#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 3.27 -0.28 4.41 0.40 -1.26 -4.80 117.98 119.72 3kxp s PHE 12 Ca 0.00 0.25 -0.08 0.00 -0.60 0.00 0.00 56.93 56.50 3kxp s PHE 12 Cb 0.00 -1.86 -0.02 0.00 0.51 0.00 0.00 43.02 41.66 3kxp s PHE 12 CO 0.00 0.49 0.11 0.96 0.70 0.00 0.00 175.22 177.48 3kxp s ILE 13 N -0.77 4.41 0.55 0.64 -4.36 -0.48 -4.88 121.20 116.31 3kxp s ILE 13 Ca 0.12 -0.33 -0.02 0.00 -0.26 0.00 0.00 60.65 60.16 3kxp s ILE 13 Cb -0.12 -3.17 0.02 0.00 1.25 0.00 0.00 42.46 40.44 3kxp s ILE 13 CO 0.03 0.19 0.80 -0.44 0.24 0.00 0.00 174.94 175.76 3kxp s SER 14 N 1.60 5.47 0.00 4.36 0.01 -1.26 -1.18 113.70 122.71 3kxp s SER 14 Ca 0.05 0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.62 3kxp s SER 14 Cb -0.16 -1.31 0.00 0.00 0.21 0.00 0.00 66.02 64.76 3kxp s SER 14 CO 0.05 -1.04 0.00 -2.11 0.41 0.00 0.00 173.24 170.55 3kxp n ARG 15 N -2.39 0.00 -2.62 12.44 1.85 -0.75 -4.97 116.66 120.22 3kxp n ARG 15 Ca 0.05 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.49 3kxp n ARG 15 Cb 0.59 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.95 3kxp n ARG 15 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3kxp s ARG 16 N -0.97 4.67 -0.12 2.89 0.52 -1.26 -1.78 118.95 122.90 3kxp s ARG 16 Ca 0.00 1.59 0.03 0.00 -0.52 0.00 0.00 55.73 56.84 3kxp s ARG 16 Cb 0.00 -3.31 0.00 0.00 0.52 0.00 0.00 34.95 32.16 3kxp s ARG 16 CO 0.00 0.19 -0.23 0.08 0.02 0.00 0.00 175.30 175.36 3kxp s VAL 17 N -0.31 2.09 -0.31 3.52 1.01 0.11 -4.91 120.40 121.59 3kxp s VAL 17 Ca 0.47 -0.99 -0.19 0.00 0.00 0.00 0.00 61.98 61.27 3kxp s VAL 17 Cb -0.27 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 3kxp s VAL 17 CO 0.33 0.55 0.57 -0.62 0.00 0.00 0.00 175.10 175.93 3kxp s ASP 18 N 0.54 6.42 -0.09 3.32 3.68 -1.26 -0.17 116.67 129.10 3kxp s ASP 18 Ca -0.14 0.28 0.15 0.00 2.13 0.00 0.00 52.55 54.98 3kxp s ASP 18 Cb -0.17 -2.30 0.51 0.00 -1.45 0.00 0.00 42.92 39.51 3kxp s ASP 18 CO 0.04 -0.45 1.43 2.30 0.13 0.00 0.00 175.17 178.63 3kxp n ILE 19 N 5.37 1.62 0.00 4.11 -5.35 -0.25 -5.00 119.36 119.86 3kxp n ILE 19 Ca -0.03 -1.31 0.00 0.00 -0.27 0.00 0.00 62.75 61.14 3kxp n ILE 19 Cb 0.49 0.17 0.00 0.00 -1.74 0.00 0.00 39.64 38.56 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 0.45 1.92 0.20 3.28 0.00 -1.26 -4.61 105.19 105.18 3kxp n GLY 20 Ca 0.19 -0.53 0.15 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.29 1.61 0.11 -1.99 -3.46 114.38 109.36 3kxp h ARG 21 Ca 0.00 0.00 0.35 0.00 0.10 0.00 0.00 59.98 60.43 3kxp h ARG 21 Cb 0.00 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 30.95 3kxp h ARG 21 CO 0.00 0.00 0.89 -1.50 0.10 0.00 0.00 179.97 179.46 3kxp s ILE 22 N -3.58 0.00 -0.15 0.08 2.07 -1.26 -5.15 121.20 113.21 3kxp s ILE 22 Ca 0.00 -0.14 -0.01 0.00 -1.41 0.00 0.00 60.65 59.10 3kxp s ILE 22 Cb 0.09 -1.93 -0.01 0.00 0.13 0.00 0.00 42.46 40.73 3kxp s ILE 22 CO 0.38 0.00 -0.11 -0.89 -1.91 0.00 0.00 174.94 172.41 3kxp s THR 23 N -2.28 3.13 -0.02 4.00 2.01 -1.26 -1.09 115.64 120.13 3kxp s THR 23 Ca 0.14 -0.62 0.05 0.00 0.31 0.00 0.00 61.69 61.57 3kxp s THR 23 Cb 0.05 -2.34 -0.01 0.00 0.01 0.00 0.00 72.50 70.21 3kxp s THR 23 CO -0.05 0.51 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.45 3kxp s LEU 24 N 0.55 2.02 0.35 4.42 1.43 0.75 -1.39 118.68 126.80 3kxp s LEU 24 Ca -0.07 -0.34 -0.26 0.00 -1.03 0.00 0.00 54.13 52.43 3kxp s LEU 24 Cb -0.15 -0.96 -0.09 0.00 0.03 0.00 0.00 46.19 45.02 3kxp s LEU 24 CO 0.03 0.21 1.00 0.21 0.23 0.00 0.00 176.35 178.04 3kxp s ASN 25 N -0.35 7.11 -0.04 2.29 2.47 -1.26 0.07 114.94 125.23 3kxp s ASN 25 Ca 0.05 1.96 -0.04 0.00 0.42 0.00 0.00 52.86 55.26 3kxp s ASN 25 Cb -0.08 -2.59 0.01 0.00 -1.45 0.00 0.00 41.25 37.15 3kxp s ASN 25 CO -0.00 -0.24 0.11 -0.69 -3.72 0.00 0.00 177.10 172.56 3kxp s VAL 26 N -1.58 0.00 -0.18 -5.21 1.01 -0.73 -1.56 120.40 112.15 3kxp s VAL 26 Ca 0.52 -0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.44 3kxp s VAL 26 Cb -0.21 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.97 3kxp s VAL 26 CO 0.27 -0.00 0.01 -0.13 0.00 0.00 0.00 175.10 175.25 3kxp s ARG 27 N 0.05 3.72 0.16 2.72 0.52 -0.17 -1.82 118.95 124.13 3kxp s ARG 27 Ca -0.00 -0.48 0.07 0.00 -0.52 0.00 0.00 55.73 54.81 3kxp s ARG 27 Cb -0.01 -3.07 -0.04 0.00 0.52 0.00 0.00 34.95 32.35 3kxp s ARG 27 CO 0.00 0.14 -0.16 -2.00 0.02 0.00 0.00 175.30 173.30 3kxp s GLU 28 N 0.68 1.20 -0.26 3.54 2.12 -0.32 -1.36 118.70 124.30 3kxp s GLU 28 Ca 0.00 -1.39 -0.31 0.00 0.36 0.00 0.00 54.97 53.63 3kxp s GLU 28 Cb -0.14 -1.13 0.17 0.00 0.26 0.00 0.00 34.13 33.29 3kxp s GLU 28 CO 0.02 0.22 1.29 0.21 -0.54 0.00 0.00 175.26 176.46 3kxp s LYS 29 N -2.94 0.16 0.36 4.30 2.20 -1.02 -1.39 119.74 121.40 3kxp s LYS 29 Ca 0.15 0.01 0.00 0.00 -0.36 0.00 0.00 55.97 55.77 3kxp s LYS 29 Cb -0.04 0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.35 3kxp s LYS 29 CO 0.05 -0.06 0.00 0.41 -0.36 0.00 0.00 175.35 175.40 3kxp n GLY 30 N 0.41 -2.43 3.30 5.54 0.00 -1.26 -1.51 105.19 109.22 3kxp n GLY 30 Ca -0.01 -1.68 -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 -2.76 -0.07 0.00 1.61 1.04 -1.13 -4.67 113.70 107.73 3kxp s SER 31 Ca 0.00 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.89 3kxp s SER 31 Cb 0.00 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.55 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 -0.18 -0.73 3.47 7.32 0.00 -1.26 -2.17 105.19 111.65 3kxp n GLY 32 Ca -0.14 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.30 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 0.66 -1.85 1.61 -0.02 -1.25 -3.39 135.00 130.76 3kxp n PRO 33 Ca 0.00 0.24 -0.30 0.00 -2.02 0.00 0.00 63.50 61.42 3kxp n PRO 33 Cb 0.00 -1.55 0.21 0.00 -0.02 0.00 0.00 33.50 32.14 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 1.53 2.53 -0.17 2.45 2.96 -1.26 -0.39 118.68 126.32 3kxp s LEU 34 Ca 0.63 0.18 -0.28 0.00 -0.22 0.00 0.00 54.13 54.44 3kxp s LEU 34 Cb -0.62 -2.08 0.10 0.00 0.50 0.00 0.00 46.19 44.08 3kxp s LEU 34 CO 0.58 -3.08 0.86 -0.76 -1.32 0.00 0.00 176.35 172.63 3kxp s LEU 36 N -6.08 -0.55 -0.07 -0.68 1.43 0.00 -1.80 118.68 110.93 3kxp s LEU 36 Ca 0.76 0.80 0.04 0.00 -1.03 0.00 0.00 54.13 54.70 3kxp s LEU 36 Cb -0.03 2.19 0.00 0.00 0.03 0.00 0.00 46.19 48.38 3kxp s LEU 36 CO 0.54 -0.36 -0.19 -0.36 0.23 0.00 0.00 176.35 176.21 3kxp s PHE 37 N -0.56 2.00 -0.13 0.29 0.40 0.25 -0.15 117.98 120.09 3kxp s PHE 37 Ca -0.03 -0.74 0.01 0.00 -0.60 0.00 0.00 56.93 55.57 3kxp s PHE 37 Cb -0.02 -1.37 0.02 0.00 0.51 0.00 0.00 43.02 42.15 3kxp s PHE 37 CO 0.02 -0.31 -0.16 -0.06 0.70 0.00 0.00 175.22 175.41 3kxp s PHE 38 N 0.36 2.17 1.25 0.36 0.40 0.20 -1.47 117.98 121.25 3kxp s PHE 38 Ca -0.13 -1.10 -0.20 0.00 -0.60 0.00 0.00 56.93 54.89 3kxp s PHE 38 Cb -0.16 -1.55 0.30 0.00 0.51 0.00 0.00 43.02 42.12 3kxp s PHE 38 CO 0.05 -0.56 1.08 -3.38 0.70 0.00 0.00 175.22 173.12 3kxp s HIS 39 N 1.09 0.22 0.65 0.36 -3.43 -1.26 -1.54 115.29 111.37 3kxp s HIS 39 Ca -0.03 0.48 0.03 0.00 -0.80 0.00 0.00 55.06 54.74 3kxp s HIS 39 Cb -0.14 -3.38 0.12 0.00 -1.43 0.00 0.00 32.58 27.75 3kxp s HIS 39 CO -0.04 -4.11 0.89 0.41 -2.00 0.00 0.00 174.74 169.89 3kxp n GLY 40 N -0.60 1.14 3.75 -1.38 0.00 -1.21 -1.47 105.19 105.42 3kxp n GLY 40 Ca 0.14 -2.10 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 3kxp n GLY 40 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kxp s ILE 41 N -2.77 2.38 0.00 -0.61 2.07 -1.26 -2.17 121.20 118.84 3kxp s ILE 41 Ca 0.62 0.32 0.00 0.00 -1.41 0.00 0.00 60.65 60.18 3kxp s ILE 41 Cb -0.04 -3.20 0.00 0.00 0.13 0.00 0.00 42.46 39.35 3kxp s ILE 41 CO 0.40 0.05 0.00 0.35 -1.91 0.00 0.00 174.94 173.84 3kxp n THR 42 N 2.12 0.00 -1.20 4.00 -2.24 -1.26 -4.98 114.28 110.71 3kxp n THR 42 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3kxp n THR 42 Cb 0.39 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 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 -3.62 3.42 2.88 -0.92 -4.89 113.62 110.48 3kxp n SER 43 Ca 0.00 -0.24 -0.07 0.00 -1.33 0.00 0.00 58.87 57.23 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 -0.30 0.56 -3.46 2.20 -1.26 -4.43 114.94 107.24 3kxp s ASN 44 Ca 0.00 -0.21 0.36 0.00 -0.94 0.00 0.00 52.86 52.07 3kxp s ASN 44 Cb 0.00 0.48 1.51 0.00 -2.00 0.00 0.00 41.25 41.23 3kxp s ASN 44 CO 0.00 -0.83 1.74 0.77 -2.94 0.00 0.00 177.10 175.84 3kxp h SER 45 N 2.00 0.00 -0.39 3.54 4.64 -1.91 -2.90 113.55 118.54 3kxp h SER 45 Ca -0.24 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.12 3kxp h SER 45 Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 3kxp h SER 45 CO 0.29 0.00 0.26 0.00 -0.87 0.00 0.00 176.83 176.51 3kxp h ALA 46 N 1.28 1.93 -0.37 5.18 0.00 -1.94 -2.50 119.26 122.85 3kxp h ALA 46 Ca 0.56 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.56 3kxp h ALA 46 Cb 2.