#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 3.31 -0.26 4.41 0.40 -1.26 -4.84 117.98 119.74 3kxp s PHE 12 Ca 0.00 0.31 -0.09 0.00 -0.60 0.00 0.00 56.93 56.55 3kxp s PHE 12 Cb 0.00 -1.84 -0.04 0.00 0.51 0.00 0.00 43.02 41.65 3kxp s PHE 12 CO 0.00 0.56 0.12 0.96 0.70 0.00 0.00 175.22 177.57 3kxp s ILE 13 N -0.94 4.83 0.09 0.64 -4.36 -0.97 -4.89 121.20 115.59 3kxp s ILE 13 Ca 0.14 0.00 -0.11 0.00 -0.26 0.00 0.00 60.65 60.43 3kxp s ILE 13 Cb -0.12 -3.27 -0.06 0.00 1.25 0.00 0.00 42.46 40.27 3kxp s ILE 13 CO 0.03 0.31 0.43 -0.44 0.24 0.00 0.00 174.94 175.52 3kxp s SER 14 N 1.53 6.68 -0.28 4.36 0.01 -1.26 -1.72 113.70 123.02 3kxp s SER 14 Ca 0.06 0.85 -0.23 0.00 1.31 0.00 0.00 55.95 57.94 3kxp s SER 14 Cb -0.15 -2.20 0.11 0.00 0.21 0.00 0.00 66.02 63.99 3kxp s SER 14 CO 0.06 0.16 0.93 0.00 0.41 0.00 0.00 173.24 174.80 3kxp s ARG 15 N -1.92 0.58 -0.13 12.44 1.70 -0.67 -4.98 118.95 125.97 3kxp s ARG 15 Ca 0.34 0.75 -0.28 0.00 -0.47 0.00 0.00 55.73 56.07 3kxp s ARG 15 Cb -0.14 0.25 -0.01 0.00 -0.57 0.00 0.00 34.95 34.48 3kxp s ARG 15 CO 0.18 -0.08 0.93 1.03 -1.08 0.00 0.00 175.30 176.29 3kxp s ARG 16 N 0.52 4.37 -0.16 3.89 0.52 -1.26 -1.77 118.95 125.06 3kxp s ARG 16 Ca -0.00 1.24 -0.05 0.00 -0.52 0.00 0.00 55.73 56.39 3kxp s ARG 16 Cb -0.05 -3.55 -0.03 0.00 0.52 0.00 0.00 34.95 31.83 3kxp s ARG 16 CO -0.07 -0.32 0.01 0.08 0.02 0.00 0.00 175.30 175.02 3kxp s VAL 17 N 2.06 4.31 -0.43 3.52 1.01 0.27 -4.89 120.40 126.25 3kxp s VAL 17 Ca 0.44 -0.21 -0.20 0.00 0.00 0.00 0.00 61.98 62.02 3kxp s VAL 17 Cb -0.17 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.32 3kxp s VAL 17 CO 0.15 0.48 0.58 -0.62 0.00 0.00 0.00 175.10 175.70 3kxp s ASP 18 N 0.32 6.29 -0.24 3.32 3.68 -1.26 -0.04 116.67 128.73 3kxp s ASP 18 Ca -0.00 -0.42 0.12 0.00 2.13 0.00 0.00 52.55 54.37 3kxp s ASP 18 Cb -0.13 -2.29 0.75 0.00 -1.45 0.00 0.00 42.92 39.80 3kxp s ASP 18 CO 0.02 -0.71 1.69 2.30 0.13 0.00 0.00 175.17 178.59 3kxp n ILE 19 N 5.72 2.63 0.00 4.11 -5.35 0.23 -4.97 119.36 121.74 3kxp n ILE 19 Ca -0.03 -1.35 0.00 0.00 -0.27 0.00 0.00 62.75 61.09 3kxp n ILE 19 Cb 0.48 -0.32 0.00 0.00 -1.74 0.00 0.00 39.64 38.06 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 0.42 2.08 0.07 3.28 0.00 -1.26 -4.52 105.19 105.25 3kxp n GLY 20 Ca 0.29 -0.29 0.08 0.00 0.00 0.00 0.00 46.02 46.11 3kxp n GLY 20 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kxp n ARG 21 N 0.00 0.09 0.00 1.61 1.85 -1.26 -4.86 116.66 114.08 3kxp n ARG 21 Ca 0.00 0.40 0.00 0.00 -1.00 0.00 0.00 57.85 57.25 3kxp n ARG 21 Cb 0.00 -1.69 0.00 0.00 -1.05 0.00 0.00 32.46 29.72 3kxp n ARG 21 CO 0.00 0.00 0.00 1.51 -0.01 0.00 0.00 177.63 179.13 3kxp n ILE 22 N -1.86 0.00 -5.19 8.89 3.06 -1.26 -5.15 119.36 117.84 3kxp n ILE 22 Ca 0.02 0.00 -0.31 0.00 -2.50 0.00 0.00 62.75 59.96 3kxp n ILE 22 Cb 0.14 0.00 -0.16 0.00 0.54 0.00 0.00 39.64 40.16 3kxp n ILE 22 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3kxp s THR 23 N -2.00 1.95 0.09 9.51 -4.23 -1.26 -0.60 115.64 119.11 3kxp s THR 23 Ca 0.00 -1.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.59 3kxp s THR 23 Cb 0.00 -1.65 -0.03 0.00 1.34 0.00 0.00 72.50 72.15 3kxp s THR 23 CO 0.00 0.54 -0.23 -0.76 -0.54 0.00 0.00 174.62 173.64 3kxp s LEU 24 N -0.09 2.27 -0.02 4.79 1.43 0.94 -2.09 118.68 125.90 3kxp s LEU 24 Ca -0.05 -0.67 -0.18 0.00 -1.03 0.00 0.00 54.13 52.21 3kxp s LEU 24 Cb -0.14 -1.01 -0.05 0.00 0.03 0.00 0.00 46.19 45.02 3kxp s LEU 24 CO 0.04 0.12 0.49 0.21 0.23 0.00 0.00 176.35 177.44 3kxp s ASN 25 N -1.77 6.85 0.12 2.29 2.47 -1.26 0.94 114.94 124.58 3kxp s ASN 25 Ca 0.09 1.01 0.03 0.00 0.42 0.00 0.00 52.86 54.40 3kxp s ASN 25 Cb -0.10 -2.30 -0.04 0.00 -1.45 0.00 0.00 41.25 37.36 3kxp s ASN 25 CO 0.04 0.17 -0.08 0.68 -3.72 0.00 0.00 177.10 174.19 3kxp s VAL 26 N -0.39 0.90 -0.20 -5.21 -7.23 -0.73 -1.43 120.40 106.12 3kxp s VAL 26 Ca 0.27 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.48 3kxp s VAL 26 Cb -0.17 -1.74 0.03 0.00 0.56 0.00 0.00 36.38 35.06 3kxp s VAL 26 CO 0.14 -0.81 -0.17 -0.13 -0.31 0.00 0.00 175.10 173.82 3kxp s ARG 27 N -3.75 2.74 0.22 4.82 0.52 -0.41 -1.68 118.95 121.41 3kxp s ARG 27 Ca 0.14 -0.94 0.09 0.00 -0.52 0.00 0.00 55.73 54.50 3kxp s ARG 27 Cb 0.04 -2.61 -0.04 0.00 0.52 0.00 0.00 34.95 32.85 3kxp s ARG 27 CO -0.02 -0.31 -0.07 -2.00 0.02 0.00 0.00 175.30 172.92 3kxp s GLU 28 N 1.26 2.12 -0.24 3.54 2.12 -0.70 -0.99 118.70 125.81 3kxp s GLU 28 Ca 0.01 -1.35 -0.30 0.00 0.36 0.00 0.00 54.97 53.69 3kxp s GLU 28 Cb -0.15 -2.13 0.17 0.00 0.26 0.00 0.00 34.13 32.27 3kxp s GLU 28 CO -0.11 0.40 1.24 0.21 -0.54 0.00 0.00 175.26 176.46 3kxp s LYS 29 N -3.16 0.24 0.28 4.30 2.20 -0.83 -2.30 119.74 120.46 3kxp s LYS 29 Ca 0.27 0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.92 3kxp s LYS 29 Cb -0.08 0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.36 3kxp s LYS 29 CO 0.17 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 175.49 3kxp n GLY 30 N 0.50 -2.21 3.18 5.54 0.00 -1.26 -1.16 105.19 109.78 3kxp n GLY 30 Ca -0.03 -1.50 -0.08 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.67 0.20 0.00 1.61 1.04 -1.22 -4.62 113.70 108.04 3kxp s SER 31 Ca 0.00 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.71 3kxp s SER 31 Cb 0.00 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.43 3kxp s SER 31 CO 0.00 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.13 3kxp n GLY 32 N -0.02 0.30 3.55 7.32 0.00 -1.26 -2.99 105.19 112.08 3kxp n GLY 32 Ca -0.15 -2.30 -0.44 0.00 0.00 0.00 0.00 46.02 43.12 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 -0.45 1.08 -0.84 1.61 -0.02 -1.26 -3.17 135.00 131.96 3kxp n PRO 33 Ca 0.00 0.38 -0.27 0.00 -2.02 0.00 0.00 63.50 61.59 3kxp n PRO 33 Cb 0.00 -1.71 0.23 0.00 -0.02 0.00 0.00 33.50 32.00 3kxp n PRO 33 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3kxp n LEU 34 N 1.26 0.00 -3.64 2.45 7.94 -1.26 -1.43 117.00 122.32 3kxp n LEU 34 Ca 0.11 -1.01 -0.06 0.00 -1.11 0.00 0.00 56.01 53.93 3kxp n LEU 34 Cb 0.33 -0.91 -0.07 0.00 0.53 0.00 0.00 43.42 43.30 3kxp n LEU 34 CO 0.59 -2.15 0.78 -0.76 -1.11 0.00 0.00 177.39 174.73 3kxp s LEU 36 N 0.00 -0.41 -0.11 -1.96 1.43 -0.55 -1.91 118.68 115.16 3kxp s LEU 36 Ca 0.64 0.75 0.01 0.00 -1.03 0.00 0.00 54.13 54.49 3kxp s LEU 36 Cb -0.07 1.73 -0.02 0.00 0.03 0.00 0.00 46.19 47.87 3kxp s LEU 36 CO 0.49 -0.13 -0.13 -0.36 0.23 0.00 0.00 176.35 176.46 3kxp s PHE 37 N 0.55 2.80 -0.11 0.29 0.40 0.11 -0.88 117.98 121.15 3kxp s PHE 37 Ca -0.00 -0.48 0.03 0.00 -0.60 0.00 0.00 56.93 55.88 3kxp s PHE 37 Cb -0.05 -1.79 0.01 0.00 0.51 0.00 0.00 43.02 41.70 3kxp s PHE 37 CO -0.10 -0.08 -0.21 -0.06 0.70 0.00 0.00 175.22 175.47 3kxp s PHE 38 N 0.03 2.39 0.95 0.36 0.40 -0.02 -1.45 117.98 120.63 3kxp s PHE 38 Ca -0.04 -1.06 -0.15 0.00 -0.60 0.00 0.00 56.93 55.09 3kxp s PHE 38 Cb -0.14 -1.63 0.17 0.00 0.51 0.00 0.00 43.02 41.93 3kxp s PHE 38 CO 0.04 -0.46 1.23 -3.38 0.70 0.00 0.00 175.22 173.35 3kxp s HIS 39 N 0.59 1.95 0.67 0.36 -3.43 -1.26 -1.64 115.29 112.52 3kxp s HIS 39 Ca -0.14 0.53 -0.03 0.00 -0.80 0.00 0.00 55.06 54.63 3kxp s HIS 39 Cb -0.17 -3.77 0.08 0.00 -1.43 0.00 0.00 32.58 27.30 3kxp s HIS 39 CO 0.04 -2.54 0.94 0.20 -2.00 0.00 0.00 174.74 171.38 3kxp s GLY 40 N -4.55 1.76 0.31 -1.38 0.00 -1.22 -2.12 107.32 100.13 3kxp s GLY 40 Ca 0.69 -1.32 -0.29 0.00 0.00 0.00 0.00 44.72 43.80 3kxp s GLY 40 CO 0.52 -0.89 1.49 4.51 0.00 0.00 0.00 173.10 178.74 3kxp n ILE 41 N -2.74 1.41 -0.90 0.90 3.06 -1.26 -2.06 119.36 117.77 3kxp n ILE 41 Ca 0.10 -0.35 0.00 0.00 -2.50 0.00 0.00 62.75 60.00 3kxp n ILE 41 Cb 0.60 -1.83 0.00 0.00 0.54 0.00 0.00 39.64 38.95 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 1.39 0.00 -2.92 9.51 -2.24 -1.26 -4.98 114.28 113.79 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 0.36 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 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 -0.29 0.46 -3.89 3.42 2.88 -0.87 -4.90 113.62 110.43 3kxp n SER 43 Ca 0.00 -0.68 -0.08 0.00 -1.33 0.00 0.00 58.87 56.78 3kxp n SER 43 Cb 0.15 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.57 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 -0.85 -0.17 0.57 -3.46 2.20 -1.26 -4.42 114.94 107.54 3kxp s ASN 44 Ca 0.00 -0.76 0.26 0.00 -0.94 0.00 0.00 52.86 51.42 3kxp s ASN 44 Cb 0.00 0.67 1.55 0.00 -2.00 0.00 0.00 41.25 41.47 3kxp s ASN 44 CO 0.00 -1.27 2.08 0.77 -2.94 0.00 0.00 177.10 175.74 3kxp h SER 45 N 2.11 0.00 -0.67 3.54 4.64 -1.91 -3.13 113.55 118.12 3kxp h SER 45 Ca -0.22 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.23 3kxp h SER 45 Cb 1.25 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.30 3kxp h SER 45 CO 0.29 0.00 0.45 0.00 -0.87 0.00 0.00 176.83 176.70 3kxp h ALA 46 N 1.78 2.15 0.00 5.18 0.00 -1.94 -2.32 119.26 124.11 3kxp h ALA 46 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kxp h ALA 46 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3kxp h ALA 46 CO -0.00 -0.32 0.20 -0.39 0.00 0.00 0.00 