#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 2.96 -0.26 4.41 0.40 -1.26 -4.83 117.98 119.40 3kxp s PHE 12 Ca 0.00 -0.07 -0.12 0.00 -0.60 0.00 0.00 56.93 56.13 3kxp s PHE 12 Cb 0.00 -1.77 -0.05 0.00 0.51 0.00 0.00 43.02 41.71 3kxp s PHE 12 CO 0.00 0.23 0.25 0.96 0.70 0.00 0.00 175.22 177.37 3kxp s ILE 13 N -0.51 5.27 0.06 0.64 -4.36 -1.09 -4.88 121.20 116.33 3kxp s ILE 13 Ca 0.08 0.33 -0.10 0.00 -0.26 0.00 0.00 60.65 60.70 3kxp s ILE 13 Cb -0.12 -3.59 -0.06 0.00 1.25 0.00 0.00 42.46 39.94 3kxp s ILE 13 CO 0.02 0.24 0.38 -0.44 0.24 0.00 0.00 174.94 175.38 3kxp s SER 14 N 1.52 6.63 -0.16 4.36 0.01 -1.26 -2.18 113.70 122.64 3kxp s SER 14 Ca 0.10 0.77 -0.29 0.00 1.31 0.00 0.00 55.95 57.85 3kxp s SER 14 Cb -0.15 -2.17 0.10 0.00 0.21 0.00 0.00 66.02 64.01 3kxp s SER 14 CO 0.09 0.20 0.87 0.00 0.41 0.00 0.00 173.24 174.81 3kxp s ARG 15 N -1.81 0.75 -0.30 12.44 1.70 -0.69 -4.97 118.95 126.08 3kxp s ARG 15 Ca 0.31 0.37 -0.18 0.00 -0.47 0.00 0.00 55.73 55.76 3kxp s ARG 15 Cb -0.14 0.36 -0.02 0.00 -0.57 0.00 0.00 34.95 34.58 3kxp s ARG 15 CO 0.17 -0.20 0.51 1.03 -1.08 0.00 0.00 175.30 175.74 3kxp s ARG 16 N -0.71 3.89 -0.21 3.89 0.52 -1.26 -0.58 118.95 124.48 3kxp s ARG 16 Ca -0.04 0.12 -0.11 0.00 -0.52 0.00 0.00 55.73 55.18 3kxp s ARG 16 Cb -0.02 -3.72 -0.05 0.00 0.52 0.00 0.00 34.95 31.69 3kxp s ARG 16 CO 0.03 -0.47 0.20 0.08 0.02 0.00 0.00 175.30 175.15 3kxp s VAL 17 N 2.36 5.35 -0.38 3.52 1.01 0.21 -4.87 120.40 127.60 3kxp s VAL 17 Ca 0.20 0.30 -0.22 0.00 0.00 0.00 0.00 61.98 62.27 3kxp s VAL 17 Cb -0.15 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.70 3kxp s VAL 17 CO 0.11 0.37 0.69 -0.62 0.00 0.00 0.00 175.10 175.65 3kxp s ASP 18 N 0.78 6.45 -0.33 3.32 3.68 -1.26 -0.55 116.67 128.75 3kxp s ASP 18 Ca 0.10 0.11 0.09 0.00 2.13 0.00 0.00 52.55 54.99 3kxp s ASP 18 Cb -0.13 -2.35 0.66 0.00 -1.45 0.00 0.00 42.92 39.65 3kxp s ASP 18 CO 0.03 -0.69 1.72 2.30 0.13 0.00 0.00 175.17 178.66 3kxp n ILE 19 N 5.74 2.86 0.00 4.11 -5.35 0.19 -4.99 119.36 121.91 3kxp n ILE 19 Ca 0.00 -1.96 0.00 0.00 -0.27 0.00 0.00 62.75 60.53 3kxp n ILE 19 Cb 0.48 -0.37 0.00 0.00 -1.74 0.00 0.00 39.64 38.02 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 -0.62 1.82 0.38 3.28 0.00 -1.26 -4.45 105.19 104.33 3kxp n GLY 20 Ca 0.42 -0.29 0.19 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.03 1.61 0.11 -2.00 -3.44 114.38 108.64 3kxp h ARG 21 Ca 0.00 0.00 0.23 0.00 0.10 0.00 0.00 59.98 60.31 3kxp h ARG 21 Cb 0.00 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 30.99 3kxp h ARG 21 CO 0.00 0.00 0.62 -1.50 0.10 0.00 0.00 179.97 179.19 3kxp s ILE 22 N -4.53 0.00 -0.17 0.08 2.07 -1.26 -5.15 121.20 112.23 3kxp s ILE 22 Ca -0.04 -0.50 -0.01 0.00 -1.41 0.00 0.00 60.65 58.69 3kxp s ILE 22 Cb 0.14 -2.07 -0.00 0.00 0.13 0.00 0.00 42.46 40.66 3kxp s ILE 22 CO 0.50 0.00 -0.12 -0.89 -1.91 0.00 0.00 174.94 172.52 3kxp s THR 23 N -2.89 2.84 -0.02 4.00 2.01 -1.26 -0.64 115.64 119.69 3kxp s THR 23 Ca 0.14 -0.70 0.07 0.00 0.31 0.00 0.00 61.69 61.51 3kxp s THR 23 Cb 0.01 -2.23 -0.02 0.00 0.01 0.00 0.00 72.50 70.27 3kxp s THR 23 CO 0.00 0.49 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.46 3kxp s LEU 24 N 0.99 2.37 0.17 4.42 1.43 0.29 -1.64 118.68 126.72 3kxp s LEU 24 Ca -0.01 -0.38 -0.25 0.00 -1.03 0.00 0.00 54.13 52.45 3kxp s LEU 24 Cb -0.15 -1.43 -0.08 0.00 0.03 0.00 0.00 46.19 44.56 3kxp s LEU 24 CO -0.02 0.31 0.77 0.21 0.23 0.00 0.00 176.35 177.86 3kxp s ASN 25 N -0.82 7.37 0.08 2.29 2.47 -1.26 0.67 114.94 125.74 3kxp s ASN 25 Ca 0.11 1.63 0.01 0.00 0.42 0.00 0.00 52.86 55.04 3kxp s ASN 25 Cb -0.10 -2.49 -0.04 0.00 -1.45 0.00 0.00 41.25 37.17 3kxp s ASN 25 CO 0.01 0.20 -0.06 -0.69 -3.72 0.00 0.00 177.10 172.84 3kxp s VAL 26 N -1.17 0.56 -0.14 -5.21 1.01 0.25 -1.55 120.40 114.14 3kxp s VAL 26 Ca 0.36 -1.71 0.00 0.00 0.00 0.00 0.00 61.98 60.63 3kxp s VAL 26 Cb -0.23 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 34.78 3kxp s VAL 26 CO 0.26 -0.79 -0.13 -0.13 0.00 0.00 0.00 175.10 174.31 3kxp s ARG 27 N -3.33 2.16 0.28 2.72 0.52 -0.54 -1.71 118.95 119.05 3kxp s ARG 27 Ca 0.06 -0.51 0.11 0.00 -0.52 0.00 0.00 55.73 54.87 3kxp s ARG 27 Cb 0.02 -2.02 -0.05 0.00 0.52 0.00 0.00 34.95 33.42 3kxp s ARG 27 CO -0.05 -0.25 -0.17 -2.00 0.02 0.00 0.00 175.30 172.86 3kxp s GLU 28 N 1.53 1.65 -0.26 3.54 2.12 -0.92 -0.99 118.70 125.36 3kxp s GLU 28 Ca 0.05 -1.77 -0.34 0.00 0.36 0.00 0.00 54.97 53.27 3kxp s GLU 28 Cb -0.13 -1.65 0.16 0.00 0.26 0.00 0.00 34.13 32.78 3kxp s GLU 28 CO -0.10 0.27 1.31 0.21 -0.54 0.00 0.00 175.26 176.41 3kxp s LYS 29 N -3.55 0.14 0.62 4.30 2.20 -0.94 -2.68 119.74 119.84 3kxp s LYS 29 Ca 0.29 -0.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.88 3kxp s LYS 29 Cb -0.03 0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.35 3kxp s LYS 29 CO 0.14 -0.06 0.00 0.41 -0.36 0.00 0.00 175.35 175.48 3kxp n GLY 30 N 0.21 -2.01 3.28 5.54 0.00 -1.26 -1.53 105.19 109.41 3kxp n GLY 30 Ca 0.01 -1.38 -0.09 0.00 0.00 0.00 0.00 46.02 44.56 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 -3.64 0.12 0.00 1.61 1.04 -1.20 -4.59 113.70 107.04 3kxp s SER 31 Ca 0.00 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.51 3kxp s SER 31 Cb 0.00 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.51 3kxp s SER 31 CO 0.00 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.00 3kxp n GLY 32 N -0.16 -0.17 3.57 7.32 0.00 -1.26 -2.55 105.19 111.94 3kxp n GLY 32 Ca -0.08 -2.26 -0.40 0.00 0.00 0.00 0.00 46.02 43.29 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 1.02 -1.54 1.61 -0.02 -1.26 -3.49 135.00 131.32 3kxp n PRO 33 Ca 0.00 0.38 -0.30 0.00 -2.02 0.00 0.00 63.50 61.55 3kxp n PRO 33 Cb 0.00 -1.97 0.23 0.00 -0.02 0.00 0.00 33.50 31.74 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 -0.48 1.75 -0.27 2.45 2.96 -1.26 -1.56 118.68 122.26 3kxp s LEU 34 Ca 0.67 0.32 -0.25 0.00 -0.22 0.00 0.00 54.13 54.65 3kxp s LEU 34 Cb -0.51 -2.13 0.12 0.00 0.50 0.00 0.00 46.19 44.18 3kxp s LEU 34 CO 0.54 -3.55 1.00 -0.76 -1.32 0.00 0.00 176.35 172.26 3kxp s LEU 36 N -6.45 -0.47 -0.08 -0.68 1.43 0.34 -1.41 118.68 111.37 3kxp s LEU 36 Ca 0.75 0.87 0.03 0.00 -1.03 0.00 0.00 54.13 54.75 3kxp s LEU 36 Cb -0.05 1.93 -0.02 0.00 0.03 0.00 0.00 46.19 48.09 3kxp s LEU 36 CO 0.55 -0.18 -0.18 -0.36 0.23 0.00 0.00 176.35 176.41 3kxp s PHE 37 N 0.12 2.64 -0.10 0.29 0.40 -0.32 -0.24 117.98 120.77 3kxp s PHE 37 Ca 0.02 -0.58 0.01 0.00 -0.60 0.00 0.00 56.93 55.79 3kxp s PHE 37 Cb -0.05 -1.70 0.02 0.00 0.51 0.00 0.00 43.02 41.81 3kxp s PHE 37 CO -0.05 -0.13 -0.12 -0.06 0.70 0.00 0.00 175.22 175.57 3kxp s PHE 38 N -0.10 1.68 1.01 0.36 0.40 -0.18 -1.51 117.98 119.63 3kxp s PHE 38 Ca -0.03 -0.78 -0.15 0.00 -0.60 0.00 0.00 56.93 55.36 3kxp s PHE 38 Cb -0.14 -1.28 0.20 0.00 0.51 0.00 0.00 43.02 42.31 3kxp s PHE 38 CO 0.04 -0.45 1.16 -3.38 0.70 0.00 0.00 175.22 173.29 3kxp s HIS 39 N 1.19 1.71 0.63 0.36 -3.43 -1.26 -1.10 115.29 113.39 3kxp s HIS 39 Ca -0.04 0.65 0.02 0.00 -0.80 0.00 0.00 55.06 54.90 3kxp s HIS 39 Cb -0.14 -3.55 0.09 0.00 -1.43 0.00 0.00 32.58 27.55 3kxp s HIS 39 CO -0.03 -2.91 0.87 0.20 -2.00 0.00 0.00 174.74 170.87 3kxp s GLY 40 N -4.12 1.78 0.30 -1.38 0.00 -1.19 -2.17 107.32 100.55 3kxp s GLY 40 Ca 0.68 -1.71 -0.29 0.00 0.00 0.00 0.00 44.72 43.40 3kxp s GLY 40 CO 0.54 -1.26 1.36 4.51 0.00 0.00 0.00 173.10 178.26 3kxp n ILE 41 N -2.53 1.51 0.00 0.90 3.06 -1.26 -1.99 119.36 119.05 3kxp n ILE 41 Ca 0.13 -0.38 0.00 0.00 -2.50 0.00 0.00 62.75 60.00 3kxp n ILE 41 Cb 0.60 -1.58 0.00 0.00 0.54 0.00 0.00 39.64 39.21 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 1.10 0.00 -1.48 9.51 -2.24 -1.26 -4.97 114.28 114.94 3kxp n THR 42 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3kxp n THR 42 Cb 0.34 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 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 -3.48 3.42 2.88 -0.84 -4.83 113.62 110.77 3kxp n SER 43 Ca 0.00 -0.62 -0.09 0.00 -1.33 0.00 0.00 58.87 56.83 3kxp n SER 43 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 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 0.01 0.58 -3.46 2.20 -1.26 -4.43 114.94 107.57 3kxp s ASN 44 Ca 0.00 -0.96 0.27 0.00 -0.94 0.00 0.00 52.86 51.23 3kxp s ASN 44 Cb 0.00 0.74 1.66 0.00 -2.00 0.00 0.00 41.25 41.64 3kxp s ASN 44 CO 0.00 -1.43 2.16 0.77 -2.94 0.00 0.00 177.10 175.67 3kxp h SER 45 N 2.06 0.00 -0.11 3.54 4.64 -1.93 -3.16 113.55 118.59 3kxp h SER 45 Ca -0.26 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.09 3kxp h SER 45 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3kxp h SER 45 CO 0.33 0.00 0.09 0.00 -0.87 0.00 0.00 176.83 176.38 3kxp h ALA 46 N 1.89 1.94 0.00 5.18 0.00 -1.94 -2.38 119.26 123.95 3kxp h ALA 46 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kxp h ALA 46 Cb 0.