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 20.06 3kxp h ALA 46 CO -0.01 0.01 0.34 -0.39 0.00 0.00 0.00 179.25 179.20 3kxp h VAL 47 N 0.34 0.52 -0.00 0.00 -1.51 -1.84 -2.16 116.25 111.59 3kxp h VAL 47 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.63 3kxp h VAL 47 Cb 0.22 0.74 0.00 0.00 -2.13 0.00 0.00 31.29 30.12 3kxp h VAL 47 CO -0.04 0.00 -0.16 0.49 -1.23 0.00 0.00 177.57 176.63 3kxp n PHE 48 N -3.95 0.00 -0.12 5.19 3.01 -0.94 -4.37 117.46 116.29 3kxp n PHE 48 Ca 0.06 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.47 3kxp n PHE 48 Cb 0.51 -0.22 0.03 0.00 -0.01 0.00 0.00 39.48 39.79 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 0.49 0.21 -0.95 -1.08 5.08 -1.56 -2.38 114.58 114.38 3kxp h GLU 49 Ca 0.00 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.44 3kxp h GLU 49 Cb 0.41 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.54 3kxp h GLU 49 CO 0.00 0.14 0.59 -1.35 -1.00 0.00 0.00 179.01 177.39 3kxp h PRO 50 N 0.22 0.97 -0.84 2.33 0.11 -1.82 -1.73 132.00 131.23 3kxp h PRO 50 Ca 0.19 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3kxp h PRO 50 Cb 0.21 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.10 3kxp h PRO 50 CO -0.24 0.64 0.00 -0.11 -0.21 0.00 0.00 178.00 178.08 3kxp n LEU 51 N -4.62 0.87 0.00 2.35 7.94 -0.90 -3.93 117.00 118.72 3kxp n LEU 51 Ca 0.16 -0.44 0.00 0.00 -1.11 0.00 0.00 56.01 54.63 3kxp n LEU 51 Cb 0.28 -0.26 0.00 0.00 0.53 0.00 0.00 43.42 43.97 3kxp n LEU 51 CO 0.29 0.17 0.00 -0.38 -1.11 0.00 0.00 177.39 176.36 3kxp n ILE 53 N 0.41 0.00 0.28 1.96 5.41 -0.65 -3.46 119.36 123.31 3kxp n ILE 53 Ca 0.00 0.00 0.17 0.00 1.00 0.00 0.00 62.75 63.92 3kxp n ILE 53 Cb 0.17 0.00 0.63 0.00 -0.71 0.00 0.00 39.64 39.74 3kxp n ILE 53 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 3kxp h ARG 54 N 0.00 0.00 0.00 0.38 9.65 -1.83 -3.22 114.38 119.35 3kxp h ARG 54 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3kxp h ARG 54 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 3kxp h ARG 54 CO 0.00 0.00 -0.80 1.28 2.80 0.00 0.00 179.97 183.25 3kxp n LEU 55 N -3.04 0.19 -0.36 3.80 4.77 -1.23 -4.73 117.00 116.40 3kxp n LEU 55 Ca 0.01 -0.27 0.30 0.00 -0.03 0.00 0.00 56.01 56.02 3kxp n LEU 55 Cb 0.32 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 42.03 3kxp n LEU 55 CO 0.27 0.05 1.26 0.28 -1.33 0.00 0.00 177.39 177.92 3kxp h SER 56 N 0.00 0.26 0.58 -1.43 0.02 -1.74 -1.02 113.55 110.23 3kxp h SER 56 Ca 0.00 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3kxp h SER 56 Cb 0.25 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 3kxp h SER 56 CO 0.00 0.00 -0.03 -2.24 -1.14 0.00 0.00 176.83 173.42 3kxp h ASP 57 N 0.20 0.00 0.00 3.07 3.04 -1.85 -3.03 116.42 117.85 3kxp h ASP 57 Ca 0.65 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.44 3kxp h ASP 57 Cb 2.04 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.33 3kxp h ASP 57 CO -0.23 0.03 -0.92 0.54 -2.04 0.00 0.00 179.24 176.61 3kxp n ARG 58 N -3.18 1.16 -4.30 4.15 1.74 -0.48 -4.82 116.66 110.92 3kxp n ARG 58 Ca -0.01 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.89 3kxp n ARG 58 Cb 0.22 -0.96 -0.10 0.00 -1.02 0.00 0.00 32.46 30.60 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 -1.87 1.59 -0.81 -1.55 0.40 -0.63 -3.90 117.98 111.21 3kxp s PHE 59 Ca 0.00 -0.58 -0.20 0.00 -0.60 0.00 0.00 56.93 55.55 3kxp s PHE 59 Cb 0.00 -0.77 0.10 0.00 0.51 0.00 0.00 43.02 42.86 3kxp s PHE 59 CO 0.00 0.26 1.06 0.99 0.70 0.00 0.00 175.22 178.23 3kxp s THR 60 N -2.68 4.53 -0.06 0.64 2.01 0.47 -2.83 115.64 117.73 3kxp s THR 60 Ca 0.17 -1.02 -0.28 0.00 0.31 0.00 0.00 61.69 60.87 3kxp s THR 60 Cb -0.02 -4.74 -0.03 0.00 0.01 0.00 0.00 72.50 67.72 3kxp s THR 60 CO 0.05 -1.49 0.92 0.42 -0.69 0.00 0.00 174.62 173.83 3kxp s THR 61 N 3.35 4.88 -0.06 -0.82 -4.23 -0.57 -4.52 115.64 113.66 3kxp s THR 61 Ca 0.28 1.90 -0.01 0.00 -1.18 0.00 0.00 61.69 62.68 3kxp s THR 61 Cb -0.10 -4.25 0.03 0.00 1.34 0.00 0.00 72.50 69.52 3kxp s THR 61 CO -0.01 0.13 0.01 -0.63 -0.54 0.00 0.00 174.62 173.58 3kxp s ILE 62 N 1.33 0.29 -0.14 2.99 1.01 -1.26 -2.45 121.20 122.98 3kxp s ILE 62 Ca 0.47 0.17 -0.09 0.00 0.00 0.00 0.00 60.65 61.20 3kxp s ILE 62 Cb -0.19 -0.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 3kxp s ILE 62 CO 0.22 0.24 0.16 0.00 0.00 0.00 0.00 174.94 175.56 3kxp s ALA 63 N 1.96 3.80 -0.07 9.38 0.00 -0.46 -0.58 121.76 135.79 3kxp s ALA 63 Ca 0.04 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.40 3kxp s ALA 63 Cb -0.12 -2.08 -0.03 0.00 0.00 0.00 0.00 23.12 20.89 3kxp s ALA 63 CO -0.05 0.44 -0.11 0.08 0.00 0.00 0.00 175.76 176.13 3kxp s VAL 64 N -0.51 3.38 -0.33 0.00 1.01 -0.54 -1.00 120.40 122.40 3kxp s VAL 64 Ca 0.13 -0.60 -0.19 0.00 0.00 0.00 0.00 61.98 61.33 3kxp s VAL 64 Cb -0.12 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 3kxp s VAL 64 CO 0.03 0.59 0.56 -1.81 0.00 0.00 0.00 175.10 174.46 3kxp s ASP 65 N -0.68 6.38 0.47 3.32 -0.00 -0.60 -4.07 116.67 121.49 3kxp s ASP 65 Ca 0.10 0.15 -0.13 0.00 -0.00 0.00 0.00 52.55 52.67 3kxp s ASP 65 Cb -0.11 -2.29 -0.07 0.00 -0.00 0.00 0.00 42.92 40.45 3kxp s ASP 65 CO 0.01 -0.48 0.89 -1.10 -0.00 0.00 0.00 175.17 174.48 3kxp s GLN 66 N 2.49 3.84 0.16 8.23 -0.21 -1.26 -4.21 119.66 128.70 3kxp s GLN 66 Ca 0.21 0.70 -0.31 0.00 0.02 0.00 0.00 55.36 55.99 3kxp s GLN 66 Cb -0.15 -2.25 -0.18 0.00 1.00 0.00 0.00 33.01 31.43 3kxp s GLN 66 CO 0.13 -0.18 0.66 2.89 -2.12 0.00 0.00 175.29 176.67 3kxp n ARG 67 N -1.54 0.06 0.00 2.91 1.85 -1.26 -0.53 116.66 118.15 3kxp n ARG 67 Ca 0.04 0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.92 3kxp n ARG 67 Cb 0.54 -1.15 0.00 0.00 -1.05 0.00 0.00 32.46 30.80 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 1.88 3.12 3.77 2.89 0.00 -0.55 -5.01 105.19 111.28 3kxp n GLY 68 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.71 2.93 0.00 1.61 3.76 0.31 -1.34 115.29 120.86 3kxp s HIS 69 Ca 0.00 -0.19 0.00 0.00 -0.15 0.00 0.00 55.06 54.72 3kxp s HIS 69 Cb 0.00 -1.40 0.00 0.00 1.11 0.00 0.00 32.58 32.29 3kxp s HIS 69 CO 0.00 0.50 0.00 0.41 -0.85 0.00 0.00 174.74 174.80 3kxp n GLY 70 N -1.11 2.45 1.65 -2.22 0.00 -1.26 -1.99 105.19 102.70 3kxp n GLY 70 Ca -0.06 0.20 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 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 5.36 -5.00 0.99 4.77 -1.26 -4.67 117.00 117.19 3kxp n LEU 71 Ca 0.00 -3.40 -0.18 0.00 -0.03 0.00 0.00 56.01 52.40 3kxp n LEU 71 Cb 0.00 -0.70 0.01 0.00 -2.33 0.00 0.00 43.42 40.40 3kxp n LEU 71 CO 0.00 0.94 0.16 -0.44 -1.33 0.00 0.00 177.39 176.72 3kxp s SER 72 N -1.62 5.67 0.57 -1.43 0.01 -0.84 -4.00 113.70 112.06 3kxp s SER 72 Ca 0.51 -0.32 -0.20 0.00 1.31 0.00 0.00 55.95 57.24 3kxp s SER 72 Cb 0.42 -0.79 -0.04 0.00 0.21 0.00 0.00 66.02 65.82 3kxp s SER 72 CO 0.09 -0.75 1.29 -1.81 0.41 0.00 0.00 173.24 172.48 3kxp s ASP 73 N -4.33 5.17 -0.59 2.44 1.01 -0.49 -4.58 116.67 115.30 3kxp s ASP 73 Ca 0.53 2.61 0.06 0.00 0.71 0.00 0.00 52.55 56.47 3kxp s ASP 73 Cb -0.10 -2.62 0.21 0.00 1.01 0.00 0.00 42.92 41.42 3kxp s ASP 73 CO 0.33 -1.63 0.58 0.29 0.21 0.00 0.00 175.17 174.96 3kxp n LYS 74 N -1.31 1.73 -1.03 8.23 5.02 -1.26 -1.49 118.16 128.05 3kxp n LYS 74 Ca 0.12 -4.20 -0.33 0.00 -2.02 0.00 0.00 58.31 51.88 3kxp n LYS 74 Cb 0.47 -2.03 0.13 0.00 -0.02 0.00 0.00 35.03 33.59 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 1.53 0.07 -0.13 1.97 -0.04 -1.26 -4.92 135.00 132.23 3kxp n PRO 75 Ca 0.25 0.10 -0.04 0.00 -0.04 0.00 0.00 63.50 63.78 3kxp n PRO 75 Cb 0.42 -2.40 0.03 0.00 -0.04 0.00 0.00 33.50 31.52 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 -1.06 0.10 -4.14 0.54 4.57 -2.02 -3.46 114.58 109.11 3kxp h GLU 76 Ca -0.46 -0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 57.56 3kxp h GLU 76 Cb 1.30 -0.02 -0.12 0.00 -0.16 0.00 0.00 28.75 29.74 3kxp h GLU 76 CO 0.45 0.07 -0.38 -0.08 -1.18 0.00 0.00 179.01 177.88 3kxp s THR 77 N -6.18 0.00 0.00 0.32 -1.32 -1.26 -4.85 115.64 102.35 3kxp s THR 77 Ca -0.13 -1.72 0.00 0.00 -1.21 0.00 0.00 61.69 58.63 3kxp s THR 77 Cb 0.14 -2.36 0.00 0.00 -1.51 0.00 0.00 72.50 68.77 3kxp s THR 77 CO 0.71 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.73 3kxp n GLY 78 N -0.32 0.68 0.66 6.08 0.00 -1.26 -5.06 105.19 105.97 3kxp n GLY 78 Ca 0.00 -0.81 0.06 0.00 0.00 0.00 0.00 46.02 45.26 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 0.03 -2.18 1.61 4.02 -1.26 -4.73 117.16 114.66 3kxp n TYR 79 Ca 0.00 -1.46 -0.27 0.00 -0.01 0.00 0.00 57.90 56.16 3kxp n TYR 79 Cb 0.00 -0.25 0.06 0.00 -0.02 0.00 0.00 39.34 39.13 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 -3.08 2.44 0.23 -0.72 0.41 -1.26 -4.46 118.70 112.25 3kxp s GLU 80 Ca 0.38 -0.05 -0.09 0.00 -0.41 0.00 0.00 54.97 54.80 3kxp s GLU 80 Cb 0.37 -2.15 0.36 0.00 -1.78 0.00 0.00 34.13 30.93 3kxp s GLU 80 CO -0.07 -1.12 1.67 0.00 -0.49 0.00 0.00 175.26 175.25 3kxp h ALA 81 N -0.55 0.72 -0.90 5.21 0.00 -1.97 -1.62 119.26 120.15 3kxp h ALA 81 Ca -0.45 0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.69 3kxp h ALA 81 Cb 1.29 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 19.34 3kxp h ALA 81 CO 0.62 -0.38 0.58 -0.91 0.00 0.00 0.00 179.25 179.16 3kxp h ASN 82 N 0.16 0.96 0.61 0.00 -0.26 -1.98 -0.30 115.58 114.78 3kxp h ASN 82 Ca 0.36 -0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 56.06 3kxp h ASN 82 Cb 0.59 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 37.64 3kxp h ASN 82 CO -0.53 0.66 -0.30 0.44 -1.06 0.00 0.00 177.43 176.63 3kxp h ASP 83 N 1.12 -0.71 -0.99 5.81 3.32 -1.60 0.37 116.42 123.73 3kxp h ASP 83 Ca 0.36 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.49 3kxp h ASP 83 Cb 0.02 0.19 -0.06 0.00 0.22 0.00 0.00 39.33 39.70 3kxp h ASP 83 CO -0.12 -0.50 0.65 1.88 -1.72 0.00 0.00 179.24 179.42 3kxp h TYR 84 N -0.83 1.20 0.17 4.55 -1.99 -1.37 -2.23 116.97 116.48 3kxp h TYR 84 Ca -0.08 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.67 3kxp h TYR 84 Cb 0.64 -0.40 0.00 0.00 2.00 0.00 0.00 36.73 38.97 3kxp h TYR 84 CO -0.04 0.66 -0.08 0.00 -0.00 0.00 0.00 178.16 178.70 3kxp h ALA 85 N 1.44 -0.23 -0.78 3.88 0.00 -0.64 -2.71 119.26 120.24 3kxp h ALA 85 Ca 0.41 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.32 3kxp h ALA 85 Cb 0.08 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3kxp h ALA 85 CO -0.14 -0.56 0.51 -0.44 0.00 0.00 0.00 179.25 178.62 3kxp h ASP 86 N -0.36 0.60 -0.61 0.00 3.32 0.01 -0.66 116.42 118.71 3kxp h ASP 86 Ca -0.02 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.08 3kxp h ASP 86 Cb 0.28 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 3kxp h ASP 86 CO 0.04 0.35 0.37 0.44 -1.72 0.00 0.00 179.24 178.71 3kxp h ASP 87 N 0.66 0.59 -0.31 6.45 3.45 -1.13 -1.11 116.42 125.01 3kxp h ASP 87 Ca 0.36 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.82 3kxp h ASP 87 Cb 0.52 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 39.16 3kxp h ASP 87 CO -0.14 0.40 0.16 0.40 -1.57 0.00 0.00 179.24 178.50 3kxp h ILE 88 N 0.71 1.13 -0.05 0.35 2.04 -0.82 0.90 117.51 121.77 3kxp h ILE 88 Ca 0.25 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 3kxp h ILE 88 Cb 0.05 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 3kxp h ILE 88 CO -0.12 0.15 -0.15 0.00 0.00 0.00 0.00 178.15 178.03 3kxp h ALA 89 N 1.69 0.09 -0.73 1.87 0.00 -1.05 -1.74 119.26 119.39 3kxp h ALA 89 Ca 0.12 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3kxp h ALA 89 Cb 0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3kxp h ALA 89 CO -0.02 0.00 0.33 0.78 0.00 0.00 0.00 179.25 180.35 3kxp h GLY 90 N -0.33 1.12 1.05 0.00 0.00 -0.95 -0.28 103.07 103.68 3kxp h GLY 90 Ca -0.00 -0.56 -0.06 0.00 0.00 0.00 0.00 47.33 46.71 3kxp h GLY 90 CO 0.03 0.53 0.21 -2.00 0.00 0.00 0.00 176.54 175.31 3kxp h LEU 91 N 1.04 1.06 -0.49 3.11 7.12 -0.82 0.04 115.31 126.37 3kxp h LEU 91 Ca 0.25 -0.22 -0.15 0.00 0.13 0.00 0.00 57.88 57.89 3kxp h LEU 91 Cb 0.13 -0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 39.98 3kxp h LEU 91 CO -0.03 1.00 -0.40 0.40 -0.13 0.00 0.00 178.44 179.28 3kxp h ILE 92 N 1.07 1.28 -0.28 4.05 2.04 -0.74 -2.21 117.51 122.72 3kxp h ILE 92 Ca 0.23 -1.58 -0.09 0.00 1.00 0.00 0.00 64.86 64.42 3kxp h ILE 92 Cb 0.33 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 3kxp h ILE 92 CO -0.00 0.52 -0.17 0.03 0.00 0.00 0.00 178.15 178.52 3kxp h ARG 93 N 0.65 0.61 0.13 2.37 3.08 -0.84 -2.78 114.38 117.59 3kxp h ARG 93 Ca 0.05 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 3kxp h ARG 93 Cb 0.97 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.00 3kxp h ARG 93 CO 0.09 0.86 -0.09 1.15 -1.07 0.00 0.00 179.97 180.92 3kxp h THR 94 N 0.35 0.80 -0.31 2.04 2.02 -0.97 -2.02 112.91 114.83 3kxp h THR 94 Ca 0.06 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.32 3kxp h THR 94 Cb 0.70 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 3kxp h THR 94 CO 0.05 0.00 0.22 -0.07 0.37 0.00 0.00 175.52 176.09 3kxp h LEU 95 N -0.22 0.03 -3.37 2.58 3.38 -1.43 -3.46 115.31 112.82 3kxp h LEU 95 Ca -0.01 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.56 3kxp h LEU 95 Cb 0.19 -0.01 0.03 0.00 0.09 0.00 0.00 40.66 40.96 3kxp h LEU 95 CO -0.00 0.02 -0.85 0.00 0.09 0.00 0.00 178.44 177.70 3kxp n ALA 96 N -2.59 -2.65 -2.73 1.53 0.00 -0.76 -4.92 120.51 108.40 3kxp n ALA 96 Ca 0.04 -0.26 0.01 0.00 0.00 0.00 0.00 53.44 53.23 3kxp n ALA 96 Cb 0.36 -2.26 0.04 0.00 0.00 0.00 0.00 19.45 17.60 3kxp n ALA 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kxp n ARG 97 N -3.36 1.26 -0.13 0.00 1.74 -1.26 -5.13 116.66 109.77 3kxp n ARG 97 Ca -0.16 -2.98 0.02 0.00 -0.77 0.00 0.00 57.85 53.96 3kxp n ARG 97 Cb 0.61 -1.08 -0.00 0.00 -1.02 0.00 0.00 32.46 30.97 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 -0.37 -1.46 3.71 -0.13 0.00 -1.26 -4.44 105.19 101.24 3kxp n GLY 98 Ca 0.05 -1.50 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.31 1.93 0.17 1.61 0.00 -1.26 -4.91 115.29 111.53 3kxp s HIS 99 Ca 0.00 1.72 0.11 0.00 -3.00 0.00 0.00 55.06 53.89 3kxp s HIS 99 Cb 0.00 -3.25 -0.04 0.00 -4.00 0.00 0.00 32.58 25.28 3kxp s HIS 99 CO 0.00 -2.49 -0.24 0.00 -1.00 0.00 0.00 174.74 171.01 3kxp s ALA 100 N -2.71 2.51 -0.15 -1.38 0.00 -0.36 -4.36 121.76 115.30 3kxp s ALA 100 Ca 0.65 -1.58 -0.19 0.00 0.00 0.00 0.00 51.96 50.84 3kxp s ALA 100 Cb -0.21 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 3kxp s ALA 100 CO 0.57 0.47 0.51 0.42 0.00 0.00 0.00 175.76 177.73 3kxp s ILE 101 N -1.48 5.14 -0.32 0.00 1.01 -0.75 -0.30 121.20 124.50 3kxp s ILE 101 Ca 0.19 0.99 -0.12 0.00 0.00 0.00 0.00 60.65 61.71 3kxp s ILE 101 Cb -0.09 -3.85 -0.02 0.00 0.01 0.00 0.00 42.46 38.52 3kxp s ILE 101 CO 0.09 0.25 0.21 -0.76 0.00 0.00 0.00 174.94 174.73 3kxp s LEU 102 N 1.11 4.32 -0.42 2.97 1.02 0.23 -0.82 118.68 127.10 3kxp s LEU 102 Ca 0.26 -0.35 -0.06 0.00 0.02 0.00 0.00 54.13 54.00 3kxp s LEU 102 Cb -0.15 -2.11 0.10 0.00 0.02 0.00 0.00 46.19 44.05 3kxp s LEU 102 CO 0.10 -0.18 0.24 -0.69 0.02 0.00 0.00 176.35 175.84 3kxp s VAL 103 N 1.71 3.76 0.14 -1.59 1.01 0.79 -0.09 120.40 126.13 3kxp s VAL 103 Ca 0.06 -1.75 0.11 0.00 0.00 0.00 0.00 61.98 60.40 3kxp s VAL 103 Cb -0.17 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 3kxp s VAL 103 CO 0.10 -0.62 -0.26 -0.83 0.00 0.00 0.00 175.10 173.49 3kxp s GLY 104 N 2.08 1.61 -0.12 4.51 0.00 -0.80 -0.63 107.32 113.98 3kxp s GLY 104 Ca 0.05 -1.50 0.02 0.00 0.00 0.00 0.00 44.72 43.29 3kxp s GLY 104 CO -0.01 -1.49 -0.19 -1.58 0.00 0.00 0.00 173.10 169.83 3kxp s HIS 105 N -1.20 2.29 0.00 1.90 2.46 -0.59 -0.69 115.29 119.46 3kxp s HIS 105 Ca 0.16 -1.10 0.00 0.00 0.47 0.00 0.00 55.06 54.59 3kxp s HIS 105 Cb -0.10 -1.60 0.00 0.00 -0.13 0.00 0.00 32.58 30.76 3kxp s HIS 105 CO 0.07 -0.52 0.00 0.45 -2.47 0.00 0.00 174.74 172.27 3kxp n SER 106 N 4.09 0.00 -0.34 9.88 2.88 0.23 0.01 113.62 130.36 3kxp n SER 106 Ca -0.19 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.51 3kxp n SER 106 Cb 0.51 0.00 0.33 0.00 -0.75 0.00 0.00 64.21 64.30 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 -0.40 -1.16 2.46 5.85 -1.89 0.83 115.31 121.00 3kxp h LEU 107 Ca 0.00 0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 3kxp h LEU 107 Cb 0.00 0.47 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 3kxp h LEU 107 CO 0.00 -0.38 0.42 1.23 -0.34 0.00 0.00 178.44 179.37 3kxp h GLY 108 N 0.00 1.06 1.13 3.75 0.00 0.72 -1.96 103.07 107.78 3kxp h GLY 108 Ca 0.64 -0.45 -0.18 0.00 0.00 0.00 0.00 47.33 47.33 3kxp h GLY 108 CO -0.92 0.44 -0.52 0.00 0.00 0.00 0.00 176.54 175.54 3kxp h ALA 109 N 1.45 0.46 -0.34 3.60 0.00 0.57 -1.76 119.26 123.25 3kxp h ALA 109 Ca 0.26 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.68 3kxp h ALA 109 Cb -0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3kxp h ALA 109 CO -0.05 0.66 0.21 -0.09 0.00 0.00 0.00 179.25 179.99 3kxp h ARG 110 N 0.67 0.42 -0.62 0.00 1.12 -0.92 -0.88 114.38 114.17 3kxp h ARG 110 Ca 0.02 -0.03 -0.08 0.00 -1.11 0.00 0.00 59.98 58.78 3kxp h ARG 110 Cb 1.13 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 30.97 3kxp h ARG 110 CO 0.12 0.28 0.06 -0.91 -3.11 0.00 0.00 179.97 176.41 3kxp h ASN 111 N 0.43 0.99 -0.28 -3.80 2.35 -1.34 -2.11 115.58 111.82 3kxp h ASN 111 Ca 0.13 -0.25 -0.10 0.00 -0.55 0.00 0.00 56.30 55.54 3kxp h ASN 111 Cb -0.02 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 3kxp h ASN 111 CO -0.05 1.01 -0.16 0.28 -1.65 0.00 0.00 177.43 176.86 3kxp h SER 112 N 0.96 0.72 -0.12 5.81 0.02 -0.92 0.97 113.55 120.99 3kxp h SER 112 Ca 0.18 -0.23 -0.13 0.00 -0.84 0.00 0.00 61.79 60.77 3kxp h SER 112 Cb 0.47 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.82 3kxp h SER 112 CO 0.02 0.89 -0.43 0.58 -1.14 0.00 0.00 176.83 176.75 3kxp h VAL 113 N 0.65 1.36 -0.80 2.27 2.07 -1.08 -0.60 116.25 120.12 3kxp h VAL 113 Ca 0.10 -1.74 0.02 0.00 0.82 0.00 0.00 66.70 65.90 3kxp h VAL 113 Cb 0.63 2.12 -0.04 0.00 -1.52 0.00 0.00 31.29 32.48 3kxp h VAL 113 CO 0.04 0.52 0.52 0.74 0.02 0.00 0.00 177.57 179.42 3kxp h THR 114 N 0.11 1.17 0.06 2.57 2.02 -1.27 -0.53 112.91 117.05 3kxp h THR 114 Ca -0.02 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 3kxp h THR 114 Cb 1.06 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 3kxp h THR 114 CO 0.09 