#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 3.34 -0.28 -1.40 0.40 -1.26 -4.93 117.98 113.85 3kxp s PHE 12 Ca 0.00 0.10 -0.11 0.00 -0.60 0.00 0.00 56.93 56.32 3kxp s PHE 12 Cb 0.00 -1.64 -0.05 0.00 0.51 0.00 0.00 43.02 41.85 3kxp s PHE 12 CO 0.00 0.53 0.21 0.42 0.70 0.00 0.00 175.22 177.08 3kxp s ILE 13 N -1.62 5.30 -0.07 0.64 1.09 -0.01 -4.84 121.20 121.70 3kxp s ILE 13 Ca 0.33 0.22 -0.09 0.00 -1.10 0.00 0.00 60.65 60.00 3kxp s ILE 13 Cb -0.11 -3.55 -0.05 0.00 -1.06 0.00 0.00 42.46 37.69 3kxp s ILE 13 CO 0.26 0.25 0.23 -0.44 -0.10 0.00 0.00 174.94 175.13 3kxp s SER 14 N 1.69 6.51 -0.17 3.58 0.01 -1.26 -0.56 113.70 123.50 3kxp s SER 14 Ca 0.08 0.61 -0.27 0.00 1.31 0.00 0.00 55.95 57.67 3kxp s SER 14 Cb -0.16 -2.12 0.07 0.00 0.21 0.00 0.00 66.02 64.02 3kxp s SER 14 CO 0.10 0.36 0.70 0.00 0.41 0.00 0.00 173.24 174.81 3kxp s ARG 15 N -1.19 0.93 -0.06 12.44 1.70 -0.39 -4.97 118.95 127.40 3kxp s ARG 15 Ca 0.20 0.67 -0.26 0.00 -0.47 0.00 0.00 55.73 55.87 3kxp s ARG 15 Cb -0.13 0.44 -0.03 0.00 -0.57 0.00 0.00 34.95 34.66 3kxp s ARG 15 CO 0.09 -0.20 0.80 1.03 -1.08 0.00 0.00 175.30 175.94 3kxp s ARG 16 N -0.30 4.45 -0.17 3.89 0.52 -1.26 -1.33 118.95 124.75 3kxp s ARG 16 Ca -0.05 1.06 -0.03 0.00 -0.52 0.00 0.00 55.73 56.20 3kxp s ARG 16 Cb -0.03 -3.47 -0.02 0.00 0.52 0.00 0.00 34.95 31.95 3kxp s ARG 16 CO 0.05 -0.03 -0.06 0.08 0.02 0.00 0.00 175.30 175.36 3kxp s VAL 17 N 1.07 3.51 -0.32 3.52 1.01 0.21 -4.90 120.40 124.50 3kxp s VAL 17 Ca 0.42 -0.48 -0.21 0.00 0.00 0.00 0.00 61.98 61.71 3kxp s VAL 17 Cb -0.18 -2.54 -0.00 0.00 0.00 0.00 0.00 36.38 33.65 3kxp s VAL 17 CO 0.20 0.47 0.67 -0.62 0.00 0.00 0.00 175.10 175.82 3kxp s ASP 18 N 0.77 6.51 -0.23 3.32 3.68 -1.26 -0.69 116.67 128.78 3kxp s ASP 18 Ca -0.02 0.39 0.14 0.00 2.13 0.00 0.00 52.55 55.19 3kxp s ASP 18 Cb -0.15 -2.35 0.65 0.00 -1.45 0.00 0.00 42.92 39.63 3kxp s ASP 18 CO 0.02 -0.55 1.58 2.30 0.13 0.00 0.00 175.17 178.65 3kxp n ILE 19 N 5.50 2.55 0.00 4.11 -5.35 0.02 -4.99 119.36 121.19 3kxp n ILE 19 Ca 0.00 -1.76 0.00 0.00 -0.27 0.00 0.00 62.75 60.72 3kxp n ILE 19 Cb 0.49 -0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.10 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 -0.15 2.03 0.22 3.28 0.00 -1.26 -4.53 105.19 104.79 3kxp n GLY 20 Ca 0.27 -0.39 0.06 0.00 0.00 0.00 0.00 46.02 45.95 3kxp n GLY 20 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3kxp h ARG 21 N 0.00 0.00 -2.24 1.61 0.11 -2.00 -3.46 114.38 108.40 3kxp h ARG 21 Ca 0.00 0.00 0.19 0.00 0.10 0.00 0.00 59.98 60.27 3kxp h ARG 21 Cb 0.00 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 30.99 3kxp h ARG 21 CO 0.00 0.21 0.52 -1.50 0.10 0.00 0.00 179.97 179.30 3kxp s ILE 22 N -4.51 0.00 -0.13 0.08 2.07 -1.26 -5.16 121.20 112.28 3kxp s ILE 22 Ca -0.04 -0.57 -0.00 0.00 -1.41 0.00 0.00 60.65 58.63 3kxp s ILE 22 Cb 0.15 -1.92 -0.01 0.00 0.13 0.00 0.00 42.46 40.81 3kxp s ILE 22 CO 0.69 0.00 -0.13 -0.89 -1.91 0.00 0.00 174.94 172.70 3kxp s THR 23 N -3.18 3.08 0.02 4.00 2.01 -1.26 -0.80 115.64 119.51 3kxp s THR 23 Ca 0.12 -0.65 0.08 0.00 0.31 0.00 0.00 61.69 61.55 3kxp s THR 23 Cb -0.01 -2.30 -0.02 0.00 0.01 0.00 0.00 72.50 70.18 3kxp s THR 23 CO 0.01 0.52 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.47 3kxp s LEU 24 N 0.38 2.12 0.12 4.42 1.43 0.13 -1.06 118.68 126.22 3kxp s LEU 24 Ca -0.10 -0.50 -0.24 0.00 -1.03 0.00 0.00 54.13 52.25 3kxp s LEU 24 Cb -0.16 -1.15 -0.07 0.00 0.03 0.00 0.00 46.19 44.84 3kxp s LEU 24 CO 0.05 0.24 0.75 0.21 0.23 0.00 0.00 176.35 177.83 3kxp s ASN 25 N -0.96 7.30 0.02 2.29 2.47 -1.26 0.66 114.94 125.46 3kxp s ASN 25 Ca 0.09 1.54 0.02 0.00 0.42 0.00 0.00 52.86 54.93 3kxp s ASN 25 Cb -0.09 -2.47 -0.02 0.00 -1.45 0.00 0.00 41.25 37.22 3kxp s ASN 25 CO 0.01 0.16 -0.06 -0.69 -3.72 0.00 0.00 177.10 172.80 3kxp s VAL 26 N -0.82 0.46 -0.18 -5.21 1.01 -0.44 -0.91 120.40 114.32 3kxp s VAL 26 Ca 0.36 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 3kxp s VAL 26 Cb -0.22 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 3kxp s VAL 26 CO 0.24 -0.20 -0.06 -0.13 0.00 0.00 0.00 175.10 174.95 3kxp s ARG 27 N -1.01 3.47 0.13 2.72 0.52 0.21 -1.27 118.95 123.74 3kxp s ARG 27 Ca -0.06 -0.61 0.10 0.00 -0.52 0.00 0.00 55.73 54.64 3kxp s ARG 27 Cb -0.07 -2.89 -0.04 0.00 0.52 0.00 0.00 34.95 32.48 3kxp s ARG 27 CO 0.00 0.05 -0.23 -2.00 0.02 0.00 0.00 175.30 173.14 3kxp s GLU 28 N 0.84 1.30 -0.23 3.54 2.12 0.28 -1.08 118.70 125.47 3kxp s GLU 28 Ca -0.02 -1.32 -0.28 0.00 0.36 0.00 0.00 54.97 53.71 3kxp s GLU 28 Cb -0.15 -1.63 0.15 0.00 0.26 0.00 0.00 34.13 32.76 3kxp s GLU 28 CO 0.01 0.37 1.15 0.21 -0.54 0.00 0.00 175.26 176.46 3kxp s LYS 29 N -2.20 0.38 0.07 4.30 2.20 -0.99 -0.83 119.74 122.67 3kxp s LYS 29 Ca 0.13 0.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.91 3kxp s LYS 29 Cb -0.09 0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.41 3kxp s LYS 29 CO 0.06 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.36 3kxp n GLY 30 N 1.03 -1.94 3.39 5.54 0.00 -1.26 -1.84 105.19 110.11 3kxp n GLY 30 Ca -0.08 -1.45 -0.20 0.00 0.00 0.00 0.00 46.02 44.30 3kxp n GLY 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kxp s SER 31 N -4.94 2.45 0.00 1.61 1.04 -1.20 -4.46 113.70 108.20 3kxp s SER 31 Ca 0.00 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.24 3kxp s SER 31 Cb 0.00 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.01 3kxp s SER 31 CO 0.00 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.45 3kxp n GLY 32 N -0.51 0.12 3.61 7.32 0.00 -1.26 -2.59 105.19 111.87 3kxp n GLY 32 Ca -0.06 -2.29 -0.42 0.00 0.00 0.00 0.00 46.02 43.25 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 -0.10 1.34 -0.86 1.61 -0.02 -1.26 -3.37 135.00 132.34 3kxp n PRO 33 Ca 0.00 0.48 -0.28 0.00 -2.02 0.00 0.00 63.50 61.68 3kxp n PRO 33 Cb 0.00 -2.01 0.24 0.00 -0.02 0.00 0.00 33.50 31.70 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 0.59 0.00 -3.64 2.45 7.94 -1.26 -1.46 117.00 121.62 3kxp n LEU 34 Ca 0.09 -1.04 -0.08 0.00 -1.11 0.00 0.00 56.01 53.88 3kxp n LEU 34 Cb 0.38 -0.93 -0.07 0.00 0.53 0.00 0.00 43.42 43.34 3kxp n LEU 34 CO 0.57 -2.17 0.70 -0.76 -1.11 0.00 0.00 177.39 174.62 3kxp s LEU 36 N 0.00 -0.50 -0.09 -1.96 1.43 0.18 -1.79 118.68 115.95 3kxp s LEU 36 Ca 0.65 0.91 0.02 0.00 -1.03 0.00 0.00 54.13 54.68 3kxp s LEU 36 Cb -0.07 1.89 -0.02 0.00 0.03 0.00 0.00 46.19 48.03 3kxp s LEU 36 CO 0.51 -0.15 -0.16 -0.36 0.23 0.00 0.00 176.35 176.41 3kxp s PHE 37 N 0.55 2.71 -0.11 0.29 0.40 -0.23 -0.40 117.98 121.19 3kxp s PHE 37 Ca -0.00 -0.54 0.01 0.00 -0.60 0.00 0.00 56.93 55.80 3kxp s PHE 37 Cb -0.05 -1.74 0.02 0.00 0.51 0.00 0.00 43.02 41.77 3kxp s PHE 37 CO -0.09 -0.11 -0.13 -0.06 0.70 0.00 0.00 175.22 175.54 3kxp s PHE 38 N -0.04 1.79 0.96 0.36 0.40 0.06 -1.85 117.98 119.65 3kxp s PHE 38 Ca -0.04 -0.85 -0.15 0.00 -0.60 0.00 0.00 56.93 55.29 3kxp s PHE 38 Cb -0.14 -1.34 0.18 0.00 0.51 0.00 0.00 43.02 42.23 3kxp s PHE 38 CO 0.04 -0.48 1.22 -3.38 0.70 0.00 0.00 175.22 173.33 3kxp s HIS 39 N 1.17 1.87 0.74 0.36 -3.43 -1.26 -0.49 115.29 114.25 3kxp s HIS 39 Ca -0.04 0.54 -0.05 0.00 -0.80 0.00 0.00 55.06 54.71 3kxp s HIS 39 Cb -0.14 -3.74 0.11 0.00 -1.43 0.00 0.00 32.58 27.38 3kxp s HIS 39 