Cb 0.00 -1.66 0.00 0.00 1.11 0.00 0.00 32.58 32.03 3kxp s HIS 69 CO 0.00 0.33 0.00 0.41 -0.85 0.00 0.00 174.74 174.63 3kxp n GLY 70 N -0.97 2.20 2.05 -2.22 0.00 -1.26 -1.74 105.19 103.24 3kxp n GLY 70 Ca -0.07 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 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 6.28 -5.00 0.99 4.77 -1.26 -4.63 117.00 118.15 3kxp n LEU 71 Ca 0.00 -3.52 -0.18 0.00 -0.03 0.00 0.00 56.01 52.28 3kxp n LEU 71 Cb 0.00 -0.79 0.01 0.00 -2.33 0.00 0.00 43.42 40.31 3kxp n LEU 71 CO 0.00 1.00 0.14 -0.44 -1.33 0.00 0.00 177.39 176.76 3kxp s SER 72 N -1.36 5.73 0.73 -1.43 0.01 -0.71 -4.29 113.70 112.38 3kxp s SER 72 Ca 0.55 -0.32 -0.16 0.00 1.31 0.00 0.00 55.95 57.34 3kxp s SER 72 Cb 0.46 -0.85 0.04 0.00 0.21 0.00 0.00 66.02 65.87 3kxp s SER 72 CO 0.11 -0.68 1.25 -1.81 0.41 0.00 0.00 173.24 172.51 3kxp s ASP 73 N -4.30 4.08 -0.51 2.44 1.01 -0.80 -4.64 116.67 113.95 3kxp s ASP 73 Ca 0.52 2.50 0.06 0.00 0.71 0.00 0.00 52.55 56.34 3kxp s ASP 73 Cb -0.10 -2.60 0.22 0.00 1.01 0.00 0.00 42.92 41.45 3kxp s ASP 73 CO 0.33 -2.35 0.54 0.29 0.21 0.00 0.00 175.17 174.19 3kxp n LYS 74 N -2.61 1.26 -0.81 8.23 5.02 -1.26 -1.72 118.16 126.27 3kxp n LYS 74 Ca 0.15 -3.80 -0.33 0.00 -2.02 0.00 0.00 58.31 52.31 3kxp n LYS 74 Cb 0.49 -1.76 0.13 0.00 -0.02 0.00 0.00 35.03 33.86 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 -0.28 0.21 1.97 -0.04 -1.26 -4.88 135.00 132.38 3kxp n PRO 75 Ca 0.25 -0.03 0.05 0.00 -0.04 0.00 0.00 63.50 63.73 3kxp n PRO 75 Cb 0.46 -1.95 0.48 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.54 0.00 0.00 0.54 4.81 -2.02 -3.47 114.58 112.90 3kxp h GLU 76 Ca -0.43 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.75 3kxp h GLU 76 Cb 1.28 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 3kxp h GLU 76 CO 0.36 0.25 0.03 -2.37 -0.73 0.00 0.00 179.01 176.55 3kxp n THR 77 N -4.08 0.00 -0.94 0.32 5.66 -1.26 -4.94 114.28 109.04 3kxp n THR 77 Ca -0.02 -0.40 0.00 0.00 -3.05 0.00 0.00 64.05 60.58 3kxp n THR 77 Cb 0.32 0.31 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 3kxp n THR 77 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3kxp n GLY 78 N -0.17 0.89 1.55 1.09 0.00 -1.26 -5.03 105.19 102.26 3kxp n GLY 78 Ca -0.01 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.91 1.68 -2.78 1.61 4.02 -1.26 -4.72 117.16 114.80 3kxp n TYR 79 Ca 0.00 -1.93 -0.20 0.00 -0.01 0.00 0.00 57.90 55.76 3kxp n TYR 79 Cb 0.31 -0.30 0.05 0.00 -0.02 0.00 0.00 39.34 39.38 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 -3.40 2.39 0.15 -0.72 0.41 -1.26 -4.35 118.70 111.92 3kxp s GLU 80 Ca 0.45 -1.10 -0.26 0.00 -0.41 0.00 0.00 54.97 53.65 3kxp s GLU 80 Cb 0.39 -2.55 0.00 0.00 -1.78 0.00 0.00 34.13 30.20 3kxp s GLU 80 CO -0.01 -0.78 1.59 0.00 -0.49 0.00 0.00 175.26 175.57 3kxp h ALA 81 N 0.10 -0.37 -0.75 5.21 0.00 -1.97 -2.05 119.26 119.44 3kxp h ALA 81 Ca -0.38 0.05 0.13 0.00 0.00 0.00 0.00 54.91 54.71 3kxp h ALA 81 Cb 1.29 0.74 -0.09 0.00 0.00 0.00 0.00 17.79 19.73 3kxp h ALA 81 CO 0.46 -0.82 0.32 -0.91 0.00 0.00 0.00 179.25 178.30 3kxp h ASN 82 N -0.36 0.33 0.15 0.00 -0.26 -1.98 0.19 115.58 113.66 3kxp h ASN 82 Ca 0.13 0.10 0.01 0.00 -0.56 0.00 0.00 56.30 55.98 3kxp h ASN 82 Cb 0.57 0.06 -0.03 0.00 -1.06 0.00 0.00 38.32 37.86 3kxp h ASN 82 CO -0.47 0.14 -0.26 0.44 -1.06 0.00 0.00 177.43 176.22 3kxp h ASP 83 N 0.48 -0.74 -0.22 5.81 3.32 -1.69 0.27 116.42 123.66 3kxp h ASP 83 Ca 0.40 0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.47 3kxp h ASP 83 Cb 0.57 0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 3kxp h ASP 83 CO -0.37 -0.36 -0.05 1.88 -1.72 0.00 0.00 179.24 178.62 3kxp h TYR 84 N -0.49 0.57 -0.37 4.55 -1.99 -0.99 -2.34 116.97 115.91 3kxp h TYR 84 Ca 0.02 -0.07 -0.06 0.00 2.00 0.00 0.00 58.73 60.62 3kxp h TYR 84 Cb 0.50 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 39.06 3kxp h TYR 84 CO -0.22 0.59 0.01 0.00 -0.00 0.00 0.00 178.16 178.53 3kxp h ALA 85 N 1.44 0.49 -0.14 3.88 0.00 -0.05 -2.68 119.26 122.21 3kxp h ALA 85 Ca 0.10 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3kxp h ALA 85 Cb 0.40 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3kxp h ALA 85 CO 0.02 0.26 -0.20 -0.44 0.00 0.00 0.00 179.25 178.88 3kxp h ASP 86 N 0.46 0.22 -0.89 0.00 3.32 -0.32 -2.10 116.42 117.12 3kxp h ASP 86 Ca 0.10 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 3kxp h ASP 86 Cb 0.45 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 3kxp h ASP 86 CO 0.02 0.44 0.55 0.44 -1.72 0.00 0.00 179.24 178.97 3kxp h ASP 87 N 0.21 1.05 -0.25 6.45 3.45 -1.12 -0.58 116.42 125.64 3kxp h ASP 87 Ca 0.04 -0.05 -0.04 0.00 0.43 0.00 0.00 57.03 57.40 3kxp h ASP 87 Cb 0.48 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.98 3kxp h ASP 87 CO 0.03 0.80 -0.00 0.40 -1.57 0.00 0.00 179.24 178.90 3kxp h ILE 88 N 1.22 1.26 -0.11 0.35 2.04 -1.07 -1.29 117.51 119.91 3kxp h ILE 88 Ca 0.32 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.27 3kxp h ILE 88 Cb -0.07 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 3kxp h ILE 88 CO -0.06 0.29 0.07 0.00 0.00 0.00 0.00 178.15 178.44 3kxp h ALA 89 N 0.81 0.14 -0.67 1.87 0.00 -1.21 -0.36 119.26 119.85 3kxp h ALA 89 Ca 0.07 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.06 3kxp h ALA 89 Cb 0.42 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 3kxp h ALA 89 CO 0.01 -0.36 0.29 0.78 0.00 0.00 0.00 179.25 179.97 3kxp h GLY 90 N 0.14 0.97 1.20 0.00 0.00 -1.01 -0.19 103.07 104.19 3kxp h GLY 90 Ca 0.04 -0.16 -0.12 0.00 0.00 0.00 0.00 47.33 47.09 3kxp h GLY 90 CO -0.01 0.00 -0.19 -2.00 0.00 0.00 0.00 176.54 174.34 3kxp h LEU 91 N 0.49 0.93 -0.42 3.11 7.12 -0.85 0.45 115.31 126.14 3kxp h LEU 91 Ca 0.34 -0.33 -0.05 0.00 0.13 0.00 0.00 57.88 57.96 3kxp h LEU 91 Cb 0.41 -0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 40.27 3kxp h LEU 91 CO -0.30 1.09 0.05 0.40 -0.13 0.00 0.00 178.44 179.55 3kxp h ILE 92 N 0.80 1.25 -0.30 4.05 2.04 -0.41 -0.34 117.51 124.60 3kxp h ILE 92 Ca 0.11 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 3kxp h ILE 92 Cb 0.74 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3kxp h ILE 92 CO 0.06 0.31 0.13 0.03 0.00 0.00 0.00 178.15 178.68 3kxp h ARG 93 N 0.56 0.43 -0.43 2.37 3.08 -0.87 -1.73 114.38 117.80 3kxp h ARG 93 Ca 0.13 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 3kxp h ARG 93 Cb 0.40 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3kxp h ARG 93 CO 0.01 0.43 0.09 1.15 -1.07 0.00 0.00 179.97 180.58 3kxp h THR 94 N 0.33 1.20 0.00 2.04 2.02 -0.77 -1.82 112.91 115.91 3kxp h THR 94 Ca 0.10 -0.72 -0.06 0.00 0.77 0.00 0.00 66.41 66.50 3kxp h THR 94 Cb 0.15 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 3kxp h THR 94 CO -0.01 0.26 -0.30 -0.07 0.37 0.00 0.00 175.52 175.77 3kxp h LEU 95 N 0.62 0.00 -3.20 2.58 3.38 -0.88 -3.47 115.31 114.33 3kxp h LEU 95 Ca 0.14 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.63 3kxp h LEU 95 Cb 0.26 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 3kxp h LEU 95 CO -0.00 0.30 -0.78 0.00 0.09 0.00 0.00 178.44 178.05 3kxp n ALA 96 N -2.22 -2.09 -1.35 1.53 0.00 -0.67 -4.83 120.51 110.89 3kxp n ALA 96 