0.19 -0.03 0.00 0.37 0.00 0.00 175.52 176.14 3kxp h ALA 115 N 1.31 -0.08 0.00 6.16 0.00 -0.73 -2.01 119.26 123.91 3kxp h ALA 115 Ca 0.30 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3kxp h ALA 115 Cb -0.07 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kxp h ALA 115 CO -0.08 -0.47 -0.11 0.00 0.00 0.00 0.00 179.25 178.59 3kxp h ALA 116 N 0.71 1.65 0.01 0.00 0.00 -0.77 0.35 119.26 121.22 3kxp h ALA 116 Ca -0.01 -0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.57 3kxp h ALA 116 Cb 0.20 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.98 3kxp h ALA 116 CO 0.01 0.14 -0.98 0.00 0.00 0.00 0.00 179.25 178.42 3kxp h ALA 117 N 1.89 0.30 0.03 0.00 0.00 -0.89 -3.18 119.26 117.41 3kxp h ALA 117 Ca -0.00 -0.72 -0.27 0.00 0.00 0.00 0.00 54.91 53.93 3kxp h ALA 117 Cb 0.22 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3kxp h ALA 117 CO 0.01 0.80 -1.42 -0.22 0.00 0.00 0.00 179.25 178.42 3kxp h LYS 118 N 0.25 0.07 -2.10 0.00 3.64 -0.74 -3.41 116.57 114.28 3kxp h LYS 118 Ca -0.09 -0.12 -0.58 0.00 -1.27 0.00 0.00 60.65 58.60 3kxp h LYS 118 Cb 1.62 0.04 -0.41 0.00 -0.41 0.00 0.00 32.23 33.08 3kxp h LYS 118 CO 0.17 0.84 -0.85 0.66 -2.27 0.00 0.00 179.45 178.01 3kxp n TYR 119 N -3.26 1.75 0.07 1.91 4.02 0.12 -4.97 117.16 116.80 3kxp n TYR 119 Ca -0.11 -3.87 0.18 0.00 -0.01 0.00 0.00 57.90 54.09 3kxp n TYR 119 Cb 1.01 -0.46 0.70 0.00 -0.02 0.00 0.00 39.34 40.57 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 3.97 0.00 0.00 -0.72 0.13 -1.77 -1.92 132.00 131.69 3kxp h PRO 120 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3kxp h PRO 120 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3kxp h PRO 120 CO 0.66 0.00 -0.08 -0.44 -0.23 0.00 0.00 178.00 177.91 3kxp h ASP 121 N 0.00 0.00 0.55 1.44 3.45 -1.93 -3.26 116.42 116.68 3kxp h ASP 121 Ca 0.19 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.63 3kxp h ASP 121 Cb 0.79 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.56 3kxp h ASP 121 CO -0.00 0.01 -0.89 0.18 -1.57 0.00 0.00 179.24 176.96 3kxp n LEU 122 N -2.57 0.63 -4.16 1.55 4.77 -0.73 -4.62 117.00 111.87 3kxp n LEU 122 Ca 0.05 0.05 -0.33 0.00 -0.03 0.00 0.00 56.01 55.75 3kxp n LEU 122 Cb 0.47 -0.13 -0.16 0.00 -2.33 0.00 0.00 43.42 41.27 3kxp n LEU 122 CO 0.32 0.02 -0.54 0.68 -1.33 0.00 0.00 177.39 176.55 3kxp s VAL 123 N -3.18 2.09 -0.04 4.08 -7.23 -1.20 -1.22 120.40 113.69 3kxp s VAL 123 Ca 0.05 -0.96 -0.26 0.00 -1.81 0.00 0.00 61.98 58.99 3kxp s VAL 123 Cb 0.14 -1.84 -0.21 0.00 0.56 0.00 0.00 36.38 35.03 3kxp s VAL 123 CO 0.77 0.55 1.17 -0.09 -0.31 0.00 0.00 175.10 177.19 3kxp h ARG 124 N 7.48 0.02 -2.73 4.82 2.43 -0.94 -3.46 114.38 122.00 3kxp h ARG 124 Ca -0.36 -0.01 0.11 0.00 -0.81 0.00 0.00 59.98 58.91 3kxp h ARG 124 Cb 1.18 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.67 3kxp h ARG 124 CO 0.58 0.61 0.35 -1.54 -1.51 0.00 0.00 179.97 178.45 3kxp s SER 125 N -5.82 -0.19 0.03 -3.80 1.04 -1.25 -4.27 113.70 99.45 3kxp s SER 125 Ca -0.16 -0.59 0.02 0.00 0.48 0.00 0.00 55.95 55.69 3kxp s SER 125 Cb 0.01 0.64 -0.02 0.00 0.10 0.00 0.00 66.02 66.75 3kxp s SER 125 CO 0.68 -1.20 -0.07 -0.69 0.98 0.00 0.00 173.24 172.95 3kxp s VAL 126 N -3.42 0.46 -0.35 5.02 1.01 0.58 -0.60 120.40 123.10 3kxp s VAL 126 Ca 0.13 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.34 3kxp s VAL 126 Cb -0.04 -0.50 0.10 0.00 0.00 0.00 0.00 36.38 35.94 3kxp s VAL 126 CO 0.06 -0.24 0.07 -0.69 0.00 0.00 0.00 175.10 174.30 3kxp s VAL 127 N -1.00 2.17 -0.75 2.92 1.01 0.87 -0.36 120.40 125.27 3kxp s VAL 127 Ca -0.07 -2.35 -0.21 0.00 0.00 0.00 0.00 61.98 59.36 3kxp s VAL 127 Cb -0.07 -2.60 0.09 0.00 0.00 0.00 0.00 36.38 33.80 3kxp s VAL 127 CO 0.00 -0.63 1.00 0.00 0.00 0.00 0.00 175.10 175.48 3kxp s ALA 128 N 0.86 3.22 -0.53 5.51 0.00 0.15 -1.90 121.76 129.07 3kxp s ALA 128 Ca 0.11 -2.19 -0.23 0.00 0.00 0.00 0.00 51.96 49.65 3kxp s ALA 128 Cb -0.19 -3.90 0.04 0.00 0.00 0.00 0.00 23.12 19.07 3kxp s ALA 128 CO -0.09 -2.82 0.86 0.42 0.00 0.00 0.00 175.76 174.13 3kxp s ILE 129 N 3.49 4.52 -1.05 0.00 1.01 0.13 -1.81 121.20 127.49 3kxp s ILE 129 Ca 0.25 0.14 -0.11 0.00 0.00 0.00 0.00 60.65 60.93 3kxp s ILE 129 Cb -0.13 -4.47 -0.04 0.00 0.01 0.00 0.00 42.46 37.83 3kxp s ILE 129 CO 0.03 -1.01 0.86 -0.67 0.00 0.00 0.00 174.94 174.15 3kxp n ASP 130 N 7.11 -6.27 -3.23 3.58 2.03 0.13 -0.60 116.55 119.30 3kxp n ASP 130 Ca 0.00 -0.77 0.04 0.00 0.52 0.00 0.00 54.79 54.58 3kxp n ASP 130 Cb 0.47 -4.53 -0.02 0.00 -0.72 0.00 0.00 41.12 36.31 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 -3.38 -0.68 0.35 -0.67 2.19 -1.26 -3.91 117.98 110.62 3kxp s PHE 131 Ca 0.42 0.87 0.07 0.00 0.33 0.00 0.00 56.93 58.62 3kxp s PHE 131 Cb -0.09 0.30 -0.02 0.00 -1.31 0.00 0.00 43.02 41.89 3kxp s PHE 131 CO 0.79 -0.36 0.24 0.25 1.83 0.00 0.00 175.22 177.96 3kxp n THR 132 N 5.26 0.00 -1.84 0.12 -2.24 -1.26 -4.70 114.28 109.63 3kxp n THR 132 Ca -0.07 -2.38 -0.29 0.00 -2.27 0.00 0.00 64.05 59.03 3kxp n THR 132 Cb 0.53 1.09 0.15 0.00 -2.10 0.00 0.00 70.33 70.00 3kxp n THR 132 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3kxp s PRO 133 N -3.40 1.06 0.00 -0.78 0.02 -1.26 -4.20 135.00 126.44 3kxp s PRO 133 Ca 0.34 -0.14 0.00 0.00 0.02 0.00 0.00 61.00 61.22 3kxp s PRO 133 Cb 0.02 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.67 3kxp s PRO 133 CO 0.24 -2.17 0.00 0.66 -0.33 0.00 0.00 177.00 175.39 3kxp n TYR 134 N -3.66 0.00 -1.65 6.54 4.02 -1.26 -4.79 117.16 116.35 3kxp n TYR 134 Ca 0.12 0.00 -0.50 0.00 -0.01 0.00 0.00 57.90 57.51 3kxp n TYR 134 Cb 0.60 -0.51 -0.05 0.00 -0.02 0.00 0.00 39.34 39.35 3kxp n TYR 134 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3kxp n ILE 135 N -2.05 0.13 -1.72 -0.72 5.41 -1.26 -4.77 119.36 114.39 3kxp n ILE 135 Ca 0.00 -0.02 -0.35 0.00 1.00 0.00 0.00 62.75 63.38 3kxp n ILE 135 Cb 0.01 -1.34 0.06 0.00 -0.71 0.00 0.00 39.64 37.67 3kxp n ILE 135 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3kxp s GLU 136 N 1.62 2.58 0.25 0.38 1.03 -1.26 -4.91 118.70 118.39 3kxp s GLU 136 Ca 0.85 1.74 -0.04 0.00 0.03 0.00 0.00 54.97 57.54 3kxp s GLU 136 Cb -0.81 -1.89 0.38 0.00 -0.80 0.00 0.00 34.13 31.01 3kxp s GLU 136 CO 0.46 -1.49 1.83 1.15 -1.33 0.00 0.00 175.26 175.88 3kxp h THR 137 N 0.24 0.97 -0.85 1.83 2.02 -2.00 -2.49 112.91 112.62 3kxp h THR 137 Ca -0.49 -0.30 0.09 0.00 0.77 0.00 0.00 66.41 66.48 3kxp h THR 137 Cb 1.29 0.01 -0.07 0.00 -1.74 0.00 0.00 68.15 67.63 3kxp h THR 137 CO 0.53 0.16 0.50 -0.33 0.37 0.00 0.00 175.52 176.75 3kxp h GLU 138 N 0.88 0.83 -0.69 6.66 3.07 -2.00 -1.15 114.58 122.20 3kxp h GLU 138 Ca 0.39 -0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 59.14 3kxp h GLU 138 Cb 0.29 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 27.98 3kxp h GLU 138 CO -0.22 0.55 0.16 0.00 -1.40 0.00 0.00 179.01 178.11 3kxp h ALA 139 N 1.45 0.90 -0.28 3.43 0.00 -1.77 -1.87 119.26 121.14 3kxp h ALA 139 Ca 0.40 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 3kxp h ALA 139 Cb 0.33 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3kxp h ALA 139 CO -0.23 0.63 -0.29 -0.07 0.00 0.00 0.00 179.25 179.30 3kxp h LEU 140 N 1.03 0.57 -0.76 0.00 3.38 -1.24 -2.32 115.31 115.97 3kxp h LEU 140 Ca 0.21 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 3kxp h LEU 140 Cb 0.38 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3kxp h LEU 140 CO 0.00 0.83 -0.32 0.44 0.09 0.00 0.00 178.44 179.49 3kxp h ASP 141 N 0.48 0.60 0.01 -0.43 3.32 -0.98 0.14 116.42 119.57 3kxp h ASP 141 Ca 0.06 -0.24 -0.08 0.00 0.02 0.00 0.00 57.03 56.80 3kxp h ASP 141 Cb 0.74 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 3kxp h ASP 141 CO 0.06 0.88 -0.22 0.00 -1.72 0.00 0.00 179.24 178.24 3kxp h ALA 142 N 1.15 1.25 -0.03 3.45 0.00 -1.12 -1.68 119.26 122.29 3kxp h ALA 142 Ca 0.06 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 3kxp h ALA 142 Cb 0.80 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.49 3kxp h ALA 142 CO 0.07 0.49 -0.50 1.25 0.00 0.00 0.00 179.25 180.56 3kxp h LEU 143 N 0.33 0.50 -0.90 0.00 6.46 -0.98 -2.85 115.31 117.86 3kxp h LEU 143 Ca 0.05 -0.72 0.05 0.00 -0.12 0.00 0.00 57.88 57.14 3kxp h LEU 143 Cb 0.57 -0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 40.30 3kxp h LEU 143 CO 0.04 1.14 0.58 -0.08 -0.62 0.00 0.00 178.44 179.50 3kxp h GLU 144 N -0.11 1.06 -0.36 1.25 4.81 -0.82 -2.37 114.58 118.04 3kxp h GLU 144 Ca -0.05 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.00 3kxp h GLU 144 Cb 1.19 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 3kxp h GLU 144 CO 0.10 0.70 -0.22 0.00 -0.73 0.00 0.00 179.01 178.86 3kxp h ALA 145 N 1.39 0.94 -0.01 2.92 0.00 -1.35 -2.19 119.26 120.96 3kxp h ALA 145 Ca 0.37 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3kxp h ALA 145 Cb 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3kxp h ALA 145 CO -0.14 0.61 -0.52 0.00 0.00 0.00 0.00 179.25 179.20 3kxp h ARG 146 N 0.62 0.03 0.08 0.00 3.08 -1.21 -3.26 114.38 113.73 3kxp h ARG 146 Ca 0.09 