CO -0.03 -2.62 1.04 0.20 -2.00 0.00 0.00 174.74 171.32 3kxp s GLY 40 N -4.49 1.75 0.23 -1.38 0.00 -1.23 -2.13 107.32 100.07 3kxp s GLY 40 Ca 0.69 -1.38 -0.32 0.00 0.00 0.00 0.00 44.72 43.71 3kxp s GLY 40 CO 0.53 -0.85 1.59 4.51 0.00 0.00 0.00 173.10 178.88 3kxp n ILE 41 N -2.98 0.50 -0.67 0.90 3.06 -1.26 -1.75 119.36 117.16 3kxp n ILE 41 Ca 0.12 -0.12 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 3kxp n ILE 41 Cb 0.60 -1.76 0.00 0.00 0.54 0.00 0.00 39.64 39.02 3kxp n ILE 41 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 3kxp n THR 42 N 2.87 0.00 -1.74 9.51 -2.24 -1.26 -4.99 114.28 116.44 3kxp n THR 42 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 3kxp n THR 42 Cb 0.33 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 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 -3.81 3.42 2.88 -0.71 -4.85 113.62 110.54 3kxp n SER 43 Ca 0.00 -0.56 -0.07 0.00 -1.33 0.00 0.00 58.87 56.90 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 -0.23 0.55 -3.46 2.20 -1.26 -4.40 114.94 107.34 3kxp s ASN 44 Ca 0.00 -0.67 0.28 0.00 -0.94 0.00 0.00 52.86 51.53 3kxp s ASN 44 Cb 0.00 0.73 1.45 0.00 -2.00 0.00 0.00 41.25 41.43 3kxp s ASN 44 CO 0.00 -1.35 1.95 0.77 -2.94 0.00 0.00 177.10 175.53 3kxp h SER 45 N 2.02 0.00 -0.21 3.54 4.64 -1.92 -3.05 113.55 118.58 3kxp h SER 45 Ca -0.20 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.18 3kxp h SER 45 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 3kxp h SER 45 CO 0.25 0.00 0.20 0.00 -0.87 0.00 0.00 176.83 176.42 3kxp h ALA 46 N 1.63 1.91 0.00 5.18 0.00 -1.94 -2.57 119.26 123.47 3kxp h ALA 46 Ca 0.29 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3kxp h ALA 46 Cb 1.21 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3kxp h ALA 46 CO -0.00 -0.31 -0.04 -0.39 0.00 0.00 0.00 179.25 178.51 3kxp h VAL 47 N 0.00 0.32 -0.01 0.00 -1.51 -1.88 -2.78 116.25 110.39 3kxp h VAL 47 Ca 0.10 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 3kxp h VAL 47 Cb 0.51 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 3kxp h VAL 47 CO -0.00 0.04 -0.18 0.49 -1.23 0.00 0.00 177.57 176.68 3kxp n PHE 48 N -3.47 0.00 -0.30 5.19 3.01 -0.97 -4.43 117.46 116.49 3kxp n PHE 48 Ca -0.02 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.46 3kxp n PHE 48 Cb 0.15 -0.09 0.15 0.00 -0.01 0.00 0.00 39.48 39.68 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 1.46 0.84 0.00 -1.08 5.08 -1.67 -2.12 114.58 117.09 3kxp h GLU 49 Ca 0.00 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3kxp h GLU 49 Cb 0.50 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3kxp h GLU 49 CO 0.00 0.56 -0.19 -1.35 -1.00 0.00 0.00 179.01 177.03 3kxp h PRO 50 N 0.87 0.00 -0.99 2.33 0.11 -1.83 -2.25 132.00 130.23 3kxp h PRO 50 Ca 0.38 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.36 3kxp h PRO 50 Cb 0.27 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.30 3kxp h PRO 50 CO -0.21 0.19 0.17 -0.11 -0.21 0.00 0.00 178.00 177.83 3kxp n LEU 51 N -3.75 3.90 0.00 2.35 7.94 -0.80 -4.24 117.00 122.40 3kxp n LEU 51 Ca -0.02 -2.01 0.00 0.00 -1.11 0.00 0.00 56.01 52.87 3kxp n LEU 51 Cb 0.30 -0.59 0.00 0.00 0.53 0.00 0.00 43.42 43.66 3kxp n LEU 51 CO 0.33 0.63 0.00 -0.38 -1.11 0.00 0.00 177.39 176.86 3kxp n ILE 53 N 0.06 0.00 1.28 1.96 5.41 -0.85 -3.72 119.36 123.50 3kxp n ILE 53 Ca 0.16 0.00 0.13 0.00 1.00 0.00 0.00 62.75 64.04 3kxp n ILE 53 Cb 0.80 0.00 0.45 0.00 -0.71 0.00 0.00 39.64 40.18 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 0.75 0.00 0.38 5.12 -1.26 -4.09 116.66 117.56 3kxp n ARG 54 Ca 0.00 -0.39 0.00 0.00 -1.93 0.00 0.00 57.85 55.53 3kxp n ARG 54 Cb 0.00 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.81 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 -0.79 0.00 0.16 0.55 4.77 -1.24 -4.75 117.00 115.69 3kxp n LEU 55 Ca 0.13 -0.12 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 3kxp n LEU 55 Cb 0.33 0.00 0.57 0.00 -2.33 0.00 0.00 43.42 41.99 3kxp n LEU 55 CO 0.26 0.00 0.82 -1.54 -1.33 0.00 0.00 177.39 175.60 3kxp n SER 56 N -1.04 0.55 0.16 -1.43 3.41 -1.26 -0.73 113.62 113.29 3kxp n SER 56 Ca 0.00 0.75 0.13 0.00 -0.26 0.00 0.00 58.87 59.49 3kxp n SER 56 Cb 0.00 -0.83 0.35 0.00 -0.26 0.00 0.00 64.21 63.47 3kxp n SER 56 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 3kxp h ASP 57 N 0.00 0.00 0.00 4.04 2.03 -1.85 -3.24 116.42 117.40 3kxp h ASP 57 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3kxp h ASP 57 Cb 0.02 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.52 3kxp h ASP 57 CO 0.00 0.00 -0.68 0.54 -1.03 0.00 0.00 179.24 178.07 3kxp n ARG 58 N -2.63 2.07 -4.43 4.15 1.74 -0.60 -4.86 116.66 112.09 3kxp n ARG 58 Ca 0.04 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.91 3kxp n ARG 58 Cb 0.44 -0.84 -0.10 0.00 -1.02 0.00 0.00 32.46 30.94 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 -1.44 2.02 -0.83 -1.55 0.40 0.09 -4.10 117.98 112.57 3kxp s PHE 59 Ca 0.00 -0.55 -0.16 0.00 -0.60 0.00 0.00 56.93 55.62 3kxp s PHE 59 Cb 0.00 -1.04 0.18 0.00 0.51 0.00 0.00 43.02 42.67 3kxp s PHE 59 CO 0.00 0.44 0.87 0.99 0.70 0.00 0.00 175.22 178.22 3kxp s THR 60 N -2.83 5.26 0.02 0.64 2.01 -0.54 -3.23 115.64 116.96 3kxp s THR 60 Ca 0.28 -2.03 -0.29 0.00 0.31 0.00 0.00 61.69 59.96 3kxp s THR 60 Cb 0.00 -4.57 -0.04 0.00 0.01 0.00 0.00 72.50 67.91 3kxp s THR 60 CO 0.12 -1.18 0.93 0.42 -0.69 0.00 0.00 174.62 174.22 3kxp s THR 61 N 1.22 4.80 -0.05 -0.82 -4.23 -0.76 -4.48 115.64 111.31 3kxp s THR 61 Ca 0.22 1.97 -0.02 0.00 -1.18 0.00 0.00 61.69 62.68 3kxp s THR 61 Cb -0.10 -4.28 0.03 0.00 1.34 0.00 0.00 72.50 69.49 3kxp s THR 61 CO -0.07 0.21 0.04 -0.63 -0.54 0.00 0.00 174.62 173.63 3kxp s ILE 62 N 0.71 0.08 -0.09 2.99 1.01 -1.26 -2.35 121.20 122.29 3kxp s ILE 62 Ca 0.49 0.30 -0.11 0.00 0.00 0.00 0.00 60.65 61.33 3kxp s ILE 62 Cb -0.21 -0.29 -0.05 0.00 0.01 0.00 0.00 42.46 41.92 3kxp s ILE 62 CO 0.27 0.21 0.26 0.00 0.00 0.00 0.00 174.94 175.68 3kxp s ALA 63 N 2.04 3.75 -0.08 9.38 0.00 -0.24 -1.06 121.76 135.55 3kxp s ALA 63 Ca 0.04 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.56 3kxp s ALA 63 Cb -0.12 -2.21 -0.02 0.00 0.00 0.00 0.00 23.12 20.77 3kxp s ALA 63 CO -0.04 0.44 -0.14 0.08 0.00 0.00 0.00 175.76 176.10 3kxp s VAL 64 N -0.67 3.00 -0.21 0.00 1.01 -0.77 -0.62 120.40 122.14 3kxp s VAL 64 Ca 0.18 -0.72 -0.22 0.00 0.00 0.00 0.00 61.98 61.22 3kxp s VAL 64 Cb -0.14 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 3kxp s VAL 64 CO 0.07 0.56 0.70 -1.81 0.00 0.00 0.00 175.10 174.62 3kxp s ASP 65 N -0.27 6.74 0.44 3.32 -0.00 -0.09 -4.15 116.67 122.67 3kxp s ASP 65 Ca 0.02 0.91 -0.11 0.00 -0.00 0.00 0.00 52.55 53.37 3kxp s ASP 65 Cb -0.13 -2.38 -0.06 0.00 -0.00 0.00 0.00 42.92 40.35 3kxp s ASP 65 CO 0.03 -0.36 0.82 -1.10 -0.00 0.00 0.00 175.17 174.56 3kxp s GLN 66 N 2.21 3.78 0.08 8.23 -0.21 -1.26 -4.21 119.66 128.27 3kxp s GLN 66 Ca 0.31 0.54 -0.36 0.00 0.02 0.00 0.00 55.36 55.86 3kxp s GLN 66 Cb -0.16 -2.33 -0.18 0.00 1.00 0.00 0.00 33.01 31.34 3kxp s GLN 66 CO 0.10 -0.11 1.10 2.89 -2.12 0.00 0.00 175.29 177.15 3kxp n ARG 67 N -1.50 0.53 0.00 2.91 1.85 -1.26 -0.31 116.66 118.87 3kxp n ARG 67 Ca 0.03 0.19 0.00 0.00 -1.00 0.00 0.00 57.85 57.07 3kxp n ARG 67 Cb 0.54 -1.68 0.00 