179.25 178.74 3kxp h VAL 47 N 0.35 0.00 0.00 0.00 -1.51 -1.88 -1.85 116.25 111.35 3kxp h VAL 47 Ca 0.32 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.79 3kxp h VAL 47 Cb 0.79 0.68 0.00 0.00 -2.13 0.00 0.00 31.29 30.62 3kxp h VAL 47 CO -0.09 0.00 -0.71 0.49 -1.23 0.00 0.00 177.57 176.04 3kxp n PHE 48 N -2.75 0.05 -0.26 5.19 3.01 -0.87 -4.45 117.46 117.38 3kxp n PHE 48 Ca -0.02 0.01 0.05 0.00 1.01 0.00 0.00 57.45 58.51 3kxp n PHE 48 Cb 0.25 -0.22 0.19 0.00 -0.01 0.00 0.00 39.48 39.69 3kxp n PHE 48 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3kxp h GLU 49 N 0.00 0.47 0.00 -1.08 5.08 -1.50 -0.10 114.58 117.45 3kxp h GLU 49 Ca 0.00 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3kxp h GLU 49 Cb 0.54 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 3kxp h GLU 49 CO 0.00 0.31 -0.09 -1.35 -1.00 0.00 0.00 179.01 176.89 3kxp h PRO 50 N 0.49 0.00 -1.02 2.33 0.11 -1.81 -1.96 132.00 130.14 3kxp h PRO 50 Ca 0.42 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.32 3kxp h PRO 50 Cb 0.62 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 31.61 3kxp h PRO 50 CO -0.39 0.09 0.26 -0.11 -0.21 0.00 0.00 178.00 177.64 3kxp n LEU 51 N -3.88 4.54 0.00 2.35 7.94 -0.05 -4.22 117.00 123.68 3kxp n LEU 51 Ca -0.02 -2.36 0.00 0.00 -1.11 0.00 0.00 56.01 52.51 3kxp n LEU 51 Cb 0.18 -0.65 0.00 0.00 0.53 0.00 0.00 43.42 43.48 3kxp n LEU 51 CO 0.30 0.73 0.00 -0.38 -1.11 0.00 0.00 177.39 176.94 3kxp n ILE 53 N -0.13 0.00 0.75 1.96 5.41 -0.74 -3.56 119.36 123.06 3kxp n ILE 53 Ca 0.24 0.00 0.13 0.00 1.00 0.00 0.00 62.75 64.12 3kxp n ILE 53 Cb 0.95 0.00 0.47 0.00 -0.71 0.00 0.00 39.64 40.35 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 0.17 0.00 0.38 5.12 -1.26 -3.73 116.66 117.34 3kxp n ARG 54 Ca 0.00 0.14 0.00 0.00 -1.93 0.00 0.00 57.85 56.06 3kxp n ARG 54 Cb 0.00 -1.70 -0.00 0.00 -1.16 0.00 0.00 32.46 29.60 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 -2.00 0.47 0.12 0.55 4.77 -1.23 -4.72 117.00 114.96 3kxp n LEU 55 Ca 0.06 -0.73 0.10 0.00 -0.03 0.00 0.00 56.01 55.41 3kxp n LEU 55 Cb 0.40 0.00 0.59 0.00 -2.33 0.00 0.00 43.42 42.08 3kxp n LEU 55 CO 0.29 0.12 1.12 0.28 -1.33 0.00 0.00 177.39 177.87 3kxp h SER 56 N 0.02 0.14 0.62 -1.43 0.02 -1.74 0.91 113.55 112.09 3kxp h SER 56 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kxp h SER 56 Cb 0.01 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.52 3kxp h SER 56 CO 0.00 0.09 0.00 -2.24 -1.14 0.00 0.00 176.83 173.54 3kxp h ASP 57 N 0.16 0.00 0.00 3.07 3.04 -1.84 -3.29 116.42 117.56 3kxp h ASP 57 Ca 0.11 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.90 3kxp h ASP 57 Cb 0.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.54 3kxp h ASP 57 CO -0.02 0.00 -0.80 0.54 -2.04 0.00 0.00 179.24 176.92 3kxp n ARG 58 N -2.83 2.46 -4.33 4.15 1.74 -0.78 -4.90 116.66 112.17 3kxp n ARG 58 Ca -0.00 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.89 3kxp n ARG 58 Cb 0.21 -0.90 -0.10 0.00 -1.02 0.00 0.00 32.46 30.64 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 -1.72 1.70 -0.89 -1.55 0.40 0.25 -4.15 117.98 112.01 3kxp s PHE 59 Ca 0.00 -0.55 -0.20 0.00 -0.60 0.00 0.00 56.93 55.58 3kxp s PHE 59 Cb 0.00 -0.81 0.10 0.00 0.51 0.00 0.00 43.02 42.82 3kxp s PHE 59 CO 0.00 0.33 1.16 0.99 0.70 0.00 0.00 175.22 178.40 3kxp s THR 60 N -2.71 4.49 -0.19 0.64 2.01 -0.51 -3.37 115.64 116.00 3kxp s THR 60 Ca 0.20 -1.17 -0.29 0.00 0.31 0.00 0.00 61.69 60.73 3kxp s THR 60 Cb -0.02 -4.82 0.00 0.00 0.01 0.00 0.00 72.50 67.68 3kxp s THR 60 CO 0.06 -1.58 1.03 0.42 -0.69 0.00 0.00 174.62 173.86 3kxp s THR 61 N 3.41 4.72 -0.10 -0.82 -4.23 -0.31 -4.50 115.64 113.81 3kxp s THR 61 Ca 0.33 2.03 -0.00 0.00 -1.18 0.00 0.00 61.69 62.87 3kxp s THR 61 Cb -0.06 -4.31 0.02 0.00 1.34 0.00 0.00 72.50 69.49 3kxp s THR 61 CO -0.06 -0.12 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.22 3kxp s ILE 62 N 2.79 0.84 -0.15 2.99 1.01 -1.26 -1.97 121.20 125.45 3kxp s ILE 62 Ca 0.45 -0.19 -0.10 0.00 0.00 0.00 0.00 60.65 60.82 3kxp s ILE 62 Cb -0.16 -0.89 -0.05 0.00 0.01 0.00 0.00 42.46 41.37 3kxp s ILE 62 CO 0.10 0.33 0.18 0.00 0.00 0.00 0.00 174.94 175.55 3kxp s ALA 63 N 1.65 3.73 -0.16 9.38 0.00 -0.16 -0.71 121.76 135.50 3kxp s ALA 63 Ca 0.03 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 51.36 3kxp s ALA 63 Cb -0.13 -2.16 -0.02 0.00 0.00 0.00 0.00 23.12 20.81 3kxp s ALA 63 CO -0.06 0.31 -0.07 0.08 0.00 0.00 0.00 175.76 176.02 3kxp s VAL 64 N -0.15 3.47 -0.16 0.00 1.01 -0.53 -1.28 120.40 122.75 3kxp s VAL 64 Ca 0.13 -0.50 -0.28 0.00 0.00 0.00 0.00 61.98 61.33 3kxp s VAL 64 Cb -0.12 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 3kxp s VAL 64 CO 0.02 0.49 0.95 -1.81 0.00 0.00 0.00 175.10 174.76 3kxp s ASP 65 N 0.57 7.10 0.48 3.32 -0.00 -0.52 -4.36 116.67 123.26 3kxp s ASP 65 Ca -0.05 1.36 -0.05 0.00 -0.00 0.00 0.00 52.55 53.81 3kxp s ASP 65 Cb -0.15 -2.52 -0.03 0.00 -0.00 0.00 0.00 42.92 40.22 3kxp s ASP 65 CO 0.03 -0.50 0.78 -1.10 -0.00 0.00 0.00 175.17 174.38 3kxp s GLN 66 N 2.41 3.51 0.11 8.23 -0.21 -1.26 -4.27 119.66 128.18 3kxp s GLN 66 Ca 0.44 0.16 -0.34 0.00 0.02 0.00 0.00 55.36 55.63 3kxp s GLN 66 Cb -0.17 -2.39 -0.18 0.00 1.00 0.00 0.00 33.01 31.27 3kxp s GLN 66 CO 0.13 -0.20 0.89 2.89 -2.12 0.00 0.00 175.29 176.88 3kxp n ARG 67 N -2.24 0.26 0.00 2.91 1.85 -1.26 -0.30 116.66 117.87 3kxp n ARG 67 Ca 0.00 0.09 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 3kxp n ARG 67 Cb 0.55 -1.41 0.00 0.00 -1.05 0.00 0.00 32.46 30.55 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 1.79 2.74 3.73 2.89 0.00 -0.70 -5.00 105.19 110.63 3kxp n GLY 68 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.05 2.90 0.00 1.61 3.76 0.58 -1.74 115.29 120.36 3kxp s HIS 69 Ca 0.00 -0.16 0.00 0.00 -0.15 0.00 0.00 55.06 54.75 3kxp s HIS 69 Cb 0.00 -1.31 0.00 0.00 1.11 0.00 0.00 32.58 32.38 3kxp s HIS 69 CO 0.00 0.57 0.00 0.41 -0.85 0.00 0.00 174.74 174.87 3kxp n GLY 70 N -0.94 2.49 2.02 -2.22 0.00 -1.26 -1.87 105.19 103.42 3kxp n GLY 70 Ca -0.07 0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 3kxp n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kxp n LEU 71 N 0.00 6.18 -4.98 0.99 4.77 -1.26 -4.65 117.00 118.05 3kxp n LEU 71 Ca 0.00 -3.32 -0.20 0.00 -0.03 0.00 0.00 56.01 52.46 3kxp n LEU 71 Cb 0.00 -0.76 -0.01 0.00 -2.33 0.00 0.00 43.42 40.32 3kxp n LEU 71 CO 0.00 0.87 0.02 -0.44 -1.33 0.00 0.00 177.39 176.51 3kxp s SER 72 N -1.14 6.12 0.35 -1.43 0.01 -0.78 -4.25 113.70 112.59 3kxp s SER 72 Ca 0.55 -0.08 -0.28 0.00 1.31 0.00 0.00 55.95 57.46 3kxp s SER 72 Cb 0.45 -1.50 -0.12 0.00 0.21 0.00 0.00 66.02 65.06 3kxp s SER 72 CO 0.13 -0.28 1.28 0.47 0.41 0.00 0.00 173.24 175.25 3kxp n ASP 73 N -1.54 2.72 -3.88 2.44 8.00 -0.89 -4.50 116.55 118.89 3kxp n ASP 73 Ca -0.04 1.19 -0.28 0.00 0.71 0.00 0.00 54.79 56.37 3kxp n ASP 73 Cb 0.58 -1.49 -0.12 0.00 -0.02 0.00 0.00 41.12 40.07 3kxp n ASP 73 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3kxp s LYS 74 N -1.93 2.30 0.80 -1.24 1.02 -1.26 -1.72 119.74 117.71 3kxp s LYS 74 Ca 0.56 -3.15 -0.13 0.00 0.02 0.00 0.00 55.97 53.27 3kxp s LYS 74 Cb -0.56 -3.30 0.08 0.00 -0.52 0.00 0.00 37.83 33.53 3kxp s LYS 74 CO 0.62 -1.26 1.20 -1.25 -0.92 0.00 0.00 175.35 173.74 3kxp s PRO 75 N -1.17 1.68 0.27 -1.68 0.04 -1.26 -4.91 135.00 127.97 3kxp s PRO 75 Ca 0.24 1.75 -0.02 0.00 0.04 0.00 0.00 61.00 63.01 3kxp s PRO 75 Cb -0.08 -1.78 0.43 0.00 0.04 0.00 0.00 34.50 33.11 3kxp s PRO 75 CO -0.14 -2.18 1.87 1.49 0.04 0.00 0.00 177.00 178.08 3kxp h GLU 76 N -0.86 1.12 -4.01 4.56 4.57 -2.02 -3.46 114.58 114.47 3kxp h GLU 76 Ca -0.46 -0.07 -0.24 0.00 -1.18 0.00 0.00 59.36 57.41 3kxp h GLU 76 Cb 1.29 -0.25 -0.07 0.00 -0.16 0.00 0.00 28.75 29.56 3kxp h GLU 76 CO 0.46 0.74 -0.16 -0.08 -1.18 0.00 0.00 179.01 178.80 3kxp s THR 77 N -6.02 0.00 0.00 0.32 -1.32 -1.26 -4.90 115.64 102.46 3kxp s THR 77 Ca -0.12 -1.55 0.00 0.00 -1.21 0.00 0.00 61.69 58.81 3kxp s THR 77 Cb 0.21 -2.63 0.00 0.00 -1.51 0.00 0.00 72.50 68.57 3kxp s THR 77 CO 0.81 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.83 3kxp n GLY 78 N -0.55 0.80 1.69 6.08 0.00 -1.26 -5.05 105.19 106.90 3kxp n GLY 78 Ca 0.00 -0.72 -0.08 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 -0.14 1.41 -2.79 1.61 4.02 -1.26 -4.79 117.16 115.22 3kxp n TYR 79 Ca 0.00 -1.81 -0.20 0.00 -0.01 0.00 0.00 57.90 55.88 3kxp n TYR 79 Cb 0.06 -0.27 0.03 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 -3.13 2.68 0.15 -0.72 0.41 -1.26 -4.31 118.70 112.52 3kxp s GLU 80 Ca 0.41 -0.86 -0.26 0.00 -0.41 0.00 0.00 54.97 53.86 3kxp s GLU 80 Cb 0.38 -2.57 0.01 0.00 -1.78 0.00 0.00 34.13 30.18 3kxp s GLU 80 CO -0.03 -0.54 1.59 0.00 -0.49 0.00 0.00 175.26 175.79 3kxp h ALA 81 N 0.26 -0.35 -0.78 5.21 0.00 -1.97 -0.58 119.26 121.04 3kxp h ALA 81 Ca -0.42 0.06 0.15 0.00 0.00 0.00 0.00 54.91 54.70 3kxp h ALA 81 Cb 1.29 0.78 -0.05 0.00 0.00 0.00 0.00 17.79 19.80 3kxp h ALA 81 CO 0.51 -0.81 0.52 -0.91 0.00 0.00 0.00 179.25 178.55 3kxp h ASN 82 N -0.33 0.45 0.49 0.00 -0.26 -1.98 0.98 115.58 114.92 3kxp h ASN 82 Ca 0.14 0.03 -0.02 0.00 -0.56 0.00 0.00 56.30 55.88 3kxp h ASN 82 Cb 0.57 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.77 3kxp h ASN 82 CO -0.51 0.23 -0.24 0.44 -1.06 0.00 0.00 177.43 176.29 3kxp h ASP 83 N 0.48 -0.56 -0.77 5.81 3.32 -1.45 -1.09 116.42 122.16 3kxp h ASP 83 Ca 0.38 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.41 3kxp h ASP 83 Cb 0.81 0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.47 3kxp h ASP 83 CO -0.13 -0.33 0.47 1.88 -1.72 0.00 0.00 179.24 179.40 3kxp h TYR 84 N -0.74 1.02 -0.10 4.55 -1.99 -0.87 -2.78 116.97 116.07 3kxp h TYR 84 Ca -0.07 -0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.66 3kxp h TYR 84 Cb 0.54 -0.34 -0.00 0.00 2.00 0.00 0.00 36.73 38.93 3kxp h TYR 84 CO -0.02 0.68 0.03 0.00 -0.00 0.00 0.00 178.16 178.85 3kxp h ALA 85 N 1.44 0.13 0.00 3.88 0.00 -0.67 -2.57 119.26 121.47 3kxp h ALA 85 Ca 0.28 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3kxp h ALA 85 Cb -0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3kxp h ALA 85 CO -0.05 -0.27 -0.07 -0.44 0.00 0.00 0.00 179.25 178.41 3kxp h ASP 86 N -0.02 0.00 -0.41 0.00 3.32 -1.08 -0.45 116.42 117.78 3kxp h ASP 86 Ca 0.03 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.94 3kxp h ASP 86 Cb 0.