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3kxp h ALA 46 CO -0.00 -0.15 0.00 1.33 0.00 0.00 0.00 179.25 180.43 3kxp n VAL 47 N -4.24 1.03 1.03 0.00 0.24 -1.20 -2.30 118.33 112.89 3kxp n VAL 47 Ca -0.00 0.62 0.11 0.00 -2.04 0.00 0.00 64.34 63.03 3kxp n VAL 47 Cb 0.21 -1.60 0.06 0.00 -1.47 0.00 0.00 33.84 31.03 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 -2.23 0.00 -0.21 6.34 3.01 -0.89 -4.52 117.46 118.96 3kxp n PHE 48 Ca -0.01 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.45 3kxp n PHE 48 Cb 0.08 -0.08 0.11 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 0.61 0.43 -0.34 -1.08 5.08 -1.63 -2.02 114.58 115.63 3kxp h GLU 49 Ca 0.00 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.41 3kxp h GLU 49 Cb 0.55 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3kxp h GLU 49 CO 0.00 0.29 0.24 -1.35 -1.00 0.00 0.00 179.01 177.19 3kxp h PRO 50 N 0.45 0.11 -0.99 2.33 0.11 -1.82 -1.51 132.00 130.68 3kxp h PRO 50 Ca 0.31 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 66.28 3kxp h PRO 50 Cb 0.36 -0.03 -0.07 0.00 0.11 0.00 0.00 31.00 31.37 3kxp h PRO 50 CO -0.29 0.08 0.16 -0.11 -0.21 0.00 0.00 178.00 177.63 3kxp n LEU 51 N -4.46 3.85 0.00 2.35 7.94 -0.76 -4.05 117.00 121.87 3kxp n LEU 51 Ca 0.05 -1.98 0.00 0.00 -1.11 0.00 0.00 56.01 52.96 3kxp n LEU 51 Cb 0.34 -0.58 0.00 0.00 0.53 0.00 0.00 43.42 43.70 3kxp n LEU 51 CO 0.35 0.62 0.00 -0.38 -1.11 0.00 0.00 177.39 176.87 3kxp n ILE 53 N 0.08 0.00 0.72 1.96 5.41 -0.57 -3.53 119.36 123.43 3kxp n ILE 53 Ca 0.15 0.00 0.13 0.00 1.00 0.00 0.00 62.75 64.03 3kxp n ILE 53 Cb 0.78 0.00 0.48 0.00 -0.71 0.00 0.00 39.64 40.20 3kxp n ILE 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3kxp n ARG 54 N 0.00 0.14 0.00 0.38 5.12 -1.26 -3.63 116.66 117.42 3kxp n ARG 54 Ca 0.00 0.17 0.00 0.00 -1.93 0.00 0.00 57.85 56.09 3kxp n ARG 54 Cb 0.00 -1.68 -0.00 0.00 -1.16 0.00 0.00 32.46 29.62 3kxp n ARG 54 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3kxp n LEU 55 N -1.93 0.43 -0.28 0.55 4.77 -1.23 -4.77 117.00 114.53 3kxp n LEU 55 Ca 0.05 -0.70 0.08 0.00 -0.03 0.00 0.00 56.01 55.41 3kxp n LEU 55 Cb 0.35 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.67 3kxp n LEU 55 CO 0.26 0.11 1.06 0.28 -1.33 0.00 0.00 177.39 177.77 3kxp h SER 56 N 0.03 0.41 0.03 -1.43 0.02 -1.75 -0.72 113.55 110.14 3kxp h SER 56 Ca 0.00 0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3kxp h SER 56 Cb 0.01 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 3kxp h SER 56 CO 0.00 0.14 -0.01 -2.24 -1.14 0.00 0.00 176.83 173.59 3kxp h ASP 57 N 0.53 0.00 0.00 3.07 3.04 -1.86 -3.16 116.42 118.04 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 0.71 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.00 3kxp h ASP 57 CO -0.40 0.01 -1.30 0.54 -2.04 0.00 0.00 179.24 176.04 3kxp n ARG 58 N -3.62 0.24 -4.16 4.15 1.74 -0.77 -4.79 116.66 109.45 3kxp n ARG 58 Ca -0.03 -0.06 -0.13 0.00 -0.77 0.00 0.00 57.85 56.86 3kxp n ARG 58 Cb 0.09 -1.16 -0.11 0.00 -1.02 0.00 0.00 32.46 30.26 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 -2.47 0.94 -0.91 -1.55 0.40 -0.35 -4.22 117.98 109.82 3kxp s PHE 59 Ca -0.02 -0.73 -0.19 0.00 -0.60 0.00 0.00 56.93 55.39 3kxp s PHE 59 Cb 0.04 -0.53 0.13 0.00 0.51 0.00 0.00 43.02 43.17 3kxp s PHE 59 CO 0.28 -0.06 1.12 0.99 0.70 0.00 0.00 175.22 178.25 3kxp s THR 60 N -2.74 4.70 -0.20 0.64 2.01 -0.60 -3.21 115.64 116.22 3kxp s THR 60 Ca 0.06 -1.50 -0.29 0.00 0.31 0.00 0.00 61.69 60.27 3kxp s THR 60 Cb -0.01 -4.78 0.00 0.00 0.01 0.00 0.00 72.50 67.73 3kxp s THR 60 CO -0.02 -1.51 1.02 0.42 -0.69 0.00 0.00 174.62 173.84 3kxp s THR 61 N 2.79 4.72 -0.15 -0.82 -4.23 -0.58 -4.50 115.64 112.87 3kxp s THR 61 Ca 0.32 2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 62.82 3kxp s THR 61 Cb -0.06 -4.30 0.04 0.00 1.34 0.00 0.00 72.50 69.52 3kxp s THR 61 CO -0.08 -0.13 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.18 3kxp s ILE 62 N 2.90 1.05 0.04 2.99 1.01 -1.26 -2.21 121.20 125.72 3kxp s ILE 62 Ca 0.44 -0.49 -0.13 0.00 0.00 0.00 0.00 60.65 60.47 3kxp s ILE 62 Cb -0.16 -1.18 -0.06 0.00 0.01 0.00 0.00 42.46 41.08 3kxp s ILE 62 CO 0.09 0.21 0.42 0.00 0.00 0.00 0.00 174.94 175.66 3kxp s ALA 63 N 1.67 3.69 -0.10 9.38 0.00 -0.16 -1.17 121.76 135.07 3kxp s ALA 63 Ca 0.02 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 51.77 3kxp s ALA 63 Cb -0.14 -2.37 0.01 0.00 0.00 0.00 0.00 23.12 20.61 3kxp s ALA 63 CO -0.08 0.50 -0.20 0.08 0.00 0.00 0.00 175.76 176.06 3kxp s VAL 64 N -1.21 1.79 -0.28 0.00 1.01 -0.57 -1.47 120.40 119.68 3kxp s VAL 64 Ca 0.28 -0.85 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 3kxp s VAL 64 Cb -0.16 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.65 3kxp s VAL 64 CO 0.15 0.50 1.04 -1.81 0.00 0.00 0.00 175.10 174.98 3kxp s ASP 65 N 0.61 6.99 0.63 3.32 -0.00 -0.60 -4.38 116.67 123.23 3kxp s ASP 65 Ca -0.14 1.18 -0.09 0.00 -0.00 0.00 0.00 52.55 53.51 3kxp s ASP 65 Cb -0.17 -2.53 -0.00 0.00 -0.00 0.00 0.00 42.92 40.22 3kxp s ASP 65 CO 0.04 -0.76 0.98 -1.10 -0.00 0.00 0.00 175.17 174.33 3kxp s GLN 66 N 3.39 3.10 0.22 8.23 -0.21 -1.26 -4.17 119.66 128.96 3kxp s GLN 66 Ca 0.44 0.34 -0.30 0.00 0.02 0.00 0.00 55.36 55.86 3kxp s GLN 66 Cb -0.14 -2.16 -0.16 0.00 1.00 0.00 0.00 33.01 31.56 3kxp s GLN 66 CO 0.11 -0.74 0.88 2.89 -2.12 0.00 0.00 175.29 176.31 3kxp n ARG 67 N -2.73 0.78 0.00 2.91 1.85 -1.26 -0.70 116.66 117.51 3kxp n ARG 67 Ca 0.05 0.28 0.00 0.00 -1.00 0.00 0.00 57.85 57.18 3kxp n ARG 67 Cb 0.56 -1.56 0.00 0.00 -1.05 0.00 0.00 32.46 30.42 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 1.67 2.55 3.66 2.89 0.00 -0.60 -5.00 105.19 110.35 3kxp n GLY 68 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.59 2.67 0.00 1.61 3.76 0.12 -1.76 115.29 119.10 3kxp s HIS 69 Ca 0.00 -0.29 0.00 0.00 -0.15 0.00 0.00 55.06 54.62 3kxp s HIS 69 Cb 0.00 -1.32 0.00 0.00 1.11 0.00 0.00 32.58 32.37 3kxp s HIS 69 CO 0.00 0.54 0.00 0.41 -0.85 0.00 0.00 174.74 174.84 3kxp n GLY 70 N -0.95 2.15 1.70 -2.22 0.00 -1.26 -1.49 105.19 103.13 3kxp n GLY 70 Ca -0.05 0.24 -0.03 0.00 0.00 0.00 0.00 46.02 46.18 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 5.47 -4.98 0.99 4.77 -1.26 -4.66 117.00 117.33 3kxp n LEU 71 Ca 0.00 -3.25 -0.21 0.00 -0.03 0.00 0.00 56.01 52.52 3kxp n LEU 71 Cb 0.00 -0.70 0.02 0.00 -2.33 0.00 0.00 43.42 40.42 3kxp n LEU 71 CO 0.00 0.84 0.29 -0.44 -1.33 0.00 0.00 177.39 176.75 3kxp s SER 72 N -1.38 5.50 0.66 -1.43 0.01 -0.55 -4.24 113.70 112.28 3kxp s SER 72 Ca 0.52 -0.02 -0.17 0.00 1.31 0.00 0.00 55.95 57.59 3kxp s SER 72 Cb 0.42 -1.01 0.00 0.00 0.21 0.00 0.00 66.02 65.65 3kxp s SER 72 CO 0.11 -0.94 1.20 -1.81 0.41 0.00 0.00 173.24 172.21 3kxp s ASP 73 N -4.35 4.71 -0.56 2.44 1.01 -0.65 -4.63 116.67 114.64 3kxp s ASP 73 Ca 0.54 2.34 0.05 0.00 0.71 0.00 0.00 52.55 56.20 3kxp s ASP 73 Cb -0.10 -2.59 0.20 0.00 1.01 0.00 0.00 42.92 41.44 3kxp s ASP 73 CO 0.37 -1.92 0.50 0.29 0.21 0.00 0.00 175.17 174.63 3kxp n LYS 74 N -2.21 1.30 -1.03 8.23 5.02 -1.26 -1.56 118.16 126.65 3kxp n LYS 74 Ca 0.13 -3.93 -0.34 0.00 -2.02 0.00 0.00 58.31 52.15 3kxp n LYS 74 Cb 0.50 -1.92 0.11 0.00 -0.02 0.00 0.00 35.03 33.70 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 1.91 0.04 0.28 1.97 -0.04 -1.26 -4.85 135.00 133.04 3kxp n PRO 75 Ca 0.25 0.07 0.14 0.00 -0.04 0.00 0.00 63.50 63.93 3kxp n PRO 75 Cb 0.43 -2.09 0.83 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.01 0.00 -3.11 0.54 4.57 -2.02 -3.45 114.58 110.10 3kxp h GLU 76 Ca -0.45 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 57.78 3kxp h GLU 76 Cb 1.31 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.84 3kxp h GLU 76 CO 0.41 0.06 0.17 -0.08 -1.18 0.00 0.00 179.01 178.40 3kxp s THR 77 N -4.33 0.00 0.00 0.32 -1.32 -1.26 -4.95 115.64 104.10 3kxp s THR 77 Ca -0.04 -1.02 0.00 0.00 -1.21 0.00 0.00 61.69 59.42 3kxp s THR 77 Cb 0.14 -1.98 0.00 0.00 -1.51 0.00 0.00 72.50 69.14 3kxp s THR 77 CO 0.56 -0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.57 3kxp n GLY 78 N -0.44 0.78 0.67 6.08 0.00 -1.26 -5.06 105.19 105.96 3kxp n GLY 78 Ca -0.04 -0.81 0.06 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 0.00 -2.10 1.61 4.02 -1.26 -4.74 117.16 114.69 3kxp n TYR 79 Ca 0.00 -1.34 -0.27 0.00 -0.01 0.00 0.00 57.90 56.28 3kxp n TYR 79 Cb 0.00 -0.23 0.08 0.00 -0.02 0.00 0.00 39.34 39.16 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 -2.82 2.12 0.34 -0.72 0.41 -1.26 -4.36 118.70 112.40 3kxp s GLU 80 Ca 0.37 -0.13 0.05 0.00 -0.41 0.00 0.00 54.97 54.84 3kxp s GLU 80 Cb 0.36 -2.10 0.68 0.00 -1.78 0.00 0.00 34.13 31.30 3kxp s GLU 80 CO -0.07 -1.36 1.92 0.00 -0.49 0.00 0.00 175.26 175.26 3kxp h ALA 81 N -0.75 1.66 -0.64 5.21 0.00 -1.97 -2.01 119.26 120.75 3kxp h ALA 81 Ca -0.45 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 3kxp h ALA 81 Cb 1.32 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3kxp h ALA 81 CO 0.62 0.19 0.28 -0.97 0.00 0.00 0.00 179.25 179.38 3kxp h ASN 82 N 0.84 0.87 -0.21 0.00 -0.00 -1.98 -1.25 115.58 113.84 3kxp h ASN 82 Ca 0.36 -0.15 -0.01 0.00 -0.00 0.00 0.00 56.30 56.50 3kxp h ASN 82 Cb 0.33 -0.22 -0.01 