0.00 -1.05 0.00 0.00 32.46 30.27 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 1.92 2.87 3.71 2.89 0.00 -0.55 -5.01 105.19 111.02 3kxp n GLY 68 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.39 2.63 0.00 1.61 3.76 0.57 -1.35 115.29 120.13 3kxp s HIS 69 Ca 0.00 -0.47 0.00 0.00 -0.15 0.00 0.00 55.06 54.44 3kxp s HIS 69 Cb 0.00 -1.71 0.00 0.00 1.11 0.00 0.00 32.58 31.98 3kxp s HIS 69 CO 0.00 0.32 0.00 0.41 -0.85 0.00 0.00 174.74 174.62 3kxp n GLY 70 N -1.13 2.53 1.35 -2.22 0.00 -1.26 -1.89 105.19 102.57 3kxp n GLY 70 Ca -0.03 0.17 0.03 0.00 0.00 0.00 0.00 46.02 46.19 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 4.74 -4.96 0.99 4.77 -1.26 -4.66 117.00 116.61 3kxp n LEU 71 Ca 0.00 -3.18 -0.22 0.00 -0.03 0.00 0.00 56.01 52.58 3kxp n LEU 71 Cb 0.00 -0.63 0.01 0.00 -2.33 0.00 0.00 43.42 40.47 3kxp n LEU 71 CO 0.00 0.79 0.23 -0.44 -1.33 0.00 0.00 177.39 176.64 3kxp s SER 72 N -1.66 5.83 0.71 -1.43 0.01 -0.79 -4.14 113.70 112.23 3kxp s SER 72 Ca 0.48 0.13 -0.16 0.00 1.31 0.00 0.00 55.95 57.71 3kxp s SER 72 Cb 0.39 -1.40 0.01 0.00 0.21 0.00 0.00 66.02 65.23 3kxp s SER 72 CO 0.10 -0.66 1.07 0.47 0.41 0.00 0.00 173.24 174.62 3kxp n ASP 73 N -1.98 0.90 -3.43 2.44 8.00 -0.23 -4.54 116.55 117.71 3kxp n ASP 73 Ca 0.01 0.69 -0.26 0.00 0.71 0.00 0.00 54.79 55.95 3kxp n ASP 73 Cb 0.58 -1.45 -0.09 0.00 -0.02 0.00 0.00 41.12 40.14 3kxp n ASP 73 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3kxp n LYS 74 N -2.04 1.16 -0.79 -1.24 5.02 -1.26 -1.49 118.16 117.53 3kxp n LYS 74 Ca 0.14 -3.76 -0.32 0.00 -2.02 0.00 0.00 58.31 52.35 3kxp n LYS 74 Cb 0.49 -1.77 0.16 0.00 -0.02 0.00 0.00 35.03 33.89 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 1.80 -0.30 0.26 1.97 -0.04 -1.26 -4.89 135.00 132.55 3kxp n PRO 75 Ca 0.25 -0.02 0.11 0.00 -0.04 0.00 0.00 63.50 63.81 3kxp n PRO 75 Cb 0.46 -2.38 0.70 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.64 0.00 -3.47 0.54 4.81 -2.02 -3.46 114.58 109.34 3kxp h GLU 76 Ca -0.44 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.76 3kxp h GLU 76 Cb 1.28 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.58 3kxp h GLU 76 CO 0.42 0.12 -0.01 -0.08 -0.73 0.00 0.00 179.01 178.73 3kxp s THR 77 N -4.37 0.00 0.00 0.32 -1.32 -1.26 -4.94 115.64 104.06 3kxp s THR 77 Ca -0.03 -1.29 0.00 0.00 -1.21 0.00 0.00 61.69 59.16 3kxp s THR 77 Cb 0.14 -2.20 0.00 0.00 -1.51 0.00 0.00 72.50 68.93 3kxp s THR 77 CO 0.61 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.63 3kxp n GLY 78 N -0.42 0.87 2.32 6.08 0.00 -1.26 -5.06 105.19 107.71 3kxp n GLY 78 Ca -0.02 -0.81 -0.21 0.00 0.00 0.00 0.00 46.02 44.97 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 2.70 -3.23 1.61 4.02 -1.26 -4.73 117.16 116.26 3kxp n TYR 79 Ca 0.00 -2.57 -0.18 0.00 -0.01 0.00 0.00 57.90 55.14 3kxp n TYR 79 Cb 0.00 -0.24 -0.01 0.00 -0.02 0.00 0.00 39.34 39.07 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 -3.56 2.74 0.19 -0.72 0.41 -1.26 -4.29 118.70 112.21 3kxp s GLU 80 Ca 0.46 -1.33 -0.19 0.00 -0.41 0.00 0.00 54.97 53.50 3kxp s GLU 80 Cb 0.40 -2.63 0.15 0.00 -1.78 0.00 0.00 34.13 30.27 3kxp s GLU 80 CO -0.05 -0.22 1.60 0.00 -0.49 0.00 0.00 175.26 176.11 3kxp h ALA 81 N 0.80 0.09 -0.63 5.21 0.00 -1.97 -1.73 119.26 121.02 3kxp h ALA 81 Ca -0.41 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3kxp h ALA 81 Cb 1.27 0.66 -0.03 0.00 0.00 0.00 0.00 17.79 19.69 3kxp h ALA 81 CO 0.50 -0.60 0.37 -0.91 0.00 0.00 0.00 179.25 178.61 3kxp h ASN 82 N -0.13 0.75 0.30 0.00 -0.26 -1.97 0.95 115.58 115.22 3kxp h ASN 82 Ca 0.24 -0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.93 3kxp h ASN 82 Cb 0.52 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.59 3kxp h ASN 82 CO -0.64 0.58 -0.14 0.44 -1.06 0.00 0.00 177.43 176.61 3kxp h ASP 83 N 0.87 -0.34 -0.71 5.81 3.32 -1.63 0.26 116.42 123.99 3kxp h ASP 83 Ca 0.23 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 3kxp h ASP 83 Cb -0.03 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 3kxp h ASP 83 CO -0.04 -0.19 0.42 1.88 -1.72 0.00 0.00 179.24 179.58 3kxp h TYR 84 N -0.46 0.94 -0.80 4.55 -1.99 -1.32 -2.06 116.97 115.83 3kxp h TYR 84 Ca -0.04 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.67 3kxp h TYR 84 Cb 0.35 -0.31 -0.04 0.00 2.00 0.00 0.00 36.73 38.74 3kxp h TYR 84 CO -0.04 0.64 0.46 0.00 -0.00 0.00 0.00 178.16 179.23 3kxp h ALA 85 N 1.22 1.02 -0.22 3.88 0.00 -0.53 -2.30 119.26 122.33 3kxp h ALA 85 Ca 0.25 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 3kxp h ALA 85 Cb -0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3kxp h ALA 85 CO -0.05 0.50 -0.32 -0.44 0.00 0.00 0.00 179.25 178.95 3kxp h ASP 86 N 1.10 0.46 -0.95 0.00 3.32 -0.20 -2.31 116.42 117.84 3kxp h ASP 86 Ca 0.28 -0.17 0.04 0.00 0.02 0.00 0.00 57.03 57.20 3kxp h ASP 86 Cb -0.01 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.36 3kxp h ASP 86 CO -0.05 0.76 0.63 0.44 -1.72 0.00 0.00 179.24 179.29 3kxp h ASP 87 N 0.39 1.03 -0.49 6.45 3.45 -0.85 -0.12 116.42 126.29 3kxp h ASP 87 Ca 0.05 -0.01 -0.08 0.00 0.43 0.00 0.00 57.03 57.42 3kxp h ASP 87 Cb 0.75 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 39.26 3kxp h ASP 87 CO 0.06 0.70 0.02 0.40 -1.57 0.00 0.00 179.24 178.85 3kxp h ILE 88 N 1.19 1.25 -0.14 0.35 2.04 -0.95 -1.49 117.51 119.77 3kxp h ILE 88 Ca 0.38 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 3kxp h ILE 88 Cb 0.02 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3kxp h ILE 88 CO -0.12 0.37 0.02 0.00 0.00 0.00 0.00 178.15 178.43 3kxp h ALA 89 N 1.17 0.19 -0.13 1.87 0.00 -0.76 -2.32 119.26 119.29 3kxp h ALA 89 Ca 0.16 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3kxp h ALA 89 Cb 0.47 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3kxp h ALA 89 CO 0.02 -0.15 0.04 0.78 0.00 0.00 0.00 179.25 179.94 3kxp h GLY 90 N 0.02 0.15 0.25 0.00 0.00 -0.92 -1.97 103.07 100.60 3kxp h GLY 90 Ca 0.04 -0.02 0.06 0.00 0.00 0.00 0.00 47.33 47.41 3kxp h GLY 90 CO 0.00 0.01 -0.18 -2.00 0.00 0.00 0.00 176.54 174.37 3kxp h LEU 91 N 0.10 -0.59 -0.55 3.11 6.46 -1.24 0.35 115.31 122.95 3kxp h LEU 91 Ca 0.05 0.12 0.06 0.00 -0.12 0.00 0.00 57.88 58.00 3kxp h LEU 91 Cb 0.03 0.30 -0.06 0.00 -0.73 0.00 0.00 40.66 40.21 3kxp h LEU 91 CO -0.06 -0.22 0.24 0.40 -0.62 0.00 0.00 178.44 178.18 3kxp h ILE 92 N -0.18 0.88 0.73 4.05 2.04 -1.25 0.14 117.51 123.92 3kxp h ILE 92 Ca 0.14 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 3kxp h ILE 92 Cb 0.38 0.38 0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3kxp h ILE 92 CO -0.35 0.08 -0.35 0.03 0.00 0.00 0.00 178.15 177.56 3kxp h ARG 93 N 0.46 -0.95 -0.34 2.37 3.08 -0.52 -1.07 114.38 117.41 3kxp h ARG 93 Ca 0.26 0.06 0.07 0.00 0.07 0.00 0.00 59.98 60.44 3kxp h ARG 93 Cb 0.23 0.22 -0.09 0.00 0.08 0.00 0.00 29.97 30.41 3kxp h ARG 93 CO -0.22 -0.62 -0.33 1.15 -1.07 0.00 0.00 179.97 178.88 3kxp h THR 94 N -1.05 0.23 -0.84 2.04 2.02 -0.02 0.20 112.91 115.49 3kxp h THR 94 Ca -0.10 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.19 3kxp h THR 94 Cb 0.77 0.23 -0.06 0.00 -1.74 0.00 0.00 68.15 67.35 3kxp h THR 94 CO 0.17 0.00 0.54 -0.07 0.37 0.00 0.00 175.52 176.53 3kxp h LEU 95 N -0.29 0.67 -3.27 2.58 3.38 -0.73 -3.46 115.31 114.19 3kxp h LEU 95 Ca 0.15 0.03 -0.51 0.00 0.09 0.00 0.00 57.88 57.63 3kxp h LEU 95 Cb 0.54 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 41.20 3kxp h LEU 95 CO -0.50 0.38 -0.96 0.00 0.09 0.00 0.00 178.44 177.44 3kxp n ALA 96 N -2.44 -2.48 -2.04 1.53 0.00 0.69 -4.90 120.51 110.87 3kxp n ALA 96 Ca 0.15 -0.38 -0.00 0.00 0.00 0.00 0.00 53.44 53.20 3kxp n ALA 96 Cb 0.37 -3.08 0.11 0.00 0.00 0.00 0.00 19.45 16.85 3kxp n ALA 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kxp n ARG 97 N -4.57 1.52 0.00 0.00 1.74 -1.26 -5.11 116.66 108.99 3kxp n ARG 97 Ca -0.14 -3.12 0.00 0.00 -0.77 0.00 0.00 57.85 53.82 3kxp n ARG 97 Cb 0.60 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.74 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 -0.56 -0.39 3.75 -0.13 0.00 -1.26 -4.40 105.19 102.19 3kxp n GLY 98 Ca 0.19 -1.