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3kxp h ASP 86 CO -0.00 0.07 -0.30 0.44 -1.72 0.00 0.00 179.24 177.74 3kxp h ASP 87 N 0.00 0.97 -0.31 6.45 3.45 -1.19 0.56 116.42 126.35 3kxp h ASP 87 Ca -0.00 -0.44 -0.05 0.00 0.43 0.00 0.00 57.03 56.98 3kxp h ASP 87 Cb 0.23 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.71 3kxp h ASP 87 CO 0.01 1.20 0.00 0.40 -1.57 0.00 0.00 179.24 179.28 3kxp h ILE 88 N 0.75 1.26 -0.10 0.35 2.04 -0.83 0.11 117.51 121.09 3kxp h ILE 88 Ca 0.08 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 65.00 3kxp h ILE 88 Cb 0.88 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 38.22 3kxp h ILE 88 CO 0.08 0.30 0.05 0.00 0.00 0.00 0.00 178.15 178.59 3kxp h ALA 89 N 0.84 0.12 -0.63 1.87 0.00 -0.96 -1.36 119.26 119.14 3kxp h ALA 89 Ca 0.09 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3kxp h ALA 89 Cb 0.43 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3kxp h ALA 89 CO 0.02 -0.35 0.34 0.78 0.00 0.00 0.00 179.25 180.04 3kxp h GLY 90 N 0.07 0.91 0.96 0.00 0.00 0.31 -2.30 103.07 103.02 3kxp h GLY 90 Ca 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 3kxp h GLY 90 CO -0.01 0.15 0.18 -2.00 0.00 0.00 0.00 176.54 174.86 3kxp h LEU 91 N 0.64 0.39 -0.39 3.11 5.85 -0.50 -1.41 115.31 123.01 3kxp h LEU 91 Ca 0.28 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.95 3kxp h LEU 91 Cb 0.17 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3kxp h LEU 91 CO -0.17 0.36 0.21 0.40 -0.34 0.00 0.00 178.44 178.89 3kxp h ILE 92 N 0.40 1.00 -0.40 4.05 2.04 -0.93 0.21 117.51 123.87 3kxp h ILE 92 Ca 0.11 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3kxp h ILE 92 Cb 0.05 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 3kxp h ILE 92 CO -0.02 0.08 0.23 0.03 0.00 0.00 0.00 178.15 178.47 3kxp h ARG 93 N 0.42 0.55 -0.17 2.37 3.08 -1.27 -0.76 114.38 118.60 3kxp h ARG 93 Ca 0.16 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 3kxp h ARG 93 Cb 0.05 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3kxp h ARG 93 CO -0.10 0.43 0.10 1.15 -1.07 0.00 0.00 179.97 180.48 3kxp h THR 94 N 0.52 1.07 -0.52 2.04 2.02 -0.75 -2.10 112.91 115.19 3kxp h THR 94 Ca 0.14 -0.17 0.02 0.00 0.77 0.00 0.00 66.41 67.18 3kxp h THR 94 Cb 0.03 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 3kxp h THR 94 CO -0.02 0.07 0.35 -0.07 0.37 0.00 0.00 175.52 176.21 3kxp h LEU 95 N 0.20 0.54 -3.53 2.58 3.38 -0.39 -3.47 115.31 114.62 3kxp h LEU 95 Ca 0.06 -0.01 -0.47 0.00 0.09 0.00 0.00 57.88 57.56 3kxp h LEU 95 Cb 0.02 -0.13 0.02 0.00 0.09 0.00 0.00 40.66 40.66 3kxp h LEU 95 CO -0.01 0.38 -0.93 0.00 0.09 0.00 0.00 178.44 177.97 3kxp n ALA 96 N -2.47 -2.64 -2.16 1.53 0.00 -0.31 -4.91 120.51 109.55 3kxp n ALA 96 Ca 0.06 -0.34 0.04 0.00 0.00 0.00 0.00 53.44 53.19 3kxp n ALA 96 Cb 0.11 -2.45 0.06 0.00 0.00 0.00 0.00 19.45 17.17 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 -3.82 0.38 0.00 0.00 1.74 -1.26 -5.12 116.66 108.58 3kxp n ARG 97 Ca -0.16 -2.12 0.00 0.00 -0.77 0.00 0.00 57.85 54.81 3kxp n ARG 97 Cb 0.60 -0.48 0.00 0.00 -1.02 0.00 0.00 32.46 31.56 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 -0.01 -0.05 3.72 -0.13 0.00 -1.26 -4.48 105.19 102.99 3kxp n GLY 98 Ca 0.08 -1.88 -0.34 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.40 2.07 0.13 1.61 -3.43 -1.26 -4.88 115.29 108.13 3kxp s HIS 99 Ca 0.00 1.59 0.08 0.00 -0.80 0.00 0.00 55.06 55.93 3kxp s HIS 99 Cb 0.00 -3.48 -0.04 0.00 -1.43 0.00 0.00 32.58 27.63 3kxp s HIS 99 CO 0.00 -2.61 -0.10 0.00 -2.00 0.00 0.00 174.74 170.03 3kxp s ALA 100 N -1.94 2.93 -0.17 -1.38 0.00 0.56 -4.37 121.76 117.39 3kxp s ALA 100 Ca 0.75 -1.32 -0.15 0.00 0.00 0.00 0.00 51.96 51.24 3kxp s ALA 100 Cb -0.30 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 3kxp s ALA 100 CO 0.45 0.58 0.35 0.42 0.00 0.00 0.00 175.76 177.56 3kxp s ILE 101 N -1.36 5.25 -0.23 0.00 1.01 -0.81 -0.42 121.20 124.65 3kxp s ILE 101 Ca 0.22 0.65 -0.08 0.00 0.00 0.00 0.00 60.65 61.44 3kxp s ILE 101 Cb -0.10 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 3kxp s ILE 101 CO 0.14 0.33 0.09 -0.76 0.00 0.00 0.00 174.94 174.74 3kxp s LEU 102 N 0.80 3.68 -0.32 2.97 1.02 -0.19 -1.48 118.68 125.17 3kxp s LEU 102 Ca 0.18 -0.07 -0.01 0.00 0.02 0.00 0.00 54.13 54.26 3kxp s LEU 102 Cb -0.14 -1.98 0.06 0.00 0.02 0.00 0.00 46.19 44.16 3kxp s LEU 102 CO 0.06 0.03 0.02 -0.69 0.02 0.00 0.00 176.35 175.80 3kxp s VAL 103 N 1.21 2.90 0.07 -1.59 1.01 -0.05 0.18 120.40 124.12 3kxp s VAL 103 Ca 0.05 -1.59 0.07 0.00 0.00 0.00 0.00 61.98 60.51 3kxp s VAL 103 Cb -0.14 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 3kxp s VAL 103 CO 0.04 -0.23 -0.18 -0.83 0.00 0.00 0.00 175.10 173.90 3kxp s GLY 104 N 1.30 1.06 -0.15 4.51 0.00 -0.59 -0.84 107.32 112.61 3kxp s GLY 104 Ca -0.02 -1.07 -0.01 0.00 0.00 0.00 0.00 44.72 43.62 3kxp s GLY 104 CO -0.02 -1.05 -0.12 -1.58 0.00 0.00 0.00 173.10 170.32 3kxp s HIS 105 N -1.02 2.83 0.00 1.90 2.46 -0.65 0.05 115.29 120.86 3kxp s HIS 105 Ca 0.04 -0.81 0.00 0.00 0.47 0.00 0.00 55.06 54.76 3kxp s HIS 105 Cb -0.09 -1.90 0.00 0.00 -0.13 0.00 0.00 32.58 30.45 3kxp s HIS 105 CO 0.03 -0.35 0.00 -1.13 -2.47 0.00 0.00 174.74 170.82 3kxp n SER 106 N 3.90 0.00 -0.27 9.88 3.41 0.68 -0.53 113.62 130.68 3kxp n SER 106 Ca -0.18 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.51 3kxp n SER 106 Cb 0.52 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.70 3kxp n SER 106 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3kxp h LEU 107 N 0.00 0.08 -0.85 1.04 5.85 -1.90 0.15 115.31 119.68 3kxp h LEU 107 Ca 0.00 0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 3kxp h LEU 107 Cb 0.00 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3kxp h LEU 107 CO 0.00 -0.05 0.02 1.23 -0.34 0.00 0.00 178.44 179.30 3kxp h GLY 108 N 0.29 0.94 0.85 3.75 0.00 -0.27 -1.46 103.07 107.18 3kxp h GLY 108 Ca 0.48 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 3kxp h GLY 108 CO -0.55 0.59 -0.04 0.00 0.00 0.00 0.00 176.54 176.54 3kxp h ALA 109 N 1.20 0.34 -0.96 3.60 0.00 -0.95 -0.22 119.26 122.27 3kxp h ALA 109 Ca 0.16 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3kxp h ALA 109 Cb 0.46 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3kxp h ALA 109 CO 0.02 0.13 0.63 -0.09 0.00 0.00 0.00 179.25 179.94 3kxp h ARG 110 N 0.23 1.20 -0.30 0.00 1.12 -0.68 -1.17 114.38 114.78 3kxp h ARG 110 Ca 0.07 -0.07 -0.12 0.00 -1.11 0.00 0.00 59.98 58.75 3kxp h ARG 110 Cb 0.49 -0.27 -0.01 0.00 -0.01 0.00 0.00 29.97 30.18 3kxp h ARG 110 CO 0.02 0.79 -0.27 -0.91 -3.11 0.00 0.00 179.97 176.49 3kxp h ASN 111 N 1.23 0.75 -0.70 -3.80 2.35 -1.08 -2.76 115.58 111.56 3kxp h ASN 111 Ca 0.38 -0.46 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 3kxp h ASN 111 Cb -0.02 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 3kxp h ASN 111 CO -0.11 1.06 0.22 0.28 -1.65 0.00 0.00 177.43 177.23 3kxp h SER 112 N 0.46 1.02 -0.22 5.81 0.02 -0.49 0.14 113.55 120.28 3kxp h SER 112 Ca 0.05 -0.21 -0.14 0.00 -0.84 0.00 0.00 61.79 60.66 3kxp h SER 112 Cb 0.83 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 3kxp h SER 112 CO 0.07 0.95 -0.35 0.58 -1.14 0.00 0.00 176.83 176.94 3kxp h VAL 113 N 1.03 1.28 -0.23 2.27 2.07 -1.28 -0.24 116.25 121.15 3kxp h VAL 113 Ca 0.23 -1.51 -0.04 0.00 0.82 0.00 0.00 66.70 66.20 3kxp h VAL 113 Cb 0.30 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 3kxp h VAL 113 CO -0.01 0.49 0.00 0.74 0.02 0.00 0.00 177.57 178.82 3kxp h THR 114 N 0.62 1.25 -0.90 2.57 2.02 -1.25 -1.02 112.91 116.21 3kxp h THR 114 Ca 0.06 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.37 3kxp h THR 114 Cb 0.89 1.38 -0.04 0.00 -1.74 0.00 0.00 68.15 