0.00 -0.00 0.00 0.00 38.32 38.42 3kxp h ASN 82 CO -0.14 0.78 0.09 0.44 -0.00 0.00 0.00 177.43 178.60 3kxp h ASP 83 N 0.90 0.29 -0.22 1.15 3.32 -1.68 -1.35 116.42 118.82 3kxp h ASP 83 Ca 0.22 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 3kxp h ASP 83 Cb 0.16 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3kxp h ASP 83 CO -0.02 0.37 -0.08 1.88 -1.72 0.00 0.00 179.24 179.67 3kxp h TYR 84 N 0.19 0.63 -0.29 4.55 -1.99 -1.37 -2.83 116.97 115.85 3kxp h TYR 84 Ca 0.07 -0.09 -0.15 0.00 2.00 0.00 0.00 58.73 60.56 3kxp h TYR 84 Cb 0.17 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 38.73 3kxp h TYR 84 CO -0.01 0.65 -0.43 0.00 -0.00 0.00 0.00 178.16 178.37 3kxp h ALA 85 N 1.37 0.68 -0.09 3.88 0.00 -0.98 -2.94 119.26 121.20 3kxp h ALA 85 Ca 0.10 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 3kxp h ALA 85 Cb 0.47 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3kxp h ALA 85 CO 0.02 0.67 -0.38 -0.44 0.00 0.00 0.00 179.25 179.13 3kxp h ASP 86 N 0.60 0.19 -0.59 0.00 3.32 -1.16 -2.42 116.42 116.36 3kxp h ASP 86 Ca 0.04 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 3kxp h ASP 86 Cb 0.99 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.46 3kxp h ASP 86 CO 0.09 0.55 0.28 0.44 -1.72 0.00 0.00 179.24 178.89 3kxp h ASP 87 N 0.16 0.80 -0.31 6.45 3.45 -1.33 0.71 116.42 126.34 3kxp h ASP 87 Ca 0.02 -0.09 -0.14 0.00 0.43 0.00 0.00 57.03 57.25 3kxp h ASP 87 Cb 0.74 -0.20 -0.00 0.00 -0.56 0.00 0.00 39.33 39.30 3kxp h ASP 87 CO 0.06 0.69 -0.34 0.40 -1.57 0.00 0.00 179.24 178.48 3kxp h ILE 88 N 0.88 1.29 -0.27 0.35 2.04 -1.30 0.35 117.51 120.84 3kxp h ILE 88 Ca 0.22 -1.51 -0.02 0.00 1.00 0.00 0.00 64.86 64.54 3kxp h ILE 88 Cb 0.11 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 3kxp h ILE 88 CO -0.03 0.49 0.09 0.00 0.00 0.00 0.00 178.15 178.70 3kxp h ALA 89 N 0.72 0.36 -0.83 1.87 0.00 -1.06 -1.49 119.26 118.83 3kxp h ALA 89 Ca 0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kxp h ALA 89 Cb 0.92 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 3kxp h ALA 89 CO 0.08 -0.01 0.51 0.78 0.00 0.00 0.00 179.25 180.61 3kxp h GLY 90 N 0.28 1.20 1.64 0.00 0.00 -0.79 -1.97 103.07 103.43 3kxp h GLY 90 Ca 0.09 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 46.83 3kxp h GLY 90 CO -0.00 0.48 -0.25 -2.00 0.00 0.00 0.00 176.54 174.76 3kxp h LEU 91 N 1.14 0.42 -0.56 3.11 7.12 -0.68 -0.62 115.31 125.24 3kxp h LEU 91 Ca 0.30 -0.14 -0.14 0.00 0.13 0.00 0.00 57.88 58.03 3kxp h LEU 91 Cb -0.06 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 39.95 3kxp h LEU 91 CO -0.06 0.67 -0.39 0.40 -0.13 0.00 0.00 178.44 178.93 3kxp h ILE 92 N 0.37 1.29 0.21 4.05 2.04 -0.92 -2.17 117.51 122.38 3kxp h ILE 92 Ca 0.06 -1.56 -0.01 0.00 1.00 0.00 0.00 64.86 64.34 3kxp h ILE 92 Cb 0.64 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 3kxp h ILE 92 CO 0.05 0.51 -0.10 0.03 0.00 0.00 0.00 178.15 178.63 3kxp h ARG 93 N 0.59 -0.27 -0.96 2.37 3.08 -1.08 -2.06 114.38 116.05 3kxp h ARG 93 Ca 0.05 0.02 0.16 0.00 0.07 0.00 0.00 59.98 60.28 3kxp h ARG 93 Cb 0.93 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.96 3kxp h ARG 93 CO 0.08 0.08 0.60 1.15 -1.07 0.00 0.00 179.97 180.82 3kxp h THR 94 N -0.68 0.79 -0.02 2.04 2.02 -1.11 0.26 112.91 116.20 3kxp h THR 94 Ca -0.03 -0.25 -0.13 0.00 0.77 0.00 0.00 66.41 66.76 3kxp h THR 94 Cb 0.48 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 3kxp h THR 94 CO 0.05 0.14 -0.60 -0.07 0.37 0.00 0.00 175.52 175.40 3kxp h LEU 95 N 0.74 0.08 -3.51 2.58 3.38 -1.38 -3.47 115.31 113.73 3kxp h LEU 95 Ca 0.50 -0.05 -0.56 0.00 0.09 0.00 0.00 57.88 57.86 3kxp h LEU 95 Cb 0.79 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 3kxp h LEU 95 CO -0.27 0.67 -0.99 0.00 0.09 0.00 0.00 178.44 177.94 3kxp n ALA 96 N -2.44 -2.51 -2.23 1.53 0.00 0.90 -4.89 120.51 110.86 3kxp n ALA 96 Ca -0.02 -0.49 -0.01 0.00 0.00 0.00 0.00 53.44 52.93 3kxp n ALA 96 Cb 0.61 -2.70 0.08 0.00 0.00 0.00 0.00 19.45 17.44 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 -4.81 1.42 0.00 0.00 1.74 -1.26 -5.11 116.66 108.63 3kxp n ARG 97 Ca -0.14 -3.05 0.00 0.00 -0.77 0.00 0.00 57.85 53.89 3kxp n ARG 97 Cb 0.59 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 30.85 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 -0.39 -0.63 3.69 -0.13 0.00 -1.26 -4.42 105.19 102.04 3kxp n GLY 98 Ca 0.16 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 3kxp n GLY 98 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3kxp s HIS 99 N -1.82 1.77 0.16 1.61 -3.43 -1.26 -4.85 115.29 107.47 3kxp s HIS 99 Ca 0.00 1.76 0.09 0.00 -0.80 0.00 0.00 55.06 56.11 3kxp s HIS 99 Cb 0.00 -3.31 -0.04 0.00 -1.43 0.00 0.00 32.58 27.80 3kxp s HIS 99 CO 0.00 -2.66 -0.21 0.00 -2.00 0.00 0.00 174.74 169.88 3kxp s ALA 100 N -2.67 2.15 -0.06 -1.38 0.00 -0.61 -4.25 121.76 114.93 3kxp s ALA 100 Ca 0.66 -1.50 -0.17 0.00 0.00 0.00 0.00 51.96 50.96 3kxp s ALA 100 Cb -0.22 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 3kxp s ALA 100 CO 0.57 0.32 0.44 0.42 0.00 0.00 0.00 175.76 177.52 3kxp s ILE 101 N -1.77 5.11 -0.23 0.00 1.01 -0.50 -0.34 121.20 124.49 3kxp s ILE 101 Ca 0.16 0.89 -0.05 0.00 0.00 0.00 0.00 60.65 61.65 3kxp s ILE 101 Cb -0.07 -3.77 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 3kxp s ILE 101 CO 0.07 0.44 -0.00 -0.76 0.00 0.00 0.00 174.94 174.69 3kxp s LEU 102 N -0.14 3.10 -0.31 2.97 1.02 0.09 -0.50 118.68 124.90 3kxp s LEU 102 Ca 0.24 -0.32 -0.03 0.00 0.02 0.00 0.00 54.13 54.05 3kxp s LEU 102 Cb -0.16 -1.80 0.05 0.00 0.02 0.00 0.00 46.19 44.30 3kxp s LEU 102 CO 0.11 -0.02 0.03 -0.69 0.02 0.00 0.00 176.35 175.81 3kxp s VAL 103 N 1.47 3.19 0.09 -1.59 1.01 0.67 -0.07 120.40 125.17 3kxp s VAL 103 Ca 0.05 -1.35 0.07 0.00 0.00 0.00 0.00 61.98 60.76 3kxp s VAL 103 Cb -0.15 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 3kxp s VAL 103 CO -0.01 -0.14 -0.18 -0.83 0.00 0.00 0.00 175.10 173.94 3kxp s GLY 104 N 1.31 1.09 -0.16 4.51 0.00 -0.55 -1.01 107.32 112.50 3kxp s GLY 104 Ca -0.04 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.55 3kxp s GLY 104 CO -0.00 -1.14 -0.17 -1.58 0.00 0.00 0.00 173.10 170.21 3kxp s HIS 105 N -1.17 2.77 0.00 1.90 2.46 -0.26 0.05 115.29 121.05 3kxp s HIS 105 Ca 0.03 -1.20 0.00 0.00 0.47 0.00 0.00 55.06 54.36 3kxp s HIS 105 Cb -0.10 -1.90 0.00 0.00 -0.13 0.00 0.00 32.58 30.45 3kxp s HIS 105 CO 0.03 -0.57 0.00 0.45 -2.47 0.00 0.00 174.74 172.18 3kxp n SER 106 N 4.22 0.00 -0.34 9.88 2.88 0.71 -0.40 113.62 130.58 3kxp n SER 106 Ca -0.20 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.50 3kxp n SER 106 Cb 0.51 0.00 0.35 0.00 -0.75 0.00 0.00 64.21 64.32 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 0.67 -0.71 2.46 5.85 -1.89 0.22 115.31 121.90 3kxp h LEU 107 Ca 0.00 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 3kxp h LEU 107 Cb 0.00 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3kxp h LEU 107 CO 0.00 0.15 0.26 1.23 -0.34 0.00 0.00 178.44 179.74 3kxp h GLY 108 N 0.62 1.16 0.81 3.75 0.00 -0.21 -1.37 103.07 107.83 3kxp h GLY 108 Ca 0.61 -0.66 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 3kxp h GLY 108 CO -0.45 0.62 -0.04 0.00 0.00 0.00 0.00 176.54 176.67 3kxp h ALA 109 N 1.12 0.28 -0.34 3.60 0.00 -0.77 -0.62 119.26 122.54 3kxp h ALA 109 Ca 0.23 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3kxp h ALA 109 Cb 0.25 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 3kxp h ALA 109 CO -0.01 0.06 -0.03 -0.09 0.00 0.00 0.00 179.25 179.17 3kxp h ARG 110 N 0.12 0.06 -0.64 0.00 1.12 -0.71 -1.11 114.38 113.22 3kxp h ARG 110 Ca 0.05 -0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 58.86 3kxp h ARG 110 Cb 0.48 -0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.41 3kxp h ARG 110 CO 0.02 0.04 0.15 -0.91 -3.11 0.00 0.00 179.97 176.16 3kxp h ASN 111 N 0.06 0.98 -0.22 -3.80 2.35 -1.18 -2.62 115.58 111.15 3kxp h ASN 111 Ca 0.16 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.65 3kxp h ASN 111 Cb 0.23 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 3kxp h ASN 111 CO -0.30 0.97 0.03 0.28 -1.65 0.00 0.00 177.43 176.76 3kxp h SER 112 N 0.96 0.35 -0.44 5.81 0.02 -0.51 -1.03 113.55 118.71 3kxp h SER 112 Ca 0.20 -0.27 -0.07 0.00 -0.84 0.00 0.00 61.79 60.81 3kxp h SER 112 Cb 0.37 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 3kxp h SER 112 CO 0.00 0.53 0.03 0.58 -1.14 0.00 0.00 176.83 176.84 3kxp h VAL 113 N 0.16 1.24 -0.48 2.27 2.07 -1.24 -0.11 116.25 120.16 3kxp h VAL 113 Ca 0.07 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 3kxp h VAL 113 Cb 0.33 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3kxp h VAL 113 CO 0.01 0.35 0.21 0.74 0.02 0.00 0.00 177.57 178.90 3kxp h THR 114 N 0.78 1.20 -0.75 2.57 2.02 -1.34 -0.85 112.91 116.54 3kxp h THR 114 Ca 0.16 -0.58 -0.05 0.00 0.77 0.00 0.00 66.41 66.71 3kxp h THR 114 Cb 0.42 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 3kxp h THR 114 CO 0.02 0.22 0.29 0.00 0.37 0.00 0.00 175.52 176.41 3kxp h ALA 