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.12 2.36 0.06 1.61 -3.43 -1.26 -4.86 115.29 108.65 3kxp s HIS 99 Ca 0.00 1.57 0.06 0.00 -0.80 0.00 0.00 55.06 55.89 3kxp s HIS 99 Cb 0.00 -3.32 -0.04 0.00 -1.43 0.00 0.00 32.58 27.79 3kxp s HIS 99 CO 0.00 -2.11 -0.09 0.00 -2.00 0.00 0.00 174.74 170.54 3kxp s ALA 100 N -2.13 2.96 -0.08 -1.38 0.00 0.10 -4.18 121.76 117.05 3kxp s ALA 100 Ca 0.71 -1.16 -0.16 0.00 0.00 0.00 0.00 51.96 51.35 3kxp s ALA 100 Cb -0.25 -0.98 -0.05 0.00 0.00 0.00 0.00 23.12 21.85 3kxp s ALA 100 CO 0.42 0.63 0.43 0.42 0.00 0.00 0.00 175.76 177.66 3kxp s ILE 101 N -1.12 5.14 -0.21 0.00 1.01 -0.74 -0.00 121.20 125.29 3kxp s ILE 101 Ca 0.20 0.86 -0.05 0.00 0.00 0.00 0.00 60.65 61.65 3kxp s ILE 101 Cb -0.11 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 3kxp s ILE 101 CO 0.11 0.42 0.01 -0.76 0.00 0.00 0.00 174.94 174.72 3kxp s LEU 102 N 0.02 3.29 -0.35 2.97 1.02 0.92 -0.65 118.68 125.91 3kxp s LEU 102 Ca 0.24 -0.20 0.03 0.00 0.02 0.00 0.00 54.13 54.22 3kxp s LEU 102 Cb -0.15 -1.84 0.10 0.00 0.02 0.00 0.00 46.19 44.32 3kxp s LEU 102 CO 0.10 0.06 0.07 -0.69 0.02 0.00 0.00 176.35 175.91 3kxp s VAL 103 N 1.05 2.47 0.11 -1.59 1.01 0.46 0.46 120.40 124.37 3kxp s VAL 103 Ca 0.02 -2.23 0.10 0.00 0.00 0.00 0.00 61.98 59.88 3kxp s VAL 103 Cb -0.14 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 3kxp s VAL 103 CO 0.02 -0.57 -0.25 -0.83 0.00 0.00 0.00 175.10 173.47 3kxp s GLY 104 N 1.09 1.57 -0.10 4.51 0.00 -0.88 -0.76 107.32 112.74 3kxp s GLY 104 Ca 0.09 -1.40 0.03 0.00 0.00 0.00 0.00 44.72 43.43 3kxp s GLY 104 CO -0.07 -1.36 -0.18 -1.58 0.00 0.00 0.00 173.10 169.91 3kxp s HIS 105 N -1.02 2.67 0.00 1.90 2.46 0.36 -0.99 115.29 120.67 3kxp s HIS 105 Ca 0.14 -0.67 0.00 0.00 0.47 0.00 0.00 55.06 55.00 3kxp s HIS 105 Cb -0.10 -1.74 0.00 0.00 -0.13 0.00 0.00 32.58 30.61 3kxp s HIS 105 CO 0.06 -0.20 0.00 0.45 -2.47 0.00 0.00 174.74 172.58 3kxp n SER 106 N 3.23 0.00 -0.26 9.88 2.88 0.15 0.71 113.62 130.21 3kxp n SER 106 Ca -0.18 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.42 3kxp n SER 106 Cb 0.53 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 64.17 3kxp n SER 106 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3kxp h LEU 107 N 0.00 -0.17 -0.74 2.46 5.85 -1.90 0.29 115.31 121.10 3kxp h LEU 107 Ca 0.00 0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.97 3kxp h LEU 107 Cb 0.00 0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 3kxp h LEU 107 CO 0.00 -0.13 0.42 1.23 -0.34 0.00 0.00 178.44 179.62 3kxp h GLY 108 N 0.17 1.10 0.94 3.75 0.00 0.83 0.84 103.07 110.70 3kxp h GLY 108 Ca 0.43 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 3kxp h GLY 108 CO -0.60 0.16 0.12 0.00 0.00 0.00 0.00 176.54 176.22 3kxp h ALA 109 N 1.39 0.54 -0.18 3.60 0.00 -0.49 -0.85 119.26 123.27 3kxp h ALA 109 Ca 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3kxp h ALA 109 Cb 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3kxp h ALA 109 CO -0.20 0.20 0.11 -0.09 0.00 0.00 0.00 179.25 179.27 3kxp h ARG 110 N 0.53 0.24 -0.56 0.00 1.12 -0.43 -1.64 114.38 113.64 3kxp h ARG 110 Ca 0.13 -0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 58.98 3kxp h ARG 110 Cb 0.28 -0.05 -0.03 0.00 -0.01 0.00 0.00 29.97 30.16 3kxp h ARG 110 CO -0.00 0.19 0.34 -0.91 -3.11 0.00 0.00 179.97 176.47 3kxp h ASN 111 N 0.23 0.67 -0.30 -3.80 2.35 -0.73 -2.71 115.58 111.29 3kxp h ASN 111 Ca 0.07 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3kxp h ASN 111 Cb 0.00 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 3kxp h ASN 111 CO -0.01 0.54 0.20 0.28 -1.65 0.00 0.00 177.43 176.78 3kxp h SER 112 N 0.75 0.35 -0.70 5.81 0.02 -0.85 -0.88 113.55 118.06 3kxp h SER 112 Ca 0.20 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 3kxp h SER 112 Cb -0.01 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 3kxp h SER 112 CO -0.04 0.27 0.25 0.58 -1.14 0.00 0.00 176.83 176.75 3kxp h VAL 113 N 0.41 1.25 -0.72 2.27 2.07 -1.26 0.57 116.25 120.85 3kxp h VAL 113 Ca 0.11 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 3kxp h VAL 113 Cb -0.03 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 3kxp h VAL 113 CO -0.02 0.33 0.32 0.74 0.02 0.00 0.00 177.57 178.95 3kxp h THR 114 N 1.02 1.24 -0.23 2.57 2.02 -1.25 -1.39 112.91 116.88 3kxp h THR 114 Ca 0.23 -0.70 -0.16 0.00 0.77 0.00 0.00 66.41 66.56 3kxp h THR 114 Cb 0.26 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 3kxp h THR 114 CO -0.01 0.29 -0.50 0.00 0.37 0.00 0.00 175.52 175.66 3kxp h ALA 115 N 1.32 0.69 -0.14 6.16 0.00 -0.58 -2.35 119.26 124.36 3kxp h ALA 115 Ca 0.25 -0.49 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 3kxp h ALA 115 Cb 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3kxp h ALA 115 CO -0.03 0.68 -0.41 0.00 0.00 0.00 0.00 179.25 179.49 3kxp h ALA 116 N 0.94 1.04 -0.05 0.00 0.00 -0.46 0.38 119.26 121.11 3kxp h ALA 116 Ca 0.02 -0.42 -0.18 0.00 0.00 0.00 0.00 54.91 54.33 3kxp h ALA 116 Cb 1.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3kxp h ALA 116 CO 0.10 0.61 -0.75 0.00 0.00 0.00 0.00 179.25 179.21 3kxp h ALA 117 N 1.30 0.62 0.15 0.00 0.00 -1.21 -3.08 119.26 117.05 3kxp h ALA 117 Ca 0.02 -0.63 -0.33 0.00 0.00 0.00 0.00 54.91 53.98 3kxp h ALA 117 Cb 0.84 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3kxp h ALA 117 CO 0.07 0.80 -1.61 -0.22 0.00 0.00 0.00 179.25 178.28 3kxp h LYS 118 N 0.21 0.33 -2.17 0.00 3.64 -1.16 -3.41 116.57 114.01 3kxp h LYS 118 Ca -0.03 -0.56 -0.57 0.00 -1.27 0.00 0.00 60.65 58.22 3kxp h LYS 118 Cb 1.32 0.21 -0.41 0.00 -0.41 0.00 0.00 32.23 32.94 3kxp h LYS 118 CO 0.12 1.21 -0.76 0.66 -2.27 0.00 0.00 179.45 178.41 3kxp n TYR 119 N -3.52 2.75 0.06 1.91 4.02 0.13 -4.93 117.16 117.58 3kxp n TYR 119 Ca -0.20 -3.97 0.21 0.00 -0.01 0.00 0.00 57.90 53.93 3kxp n TYR 119 Cb 1.06 -0.49 0.74 0.00 -0.02 0.00 0.00 39.34 40.63 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 3.58 0.00 -0.00 -0.72 0.13 -1.74 -0.14 132.00 133.11 3kxp h PRO 120 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3kxp h PRO 120 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3kxp h PRO 120 CO 0.73 0.00 -0.12 -0.25 -0.23 0.00 0.00 178.00 178.13 3kxp n ASP 121 N -3.87 0.34 -0.05 1.44 10.43 -1.26 -3.70 116.55 119.88 3kxp n ASP 121 Ca 0.08 -0.31 -0.00 0.00 2.57 0.00 0.00 54.79 57.12 3kxp n ASP 121 Cb 0.62 -0.13 -0.13 0.00 1.84 0.00 0.00 41.12 43.33 3kxp n