68.63 3kxp h THR 114 CO 0.08 0.27 0.58 0.00 0.37 0.00 0.00 175.52 176.82 3kxp h ALA 115 N 0.81 1.14 -0.05 6.16 0.00 -0.59 -1.85 119.26 124.88 3kxp h ALA 115 Ca 0.07 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 3kxp h ALA 115 Cb 0.40 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3kxp h ALA 115 CO 0.01 0.56 -0.47 0.00 0.00 0.00 0.00 179.25 179.35 3kxp h ALA 116 N 1.32 1.12 -0.01 0.00 0.00 -0.86 0.42 119.26 121.25 3kxp h ALA 116 Ca 0.33 -0.44 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 3kxp h ALA 116 Cb -0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3kxp h ALA 116 CO -0.07 0.62 -0.76 0.00 0.00 0.00 0.00 179.25 179.04 3kxp h ALA 117 N 1.42 0.72 0.03 0.00 0.00 -0.80 -3.00 119.26 117.62 3kxp h ALA 117 Ca 0.00 -0.68 -0.31 0.00 0.00 0.00 0.00 54.91 53.93 3kxp h ALA 117 Cb 0.88 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 3kxp h ALA 117 CO 0.07 0.91 -1.77 1.17 0.00 0.00 0.00 179.25 179.62 3kxp n LYS 118 N -3.68 0.66 -3.13 0.00 4.81 -0.73 -4.57 118.16 111.53 3kxp n LYS 118 Ca -0.02 0.29 -0.23 0.00 -0.87 0.00 0.00 58.31 57.48 3kxp n LYS 118 Cb 0.73 -1.78 -0.04 0.00 0.02 0.00 0.00 35.03 33.96 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 -3.15 2.00 -0.30 5.64 4.02 0.15 -4.95 117.16 120.55 3kxp n TYR 119 Ca -0.20 -3.90 0.17 0.00 -0.01 0.00 0.00 57.90 53.96 3kxp n TYR 119 Cb 1.05 -0.45 0.42 0.00 -0.02 0.00 0.00 39.34 40.34 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 3.26 0.56 0.00 -0.72 0.13 -1.73 -0.96 132.00 132.54 3kxp h PRO 120 Ca 0.12 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 3kxp h PRO 120 Cb 0.74 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 31.75 3kxp h PRO 120 CO 0.66 0.37 -0.05 -0.44 -0.23 0.00 0.00 178.00 178.30 3kxp h ASP 121 N 0.57 0.00 0.67 1.44 3.45 -1.92 -2.75 116.42 117.89 3kxp h ASP 121 Ca 0.53 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.97 3kxp h ASP 121 Cb 1.08 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.85 3kxp h ASP 121 CO -0.28 0.05 -1.34 0.18 -1.57 0.00 0.00 179.24 176.28 3kxp n LEU 122 N -3.26 0.59 -4.36 1.55 4.77 -0.38 -4.68 117.00 111.23 3kxp n LEU 122 Ca -0.01 0.23 -0.36 0.00 -0.03 0.00 0.00 56.01 55.84 3kxp n LEU 122 Cb 0.24 -0.03 -0.13 0.00 -2.33 0.00 0.00 43.42 41.17 3kxp n LEU 122 CO 0.27 -0.10 -0.33 -0.69 -1.33 0.00 0.00 177.39 175.20 3kxp s VAL 123 N -3.37 3.77 -0.06 4.08 1.01 -1.04 -0.32 120.40 124.47 3kxp s VAL 123 Ca -0.03 -0.44 -0.27 0.00 0.00 0.00 0.00 61.98 61.24 3kxp s VAL 123 Cb 0.11 -2.78 -0.22 0.00 0.00 0.00 0.00 36.38 33.48 3kxp s VAL 123 CO 0.83 0.32 1.11 -0.09 0.00 0.00 0.00 175.10 177.28 3kxp h ARG 124 N 8.17 0.02 -2.70 2.72 2.43 -0.99 -3.46 114.38 120.58 3kxp h ARG 124 Ca -0.38 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 58.87 3kxp h ARG 124 Cb 1.16 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.62 3kxp h ARG 124 CO 0.59 0.67 0.34 -1.54 -1.51 0.00 0.00 179.97 178.52 3kxp s SER 125 N -5.89 -0.30 -0.01 -3.80 1.04 -1.25 -4.30 113.70 99.19 3kxp s SER 125 Ca -0.17 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 55.93 3kxp s SER 125 Cb 0.00 0.58 -0.00 0.00 0.10 0.00 0.00 66.02 66.71 3kxp s SER 125 CO 0.68 -1.04 -0.06 -0.69 0.98 0.00 0.00 173.24 173.11 3kxp s VAL 126 N -3.58 0.46 -0.39 5.02 1.01 0.60 -1.02 120.40 122.50 3kxp s VAL 126 Ca 0.09 -0.24 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 3kxp s VAL 126 Cb -0.03 -0.40 0.09 0.00 0.00 0.00 0.00 36.38 36.04 3kxp s VAL 126 CO -0.00 0.14 0.19 -0.69 0.00 0.00 0.00 175.10 174.74 3kxp s VAL 127 N -0.05 3.60 -0.56 2.92 1.01 0.13 0.04 120.40 127.48 3kxp s VAL 127 Ca 0.01 -1.68 -0.20 0.00 0.00 0.00 0.00 61.98 60.11 3kxp s VAL 127 Cb -0.03 -3.29 0.08 0.00 0.00 0.00 0.00 36.38 33.14 3kxp s VAL 127 CO -0.00 -0.52 0.70 0.00 0.00 0.00 0.00 175.10 175.28 3kxp s ALA 128 N 1.27 3.37 -0.49 5.51 0.00 0.34 -1.54 121.76 130.23 3kxp s ALA 128 Ca 0.04 -1.95 -0.20 0.00 0.00 0.00 0.00 51.96 49.85 3kxp s ALA 128 Cb -0.22 -3.49 0.05 0.00 0.00 0.00 0.00 23.12 19.45 3kxp s ALA 128 CO -0.01 -2.25 0.63 0.42 0.00 0.00 0.00 175.76 174.56 3kxp s ILE 129 N 2.84 4.85 -1.11 0.00 1.01 0.11 -1.26 121.20 127.63 3kxp s ILE 129 Ca 0.15 -0.28 -0.06 0.00 0.00 0.00 0.00 60.65 60.45 3kxp s ILE 129 Cb -0.21 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 37.95 3kxp s ILE 129 CO 0.09 -0.74 0.90 -0.67 0.00 0.00 0.00 174.94 174.52 3kxp n ASP 130 N 6.23 -5.18 -3.04 3.58 2.03 0.14 -0.23 116.55 120.07 3kxp n ASP 130 Ca -0.05 -0.74 0.03 0.00 0.52 0.00 0.00 54.79 54.55 3kxp n ASP 130 Cb 0.46 -4.86 0.00 0.00 -0.72 0.00 0.00 41.12 36.00 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 -3.42 -0.88 0.50 -0.67 2.19 -1.26 -4.02 117.98 110.42 3kxp s PHE 131 Ca 0.34 0.34 0.02 0.00 0.33 0.00 0.00 56.93 57.96 3kxp s PHE 131 Cb -0.06 0.16 0.02 0.00 -1.31 0.00 0.00 43.02 41.83 3kxp s PHE 131 CO 0.76 -0.55 0.15 0.25 1.83 0.00 0.00 175.22 177.65 3kxp n THR 132 N 4.61 0.00 -1.68 0.12 -2.24 -1.26 -4.55 114.28 109.28 3kxp n THR 132 Ca 0.08 -2.22 -0.27 0.00 -2.27 0.00 0.00 64.05 59.37 3kxp n THR 132 Cb 0.59 0.27 0.20 0.00 -2.10 0.00 0.00 70.33 69.29 3kxp n THR 132 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3kxp n PRO 133 N -1.41 -1.57 -1.06 -0.78 -0.02 -1.26 -4.18 135.00 124.73 3kxp n PRO 133 Ca -0.13 -1.85 -0.02 0.00 -2.02 0.00 0.00 63.50 59.48 3kxp n PRO 133 Cb 0.61 -1.32 -0.01 0.00 -0.02 0.00 0.00 33.50 32.76 3kxp n PRO 133 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3kxp n TYR 134 N -3.90 0.00 -1.84 6.00 4.02 -1.26 -4.81 117.16 115.36 3kxp n TYR 134 Ca 0.15 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.62 3kxp n TYR 134 Cb 0.54 -1.71 -0.03 0.00 -0.02 0.00 0.00 39.34 38.11 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 -1.39 2.36 0.56 -0.72 1.01 -1.26 -4.72 121.20 117.04 3kxp s ILE 135 Ca 0.00 0.26 -0.19 0.00 0.00 0.00 0.00 60.65 60.72 3kxp s ILE 135 Cb 0.00 -3.16 -0.05 0.00 0.01 0.00 0.00 42.46 39.25 3kxp s ILE 135 CO 0.00 0.02 1.14 -1.83 0.00 0.00 0.00 174.94 174.27 3kxp s GLU 136 N 1.13 3.26 0.27 2.79 1.03 -1.26 -4.92 118.70 121.00 3kxp s GLU 136 Ca 0.72 1.64 -0.01 0.00 0.03 0.00 0.00 54.97 57.35 3kxp s GLU 136 Cb -0.46 -1.99 0.45 0.00 -0.80 0.00 0.00 34.13 31.32 3kxp s GLU 136 CO 0.32 -0.93 1.87 1.15 -1.33 0.00 0.00 175.26 176.33 3kxp h THR 137 N 1.09 1.04 -0.38 1.83 2.02 -2.00 -2.03 112.91 114.48 3kxp h THR 137 Ca -0.50 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.29 3kxp h THR 137 Cb 1.27 -0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 3kxp h THR 137 CO 0.56 0.20 0.20 -0.33 0.37 0.00 0.00 175.52 176.53 3kxp h GLU 138 N 1.12 0.51 -0.29 6.66 3.07 -1.99 0.21 114.58 123.88 3kxp h GLU 138 Ca 0.45 -0.05 -0.13 0.00 -0.50 0.00 0.00 59.36 59.13 3kxp h GLU 138 Cb 0.26 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.06 3kxp h GLU 138 CO -0.20 0.39 -0.32 0.00 -1.40 0.00 0.00 179.01 177.47 3kxp h ALA 139 N 1.70 0.43 -0.16 3.43 0.00 -1.69 -2.27 119.26 120.70 3kxp h ALA 139 Ca 0.14 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 3kxp h ALA 139 Cb 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3kxp h ALA 139 CO -0.02 0.47 -0.42 -0.07 0.00 0.00 0.00 179.25 179.21 3kxp h LEU 140 N 0.48 0.38 -0.64 0.00 3.38 -1.16 -2.13 115.31 115.62 3kxp h LEU 140 Ca 0.04 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 3kxp h LEU 140 Cb 0.90 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 3kxp h LEU 140 CO 0.08 0.76 0.11 0.44 0.09 0.00 0.00 178.44 179.93 3kxp h ASP 141 N 0.30 1.01 -0.45 -0.43 3.32 -0.89 -0.78 116.42 118.51 3kxp h ASP 141 Ca 0.02 -0.26 -0.08 0.00 0.02 0.00 0.00 57.03 56.74 3kxp h ASP 141 Cb 0.87 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 3kxp h ASP 141 CO 0.07 1.01 -0.01 0.00 -1.72 0.00 0.00 179.24 178.59 3kxp h ALA 142 N 1.04 1.02 -0.30 3.45 0.00 -1.18 -0.19 119.26 123.11 3kxp h ALA 142 Ca 0.20 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 3kxp h ALA 142 Cb 0.42 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3kxp h ALA 142 CO 0.01 0.60 -0.35 1.25 0.00 0.00 0.00 179.25 180.76 3kxp h LEU 143 N 0.80 0.83 -0.49 0.00 6.46 -1.10 -2.68 115.31 119.13 3kxp h LEU 143 Ca 0.15 -0.49 -0.07 0.00 -0.12 0.00 0.00 57.88 57.35 3kxp h LEU 143 Cb 0.49 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 3kxp h LEU 143 CO 0.02 1.15 0.02 -0.08 -0.62 0.00 0.00 178.44 178.93 3kxp h GLU 144 N 0.52 0.86 0.00 1.25 4.81 -0.98 -1.29 114.58 119.75 3kxp h GLU 144 Ca 0.04 -0.27 -0.03 0.00 -0.13 0.00 0.00 59.36 58.97 3kxp h GLU 144 Cb 0.94 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.23 3kxp h GLU 144 CO 0.08 0.89 -0.15 0.00 -0.73 0.00 0.00 179.01 179.10 3kxp h ALA 145 N 0.94 1.63 0.18 2.92 0.00 -1.01 -1.33 119.26 122.59 3kxp h ALA 145 Ca 0.14 -0.14 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 3kxp h ALA 145 Cb 0.49 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.27 3kxp h ALA 145 CO 0.02 0.19 -1.44 0.00 0.00 0.00 0.00 179.25 178.02 3kxp h ARG 146 N 0.00 0.39 0.81 0.00 3.08 -1.27 -3.23 114.38 114.16 3kxp h ARG 