Ca 0.01 -0.42 0.08 0.00 0.00 0.00 0.00 53.44 53.11 3kxp n ALA 96 Cb 0.55 -1.49 0.13 0.00 0.00 0.00 0.00 19.45 18.64 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 -4.05 1.10 0.00 0.00 1.74 -1.26 -5.11 116.66 109.08 3kxp n ARG 97 Ca -0.15 -2.46 0.00 0.00 -0.77 0.00 0.00 57.85 54.47 3kxp n ARG 97 Cb 0.48 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 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 -1.11 0.78 3.69 -0.13 0.00 -1.26 -4.50 105.19 102.66 3kxp n GLY 98 Ca 0.14 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.88 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 1.23 1.54 -4.28 1.61 1.44 -1.26 -4.83 115.22 110.67 3kxp n HIS 99 Ca 0.00 0.42 -0.29 0.00 -2.01 0.00 0.00 57.72 55.84 3kxp n HIS 99 Cb 0.00 -2.21 -0.11 0.00 0.12 0.00 0.00 29.99 27.79 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 -1.52 2.79 -0.22 1.59 0.00 0.03 -4.34 121.76 120.09 3kxp s ALA 100 Ca 0.80 -1.33 -0.19 0.00 0.00 0.00 0.00 51.96 51.24 3kxp s ALA 100 Cb -0.37 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 3kxp s ALA 100 CO 0.43 0.60 0.55 0.42 0.00 0.00 0.00 175.76 177.77 3kxp s ILE 101 N -1.21 5.06 -0.27 0.00 1.01 -0.53 -1.17 121.20 124.09 3kxp s ILE 101 Ca 0.20 1.00 -0.12 0.00 0.00 0.00 0.00 60.65 61.73 3kxp s ILE 101 Cb -0.11 -3.87 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 3kxp s ILE 101 CO 0.12 0.12 0.22 -0.76 0.00 0.00 0.00 174.94 174.64 3kxp s LEU 102 N 1.99 4.03 -0.38 2.97 1.02 0.70 -0.80 118.68 128.22 3kxp s LEU 102 Ca 0.24 0.07 -0.03 0.00 0.02 0.00 0.00 54.13 54.43 3kxp s LEU 102 Cb -0.16 -2.18 0.09 0.00 0.02 0.00 0.00 46.19 43.96 3kxp s LEU 102 CO 0.09 -0.06 0.15 -0.69 0.02 0.00 0.00 176.35 175.86 3kxp s VAL 103 N 1.74 3.30 0.03 -1.59 1.01 0.14 0.17 120.40 125.20 3kxp s VAL 103 Ca 0.09 -1.77 0.08 0.00 0.00 0.00 0.00 61.98 60.37 3kxp s VAL 103 Cb -0.16 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 3kxp s VAL 103 CO 0.10 -0.49 -0.24 -0.83 0.00 0.00 0.00 175.10 173.64 3kxp s GLY 104 N 1.66 1.25 -0.22 4.51 0.00 -0.67 -1.26 107.32 112.60 3kxp s GLY 104 Ca 0.04 -1.14 -0.04 0.00 0.00 0.00 0.00 44.72 43.57 3kxp s GLY 104 CO -0.02 -1.03 -0.03 -1.58 0.00 0.00 0.00 173.10 170.44 3kxp s HIS 105 N -0.75 2.98 0.00 1.90 2.46 -0.11 -0.47 115.29 121.30 3kxp s HIS 105 Ca 0.10 -0.80 0.00 0.00 0.47 0.00 0.00 55.06 54.82 3kxp s HIS 105 Cb -0.09 -2.11 0.00 0.00 -0.13 0.00 0.00 32.58 30.25 3kxp s HIS 105 CO 0.01 -0.47 0.00 0.45 -2.47 0.00 0.00 174.74 172.26 3kxp n SER 106 N 4.69 0.00 -0.24 9.88 2.88 0.07 -1.25 113.62 129.65 3kxp n SER 106 Ca -0.18 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.41 3kxp n SER 106 Cb 0.51 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.13 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 -0.18 -0.68 2.46 5.85 -1.90 0.29 115.31 121.16 3kxp h LEU 107 Ca 0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3kxp h LEU 107 Cb 0.00 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3kxp h LEU 107 CO 0.00 -0.11 0.43 1.23 -0.34 0.00 0.00 178.44 179.65 3kxp h GLY 108 N 0.17 0.96 0.93 3.75 0.00 -0.55 -0.25 103.07 108.08 3kxp h GLY 108 Ca 0.40 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 3kxp h GLY 108 CO -0.58 0.37 0.10 0.00 0.00 0.00 0.00 176.54 176.43 3kxp h ALA 109 N 1.23 0.25 -0.69 3.60 0.00 -0.69 0.17 119.26 123.12 3kxp h ALA 109 Ca 0.25 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3kxp h ALA 109 Cb -0.07 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 3kxp h ALA 109 CO -0.05 -0.21 0.43 -0.09 0.00 0.00 0.00 179.25 179.33 3kxp h ARG 110 N 0.19 0.80 -0.35 0.00 1.12 -0.37 -1.83 114.38 113.95 3kxp h ARG 110 Ca 0.07 -0.05 -0.03 0.00 -1.11 0.00 0.00 59.98 58.86 3kxp h ARG 110 Cb 0.09 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 29.86 3kxp h ARG 110 CO -0.01 0.53 0.12 -0.91 -3.11 0.00 0.00 179.97 176.59 3kxp h ASN 111 N 0.83 0.50 -0.48 -3.80 2.35 -0.62 -2.46 115.58 111.89 3kxp h ASN 111 Ca 0.28 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3kxp h ASN 111 Cb 0.05 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 3kxp h ASN 111 CO -0.12 0.56 0.25 0.28 -1.65 0.00 0.00 177.43 176.75 3kxp h SER 112 N 0.41 0.62 -0.31 5.81 0.02 -0.30 -0.42 113.55 119.37 3kxp h SER 112 Ca 0.11 -0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 3kxp h SER 112 Cb 0.23 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 3kxp h SER 112 CO -0.01 0.55 -0.08 0.58 -1.14 0.00 0.00 176.83 176.73 3kxp h VAL 113 N 0.64 1.25 -0.48 2.27 2.07 -1.33 0.41 116.25 121.08 3kxp h VAL 113 Ca 0.17 -1.09 -0.06 0.00 0.82 0.00 0.00 66.70 66.55 3kxp h VAL 113 Cb 0.08 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3kxp h VAL 113 CO -0.02 0.37 0.08 0.74 0.02 0.00 0.00 177.57 178.76 3kxp h THR 114 N 0.65 1.25 -0.14 2.57 2.02 -1.16 -2.09 112.91 116.01 3kxp h THR 114 Ca 0.12 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 66.38 3kxp h THR 114 Cb 0.53 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 3kxp h THR 114 CO 0.03 0.32 0.07 0.00 0.37 0.00 0.00 175.52 176.31 3kxp h ALA 115 N 0.97 0.18 -0.87 6.16 0.00 -0.63 -2.00 119.26 123.07 3kxp h ALA 115 Ca 0.15 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3kxp h ALA 115 Cb 0.38 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3kxp h ALA 115 CO 0.01 -0.26 0.57 0.00 0.00 0.00 0.00 179.25 179.57 3kxp h ALA 116 N 0.94 1.47 0.00 0.00 0.00 -0.83 0.62 119.26 121.46 3kxp h ALA 116 Ca 0.05 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3kxp h ALA 116 Cb 0.11 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3kxp h ALA 116 CO -0.01 0.44 -0.51 0.00 0.00 0.00 0.00 179.25 179.17 3kxp h ALA 117 N 1.50 0.87 0.00 0.00 0.00 -1.20 -2.88 119.26 117.54 3kxp h ALA 117 Ca 0.35 -0.47 -0.20 0.00 0.00 0.00 0.00 54.91 54.59 3kxp h ALA 117 Cb 0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3kxp h ALA 117 CO -0.11 0.64 -1.81 1.17 0.00 0.00 0.00 179.25 179.14 3kxp n LYS 118 N -3.52 0.65 -3.10 0.00 4.81 -0.77 -4.59 118.16 111.64 3kxp n LYS 118 Ca -0.00 0.08 -0.23 0.00 -0.87 0.00 0.00 58.31 57.29 3kxp n LYS 118 Cb 0.62 -1.67 -0.04 0.00 0.02 0.00 0.00 35.03 33.95 3kxp n LYS 118 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3kxp n TYR 119 N -2.74 2.21 -0.35 5.64 4.02 0.21 -4.97 117.16 121.18 3kxp n TYR 119 Ca -0.16 -3.91 0.03 0.00 -0.01 0.00 0.00 57.90 53.86 3kxp n TYR 119 Cb 0.89 -0.46 0.10 0.00 -0.02 0.00 0.00 39.34 39.85 3kxp n TYR 119 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3kxp h PRO 120 N 3.20 -0.00 0.00 -0.72 0.11 -1.72 -0.81 132.00 132.05 3kxp h PRO 120 Ca 0.12 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.18 3kxp h PRO 120 Cb 0.72 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.83 3kxp h PRO 120 CO 0.67 -0.00 -0.23 -0.44 -0.21 0.00 0.00 178.00 177.79 3kxp h ASP 121 N -0.01 0.00 1.81 -2.05 3.45 -1.93 -2.99 116.42 114.71 3kxp h ASP 121 Ca 0.43 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.89 3kxp h ASP 121 Cb 0.67 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.44 3kxp h ASP 121 CO -0.99 0.23 -0.01 -0.07 -1.57 0.00 0.00 179.24 176.83 3kxp h LEU 122 N 0.00 0.00 -8.12 1.55 3.38 -1.54 -3.43 115.31 107.15 3kxp h LEU 122 Ca -0.00 -0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.37 3kxp h LEU 122 Cb 0.41 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 40.82 3kxp h LEU 122 CO 0.03 0.00 -0.84 0.54 0.09 0.00 0.00 178.44 178.26 3kxp s VAL 123 N -3.17 1.56 -0.03 1.22 0.11 -1.13 -0.79 120.40 118.17 3kxp s VAL 123 Ca 0.08 -0.72 -0.23 0.00 -2.93 0.00 0.00 61.98 58.19 3kxp s VAL 123 Cb 0.08 -1.39 -0.24 0.00 -1.53 0.00 0.00 36.38 33.30 3kxp s VAL 123 CO 0.65 0.45 1.04 -0.09 -3.33 0.00 0.00 175.10 173.82 3kxp h ARG 124 N 6.98 0.25 -2.24 1.54 2.43 -1.40 -3.46 114.38 118.48 3kxp h ARG 124 Ca -0.27 -0.28 0.13 0.00 -0.81 0.00 0.00 59.98 58.76 3kxp h ARG 124 Cb 1.20 0.08 -0.14 0.00 -0.42 0.00 0.00 29.97 30.69 3kxp h ARG 124 CO 0.48 0.99 0.51 -1.54 -1.51 0.00 0.00 179.97 178.91 3kxp s SER 125 N -6.48 -0.32 0.00 -3.80 1.04 -1.25 -4.21 113.70 98.69 3kxp s SER 125 Ca -0.15 -0.07 0.05 0.00 0.48 0.00 0.00 55.95 56.26 3kxp s SER 125 Cb 0.02 0.39 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 3kxp s SER 125 CO 0.77 -0.64 -0.15 -0.69 0.98 0.00 0.00 173.24 173.51 3kxp s VAL 126 N -3.10 1.15 -0.44 5.02 1.01 -0.02 -0.22 120.40 123.81 3kxp s VAL 126 Ca 0.07 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.31 3kxp s VAL 126 Cb -0.01 -0.98 0.12 0.00 0.00 0.00 0.00 36.38 35.51 3kxp s VAL 126 CO -0.07 0.24 0.21 -0.69 0.00 0.00 0.00 175.10 174.79 3kxp s VAL 127 N -0.48 2.99 -0.78 2.92 1.01 0.13 -0.67 120.40 125.52 3kxp s VAL 127 Ca 0.05 -2.44 -0.21 0.00 0.00 0.00 0.00 61.98 59.37 3kxp s VAL 127 Cb -0.06 -3.07 0.09 0.00 0.00 0.00 0.00 36.38 33.33 3kxp s VAL 127 CO -0.00 -0.71 1.06 0.00 0.00 0.00 0.00 175.10 175.45 3kxp s ALA 128 N 0.70 3.16 -0.55 5.51 0.00 -0.31 -1.66 121.76 128.61 3kxp s ALA 128 Ca 0.12 -2.17 -0.24 0.00 0.00 0.00 0.00 51.96 49.67 3kxp s ALA 128 Cb -0.22 -3.98 0.04 0.00 0.00 0.00 0.00 23.12 18.96 3kxp s ALA 128 CO -0.05 -2.92 0.91 0.42 0.00 0.00 0.00 175.76 174.13 3kxp s ILE 129 N 3.71 4.43 -0.99 0.00 1.01 0.38 -1.82 121.20 127.93 3kxp s ILE 129 Ca 0.28 0.22 -0.02 0.00 0.00 0.00 0.00 60.65 61.13 3kxp s ILE 129 Cb -0.11 -4.52 -0.02 0.00 0.01 0.00 0.00 42.46 37.82 3kxp s ILE 129 CO 0.02 -1.08 0.84 -0.67 0.00 0.00 0.00 174.94 174.05 3kxp n ASP 130 N 7.34 -3.33 -3.15 3.58 2.03 0.16 -0.75 116.55 122.43 3kxp n ASP 130 Ca 0.01 -0.56 0.05 0.00 0.52 0.00 0.00 54.79 54.81 3kxp n ASP 130 Cb 0.47 -4.51 -0.01 0.00 -0.72 0.00 0.00 41.12 36.36 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 -3.32 -1.04 0.47 -0.67 2.19 -1.26 -4.19 117.98 110.15 3kxp s PHE 131 Ca 0.13 0.80 0.02 0.00 0.33 0.00 0.00 56.93 58.22 3kxp s PHE 131 Cb -0.02 0.25 -0.02 0.00 -1.31 0.00 0.00 43.02 41.93 3kxp s PHE 131 CO 0.63 -0.59 0.07 0.95 1.83 0.00 0.00 175.22 178.11 3kxp s THR 132 N 2.91 0.84 1.02 0.12 -4.23 -1.26 -4.60 115.64 110.44 3kxp s THR 132 Ca 0.15 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.48 3kxp s THR 132 Cb -0.08 -2.22 0.23 0.00 1.34 0.00 0.00 72.50 71.77 3kxp s THR 132 CO -0.20 0.00 1.33 -2.84 -0.54 0.00 0.00 174.62 172.36 3kxp s PRO 133 N -3.78 0.16 -0.06 3.99 0.02 -1.26 -4.20 135.00 129.87 3kxp s PRO 133 Ca 0.14 -0.48 0.00 0.00 0.02 0.00 0.00 61.00 60.68 3kxp s PRO 133 Cb 0.02 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.74 3kxp s PRO 133 CO 0.08 -2.73 0.00 0.66 -0.33 0.00 0.00 177.00 174.69 3kxp n TYR 134 N -3.97 0.00 -1.79 6.54 4.02 -1.26 -4.80 117.16 115.90 3kxp n TYR 134 Ca 0.16 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.64 3kxp n TYR 134 Cb 0.59 -1.20 -0.02 0.00 -0.02 0.00 0.00 39.34 38.69 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 -1.47 2.15 0.47 -0.72 1.01 -1.26 -4.72 121.20 116.66 3kxp s ILE 135 Ca 0.00 0.12 -0.22 0.00 0.00 0.00 0.00 60.65 60.55 3kxp s ILE 135 Cb 0.00 -3.07 -0.08 0.00 0.01 0.00 0.00 42.46 39.32 3kxp s ILE 135 CO 0.00 0.01 1.11 -1.83 0.00 0.00 0.00 174.94 174.24 3kxp s GLU 136 N 0.21 3.77 0.27 2.79 1.03 -1.26 -4.93 118.70 120.59 3kxp s GLU 136 Ca 0.67 1.61 -0.01 0.00 0.03 0.00 0.00 54.97 57.28 3kxp s GLU 136 Cb -0.48 -2.30 0.58 0.00 -0.80 0.00 0.00 34.13 31.14 3kxp s GLU 136 CO 0.41 -0.50 1.68 1.15 -1.33 0.00 0.00 175.26 176.67 3kxp h THR 137 N 1.75 0.46 -0.98 1.83 2.02 -2.00 -1.50 112.91 114.49 3kxp h THR 137 Ca -0.49 -0.10 0.06 0.00 0.77 0.00 0.00 66.41 66.64 3kxp h THR 137 Cb 1.24 0.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.72 3kxp h THR 137 CO 0.60 0.05 0.64 -0.33 0.37 0.00 0.00 175.52 176.85 3kxp h GLU 138 N 0.29 1.14 -0.57 6.66 3.07 -1.99 0.22 114.58 123.42 3kxp h GLU 138 Ca 0.48 -0.07 -0.10 0.00 -0.50 0.00 0.00 59.36 59.18 3kxp h GLU 138 Cb 0.88 -0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 28.52 3kxp h GLU 138 CO -0.55 0.76 -0.03 0.00 -1.40 0.00 0.00 179.01 177.79 3kxp h ALA 139 N 1.43 0.88 0.00 3.43 0.00 -1.58 -1.62 119.26 121.80 3kxp h ALA 139 Ca 0.41 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 3kxp h ALA 139 Cb 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3kxp h ALA 139 CO -0.16 0.66 -0.69 -0.07 0.00 0.00 0.00 179.25 178.99 3kxp h LEU 140 N 0.92 0.00 -0.66 0.00 3.38 -1.20 -2.44 115.31 115.31 3kxp h LEU 140 Ca 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3kxp h LEU 140 Cb 0.57 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 3kxp h LEU 140 CO 0.03 0.69 0.29 0.44 0.09 0.00 0.00 178.44 179.98 3kxp h ASP 141 N 0.00 0.89 -0.42 -0.43 3.32 -0.14 -0.66 116.42 118.98 3kxp h ASP 141 Ca -0.01 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 56.85 3kxp h ASP 141 Cb 1.26 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 3kxp h ASP 141 CO 0.09 0.80 0.12 0.00 -1.72 0.00 0.00 179.24 178.53 3kxp h ALA 142 N 1.13 0.56 -0.47 3.45 0.00 -1.15 -0.78 119.26 121.99 3kxp h ALA 142 Ca 0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3kxp h ALA 142 Cb 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3kxp h ALA 142 CO -0.02 0.22 0.17 1.25 0.00 0.00 0.00 179.25 180.87 3kxp h LEU 143 N 0.55 0.66 -0.81 0.00 6.46 -1.21 -2.99 115.31 117.97 3kxp h LEU 143 Ca 0.13 -0.18 -0.08 0.00 -0.12 0.00 0.00 57.88 57.63 3kxp h LEU 143 Cb 0.29 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.03 3kxp h LEU 143 CO -0.00 0.66 0.01 -0.08 -0.62 0.00 0.00 178.44 178.41 3kxp h GLU 144 N 0.62 0.91 -0.07 1.25 4.81 -0.97 -2.12 114.58 119.01 3kxp h GLU 144 Ca 0.15 -0.26 -0.07 0.00 -0.13 0.00 0.00 59.36 59.05 3kxp h GLU 144 Cb 0.22 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3kxp h GLU 144 CO -0.01 0.90 -0.29 0.00 -0.73 0.00 0.00 179.01 178.87 3kxp h ALA 145 N 1.16 1.38 -0.26 2.92 0.00 -1.00 -3.19 119.26 120.27 3kxp h ALA 145 Ca 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3kxp h ALA 145 Cb 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3kxp h ALA 145 CO 0.02 0.44 0.00 2.89 0.00 0.00 0.00 179.25 182.61 3kxp n ARG 146 N -4.15 2.65 -0.18 0.00 1.85 -1.16 -4.70 116.66 110.98 3kxp n ARG 146 Ca -0.01 -1.88 0.11 0.00 -1.00 0.00 0.00 57.85 55.07 3kxp n ARG 146 Cb 0.37 -1.22 0.43 0.00 -1.05 0.00 0.00 32.46 30.99 3kxp n ARG 146 CO 0.00 0.00 0.00 -0.24 -0.01 0.00 0.00 177.63 177.38 3kxp h VAL 147 N 1.70 0.89 -0.31 8.89 3.04 -1.37 -1.87 116.25 127.22 3kxp h VAL 147 Ca 0.00 -0.20 -0.06 0.00 -1.01 0.00 0.00 66.70 65.43 3kxp h VAL 147 Cb 0.66 0.27 -0.04 0.00 -2.01 0.00 0.00 31.29 30.17 3kxp h VAL 147 CO 0.00 0.10 0.00 0.59 -1.01 0.00 0.00 177.57 177.26 3kxp n ASN 148 N -4.50 3.54 0.20 3.17 5.03 -1.26 -4.52 115.26 116.92 3kxp n ASN 148 Ca 0.13 -3.23 0.14 0.00 0.87 0.00 0.00 54.58 52.50 3kxp n ASN 148 Cb 0.40 -0.58 0.67 0.00 -1.02 0.00 0.00 39.78 39.24 3kxp n ASN 148 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kxp h ALA 149 N 1.58 1.00 0.00 5.41 0.00 -1.64 -1.07 119.26 124.55 3kxp h ALA 149 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kxp h ALA 149 Cb 1.