ASP 121 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3kxp n LEU 122 N -1.14 0.00 -4.44 0.64 4.77 -0.08 -4.79 117.00 111.96 3kxp n LEU 122 Ca 0.12 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.74 3kxp n LEU 122 Cb 0.29 0.22 -0.13 0.00 -2.33 0.00 0.00 43.42 41.47 3kxp n LEU 122 CO 0.25 0.22 -0.29 0.68 -1.33 0.00 0.00 177.39 176.92 3kxp s VAL 123 N -2.75 4.20 0.03 4.08 -7.23 -1.11 -0.72 120.40 116.89 3kxp s VAL 123 Ca -0.07 -0.21 -0.20 0.00 -1.81 0.00 0.00 61.98 59.69 3kxp s VAL 123 Cb 0.08 -2.96 -0.17 0.00 0.56 0.00 0.00 36.38 33.89 3kxp s VAL 123 CO 0.68 0.36 1.25 -0.09 -0.31 0.00 0.00 175.10 176.99 3kxp h ARG 124 N 8.14 0.38 -2.41 4.82 2.43 -0.71 -3.46 114.38 123.57 3kxp h ARG 124 Ca -0.38 -0.26 0.16 0.00 -0.81 0.00 0.00 59.98 58.68 3kxp h ARG 124 Cb 1.17 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 30.68 3kxp h ARG 124 CO 0.59 0.88 0.45 -1.54 -1.51 0.00 0.00 179.97 178.84 3kxp s SER 125 N -6.34 -0.21 -0.00 -3.80 1.04 -1.24 -4.29 113.70 98.86 3kxp s SER 125 Ca -0.14 -0.39 0.02 0.00 0.48 0.00 0.00 55.95 55.92 3kxp s SER 125 Cb 0.05 0.51 -0.00 0.00 0.10 0.00 0.00 66.02 66.67 3kxp s SER 125 CO 0.78 -0.93 -0.05 -0.69 0.98 0.00 0.00 173.24 173.33 3kxp s VAL 126 N -3.34 0.43 -0.35 5.02 1.01 -0.22 -0.06 120.40 122.89 3kxp s VAL 126 Ca 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 3kxp s VAL 126 Cb -0.02 -0.37 0.09 0.00 0.00 0.00 0.00 36.38 36.08 3kxp s VAL 126 CO 0.02 0.11 0.09 -0.69 0.00 0.00 0.00 175.10 174.63 3kxp s VAL 127 N -0.15 2.93 -0.52 2.92 1.01 0.17 -0.16 120.40 126.60 3kxp s VAL 127 Ca 0.02 -1.88 -0.19 0.00 0.00 0.00 0.00 61.98 59.93 3kxp s VAL 127 Cb -0.02 -2.92 0.07 0.00 0.00 0.00 0.00 36.38 33.51 3kxp s VAL 127 CO -0.00 -0.45 0.62 0.00 0.00 0.00 0.00 175.10 175.27 3kxp s ALA 128 N 1.12 3.40 -0.41 5.51 0.00 0.48 -2.08 121.76 129.79 3kxp s ALA 128 Ca 0.04 -1.83 -0.19 0.00 0.00 0.00 0.00 51.96 49.98 3kxp s ALA 128 Cb -0.21 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.57 3kxp s ALA 128 CO -0.04 -2.04 0.55 0.42 0.00 0.00 0.00 175.76 174.65 3kxp s ILE 129 N 2.58 4.96 -1.12 0.00 1.01 -0.16 -1.43 121.20 127.04 3kxp s ILE 129 Ca 0.14 0.04 -0.12 0.00 0.00 0.00 0.00 60.65 60.71 3kxp s ILE 129 Cb -0.20 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.14 3kxp s ILE 129 CO 0.11 -0.44 0.85 -0.67 0.00 0.00 0.00 174.94 174.78 3kxp n ASP 130 N 5.92 -5.38 -3.15 3.58 2.03 0.17 -0.68 116.55 119.04 3kxp n ASP 130 Ca -0.04 -0.85 0.05 0.00 0.52 0.00 0.00 54.79 54.47 3kxp n ASP 130 Cb 0.48 -4.30 -0.01 0.00 -0.72 0.00 0.00 41.12 36.57 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 -3.45 -0.80 0.27 -0.67 2.19 -1.26 -4.09 117.98 110.17 3kxp s PHE 131 Ca 0.41 0.79 0.03 0.00 0.33 0.00 0.00 56.93 58.49 3kxp s PHE 131 Cb -0.10 0.26 -0.01 0.00 -1.31 0.00 0.00 43.02 41.86 3kxp s PHE 131 CO 0.80 -0.44 0.10 0.25 1.83 0.00 0.00 175.22 177.76 3kxp n THR 132 N 5.43 0.00 -1.99 0.12 -2.24 -1.26 -4.68 114.28 109.66 3kxp n THR 132 Ca -0.04 -1.58 -0.29 0.00 -2.27 0.00 0.00 64.05 59.86 3kxp n THR 132 Cb 0.54 0.58 0.19 0.00 -2.10 0.00 0.00 70.33 69.53 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 -3.03 0.58 -0.60 -0.78 0.02 -1.26 -4.26 135.00 125.67 3kxp s PRO 133 Ca 0.14 -0.53 0.00 0.00 0.02 0.00 0.00 61.00 60.63 3kxp s PRO 133 Cb 0.01 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.65 3kxp s PRO 133 CO 0.10 -2.43 0.00 0.66 -0.33 0.00 0.00 177.00 175.00 3kxp n TYR 134 N -3.74 0.00 -1.85 6.54 4.02 -1.26 -4.80 117.16 116.06 3kxp n TYR 134 Ca 0.16 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.63 3kxp n TYR 134 Cb 0.59 -1.93 -0.02 0.00 -0.02 0.00 0.00 39.34 37.96 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 -1.74 2.28 0.33 -0.72 1.01 -1.26 -4.70 121.20 116.40 3kxp s ILE 135 Ca 0.00 0.23 -0.29 0.00 0.00 0.00 0.00 60.65 60.59 3kxp s ILE 135 Cb 0.00 -3.14 -0.12 0.00 0.01 0.00 0.00 42.46 39.21 3kxp s ILE 135 CO 0.00 0.03 1.46 -0.62 0.00 0.00 0.00 174.94 175.81 3kxp n GLU 136 N 2.54 2.48 0.31 2.79 4.71 -1.26 -4.84 120.64 127.37 3kxp n GLU 136 Ca 0.09 0.87 0.19 0.00 -0.01 0.00 0.00 57.16 58.30 3kxp n GLU 136 Cb 0.38 -2.58 1.05 0.00 -1.01 0.00 0.00 31.44 29.28 3kxp n GLU 136 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 177.13 179.01 3kxp h THR 137 N 2.97 0.28 -0.18 2.62 1.35 -2.00 -0.64 112.91 117.32 3kxp h THR 137 Ca -0.48 -0.04 -0.16 0.00 -0.55 0.00 0.00 66.41 65.18 3kxp h THR 137 Cb 1.25 1.03 -0.01 0.00 -1.73 0.00 0.00 68.15 68.69 3kxp h THR 137 CO 0.69 0.01 -0.55 -0.33 -0.25 0.00 0.00 175.52 175.09 3kxp h GLU 138 N 0.00 0.53 -0.07 4.72 3.07 -2.00 -2.09 114.58 118.75 3kxp h GLU 138 Ca -0.00 -0.33 -0.02 0.00 -0.50 0.00 0.00 59.36 58.50 3kxp h GLU 138 Cb 0.03 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 27.98 3kxp h GLU 138 CO 0.00 0.94 -0.04 0.00 -1.40 0.00 0.00 179.01 178.51 3kxp h ALA 139 N 0.99 0.09 -0.81 3.43 0.00 -1.44 -2.61 119.26 118.91 3kxp h ALA 139 Ca 0.01 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.74 3kxp h ALA 139 Cb 1.09 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 3kxp h ALA 139 CO 0.10 -0.14 0.48 -0.07 0.00 0.00 0.00 179.25 179.63 3kxp h LEU 140 N -0.26 0.73 -1.34 0.00 3.38 -1.48 -0.80 115.31 115.54 3kxp h LEU 140 Ca 0.01 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3kxp h LEU 140 Cb 0.50 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3kxp h LEU 140 CO 0.01 0.45 -0.03 0.44 0.09 0.00 0.00 178.44 179.41 3kxp h ASP 141 N 0.86 0.38 0.28 -0.43 3.32 -1.33 0.11 116.42 119.61 3kxp h ASP 141 Ca 0.37 -0.07 -0.14 0.00 0.02 0.00 0.00 57.03 57.22 3kxp h ASP 141 Cb 0.24 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3kxp h ASP 141 CO -0.20 0.46 -0.54 0.00 -1.72 0.00 0.00 179.24 177.25 3kxp h ALA 142 N 1.59 0.90 0.08 3.45 0.00 -0.82 -1.87 119.26 122.59 3kxp h ALA 142 Ca 0.09 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 3kxp h ALA 142 Cb 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3kxp h ALA 142 CO 0.01 0.68 -0.04 1.25 0.00 0.00 0.00 179.25 181.16 3kxp h LEU 143 N 0.22 -0.09 -0.14 0.00 6.46 -0.23 -2.35 115.31 119.18 3kxp h LEU 143 Ca 0.00 -0.45 0.05 0.00 -0.12 0.00 0.00 57.88 57.36 3kxp h LEU 143 Cb 1.02 0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.91 3kxp h LEU 143 CO 0.09 0.43 -0.26 -0.08 -0.62 0.00 0.00 178.44 178.00 3kxp h GLU 144 N -0.65 -0.31 -0.10 1.25 4.81 -0.78 -0.35 114.58 118.45 3kxp h GLU 144 Ca -0.01 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3kxp h GLU 144 Cb 0.53 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 3kxp h GLU 144 CO 0.02 -0.21 0.01 0.00 -0.73 0.00 0.00 179.01 178.10 3kxp h ALA 145 N 0.61 1.83 -0.38 2.92 0.00 -1.42 -1.75 119.26 121.07 3kxp h ALA 145 Ca 0.10 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3kxp h ALA 145 Cb 0.48 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3kxp h ALA 145 CO -0.33 0.13 -0.27 -0.09 0.00 0.00 0.00 179.25 178.69 3kxp h ARG 146 N 0.14 0.86 0.16 0.00 2.43 -0.61 -2.80 114.38 114.56 3kxp h ARG 146 Ca 0.04 -0.42 -0.31 0.00 -0.81 0.00 0.00 59.98 58.48 3kxp h ARG 146 Cb 0.08 -0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.66 3kxp h ARG 146 CO -0.00 1.06 -1.31 -0.39 -1.51 0.00 0.00 179.97 177.82 3kxp h VAL 147 N 0.67 1.30 0.00 0.20 -1.51 -0.63 -3.21 