146 Ca -0.00 -0.67 -0.04 0.00 0.07 0.00 0.00 59.98 59.34 3kxp h ARG 146 Cb 0.29 0.25 0.01 0.00 0.08 0.00 0.00 29.97 30.59 3kxp h ARG 146 CO 0.02 1.32 -0.39 0.28 -1.07 0.00 0.00 179.97 180.13 3kxp h VAL 147 N -0.06 0.20 -0.46 2.04 2.07 -0.99 -3.05 116.25 116.00 3kxp h VAL 147 Ca -0.28 -0.01 0.13 0.00 0.82 0.00 0.00 66.70 67.37 3kxp h VAL 147 Cb 1.97 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 3kxp h VAL 147 CO 0.18 0.00 0.34 0.78 0.02 0.00 0.00 177.57 178.88 3kxp h ASN 148 N -1.10 0.00 -1.48 0.57 2.35 -1.42 -2.62 115.58 111.88 3kxp h ASN 148 Ca -0.11 0.00 -0.65 0.00 -0.55 0.00 0.00 56.30 54.99 3kxp h ASN 148 Cb 0.84 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 38.97 3kxp h ASN 148 CO 0.18 0.00 0.82 0.00 -1.65 0.00 0.00 177.43 176.78 3kxp n ALA 149 N -2.61 6.38 0.00 -0.83 0.00 -1.15 -4.42 120.51 117.87 3kxp n ALA 149 Ca 0.08 -3.56 0.00 0.00 0.00 0.00 0.00 53.44 49.96 3kxp n ALA 149 Cb 0.54 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 -0.18 0.00 3.56 0.00 0.00 -0.99 -4.99 105.19 102.59 3kxp n GLY 150 Ca 0.52 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.36 3kxp n GLY 150 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kxp n SER 151 N -1.74 1.92 0.00 1.61 3.41 -1.26 -4.80 113.62 112.75 3kxp n SER 151 Ca 0.00 -1.25 0.00 0.00 -0.26 0.00 0.00 58.87 57.36 3kxp n SER 151 Cb 0.26 -1.64 0.00 0.00 -0.26 0.00 0.00 64.21 62.57 3kxp n SER 151 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kxp n GLN 152 N 8.84 0.47 -4.71 4.33 10.64 -1.26 -5.04 117.38 130.64 3kxp n GLN 152 Ca 0.45 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 55.35 3kxp n GLN 152 Cb 0.46 0.00 -0.17 0.00 -0.86 0.00 0.00 30.24 29.67 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 1.75 -0.06 2.61 2.96 -1.26 -4.31 118.68 120.37 3kxp s LEU 153 Ca 0.00 -0.38 0.05 0.00 -0.22 0.00 0.00 54.13 53.58 3kxp s LEU 153 Cb 0.00 -1.00 -0.02 0.00 0.50 0.00 0.00 46.19 45.68 3kxp s LEU 153 CO 0.00 0.06 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.52 3kxp s PHE 154 N 0.64 2.54 0.18 5.38 0.40 -0.48 -4.96 117.98 121.67 3kxp s PHE 154 Ca -0.14 -0.52 -0.18 0.00 -0.60 0.00 0.00 56.93 55.49 3kxp s PHE 154 Cb -0.16 -1.63 0.12 0.00 0.51 0.00 0.00 43.02 41.86 3kxp s PHE 154 CO 0.04 -0.08 1.64 0.93 0.70 0.00 0.00 175.22 178.45 3kxp h GLU 155 N 5.87 -0.08 -3.27 0.44 5.08 -1.88 0.77 114.58 121.51 3kxp h GLU 155 Ca -0.37 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 57.91 3kxp h GLU 155 Cb 1.17 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 3kxp h GLU 155 CO 0.49 -0.05 0.17 0.16 -1.00 0.00 0.00 179.01 178.78 3kxp s ASP 156 N -5.17 0.28 0.39 1.42 -4.77 -1.26 -4.39 116.67 103.17 3kxp s ASP 156 Ca -0.14 -1.30 0.07 0.00 -3.30 0.00 0.00 52.55 47.88 3kxp s ASP 156 Cb 0.15 0.83 0.81 0.00 -1.09 0.00 0.00 42.92 43.62 3kxp s ASP 156 CO 0.71 -1.65 2.00 -0.29 0.70 0.00 0.00 175.17 176.64 3kxp h ILE 157 N 2.01 1.04 0.00 2.11 2.10 -1.96 -0.81 117.51 122.00 3kxp h ILE 157 Ca -0.33 -0.22 -0.05 0.00 1.08 0.00 0.00 64.86 65.34 3kxp h ILE 157 Cb 1.25 0.33 -0.01 0.00 -1.09 0.00 0.00 36.82 37.30 3kxp h ILE 157 CO 0.42 0.12 -0.22 0.11 -1.08 0.00 0.00 178.15 177.50 3kxp h LYS 158 N 0.65 0.00 -0.02 2.19 1.57 -1.99 0.14 116.57 119.12 3kxp h LYS 158 Ca 0.25 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.86 3kxp h LYS 158 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3kxp h LYS 158 CO -0.07 0.22 -0.75 0.00 -0.57 0.00 0.00 179.45 178.28 3kxp h ALA 159 N 1.78 0.71 -0.32 3.86 0.00 -1.57 -2.10 119.26 121.62 3kxp h ALA 159 Ca -0.00 -0.65 -0.17 0.00 0.00 0.00 0.00 54.91 54.08 3kxp h ALA 159 Cb 0.40 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3kxp h ALA 159 CO 0.03 0.86 -0.48 0.28 0.00 0.00 0.00 179.25 179.94 3kxp h VAL 160 N 0.09 1.28 -0.34 0.00 2.07 -0.75 -2.16 116.25 116.43 3kxp h VAL 160 Ca -0.02 -1.66 -0.05 0.00 0.82 0.00 0.00 66.70 65.79 3kxp h VAL 160 Cb 1.32 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 3kxp h VAL 160 CO 0.11 0.55 0.02 -0.33 0.02 0.00 0.00 177.57 177.93 3kxp h GLU 161 N 0.69 0.58 -0.00 1.57 5.08 -0.96 -0.74 114.58 120.80 3kxp h GLU 161 Ca 0.03 -0.18 0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3kxp h GLU 161 Cb 1.08 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 3kxp h GLU 161 CO 0.11 0.70 -0.19 0.00 -1.00 0.00 0.00 179.01 178.62 3kxp h ALA 162 N 0.87 -0.24 -0.79 3.43 0.00 -1.34 0.16 119.26 121.35 3kxp h ALA 162 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3kxp h ALA 162 Cb 0.42 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 3kxp h ALA 162 CO 0.01 -0.69 0.52 -0.92 0.00 0.00 0.00 179.25 178.17 3kxp h TYR 163 N -0.31 0.91 -0.00 0.00 3.20 -1.26 -2.02 116.97 117.48 3kxp h TYR 163 Ca 0.06 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.76 3kxp h TYR 163 Cb 0.39 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 3kxp h TYR 163 CO -0.24 0.51 -0.86 -0.07 -1.64 0.00 0.00 178.16 175.86 3kxp h LEU 164 N 0.93 0.24 -0.71 2.82 3.38 -0.54 -2.07 115.31 119.36 3kxp h LEU 164 Ca 0.32 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 3kxp h LEU 164 Cb 0.11 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3kxp h LEU 164 CO -0.10 0.99 0.06 0.00 0.09 0.00 0.00 178.44 179.48 3kxp h ALA 165 N 1.00 0.93 -0.24 1.53 0.00 -0.18 0.62 119.26 122.91 3kxp h ALA 165 Ca -0.04 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 3kxp h ALA 165 Cb 1.48 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3kxp h ALA 165 CO 0.13 0.66 -0.21 0.78 0.00 0.00 0.00 179.25 180.60 3kxp h GLY 166 N 1.03 0.62 1.94 0.00 0.00 -1.34 -2.48 103.07 102.83 3kxp h GLY 166 Ca 0.19 -0.62 -0.10 0.00 0.00 0.00 0.00 47.33 46.79 3kxp h GLY 166 CO 0.02 0.56 -0.46 -0.09 0.00 0.00 0.00 176.54 176.56 3kxp h ARG 167 N 0.28 0.07 -2.13 4.80 2.43 -1.21 -3.33 114.38 115.29 3kxp h ARG 167 Ca 0.04 -0.03 -0.57 0.00 -0.81 0.00 0.00 59.98 58.60 3kxp h ARG 167 Cb 0.76 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 29.90 3kxp h ARG 167 CO 0.05 0.52 -0.82 0.66 -1.51 0.00 0.00 179.97 178.87 3kxp n TYR 168 N -3.98 2.12 -0.29 2.20 4.02 0.19 -4.98 117.16 116.44 3kxp n TYR 168 Ca -0.02 -3.92 0.29 0.00 -0.01 0.00 0.00 57.90 54.25 3kxp n TYR 168 Cb 0.49 -0.47 0.66 0.00 -0.02 0.00 0.00 39.34 40.00 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 3.85 0.14 0.00 -0.72 0.13 -1.56 -1.95 132.00 131.88 3kxp h PRO 169 Ca 0.14 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3kxp h PRO 169 Cb 0.74 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3kxp h PRO 169 CO 0.68 0.09 -0.55 0.09 -0.23 0.00 0.00 178.00 178.09 3kxp n ASN 170 N -4.36 0.58 -4.71 1.44 3.02 -1.26 -4.87 115.26 105.10 3kxp n ASN 170 Ca 0.24 -0.01 -0.42 0.00 -0.03 0.00 0.00 54.58 54.35 3kxp n ASN 170 Cb 1.04 0.18 -0.03 0.00 -0.61 0.00 0.00 39.78 40.36 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 -3.09 4.00 0.54 2.41 1.01 -0.73 -4.81 121.20 120.53 3kxp s ILE 171 Ca 0.08 1.43 -0.22 0.00 0.00 0.00 0.00 60.65 61.95 3kxp s ILE 171 Cb 0.15 -3.92 -0.06 0.00 0.01 0.00 0.00 42.46 38.65 3kxp s ILE 171 CO 0.70 0.10 1.23 -2.65 0.00 0.00 0.00 174.94 174.32 3kxp n PRO 172 N 4.05 1.49 -0.31 2.79 -0.02 -1.26 -4.74 135.00 137.00 3kxp n PRO 172 Ca 0.09 0.55 0.14 0.00 -2.02 0.00 0.00 63.50 62.27 3kxp n PRO 172 Cb 0.46 -2.42 0.32 0.00 -0.02 0.00 0.00 33.50 31.85 3kxp n PRO 172 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kxp h ALA 173 N 1.27 1.46 -0.74 3.55 0.00 -1.98 -1.13 119.26 121.69 3kxp h ALA 173 Ca -0.49 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 3kxp h ALA 173 Cb 1.32 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 3kxp h ALA 173 CO 0.56 -0.40 0.24 0.38 0.00 0.00 0.00 179.25 180.03 3kxp h ASP 174 N 0.35 1.08 0.41 0.00 3.04 -1.99 -0.84 116.42 118.45 3kxp h ASP 174 Ca 0.58 -0.20 -0.14 0.00 -3.24 0.00 0.00 57.03 54.02 3kxp h ASP 174 Cb 1.15 -0.28 -0.01 0.00 -1.04 0.00 0.00 39.33 39.14 3kxp h ASP 174 CO -0.57 1.00 -0.61 0.00 -2.04 0.00 0.00 179.24 177.02 3kxp h ALA 175 N 1.14 0.86 -0.22 4.15 0.00 -1.60 -1.49 119.26 122.11 3kxp h ALA 175 Ca 0.24 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3kxp h ALA 175 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3kxp h ALA 175 CO -0.01 0.74 0.08 0.82 0.00 0.00 0.00 179.25 180.88 3kxp h ILE 176 N 0.15 1.18 -0.41 0.00 1.08 -0.95 -1.97 117.51 116.59 3kxp h ILE 176 Ca -0.01 -0.54 0.05 0.00 -0.39 0.00 0.00 64.86 63.97 3kxp h ILE 176 Cb 1.11 1.12 -0.04 0.00 -3.07 0.00 0.00 36.82 35.94 3kxp h ILE 176 CO 0.09 0.18 0.15 -0.09 -0.69 0.00 0.00 178.15 177.79 3kxp h ARG 177 N 0.20 0.31 -0.74 2.37 9.65 -0.95 -0.01 114.38 125.20 3kxp h ARG 177 Ca 0.07 -0.02 0.08 0.00 -1.10 0.00 0.00 59.98 59.01 3kxp h ARG 177 Cb 0.20 -0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 28.64 3kxp h ARG 177 CO -0.00 0.21 0.41 0.82 2.80 0.00 0.00 179.97 184.20 3kxp h ILE 178 N 0.32 0.93 -0.41 1.20 2.04 -1.04 -0.32 117.51 120.23 3kxp h ILE 178 Ca 0.19 -0.