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3kxp h ALA 149 CO 0.30 0.00 -0.65 0.41 0.00 0.00 0.00 179.25 179.30 3kxp n GLY 150 N -0.49 -1.22 3.58 0.00 0.00 -1.26 -4.70 105.19 101.09 3kxp n GLY 150 Ca 0.00 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 3kxp n GLY 150 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kxp s SER 151 N -3.24 5.85 0.27 1.61 0.15 -0.41 -4.62 113.70 113.31 3kxp s SER 151 Ca 0.09 -1.81 -0.16 0.00 0.70 0.00 0.00 55.95 54.77 3kxp s SER 151 Cb 0.16 -2.58 0.01 0.00 -1.71 0.00 0.00 66.02 61.90 3kxp s SER 151 CO 0.74 -2.19 0.58 0.00 1.20 0.00 0.00 173.24 173.57 3kxp s GLN 152 N 5.57 1.69 -0.46 5.44 -2.07 -1.26 -5.09 119.66 123.48 3kxp s GLN 152 Ca 0.61 -1.19 -0.19 0.00 -1.82 0.00 0.00 55.36 52.77 3kxp s GLN 152 Cb 0.00 0.53 0.03 0.00 -1.09 0.00 0.00 33.01 32.49 3kxp s GLN 152 CO 0.07 -0.74 0.59 -1.17 -1.32 0.00 0.00 175.29 172.73 3kxp s LEU 153 N -2.99 4.72 0.14 2.60 2.96 -1.26 -4.52 118.68 120.33 3kxp s LEU 153 Ca 0.18 -0.59 -0.20 0.00 -0.22 0.00 0.00 54.13 53.30 3kxp s LEU 153 Cb -0.03 -2.56 -0.07 0.00 0.50 0.00 0.00 46.19 44.03 3kxp s LEU 153 CO 0.09 -0.77 0.65 -0.36 -1.32 0.00 0.00 176.35 174.64 3kxp s PHE 154 N 2.61 3.77 0.15 5.38 0.40 0.59 -4.89 117.98 126.01 3kxp s PHE 154 Ca 0.18 1.36 -0.12 0.00 -0.60 0.00 0.00 56.93 57.75 3kxp s PHE 154 Cb -0.16 -2.57 0.02 0.00 0.51 0.00 0.00 43.02 40.82 3kxp s PHE 154 CO 0.16 0.50 1.60 1.49 0.70 0.00 0.00 175.22 179.67 3kxp h GLU 155 N 4.13 0.91 -2.77 0.44 4.81 -1.87 0.32 114.58 120.55 3kxp h GLU 155 Ca -0.49 -0.29 0.08 0.00 -0.13 0.00 0.00 59.36 58.53 3kxp h GLU 155 Cb 1.21 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 3kxp h GLU 155 CO 0.65 0.94 0.37 0.16 -0.73 0.00 0.00 179.01 180.40 3kxp s ASP 156 N -6.41 -0.09 0.50 1.04 3.84 -1.26 -4.54 116.67 109.75 3kxp s ASP 156 Ca -0.12 -0.78 0.18 0.00 -0.00 0.00 0.00 52.55 51.83 3kxp s ASP 156 Cb 0.12 0.68 1.24 0.00 -1.38 0.00 0.00 42.92 43.58 3kxp s ASP 156 CO 0.83 -1.31 2.08 -0.29 -0.00 0.00 0.00 175.17 176.48 3kxp h ILE 157 N 2.00 0.92 -0.81 2.11 2.10 -1.96 -0.77 117.51 121.10 3kxp h ILE 157 Ca -0.27 -0.03 -0.02 0.00 1.08 0.00 0.00 64.86 65.62 3kxp h ILE 157 Cb 1.24 0.82 -0.04 0.00 -1.09 0.00 0.00 36.82 37.75 3kxp h ILE 157 CO 0.33 0.02 0.43 0.50 -1.08 0.00 0.00 178.15 178.34 3kxp h LYS 158 N 0.10 1.14 -0.07 2.19 3.64 -2.00 -1.25 116.57 120.32 3kxp h LYS 158 Ca 0.12 -0.14 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 3kxp h LYS 158 Cb 0.36 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3kxp h LYS 158 CO -0.01 0.85 -0.31 0.00 -2.27 0.00 0.00 179.45 177.70 3kxp h ALA 159 N 1.22 1.35 -0.32 5.00 0.00 -1.55 -1.58 119.26 123.39 3kxp h ALA 159 Ca 0.28 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3kxp h ALA 159 Cb 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3kxp h ALA 159 CO -0.04 0.46 -0.18 0.28 0.00 0.00 0.00 179.25 179.77 3kxp h VAL 160 N 0.11 1.29 -0.49 0.00 2.07 -0.94 -1.79 116.25 116.51 3kxp h VAL 160 Ca 0.01 -1.30 -0.10 0.00 0.82 0.00 0.00 66.70 66.13 3kxp h VAL 160 Cb 0.62 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 3kxp h VAL 160 CO 0.04 0.42 -0.07 -0.33 0.02 0.00 0.00 177.57 177.65 3kxp h GLU 161 N 0.46 0.91 -0.22 1.57 5.08 -1.02 0.16 114.58 121.52 3kxp h GLU 161 Ca 0.07 -0.33 0.02 0.00 -1.00 0.00 0.00 59.36 58.12 3kxp h GLU 161 Cb 0.72 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 3kxp h GLU 161 CO 0.05 0.98 0.07 0.00 -1.00 0.00 0.00 179.01 179.11 3kxp h ALA 162 N 0.90 0.24 -0.09 3.43 0.00 -1.25 0.41 119.26 122.90 3kxp h ALA 162 Ca 0.13 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3kxp h ALA 162 Cb 0.62 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3kxp h ALA 162 CO 0.04 -0.35 -0.03 -0.92 0.00 0.00 0.00 179.25 177.99 3kxp h TYR 163 N 0.17 -0.07 0.09 0.00 3.20 -1.11 -2.10 116.97 117.15 3kxp h TYR 163 Ca 0.10 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 3kxp h TYR 163 Cb 0.07 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.38 3kxp h TYR 163 CO -0.12 -0.05 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.23 3kxp h LEU 164 N -0.02 -0.10 -1.34 2.82 3.38 -0.55 -1.40 115.31 118.11 3kxp h LEU 164 Ca 0.05 -0.16 0.20 0.00 0.09 0.00 0.00 57.88 58.06 3kxp h LEU 164 Cb 0.09 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.78 3kxp h LEU 164 CO -0.10 0.10 0.61 0.00 0.09 0.00 0.00 178.44 179.13 3kxp h ALA 165 N 0.60 2.03 -0.03 1.53 0.00 -0.14 0.27 119.26 123.52 3kxp h ALA 165 Ca -0.01 0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 3kxp h ALA 165 Cb 0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3kxp h ALA 165 CO 0.02 -0.35 -0.80 0.78 0.00 0.00 0.00 179.25 178.90 3kxp h GLY 166 N 0.53 0.33 1.86 0.00 0.00 -1.06 -2.69 103.07 102.04 3kxp h GLY 166 Ca 0.51 -0.52 -0.23 0.00 0.00 0.00 0.00 47.33 47.09 3kxp h GLY 166 CO -0.24 0.46 -1.10 -0.09 0.00 0.00 0.00 176.54 175.57 3kxp h ARG 167 N 0.19 0.06 -2.16 4.80 2.43 0.06 -3.37 114.38 116.39 3kxp h ARG 167 Ca -0.04 -0.11 -0.59 0.00 -0.81 0.00 0.00 59.98 58.43 3kxp h ARG 167 Cb 1.39 0.04 -0.41 0.00 -0.42 0.00 0.00 29.97 30.57 3kxp h ARG 167 CO 0.13 1.02 -0.69 0.66 -1.51 0.00 0.00 179.97 179.59 3kxp n TYR 168 N -3.38 2.93 -0.09 2.20 4.02 0.77 -4.96 117.16 118.65 3kxp n TYR 168 Ca -0.03 -4.05 0.25 0.00 -0.01 0.00 0.00 57.90 54.07 3kxp n TYR 168 Cb 0.97 -0.52 0.72 0.00 -0.02 0.00 0.00 39.34 40.48 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 4.13 0.00 -0.00 -0.72 0.13 -1.65 -1.95 132.00 131.93 3kxp h PRO 169 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3kxp h PRO 169 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3kxp h PRO 169 CO 0.77 0.00 -0.54 0.09 -0.23 0.00 0.00 178.00 178.09 3kxp n ASN 170 N -4.17 0.74 -4.70 1.44 3.02 -1.26 -4.89 115.26 105.44 3kxp n ASN 170 Ca 0.15 -0.54 -0.42 0.00 -0.03 0.00 0.00 54.58 53.74 3kxp n ASN 170 Cb 0.84 0.37 -0.03 0.00 -0.61 0.00 0.00 39.78 40.35 3kxp n ASN 170 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kxp s ILE 171 N -2.89 4.68 0.39 2.41 1.01 -0.74 -4.79 121.20 121.27 3kxp s ILE 171 Ca 0.13 1.93 -0.26 0.00 0.00 0.00 0.00 60.65 62.45 3kxp s ILE 171 Cb 0.18 -4.24 -0.11 0.00 0.01 0.00 0.00 42.46 38.30 3kxp s ILE 171 CO 0.69 0.10 1.29 -2.65 0.00 0.00 0.00 174.94 174.37 3kxp n PRO 172 N 4.29 2.04 -0.30 2.79 -0.02 -1.26 -4.71 135.00 137.82 3kxp n PRO 172 Ca 0.07 0.72 0.13 0.00 -2.02 0.00 0.00 63.50 62.41 3kxp n PRO 172 Cb 0.49 -2.38 0.28 0.00 -0.02 0.00 0.00 33.50 31.88 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 2.29 1.22 -0.77 3.55 0.00 -1.98 0.20 119.26 123.77 3kxp h ALA 173 Ca -0.47 0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.77 3kxp h ALA 173 Cb 1.29 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 19.42 3kxp h ALA 173 CO 0.61 -0.51 0.44 -0.44 0.00 0.00 0.00 179.25 179.35 3kxp h ASP 174 N 0.13 0.66 0.05 0.00 3.32 -1.99 0.12 116.42 118.70 3kxp h ASP 174 Ca 0.56 0.03 -0.15 0.00 0.02 0.00 0.00 57.03 57.49 3kxp h ASP 174 Cb 1.14 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 3kxp h ASP 174 CO -0.73 0.41 -0.53 0.00 -1.72 0.00 0.00 179.24 176.67 3kxp h ALA 175 N 1.40 0.74 -0.16 3.45 0.00 -1.02 -1.74 119.26 121.93 3kxp h ALA 175 Ca 0.35 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3kxp h ALA 175 Cb 0.