115 N 1.06 0.97 -0.08 6.16 0.00 -0.78 -1.72 119.26 124.87 3kxp h ALA 115 Ca 0.16 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3kxp h ALA 115 Cb 0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kxp h ALA 115 CO -0.02 0.60 -0.34 0.00 0.00 0.00 0.00 179.25 179.49 3kxp h ALA 116 N 1.14 1.28 -0.04 0.00 0.00 -0.68 0.58 119.26 121.53 3kxp h ALA 116 Ca 0.25 -0.35 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 3kxp h ALA 116 Cb 0.23 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3kxp h ALA 116 CO -0.02 0.50 -0.78 0.00 0.00 0.00 0.00 179.25 178.96 3kxp h ALA 117 N 1.51 0.58 0.00 0.00 0.00 -0.77 -3.06 119.26 117.53 3kxp h ALA 117 Ca 0.02 -0.64 -0.26 0.00 0.00 0.00 0.00 54.91 54.02 3kxp h ALA 117 Cb 0.68 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 3kxp h ALA 117 CO 0.05 0.80 -1.64 1.17 0.00 0.00 0.00 179.25 179.63 3kxp n LYS 118 N -3.78 0.63 -3.18 0.00 4.81 -0.68 -4.57 118.16 111.39 3kxp n LYS 118 Ca -0.04 0.28 -0.23 0.00 -0.87 0.00 0.00 58.31 57.44 3kxp n LYS 118 Cb 0.74 -1.80 -0.05 0.00 0.02 0.00 0.00 35.03 33.94 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 -3.00 1.60 -0.15 5.64 4.02 0.20 -4.95 117.16 120.52 3kxp n TYR 119 Ca -0.15 -3.86 0.11 0.00 -0.01 0.00 0.00 57.90 53.99 3kxp n TYR 119 Cb 1.00 -0.44 0.44 0.00 -0.02 0.00 0.00 39.34 40.32 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 3.49 0.53 0.00 -0.72 0.13 -1.72 -1.54 132.00 132.16 3kxp h PRO 120 Ca 0.12 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3kxp h PRO 120 Cb 0.78 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.79 3kxp h PRO 120 CO 0.63 0.35 0.00 -0.25 -0.23 0.00 0.00 178.00 178.50 3kxp n ASP 121 N -4.49 0.70 -0.00 1.44 10.43 -1.26 -2.36 116.55 121.01 3kxp n ASP 121 Ca 0.12 0.67 0.10 0.00 2.57 0.00 0.00 54.79 58.25 3kxp n ASP 121 Cb 0.38 -0.82 -0.13 0.00 1.84 0.00 0.00 41.12 42.39 3kxp n ASP 121 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3kxp n LEU 122 N -2.27 0.72 -4.34 0.64 4.77 -0.60 -4.73 117.00 111.20 3kxp n LEU 122 Ca 0.02 -0.37 -0.33 0.00 -0.03 0.00 0.00 56.01 55.30 3kxp n LEU 122 Cb 0.23 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.17 3kxp n LEU 122 CO 0.20 0.18 -0.46 -0.69 -1.33 0.00 0.00 177.39 175.29 3kxp s VAL 123 N -3.12 2.89 -0.14 4.08 1.01 -1.00 -1.58 120.40 122.55 3kxp s VAL 123 Ca 0.04 -0.71 -0.26 0.00 0.00 0.00 0.00 61.98 61.05 3kxp s VAL 123 Cb 0.15 -2.21 -0.26 0.00 0.00 0.00 0.00 36.38 34.07 3kxp s VAL 123 CO 0.87 0.52 0.66 -0.09 0.00 0.00 0.00 175.10 177.07 3kxp h ARG 124 N 6.82 0.06 -2.57 2.72 2.43 -0.94 -3.46 114.38 119.44 3kxp h ARG 124 Ca -0.26 -0.10 0.12 0.00 -0.81 0.00 0.00 59.98 58.93 3kxp h ARG 124 Cb 1.21 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 30.71 3kxp h ARG 124 CO 0.55 1.05 0.39 -1.54 -1.51 0.00 0.00 179.97 178.91 3kxp s SER 125 N -6.51 -0.26 0.00 -3.80 1.04 -1.25 -4.27 113.70 98.65 3kxp s SER 125 Ca -0.20 -0.36 0.02 0.00 0.48 0.00 0.00 55.95 55.89 3kxp s SER 125 Cb -0.00 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 3kxp s SER 125 CO 0.70 -0.99 -0.06 -0.69 0.98 0.00 0.00 173.24 173.18 3kxp s VAL 126 N -3.47 0.48 -0.35 5.02 1.01 0.29 -0.73 120.40 122.64 3kxp s VAL 126 Ca 0.10 -0.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.71 3kxp s VAL 126 Cb -0.02 -0.42 0.09 0.00 0.00 0.00 0.00 36.38 36.02 3kxp s VAL 126 CO 0.00 0.06 0.08 -0.69 0.00 0.00 0.00 175.10 174.56 3kxp s VAL 127 N -0.31 2.82 -0.57 2.92 1.01 0.91 -0.41 120.40 126.78 3kxp s VAL 127 Ca 0.01 -1.95 -0.19 0.00 0.00 0.00 0.00 61.98 59.84 3kxp s VAL 127 Cb -0.03 -2.88 0.09 0.00 0.00 0.00 0.00 36.38 33.56 3kxp s VAL 127 CO -0.00 -0.47 0.69 0.00 0.00 0.00 0.00 175.10 175.32 3kxp s ALA 128 N 1.09 3.39 -0.45 5.51 0.00 -0.44 -1.48 121.76 129.38 3kxp s ALA 128 Ca 0.04 -2.07 -0.21 0.00 0.00 0.00 0.00 51.96 49.73 3kxp s ALA 128 Cb -0.21 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.45 3kxp s ALA 128 CO -0.05 -2.26 0.68 0.42 0.00 0.00 0.00 175.76 174.55 3kxp s ILE 129 N 2.72 4.78 -1.05 0.00 1.01 0.11 -1.96 121.20 126.81 3kxp s ILE 129 Ca 0.13 0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.78 3kxp s ILE 129 Cb -0.22 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 37.95 3kxp s ILE 129 CO 0.08 -0.67 0.85 -0.67 0.00 0.00 0.00 174.94 174.54 3kxp n ASP 130 N 6.39 -6.28 -3.15 3.58 2.03 0.14 -0.20 116.55 119.05 3kxp n ASP 130 Ca -0.01 -0.77 0.05 0.00 0.52 0.00 0.00 54.79 54.58 3kxp n ASP 130 Cb 0.48 -4.53 -0.00 0.00 -0.72 0.00 0.00 41.12 36.34 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 -3.37 -0.96 0.52 -0.67 2.19 -1.26 -3.95 117.98 110.47 3kxp s PHE 131 Ca 0.42 0.58 0.01 0.00 0.33 0.00 0.00 56.93 58.27 3kxp s PHE 131 Cb -0.09 0.17 -0.01 0.00 -1.31 0.00 0.00 43.02 41.78 3kxp s PHE 131 CO 0.79 -0.56 0.01 0.95 1.83 0.00 0.00 175.22 178.23 3kxp s THR 132 N 2.91 1.13 0.97 0.12 -4.23 -1.26 -4.62 115.64 110.66 3kxp s THR 132 Ca 0.21 -1.99 -0.16 0.00 -1.18 0.00 0.00 61.69 58.56 3kxp s THR 132 Cb -0.05 -2.13 0.21 0.00 1.34 0.00 0.00 72.50 71.87 3kxp s THR 132 CO -0.24 0.00 1.33 -2.84 -0.54 0.00 0.00 174.62 172.33 3kxp s PRO 133 N -3.89 0.58 -0.34 3.99 0.02 -1.26 -4.22 135.00 129.88 3kxp s PRO 133 Ca 0.05 -0.43 0.00 0.00 0.02 0.00 0.00 61.00 60.63 3kxp s PRO 133 Cb 0.01 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.69 3kxp s PRO 133 CO 0.02 -2.45 0.00 0.66 -0.33 0.00 0.00 177.00 174.90 3kxp n TYR 134 N -3.79 0.00 -1.80 6.54 4.02 -1.26 -4.81 117.16 116.07 3kxp n TYR 134 Ca 0.16 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.62 3kxp n TYR 134 Cb 0.59 -1.62 -0.03 0.00 -0.02 0.00 0.00 39.34 38.27 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 -1.60 2.61 0.49 -0.72 1.01 -1.26 -4.74 121.20 117.00 3kxp s ILE 135 Ca 0.00 0.21 -0.23 0.00 0.00 0.00 0.00 60.65 60.63 3kxp s ILE 135 Cb 0.00 -3.14 -0.06 0.00 0.01 0.00 0.00 42.46 39.27 3kxp s ILE 135 CO 0.00 0.00 1.29 -1.83 0.00 0.00 0.00 174.94 174.41 3kxp s GLU 136 N 2.31 3.48 0.32 2.79 1.03 -1.26 -4.89 118.70 122.47 3kxp s GLU 136 Ca 0.77 2.08 0.08 0.00 0.03 0.00 0.00 54.97 57.93 3kxp s GLU 136 Cb -0.45 -2.39 0.79 0.00 -0.80 0.00 0.00 34.13 31.29 3kxp s GLU 136 CO 0.34 -0.87 1.79 1.15 -1.33 0.00 0.00 175.26 176.34 3kxp h THR 137 N 1.76 0.71 -0.15 1.83 2.02 -2.00 -0.95 112.91 116.13 3kxp h THR 137 Ca -0.50 -0.25 -0.05 0.00 0.77 0.00 0.00 66.41 66.39 3kxp h THR 137 Cb 1.27 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 3kxp h THR 137 CO 0.59 0.13 -0.11 -0.33 0.37 0.00 0.00 175.52 176.17 3kxp h GLU 138 N 0.71 0.23 -0.26 6.66 3.07 -1.99 0.10 114.58 123.11 3kxp h GLU 138 Ca 0.56 -0.05 -0.12 0.00 -0.50 0.00 0.00 59.36 59.25 3kxp h GLU 138 Cb 0.94 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.81 3kxp h GLU 138 CO -0.34 0.36 -0.29 0.00 -1.40 0.00 0.00 179.01 177.33 3kxp h ALA 139 N 1.67 0.39 -0.61 3.43 0.00 -1.47 -1.90 119.26 120.76 3kxp h ALA 139 Ca 0.05 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 3kxp h ALA 139 Cb 0.34 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3kxp h ALA 139 CO 0.02 0.40 -0.00 -0.07 0.00 0.00 0.00 179.25 179.60 3kxp h LEU 140 N 0.38 1.06 -0.80 0.00 3.38 -1.22 -1.08 115.31 117.03 3kxp h LEU 140 Ca 0.04 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.75 3kxp h LEU 140 Cb 0.86 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 3kxp h LEU 140 CO 0.07 1.11 0.49 0.44 0.09 0.00 0.00 178.44 180.64 3kxp h ASP 141 N 0.98 0.78 -0.36 -0.43 3.32 -0.71 0.06 116.42 120.07 3kxp h ASP 141 Ca 0.17 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 3kxp h ASP 141 Cb 0.57 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3kxp h ASP 141 CO 0.03 0.51 0.12 0.00 -1.72 0.00 0.00 179.24 178.18 3kxp h ALA 142 N 1.37 0.46 0.01 3.45 0.00 -0.93 -1.62 119.26 122.00 3kxp h ALA 142 Ca 0.34 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kxp h ALA 142 Cb 0.12 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3kxp h ALA 142 CO -0.15 0.09 -0.00 1.25 0.00 0.00 0.00 179.25 180.44 3kxp h LEU 143 N 0.42 -0.01 -0.04 0.00 5.85 -0.56 -2.63 115.31 118.35 3kxp h LEU 143 Ca 0.12 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.86 3kxp h LEU 143 Cb 0.23 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 3kxp h LEU 143 CO -0.01 -0.00 -0.13 -0.08 -0.34 0.00 0.00 178.44 177.88 3kxp h GLU 144 N -0.01 -0.20 -0.37 1.25 4.81 -0.91 -1.89 114.58 117.26 3kxp h GLU 144 Ca -0.00 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.31 3kxp h GLU 144 Cb 0.01 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3kxp h GLU 144 CO 0.00 -0.13 0.25 0.00 -0.73 0.00 0.00 179.01 178.40 3kxp h ALA 145 N 0.78 2.08 -0.01 2.92 0.00 -1.24 -1.95 119.26 121.84 3kxp h ALA 145 Ca 0.06 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 3kxp h ALA 145 Cb 0.28 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.04 3kxp h ALA 145 CO -0.16 -0.16 -0.62 0.00 0.00 0.00 0.00 179.25 178.31 3kxp h ARG 146 N 0.21 0.45 -0.47 0.00 3.08 -1.04 -3.31 114.38 113.30 3kxp h ARG 146 Ca 0.17 -0.46 -0.11 0.00 0.07 0.00 0.00 