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.72 3kxp h ILE 178 Cb 0.16 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 3kxp h ILE 178 CO -0.18 0.13 -0.08 0.03 0.00 0.00 0.00 178.15 178.05 3kxp h ARG 179 N 0.72 0.70 -0.24 2.37 3.08 -0.52 -2.09 114.38 118.40 3kxp h ARG 179 Ca 0.35 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 3kxp h ARG 179 Cb 0.28 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3kxp h ARG 179 CO -0.22 0.77 -0.03 0.00 -1.07 0.00 0.00 179.97 179.42 3kxp h ALA 180 N 1.26 0.33 0.00 0.04 0.00 0.12 -1.24 119.26 119.78 3kxp h ALA 180 Ca 0.12 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 3kxp h ALA 180 Cb 0.52 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3kxp h ALA 180 CO 0.03 0.10 -0.46 0.93 0.00 0.00 0.00 179.25 179.85 3kxp h GLU 181 N 0.21 0.00 0.00 0.00 5.08 -1.05 -3.32 114.58 115.50 3kxp h GLU 181 Ca 0.07 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 3kxp h GLU 181 Cb 0.47 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3kxp h GLU 181 CO 0.02 0.46 -1.81 -1.13 -1.00 0.00 0.00 179.01 175.55 3kxp n SER 182 N -3.72 1.43 -0.74 1.42 3.41 -0.79 -4.58 113.62 110.05 3kxp n SER 182 Ca -0.01 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.73 3kxp n SER 182 Cb 0.53 1.43 0.25 0.00 -0.26 0.00 0.00 64.21 66.16 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 1.78 0.53 3.13 5.00 0.00 -0.47 -4.92 105.19 110.24 3kxp n GLY 183 Ca -0.10 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.05 1.38 0.10 1.61 1.51 -1.25 -0.62 117.35 118.03 3kxp s TYR 184 Ca 0.31 -0.26 0.09 0.00 -1.01 0.00 0.00 57.07 56.20 3kxp s TYR 184 Cb 0.20 -0.89 -0.04 0.00 -0.11 0.00 0.00 41.96 41.12 3kxp s TYR 184 CO 0.34 -0.02 -0.20 1.14 -1.11 0.00 0.00 175.55 175.70 3kxp s GLN 185 N -0.36 1.76 0.09 -0.62 -2.07 -0.19 -4.88 119.66 113.38 3kxp s GLN 185 Ca 0.06 -1.18 -0.31 0.00 -1.82 0.00 0.00 55.36 52.11 3kxp s GLN 185 Cb -0.06 -2.08 -0.06 0.00 -1.09 0.00 0.00 33.01 29.72 3kxp s GLN 185 CO -0.01 0.48 1.24 -1.25 -1.32 0.00 0.00 175.29 174.44 3kxp s PRO 186 N -1.98 4.41 0.34 9.60 0.04 -1.26 -1.01 135.00 145.14 3kxp s PRO 186 Ca 0.16 1.85 0.04 0.00 0.04 0.00 0.00 61.00 63.10 3kxp s PRO 186 Cb -0.10 -3.31 -0.03 0.00 0.04 0.00 0.00 34.50 31.09 3kxp s PRO 186 CO 0.08 -0.28 0.16 0.54 0.04 0.00 0.00 177.00 177.54 3kxp s VAL 187 N 0.94 0.44 -0.65 -0.36 0.11 0.38 -4.92 120.40 116.34 3kxp s VAL 187 Ca 0.59 -2.00 -0.26 0.00 -2.93 0.00 0.00 61.98 57.39 3kxp s VAL 187 Cb -0.32 -2.48 -0.11 0.00 -1.53 0.00 0.00 36.38 31.95 3kxp s VAL 187 CO 0.30 0.00 2.42 -0.67 -3.33 0.00 0.00 175.10 173.83 3kxp n ASP 188 N -1.10 1.92 0.00 3.54 4.64 -1.26 -1.06 116.55 123.23 3kxp n ASP 188 Ca -0.01 -0.89 0.00 0.00 -1.38 0.00 0.00 54.79 52.51 3kxp n ASP 188 Cb 0.65 -1.56 0.00 0.00 -1.04 0.00 0.00 41.12 39.16 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 6.34 1.78 0.00 0.27 0.00 -1.26 -5.04 105.19 107.28 3kxp n GLY 189 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 0.19 3.89 -0.02 0.00 -0.22 -4.73 105.19 104.29 3kxp n GLY 190 Ca 0.00 -1.22 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 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 4.16 -0.07 0.99 2.01 0.26 0.14 118.68 126.17 3kxp s LEU 191 Ca 0.00 0.80 -0.07 0.00 0.01 0.00 0.00 54.13 54.88 3kxp s LEU 191 Cb 0.00 -3.57 0.02 0.00 0.01 0.00 0.00 46.19 42.65 3kxp s LEU 191 CO 0.00 -0.07 0.19 -0.60 1.01 0.00 0.00 176.35 176.88 3kxp s ARG 192 N -2.95 0.22 0.28 1.70 3.52 -0.18 -1.39 118.95 120.15 3kxp s ARG 192 Ca 0.45 0.28 -0.30 0.00 -0.13 0.00 0.00 55.73 56.03 3kxp s ARG 192 Cb -0.11 0.10 -0.13 0.00 -1.56 0.00 0.00 34.95 33.24 3kxp s ARG 192 CO 0.24 -0.03 1.27 -2.30 -0.81 0.00 0.00 175.30 173.67 3kxp n PRO 193 N 3.03 1.86 -0.09 5.12 -0.02 -1.26 -1.03 135.00 142.62 3kxp n PRO 193 Ca -0.13 0.66 -0.08 0.00 -2.02 0.00 0.00 63.50 61.92 3kxp n PRO 193 Cb 0.58 -2.22 0.07 0.00 -0.02 0.00 0.00 33.50 31.91 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 3.18 0.80 -9.75 2.45 3.38 -1.21 -3.45 115.31 110.71 3kxp h LEU 194 Ca -0.44 -0.31 -0.56 0.00 0.09 0.00 0.00 57.88 56.66 3kxp h LEU 194 Cb 1.30 -0.22 0.10 0.00 0.09 0.00 0.00 40.66 41.93 3kxp h LEU 194 CO 0.68 1.02 0.61 0.00 0.09 0.00 0.00 178.44 180.84 3kxp n ALA 195 N -2.51 1.57 -2.51 1.53 0.00 -1.26 -4.64 120.51 112.69 3kxp n ALA 195 Ca -0.00 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.38 3kxp n ALA 195 Cb 0.46 -2.31 -0.02 0.00 0.00 0.00 0.00 19.45 17.58 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 -0.09 7.05 0.35 0.00 0.15 -0.71 -4.93 113.70 115.51 3kxp s SER 196 Ca 0.58 1.66 0.02 0.00 0.70 0.00 0.00 55.95 58.92 3kxp s SER 196 Cb -0.56 -2.55 0.63 0.00 -1.71 0.00 0.00 66.02 61.83 3kxp s SER 196 CO 0.59 -0.65 1.99 0.77 1.20 0.00 0.00 173.24 177.14 3kxp h SER 197 N 7.68 0.69 -0.29 5.45 4.64 -1.91 -1.64 113.55 128.17 3kxp h SER 197 Ca -0.28 -0.04 -0.10 0.00 -0.47 0.00 0.00 61.79 60.90 3kxp h SER 197 Cb 1.12 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.02 3kxp h SER 197 CO 0.93 0.54 -0.17 0.00 -0.87 0.00 0.00 176.83 177.26 3kxp h ALA 198 N 1.58 0.97 0.00 5.18 0.00 -1.98 -1.85 119.26 123.16 3kxp h ALA 198 Ca 0.21 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3kxp h ALA 198 Cb -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3kxp h ALA 198 CO -0.04 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.81 3kxp n ALA 199 N -2.49 1.65 0.00 0.00 0.00 -0.62 -2.47 120.51 116.58 3kxp n ALA 199 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3kxp n ALA 199 Cb 0.39 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 0.56 0.00 -0.05 0.00 0.00 -0.70 -0.92 120.51 119.41 3kxp n ALA 201 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3kxp n ALA 201 Cb 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.56 3kxp n ALA 201 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3kxp h GLN 202 N 0.00 0.76 -0.40 0.00 4.20 -1.76 -2.39 115.11 115.53 3kxp h GLN 202 Ca 0.00 -0.50 -0.04 0.00 0.06 0.00 0.00 58.65 58.17 3kxp h GLN 202 Cb 0.00 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 3kxp h GLN 202 CO 0.00 1.12 0.10 1.15 -0.67 0.00 0.00 178.83 180.54 3kxp h THR 203 N 0.58 1.23 -0.52 -0.54 2.02 -1.22 0.51 112.91 114.97 3kxp h THR 203 Ca 0.01 -0.77 0.05 0.00 0.77 0.00 0.00 66.41 66.46 3kxp h THR 203 Cb 1.16 0.96 -0.05 0.00 -1.74 0.00 0.00 68.15 68.49 3kxp h THR 203 CO 0.12 0.27 0.26 0.00 0.37 0.00 0.00 175.52 176.54 3kxp h ALA 204 N 0.95 0.66 -0.43 6.16 0.00 -1.79 -0.48 119.26 124.33 3kxp h ALA 204 Ca 0.13 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3kxp h ALA 204 Cb 0.30 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3kxp h ALA 204 CO 0.00 -0.08 0.26 -0.09 0.00 0.00 0.00 179.25 179.34 3kxp h ARG 205 N 0.51 0.51 0.00 0.00 2.43 -1.00 -1.90 114.38 114.93 3kxp h ARG 205 Ca 0.23 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 3kxp h ARG 205 Cb 0.14 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3kxp h ARG 205 CO -0.16 0.34 -0.00 0.78 -1.51 0.00 0.00 179.97 179.41 3kxp h GLY 206 N 0.53 0.00 2.00 2.80 0.00 0.19 -2.17 103.07 106.42 3kxp h GLY 206 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3kxp h GLY 206 CO -0.07 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.88 3kxp h LEU 207 N 0.00 0.00 -0.12 3.11 3.38 -0.27 -2.97 115.31 118.44 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 0.54 0.09 0.00 0.00 178.44 179.07 3kxp n ARG 208 N -2.59 0.14 -1.80 1.13 1.74 -0.81 -4.90 116.66 109.57 3kxp n ARG 208 Ca 0.01 0.19 -0.38 0.00 -0.77 0.00 0.00 57.85 56.90 3kxp n ARG 208 Cb 0.25 -1.69 0.05 0.00 -1.02 0.00 0.00 32.46 30.05 3kxp n ARG 208 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3kxp s SER 209 N -3.84 5.01 0.05 0.55 1.04 -1.12 -4.90 113.70 110.49 3kxp s SER 209 Ca 0.10 2.67 -0.30 0.00 0.48 0.00 0.00 55.95 58.89 3kxp s SER 209 Cb 0.14 -2.62 -0.09 0.00 0.10 0.00 0.00 66.02 63.54 3kxp s SER 209 CO 0.50 -1.73 1.85 -0.62 0.98 0.00 0.00 173.24 174.22 3kxp s ASP 210 N -1.20 6.49 0.00 7.02 2.15 -1.26 -4.89 116.67 124.98 3kxp s ASP 210 Ca 0.76 2.62 0.22 0.00 0.43 0.00 0.00 52.55 56.59 3kxp s ASP 210 Cb -0.38 -2.54 0.18 0.00 -0.30 0.00 0.00 42.92 39.87 3kxp s ASP 210 CO 0.43 -1.00 1.21 -0.11 -0.17 0.00 0.00 175.17 175.52 3kxp n LEU 211 N 6.72 2.85 -0.11 -1.34 7.94 -1.26 -4.55 117.00 127.25 3kxp n LEU 211 Ca 0.18 -1.