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3kxp h ALA 175 CO -0.20 0.68 0.08 0.82 0.00 0.00 0.00 179.25 180.63 3kxp h ILE 176 N 0.41 1.11 -0.95 0.00 1.08 -0.22 -1.86 117.51 117.08 3kxp h ILE 176 Ca 0.01 -0.31 0.03 0.00 -0.39 0.00 0.00 64.86 64.21 3kxp h ILE 176 Cb 1.06 1.03 -0.06 0.00 -3.07 0.00 0.00 36.82 35.79 3kxp h ILE 176 CO 0.10 0.10 0.62 -0.09 -0.69 0.00 0.00 178.15 178.19 3kxp h ARG 177 N 0.14 1.16 -0.54 2.37 9.65 -0.68 0.73 114.38 127.21 3kxp h ARG 177 Ca 0.05 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 3kxp h ARG 177 Cb 0.09 -0.26 -0.03 0.00 -1.39 0.00 0.00 29.97 28.39 3kxp h ARG 177 CO -0.01 0.77 0.28 0.82 2.80 0.00 0.00 179.97 184.63 3kxp h ILE 178 N 1.20 1.19 -0.43 1.20 2.04 -0.99 -0.86 117.51 120.86 3kxp h ILE 178 Ca 0.38 -0.50 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 3kxp h ILE 178 Cb -0.00 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 3kxp h ILE 178 CO -0.12 0.21 0.08 0.03 0.00 0.00 0.00 178.15 178.35 3kxp h ARG 179 N 0.72 0.71 -0.62 2.37 3.08 -0.79 -2.06 114.38 117.79 3kxp h ARG 179 Ca 0.19 -0.18 0.05 0.00 0.07 0.00 0.00 59.98 60.11 3kxp h ARG 179 Cb 0.07 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 29.99 3kxp h ARG 179 CO -0.03 0.73 0.34 0.00 -1.07 0.00 0.00 179.97 179.94 3kxp h ALA 180 N 0.95 0.82 0.00 0.04 0.00 -0.52 -0.44 119.26 120.10 3kxp h ALA 180 Ca 0.13 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3kxp h ALA 180 Cb 0.36 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3kxp h ALA 180 CO 0.01 0.02 -0.42 0.93 0.00 0.00 0.00 179.25 179.78 3kxp h GLU 181 N 0.64 0.00 0.00 0.00 5.08 -1.09 -3.35 114.58 115.85 3kxp h GLU 181 Ca 0.27 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.31 3kxp h GLU 181 Cb 0.16 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 3kxp h GLU 181 CO -0.17 0.42 -2.34 -1.13 -1.00 0.00 0.00 179.01 174.79 3kxp n SER 182 N -3.25 0.00 -1.17 1.42 3.41 -0.78 -4.57 113.62 108.68 3kxp n SER 182 Ca 0.02 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.75 3kxp n SER 182 Cb 0.67 1.13 0.23 0.00 -0.26 0.00 0.00 64.21 65.98 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 1.69 1.83 2.91 5.00 0.00 -0.20 -4.91 105.19 111.52 3kxp n GLY 183 Ca -0.29 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.41 0.78 0.13 1.61 1.51 -1.26 -0.69 117.35 118.02 3kxp s TYR 184 Ca 0.40 -0.22 0.11 0.00 -1.01 0.00 0.00 57.07 56.35 3kxp s TYR 184 Cb 0.23 -0.66 -0.04 0.00 -0.11 0.00 0.00 41.96 41.38 3kxp s TYR 184 CO 0.32 -0.18 -0.25 1.14 -1.11 0.00 0.00 175.55 175.47 3kxp s GLN 185 N 0.79 1.48 0.06 -0.62 1.03 0.23 -4.85 119.66 117.78 3kxp s GLN 185 Ca -0.11 -1.31 -0.30 0.00 0.04 0.00 0.00 55.36 53.67 3kxp s GLN 185 Cb -0.14 -1.94 -0.09 0.00 0.03 0.00 0.00 33.01 30.87 3kxp s GLN 185 CO 0.01 0.46 1.84 -1.25 -2.54 0.00 0.00 175.29 173.81 3kxp s PRO 186 N -2.06 4.15 0.25 9.60 0.04 -1.26 -1.81 135.00 143.90 3kxp s PRO 186 Ca 0.15 2.53 0.01 0.00 0.04 0.00 0.00 61.00 63.73 3kxp s PRO 186 Cb -0.10 -3.86 -0.00 0.00 0.04 0.00 0.00 34.50 30.57 3kxp s PRO 186 CO 0.07 -0.87 0.05 1.55 0.04 0.00 0.00 177.00 177.83 3kxp n VAL 187 N 5.14 0.00 -1.72 -0.36 3.14 0.31 -4.95 118.33 119.89 3kxp n VAL 187 Ca 0.18 -1.30 -0.43 0.00 -2.96 0.00 0.00 64.34 59.84 3kxp n VAL 187 Cb 0.40 0.38 -0.03 0.00 -1.06 0.00 0.00 33.84 33.53 3kxp n VAL 187 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3kxp s ASP 188 N -2.43 5.77 0.00 6.55 3.68 -1.26 -2.24 116.67 126.74 3kxp s ASP 188 Ca 0.06 1.92 0.00 0.00 2.13 0.00 0.00 52.55 56.66 3kxp s ASP 188 Cb 0.00 -2.52 0.00 0.00 -1.45 0.00 0.00 42.92 38.96 3kxp s ASP 188 CO 0.05 -1.71 0.00 0.61 0.13 0.00 0.00 175.17 174.25 3kxp n GLY 189 N 5.40 0.90 0.00 2.66 0.00 -1.26 -4.94 105.19 107.95 3kxp n GLY 189 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.00 -0.51 3.67 -0.02 0.00 -0.95 -4.80 105.19 100.59 3kxp n GLY 190 Ca 0.00 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 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 3.42 0.05 0.99 2.01 0.11 0.11 118.68 125.38 3kxp s LEU 191 Ca 0.00 -0.18 -0.03 0.00 0.01 0.00 0.00 54.13 53.94 3kxp s LEU 191 Cb 0.00 -2.14 -0.03 0.00 0.01 0.00 0.00 46.19 44.03 3kxp s LEU 191 CO 0.00 0.19 0.02 -0.13 1.01 0.00 0.00 176.35 177.44 3kxp s ARG 192 N -2.20 0.58 0.45 1.70 0.52 -0.75 -0.30 118.95 118.95 3kxp s ARG 192 Ca 0.25 -1.00 -0.25 0.00 -0.52 0.00 0.00 55.73 54.21 3kxp s ARG 192 Cb -0.12 0.21 -0.08 0.00 0.52 0.00 0.00 34.95 35.49 3kxp s ARG 192 CO 0.17 -0.12 1.34 -2.14 0.02 0.00 0.00 175.30 174.56 3kxp s PRO 193 N -3.24 3.72 0.13 3.54 0.02 -1.26 -0.60 135.00 137.31 3kxp s PRO 193 Ca 0.01 2.22 -0.06 0.00 0.02 0.00 0.00 61.00 63.18 3kxp s PRO 193 Cb 0.03 -2.61 -0.09 0.00 0.02 0.00 0.00 34.50 31.85 3kxp s PRO 193 CO -0.08 -0.72 1.31 -0.07 -0.33 0.00 0.00 177.00 177.12 3kxp h LEU 194 N 2.31 0.61 -9.76 -5.54 3.38 -1.24 -3.45 115.31 101.62 3kxp h LEU 194 Ca -0.50 -0.46 -0.55 0.00 0.09 0.00 0.00 57.88 56.46 3kxp h LEU 194 Cb 1.26 -0.18 0.09 0.00 0.09 0.00 0.00 40.66 41.91 3kxp h LEU 194 CO 0.61 1.25 0.80 0.00 0.09 0.00 0.00 178.44 181.19 3kxp n ALA 195 N -2.56 2.17 -2.39 1.53 0.00 -1.26 -4.67 120.51 113.33 3kxp n ALA 195 Ca -0.07 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.33 3kxp n ALA 195 Cb 0.81 -2.41 -0.03 0.00 0.00 0.00 0.00 19.45 17.82 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 0.36 7.21 0.22 0.00 0.15 -0.77 -4.95 113.70 115.92 3kxp s SER 196 Ca 0.63 1.94 -0.07 0.00 0.70 0.00 0.00 55.95 59.16 3kxp s SER 196 Cb -0.53 -2.58 0.19 0.00 -1.71 0.00 0.00 66.02 61.39 3kxp s SER 196 CO 0.51 -0.34 1.80 0.77 1.20 0.00 0.00 173.24 177.17 3kxp h SER 197 N 6.32 1.08 -0.67 5.45 4.64 -1.92 -2.56 113.55 125.89 3kxp h SER 197 Ca -0.42 -0.16 -0.08 0.00 -0.47 0.00 0.00 61.79 60.66 3kxp h SER 197 Cb 1.21 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 63.00 3kxp h SER 197 CO 0.77 0.95 0.10 0.00 -0.87 0.00 0.00 176.83 177.78 3kxp h ALA 198 N 1.21 0.90 0.00 5.18 0.00 -1.98 -1.78 119.26 122.79 3kxp h ALA 198 Ca 0.27 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kxp h ALA 198 Cb 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3kxp h ALA 198 CO -0.02 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.90 3kxp n ALA 199 N -2.47 1.23 0.00 0.00 0.00 -0.97 -1.74 120.51 116.56 3kxp n ALA 199 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3kxp n ALA 199 Cb 0.30 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 0.61 0.00 -0.05 0.00 0.00 -0.67 -0.57 120.51 119.83 3kxp n ALA 201 