59.98 59.65 3kxp h ARG 146 Cb 0.40 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 3kxp h ARG 146 CO -0.03 1.11 -0.13 -0.39 -1.07 0.00 0.00 179.97 179.46 3kxp h VAL 147 N -0.04 1.27 0.00 2.04 -1.51 -1.03 -2.88 116.25 114.10 3kxp h VAL 147 Ca -0.07 -1.27 0.00 0.00 -1.23 0.00 0.00 66.70 64.13 3kxp h VAL 147 Cb 1.32 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.60 3kxp h VAL 147 CO 0.12 0.44 0.00 0.59 -1.23 0.00 0.00 177.57 177.49 3kxp n ASN 148 N -4.22 0.50 -2.73 4.19 3.02 -0.76 -3.06 115.26 112.20 3kxp n ASN 148 Ca -0.00 -1.48 -0.04 0.00 -0.03 0.00 0.00 54.58 53.03 3kxp n ASN 148 Cb 0.40 -0.25 0.04 0.00 -0.61 0.00 0.00 39.78 39.37 3kxp n ASN 148 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kxp n ALA 149 N -0.07 2.97 0.00 5.41 0.00 -1.09 -4.85 120.51 122.88 3kxp n ALA 149 Ca 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 53.44 50.51 3kxp n ALA 149 Cb 0.13 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.74 3kxp n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kxp n GLY 150 N -0.52 0.00 3.58 0.00 0.00 -1.17 -4.95 105.19 102.13 3kxp n GLY 150 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.43 4.78 0.00 1.61 0.15 -1.26 -4.77 113.70 112.77 3kxp s SER 151 Ca 0.00 -1.54 0.00 0.00 0.70 0.00 0.00 55.95 55.11 3kxp s SER 151 Cb 0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 3kxp s SER 151 CO 0.00 -3.34 0.00 0.00 1.20 0.00 0.00 173.24 171.10 3kxp n GLN 152 N 8.27 2.13 -4.47 5.44 10.64 -1.26 -5.04 117.38 133.09 3kxp n GLN 152 Ca 0.44 0.00 -0.28 0.00 -1.83 0.00 0.00 57.00 55.33 3kxp n GLN 152 Cb 0.47 0.00 -0.17 0.00 -0.86 0.00 0.00 30.24 29.68 3kxp n GLN 152 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 3kxp s LEU 153 N 0.00 1.70 -0.01 2.61 2.96 -1.26 -4.37 118.68 120.30 3kxp s LEU 153 Ca 0.00 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 3kxp s LEU 153 Cb 0.00 -1.05 -0.03 0.00 0.50 0.00 0.00 46.19 45.61 3kxp s LEU 153 CO 0.00 0.02 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.67 3kxp s PHE 154 N 0.96 3.05 0.32 5.38 0.40 0.07 -4.94 117.98 123.22 3kxp s PHE 154 Ca -0.08 0.07 0.01 0.00 -0.60 0.00 0.00 56.93 56.34 3kxp s PHE 154 Cb -0.15 -1.68 0.53 0.00 0.51 0.00 0.00 43.02 42.23 3kxp s PHE 154 CO -0.01 0.44 1.90 1.49 0.70 0.00 0.00 175.22 179.74 3kxp h GLU 155 N 4.50 0.76 -2.16 0.44 4.81 -1.87 0.11 114.58 121.17 3kxp h GLU 155 Ca -0.49 -0.12 0.32 0.00 -0.13 0.00 0.00 59.36 58.94 3kxp h GLU 155 Cb 1.18 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.36 3kxp h GLU 155 CO 0.56 0.63 0.86 0.16 -0.73 0.00 0.00 179.01 180.50 3kxp s ASP 156 N -6.59 0.00 0.29 1.04 -4.77 -1.26 -4.64 116.67 100.75 3kxp s ASP 156 Ca -0.09 -0.26 0.04 0.00 -3.30 0.00 0.00 52.55 48.94 3kxp s ASP 156 Cb 0.16 0.19 0.73 0.00 -1.09 0.00 0.00 42.92 42.91 3kxp s ASP 156 CO 0.78 -0.38 1.70 -0.29 0.70 0.00 0.00 175.17 177.68 3kxp h ILE 157 N 2.00 0.50 0.23 2.11 6.09 -1.96 -1.39 117.51 125.08 3kxp h ILE 157 Ca -0.23 -0.15 -0.01 0.00 -1.37 0.00 0.00 64.86 63.11 3kxp h ILE 157 Cb 1.19 0.03 -0.00 0.00 0.47 0.00 0.00 36.82 38.50 3kxp h ILE 157 CO 0.32 0.08 -0.14 0.11 -3.07 0.00 0.00 178.15 175.45 3kxp h LYS 158 N 0.43 -0.33 -0.80 2.19 1.57 -1.99 -1.17 116.57 116.46 3kxp h LYS 158 Ca 0.56 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.50 3kxp h LYS 158 Cb 1.05 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 33.38 3kxp h LYS 158 CO -0.51 -0.22 0.53 0.00 -0.57 0.00 0.00 179.45 178.67 3kxp h ALA 159 N 0.42 1.98 -0.16 3.86 0.00 -1.67 0.24 119.26 123.93 3kxp h ALA 159 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3kxp h ALA 159 Cb 0.29 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3kxp h ALA 159 CO 0.03 -0.19 -0.15 0.28 0.00 0.00 0.00 179.25 179.22 3kxp h VAL 160 N 0.54 1.34 -0.46 0.00 2.07 -0.90 -1.87 116.25 116.97 3kxp h VAL 160 Ca 0.39 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 3kxp h VAL 160 Cb 0.75 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 3kxp h VAL 160 CO -0.15 0.38 0.24 -0.33 0.02 0.00 0.00 177.57 177.74 3kxp h GLU 161 N 0.03 0.65 -0.40 1.57 5.08 -0.17 0.41 114.58 121.75 3kxp h GLU 161 Ca 0.03 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3kxp h GLU 161 Cb 0.68 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 3kxp h GLU 161 CO 0.04 0.52 0.20 0.00 -1.00 0.00 0.00 179.01 178.77 3kxp h ALA 162 N 1.09 0.49 -0.64 3.43 0.00 -1.00 0.35 119.26 122.99 3kxp h ALA 162 Ca 0.16 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3kxp h ALA 162 Cb 0.07 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3kxp h ALA 162 CO -0.02 -0.16 0.23 -0.92 0.00 0.00 0.00 179.25 178.38 3kxp h TYR 163 N 0.41 0.96 -0.05 0.00 3.20 -0.97 -1.88 116.97 118.64 3kxp h TYR 163 Ca 0.17 -0.07 -0.20 0.00 3.14 0.00 0.00 58.73 61.77 3kxp h TYR 163 Cb 0.08 -0.29 0.01 0.00 1.54 0.00 0.00 36.73 38.07 3kxp h TYR 163 CO -0.10 0.75 -0.73 -0.07 -1.64 0.00 0.00 178.16 176.37 3kxp h LEU 164 N 0.93 0.74 -1.19 2.82 3.38 -0.32 -2.08 115.31 119.58 3kxp h LEU 164 Ca 0.21 -0.70 0.05 0.00 0.09 0.00 0.00 57.88 57.53 3kxp h LEU 164 Cb 0.22 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 3kxp h LEU 164 CO -0.01 1.33 0.57 0.00 0.09 0.00 0.00 178.44 180.41 3kxp h ALA 165 N 0.42 1.51 -0.05 1.53 0.00 -0.20 0.43 119.26 122.90 3kxp h ALA 165 Ca -0.08 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 3kxp h ALA 165 Cb 1.40 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3kxp h ALA 165 CO 0.15 0.38 -0.67 0.78 0.00 0.00 0.00 179.25 179.88 3kxp h GLY 166 N 1.02 0.26 1.45 0.00 0.00 -1.32 -2.47 103.07 102.01 3kxp h GLY 166 Ca 0.36 -0.36 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 3kxp h GLY 166 CO -0.12 0.32 -1.04 -0.09 0.00 0.00 0.00 176.54 175.61 3kxp h ARG 167 N 0.17 0.48 -2.58 4.80 2.43 -0.49 -3.37 114.38 115.82 3kxp h ARG 167 Ca -0.02 -0.56 -0.60 0.00 -0.81 0.00 0.00 59.98 57.99 3kxp h ARG 167 Cb 1.21 0.17 -0.41 0.00 -0.42 0.00 0.00 29.97 30.52 3kxp h ARG 167 CO 0.10 1.20 -0.73 0.66 -1.51 0.00 0.00 179.97 179.69 3kxp n TYR 168 N -3.75 2.03 0.33 2.20 4.02 0.14 -4.97 117.16 117.16 3kxp n TYR 168 Ca -0.09 -3.97 0.22 0.00 -0.01 0.00 0.00 57.90 54.05 3kxp n TYR 168 Cb 0.89 -0.39 1.13 0.00 -0.02 0.00 0.00 39.34 40.95 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 4.97 0.00 0.00 -0.72 0.13 -1.61 -2.77 132.00 131.99 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 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3kxp h PRO 169 CO 0.64 0.00 -1.08 0.09 -0.23 0.00 0.00 178.00 177.42 3kxp n ASN 170 N -3.07 0.67 -4.71 1.44 3.02 -1.26 -4.88 115.26 106.47 3kxp n ASN 170 Ca -0.02 0.14 -0.42 0.00 -0.03 0.00 0.00 54.58 54.25 3kxp n ASN 170 Cb 0.11 0.67 -0.03 0.00 -0.61 0.00 0.00 39.78 39.92 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 -3.32 3.70 0.76 2.41 1.01 -1.05 -4.83 121.20 119.88 3kxp s ILE 171 Ca 0.00 1.20 -0.15 0.00 0.00 0.00 0.00 60.65 61.70 3kxp s ILE 171 Cb 0.12 -3.77 0.02 0.00 0.01 0.00 0.00 42.46 38.84 3kxp s ILE 171 CO 0.80 0.07 0.92 -2.65 0.00 0.00 0.00 174.94 174.08 3kxp n PRO 172 N 4.25 0.35 -0.13 2.79 -0.02 -1.26 -4.73 135.00 136.24 3kxp n PRO 172 Ca 0.11 0.18 -0.04 0.00 -2.02 0.00 0.00 63.50 61.72 3kxp n PRO 172 Cb 0.44 -2.19 0.03 0.00 -0.02 0.00 0.00 33.50 31.75 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 -0.51 0.33 -0.93 3.55 0.00 -1.98 -1.35 119.26 118.36 3kxp h ALA 173 Ca -0.47 0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.61 3kxp h ALA 173 Cb 1.32 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 19.33 3kxp h ALA 173 CO 0.45 -0.43 0.61 0.38 0.00 0.00 0.00 179.25 180.27 3kxp h ASP 174 N 0.05 1.03 0.45 0.00 3.04 -1.99 -0.96 116.42 118.04 3kxp h ASP 174 Ca 0.20 -0.02 -0.13 0.00 -3.24 0.00 0.00 57.03 53.84 3kxp h ASP 174 Cb 0.30 -0.24 -0.01 0.00 -1.04 0.00 0.00 39.33 38.33 3kxp h ASP 174 CO -0.39 0.72 -0.59 0.00 -2.04 0.00 0.00 179.24 176.95 3kxp h ALA 175 N 1.44 0.94 -0.37 4.15 0.00 -1.76 -1.86 119.26 121.80 3kxp h ALA 175 Ca 0.36 -0.53 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 3kxp h ALA 175 Cb -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3kxp h ALA 175 CO -0.10 0.72 -0.28 0.82 0.00 0.00 0.00 179.25 180.41 3kxp h ILE 176 N 0.11 1.28 -0.67 0.00 1.08 -0.58 -2.23 117.51 116.50 3kxp h ILE 176 Ca -0.00 -1.41 -0.08 0.00 -0.39 0.00 0.00 64.86 62.97 3kxp h ILE 176 Cb 1.06 1.29 -0.03 0.00 -3.07 0.00 0.00 36.82 36.08 3kxp h ILE 176 CO 0.08 0.47 0.11 -0.09 -0.69 0.00 0.00 178.15 178.03 3kxp h ARG 177 N 0.66 1.10 -0.55 2.37 9.65 -0.91 -0.71 114.38 125.99 3kxp h ARG 177 Ca 0.08 -0.29 -0.03 0.00 -1.10 0.00 0.00 59.98 58.64 3kxp h ARG 177 Cb 0.80 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.23 3kxp h ARG 177 CO 0.07 1.01 0.23 0.82 2.80 0.00 0.00 179.97 184.89 3kxp h ILE 178 N 1.03 1.22 -0.56 1.20 2.04 -1.14 -0.84 117.51 120.46 3kxp h ILE 178 Ca 0.20 -0.67 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 3kxp h ILE 178 Cb 0.44 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3kxp h ILE 178 CO 0.01 0.26 0.19 0.03 