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.03 3kxp n LEU 211 Cb 0.40 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.36 3kxp n LEU 211 CO 0.66 0.48 0.72 0.58 -1.11 0.00 0.00 177.39 178.72 3kxp h VAL 212 N 4.36 0.42 -0.64 1.96 2.07 -1.96 -2.27 116.25 120.19 3kxp h VAL 212 Ca 0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 3kxp h VAL 212 Cb 0.93 0.42 -0.10 0.00 -1.52 0.00 0.00 31.29 31.02 3kxp h VAL 212 CO 0.00 0.00 0.11 -0.65 0.02 0.00 0.00 177.57 177.05 3kxp h PRO 213 N -0.13 0.22 -0.26 1.57 0.11 -1.98 0.33 132.00 131.87 3kxp h PRO 213 Ca 0.19 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.31 3kxp h PRO 213 Cb 0.43 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 3kxp h PRO 213 CO -0.47 0.15 0.11 0.00 -0.21 0.00 0.00 178.00 177.57 3kxp h ALA 214 N 1.54 0.30 -0.04 -0.75 0.00 -1.73 0.16 119.26 118.74 3kxp h ALA 214 Ca 0.35 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.11 3kxp h ALA 214 Cb 0.55 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3kxp h ALA 214 CO -0.46 -0.30 -0.71 1.88 0.00 0.00 0.00 179.25 179.66 3kxp h TYR 215 N 0.24 0.32 -0.08 0.00 -1.99 -1.15 -1.87 116.97 112.43 3kxp h TYR 215 Ca 0.11 -0.14 -0.14 0.00 2.00 0.00 0.00 58.73 60.56 3kxp h TYR 215 Cb 0.06 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 38.73 3kxp h TYR 215 CO -0.11 0.87 -0.57 -0.09 -0.00 0.00 0.00 178.16 178.25 3kxp h ARG 216 N 0.16 0.26 -0.12 4.88 1.12 -0.07 -3.32 114.38 117.29 3kxp h ARG 216 Ca -0.02 -0.17 0.00 0.00 -1.11 0.00 0.00 59.98 58.68 3kxp h ARG 216 Cb 1.27 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 31.25 3kxp h ARG 216 CO 0.11 0.76 0.00 -0.25 -3.11 0.00 0.00 179.97 177.48 3kxp n ASP 217 N -3.90 2.62 -4.69 -3.80 8.00 0.55 -4.95 116.55 110.37 3kxp n ASP 217 Ca -0.02 -1.77 -0.42 0.00 0.71 0.00 0.00 54.79 53.29 3kxp n ASP 217 Cb 0.60 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 3kxp n ASP 217 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kxp s VAL 218 N -1.34 3.98 -2.30 2.53 0.11 -0.71 -4.84 120.40 117.83 3kxp s VAL 218 Ca 0.23 1.34 0.23 0.00 -2.93 0.00 0.00 61.98 60.85 3kxp s VAL 218 Cb 0.15 -3.86 0.05 0.00 -1.53 0.00 0.00 36.38 31.18 3kxp s VAL 218 CO 0.22 0.00 1.13 0.35 -3.33 0.00 0.00 175.10 173.47 3kxp n THR 219 N 4.61 0.00 -3.80 5.04 -2.24 -1.26 -4.95 114.28 111.68 3kxp n THR 219 Ca 0.12 -0.33 -0.25 0.00 -2.27 0.00 0.00 64.05 61.32 3kxp n THR 219 Cb 0.45 1.33 -0.03 0.00 -2.10 0.00 0.00 70.33 69.98 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 -2.33 3.47 0.27 -0.78 -0.14 -1.26 -5.04 119.74 113.92 3kxp s LYS 220 Ca 0.21 -0.52 -0.30 0.00 -1.36 0.00 0.00 55.97 54.00 3kxp s LYS 220 Cb 0.19 -2.87 -0.13 0.00 -1.68 0.00 0.00 37.83 33.34 3kxp s LYS 220 CO 0.49 0.41 1.43 -2.30 -0.76 0.00 0.00 175.35 174.63 3kxp n PRO 221 N -0.95 2.21 -3.85 -1.68 -0.02 -1.26 -4.84 135.00 124.61 3kxp n PRO 221 Ca -0.06 0.78 -0.23 0.00 -2.02 0.00 0.00 63.50 61.97 3kxp n PRO 221 Cb 0.55 -2.46 -0.17 0.00 -0.02 0.00 0.00 33.50 31.40 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 -0.23 0.45 -0.34 -1.45 1.01 -1.26 -0.29 120.40 118.29 3kxp s VAL 222 Ca 0.65 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 62.53 3kxp s VAL 222 Cb -0.60 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 3kxp s VAL 222 CO 0.52 0.26 0.33 -0.22 0.00 0.00 0.00 175.10 175.98 3kxp s LEU 223 N 1.75 4.45 -0.23 3.92 2.96 0.11 -4.06 118.68 127.58 3kxp s LEU 223 Ca 0.02 -0.28 -0.20 0.00 -0.22 0.00 0.00 54.13 53.45 3kxp s LEU 223 Cb -0.13 -2.28 -0.02 0.00 0.50 0.00 0.00 46.19 44.26 3kxp s LEU 223 CO -0.05 -0.30 0.62 -0.63 -1.32 0.00 0.00 176.35 174.68 3kxp s ILE 224 N 1.93 5.00 -0.12 6.68 1.01 -0.82 -0.50 121.20 134.39 3kxp s ILE 224 Ca 0.10 1.14 0.03 0.00 0.00 0.00 0.00 60.65 61.92 3kxp s ILE 224 Cb -0.17 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.37 3kxp s ILE 224 CO 0.11 0.06 -0.21 -0.69 0.00 0.00 0.00 174.94 174.21 3kxp s VAL 225 N 2.26 2.24 -0.01 2.92 1.01 -0.38 -1.20 120.40 127.23 3kxp s VAL 225 Ca 0.27 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.35 3kxp s VAL 225 Cb -0.16 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 3kxp s VAL 225 CO 0.09 0.55 -0.16 -0.60 0.00 0.00 0.00 175.10 174.98 3kxp s ARG 226 N 0.48 1.25 0.07 2.72 3.52 0.07 0.24 118.95 127.31 3kxp s ARG 226 Ca -0.14 -0.59 -0.29 0.00 -0.13 0.00 0.00 55.73 54.58 3kxp s ARG 226 Cb -0.17 -1.22 -0.05 0.00 -1.56 0.00 0.00 34.95 31.95 3kxp s ARG 226 CO 0.05 0.33 0.93 0.20 -0.81 0.00 0.00 175.30 176.01 3kxp s GLY 227 N -0.44 2.94 0.27 8.12 0.00 -1.26 -0.61 107.32 116.34 3kxp s GLY 227 Ca 0.06 0.52 -0.00 0.00 0.00 0.00 0.00 44.72 45.29 3kxp s GLY 227 CO -0.00 1.47 1.72 -2.09 0.00 0.00 0.00 173.10 174.20 3kxp h GLU 228 N 5.97 0.44 -0.56 2.90 4.81 -0.10 -2.01 114.58 126.04 3kxp h GLU 228 Ca -0.42 -0.03 -0.21 0.00 -0.13 0.00 0.00 59.36 58.57 3kxp h GLU 228 Cb 1.21 -0.10 -0.12 0.00 0.63 0.00 0.00 28.75 30.37 3kxp h GLU 228 CO 0.73 0.29 0.17 -1.13 -0.73 0.00 0.00 179.01 178.34 3kxp n SER 229 N -5.00 3.71 -4.67 1.04 3.41 -0.09 -4.93 113.62 107.10 3kxp n SER 229 Ca 0.18 -3.42 -0.44 0.00 -0.26 0.00 0.00 58.87 54.93 3kxp n SER 229 Cb 0.52 -0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 63.75 3kxp n SER 229 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3kxp n SER 230 N -0.70 3.93 -0.04 4.04 2.88 -0.76 -4.48 113.62 118.49 3kxp n SER 230 Ca 0.37 0.94 0.15 0.00 -1.33 0.00 0.00 58.87 59.00 3kxp n SER 230 Cb 1.22 -1.49 0.70 0.00 -0.75 0.00 0.00 64.21 63.89 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 6.74 0.49 -0.11 -1.46 5.02 -1.26 -3.88 118.16 123.70 3kxp n LYS 231 Ca 0.20 -0.07 -0.21 0.00 -2.02 0.00 0.00 58.31 56.21 3kxp n LYS 231 Cb 0.37 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.80 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 -1.19 1.90 -4.31 -0.35 -0.00 -1.26 -4.81 117.00 106.98 3kxp n LEU 232 Ca 0.14 0.41 -0.41 0.00 -0.00 0.00 0.00 56.01 56.15 3kxp n LEU 232 Cb 0.26 -0.87 -0.10 0.00 -0.00 0.00 0.00 43.42 42.71 3kxp n LEU 232 CO 0.24 0.20 -0.11 -0.69 -0.00 0.00 0.00 177.39 177.03 3kxp s VAL 233 N -2.48 4.41 0.67 1.96 1.01 -1.25 -4.72 120.40 120.01 3kxp s VAL 233 Ca -0.31 -1.20 -0.12 0.00 0.00 0.00 0.00 61.98 60.36 3kxp s VAL 233 Cb 0.08 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.84 3kxp s VAL 233 CO 0.48 -0.43 1.05 -0.94 0.00 0.00 0.00 175.10 175.27 3kxp s SER 234 N 1.98 5.55 0.36 3.32 1.04 -1.26 -4.53 113.70 120.16 3kxp s SER 234 Ca 0.03 1.62 0.04 0.00 0.48 0.00 0.00 55.95 58.11 3kxp s SER 234 Cb -0.22 -2.50 0.69 0.00 0.10 0.00 0.00 66.02 64.09 3kxp s SER 234 CO 0.04 -1.33 2.01 0.00 0.98 0.00 0.00 173.24 174.93 3kxp h ALA 235 N -0.50 1.60 -0.63 5.32 0.00 -1.91 -1.54 119.26 121.60 3kxp h ALA 235 Ca -0.44 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 3kxp h ALA 235 Cb 1.21 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3kxp h ALA 235 CO 0.57 0.35 0.29 0.00 0.00 0.00 0.00 179.25 180.46 3kxp h ALA 236 N 1.62 0.82 -0.71 0.00 0.00 -1.99 -0.25 119.26 118.75 3kxp h ALA 236 Ca 0.24 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3kxp h ALA 236 Cb -0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3kxp h ALA 236 CO -0.06 0.40 0.30 0.00 0.00 0.00 0.00 179.25 179.88 3kxp h ALA 237 N 1.12 0.92 -0.56 0.00 0.00 -1.60 -1.67 119.26 117.47 3kxp h ALA 237 Ca 0.21 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3kxp h ALA 237 Cb 0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3kxp h ALA 237 CO -0.02 0.53 -0.07 1.25 0.00 0.00 0.00 179.25 180.94 3kxp h LEU 238 N 1.01 1.03 -0.54 0.00 5.85 -0.99 -2.05 115.31 119.62 3kxp h LEU 238 Ca 0.24 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.64 3kxp h LEU 238 Cb 0.19 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3kxp h LEU 238 CO -0.02 1.11 0.36 0.00 -0.34 0.00 0.00 178.44 179.55 3kxp h ALA 239 N 0.98 0.69 -0.40 1.25 0.00 -0.72 -0.78 119.26 120.27 3kxp h ALA 239 Ca 0.15 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3kxp h ALA 239 Cb 0.63 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3kxp h ALA 239 CO 0.04 0.12 -0.12 0.87 0.00 0.00 0.00 179.25 180.16 3kxp h LYS 240 N 0.73 0.73 -0.67 0.00 1.57 -1.20 -1.89 116.57 115.84 3kxp h LYS 240 Ca 0.20 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 3kxp h LYS 240 Cb -0.08 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 3kxp h LYS 240 CO -0.04 0.82 0.22 1.15 -0.57 0.00 0.00 179.45 181.02 3kxp h THR 241 N 0.66 1.25 0.00 -0.16 2.02 -0.90 -1.89 112.91 113.89 3kxp h THR 241 Ca 0.11 -0.85 -0.08 0.00 0.77 0.00 0.00 66.41 66.36 3kxp h THR 241 Cb 0.58 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 3kxp h THR 241 CO 0.04 0.33 -0.39 0.28 0.37 0.00 0.00 175.52 176.15 3kxp h SER 242 N 0.97 0.00 0.90 4.18 0.02 -0.84 -0.44 113.55 118.33 3kxp h SER 242 Ca 0.22 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.07 3kxp h SER 242 Cb 0.