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3kxp n ALA 201 Cb 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 0.76 -0.32 0.00 4.20 -1.61 -2.93 115.11 115.21 3kxp h GLN 202 Ca 0.00 -0.47 -0.04 0.00 0.06 0.00 0.00 58.65 58.20 3kxp h GLN 202 Cb 0.00 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3kxp h GLN 202 CO 0.00 1.10 0.06 1.15 -0.67 0.00 0.00 178.83 180.47 3kxp h THR 203 N 0.59 1.23 -0.05 -0.54 2.02 -1.03 -2.03 112.91 113.10 3kxp h THR 203 Ca 0.02 -0.78 0.04 0.00 0.77 0.00 0.00 66.41 66.45 3kxp h THR 203 Cb 1.12 1.12 -0.05 0.00 -1.74 0.00 0.00 68.15 68.60 3kxp h THR 203 CO 0.11 0.26 -0.23 0.00 0.37 0.00 0.00 175.52 176.03 3kxp h ALA 204 N 0.90 -0.27 0.00 6.16 0.00 -1.80 -0.92 119.26 123.34 3kxp h ALA 204 Ca 0.10 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kxp h ALA 204 Cb 0.33 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3kxp h ALA 204 CO 0.00 -0.71 0.00 0.07 0.00 0.00 0.00 179.25 178.61 3kxp h ARG 205 N -0.34 0.00 0.00 0.00 0.11 -1.50 -1.72 114.38 110.93 3kxp h ARG 205 Ca 0.08 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.12 3kxp h ARG 205 Cb 0.44 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.52 3kxp h ARG 205 CO -0.24 0.00 -0.15 0.78 0.10 0.00 0.00 179.97 180.45 3kxp h GLY 206 N 2.00 0.00 2.00 0.08 0.00 -0.43 -2.92 103.07 103.80 3kxp h GLY 206 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kxp h GLY 206 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 3kxp n LEU 207 N -3.23 0.28 0.04 3.11 4.77 -0.65 -2.69 117.00 118.63 3kxp n LEU 207 Ca 0.01 0.57 0.14 0.00 -0.03 0.00 0.00 56.01 56.69 3kxp n LEU 207 Cb 0.45 -0.52 0.51 0.00 -2.33 0.00 0.00 43.42 41.54 3kxp n LEU 207 CO 0.33 -0.35 0.88 0.54 -1.33 0.00 0.00 177.39 177.46 3kxp n ARG 208 N -1.81 0.09 -1.67 3.23 1.74 -1.10 -4.92 116.66 112.23 3kxp n ARG 208 Ca 0.03 0.07 -0.35 0.00 -0.77 0.00 0.00 57.85 56.84 3kxp n ARG 208 Cb 0.21 -1.60 0.07 0.00 -1.02 0.00 0.00 32.46 30.12 3kxp n ARG 208 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3kxp s SER 209 N -3.53 4.64 0.00 0.55 1.04 -1.09 -4.90 113.70 110.41 3kxp s SER 209 Ca 0.12 2.33 -0.30 0.00 0.48 0.00 0.00 55.95 58.59 3kxp s SER 209 Cb 0.17 -2.59 -0.08 0.00 0.10 0.00 0.00 66.02 63.62 3kxp s SER 209 CO 0.57 -1.96 1.93 -0.62 0.98 0.00 0.00 173.24 174.14 3kxp s ASP 210 N -1.94 6.42 0.00 7.02 2.15 -1.26 -4.87 116.67 124.18 3kxp s ASP 210 Ca 0.75 2.55 0.23 0.00 0.43 0.00 0.00 52.55 56.50 3kxp s ASP 210 Cb -0.29 -2.53 0.16 0.00 -0.30 0.00 0.00 42.92 39.97 3kxp s ASP 210 CO 0.41 -1.09 1.21 -0.11 -0.17 0.00 0.00 175.17 175.42 3kxp n LEU 211 N 7.74 2.83 -0.02 -1.34 7.94 -1.26 -4.57 117.00 128.32 3kxp n LEU 211 Ca 0.20 -0.98 -0.09 0.00 -1.11 0.00 0.00 56.01 54.03 3kxp n LEU 211 Cb 0.42 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.33 3kxp n LEU 211 CO 0.67 0.48 0.85 0.58 -1.11 0.00 0.00 177.39 178.86 3kxp h VAL 212 N 4.31 0.87 -0.83 1.96 2.07 -1.96 -2.65 116.25 120.02 3kxp h VAL 212 Ca 0.00 -0.01 0.11 0.00 0.82 0.00 0.00 66.70 67.62 3kxp h VAL 212 Cb 0.94 0.85 -0.08 0.00 -1.52 0.00 0.00 31.29 31.48 3kxp h VAL 212 CO 0.00 0.00 0.46 -0.65 0.02 0.00 0.00 177.57 177.41 3kxp h PRO 213 N 0.02 0.72 -0.50 1.57 0.11 -1.98 0.25 132.00 132.19 3kxp h PRO 213 Ca 0.07 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 3kxp h PRO 213 Cb 0.10 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 3kxp h PRO 213 CO -0.14 0.48 0.22 0.00 -0.21 0.00 0.00 178.00 178.35 3kxp h ALA 214 N 1.49 0.65 -0.01 -0.75 0.00 -1.81 0.11 119.26 118.93 3kxp h ALA 214 Ca 0.42 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.98 3kxp h ALA 214 Cb 0.45 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3kxp h ALA 214 CO -0.28 0.23 -0.90 1.88 0.00 0.00 0.00 179.25 180.18 3kxp h TYR 215 N 0.66 0.50 -0.42 0.00 -1.99 -1.09 -2.48 116.97 112.15 3kxp h TYR 215 Ca 0.17 -0.27 -0.09 0.00 2.00 0.00 0.00 58.73 60.54 3kxp h TYR 215 Cb 0.16 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 38.81 3kxp h TYR 215 CO -0.00 1.08 -0.12 -0.09 -0.00 0.00 0.00 178.16 179.02 3kxp h ARG 216 N 0.19 0.75 0.00 4.88 2.43 -0.34 -3.30 114.38 119.00 3kxp h ARG 216 Ca -0.06 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 3kxp h ARG 216 Cb 1.52 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.01 3kxp h ARG 216 CO 0.15 0.84 -0.94 -0.25 -1.51 0.00 0.00 179.97 178.26 3kxp n ASP 217 N -4.16 0.84 -4.69 -3.80 8.00 0.35 -4.95 116.55 108.14 3kxp n ASP 217 Ca 0.01 -0.77 -0.42 0.00 0.71 0.00 0.00 54.79 54.33 3kxp n ASP 217 Cb 0.37 0.88 -0.03 0.00 -0.02 0.00 0.00 41.12 42.32 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 -3.03 2.56 -1.42 2.53 0.11 -0.94 -4.87 120.40 115.34 3kxp s VAL 218 Ca 0.08 0.06 0.22 0.00 -2.93 0.00 0.00 61.98 59.41 3kxp s VAL 218 Cb 0.16 -3.04 -0.11 0.00 -1.53 0.00 0.00 36.38 31.87 3kxp s VAL 218 CO 0.83 -0.00 1.04 0.35 -3.33 0.00 0.00 175.10 173.99 3kxp n THR 219 N 4.76 0.00 -3.78 5.04 -2.24 -1.26 -4.96 114.28 111.84 3kxp n THR 219 Ca 0.18 -0.10 -0.24 0.00 -2.27 0.00 0.00 64.05 61.62 3kxp n THR 219 Cb 0.38 1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 69.60 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 -2.79 3.47 0.22 -0.78 -0.14 -1.26 -5.05 119.74 113.41 3kxp s LYS 220 Ca 0.13 -0.56 -0.32 0.00 -1.36 0.00 0.00 55.97 53.86 3kxp s LYS 220 Cb 0.17 -2.84 -0.13 0.00 -1.68 0.00 0.00 37.83 33.35 3kxp s LYS 220 CO 0.73 0.37 1.47 -2.30 -0.76 0.00 0.00 175.35 174.86 3kxp n PRO 221 N -1.24 2.11 -3.77 -1.68 -0.02 -1.26 -4.86 135.00 124.27 3kxp n PRO 221 Ca -0.07 0.75 -0.22 0.00 -2.02 0.00 0.00 63.50 61.95 3kxp n PRO 221 Cb 0.56 -2.45 -0.18 0.00 -0.02 0.00 0.00 33.50 31.41 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 0.24 0.27 -0.22 -1.45 1.01 -1.26 -0.84 120.40 118.16 3kxp s VAL 222 Ca 0.71 0.18 -0.14 0.00 0.00 0.00 0.00 61.98 62.73 3kxp s VAL 222 Cb -0.65 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 3kxp s VAL 222 CO 0.46 0.24 0.30 -0.22 0.00 0.00 0.00 175.10 175.88 3kxp s LEU 223 N 1.91 4.14 -0.24 3.92 2.96 0.15 -3.88 118.68 127.66 3kxp s LEU 223 Ca 0.03 0.35 -0.13 0.00 -0.22 0.00 0.00 54.13 54.16 3kxp s LEU 223 Cb -0.12 -2.35 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 3kxp s LEU 223 CO -0.04 -0.02 0.28 -0.63 -1.32 0.00 0.00 176.35 174.62 3kxp s ILE 224 N 1.21 5.27 -0.14 6.68 1.01 -0.45 -1.17 121.20 133.61 3kxp s ILE 224 Ca 0.14 0.42 0.02 0.00 0.00 0.00 0.00 60.65 61.23 3kxp s ILE 224 Cb -0.14 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.71 3kxp s ILE 224 CO 0.06 0.27 -0.19 -0.69 0.00 0.00 0.00 174.94 174.39 3kxp s VAL 225 N 1.40 2.37 0.08 2.92 1.01 -0.75 -0.56 120.40 126.86 3kxp s VAL 225 Ca 0.13 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.29 3kxp s VAL 225 Cb -0.15 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 3kxp s VAL 225 CO 0.07 0.54 -0.19 -0.60 0.00 0.00 0.00 175.10 174.92 3kxp s ARG 226 N 0.67 1.10 0.04 2.72 3.52 -0.20 0.39 118.95 127.18 3kxp s ARG 226 Ca -0.09 -1.04 -0.20 0.00 -0.13 0.00 0.00 55.73 54.27 3kxp s ARG 226 Cb -0.16 -1.27 -0.06 0.00 -1.56 0.00 0.00 34.95 31.90 3kxp s ARG 226 CO 0.02 0.30 0.58 0.20 -0.81 0.00 0.00 175.30 175.59 3kxp s GLY 227 N -1.66 2.64 0.23 8.12 0.00 -1.26 -0.70 