0.00 0.00 0.00 178.15 178.64 3kxp h ARG 179 N 0.75 0.86 -0.99 2.37 3.08 -1.15 -2.08 114.38 117.21 3kxp h ARG 179 Ca 0.18 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 60.06 3kxp h ARG 179 Cb 0.19 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 3kxp h ARG 179 CO -0.02 0.78 0.65 0.00 -1.07 0.00 0.00 179.97 180.31 3kxp h ALA 180 N 1.05 1.26 0.00 0.04 0.00 -0.74 -0.70 119.26 120.18 3kxp h ALA 180 Ca 0.18 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.81 3kxp h ALA 180 Cb 0.26 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3kxp h ALA 180 CO -0.01 0.67 -1.06 0.93 0.00 0.00 0.00 179.25 179.78 3kxp h GLU 181 N 1.36 0.00 0.00 0.00 5.08 -1.02 -3.34 114.58 116.65 3kxp h GLU 181 Ca 0.36 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.55 3kxp h GLU 181 Cb -0.13 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 3kxp h GLU 181 CO -0.08 0.84 -1.96 -1.13 -1.00 0.00 0.00 179.01 175.68 3kxp n SER 182 N -3.27 0.24 -0.72 1.42 3.41 -0.80 -4.46 113.62 109.45 3kxp n SER 182 Ca -0.03 0.10 0.13 0.00 -0.26 0.00 0.00 58.87 58.81 3kxp n SER 182 Cb 0.93 1.14 0.25 0.00 -0.26 0.00 0.00 64.21 66.27 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 1.46 0.50 3.08 5.00 0.00 -0.28 -4.91 105.19 110.04 3kxp n GLY 183 Ca -0.16 -0.59 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.06 1.56 -0.07 1.61 1.51 -1.25 -0.46 117.35 118.18 3kxp s TYR 184 Ca 0.30 -0.50 0.02 0.00 -1.01 0.00 0.00 57.07 55.88 3kxp s TYR 184 Cb 0.20 -1.09 -0.03 0.00 -0.11 0.00 0.00 41.96 40.94 3kxp s TYR 184 CO 0.35 -0.21 -0.11 1.14 -1.11 0.00 0.00 175.55 175.61 3kxp s GLN 185 N 0.30 2.70 0.29 -0.62 -2.07 -0.16 -4.88 119.66 115.21 3kxp s GLN 185 Ca -0.08 -0.63 -0.29 0.00 -1.82 0.00 0.00 55.36 52.54 3kxp s GLN 185 Cb -0.13 -2.50 -0.10 0.00 -1.09 0.00 0.00 33.01 29.19 3kxp s GLN 185 CO 0.03 0.61 1.25 -1.25 -1.32 0.00 0.00 175.29 174.61 3kxp s PRO 186 N -0.67 4.43 0.00 9.60 0.04 -1.26 -1.22 135.00 145.93 3kxp s PRO 186 Ca 0.10 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.22 3kxp s PRO 186 Cb -0.11 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.31 3kxp s PRO 186 CO 0.01 -0.10 0.00 1.33 0.04 0.00 0.00 177.00 178.29 3kxp n VAL 187 N 1.23 0.00 -1.61 -0.36 0.24 0.26 -4.90 118.33 113.18 3kxp n VAL 187 Ca 0.01 0.00 -0.49 0.00 -2.04 0.00 0.00 64.34 61.82 3kxp n VAL 187 Cb 0.43 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.74 3kxp n VAL 187 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3kxp n ASP 188 N -1.76 3.04 0.00 -1.34 9.92 -1.26 -2.25 116.55 122.90 3kxp n ASP 188 Ca 0.00 0.72 0.00 0.00 -0.53 0.00 0.00 54.79 54.98 3kxp n ASP 188 Cb 0.00 -1.36 0.00 0.00 -0.64 0.00 0.00 41.12 39.12 3kxp n ASP 188 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kxp n GLY 189 N 5.14 2.98 0.00 0.44 0.00 -1.26 -4.89 105.19 107.60 3kxp n GLY 189 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.68 3.84 -0.02 0.00 -0.96 -4.77 105.19 100.60 3kxp n GLY 190 Ca 0.00 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 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 4.07 0.04 0.99 2.01 0.40 0.90 118.68 127.08 3kxp s LEU 191 Ca 0.00 0.14 0.02 0.00 0.01 0.00 0.00 54.13 54.29 3kxp s LEU 191 Cb 0.00 -2.67 -0.02 0.00 0.01 0.00 0.00 46.19 43.51 3kxp s LEU 191 CO 0.00 0.18 -0.07 -0.60 1.01 0.00 0.00 176.35 176.87 3kxp s ARG 192 N -2.36 0.50 0.56 1.70 3.52 -0.36 -0.75 118.95 121.76 3kxp s ARG 192 Ca 0.31 -0.74 -0.21 0.00 -0.13 0.00 0.00 55.73 54.96 3kxp s ARG 192 Cb -0.13 -0.22 -0.05 0.00 -1.56 0.00 0.00 34.95 33.00 3kxp s ARG 192 CO 0.24 0.03 1.34 -2.30 -0.81 0.00 0.00 175.30 173.80 3kxp n PRO 193 N 1.46 1.60 0.03 5.12 -0.02 -1.26 -0.99 135.00 140.94 3kxp n PRO 193 Ca -0.23 0.59 -0.14 0.00 -2.02 0.00 0.00 63.50 61.70 3kxp n PRO 193 Cb 0.55 -2.55 -0.04 0.00 -0.02 0.00 0.00 33.50 31.44 3kxp n PRO 193 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3kxp h LEU 194 N 1.30 0.70 -9.94 2.45 3.38 -1.11 -3.44 115.31 108.65 3kxp h LEU 194 Ca -0.51 -0.49 -0.53 0.00 0.09 0.00 0.00 57.88 56.44 3kxp h LEU 194 Cb 1.31 -0.21 0.10 0.00 0.09 0.00 0.00 40.66 41.95 3kxp h LEU 194 CO 0.56 1.27 0.72 0.00 0.09 0.00 0.00 178.44 181.08 3kxp s ALA 195 N -3.54 3.46 -0.08 1.53 0.00 -1.26 -4.65 121.76 117.23 3kxp s ALA 195 Ca -0.08 1.45 -0.30 0.00 0.00 0.00 0.00 51.96 53.04 3kxp s ALA 195 Cb 0.09 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 3kxp s ALA 195 CO 0.88 -0.97 1.35 0.45 0.00 0.00 0.00 175.76 177.47 3kxp s SER 196 N -0.35 6.90 0.30 0.00 0.15 -0.72 -4.90 113.70 115.07 3kxp s SER 196 Ca 0.54 1.92 -0.01 0.00 0.70 0.00 0.00 55.95 59.10 3kxp s SER 196 Cb -0.44 -2.55 0.46 0.00 -1.71 0.00 0.00 66.02 61.78 3kxp s SER 196 CO 0.58 -0.73 1.91 0.77 1.20 0.00 0.00 173.24 176.97 3kxp h SER 197 N 8.12 0.83 -0.67 5.45 4.64 -1.92 -1.87 113.55 128.13 3kxp h SER 197 Ca -0.33 -0.08 -0.07 0.00 -0.47 0.00 0.00 61.79 60.84 3kxp h SER 197 Cb 1.15 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 63.00 3kxp h SER 197 CO 0.93 0.69 0.15 0.00 -0.87 0.00 0.00 176.83 177.74 3kxp h ALA 198 N 1.44 0.98 0.00 5.18 0.00 -1.99 -1.44 119.26 123.43 3kxp h ALA 198 Ca 0.23 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kxp h ALA 198 Cb 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3kxp h ALA 198 CO -0.03 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.87 3kxp n ALA 199 N -2.46 1.54 0.00 0.00 0.00 -0.71 -2.20 120.51 116.68 3kxp n ALA 199 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3kxp n ALA 199 Cb 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 0.74 0.00 -0.04 0.00 0.00 -0.54 -1.39 120.51 119.27 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 0.07 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.59 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 0.68 -0.31 0.00 4.20 -1.72 -2.47 115.11 115.49 3kxp h GLN 202 Ca 0.00 -0.34 -0.07 0.00 0.06 0.00 0.00 58.65 58.30 3kxp h GLN 202 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3kxp h GLN 202 CO 0.00 0.95 -0.08 1.15 -0.67 0.00 0.00 178.83 180.18 3kxp h THR 203 N 0.56 1.28 -0.32 -0.54 2.02 -1.43 0.20 112.91 114.69 3kxp h THR 203 Ca 0.05 -1.13 0.05 0.00 0.77 0.00 0.00 66.41 66.15 3kxp h THR 203 Cb 0.91 1.39 -0.05 0.00 -1.74 0.00 0.00 68.15 68.66 3kxp h THR 203 CO 0.08 0.36 0.03 0.00 0.37 0.00 0.00 175.52 176.36 3kxp h ALA 204 N 0.79 0.31 -0.51 6.16 0.00 -1.81 0.35 119.26 124.55 3kxp h ALA 204 Ca 0.08 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3kxp h ALA 204 Cb 0.58 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 3kxp h ALA 204 CO 0.03 -0.38 0.25 -0.09 0.00 0.00 0.00 179.25 179.06 3kxp h ARG 205 N 0.13 0.46 0.00 0.00 2.43 -1.29 -1.38 114.38 114.73 3kxp h ARG 205 Ca 0.15 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3kxp h ARG 205 Cb 0.18 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3kxp h ARG 205 CO -0.23 0.31 0.00 0.78 -1.51 0.00 0.00 179.97 179.32 3kxp h GLY 206 N 0.48 0.00 2.00 2.80 0.00 0.57 -2.53 103.07 106.39 3kxp h GLY 206 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3kxp h GLY 206 CO -0.17 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.78 3kxp h LEU 207 N 0.00 0.00 -0.31 3.11 3.38 0.18 -3.06 115.31 118.62 3kxp h LEU 207 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kxp h LEU 207 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3kxp h LEU 207 CO 0.00 0.00 0.00 0.03 0.09 0.00 0.00 178.44 178.56 3kxp h ARG 208 N 0.00 0.00 -6.92 1.13 3.08 -1.53 -3.47 114.38 106.67 3kxp h ARG 208 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3kxp h ARG 208 Cb 0.53 0.00 0.15 0.00 0.08 0.00 0.00 29.97 30.72 3kxp h ARG 208 CO 0.00 0.00 0.41 -1.13 -1.07 0.00 0.00 179.97 178.18 3kxp n SER 209 N -2.53 1.97 -4.67 7.04 3.41 -1.15 -4.88 113.62 112.81 3kxp n SER 209 Ca 0.04 0.94 -0.42 0.00 -0.26 0.00 0.00 58.87 59.17 3kxp n SER 209 Cb 0.40 -1.49 -0.03 0.00 -0.26 0.00 0.00 64.21 62.82 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 -0.97 6.47 0.00 4.04 2.15 -1.26 -4.88 116.67 122.22 3kxp s ASP 210 Ca 0.71 2.64 0.23 0.00 0.43 0.00 0.00 52.55 56.56 3kxp s ASP 210 Cb -0.44 -2.54 0.18 0.00 -0.30 0.00 0.00 42.92 39.82 3kxp s ASP 210 CO 0.50 -1.02 1.21 -0.11 -0.17 0.00 0.00 175.17 175.58 3kxp n LEU 211 N 6.93 2.88 -0.13 -1.34 7.94 -1.26 -4.55 117.00 127.47 3kxp n LEU 211 Ca 0.19 -1.