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3kxp h SER 242 CO -0.01 0.39 -0.45 -0.09 -1.14 0.00 0.00 176.83 175.52 3kxp h ARG 243 N 0.00 0.00 0.08 3.45 2.43 -0.90 0.28 114.38 119.72 3kxp h ARG 243 Ca -0.00 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.93 3kxp h ARG 243 Cb 0.75 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.32 3kxp h ARG 243 CO 0.05 0.45 -0.97 1.25 -1.51 0.00 0.00 179.97 179.25 3kxp h LEU 244 N 0.00 0.70 -6.22 3.80 5.85 -0.59 -3.40 115.31 115.46 3kxp h LEU 244 Ca -0.00 -0.83 -0.58 0.00 0.84 0.00 0.00 57.88 57.31 3kxp h LEU 244 Cb 1.02 -0.22 -0.39 0.00 0.37 0.00 0.00 40.66 41.44 3kxp h LEU 244 CO 0.06 1.46 -0.95 0.54 -0.34 0.00 0.00 178.44 179.21 3kxp n ARG 245 N -3.99 0.96 0.31 1.25 5.12 -0.25 -4.96 116.66 115.10 3kxp n ARG 245 Ca -0.13 -3.55 0.18 0.00 -1.93 0.00 0.00 57.85 52.43 3kxp n ARG 245 Cb 0.86 -1.59 1.03 0.00 -1.16 0.00 0.00 32.46 31.59 3kxp n ARG 245 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3kxp h PRO 246 N 4.59 0.00 0.00 5.56 0.13 -0.66 -2.16 132.00 139.46 3kxp h PRO 246 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3kxp h PRO 246 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3kxp h PRO 246 CO 0.52 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.89 3kxp n ASP 247 N -3.52 0.72 -4.64 1.44 3.85 -1.26 -4.76 116.55 108.37 3kxp n ASP 247 Ca -0.03 0.63 -0.43 0.00 -0.71 0.00 0.00 54.79 54.25 3kxp n ASP 247 Cb 0.10 -0.80 -0.03 0.00 -1.35 0.00 0.00 41.12 39.05 3kxp n ASP 247 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 3kxp s LEU 248 N -4.48 4.02 0.32 -2.12 1.43 -0.81 -5.00 118.68 112.03 3kxp s LEU 248 Ca 0.07 1.07 -0.29 0.00 -1.03 0.00 0.00 54.13 53.96 3kxp s LEU 248 Cb 0.11 -3.43 -0.13 0.00 0.03 0.00 0.00 46.19 42.77 3kxp s LEU 248 CO 0.48 -0.74 1.27 -0.81 0.23 0.00 0.00 176.35 176.77 3kxp n PRO 249 N 6.53 1.99 -4.61 1.29 -0.04 -1.26 -4.81 135.00 134.09 3kxp n PRO 249 Ca 0.10 0.70 -0.28 0.00 -0.04 0.00 0.00 63.50 63.98 3kxp n PRO 249 Cb 0.47 -2.26 -0.14 0.00 -0.04 0.00 0.00 33.50 31.53 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 -0.92 1.97 -0.04 0.52 1.01 -1.26 -1.94 120.40 119.75 3kxp s VAL 250 Ca 0.58 -1.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 3kxp s VAL 250 Cb -0.60 -1.73 0.03 0.00 0.00 0.00 0.00 36.38 34.08 3kxp s VAL 250 CO 0.60 0.19 0.04 -0.69 0.00 0.00 0.00 175.10 175.24 3kxp s VAL 251 N -0.92 -0.02 -0.24 2.92 1.01 -0.34 -4.98 120.40 117.82 3kxp s VAL 251 Ca 0.10 0.33 -0.03 0.00 0.00 0.00 0.00 61.98 62.39 3kxp s VAL 251 Cb -0.10 -0.19 0.01 0.00 0.00 0.00 0.00 36.38 36.11 3kxp s VAL 251 CO 0.03 0.17 -0.05 -0.69 0.00 0.00 0.00 175.10 174.56 3kxp s VAL 252 N 1.86 3.09 -0.40 2.92 1.01 -1.26 -0.75 120.40 126.88 3kxp s VAL 252 Ca 0.01 -0.83 -0.23 0.00 0.00 0.00 0.00 61.98 60.93 3kxp s VAL 252 Cb -0.12 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 33.76 3kxp s VAL 252 CO -0.03 0.27 0.80 -0.69 0.00 0.00 0.00 175.10 175.45 3kxp s VAL 253 N 1.39 4.68 0.36 2.92 1.01 0.22 -4.86 120.40 126.12 3kxp s VAL 253 Ca 0.02 0.76 -0.28 0.00 0.00 0.00 0.00 61.98 62.48 3kxp s VAL 253 Cb -0.16 -4.26 -0.11 0.00 0.00 0.00 0.00 36.38 31.85 3kxp s VAL 253 CO -0.04 -0.55 1.42 -2.84 0.00 0.00 0.00 175.10 173.09 3kxp s PRO 254 N 3.22 4.20 0.00 2.72 0.02 -1.26 -1.72 135.00 142.19 3kxp s PRO 254 Ca 0.32 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.77 3kxp s PRO 254 Cb -0.13 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.39 3kxp s PRO 254 CO 0.19 -0.40 0.00 0.41 -0.33 0.00 0.00 177.00 176.87 3kxp n GLY 255 N 0.61 1.67 3.73 0.52 0.00 -1.26 -4.92 105.19 105.54 3kxp n GLY 255 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.32 3.48 0.11 4.61 0.00 -1.05 -4.95 121.76 120.65 3kxp s ALA 256 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.21 3kxp s ALA 256 Cb 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.43 3kxp s ALA 256 CO 0.00 0.53 0.00 -0.40 0.00 0.00 0.00 175.76 175.89 3kxp n ASP 257 N 2.31 0.00 0.10 0.00 3.85 -1.26 -0.83 116.55 120.73 3kxp n ASP 257 Ca -0.19 0.00 0.06 0.00 -0.71 0.00 0.00 54.79 53.95 3kxp n ASP 257 Cb 0.54 0.00 0.52 0.00 -1.35 0.00 0.00 41.12 40.83 3kxp n ASP 257 CO 0.00 0.00 0.00 -0.74 -1.01 0.00 0.00 177.20 175.45 3kxp h HIS 258 N 0.00 0.30 -1.30 2.11 -0.00 -1.88 -3.29 115.15 111.09 3kxp h HIS 258 Ca 0.00 0.01 -0.75 0.00 -0.00 0.00 0.00 60.37 59.63 3kxp h HIS 258 Cb 0.00 -0.10 -0.14 0.00 -0.00 0.00 0.00 27.41 27.17 3kxp h HIS 258 CO 0.00 0.19 2.20 0.66 -0.00 0.00 0.00 177.93 180.98 3kxp n TYR 259 N -4.50 2.73 0.18 5.26 4.01 -1.26 -4.83 117.16 118.75 3kxp n TYR 259 Ca 0.01 -2.80 -0.14 0.00 -0.16 0.00 0.00 57.90 54.81 3kxp n TYR 259 Cb 0.08 -1.87 -0.07 0.00 -0.31 0.00 0.00 39.34 37.18 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 3.14 0.44 0.00 -0.72 2.07 -1.93 -0.18 116.25 119.06 3kxp h VAL 260 Ca 0.55 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 68.05 3kxp h VAL 260 Cb 0.46 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3kxp h VAL 260 CO 1.55 0.00 -0.10 -0.55 0.02 0.00 0.00 177.57 178.48 3kxp h ASN 261 N -0.57 0.00 0.45 0.57 -0.00 -1.88 -0.60 115.58 113.55 3kxp h ASN 261 Ca -0.01 0.00 -0.30 0.00 -0.00 0.00 0.00 56.30 55.99 3kxp h ASN 261 Cb 0.52 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.82 3kxp h ASN 261 CO -0.05 0.10 -1.61 -0.33 -0.00 0.00 0.00 177.43 175.54 3kxp h GLU 262 N 0.00 0.16 0.00 4.14 5.08 -1.90 -3.24 114.58 118.82 3kxp h GLU 262 Ca -0.00 -0.28 -0.23 0.00 -1.00 0.00 0.00 59.36 57.85 3kxp h GLU 262 Cb 0.22 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3kxp h GLU 262 CO 0.01 0.95 -1.16 0.28 -1.00 0.00 0.00 179.01 178.09 3kxp h VAL 263 N 0.04 1.48 -2.14 3.13 2.07 -0.83 -3.40 116.25 116.61 3kxp h VAL 263 Ca -0.27 -3.22 -0.57 0.00 0.82 0.00 0.00 66.70 63.46 3kxp h VAL 263 Cb 2.00 2.73 -0.40 0.00 -1.52 0.00 0.00 31.29 34.10 3kxp h VAL 263 CO 0.12 0.85 -0.97 -1.20 0.02 0.00 0.00 177.57 176.39 3kxp n SER 264 N -3.27 0.85 -0.24 0.57 7.64 -0.25 -4.97 113.62 113.96 3kxp n SER 264 Ca -0.04 -2.80 -0.03 0.00 1.01 0.00 0.00 58.87 57.01 3kxp n SER 264 Cb 0.96 -0.64 0.15 0.00 -1.01 0.00 0.00 64.21 63.68 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 4.34 1.06 -0.14 1.43 0.13 -1.74 -1.66 132.00 135.42 3kxp h PRO 265 Ca 0.13 -0.15 -0.03 0.00 -0.87 0.00 0.00 66.00 65.09 3kxp h PRO 265 Cb 0.84 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 31.77 3kxp h PRO 265 CO 0.53 0.82 -0.01 0.93 -0.23 0.00 0.00 178.00 180.03 3kxp h GLU 266 N 1.05 0.26 -0.37 0.86 4.39 -1.93 -0.36 114.58 118.47 3kxp h GLU 266 Ca 0.26 -0.09 -0.09 0.00 0.34 0.00 0.00 59.36 59.78 3kxp h GLU 266 Cb 0.11 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 3kxp h GLU 266 CO -0.03 0.51 -0.12 0.82 -1.16 0.00 0.00 179.01 179.02 3kxp h ILE 267 N -0.02 1.28 -0.02 3.13 2.04 -1.97 -2.01 117.51 119.95 3kxp h ILE 267 Ca 0.04 -1.22 0.03 0.00 1.00 0.00 0.00 64.86 64.71 3kxp h ILE 267 Cb 0.40 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 3kxp h ILE 267 CO 0.01 0.40 -0.19 0.74 0.00 0.00 0.00 178.15 179.11 3kxp h THR 268 N 0.53 0.54 -0.50 -0.27 2.02 -1.26 -0.11 112.91 113.87 3kxp h THR 268 Ca 0.09 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.32 3kxp h THR 268 Cb 0.65 0.54 -0.05 0.00 -1.74 0.00 0.00 68.15 67.55 3kxp h THR 268 CO 0.04 0.00 0.24 0.25 0.37 0.00 0.00 175.52 176.43 3kxp h LEU 269 N -0.30 0.34 -1.25 2.58 5.85 -1.00 -1.80 115.31 119.74 3kxp h LEU 269 Ca 0.06 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3kxp h LEU 269 Cb 0.38 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3kxp h LEU 269 CO -0.19 0.24 0.24 0.50 -0.34 0.00 0.00 178.44 178.88 3kxp h LYS 270 N 0.48 0.76 -0.46 1.25 3.11 -0.93 -1.58 116.57 119.20 3kxp h LYS 270 Ca 0.22 -0.10 -0.12 0.00 -2.81 0.00 0.00 60.65 57.85 3kxp h LYS 270 Cb 0.15 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 31.22 3kxp h LYS 270 CO -0.17 0.61 -0.18 0.00 -2.81 0.00 0.00 179.45 176.90 3kxp h ALA 271 N 1.51 0.64 -0.25 5.00 0.00 -0.48 -1.07 119.26 124.60 3kxp h ALA 271 Ca 0.19 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3kxp h ALA 271 Cb 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3kxp h ALA 271 CO -0.02 0.60 0.07 0.82 0.00 0.00 0.00 179.25 180.71 3kxp h ILE 272 N 0.78 1.21 -0.11 0.00 2.04 -0.91 -2.07 117.51 118.44 3kxp h ILE 272 Ca 0.11 -0.67 -0.09 0.00 1.00 0.00 0.00 64.86 65.20 3kxp h ILE 272 Cb 0.75 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 3kxp h ILE 272 CO 0.06 0.22 -0.35 0.71 0.00 0.00 0.00 178.15 178.79 3kxp h THR 273 N 0.23 1.28 -0.30 -0.27 1.35 -1.24 -0.97 112.91 112.99 3kxp h THR 273 Ca 0.08 -1.35 -0.08 0.00 -0.55 0.00 0.00 66.41 64.51 3kxp h THR 273 Cb 0.27 1.58 -0.02 0.00 -1.73 0.00 0.00 68.15 68.26 3kxp h THR 273 CO -0.00 0.41 -0.15 0.78 -0.25 0.00 0.00 175.52 176.30 3kxp h ASN 274 N 0.19 0.52 0.37 5.36 2.35 -1.04 -1.62 115.58 121.72 3kxp h ASN 274 Ca 0.02 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.61 3kxp h ASN 274 Cb 0.71 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.95 3kxp h ASN 274 CO 0.05 0.70 -0.18 0.15 -1.65 0.00 0.00 177.43 176.50 3kxp h PHE 275 N 0.49 -0.46 0.00 1.19 -0.00 -0.81 -3.16 116.94 114.19 3kxp h PHE 275 Ca 0.09 -0.01 0.00 0.00 -0.00 0.00 0.00 57.97 58.04 3kxp h PHE 275 Cb 0.55 0.15 0.00 0.00 -0.00 0.00 0.00 35.95 36.65 3kxp h PHE 275 CO 0.02 -0.21 0.00 -0.84 -0.00 0.00 0.00 178.31 177.28 3kxp h ILE 276 N -1.08 0.00 -0.01 1.41 3.07 -1.26 -3.25 117.51 116.40 3kxp h ILE 276 Ca -0.05 -0.73 0.00 0.00 1.55 0.00 0.00 64.86 65.63 3kxp h ILE 276 Cb 0.46 1.71 0.00 0.00 -0.27 0.00 0.00 36.82 38.73 3kxp h ILE 276 CO 0.08 0.00 -0.65 0.47 -1.05 0.00 0.00 178.15 177.00 3kxp n ASP 277 N -2.96 1.23 0.00 2.16 8.00 -0.61 -5.09 116.55 119.28 3kxp n ASP 277 Ca 0.03 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.51 3kxp n ASP 277 Cb 0.42 0.59 0.00 0.00 -0.02 0.00 0.00 41.12 42.11 3kxp n ASP 277 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81