107.32 114.69 3kxp s GLY 227 Ca 0.05 0.03 -0.06 0.00 0.00 0.00 0.00 44.72 44.73 3kxp s GLY 227 CO 0.03 0.57 1.73 -2.09 0.00 0.00 0.00 173.10 173.34 3kxp h GLU 228 N 4.98 0.39 -0.48 2.90 4.81 0.13 -2.42 114.58 124.90 3kxp h GLU 228 Ca -0.48 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 58.64 3kxp h GLU 228 Cb 1.21 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.45 3kxp h GLU 228 CO 0.66 0.26 0.08 -1.13 -0.73 0.00 0.00 179.01 178.14 3kxp n SER 229 N -5.02 4.35 -4.66 1.04 3.41 -0.02 -4.92 113.62 107.80 3kxp n SER 229 Ca 0.12 -3.16 -0.46 0.00 -0.26 0.00 0.00 58.87 55.11 3kxp n SER 229 Cb 0.36 -0.64 -0.03 0.00 -0.26 0.00 0.00 64.21 63.64 3kxp n SER 229 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3kxp n SER 230 N -0.28 2.68 -0.38 4.04 2.88 -0.91 -4.52 113.62 117.14 3kxp n SER 230 Ca 0.30 1.13 0.13 0.00 -1.33 0.00 0.00 58.87 59.09 3kxp n SER 230 Cb 1.12 -1.40 0.30 0.00 -0.75 0.00 0.00 64.21 63.48 3kxp n SER 230 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3kxp n LYS 231 N 2.38 1.13 -0.10 -1.46 5.02 -1.26 -4.29 118.16 119.57 3kxp n LYS 231 Ca 0.13 -0.75 -0.17 0.00 -2.02 0.00 0.00 58.31 55.50 3kxp n LYS 231 Cb 0.30 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 33.75 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 -0.28 1.90 -4.39 -0.35 0.00 -1.26 -4.77 117.00 107.85 3kxp n LEU 232 Ca 0.13 0.42 -0.42 0.00 0.00 0.00 0.00 56.01 56.13 3kxp n LEU 232 Cb 0.39 -0.84 -0.10 0.00 0.00 0.00 0.00 43.42 42.87 3kxp n LEU 232 CO 0.24 0.07 -0.08 -0.69 0.00 0.00 0.00 177.39 176.93 3kxp s VAL 233 N -2.53 4.89 0.72 1.96 1.01 -1.26 -4.69 120.40 120.49 3kxp s VAL 233 Ca -0.29 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 60.66 3kxp s VAL 233 Cb 0.07 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.67 3kxp s VAL 233 CO 0.44 -0.37 1.09 -0.94 0.00 0.00 0.00 175.10 175.33 3kxp s SER 234 N 1.88 5.32 0.34 3.32 1.04 -1.26 -4.56 113.70 119.77 3kxp s SER 234 Ca 0.03 1.18 0.04 0.00 0.48 0.00 0.00 55.95 57.69 3kxp s SER 234 Cb -0.21 -1.97 0.62 0.00 0.10 0.00 0.00 66.02 64.56 3kxp s SER 234 CO 0.07 -1.43 1.89 0.00 0.98 0.00 0.00 173.24 174.75 3kxp h ALA 235 N -0.72 1.40 -0.58 5.32 0.00 -1.91 -1.93 119.26 120.84 3kxp h ALA 235 Ca -0.45 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.19 3kxp h ALA 235 Cb 1.25 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3kxp h ALA 235 CO 0.63 0.43 0.01 0.00 0.00 0.00 0.00 179.25 180.32 3kxp h ALA 236 N 1.52 0.78 -0.50 0.00 0.00 -1.99 -1.30 119.26 117.77 3kxp h ALA 236 Ca 0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3kxp h ALA 236 Cb 0.29 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3kxp h ALA 236 CO 0.01 0.60 0.24 0.00 0.00 0.00 0.00 179.25 180.10 3kxp h ALA 237 N 0.98 0.64 -0.49 0.00 0.00 -1.69 -1.96 119.26 116.74 3kxp h ALA 237 Ca 0.17 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3kxp h ALA 237 Cb 0.53 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3kxp h ALA 237 CO 0.03 0.20 0.00 1.25 0.00 0.00 0.00 179.25 180.73 3kxp h LEU 238 N 0.66 0.77 -0.66 0.00 5.85 -1.20 -1.58 115.31 119.16 3kxp h LEU 238 Ca 0.17 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3kxp h LEU 238 Cb 0.11 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3kxp h LEU 238 CO -0.02 0.84 0.36 0.00 -0.34 0.00 0.00 178.44 179.27 3kxp h ALA 239 N 1.25 0.85 -0.43 1.25 0.00 -0.87 -0.10 119.26 121.21 3kxp h ALA 239 Ca 0.15 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3kxp h ALA 239 Cb 0.45 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3kxp h ALA 239 CO 0.02 0.36 -0.13 0.87 0.00 0.00 0.00 179.25 180.37 3kxp h LYS 240 N 0.90 0.84 0.01 0.00 1.57 -1.13 -1.89 116.57 116.87 3kxp h LYS 240 Ca 0.23 -0.34 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3kxp h LYS 240 Cb 0.04 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3kxp h LYS 240 CO -0.04 0.97 -0.08 1.15 -0.57 0.00 0.00 179.45 180.89 3kxp h THR 241 N 0.67 0.80 -0.16 -0.16 2.02 -0.97 -0.70 112.91 114.41 3kxp h THR 241 Ca 0.11 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.29 3kxp h THR 241 Cb 0.67 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 3kxp h THR 241 CO 0.05 0.00 0.11 0.28 0.37 0.00 0.00 175.52 176.33 3kxp h SER 242 N -0.14 0.18 0.59 4.18 0.02 -0.93 0.58 113.55 118.03 3kxp h SER 242 Ca 0.03 -0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.84 3kxp h SER 242 Cb 0.17 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 3kxp h SER 242 CO -0.08 0.13 -0.63 -0.09 -1.14 0.00 0.00 176.83 175.02 3kxp h ARG 243 N 0.21 0.04 -0.18 3.45 2.43 -0.54 0.25 114.38 120.05 3kxp h ARG 243 Ca 0.06 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.03 3kxp h ARG 243 Cb -0.01 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3kxp h ARG 243 CO -0.01 0.66 -0.58 1.25 -1.51 0.00 0.00 179.97 179.78 3kxp h LEU 244 N 0.03 0.81 -6.40 3.80 5.85 0.40 -3.38 115.31 116.42 3kxp h LEU 244 Ca -0.01 -0.60 -0.59 0.00 0.84 0.00 0.00 57.88 57.53 3kxp h LEU 244 Cb 1.12 -0.24 -0.39 0.00 0.37 0.00 0.00 40.66 41.52 3kxp h LEU 244 CO 0.08 1.27 -0.89 0.54 -0.34 0.00 0.00 178.44 179.11 3kxp n ARG 245 N -4.10 0.89 0.32 1.25 5.12 0.02 -4.95 116.66 115.22 3kxp n ARG 245 Ca -0.07 -3.61 0.21 0.00 -1.93 0.00 0.00 57.85 52.45 3kxp n ARG 245 Cb 0.64 -1.75 1.07 0.00 -1.16 0.00 0.00 32.46 31.26 3kxp n ARG 245 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3kxp h PRO 246 N 5.03 0.00 0.00 5.56 0.13 -0.68 -2.80 132.00 139.24 3kxp h PRO 246 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3kxp h PRO 246 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3kxp h PRO 246 CO 0.51 0.00 0.00 0.38 -0.23 0.00 0.00 178.00 178.67 3kxp h ASP 247 N 0.00 0.00 -3.09 1.44 3.04 -1.93 -3.44 116.42 112.43 3kxp h ASP 247 Ca -0.00 0.00 -0.57 0.00 -3.24 0.00 0.00 57.03 53.22 3kxp h ASP 247 Cb 0.14 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 38.38 3kxp h ASP 247 CO 0.00 0.00 0.87 -0.76 -2.04 0.00 0.00 179.24 177.31 3kxp s LEU 248 N -5.32 4.05 0.39 0.15 1.43 -1.06 -4.99 118.68 113.34 3kxp s LEU 248 Ca 0.07 1.37 -0.26 0.00 -1.03 0.00 0.00 54.13 54.28 3kxp s LEU 248 Cb 0.09 -3.54 -0.11 0.00 0.03 0.00 0.00 46.19 42.66 3kxp s LEU 248 CO 0.59 -0.81 1.17 -0.81 0.23 0.00 0.00 176.35 176.72 3kxp n PRO 249 N 6.69 1.74 -4.79 1.29 -0.04 -1.25 -4.80 135.00 133.84 3kxp n PRO 249 Ca 0.13 0.62 -0.26 0.00 -0.04 0.00 0.00 63.50 63.95 3kxp n PRO 249 Cb 0.46 -2.22 -0.15 0.00 -0.04 0.00 0.00 33.50 31.55 3kxp n PRO 249 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kxp s VAL 250 N -1.19 1.62 -0.07 0.52 1.01 -1.26 -1.34 120.40 119.69 3kxp s VAL 250 Ca 0.60 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.54 3kxp s VAL 250 Cb -0.55 -1.38 0.02 0.00 0.00 0.00 0.00 36.38 34.47 3kxp s VAL 250 CO 0.59 0.31 -0.05 -0.69 0.00 0.00 0.00 175.10 175.25 3kxp s VAL 251 N -0.65 0.68 -0.24 2.92 1.01 0.27 -4.96 120.40 119.43 3kxp s VAL 251 Ca 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 3kxp s VAL 251 Cb -0.08 -0.72 0.02 0.00 0.00 0.00 0.00 36.38 35.60 3kxp s VAL 251 CO 0.01 0.28 -0.08 -0.69 0.00 0.00 0.00 175.10 174.62 3kxp s VAL 252 N 1.23 2.80 -0.35 2.92 1.01 -1.26 -1.04 120.40 125.72 3kxp s VAL 252 