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.05 3kxp n LEU 211 Cb 0.40 0.00 0.04 0.00 0.53 0.00 0.00 43.42 44.39 3kxp n LEU 211 CO 0.66 0.48 0.90 0.58 -1.11 0.00 0.00 177.39 178.91 3kxp h VAL 212 N 4.42 0.77 -0.84 1.96 2.07 -1.96 -2.43 116.25 120.24 3kxp h VAL 212 Ca 0.00 -0.07 0.14 0.00 0.82 0.00 0.00 66.70 67.59 3kxp h VAL 212 Cb 0.94 0.55 -0.09 0.00 -1.52 0.00 0.00 31.29 31.16 3kxp h VAL 212 CO 0.00 0.04 0.43 -0.65 0.02 0.00 0.00 177.57 177.40 3kxp h PRO 213 N 0.20 0.59 0.11 1.57 0.11 -1.98 0.28 132.00 132.89 3kxp h PRO 213 Ca 0.20 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 3kxp h PRO 213 Cb 0.26 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.23 3kxp h PRO 213 CO -0.28 0.39 -0.05 0.00 -0.21 0.00 0.00 178.00 177.86 3kxp h ALA 214 N 1.55 -0.14 -0.20 -0.75 0.00 -1.76 -0.42 119.26 117.53 3kxp h ALA 214 Ca 0.46 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.15 3kxp h ALA 214 Cb 0.64 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3kxp h ALA 214 CO -0.36 -0.47 -0.26 1.88 0.00 0.00 0.00 179.25 180.04 3kxp h TYR 215 N -0.36 0.42 -0.12 0.00 -1.99 -1.18 -1.94 116.97 111.80 3kxp h TYR 215 Ca -0.01 -0.09 -0.11 0.00 2.00 0.00 0.00 58.73 60.52 3kxp h TYR 215 Cb 0.30 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 38.91 3kxp h TYR 215 CO -0.00 0.61 -0.43 -0.09 -0.00 0.00 0.00 178.16 178.24 3kxp h ARG 216 N 0.34 0.27 0.00 4.88 2.43 -0.30 -3.32 114.38 118.68 3kxp h ARG 216 Ca 0.05 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3kxp h ARG 216 Cb 0.64 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3kxp h ARG 216 CO 0.05 0.66 -1.08 -0.25 -1.51 0.00 0.00 179.97 177.84 3kxp n ASP 217 N -4.01 0.92 -4.67 -3.80 8.00 -0.18 -4.97 116.55 107.85 3kxp n ASP 217 Ca -0.02 -0.92 -0.47 0.00 0.71 0.00 0.00 54.79 54.09 3kxp n ASP 217 Cb 0.50 1.08 -0.04 0.00 -0.02 0.00 0.00 41.12 42.63 3kxp n ASP 217 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3kxp n VAL 218 N -1.56 0.17 0.69 2.53 0.31 -0.75 -4.85 118.33 114.87 3kxp n VAL 218 Ca 0.03 -0.03 0.09 0.00 -0.01 0.00 0.00 64.34 64.43 3kxp n VAL 218 Cb 0.35 -1.58 -0.12 0.00 -0.91 0.00 0.00 33.84 31.58 3kxp n VAL 218 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3kxp n THR 219 N 3.86 0.00 -3.60 2.52 -2.24 -1.26 -4.95 114.28 108.61 3kxp n THR 219 Ca 0.19 -0.14 -0.25 0.00 -2.27 0.00 0.00 64.05 61.58 3kxp n THR 219 Cb 0.28 0.77 -0.02 0.00 -2.10 0.00 0.00 70.33 69.25 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 -2.98 3.50 0.27 -0.78 -0.14 -1.26 -5.05 119.74 113.30 3kxp s LYS 220 Ca 0.04 -0.40 -0.30 0.00 -1.36 0.00 0.00 55.97 53.94 3kxp s LYS 220 Cb 0.14 -2.77 -0.13 0.00 -1.68 0.00 0.00 37.83 33.40 3kxp s LYS 220 CO 0.81 0.29 1.47 -2.30 -0.76 0.00 0.00 175.35 174.86 3kxp n PRO 221 N -1.29 2.30 -3.81 -1.68 -0.02 -1.26 -4.88 135.00 124.36 3kxp n PRO 221 Ca -0.05 0.82 -0.21 0.00 -2.02 0.00 0.00 63.50 62.03 3kxp n PRO 221 Cb 0.55 -2.51 -0.17 0.00 -0.02 0.00 0.00 33.50 31.35 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 -0.14 0.27 -0.27 -1.45 1.01 -1.26 -0.55 120.40 118.01 3kxp s VAL 222 Ca 0.65 0.15 -0.13 0.00 0.00 0.00 0.00 61.98 62.66 3kxp s VAL 222 Cb -0.58 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 3kxp s VAL 222 CO 0.51 0.23 0.26 -0.22 0.00 0.00 0.00 175.10 175.87 3kxp s LEU 223 N 1.77 4.03 -0.25 3.92 2.96 0.46 -3.93 118.68 127.64 3kxp s LEU 223 Ca 0.01 0.11 -0.16 0.00 -0.22 0.00 0.00 54.13 53.87 3kxp s LEU 223 Cb -0.13 -2.24 -0.03 0.00 0.50 0.00 0.00 46.19 44.29 3kxp s LEU 223 CO -0.04 -0.10 0.43 -0.63 -1.32 0.00 0.00 176.35 174.69 3kxp s ILE 224 N 1.86 5.14 -0.12 6.68 1.01 -0.58 -1.33 121.20 133.87 3kxp s ILE 224 Ca 0.10 0.71 0.03 0.00 0.00 0.00 0.00 60.65 61.49 3kxp s ILE 224 Cb -0.16 -3.75 -0.00 0.00 0.01 0.00 0.00 42.46 38.56 3kxp s ILE 224 CO 0.10 0.15 -0.21 -0.69 0.00 0.00 0.00 174.94 174.30 3kxp s VAL 225 N 2.03 2.34 0.08 2.92 1.01 -0.83 -0.81 120.40 127.14 3kxp s VAL 225 Ca 0.18 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.31 3kxp s VAL 225 Cb -0.16 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 3kxp s VAL 225 CO 0.09 0.55 -0.18 -0.60 0.00 0.00 0.00 175.10 174.96 3kxp s ARG 226 N 0.44 1.00 -0.03 2.72 3.52 -0.41 0.25 118.95 126.44 3kxp s ARG 226 Ca -0.15 -1.05 -0.20 0.00 -0.13 0.00 0.00 55.73 54.21 3kxp s ARG 226 Cb -0.17 -1.14 -0.05 0.00 -1.56 0.00 0.00 34.95 32.03 3kxp s ARG 226 CO 0.06 0.26 0.55 0.20 -0.81 0.00 0.00 175.30 175.57 3kxp s GLY 227 N -1.77 2.55 0.24 8.12 0.00 -1.26 -0.92 107.32 114.28 3kxp s GLY 227 Ca 0.03 -0.04 -0.07 0.00 0.00 0.00 0.00 44.72 44.64 3kxp s GLY 227 CO 0.03 0.70 1.65 -2.09 0.00 0.00 0.00 173.10 173.39 3kxp h GLU 228 N 5.78 0.13 -0.58 2.90 4.81 0.13 -2.08 114.58 125.67 3kxp h GLU 228 Ca -0.45 -0.01 -0.29 0.00 -0.13 0.00 0.00 59.36 58.48 3kxp h GLU 228 Cb 1.20 -0.03 -0.17 0.00 0.63 0.00 0.00 28.75 30.38 3kxp h GLU 228 CO 0.70 0.08 0.18 -1.13 -0.73 0.00 0.00 179.01 178.11 3kxp n SER 229 N -5.30 3.03 -4.74 1.04 3.41 -0.21 -4.92 113.62 105.93 3kxp n SER 229 Ca 0.13 -3.68 -0.42 0.00 -0.26 0.00 0.00 58.87 54.64 3kxp n SER 229 Cb 0.45 -0.71 -0.02 0.00 -0.26 0.00 0.00 64.21 63.68 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 -1.07 3.84 -0.55 4.04 2.88 -0.78 -4.51 113.62 117.46 3kxp n SER 230 Ca 0.42 1.14 0.13 0.00 -1.33 0.00 0.00 58.87 59.24 3kxp n SER 230 Cb 1.26 -1.59 0.34 0.00 -0.75 0.00 0.00 64.21 63.47 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 2.20 1.62 -0.12 -1.46 5.02 -1.26 -4.29 118.16 119.86 3kxp n LYS 231 Ca 0.09 -1.11 -0.21 0.00 -2.02 0.00 0.00 58.31 55.05 3kxp n LYS 231 Cb 0.37 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 33.83 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 1.94 -4.43 -0.35 0.00 -1.26 -4.76 117.00 108.42 3kxp n LEU 232 Ca 0.15 0.35 -0.42 0.00 0.00 0.00 0.00 56.01 56.09 3kxp n LEU 232 Cb 0.43 -0.80 -0.11 0.00 0.00 0.00 0.00 43.42 42.94 3kxp n LEU 232 CO 0.19 0.23 -0.11 -0.69 0.00 0.00 0.00 177.39 177.01 3kxp s VAL 233 N -2.64 4.96 0.67 1.96 1.01 -1.26 -4.67 120.40 120.43 3kxp s VAL 233 Ca -0.34 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 60.81 3kxp s VAL 233 Cb 0.10 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 3kxp s VAL 233 CO 0.46 -0.26 1.06 -0.94 0.00 0.00 0.00 175.10 175.43 3kxp s SER 234 N 1.63 5.76 0.32 3.32 1.04 -1.26 -4.54 113.70 119.97 3kxp s SER 234 Ca 0.04 1.33 0.02 0.00 0.48 0.00 0.00 55.95 57.82 3kxp s SER 234 Cb -0.19 -2.26 0.55 0.00 0.10 0.00 0.00 66.02 64.23 3kxp s SER 234 CO 0.09 -1.16 1.92 0.00 0.98 0.00 0.00 173.24 175.06 3kxp h ALA 235 N -0.53 1.40 -0.56 5.32 0.00 -1.91 -1.90 119.26 121.08 3kxp h ALA 235 Ca -0.44 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.24 3kxp h ALA 235 Cb 1.22 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3kxp h ALA 235 CO 0.62 0.46 0.01 0.00 0.00 0.00 0.00 179.25 180.34 3kxp h ALA 236 N 1.49 0.76 -0.46 0.00 0.00 -1.99 -2.01 119.26 117.05 3kxp h ALA 236 Ca 0.18 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3kxp h ALA 236 Cb 0.13 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3kxp h ALA 236 CO -0.02 0.58 0.28 0.00 0.00 0.00 0.00 179.25 180.10 3kxp h ALA 237 N 0.97 0.58 -0.58 0.00 0.00 -1.69 -1.58 119.26 116.97 3kxp h ALA 237 Ca 0.16 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3kxp h ALA 237 Cb 0.54 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3kxp h ALA 237 CO 0.03 0.07 0.15 1.25 0.00 0.00 0.00 179.25 180.75 3kxp h LEU 238 N 0.61 0.82 -0.66 0.00 5.85 -1.25 -1.52 115.31 119.17 3kxp h LEU 238 Ca 0.16 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3kxp h LEU 238 Cb -0.01 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 3kxp h LEU 238 CO -0.03 0.80 0.38 0.00 -0.34 0.00 0.00 178.44 179.25 3kxp h ALA 239 N 1.31 0.84 -0.15 1.25 0.00 -0.76 0.42 119.26 122.17 3kxp h ALA 239 Ca 0.19 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3kxp h ALA 239 Cb 0.29 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3kxp h ALA 239 CO -0.00 0.34 -0.45 0.87 0.00 0.00 0.00 179.25 180.01 3kxp h LYS 240 N 0.90 0.36 -0.22 0.00 1.57 -1.03 -2.18 116.57 115.97 3kxp h LYS 240 Ca 0.24 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3kxp h LYS 240 Cb 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3kxp h LYS 240 CO -0.04 0.74 0.07 1.15 -0.57 0.00 0.00 179.45 180.80 3kxp h THR 241 N 0.30 1.18 -0.27 -0.16 2.02 -0.69 -1.95 112.91 113.34 3kxp h THR 241 Ca 0.02 -0.57 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 3kxp h THR 241 Cb 0.91 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 3kxp h THR 241 CO 0.08 0.18 0.13 0.28 0.37 0.00 0.00 175.52 176.56 3kxp h SER 242 N 0.19 0.33 1.32 4.18 0.02 -0.73 0.89 113.55 119.74 3kxp h SER 242 Ca 0.07 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 3kxp h SER 242 Cb 0.22 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3kxp h SER 242 CO -0.00 0.28 -0.29 0.03 -1.14 0.00 0.00 176.83 175.71 3kxp h ARG 243 N 0.37 0.00 -0.00 3.45 3.08 -1.14 0.17 114.38 120.31 3kxp h ARG 243 Ca 0.10 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.00 3kxp h ARG 243 Cb 0.04 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.10 3kxp h ARG 243 CO -0.01 0.29 -0.56 1.25 -1.07 0.00 0.00 179.97 179.86 3kxp h LEU 244 N 0.00 0.50 -6.65 3.04 5.85 -0.41 -3.39 115.31 114.25 3kxp h LEU 244 Ca -0.00 -0.76 -0.60 0.00 0.84 0.00 0.00 57.88 57.36 3kxp h LEU 244 Cb 1.03 -0.15 -0.39 0.00 0.37 0.00 0.00 40.66 41.51 3kxp h LEU 244 CO 0.04 1.20 -0.83 -0.13 -0.34 0.00 0.00 178.44 178.37 3kxp s ARG 245 N -3.21 1.35 0.54 1.25 1.81 0.17 -4.97 118.95 115.89 3kxp s ARG 245 Ca -0.13 -2.38 0.32 0.00 -1.72 0.00 0.00 55.73 51.82 3kxp s ARG 245 Cb 0.03 -2.07 1.36 0.00 -0.45 0.00 0.00 34.95 33.83 