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 60.00 3kxp h ARG 146 Cb 0.71 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.77 3kxp h ARG 146 CO 0.05 0.54 -0.58 -0.39 -1.07 0.00 0.00 179.97 178.53 3kxp h VAL 147 N 0.02 1.56 0.00 2.04 -1.51 -1.34 -3.30 116.25 113.73 3kxp h VAL 147 Ca -0.00 -2.45 0.00 0.00 -1.23 0.00 0.00 66.70 63.02 3kxp h VAL 147 Cb 0.93 3.21 0.00 0.00 -2.13 0.00 0.00 31.29 33.30 3kxp h VAL 147 CO 0.07 0.66 0.00 0.59 -1.23 0.00 0.00 177.57 177.66 3kxp n ASN 148 N -4.30 1.93 -0.36 4.19 3.02 -0.83 -2.14 115.26 116.77 3kxp n ASN 148 Ca -0.14 -1.55 0.00 0.00 -0.03 0.00 0.00 54.58 52.86 3kxp n ASN 148 Cb 0.70 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 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 0.49 1.72 -0.04 5.41 0.00 -1.23 -4.89 120.51 121.97 3kxp n ALA 149 Ca 0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 53.44 52.77 3kxp n ALA 149 Cb 0.34 -0.28 -0.10 0.00 0.00 0.00 0.00 19.45 19.41 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 0.00 -0.63 3.56 0.00 0.00 -0.91 -4.88 105.19 102.33 3kxp n GLY 150 Ca 0.00 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 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 -4.20 4.84 0.35 1.61 0.15 -1.26 -4.87 113.70 110.31 3kxp s SER 151 Ca -0.06 -0.65 0.06 0.00 0.70 0.00 0.00 55.95 56.00 3kxp s SER 151 Cb 0.06 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.78 3kxp s SER 151 CO 0.54 -3.06 0.22 0.00 1.20 0.00 0.00 173.24 172.14 3kxp n GLN 152 N 8.77 0.46 -3.77 5.44 10.64 -1.26 -5.06 117.38 132.60 3kxp n GLN 152 Ca 0.42 -3.23 -0.37 0.00 -1.83 0.00 0.00 57.00 51.99 3kxp n GLN 152 Cb 0.46 2.30 -0.13 0.00 -0.86 0.00 0.00 30.24 32.02 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 3.80 -0.08 2.61 2.96 -1.26 -4.41 118.68 122.29 3kxp s LEU 153 Ca 0.31 -0.70 -0.10 0.00 -0.22 0.00 0.00 54.13 53.41 3kxp s LEU 153 Cb 0.02 -1.87 -0.05 0.00 0.50 0.00 0.00 46.19 44.79 3kxp s LEU 153 CO 0.22 -0.18 0.25 -0.36 -1.32 0.00 0.00 176.35 174.96 3kxp s PHE 154 N 1.49 3.64 0.00 5.38 0.40 -0.57 -4.94 117.98 123.37 3kxp s PHE 154 Ca 0.03 0.71 0.00 0.00 -0.60 0.00 0.00 56.93 57.06 3kxp s PHE 154 Cb -0.17 -2.10 0.00 0.00 0.51 0.00 0.00 43.02 41.26 3kxp s PHE 154 CO 0.02 0.66 0.40 0.39 0.70 0.00 0.00 175.22 177.40 3kxp n GLU 155 N 2.05 0.00 -1.57 0.44 1.02 -1.26 -1.43 120.64 119.89 3kxp n GLU 155 Ca -0.17 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 3kxp n GLU 155 Cb 0.54 -0.90 0.00 0.00 -0.02 0.00 0.00 31.44 31.05 3kxp n GLU 155 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3kxp n ASP 156 N -0.65 1.67 0.22 1.62 5.75 -1.26 -3.89 116.55 120.01 3kxp n ASP 156 Ca 0.00 -0.78 0.09 0.00 -0.01 0.00 0.00 54.79 54.09 3kxp n ASP 156 Cb 0.00 0.00 0.49 0.00 -1.03 0.00 0.00 41.12 40.58 3kxp n ASP 156 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 3kxp h ILE 157 N 0.78 0.65 -0.47 2.12 2.10 -1.98 -2.95 117.51 117.76 3kxp h ILE 157 Ca 0.00 -1.08 -0.01 0.00 1.08 0.00 0.00 64.86 64.86 3kxp h ILE 157 Cb 0.00 1.70 -0.02 0.00 -1.09 0.00 0.00 36.82 37.41 3kxp h ILE 157 CO 0.00 0.23 0.27 0.11 -1.08 0.00 0.00 178.15 177.68 3kxp h LYS 158 N 0.00 0.66 0.00 2.19 1.57 -1.99 -1.04 116.57 117.95 3kxp h LYS 158 Ca -0.00 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 3kxp h LYS 158 Cb 0.68 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 3kxp h LYS 158 CO 0.03 0.50 -0.21 0.00 -0.57 0.00 0.00 179.45 179.20 3kxp h ALA 159 N 1.12 1.27 -0.02 3.86 0.00 -1.92 -1.76 119.26 121.80 3kxp h ALA 159 Ca 0.17 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3kxp h ALA 159 Cb 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kxp h ALA 159 CO -0.03 0.26 -0.14 0.28 0.00 0.00 0.00 179.25 179.62 3kxp h VAL 160 N 0.00 1.50 -0.77 0.00 2.07 -1.27 -2.29 116.25 115.49 3kxp h VAL 160 Ca -0.00 -1.69 -0.00 0.00 0.82 0.00 0.00 66.70 65.83 3kxp h VAL 160 Cb 0.50 2.54 -0.04 0.00 -1.52 0.00 0.00 31.29 32.78 3kxp h VAL 160 CO 0.03 0.46 0.47 -0.33 0.02 0.00 0.00 177.57 178.22 3kxp h GLU 161 N -0.48 1.04 -0.76 1.57 5.08 -1.04 -0.05 114.58 119.94 3kxp h GLU 161 Ca -0.01 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3kxp h GLU 161 Cb 0.82 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 3kxp h GLU 161 CO 0.03 0.73 0.49 0.00 -1.00 0.00 0.00 179.01 179.26 3kxp h ALA 162 N 1.25 0.98 -0.57 3.43 0.00 -1.36 0.13 119.26 123.12 3kxp h ALA 162 Ca 0.28 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 3kxp h ALA 162 Cb -0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3kxp h ALA 162 CO -0.05 0.32 -0.04 -0.92 0.00 0.00 0.00 179.25 178.56 3kxp h TYR 163 N 0.98 1.15 -0.16 0.00 3.20 -0.76 -2.87 116.97 118.51 3kxp h TYR 163 Ca 0.29 -0.21 -0.14 0.00 3.14 0.00 0.00 58.73 61.80 3kxp h TYR 163 Cb -0.04 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 37.93 3kxp h TYR 163 CO -0.03 1.03 -0.51 -0.07 -1.64 0.00 0.00 178.16 176.94 3kxp h LEU 164 N 0.93 0.48 -1.04 2.82 3.38 -0.60 -2.48 115.31 118.80 3kxp h LEU 164 Ca 0.16 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 3kxp h LEU 164 Cb 0.60 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3kxp h LEU 164 CO 0.04 0.91 -0.23 0.00 0.09 0.00 0.00 178.44 179.25 3kxp h ALA 165 N 1.10 1.19 0.00 1.53 0.00 -0.92 -0.36 119.26 121.81 3kxp h ALA 165 Ca 0.01 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 3kxp h ALA 165 Cb 1.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3kxp h ALA 165 CO 0.09 0.52 -0.40 0.78 0.00 0.00 0.00 179.25 180.24 3kxp h GLY 166 N 0.99 0.00 1.25 0.00 0.00 -1.43 -2.43 103.07 101.45 3kxp h GLY 166 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.08 3kxp h GLY 166 CO 0.04 0.00 -1.52 -0.09 0.00 0.00 0.00 176.54 174.97 3kxp h ARG 167 N 0.00 0.24 -2.14 4.80 2.43 -1.13 -3.38 114.38 115.20 3kxp h ARG 167 Ca -0.01 -0.41 -0.58 0.00 -0.81 0.00 0.00 59.98 58.17 3kxp h ARG 167 Cb 1.26 0.15 -0.41 0.00 -0.42 0.00 0.00 29.97 30.55 3kxp h ARG 167 CO 0.04 1.10 -0.77 0.66 -1.51 0.00 0.00 179.97 179.49 3kxp n TYR 168 N -3.44 2.40 -0.09 2.20 4.02 -0.17 -4.96 117.16 117.10 3kxp n TYR 168 Ca -0.16 -3.96 0.26 0.00 -0.01 0.00 0.00 57.90 54.03 3kxp n TYR 168 Cb 1.04 -0.49 0.72 0.00 -0.02 0.00 0.00 39.34 40.59 3kxp n TYR 168 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3kxp h PRO 169 N 3.97 0.00 0.00 -0.72 0.13 -1.63 -1.90 132.00 131.85 3kxp h PRO 169 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3kxp h PRO 169 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3kxp h PRO 169 CO 0.71 0.00 -0.53 -0.91 -0.23 0.00 0.00 178.00 177.05 3kxp h ASN 170 N 0.00 0.00 -3.14 1.44 2.35 -1.93 -3.46 115.58 110.84 3kxp h ASN 170 Ca 0.35 -0.02 -0.53 0.00 -0.55 0.00 0.00 56.30 55.55 3kxp h ASN 170 Cb 1.55 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.94 3kxp h ASN 170 CO -0.00 0.01 0.65 -0.63 -1.65 0.00 0.00 177.43 175.81 3kxp s ILE 171 N -3.27 3.54 0.81 2.81 1.01 -0.71 -4.81 121.20 120.58 3kxp s ILE 171 Ca 0.04 1.14 -0.14 0.00 0.00 0.00 0.00 60.65 61.68 3kxp s ILE 171 Cb 0.08 -3.73 0.04 0.00 0.01 0.00 0.00 42.46 38.86 3kxp s ILE 171 CO 0.73 0.11 0.85 -2.65 0.00 0.00 0.00 174.94 173.97 3kxp n PRO 172 N 3.67 0.14 -0.04 2.79 -0.02 -1.26 -4.78 135.00 135.51 3kxp n PRO 172 Ca 0.09 0.11 -0.08 0.00 -2.02 0.00 0.00 63.50 61.60 3kxp n PRO 172 Cb 0.44 -2.15 -0.02 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 -0.84 0.17 -0.95 3.55 0.00 -1.97 -2.02 119.26 117.20 3kxp h ALA 173 Ca -0.46 0.06 0.15 0.00 0.00 0.00 0.00 54.91 54.67 3kxp h ALA 173 Cb 1.31 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 19.13 3kxp h ALA 173 CO 0.43 -0.44 0.60 0.38 0.00 0.00 0.00 179.25 180.22 3kxp h ASP 174 N 0.05 0.75 1.20 0.00 3.04 -2.00 0.28 116.42 119.74 3kxp h ASP 174 Ca 0.10 0.05 -0.10 0.00 -3.24 0.00 0.00 57.03 53.84 3kxp h ASP 174 Cb 0.13 -0.09 -0.01 0.00 -1.04 0.00 0.00 39.33 38.31 3kxp h ASP 174 CO -0.17 0.36 -0.49 0.00 -2.04 0.00 0.00 179.24 176.89 3kxp h ALA 175 N 1.59 0.77 -0.38 4.15 0.00 -1.81 -2.75 119.26 120.83 3kxp h ALA 175 Ca 0.49 -0.45 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 3kxp h ALA 175 Cb 0.73 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3kxp h ALA 175 CO -0.26 0.62 -0.33 0.82 0.00 0.00 0.00 179.25 180.10 3kxp h ILE 176 N 0.00 1.28 -0.60 0.00 1.08 -0.28 -2.55 117.51 116.43 3kxp h ILE 176 Ca -0.00 -1.50 -0.09 0.00 -0.39 0.00 0.00 64.86 62.87 3kxp h ILE 176 Cb 1.23 1.37 -0.02 0.00 -3.07 0.00 0.00 36.82 36.32 3kxp h ILE 176 CO 0.06 0.50 0.02 -0.09 -0.69 0.00 0.00 178.15 177.95 3kxp h ARG 177 N 0.72 1.05 -0.81 2.37 2.43 -1.15 0.03 114.38 119.02 3kxp h ARG 177 Ca 0.07 -0.33 0.03 0.00 -0.81 0.00 0.00 59.98 58.94 3kxp h ARG 177 Cb 0.92 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.32 3kxp h ARG 177 CO 0.08 1.02 0.52 0.82 -1.51 0.00 0.00 179.97 180.91 3kxp h ILE 178 N 0.95 1.14 -0.17 1.20 2.04 -1.38 0.10 117.51 121.40 3kxp h ILE 178 Ca 0.17 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 3kxp h ILE 178 Cb 0.54 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3kxp h ILE 178 CO 0.03 0.19 -0.02 0.03 