116.25 113.08 3kxp h VAL 147 Ca 0.07 -2.57 0.00 0.00 -1.23 0.00 0.00 66.70 62.97 3kxp h VAL 147 Cb 0.85 2.80 0.00 0.00 -2.13 0.00 0.00 31.29 32.81 3kxp h VAL 147 CO 0.07 0.78 0.00 0.78 -1.23 0.00 0.00 177.57 177.97 3kxp h ASN 148 N 0.23 0.00 0.01 4.19 2.35 -1.42 -2.51 115.58 118.43 3kxp h ASN 148 Ca -0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 3kxp h ASN 148 Cb 1.99 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.36 3kxp h ASN 148 CO 0.25 0.00 -0.07 0.00 -1.65 0.00 0.00 177.43 175.95 3kxp n ALA 149 N -1.95 2.68 -1.67 -0.83 0.00 -1.06 -4.93 120.51 112.75 3kxp n ALA 149 Ca 0.03 -0.54 -0.46 0.00 0.00 0.00 0.00 53.44 52.47 3kxp n ALA 149 Cb 0.36 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.76 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 1.28 1.61 3.54 0.00 0.00 -0.95 -4.89 105.19 105.78 3kxp n GLY 150 Ca 0.16 0.84 -0.46 0.00 0.00 0.00 0.00 46.02 46.56 3kxp n GLY 150 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kxp n SER 151 N 6.90 0.62 -0.60 1.61 2.88 -1.26 -4.94 113.62 118.83 3kxp n SER 151 Ca 0.21 1.16 0.06 0.00 -1.33 0.00 0.00 58.87 58.98 3kxp n SER 151 Cb 0.34 -1.19 0.11 0.00 -0.75 0.00 0.00 64.21 62.72 3kxp n SER 151 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kxp n GLN 152 N 0.88 1.72 -3.42 -1.46 3.00 -1.26 -4.81 117.38 112.03 3kxp n GLN 152 Ca 0.12 -1.65 -0.00 0.00 -0.01 0.00 0.00 57.00 55.46 3kxp n GLN 152 Cb 0.29 -1.27 -0.03 0.00 0.00 0.00 0.00 30.24 29.23 3kxp n GLN 152 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3kxp s LEU 153 N -1.02 -1.17 0.13 1.08 2.96 -1.26 -4.52 118.68 114.88 3kxp s LEU 153 Ca 0.20 1.14 0.06 0.00 -0.22 0.00 0.00 54.13 55.31 3kxp s LEU 153 Cb 0.12 2.09 -0.04 0.00 0.50 0.00 0.00 46.19 48.86 3kxp s LEU 153 CO 0.17 -0.24 -0.02 -0.36 -1.32 0.00 0.00 176.35 174.58 3kxp s PHE 154 N 2.83 2.88 0.19 5.38 0.08 -0.17 -4.96 117.98 124.23 3kxp s PHE 154 Ca 0.07 -0.10 -0.04 0.00 0.12 0.00 0.00 56.93 56.99 3kxp s PHE 154 Cb -0.14 -1.45 0.12 0.00 -0.57 0.00 0.00 43.02 40.99 3kxp s PHE 154 CO -0.19 0.49 1.53 1.49 -0.10 0.00 0.00 175.22 178.43 3kxp h GLU 155 N 3.13 0.61 0.00 0.44 4.81 -1.87 -0.63 114.58 121.07 3kxp h GLU 155 Ca -0.48 -0.35 0.18 0.00 -0.13 0.00 0.00 59.36 58.58 3kxp h GLU 155 Cb 1.18 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 3kxp h GLU 155 CO 0.58 0.96 0.61 -0.40 -0.73 0.00 0.00 179.01 180.02 3kxp n ASP 156 N -3.99 -1.57 -0.15 1.04 5.75 -1.26 -4.64 116.55 111.73 3kxp n ASP 156 Ca -0.03 -1.77 0.05 0.00 -0.01 0.00 0.00 54.79 53.04 3kxp n ASP 156 Cb 0.57 2.54 0.35 0.00 -1.03 0.00 0.00 41.12 43.56 3kxp n ASP 156 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 3kxp h ILE 157 N 1.94 1.06 -0.56 2.12 6.09 -1.96 -1.84 117.51 124.35 3kxp h ILE 157 Ca -0.25 -0.26 0.00 0.00 -1.37 0.00 0.00 64.86 62.98 3kxp h ILE 157 Cb 1.13 0.24 -0.03 0.00 0.47 0.00 0.00 36.82 38.64 3kxp h ILE 157 CO 0.34 0.14 0.35 0.11 -3.07 0.00 0.00 178.15 176.02 3kxp h LYS 158 N 0.75 0.75 -0.57 2.19 1.57 -1.99 -0.84 116.57 118.43 3kxp h LYS 158 Ca 0.28 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.93 3kxp h LYS 158 Cb 0.15 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 3kxp h LYS 158 CO -0.08 0.52 0.11 0.00 -0.57 0.00 0.00 179.45 179.43 3kxp h ALA 159 N 1.18 0.75 0.03 3.86 0.00 -1.76 -1.47 119.26 121.86 3kxp h ALA 159 Ca 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kxp h ALA 159 Cb -0.05 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3kxp h ALA 159 CO -0.04 0.48 -0.03 0.28 0.00 0.00 0.00 179.25 179.94 3kxp h VAL 160 N 0.83 0.93 -0.55 0.00 2.07 -1.06 0.29 116.25 118.76 3kxp h VAL 160 Ca 0.17 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.74 3kxp h VAL 160 Cb 0.39 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 3kxp h VAL 160 CO 0.01 0.00 0.30 -0.33 0.02 0.00 0.00 177.57 177.57 3kxp h GLU 161 N -0.07 0.56 -0.56 1.57 5.08 -1.03 -0.06 114.58 120.08 3kxp h GLU 161 Ca 0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3kxp h GLU 161 Cb 0.07 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 3kxp h GLU 161 CO -0.01 0.37 0.30 0.00 -1.00 0.00 0.00 179.01 178.67 3kxp h ALA 162 N 1.28 0.72 -0.39 3.43 0.00 -0.99 -1.36 119.26 121.95 3kxp h ALA 162 Ca 0.24 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kxp h ALA 162 Cb 0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3kxp h ALA 162 CO -0.15 0.24 0.24 -0.92 0.00 0.00 0.00 179.25 178.66 3kxp h TYR 163 N 0.75 0.51 -0.65 0.00 3.20 -0.33 -2.66 116.97 117.79 3kxp h TYR 163 Ca 0.20 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.98 3kxp h TYR 163 Cb 0.05 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.13 3kxp h TYR 163 CO -0.01 0.36 0.08 -0.07 -1.64 0.00 0.00 178.16 176.87 3kxp h LEU 164 N 0.51 1.06 -0.68 2.82 3.38 -0.79 -2.43 115.31 119.19 3kxp h LEU 164 Ca 0.14 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3kxp h LEU 164 Cb -0.00 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 3kxp h LEU 164 CO -0.03 1.07 0.42 0.00 0.09 0.00 0.00 178.44 179.99 3kxp h ALA 165 N 1.05 0.86 0.00 1.53 0.00 -1.12 0.15 119.26 121.73 3kxp h ALA 165 Ca 0.20 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3kxp h ALA 165 Cb 0.48 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3kxp h ALA 165 CO 0.02 0.32 -0.36 0.78 0.00 0.00 0.00 179.25 180.01 3kxp h GLY 166 N 0.92 0.00 1.59 0.00 0.00 -1.35 -1.97 103.07 102.26 3kxp h GLY 166 Ca 0.24 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.31 3kxp h GLY 166 CO -0.05 0.00 -1.28 -0.09 0.00 0.00 0.00 176.54 175.13 3kxp h ARG 167 N 0.00 0.20 -2.22 4.80 2.43 -0.89 -3.38 114.38 115.32 3kxp h ARG 167 Ca -0.00 -0.34 -0.59 0.00 -0.81 0.00 0.00 59.98 58.24 3kxp h ARG 167 Cb 0.74 0.13 -0.41 0.00 -0.42 0.00 0.00 29.97 30.01 3kxp h ARG 167 CO 0.05 1.12 -0.79 0.66 -1.51 0.00 0.00 179.97 179.50 3kxp n TYR 168 N -3.46 1.95 0.12 2.20 4.02 0.46 -4.98 117.16 117.47 3kxp n TYR 168 Ca -0.09 -3.91 0.19 0.00 -0.01 0.00 0.00 57.90 54.08 3kxp n TYR 168 Cb 1.01 -0.44 0.77 0.00 -0.02 0.00 0.00 39.34 40.66 3kxp n TYR 168 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3kxp h PRO 169 N 4.32 0.00 0.00 -0.72 0.13 -1.55 -2.22 132.00 131.96 3kxp h PRO 169 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3kxp h PRO 169 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3kxp h PRO 169 CO 0.67 0.00 -0.61 0.09 -0.23 0.00 0.00 178.00 177.92 3kxp n ASN 170 N -3.82 0.58 -4.72 1.44 3.02 -1.26 -4.88 115.26 105.62 3kxp n ASN 170 Ca 0.05 -0.32 -0.42 0.00 -0.03 0.00 0.00 54.58 53.87 3kxp n ASN 170 Cb 0.51 0.38 -0.03 0.00 -0.61 0.00 0.00 39.78 40.03 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 -3.03 3.95 0.61 2.41 1.01 -0.84 -4.79 121.20 120.52 3kxp s ILE 171 Ca 0.10 1.45 -0.19 0.00 0.00 0.00 0.00 60.65 62.00 3kxp s ILE 171 Cb 0.17 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 3kxp s ILE 171 CO 0.73 0.14 1.28 -2.65 0.00 0.00 0.00 174.94 174.44 3kxp n PRO 172 N 3.62 1.30 -0.25 2.79 -0.02 -1.26 -4.79 135.00 136.39 3kxp n PRO 172 Ca 0.08 0.50 0.06 0.00 -2.02 0.00 0.00 63.50 62.11 3kxp n PRO 172 Cb 0.46 -2.51 0.18 0.00 -0.02 0.00 0.00 33.50 31.62 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 0.86 0.96 -0.95 3.55 0.00 -1.98 -1.37 119.26 120.33 3kxp h ALA 173 