3kxp s ARG 245 CO 0.81 -1.32 1.99 -1.00 -0.68 0.00 0.00 175.30 175.10 3kxp h PRO 246 N 5.80 0.00 0.00 3.54 0.13 -0.87 -3.04 132.00 137.56 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 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3kxp h PRO 246 CO 0.47 0.05 0.00 0.38 -0.23 0.00 0.00 178.00 178.67 3kxp h ASP 247 N 0.00 0.00 -3.15 1.44 -0.00 -1.93 -3.45 116.42 109.33 3kxp h ASP 247 Ca -0.00 0.00 -0.55 0.00 -0.00 0.00 0.00 57.03 56.48 3kxp h ASP 247 Cb 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.82 3kxp h ASP 247 CO 0.01 0.00 0.64 -0.76 -0.00 0.00 0.00 179.24 179.12 3kxp s LEU 248 N -6.12 4.29 0.44 0.15 1.43 -1.15 -5.00 118.68 112.71 3kxp s LEU 248 Ca 0.05 1.77 -0.25 0.00 -1.03 0.00 0.00 54.13 54.66 3kxp s LEU 248 Cb 0.07 -3.56 -0.08 0.00 0.03 0.00 0.00 46.19 42.65 3kxp s LEU 248 CO 0.61 -0.52 1.39 -2.16 0.23 0.00 0.00 176.35 175.90 3kxp s PRO 249 N 1.97 3.76 -0.00 1.29 0.04 -1.25 -4.87 135.00 135.94 3kxp s PRO 249 Ca 0.54 2.34 0.06 0.00 0.04 0.00 0.00 61.00 63.99 3kxp s PRO 249 Cb -0.24 -2.68 -0.02 0.00 0.04 0.00 0.00 34.50 31.60 3kxp s PRO 249 CO 0.22 -0.73 -0.19 0.08 0.04 0.00 0.00 177.00 176.43 3kxp s VAL 250 N -1.22 1.47 -0.10 -0.36 1.01 -1.26 -1.52 120.40 118.42 3kxp s VAL 250 Ca 0.60 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 3kxp s VAL 250 Cb -0.42 -1.24 0.03 0.00 0.00 0.00 0.00 36.38 34.74 3kxp s VAL 250 CO 0.54 0.35 -0.05 -0.69 0.00 0.00 0.00 175.10 175.25 3kxp s VAL 251 N -0.52 0.82 -0.31 2.92 1.01 0.01 -4.98 120.40 119.35 3kxp s VAL 251 Ca 0.07 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 61.84 3kxp s VAL 251 Cb -0.07 -0.88 0.03 0.00 0.00 0.00 0.00 36.38 35.46 3kxp s VAL 251 CO -0.00 0.33 0.05 -0.69 0.00 0.00 0.00 175.10 174.80 3kxp s VAL 252 N 1.79 3.53 -0.41 2.92 1.01 -1.26 -1.28 120.40 126.69 3kxp s VAL 252 Ca 0.05 -1.08 -0.25 0.00 0.00 0.00 0.00 61.98 60.70 3kxp s VAL 252 Cb -0.12 -2.94 0.02 0.00 0.00 0.00 0.00 36.38 33.34 3kxp s VAL 252 CO -0.07 -0.06 0.90 -0.69 0.00 0.00 0.00 175.10 175.18 3kxp s VAL 253 N 1.38 4.56 0.31 2.92 1.01 -0.10 -4.86 120.40 125.62 3kxp s VAL 253 Ca -0.01 0.91 -0.29 0.00 0.00 0.00 0.00 61.98 62.59 3kxp s VAL 253 Cb -0.19 -4.36 -0.11 0.00 0.00 0.00 0.00 36.38 31.73 3kxp s VAL 253 CO 0.01 -0.66 1.46 -2.84 0.00 0.00 0.00 175.10 173.07 3kxp s PRO 254 N 3.53 4.21 0.00 2.72 0.02 -1.26 -1.64 135.00 142.58 3kxp s PRO 254 Ca 0.36 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.80 3kxp s PRO 254 Cb -0.11 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.36 3kxp s PRO 254 CO 0.22 -0.45 0.00 0.41 -0.33 0.00 0.00 177.00 176.85 3kxp n GLY 255 N 1.44 1.84 3.81 0.52 0.00 -1.26 -4.92 105.19 106.62 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 -3.42 3.67 0.00 4.61 0.00 -1.04 -4.95 121.76 120.62 3kxp s ALA 256 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.26 3kxp s ALA 256 Cb 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.32 3kxp s ALA 256 CO 0.00 0.60 0.00 -0.40 0.00 0.00 0.00 175.76 175.96 3kxp n ASP 257 N 2.06 0.00 -0.06 0.00 3.85 -1.26 -0.56 116.55 120.57 3kxp n ASP 257 Ca -0.19 0.00 0.03 0.00 -0.71 0.00 0.00 54.79 53.92 3kxp n ASP 257 Cb 0.54 0.00 0.37 0.00 -1.35 0.00 0.00 41.12 40.69 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 0.64 -1.14 2.11 -0.00 -1.88 -3.26 115.15 111.62 3kxp h HIS 258 Ca 0.00 0.02 -0.74 0.00 -0.00 0.00 0.00 60.37 59.64 3kxp h HIS 258 Cb 0.00 -0.22 -0.12 0.00 -0.00 0.00 0.00 27.41 27.07 3kxp h HIS 258 CO 0.00 0.40 2.43 0.66 -0.00 0.00 0.00 177.93 181.42 3kxp n TYR 259 N -4.46 2.62 -0.01 5.26 4.01 -1.26 -4.82 117.16 118.50 3kxp n TYR 259 Ca 0.05 -2.83 -0.10 0.00 -0.16 0.00 0.00 57.90 54.86 3kxp n TYR 259 Cb 0.05 -1.87 -0.03 0.00 -0.31 0.00 0.00 39.34 37.19 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 2.72 0.35 -0.33 -0.72 2.07 -1.93 -1.15 116.25 117.27 3kxp h VAL 260 Ca 0.68 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 68.15 3kxp h VAL 260 Cb 0.33 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3kxp h VAL 260 CO 1.50 0.00 -0.01 -0.55 0.02 0.00 0.00 177.57 178.54 3kxp h ASN 261 N -0.33 0.47 1.00 0.57 -0.00 -1.87 -0.86 115.58 114.56 3kxp h ASN 261 Ca 0.11 -0.09 -0.21 0.00 -0.00 0.00 0.00 56.30 56.11 3kxp h ASN 261 Cb 0.50 -0.12 -0.03 0.00 -0.00 0.00 0.00 38.32 38.66 3kxp h ASN 261 CO -0.35 0.55 -1.00 -0.33 -0.00 0.00 0.00 177.43 176.30 3kxp h GLU 262 N 0.49 0.00 0.10 4.14 5.08 -1.88 -3.17 114.58 119.33 3kxp h GLU 262 Ca 0.10 -0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.15 3kxp h GLU 262 Cb 0.33 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3kxp h GLU 262 CO 0.01 1.00 -1.65 0.28 -1.00 0.00 0.00 179.01 177.64 3kxp h VAL 263 N 0.00 1.00 -2.10 3.13 2.07 -1.07 -3.41 116.25 115.87 3kxp h VAL 263 Ca -0.01 -2.69 -0.58 0.00 0.82 0.00 0.00 66.70 64.24 3kxp h VAL 263 Cb 1.77 2.66 -0.41 0.00 -1.52 0.00 0.00 31.29 33.79 3kxp h VAL 263 CO 0.13 0.78 -0.84 -1.20 0.02 0.00 0.00 177.57 176.47 3kxp n SER 264 N -3.40 2.08 -0.35 0.57 7.64 -0.34 -4.95 113.62 114.87 3kxp n SER 264 Ca -0.20 -3.09 -0.03 0.00 1.01 0.00 0.00 58.87 56.56 3kxp n SER 264 Cb 1.05 -0.65 0.10 0.00 -1.01 0.00 0.00 64.21 63.69 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 4.07 1.28 -0.11 1.43 0.13 -1.73 -2.29 132.00 134.77 3kxp h PRO 265 Ca 0.14 -0.12 -0.02 0.00 -0.87 0.00 0.00 66.00 65.14 3kxp h PRO 265 Cb 0.76 -0.27 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 3kxp h PRO 265 CO 0.66 0.89 0.01 0.93 -0.23 0.00 0.00 178.00 180.26 3kxp h GLU 266 N 1.29 0.19 -0.52 0.86 4.39 -1.93 -0.55 114.58 118.32 3kxp h GLU 266 Ca 0.34 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.90 3kxp h GLU 266 Cb -0.06 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 3kxp h GLU 266 CO -0.06 0.41 0.00 0.82 -1.16 0.00 0.00 179.01 179.02 3kxp h ILE 267 N -0.05 1.25 -0.22 3.13 2.04 -1.97 -1.08 117.51 120.61 3kxp h ILE 267 Ca 0.03 -1.04 -0.01 0.00 1.00 0.00 0.00 64.86 64.84 3kxp h ILE 267 Cb 0.31 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3kxp h ILE 267 CO 0.00 0.37 0.11 0.74 0.00 0.00 0.00 178.15 179.37 3kxp h THR 268 N 0.81 1.14 -0.04 -0.27 2.02 -1.29 0.14 112.91 115.41 3kxp h THR 268 Ca 0.15 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 3kxp h THR 268 Cb 0.48 1.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 3kxp h THR 268 CO 0.02 0.14 0.02 0.25 0.37 0.00 0.00 175.52 176.32 3kxp h LEU 269 N 0.23 0.05 -1.60 2.58 5.85 -0.89 -1.37 115.31 120.16 3kxp h LEU 269 Ca 0.08 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3kxp h LEU 269 Cb 0.12 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3kxp h LEU 269 CO -0.01 0.12 -0.06 0.50 -0.34 0.00 0.00 178.44 178.65 3kxp h LYS 270 N -0.02 0.18 -0.08 1.25 3.11 -1.04 -0.89 116.57 119.08 3kxp h LYS 270 Ca 0.02 -0.03 -0.13 0.00 -2.81 0.00 0.00 60.65 57.69 3kxp h LYS 270 Cb 0.08 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.27 3kxp h LYS 270 CO -0.00 0.26 -0.54 0.00 -2.81 0.00 0.00 179.45 176.36 3kxp h ALA 271 N 1.77 0.94 -0.12 5.00 0.00 -0.42 -0.05 119.26 126.37 3kxp h ALA 271 Ca 0.04 -0.50 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 3kxp h ALA 271 Cb 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3kxp h ALA 271 CO 0.01 0.68 -0.39 0.82 0.00 0.00 0.00 179.25 180.37 3kxp h ILE 272 N 0.19 1.37 -0.22 0.00 2.04 -0.27 -2.43 117.51 118.19 3kxp h ILE 272 Ca 0.00 -1.70 -0.13 0.00 1.00 0.00 0.00 64.86 64.03 3kxp h ILE 272 Cb 1.00 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 39.19 3kxp h ILE 272 CO 0.08 0.51 -0.42 0.71 0.00 0.00 0.00 178.15 179.03 3kxp h THR 273 N 0.08 1.30 -0.93 -0.27 1.35 -1.13 -1.47 112.91 111.84 3kxp h THR 273 Ca -0.01 -1.59 0.05 0.00 -0.55 0.00 0.00 66.41 64.31 3kxp h THR 273 Cb 1.02 1.59 -0.06 0.00 -1.73 0.00 0.00 68.15 68.97 3kxp h THR 273 CO 0.08 0.50 0.61 0.78 -0.25 0.00 0.00 175.52 177.24 3kxp h ASN 274 N 0.42 0.97 0.22 5.36 2.35 -0.98 -1.56 115.58 122.37 3kxp h ASN 274 Ca 0.03 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 3kxp h ASN 274 Cb 0.91 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.07 3kxp h ASN 274 CO 0.08 0.65 -0.11 0.15 -1.65 0.00 0.00 177.43 176.55 3kxp h PHE 275 N 1.12 -0.28 0.00 1.19 -0.00 -0.92 -3.30 116.94 114.76 3kxp h PHE 275 Ca 0.39 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.97 58.34 3kxp h PHE 275 Cb 0.11 0.09 -0.00 0.00 -0.00 0.00 0.00 35.95 36.15 3kxp h PHE 275 CO -0.00 -0.17 -0.06 -0.84 -0.00 0.00 0.00 178.31 177.24 3kxp h ILE 276 N -0.55 0.17 -0.02 1.41 3.07 -1.33 -3.20 117.51 117.07 3kxp h ILE 276 Ca -0.03 -0.64 0.00 0.00 1.55 0.00 0.00 64.86 65.74 3kxp h ILE 276 Cb 0.23 1.54 0.00 0.00 -0.27 0.00 0.00 36.82 38.32 3kxp h ILE 276 CO 0.05 0.06 -0.10 0.47 -1.05 0.00 0.00 178.15 177.58 3kxp n ASP 277 N -3.20 1.84 0.00 2.16 8.00 -0.59 -5.09 116.55 119.67 3kxp n ASP 277 Ca 0.00 -1.51 0.05 0.00 0.71 0.00 0.00 54.79 54.04 3kxp n ASP 277 Cb 0.32 0.08 0.29 0.00 -0.02 0.00 0.00 41.12 41.79 3kxp n ASP 277 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81