0.00 0.00 0.00 178.15 178.38 3kxp h ARG 179 N 1.03 0.31 -0.43 2.37 3.08 -1.16 -1.94 114.38 117.64 3kxp h ARG 179 Ca 0.32 -0.11 0.07 0.00 0.07 0.00 0.00 59.98 60.33 3kxp h ARG 179 Cb -0.02 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 29.95 3kxp h ARG 179 CO -0.10 0.55 0.10 0.00 -1.07 0.00 0.00 179.97 179.45 3kxp h ALA 180 N 0.75 0.48 0.00 0.04 0.00 -0.36 0.12 119.26 120.28 3kxp h ALA 180 Ca 0.05 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3kxp h ALA 180 Cb 0.43 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3kxp h ALA 180 CO 0.01 -0.30 -0.43 0.93 0.00 0.00 0.00 179.25 179.46 3kxp h GLU 181 N 0.24 0.00 0.00 0.00 5.08 -0.79 -3.31 114.58 115.79 3kxp h GLU 181 Ca 0.21 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.20 3kxp h GLU 181 Cb 0.25 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.43 3kxp h GLU 181 CO -0.26 0.43 -2.35 -1.13 -1.00 0.00 0.00 179.01 174.69 3kxp n SER 182 N -3.67 0.12 -0.92 1.42 3.41 -0.73 -4.52 113.62 108.73 3kxp n SER 182 Ca -0.01 0.02 0.10 0.00 -0.26 0.00 0.00 58.87 58.73 3kxp n SER 182 Cb 0.52 0.89 0.27 0.00 -0.26 0.00 0.00 64.21 65.62 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 1.76 1.22 3.02 5.00 0.00 -0.00 -4.90 105.19 111.28 3kxp n GLY 183 Ca -0.33 -0.59 -0.21 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.52 1.05 0.09 1.61 1.51 -1.25 -0.92 117.35 117.92 3kxp s TYR 184 Ca 0.36 -0.26 0.10 0.00 -1.01 0.00 0.00 57.07 56.25 3kxp s TYR 184 Cb 0.20 -0.73 -0.04 0.00 -0.11 0.00 0.00 41.96 41.28 3kxp s TYR 184 CO 0.28 -0.10 -0.25 1.14 -1.11 0.00 0.00 175.55 175.50 3kxp s GLN 185 N 0.14 1.63 0.05 -0.62 -2.07 -0.43 -4.89 119.66 113.47 3kxp s GLN 185 Ca -0.03 -1.22 -0.31 0.00 -1.82 0.00 0.00 55.36 51.99 3kxp s GLN 185 Cb -0.09 -1.97 -0.06 0.00 -1.09 0.00 0.00 33.01 29.80 3kxp s GLN 185 CO 0.01 0.48 1.36 -1.25 -1.32 0.00 0.00 175.29 174.57 3kxp s PRO 186 N -1.72 4.32 0.42 9.60 0.04 -1.26 -1.59 135.00 144.82 3kxp s PRO 186 Ca 0.14 1.97 0.04 0.00 0.04 0.00 0.00 61.00 63.19 3kxp s PRO 186 Cb -0.10 -3.43 -0.02 0.00 0.04 0.00 0.00 34.50 30.99 3kxp s PRO 186 CO 0.05 -0.48 0.16 0.54 0.04 0.00 0.00 177.00 177.31 3kxp s VAL 187 N 1.78 0.44 -0.80 -0.36 0.11 0.36 -4.95 120.40 116.99 3kxp s VAL 187 Ca 0.63 -2.00 -0.23 0.00 -2.93 0.00 0.00 61.98 57.45 3kxp s VAL 187 Cb -0.33 -2.29 -0.18 0.00 -1.53 0.00 0.00 36.38 32.06 3kxp s VAL 187 CO 0.28 0.00 2.40 -0.67 -3.33 0.00 0.00 175.10 173.78 3kxp n ASP 188 N -1.50 0.97 0.00 3.54 4.64 -1.26 -1.35 116.55 121.60 3kxp n ASP 188 Ca -0.05 -0.82 0.00 0.00 -1.38 0.00 0.00 54.79 52.54 3kxp n ASP 188 Cb 0.64 -1.29 0.00 0.00 -1.04 0.00 0.00 41.12 39.44 3kxp n ASP 188 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3kxp n GLY 189 N 6.28 1.45 0.00 0.27 0.00 -1.26 -5.02 105.19 106.91 3kxp n GLY 189 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 -0.12 -0.70 3.78 -0.02 0.00 -0.46 -4.82 105.19 102.85 3kxp n GLY 190 Ca 0.00 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 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 3.96 0.07 0.99 2.01 -0.52 0.14 118.68 125.32 3kxp s LEU 191 Ca 0.00 0.24 0.03 0.00 0.01 0.00 0.00 54.13 54.40 3kxp s LEU 191 Cb 0.00 -2.11 -0.03 0.00 0.01 0.00 0.00 46.19 44.06 3kxp s LEU 191 CO 0.00 0.34 -0.09 -0.60 1.01 0.00 0.00 176.35 177.01 3kxp s ARG 192 N -1.33 0.69 0.36 1.70 3.52 -0.62 -1.52 118.95 121.75 3kxp s ARG 192 Ca 0.18 -0.99 -0.28 0.00 -0.13 0.00 0.00 55.73 54.51 3kxp s ARG 192 Cb -0.12 -0.37 -0.11 0.00 -1.56 0.00 0.00 34.95 32.80 3kxp s ARG 192 CO 0.08 0.05 1.42 -2.14 -0.81 0.00 0.00 175.30 173.91 3kxp s PRO 193 N -2.35 4.20 0.22 5.12 0.02 -1.26 -1.31 135.00 139.63 3kxp s PRO 193 Ca -0.01 2.44 -0.01 0.00 0.02 0.00 0.00 61.00 63.44 3kxp s PRO 193 Cb -0.05 -3.01 0.20 0.00 0.02 0.00 0.00 34.50 31.66 3kxp s PRO 193 CO -0.01 -0.41 1.56 -0.07 -0.33 0.00 0.00 177.00 177.74 3kxp h LEU 194 N 3.21 0.53 -9.98 -5.54 3.38 -1.37 -3.45 115.31 102.08 3kxp h LEU 194 Ca -0.50 -0.26 -0.55 0.00 0.09 0.00 0.00 57.88 56.66 3kxp h LEU 194 Cb 1.23 -0.15 0.13 0.00 0.09 0.00 0.00 40.66 41.96 3kxp h LEU 194 CO 0.65 0.94 0.66 0.00 0.09 0.00 0.00 178.44 180.78 3kxp n ALA 195 N -2.50 1.89 -2.66 1.53 0.00 -1.26 -4.63 120.51 112.87 3kxp n ALA 195 Ca -0.02 0.23 -0.43 0.00 0.00 0.00 0.00 53.44 53.22 3kxp n ALA 195 Cb 0.56 -2.38 -0.02 0.00 0.00 0.00 0.00 19.45 17.61 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 -0.56 7.10 0.18 0.00 0.15 -0.45 -4.95 113.70 115.17 3kxp s SER 196 Ca 0.63 1.37 -0.16 0.00 0.70 0.00 0.00 55.95 58.49 3kxp s SER 196 Cb -0.45 -2.53 0.14 0.00 -1.71 0.00 0.00 66.02 61.47 3kxp s SER 196 CO 0.56 -0.59 1.66 0.28 1.20 0.00 0.00 173.24 176.34 3kxp h SER 197 N 7.39 -0.44 -0.81 5.45 0.02 -1.92 -0.78 113.55 122.47 3kxp h SER 197 Ca -0.22 0.14 0.01 0.00 -0.84 0.00 0.00 61.79 60.88 3kxp h SER 197 Cb 1.08 0.29 -0.04 0.00 0.14 0.00 0.00 62.40 63.88 3kxp h SER 197 CO 0.94 -0.15 0.53 0.00 -1.14 0.00 0.00 176.83 177.00 3kxp h ALA 198 N 1.47 1.45 0.00 3.77 0.00 -1.97 -0.61 119.26 123.36 3kxp h ALA 198 Ca 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3kxp h ALA 198 Cb 0.35 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3kxp h ALA 198 CO -0.49 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.27 3kxp n ALA 199 N -2.41 1.56 0.00 0.00 0.00 -0.30 -2.00 120.51 117.36 3kxp n ALA 199 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3kxp n ALA 199 Cb 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 0.47 0.00 -0.14 0.00 0.00 -0.24 -0.84 120.51 119.75 3kxp n ALA 201 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 3kxp n ALA 201 Cb 0.10 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.63 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 0.91 -0.42 0.00 4.20 -1.66 -2.55 115.11 115.58 3kxp h GLN 202 Ca 0.00 -0.30 -0.12 0.00 0.06 0.00 0.00 58.65 58.29 3kxp h GLN 202 Cb 0.00 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3kxp h GLN 202 CO 0.00 0.94 -0.21 1.15 -0.67 0.00 0.00 178.83 180.04 3kxp h THR 203 N 0.82 1.27 -0.72 -0.54 2.02 -1.21 -0.85 112.91 113.70 3kxp h THR 203 Ca 0.14 -1.34 -0.01 0.00 0.77 0.00 0.00 66.41 65.97 3kxp h THR 203 Cb 0.59 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 3kxp h THR 203 CO 0.04 0.45 0.42 0.00 0.37 0.00 0.00 175.52 176.80 3kxp h ALA 204 N 1.02 0.92 -0.22 6.16 0.00 -1.78 -0.72 119.26 124.65 3kxp h ALA 204 Ca 0.10 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3kxp h ALA 204 Cb 0.74 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3kxp h ALA 204 CO 0.06 0.41 -0.14 -0.09 0.00 0.00 0.00 179.25 179.48 3kxp h ARG 205 N 0.99 0.37 0.00 0.00 2.43 -1.18 -2.72 114.38 114.27 3kxp h ARG 205 Ca 0.26 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 3kxp h ARG 205 Cb -0.01 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3kxp h ARG 205 CO -0.05 0.52 -0.28 0.78 -1.51 0.00 0.00 179.97 179.43 3kxp h GLY 206 N 0.88 0.00 2.00 2.80 0.00 -0.19 -3.15 103.07 105.41 3kxp h GLY 206 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 3kxp h GLY 206 CO 0.03 0.00 -0.00 1.41 0.00 0.00 0.00 176.54 177.97 3kxp h LEU 207 N 0.00 0.00 0.00 3.11 3.38 -0.83 -2.65 115.31 118.32 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 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3kxp h LEU 207 CO 0.04 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.11 3kxp n ARG 208 N -3.10 0.05 -1.05 1.13 1.74 -1.19 -4.89 116.66 109.35 3kxp n ARG 208 Ca -0.01 0.09 -0.32 0.00 -0.77 0.00 0.00 57.85 56.85 3kxp n ARG 208 Cb 0.21 -1.50 0.12 0.00 -1.02 0.00 0.00 32.46 30.27 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 -2.93 3.76 -0.07 0.55 1.04 -1.00 -4.92 113.70 110.13 3kxp s SER 209 Ca 0.13 2.08 -0.30 0.00 0.48 0.00 0.00 55.95 58.34 3kxp s SER 209 Cb 0.15 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.67 3kxp s SER 209 CO 0.42 -2.54 1.59 -0.62 0.98 0.00 0.00 173.24 173.07 3kxp s ASP 210 N -2.83 6.71 0.00 7.02 2.15 -1.26 -4.90 116.67 123.56 3kxp s ASP 210 Ca 0.66 2.16 0.21 0.00 0.43 0.00 0.00 52.55 56.01 3kxp s ASP 210 Cb -0.22 -2.53 0.31 0.00 -0.30 0.00 0.00 42.92 40.18 3kxp s ASP 210 CO 0.55 -0.90 1.29 -0.11 -0.17 0.00 0.00 175.17 175.82 3kxp n LEU 211 N 7.00 3.13 -0.09 -1.34 7.94 -1.26 -4.54 117.00 127.83 3kxp n LEU 211 Ca 0.17 -1.31 -0.07 0.00 -1.11 0.00 0.00 56.01 53.69 3kxp n LEU 211 Cb 0.43 -0.14 0.01 0.00 0.53 0.00 0.00 43.42 44.25 3kxp n LEU 211 CO 0.61 0.63 0.93 0.58 -1.11 0.00 0.00 177.39 179.03 3kxp h VAL 212 N 4.18 0.90 -0.78 1.96 2.07 -1.96 -2.81 116.25 119.81 3kxp h VAL 212 Ca 0.00 -0.09 0.09 0.00 0.82 0.00 0.00 66.70 67.52 3kxp h VAL 212 Cb 0.92 0.63 -0.07 0.00 -1.52 0.00 0.00 31.29 31.25 3kxp h VAL 212 CO 0.00 0.05 0.43 -0.65 0.02 0.00 0.00 177.57 177.42 3kxp h PRO 213 N 0.26 0.70 0.87 1.57 0.11 -1.98 0.59 132.00 134.12 3kxp h PRO 213 Ca 0.15 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.18 3kxp h PRO 213 Cb 0.12 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.08 3kxp h PRO 213 CO -0.16 0.47 -0.42 0.00 -0.21 0.00 0.00 178.00 177.68 3kxp h