Ca -0.51 0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.60 3kxp h ALA 173 Cb 1.33 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 19.31 3kxp h ALA 173 CO 0.54 -0.34 0.63 0.38 0.00 0.00 0.00 179.25 180.45 3kxp h ASP 174 N 0.26 1.06 0.57 0.00 3.04 -2.00 -1.40 116.42 117.96 3kxp h ASP 174 Ca 0.42 -0.02 -0.14 0.00 -3.24 0.00 0.00 57.03 54.05 3kxp h ASP 174 Cb 0.72 -0.26 -0.02 0.00 -1.04 0.00 0.00 39.33 38.74 3kxp h ASP 174 CO -0.52 0.75 -0.66 0.00 -2.04 0.00 0.00 179.24 176.77 3kxp h ALA 175 N 1.43 0.87 -0.41 4.15 0.00 -1.64 -2.40 119.26 121.25 3kxp h ALA 175 Ca 0.36 -0.59 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 3kxp h ALA 175 Cb -0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3kxp h ALA 175 CO -0.09 0.80 0.00 0.82 0.00 0.00 0.00 179.25 180.78 3kxp h ILE 176 N 0.05 1.26 -0.79 0.00 1.08 -0.76 -1.73 117.51 116.63 3kxp h ILE 176 Ca -0.01 -1.02 -0.01 0.00 -0.39 0.00 0.00 64.86 63.43 3kxp h ILE 176 Cb 1.17 1.10 -0.04 0.00 -3.07 0.00 0.00 36.82 35.99 3kxp h ILE 176 CO 0.09 0.35 0.44 -0.09 -0.69 0.00 0.00 178.15 178.24 3kxp h ARG 177 N 0.56 1.10 -0.28 2.37 2.43 -1.12 0.38 114.38 119.82 3kxp h ARG 177 Ca 0.12 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3kxp h ARG 177 Cb 0.48 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3kxp h ARG 177 CO 0.02 0.81 0.18 0.82 -1.51 0.00 0.00 179.97 180.30 3kxp h ILE 178 N 1.10 1.07 -0.90 1.20 2.04 -1.25 -0.46 117.51 120.31 3kxp h ILE 178 Ca 0.28 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 66.03 3kxp h ILE 178 Cb 0.03 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 3kxp h ILE 178 CO -0.05 0.07 0.59 0.03 0.00 0.00 0.00 178.15 178.79 3kxp h ARG 179 N 0.38 1.14 -0.53 2.37 3.08 -0.71 -2.12 114.38 117.99 3kxp h ARG 179 Ca 0.10 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 3kxp h ARG 179 Cb -0.04 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.73 3kxp h ARG 179 CO -0.02 0.75 -0.03 0.00 -1.07 0.00 0.00 179.97 179.60 3kxp h ALA 180 N 1.35 0.96 -0.09 0.04 0.00 -0.38 -0.54 119.26 120.60 3kxp h ALA 180 Ca 0.35 -0.30 -0.24 0.00 0.00 0.00 0.00 54.91 54.72 3kxp h ALA 180 Cb -0.06 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.54 3kxp h ALA 180 CO -0.10 0.63 -0.88 0.93 0.00 0.00 0.00 179.25 179.82 3kxp h GLU 181 N 0.84 0.76 0.00 0.00 5.08 -0.83 -3.33 114.58 117.10 3kxp h GLU 181 Ca 0.15 -0.70 -0.17 0.00 -1.00 0.00 0.00 59.36 57.64 3kxp h GLU 181 Cb 0.54 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 3kxp h GLU 181 CO 0.03 1.29 -1.60 -1.13 -1.00 0.00 0.00 179.01 176.60 3kxp n SER 182 N -3.91 0.64 0.10 1.42 3.41 -0.82 -4.44 113.62 110.02 3kxp n SER 182 Ca -0.09 0.28 0.12 0.00 -0.26 0.00 0.00 58.87 58.92 3kxp n SER 182 Cb 0.80 0.49 0.14 0.00 -0.26 0.00 0.00 64.21 65.38 3kxp n SER 182 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3kxp h GLY 183 N 3.80 0.00 -4.76 5.00 0.00 -1.25 -3.47 103.07 102.39 3kxp h GLY 183 Ca -0.19 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.46 3kxp h GLY 183 CO 0.04 0.00 -0.88 -0.19 0.00 0.00 0.00 176.54 175.51 3kxp s TYR 184 N -3.23 2.25 0.04 5.60 1.51 -1.25 -0.09 117.35 122.18 3kxp s TYR 184 Ca 0.05 -0.50 0.06 0.00 -1.01 0.00 0.00 57.07 55.67 3kxp s TYR 184 Cb 0.11 -1.46 -0.03 0.00 -0.11 0.00 0.00 41.96 40.47 3kxp s TYR 184 CO 0.72 -0.09 -0.14 1.14 -1.11 0.00 0.00 175.55 176.07 3kxp s GLN 185 N -0.45 2.20 0.17 -0.62 -2.07 0.82 -4.85 119.66 114.86 3kxp s GLN 185 Ca 0.06 -0.92 -0.30 0.00 -1.82 0.00 0.00 55.36 52.38 3kxp s GLN 185 Cb -0.11 -2.28 -0.08 0.00 -1.09 0.00 0.00 33.01 29.45 3kxp s GLN 185 CO 0.00 0.55 1.17 -1.25 -1.32 0.00 0.00 175.29 174.44 3kxp s PRO 186 N -1.52 4.51 0.15 9.60 0.04 -1.26 -0.64 135.00 145.88 3kxp s PRO 186 Ca 0.16 1.81 -0.02 0.00 0.04 0.00 0.00 61.00 62.99 3kxp s PRO 186 Cb -0.11 -3.26 0.01 0.00 0.04 0.00 0.00 34.50 31.18 3kxp s PRO 186 CO 0.07 -0.06 0.23 1.55 0.04 0.00 0.00 177.00 178.83 3kxp n VAL 187 N 2.64 0.00 -1.73 -0.36 3.14 0.55 -4.94 118.33 117.64 3kxp n VAL 187 Ca 0.04 -0.64 -0.42 0.00 -2.96 0.00 0.00 64.34 60.36 3kxp n VAL 187 Cb 0.45 0.43 -0.03 0.00 -1.06 0.00 0.00 33.84 33.64 3kxp n VAL 187 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 3kxp s ASP 188 N -1.87 6.19 0.00 6.55 1.11 -1.26 -2.06 116.67 125.33 3kxp s ASP 188 Ca 0.10 2.32 0.00 0.00 0.18 0.00 0.00 52.55 55.16 3kxp s ASP 188 Cb -0.01 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.46 3kxp s ASP 188 CO 0.08 -1.31 0.00 0.61 1.18 0.00 0.00 175.17 175.73 3kxp n GLY 189 N 4.85 0.89 0.00 0.21 0.00 -1.26 -4.96 105.19 104.92 3kxp n GLY 189 Ca 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3kxp n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kxp n GLY 190 N -2.19 0.13 3.65 -0.02 0.00 -0.87 -4.66 105.19 101.23 3kxp n GLY 190 Ca 0.00 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 43.84 3kxp n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kxp s LEU 191 N 0.00 3.42 0.06 0.99 2.01 -0.24 -0.33 118.68 124.58 3kxp s LEU 191 Ca 0.00 0.03 0.06 0.00 0.01 0.00 0.00 54.13 54.23 3kxp s LEU 191 Cb 0.00 -1.84 -0.03 0.00 0.01 0.00 0.00 46.19 44.34 3kxp s LEU 191 CO 0.00 0.34 -0.16 -0.60 1.01 0.00 0.00 176.35 176.94 3kxp s ARG 192 N -1.09 1.02 0.39 1.70 3.52 0.19 -1.00 118.95 123.68 3kxp s ARG 192 Ca 0.15 -0.90 -0.27 0.00 -0.13 0.00 0.00 55.73 54.58 3kxp s ARG 192 Cb -0.11 -1.09 -0.10 0.00 -1.56 0.00 0.00 34.95 32.09 3kxp s ARG 192 CO 0.05 0.26 1.40 -2.14 -0.81 0.00 0.00 175.30 174.07 3kxp s PRO 193 N -1.40 4.02 0.32 5.12 0.02 -1.26 -0.13 135.00 141.69 3kxp s PRO 193 Ca 0.03 2.39 0.15 0.00 0.02 0.00 0.00 61.00 63.59 3kxp s PRO 193 Cb -0.09 -2.87 0.50 0.00 0.02 0.00 0.00 34.50 32.07 3kxp s PRO 193 CO 0.02 -0.54 1.66 -0.07 -0.33 0.00 0.00 177.00 177.75 3kxp h LEU 194 N 2.84 0.00 -9.62 -5.54 3.38 -0.82 -3.45 115.31 102.09 3kxp h LEU 194 Ca -0.50 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 56.94 3kxp h LEU 194 Cb 1.24 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.03 3kxp h LEU 194 CO 0.63 0.49 0.77 0.00 0.09 0.00 0.00 178.44 180.43 3kxp s ALA 195 N -3.56 3.65 -0.23 1.53 0.00 -1.26 -4.52 121.76 117.37 3kxp s ALA 195 Ca -0.00 1.24 -0.29 0.00 0.00 0.00 0.00 51.96 52.91 3kxp s ALA 195 Cb 0.11 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 3kxp s ALA 195 CO 0.72 -0.68 1.65 0.45 0.00 0.00 0.00 175.76 177.90 3kxp s SER 196 N 0.87 6.32 0.26 0.00 0.15 -0.45 -4.89 113.70 115.96 3kxp s SER 196 Ca 0.64 1.61 -0.01 0.00 0.70 0.00 0.00 55.95 58.89 3kxp s SER 196 Cb -0.40 -2.53 0.51 0.00 -1.71 0.00 0.00 66.02 61.89 3kxp s SER 196 CO 0.34 -1.31 1.79 0.77 1.20 0.00 0.00 173.24 176.03 3kxp h SER 197 N 10.98 0.65 -0.80 5.45 4.64 -1.92 0.40 113.55 132.95 3kxp h SER 197 Ca -0.34 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.05 3kxp h SER 197 Cb 1.16 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 63.16 3kxp h SER 197 CO 1.00 0.31 0.48 0.00 -0.87 0.00 0.00 176.83 177.75 3kxp h ALA 198 N 1.53 1.32 0.00 5.18 0.00 -1.99 -1.77 119.26 123.53 3kxp h ALA 198 Ca 0.46 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3kxp h ALA 198 Cb 0.56 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3kxp h ALA 198 CO -0.31 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.51 3kxp n ALA 199 N -2.42 1.93 0.00 