Ca -0.06 -1.00 -0.22 0.00 0.00 0.00 0.00 61.98 60.71 3kxp s VAL 252 Cb -0.14 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.85 3kxp s VAL 252 CO -0.02 0.24 0.70 -0.69 0.00 0.00 0.00 175.10 175.34 3kxp s VAL 253 N 1.32 4.83 0.40 2.92 1.01 0.12 -4.87 120.40 126.14 3kxp s VAL 253 Ca 0.01 0.79 -0.26 0.00 0.00 0.00 0.00 61.98 62.52 3kxp s VAL 253 Cb -0.16 -4.12 -0.09 0.00 0.00 0.00 0.00 36.38 32.01 3kxp s VAL 253 CO -0.05 -0.33 1.27 -2.84 0.00 0.00 0.00 175.10 173.15 3kxp s PRO 254 N 2.86 4.00 0.00 2.72 0.02 -1.26 -1.33 135.00 142.01 3kxp s PRO 254 Ca 0.28 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.38 3kxp s PRO 254 Cb -0.14 -2.75 0.00 0.00 0.02 0.00 0.00 34.50 31.63 3kxp s PRO 254 CO 0.15 -0.44 0.00 0.41 -0.33 0.00 0.00 177.00 176.79 3kxp n GLY 255 N 0.68 1.77 3.80 0.52 0.00 -1.26 -4.91 105.19 105.78 3kxp n GLY 255 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.12 3.63 0.01 4.61 0.00 -1.13 -4.95 121.76 120.82 3kxp s ALA 256 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.23 3kxp s ALA 256 Cb 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.37 3kxp s ALA 256 CO 0.00 0.62 0.00 -0.40 0.00 0.00 0.00 175.76 175.98 3kxp n ASP 257 N 1.93 0.00 -0.05 0.00 3.85 -1.26 -0.84 116.55 120.17 3kxp n ASP 257 Ca -0.18 0.00 0.12 0.00 -0.71 0.00 0.00 54.79 54.01 3kxp n ASP 257 Cb 0.54 0.00 0.52 0.00 -1.35 0.00 0.00 41.12 40.83 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 0.39 -0.82 2.11 -0.00 -1.88 -3.23 115.15 111.72 3kxp h HIS 258 Ca 0.00 0.01 -0.71 0.00 -0.00 0.00 0.00 60.37 59.67 3kxp h HIS 258 Cb 0.00 -0.13 -0.08 0.00 -0.00 0.00 0.00 27.41 27.20 3kxp h HIS 258 CO 0.00 0.19 2.77 0.66 -0.00 0.00 0.00 177.93 181.55 3kxp n TYR 259 N -4.47 2.51 0.05 5.26 4.01 -1.26 -4.82 117.16 118.44 3kxp n TYR 259 Ca 0.09 -2.88 -0.14 0.00 -0.16 0.00 0.00 57.90 54.81 3kxp n TYR 259 Cb 0.36 -2.01 -0.08 0.00 -0.31 0.00 0.00 39.34 37.30 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 2.69 0.09 -0.36 -0.72 2.07 -1.93 -0.16 116.25 117.94 3kxp h VAL 260 Ca 0.75 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 68.26 3kxp h VAL 260 Cb 0.31 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 3kxp h VAL 260 CO 1.54 0.00 0.22 -0.55 0.02 0.00 0.00 177.57 178.80 3kxp h ASN 261 N -0.61 0.42 0.43 0.57 7.08 -1.88 0.21 115.58 121.80 3kxp h ASN 261 Ca 0.04 -0.02 -0.31 0.00 -3.08 0.00 0.00 56.30 52.93 3kxp h ASN 261 Cb 0.68 -0.10 0.01 0.00 -2.08 0.00 0.00 38.32 36.83 3kxp h ASN 261 CO -0.35 0.32 -1.45 -0.33 -2.08 0.00 0.00 177.43 173.54 3kxp h GLU 262 N 0.49 0.35 0.01 4.14 5.08 -1.88 -3.16 114.58 119.60 3kxp h GLU 262 Ca 0.13 -0.60 -0.23 0.00 -1.00 0.00 0.00 59.36 57.66 3kxp h GLU 262 Cb -0.03 0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3kxp h GLU 262 CO -0.03 1.26 -1.13 0.28 -1.00 0.00 0.00 179.01 178.39 3kxp h VAL 263 N 0.10 1.56 -2.10 3.13 2.07 -0.81 -3.40 116.25 116.81 3kxp h VAL 263 Ca -0.22 -3.29 -0.55 0.00 0.82 0.00 0.00 66.70 63.45 3kxp h VAL 263 Cb 2.05 2.78 -0.40 0.00 -1.52 0.00 0.00 31.29 34.20 3kxp h VAL 263 CO 0.21 0.89 -0.93 -1.20 0.02 0.00 0.00 177.57 176.56 3kxp n SER 264 N -3.31 1.95 -0.31 0.57 7.64 0.71 -4.97 113.62 115.90 3kxp n SER 264 Ca -0.03 -3.12 0.03 0.00 1.01 0.00 0.00 58.87 56.75 3kxp n SER 264 Cb 0.96 -0.63 0.17 0.00 -1.01 0.00 0.00 64.21 63.71 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 3.62 0.86 0.31 1.43 0.13 -1.72 -1.75 132.00 134.88 3kxp h PRO 265 Ca 0.12 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.18 3kxp h PRO 265 Cb 0.78 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.72 3kxp h PRO 265 CO 0.62 0.57 -0.15 0.93 -0.23 0.00 0.00 178.00 179.75 3kxp h GLU 266 N 0.89 -0.40 -0.59 0.86 4.39 -1.93 -1.44 114.58 116.36 3kxp h GLU 266 Ca 0.41 0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.14 3kxp h GLU 266 Cb 0.33 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 3kxp h GLU 266 CO -0.23 -0.08 0.38 0.82 -1.16 0.00 0.00 179.01 178.74 3kxp h ILE 267 N -0.78 1.15 -0.27 3.13 2.04 -1.97 -0.75 117.51 120.07 3kxp h ILE 267 Ca -0.04 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 3kxp h ILE 267 Cb 0.51 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3kxp h ILE 267 CO 0.07 0.15 0.11 0.74 0.00 0.00 0.00 178.15 179.23 3kxp h THR 268 N 0.80 1.17 0.19 -0.27 2.02 -1.29 -0.93 112.91 114.59 3kxp h THR 268 Ca 0.21 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 3kxp h THR 268 Cb -0.08 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 3kxp h THR 268 CO -0.04 0.17 -0.09 0.25 0.37 0.00 0.00 175.52 176.18 3kxp h LEU 269 N 0.29 -0.21 -1.37 2.58 5.85 -0.51 -1.74 115.31 120.20 3kxp h LEU 269 Ca 0.09 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.86 3kxp h LEU 269 Cb 0.16 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 3kxp h LEU 269 CO -0.01 -0.15 0.46 0.11 -0.34 0.00 0.00 178.44 178.52 3kxp h LYS 270 N -0.26 0.77 -0.38 1.25 1.79 -1.05 -0.43 116.57 118.26 3kxp h LYS 270 Ca -0.03 -0.05 -0.10 0.00 -2.18 0.00 0.00 60.65 58.29 3kxp h LYS 270 Cb 0.20 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 3kxp h LYS 270 CO 0.04 0.51 -0.19 0.00 -1.08 0.00 0.00 179.45 178.73 3kxp h ALA 271 N 1.60 0.96 -0.18 3.86 0.00 -0.87 0.25 119.26 124.88 3kxp h ALA 271 Ca 0.29 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 3kxp h ALA 271 Cb 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3kxp h ALA 271 CO -0.09 0.61 -0.46 0.82 0.00 0.00 0.00 179.25 180.13 3kxp h ILE 272 N 0.64 1.33 -0.08 0.00 2.04 -0.35 -2.44 117.51 118.65 3kxp h ILE 272 Ca 0.10 -1.70 -0.11 0.00 1.00 0.00 0.00 64.86 64.15 3kxp h ILE 272 Cb 0.67 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 3kxp h ILE 272 CO 0.05 0.53 -0.44 0.71 0.00 0.00 0.00 178.15 178.99 3kxp h THR 273 N 0.30 1.32 -0.44 -0.27 1.35 -1.02 -1.60 112.91 112.56 3kxp h THR 273 Ca -0.01 -1.59 -0.10 0.00 -0.55 0.00 0.00 66.41 64.16 3kxp h THR 273 Cb 1.07 1.76 -0.02 0.00 -1.73 0.00 0.00 68.15 69.24 3kxp h THR 273 CO 0.10 0.47 -0.14 0.78 -0.25 0.00 0.00 175.52 176.47 3kxp h ASN 274 N 0.15 0.83 0.35 5.36 2.35 -0.92 -2.21 115.58 121.49 3kxp h ASN 274 Ca 0.01 -0.27 -0.02 0.00 -0.55 0.00 0.00 56.30 55.47 3kxp h ASN 274 Cb 0.85 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 39.00 3kxp h ASN 274 CO 0.07 0.98 -0.17 0.15 -1.65 0.00 0.00 177.43 176.80 3kxp h PHE 275 N 0.74 -0.44 0.00 1.19 -0.00 -0.98 -3.05 116.94 114.40 3kxp h PHE 275 Ca 0.12 -0.01 -0.04 0.00 -0.00 0.00 0.00 57.97 58.04 3kxp h PHE 275 Cb 0.65 0.15 -0.01 0.00 -0.00 0.00 0.00 35.95 36.74 3kxp h PHE 275 CO 0.04 -0.27 -0.18 -0.84 -0.00 0.00 0.00 178.31 177.05 3kxp h ILE 276 N -0.60 0.46 0.00 1.41 3.07 -1.41 -3.22 117.51 117.22 3kxp h ILE 276 Ca -0.05 -1.00 0.00 0.00 1.55 0.00 0.00 64.86 65.36 3kxp h ILE 276 Cb 0.36 1.71 0.00 0.00 -0.27 0.00 0.00 36.82 38.62 3kxp h ILE 276 CO 0.08 0.18 -0.62 0.47 -1.05 0.00 0.00 178.15 177.21 3kxp n ASP 277 N -3.35 0.58 0.00 2.16 8.00 -0.83 -5.10 116.55 118.01 3kxp n ASP 277 Ca 0.00 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.36 3kxp n ASP 277 Cb 0.40 0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.81 3kxp n ASP 277 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81