ALA 214 N 1.44 -1.29 -0.55 -0.75 0.00 -1.81 -0.07 119.26 116.23 3kxp h ALA 214 Ca 0.38 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 55.11 3kxp h ALA 214 Cb 0.36 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 3kxp h ALA 214 CO -0.25 -1.21 0.37 1.88 0.00 0.00 0.00 179.25 180.04 3kxp h TYR 215 N -1.18 0.46 -0.12 0.00 -1.99 -1.38 -0.63 116.97 112.12 3kxp h TYR 215 Ca -0.12 0.01 -0.18 0.00 2.00 0.00 0.00 58.73 60.44 3kxp h TYR 215 Cb 0.89 -0.15 -0.00 0.00 2.00 0.00 0.00 36.73 39.47 3kxp h TYR 215 CO 0.03 0.24 -0.67 -0.09 -0.00 0.00 0.00 178.16 177.66 3kxp h ARG 216 N 0.45 0.50 0.00 4.88 2.43 -0.72 -3.34 114.38 118.59 3kxp h ARG 216 Ca 0.25 -0.38 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3kxp h ARG 216 Cb 0.39 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3kxp h ARG 216 CO -0.07 1.00 -1.34 -0.25 -1.51 0.00 0.00 179.97 177.80 3kxp n ASP 217 N -3.89 0.49 -4.68 -3.80 8.00 -0.05 -4.95 116.55 107.67 3kxp n ASP 217 Ca -0.04 -0.14 -0.50 0.00 0.71 0.00 0.00 54.79 54.83 3kxp n ASP 217 Cb 0.68 1.15 -0.05 0.00 -0.02 0.00 0.00 41.12 42.88 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 -2.13 0.36 1.00 2.53 0.31 -0.29 -4.86 118.33 115.25 3kxp n VAL 218 Ca -0.00 -0.06 0.10 0.00 -0.01 0.00 0.00 64.34 64.37 3kxp n VAL 218 Cb 0.49 -1.61 -0.08 0.00 -0.91 0.00 0.00 33.84 31.73 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 4.46 0.00 -3.84 2.52 -2.24 -1.26 -4.96 114.28 108.96 3kxp n THR 219 Ca 0.22 -0.10 -0.23 0.00 -2.27 0.00 0.00 64.05 61.67 3kxp n THR 219 Cb 0.26 1.10 -0.02 0.00 -2.10 0.00 0.00 70.33 69.57 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 -2.80 3.45 0.18 -0.78 -0.14 -1.26 -5.05 119.74 113.35 3kxp s LYS 220 Ca 0.12 -0.63 -0.33 0.00 -1.36 0.00 0.00 55.97 53.77 3kxp s LYS 220 Cb 0.17 -2.85 -0.14 0.00 -1.68 0.00 0.00 37.83 33.33 3kxp s LYS 220 CO 0.75 0.38 1.54 -2.30 -0.76 0.00 0.00 175.35 174.97 3kxp n PRO 221 N -1.33 2.11 -4.12 -1.68 -0.02 -1.26 -4.86 135.00 123.84 3kxp n PRO 221 Ca -0.08 0.76 -0.22 0.00 -2.02 0.00 0.00 63.50 61.95 3kxp n PRO 221 Cb 0.56 -2.50 -0.17 0.00 -0.02 0.00 0.00 33.50 31.37 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 0.69 0.64 -0.27 -1.45 1.01 -1.26 -0.31 120.40 119.46 3kxp s VAL 222 Ca 0.77 -0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.52 3kxp s VAL 222 Cb -0.68 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 3kxp s VAL 222 CO 0.41 0.26 0.11 -0.22 0.00 0.00 0.00 175.10 175.66 3kxp s LEU 223 N 1.16 3.67 -0.13 3.92 2.96 0.52 -3.91 118.68 126.86 3kxp s LEU 223 Ca -0.07 -0.21 -0.18 0.00 -0.22 0.00 0.00 54.13 53.45 3kxp s LEU 223 Cb -0.14 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 3kxp s LEU 223 CO -0.01 -0.06 0.49 -0.63 -1.32 0.00 0.00 176.35 174.81 3kxp s ILE 224 N 1.65 5.18 -0.03 6.68 1.01 -0.54 -0.67 121.20 134.47 3kxp s ILE 224 Ca 0.06 0.96 0.04 0.00 0.00 0.00 0.00 60.65 61.72 3kxp s ILE 224 Cb -0.16 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.48 3kxp s ILE 224 CO 0.06 0.30 -0.16 -0.69 0.00 0.00 0.00 174.94 174.45 3kxp s VAL 225 N 0.76 1.31 0.01 2.92 1.01 -0.75 -0.39 120.40 125.27 3kxp s VAL 225 Ca 0.26 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.58 3kxp s VAL 225 Cb -0.15 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 3kxp s VAL 225 CO 0.10 0.38 -0.04 -0.60 0.00 0.00 0.00 175.10 174.94 3kxp s ARG 226 N -0.11 0.30 0.17 2.72 3.52 -0.42 0.22 118.95 125.35 3kxp s ARG 226 Ca 0.00 -0.24 -0.30 0.00 -0.13 0.00 0.00 55.73 55.06 3kxp s ARG 226 Cb -0.09 -0.23 -0.07 0.00 -1.56 0.00 0.00 34.95 32.99 3kxp s ARG 226 CO 0.01 0.06 1.10 0.20 -0.81 0.00 0.00 175.30 175.86 3kxp s GLY 227 N -0.38 2.83 0.26 8.12 0.00 -1.25 -0.50 107.32 116.40 3kxp s GLY 227 Ca -0.02 0.81 -0.02 0.00 0.00 0.00 0.00 44.72 45.50 3kxp s GLY 227 CO -0.00 1.67 1.75 -2.09 0.00 0.00 0.00 173.10 174.42 3kxp h GLU 228 N 5.20 0.53 -0.49 2.90 4.81 0.12 -1.69 114.58 125.96 3kxp h GLU 228 Ca -0.44 -0.03 -0.21 0.00 -0.13 0.00 0.00 59.36 58.54 3kxp h GLU 228 Cb 1.21 -0.12 -0.13 0.00 0.63 0.00 0.00 28.75 30.35 3kxp h GLU 228 CO 0.73 0.35 0.11 -1.13 -0.73 0.00 0.00 179.01 178.33 3kxp n SER 229 N -4.93 3.21 -4.75 1.04 3.41 -0.41 -4.96 113.62 106.24 3kxp n SER 229 Ca 0.17 -3.55 -0.41 0.00 -0.26 0.00 0.00 58.87 54.81 3kxp n SER 229 Cb 0.45 -0.67 -0.02 0.00 -0.26 0.00 0.00 64.21 63.71 3kxp n SER 229 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3kxp s SER 230 N -2.05 6.43 0.00 4.04 0.15 -0.64 -4.60 113.70 117.04 3kxp s SER 230 Ca 0.48 2.88 0.22 0.00 0.70 0.00 0.00 55.95 60.23 3kxp s SER 230 Cb 0.41 -2.63 0.30 0.00 -1.71 0.00 0.00 66.02 62.39 3kxp s SER 230 CO 0.05 -0.88 1.30 0.29 1.20 0.00 0.00 173.24 175.20 3kxp n LYS 231 N 2.34 2.29 -0.13 5.44 5.02 -1.26 -4.32 118.16 127.55 3kxp n LYS 231 Ca 0.08 -2.05 -0.27 0.00 -2.02 0.00 0.00 58.31 54.05 3kxp n LYS 231 Cb 0.38 -1.46 -0.10 0.00 -0.02 0.00 0.00 35.03 33.82 3kxp n LYS 231 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3kxp n LEU 232 N 1.34 1.93 -4.25 -0.35 -0.00 -1.26 -4.78 117.00 109.64 3kxp n LEU 232 Ca 0.16 0.36 -0.41 0.00 -0.00 0.00 0.00 56.01 56.12 3kxp n LEU 232 Cb 0.57 -0.86 -0.09 0.00 -0.00 0.00 0.00 43.42 43.04 3kxp n LEU 232 CO 0.15 0.48 -0.04 -0.69 -0.00 0.00 0.00 177.39 177.28 3kxp s VAL 233 N -2.47 4.31 0.62 1.96 1.01 -1.26 -4.73 120.40 119.83 3kxp s VAL 233 Ca -0.36 -1.60 -0.15 0.00 0.00 0.00 0.00 61.98 59.88 3kxp s VAL 233 Cb 0.12 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 3kxp s VAL 233 CO 0.52 -0.67 1.06 -0.94 0.00 0.00 0.00 175.10 175.07 3kxp s SER 234 N 2.51 5.68 0.32 3.32 1.04 -1.26 -4.63 113.70 120.67 3kxp s SER 234 Ca 0.04 1.79 0.04 0.00 0.48 0.00 0.00 55.95 58.30 3kxp s SER 234 Cb -0.25 -2.53 0.65 0.00 0.10 0.00 0.00 66.02 63.99 3kxp s SER 234 CO 0.01 -1.24 1.88 0.00 0.98 0.00 0.00 173.24 174.87 3kxp h ALA 235 N 0.21 1.63 -0.51 5.32 0.00 -1.93 0.15 119.26 124.13 3kxp h ALA 235 Ca -0.46 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 3kxp h ALA 235 Cb 1.22 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3kxp h ALA 235 CO 0.57 0.17 0.25 0.00 0.00 0.00 0.00 179.25 180.24 3kxp h ALA 236 N 1.55 0.66 -0.35 0.00 0.00 -1.99 0.30 119.26 119.44 3kxp h ALA 236 Ca 0.43 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.26 3kxp h ALA 236 Cb 0.45 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3kxp h ALA 236 CO -0.20 0.22 0.12 0.00 0.00 0.00 0.00 179.25 179.40 3kxp h ALA 237 N 1.09 0.40 -0.44 0.00 0.00 -1.08 -1.25 119.26 117.98 3kxp h ALA 237 Ca 0.18 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 3kxp h ALA 237 Cb 0.11 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3kxp h ALA 237 CO -0.02 -0.27 0.12 1.25 0.00 0.00 0.00 179.25 180.33 3kxp h LEU 238 N 0.27 0.66 -0.44 0.00 5.85 -0.67 -2.10 115.31 118.87 3kxp h LEU 238 Ca 0.16 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.69 3kxp h LEU 238 Cb 0.13 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 3kxp h LEU 238 CO -0.16 0.71 0.22 0.00 -0.34 0.00 0.00 178.44 178.87 3kxp h ALA 239 N 0.98 0.56 -0.69 1.25 0.00 -0.56 -0.89 119.26 119.91 3kxp h ALA 239 Ca 0.14 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3kxp h ALA 239 Cb 0.29 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3kxp h ALA 239 CO -0.00 -0.13 0.43 0.87 0.00 0.00 0.00 179.25 180.41 3kxp h LYS 240 N 0.44 0.93 -0.81 0.00 1.57 -1.12 -2.32 116.57 115.26 3kxp h LYS 240 Ca 0.19 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3kxp h LYS 240 Cb 0.10 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 3kxp h LYS 240 CO -0.14 0.65 0.54 1.15 -0.57 0.00 0.00 179.45 181.08 3kxp h THR 241 N 0.94 1.21 0.00 -0.16 2.02 -0.73 -1.58 112.91 114.60 3kxp h THR 241 Ca 0.25 -0.38 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 3kxp h THR 241 Cb -0.05 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.37 3kxp h THR 241 CO -0.05 0.20 -0.19 0.28 0.37 0.00 0.00 175.52 176.13 3kxp h SER 242 N 1.10 0.00 -0.10 4.18 0.02 -0.78 -0.41 113.55 117.56 3kxp h SER 242 Ca 0.30 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 61.03 3kxp h SER 242 Cb -0.13 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.42 3kxp h SER 242 CO -0.07 0.19 -0.75 0.03 -1.14 0.00 0.00 176.83 175.10 3kxp h ARG 243 N 0.00 0.74 -0.43 3.45 3.08 -0.78 0.15 114.38 120.59 3kxp h ARG 243 Ca -0.00 -0.59 -0.06 0.00 0.07 0.00 0.00 59.98 59.40 3kxp h ARG 243 Cb 0.46 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 3kxp h ARG 243 CO 0.03 1.20 0.04 1.25 -1.07 0.00 0.00 179.97 181.42 3kxp h LEU 244 N 0.51 0.72 -6.56 3.04 7.12 -0.78 -3.37 115.31 115.99 3kxp h LEU 244 Ca -0.04 -0.28 -0.60 0.00 0.13 0.00 0.00 57.88 57.09 3kxp h LEU 244 Cb 1.36 -0.19 -0.39 0.00 -0.53 0.00 0.00 40.66 40.91 3kxp h LEU 244 CO 0.15 0.82 -0.87 -0.13 -0.13 0.00 0.00 178.44 178.28 3kxp s ARG 245 N -5.11 1.24 0.03 1.25 1.81 -0.22 -4.96 118.95 112.99 3kxp s ARG 245 Ca -0.13 -2.34 0.17 0.00 -1.72 0.00 0.00 55.73 51.72 3kxp s ARG 245 Cb 0.11 -1.88 0.73 0.00 -0.45 0.00 0.00 34.95 33.45 3kxp s ARG 245 CO 0.79 -1.35 1.55 -0.35 -0.68 0.00 0.00 175.30 175.27 3kxp n PRO 246 N 2.74 0.02 0.18 3.54 -0.04 0.53 -2.67 135.00 139.31 3kxp n PRO 246 Ca 0.26 0.23 0.11 0.00 -0.04 0.00 0.00 63.50 64.06 3kxp n PRO 246 Cb 0.44 -1.54 0.12 0.00 -0.04 0.00 0.00 33.50 32.48 3kxp n PRO 246 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 3kxp h ASP 247 N 0.00 0.00 -2.97 3.54 3.04 -1.93 -3.45 116.42 114.66 3kxp h ASP 247 Ca 0.00 0.00 -0.56 0.00 -3.24 0.00 0.00 57.03 53.23 3kxp h ASP 247 Cb 0.30 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.56 3kxp h ASP 247 CO 0.00 0.06 0.83 -0.76 -2.04 0.00 0.00 179.24 177.33 3kxp s LEU 248 N -6.04 4.22 0.50 0.15 1.43 -1.09 -4.99 118.68 112.86 3kxp s LEU 248 Ca 0.05 1.76 -0.23 0.00 -1.03 0.00 0.00 54.13 54.67 3kxp s LEU 248 Cb 0.06 -3.55 -0.07 0.00 0.03 0.00 0.00 46.19 42.67 3kxp s LEU 248 CO 0.71 -0.70 1.36 -0.81 0.23 0.00 0.00 176.35 177.14 3kxp n PRO 249 N 6.09 1.90 -4.39 1.29 -0.04 -1.25 -4.85 135.00 133.76 3kxp n PRO 249 Ca 0.13 0.69 -0.20 0.00 -0.04 0.00 0.00 63.50 64.08 3kxp n PRO 249 Cb 0.45 -2.56 -0.14 0.00 -0.04 0.00 0.00 33.50 31.21 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 -1.25 0.98 -0.06 0.52 1.01 -1.26 -1.47 120.40 118.87 3kxp s VAL 250 Ca 0.67 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.86 3kxp s VAL 250 Cb -0.44 -0.87 0.03 0.00 0.00 0.00 0.00 36.38 35.10 3kxp s VAL 250 CO 0.53 0.08 -0.02 -0.69 0.00 0.00 0.00 175.10 175.00 3kxp s VAL 251 N -0.64 0.43 -0.23 2.92 1.01 0.47 -4.97 120.40 119.39 3kxp s VAL 251 Ca 0.02 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 3kxp s VAL 251 Cb -0.07 -0.52 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 3kxp s VAL 251 CO 0.00 0.24 -0.01 -0.69 0.00 0.00 0.00 175.10 174.64 3kxp s VAL 252 N 1.46 3.68 -0.28 2.92 1.01 -1.26 -1.30 120.40 126.63 3kxp s VAL 252 Ca -0.03 -0.39 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 3kxp s VAL 252 Cb -0.13 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 3kxp s VAL 252 CO -0.03 0.40 0.60 -0.69 0.00 0.00 0.00 175.10 175.38 3kxp s VAL 253 N 1.49 4.99 0.20 2.92 1.01 0.35 -4.85 120.40 126.50 3kxp s VAL 253 Ca 0.06 0.95 -0.30 0.00 0.00 0.00 0.00 61.98 62.69 3kxp s VAL 253 Cb -0.14 -3.93 -0.08 0.00 0.00 0.00 0.00 36.38 32.22 3kxp s VAL 253 CO -0.01 -0.03 1.17 -2.84 0.00 0.00 0.00 175.10 173.40 3kxp s PRO 254 N 2.49 4.52 0.00 2.72 0.02 -1.26 0.12 135.00 143.61 3kxp s PRO 254 Ca 0.24 1.85 0.00 0.00 0.02 0.00 0.00 61.00 63.11 3kxp s PRO 254 Cb -0.15 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.13 3kxp s PRO 254 CO 0.10 -0.02 0.00 0.41 -0.33 0.00 0.00 177.00 177.16 3kxp n GLY 255 N 1.98 0.84 3.46 0.52 0.00 -1.26 -4.92 105.19 105.81 3kxp n GLY 255 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.30 2.61 0.00 4.61 0.00 -1.20 -4.91 121.76 119.57 3kxp s ALA 256 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.81 3kxp s ALA 256 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.34 3kxp s ALA 256 CO 0.00 0.57 0.00 -0.40 0.00 0.00 0.00 175.76 175.93 3kxp n ASP 257 N 1.68 0.00 -0.27 0.00 3.85 -1.26 -1.14 116.55 119.40 3kxp n ASP 257 Ca -0.16 0.00 0.10 0.00 -0.71 0.00 0.00 54.79 54.02 3kxp n ASP 257 Cb 0.52 0.00 0.35 0.00 -1.35 0.00 0.00 41.12 40.64 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 0.87 -0.60 2.11 -0.00 -1.88 -3.23 115.15 112.41 3kxp h HIS 258 Ca 0.00 0.02 -0.71 0.00 -0.00 0.00 0.00 60.37 59.68 3kxp h HIS 258 Cb 0.00 -0.28 -0.06 0.00 -0.00 0.00 0.00 27.41 27.07 3kxp h HIS 258 CO 0.00 0.35 2.98 0.66 -0.00 0.00 0.00 177.93 181.92 3kxp n TYR 259 N -4.55 2.74 0.25 5.26 4.01 -1.26 -4.81 117.16 118.79 3kxp n TYR 259 Ca 0.16 -2.94 -0.18 0.00 -0.16 0.00 0.00 57.90 54.79 3kxp n TYR 259 Cb 0.41 -2.20 -0.10 0.00 -0.31 0.00 0.00 39.34 37.14 3kxp n TYR 259 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3kxp h VAL 260 N 3.15 0.00 -0.58 -0.72 2.07 -1.93 -0.18 116.25 118.06 3kxp h VAL 260 Ca 0.69 0.00 0.12 0.00 0.82 0.00 0.00 66.70 68.34 3kxp h VAL 260 Cb 0.40 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 3kxp h VAL 260 CO 1.68 0.00 0.40 -0.55 0.02 0.00 0.00 177.57 179.12 3kxp h ASN 261 N -0.95 0.23 0.40 0.57 7.08 -1.87 -0.09 115.58 120.95 3kxp h ASN 261 Ca -0.05 0.01 -0.31 0.00 -3.08 0.00 0.00 56.30 52.86 3kxp h ASN 261 Cb 0.85 -0.04 -0.01 0.00 -2.08 0.00 0.00 38.32 37.04 3kxp h ASN 261 CO -0.12 0.13 -1.64 -0.33 -2.08 0.00 0.00 177.43 173.39 3kxp h GLU 262 N 0.25 0.22 0.13 4.14 5.08 -1.91 -3.24 114.58 119.24 3kxp h GLU 262 Ca 0.27 -0.38 -0.29 0.00 -1.00 0.00 0.00 59.36 57.97 3kxp h GLU 262 Cb 0.74 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.14 3kxp h GLU 262 CO -0.06 1.05 -1.38 0.28 -1.00 0.00 0.00 179.01 177.90 3kxp h VAL 263 N 0.06 1.33 -2.18 3.13 2.07 -0.73 -3.39 116.25 116.54 3kxp h VAL 263 Ca -0.28 -2.93 -0.56 0.00 0.82 0.00 0.00 66.70 63.75 3kxp h VAL 263 Cb 2.02 2.86 -0.41 0.00 -1.52 0.00 0.00 31.29 34.24 3kxp h VAL 263 CO 0.14 0.85 -0.81 -1.20 0.02 0.00 0.00 177.57 176.57 3kxp n SER 264 N -3.50 3.09 -0.19 0.57 7.64 -0.07 -4.96 113.62 116.20 3kxp n SER 264 Ca -0.12 -3.39 0.00 0.00 1.01 0.00 0.00 58.87 56.37 3kxp n SER 264 Cb 1.04 -0.60 0.10 0.00 -1.01 0.00 0.00 64.21 63.74 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 3.28 0.19 -0.31 1.43 0.13 -1.72 -2.03 132.00 132.97 3kxp h PRO 265 Ca 0.13 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3kxp h PRO 265 Cb 0.68 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 3kxp h PRO 265 CO 0.71 0.12 0.17 0.93 -0.23 0.00 0.00 178.00 179.71 3kxp h GLU 266 N 0.19 0.42 -0.33 0.86 4.39 -1.92 -1.10 114.58 117.09 3kxp h GLU 266 Ca 0.31 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.84 3kxp h GLU 266 Cb 0.48 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 3kxp h GLU 266 CO -0.44 0.35 -0.29 0.82 -1.16 0.00 0.00 179.01 178.29 3kxp h ILE 267 N 0.38 1.28 0.15 3.13 2.04 -1.94 -2.50 117.51 120.06 3kxp h ILE 267 Ca 0.11 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.55 3kxp h ILE 267 Cb 0.04 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3kxp h ILE 267 CO -0.02 0.46 -0.07 0.74 0.00 0.00 0.00 178.15 179.26 3kxp h THR 268 N 0.58 0.86 -0.47 -0.27 2.02 -1.12 0.10 112.91 114.62 3kxp h THR 268 Ca 0.07 -0.02 0.05 0.00 0.77 0.00 0.00 66.41 67.28 3kxp h THR 268 Cb 0.79 0.87 -0.05 0.00 -1.74 0.00 0.00 68.15 68.02 3kxp h THR 268 CO 0.06 0.00 0.20 0.25 0.37 0.00 0.00 175.52 176.41 3kxp h LEU 269 N -0.21 0.25 -0.90 2.58 5.85 -1.17 -1.50 115.31 120.22 3kxp h LEU 269 Ca -0.02 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 3kxp h LEU 269 Cb 0.16 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3kxp h LEU 269 CO 0.03 0.18 0.13 0.50 -0.34 0.00 0.00 178.44 178.94 3kxp h LYS 270 N 0.39 0.94 -0.55 1.25 3.11 -1.21 -1.77 116.57 118.74 3kxp h LYS 270 Ca 0.21 -0.21 -0.07 0.00 -2.81 0.00 0.00 60.65 57.77 3kxp h LYS 270 Cb 0.17 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.25 3kxp h LYS 270 CO -0.19 0.85 0.07 0.00 -2.81 0.00 0.00 179.45 177.38 3kxp h ALA 271 N 1.24 1.09 -0.49 5.00 0.00 -0.28 -1.39 119.26 124.42 3kxp h ALA 271 Ca 0.19 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3kxp h ALA 271 Cb 0.35 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3kxp h ALA 271 CO 0.00 0.59 -0.12 0.82 0.00 0.00 0.00 179.25 180.54 3kxp h ILE 272 N 0.84 1.27 0.00 0.00 2.04 -0.83 -2.52 117.51 118.31 3kxp h ILE 272 Ca 0.17 -1.26 -0.11 0.00 1.00 0.00 0.00 64.86 64.66 3kxp h ILE 272 Cb 0.40 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3kxp h ILE 272 CO 0.01 0.44 -0.52 0.71 0.00 0.00 0.00 178.15 178.79 3kxp h THR 273 N 0.81 1.09 0.00 -0.27 1.35 -1.16 -1.44 112.91 113.29 3kxp h THR 273 Ca 0.13 -1.98 -0.04 0.00 -0.55 0.00 0.00 66.41 63.96 3kxp h THR 273 Cb 0.68 2.17 -0.01 0.00 -1.73 0.00 0.00 68.15 69.26 3kxp h THR 273 CO 0.05 0.51 -0.19 0.78 -0.25 0.00 0.00 175.52 176.42 3kxp h ASN 274 N 0.00 0.00 0.00 5.36 2.35 -1.12 -1.84 115.58 120.34 3kxp h ASN 274 Ca -0.01 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 3kxp h ASN 274 Cb 1.12 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.49 3kxp h ASN 274 CO 0.07 0.19 -0.32 0.15 -1.65 0.00 0.00 177.43 175.86 3kxp h PHE 275 N 0.00 0.00 0.00 1.19 -0.00 -1.12 -3.35 116.94 113.66 3kxp h PHE 275 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 57.93 3kxp h PHE 275 Cb 0.71 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.65 3kxp h PHE 275 CO 0.00 0.22 -0.20 -0.84 -0.00 0.00 0.00 178.31 177.49 3kxp h ILE 276 N -1.00 0.39 -0.32 1.41 3.07 -1.35 -3.22 117.51 116.49 3kxp h ILE 276 Ca -0.03 -1.29 0.00 0.00 1.55 0.00 0.00 64.86 65.08 3kxp h ILE 276 Cb 0.41 1.98 0.00 0.00 -0.27 0.00 0.00 36.82 38.94 3kxp h ILE 276 CO -0.02 0.20 0.00 0.47 -1.05 0.00 0.00 178.15 177.75 3kxp n ASP 277 N -3.21 3.39 0.00 2.16 8.00 -0.69 -5.08 116.55 121.11 3kxp n ASP 277 Ca 0.02 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.52 3kxp n ASP 277 Cb 0.53 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 3kxp n ASP 277 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81