0.00 0.00 0.13 -2.52 120.51 117.63 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 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 0.76 0.00 0.04 0.00 0.00 -0.67 -0.90 120.51 119.74 3kxp n ALA 201 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3kxp n ALA 201 Cb 0.22 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.76 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 0.44 -0.31 0.00 4.20 -1.76 -2.46 115.11 115.22 3kxp h GLN 202 Ca 0.00 -0.27 -0.15 0.00 0.06 0.00 0.00 58.65 58.29 3kxp h GLN 202 Cb 0.00 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 3kxp h GLN 202 CO 0.00 0.87 -0.39 1.15 -0.67 0.00 0.00 178.83 179.80 3kxp h THR 203 N 0.33 1.29 -0.68 -0.54 2.02 -1.20 -2.13 112.91 112.00 3kxp h THR 203 Ca 0.00 -1.57 0.02 0.00 0.77 0.00 0.00 66.41 65.64 3kxp h THR 203 Cb 1.07 1.57 -0.04 0.00 -1.74 0.00 0.00 68.15 69.01 3kxp h THR 203 CO 0.10 0.51 0.43 0.00 0.37 0.00 0.00 175.52 176.93 3kxp h ALA 204 N 0.71 0.88 -0.59 6.16 0.00 -1.79 -1.28 119.26 123.34 3kxp h ALA 204 Ca 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3kxp h ALA 204 Cb 0.98 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3kxp h ALA 204 CO 0.09 0.21 0.28 0.00 0.00 0.00 0.00 179.25 179.84 3kxp h ARG 205 N 0.85 0.85 0.00 0.00 3.08 -1.39 -2.47 114.38 115.31 3kxp h ARG 205 Ca 0.27 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 3kxp h ARG 205 Cb -0.01 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 3kxp h ARG 205 CO -0.09 0.69 -0.02 0.78 -1.07 0.00 0.00 179.97 180.27 3kxp h GLY 206 N 0.81 0.00 1.94 0.04 0.00 -0.68 -2.31 103.07 102.87 3kxp h GLY 206 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 3kxp h GLY 206 CO -0.02 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.56 3kxp n LEU 207 N -3.15 0.00 -0.42 3.11 4.77 -0.55 -2.62 117.00 118.14 3kxp n LEU 207 Ca -0.01 0.47 0.14 0.00 -0.03 0.00 0.00 56.01 56.58 3kxp n LEU 207 Cb 0.21 -0.47 0.56 0.00 -2.33 0.00 0.00 43.42 41.39 3kxp n LEU 207 CO 0.25 -0.20 0.89 0.54 -1.33 0.00 0.00 177.39 177.54 3kxp n ARG 208 N -1.47 1.58 -2.13 3.23 1.74 -0.87 -4.93 116.66 113.81 3kxp n ARG 208 Ca 0.05 -0.85 -0.35 0.00 -0.77 0.00 0.00 57.85 55.93 3kxp n ARG 208 Cb 0.19 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.18 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 -1.94 5.54 -0.05 0.55 1.04 -1.08 -4.93 113.70 112.84 3kxp s SER 209 Ca 0.38 2.16 -0.30 0.00 0.48 0.00 0.00 55.95 58.67 3kxp s SER 209 Cb 0.21 -2.58 -0.07 0.00 0.10 0.00 0.00 66.02 63.68 3kxp s SER 209 CO 0.33 -1.34 1.88 -0.62 0.98 0.00 0.00 173.24 174.47 3kxp s ASP 210 N -1.93 6.37 0.00 7.02 2.15 -1.26 -4.87 116.67 124.15 3kxp s ASP 210 Ca 0.72 2.34 0.24 0.00 0.43 0.00 0.00 52.55 56.28 3kxp s ASP 210 Cb -0.24 -2.53 0.19 0.00 -0.30 0.00 0.00 42.92 40.04 3kxp s ASP 210 CO 0.30 -1.16 1.26 -0.11 -0.17 0.00 0.00 175.17 175.30 3kxp n LEU 211 N 8.06 3.00 -0.23 -1.34 7.94 -1.26 -4.49 117.00 128.67 3kxp n LEU 211 Ca 0.20 -1.00 -0.00 0.00 -1.11 0.00 0.00 56.01 54.10 3kxp n LEU 211 Cb 0.42 -0.00 0.12 0.00 0.53 0.00 0.00 43.42 44.49 3kxp n LEU 211 CO 0.66 0.50 1.06 0.58 -1.11 0.00 0.00 177.39 179.08 3kxp h VAL 212 N 4.70 0.89 -0.46 1.96 2.07 -1.96 -2.70 116.25 120.75 3kxp h VAL 212 Ca 0.00 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.35 3kxp h VAL 212 Cb 1.00 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 3kxp h VAL 212 CO 0.00 0.11 0.24 -0.65 0.02 0.00 0.00 177.57 177.29 3kxp h PRO 213 N 0.60 0.47 -0.14 1.57 0.11 -1.99 0.47 132.00 133.09 3kxp h PRO 213 Ca 0.32 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.43 3kxp h PRO 213 Cb 0.29 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 3kxp h PRO 213 CO -0.24 0.31 -0.01 0.00 -0.21 0.00 0.00 178.00 177.85 3kxp h ALA 214 N 1.24 0.11 -0.32 -0.75 0.00 -1.79 -0.79 119.26 116.96 3kxp h ALA 214 Ca 0.20 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 3kxp h ALA 214 Cb 0.09 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3kxp h ALA 214 CO -0.13 -0.46 -0.31 1.88 0.00 0.00 0.00 179.25 180.23 3kxp h TYR 215 N 0.03 0.78 -0.23 0.00 -1.99 -1.30 -1.58 116.97 112.68 3kxp h TYR 215 Ca 0.07 -0.20 -0.13 0.00 2.00 0.00 0.00 58.73 60.46 3kxp h TYR 215 Cb 0.09 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 38.63 3kxp h TYR 215 CO -0.16 0.90 -0.41 -0.09 -0.00 0.00 0.00 178.16 178.40 3kxp h ARG 216 N 0.57 0.54 0.00 4.88 2.43 -0.69 -3.31 114.38 118.80 3kxp h ARG 216 Ca 0.07 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 3kxp h ARG 216 Cb 0.81 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 3kxp h ARG 216 CO 0.07 0.86 -1.18 -0.25 -1.51 0.00 0.00 179.97 177.96 3kxp n ASP 217 N -4.02 0.61 -4.69 -3.80 8.00 -0.32 -4.95 116.55 107.38 3kxp n ASP 217 Ca -0.02 0.11 -0.44 0.00 0.71 0.00 0.00 54.79 55.15 3kxp n ASP 217 Cb 0.52 0.83 -0.03 0.00 -0.02 0.00 0.00 41.12 42.41 3kxp n ASP 217 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3kxp n VAL 218 N -2.37 0.24 0.54 2.53 3.14 -0.60 -4.89 118.33 116.92 3kxp n VAL 218 Ca -0.00 -0.06 0.06 0.00 -2.96 0.00 0.00 64.34 61.38 3kxp n VAL 218 Cb 0.52 -1.71 0.05 0.00 -1.06 0.00 0.00 33.84 31.63 3kxp n VAL 218 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 3kxp n THR 219 N 3.24 0.00 -3.98 1.55 -2.24 -1.26 -4.98 114.28 106.61 3kxp n THR 219 Ca 0.15 -0.48 -0.28 0.00 -2.27 0.00 0.00 64.05 61.17 3kxp n THR 219 Cb 0.32 1.25 -0.04 0.00 -2.10 0.00 0.00 70.33 69.76 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 -1.15 3.26 0.19 -0.78 -0.14 -1.26 -5.05 119.74 114.81 3kxp s LYS 220 Ca 0.14 -0.64 -0.32 0.00 -1.36 0.00 0.00 55.97 53.79 3kxp s LYS 220 Cb 0.11 -2.88 -0.15 0.00 -1.68 0.00 0.00 37.83 33.23 3kxp s LYS 220 CO 0.18 0.53 1.23 -2.30 -0.76 0.00 0.00 175.35 174.24 3kxp n PRO 221 N -0.24 1.42 -4.16 -1.68 -0.02 -1.26 -4.84 135.00 124.23 3kxp n PRO 221 Ca -0.07 0.51 -0.19 0.00 -2.02 0.00 0.00 63.50 61.72 3kxp n PRO 221 Cb 0.53 -2.05 -0.16 0.00 -0.02 0.00 0.00 33.50 31.80 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 -0.16 0.51 -0.24 -1.45 1.01 -1.26 -1.05 120.40 117.76 3kxp s VAL 222 Ca 0.72 -0.12 -0.09 0.00 0.00 0.00 0.00 61.98 62.49 3kxp s VAL 222 Cb -0.79 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 3kxp s VAL 222 CO 0.51 0.21 0.12 -0.22 0.00 0.00 0.00 175.10 175.72 3kxp s LEU 223 N 0.84 3.81 -0.30 3.92 2.96 0.77 -3.88 118.68 126.80 3kxp s LEU 223 Ca -0.11 -0.03 -0.13 0.00 -0.22 0.00 0.00 54.13 53.64 3kxp s LEU 223 Cb -0.14 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 3kxp s LEU 223 CO 0.00 0.03 0.25 -0.63 -1.32 0.00 0.00 176.35 174.68 3kxp s ILE 224 N 1.27 5.26 -0.10 6.68 1.01 -0.76 -0.38 121.20 134.18 3kxp s ILE 224 Ca 0.06 0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.89 3kxp s ILE 224 Cb -0.14 -3.63 -0.01 0.00 0.01 0.00 0.00 42.46 38.68 3kxp s ILE 224 CO 0.05 0.14 -0.19 -0.69 0.00 0.00 0.00 174.94 174.26 3kxp s VAL 225 N 1.84 2.59 0.01 2.92 1.01 -0.51 -0.92 120.40 127.34 3kxp s VAL 225 Ca 0.09 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.26 3kxp s VAL 225 Cb -0.16 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 3kxp s VAL 225 CO 0.11 0.55 -0.12 -0.60 0.00 0.00 0.00 175.10 175.04 3kxp s ARG 226 N 0.11 0.92 0.24 2.72 3.52 -0.22 0.42 118.95 126.66 3kxp s ARG 226 Ca -0.09 -0.52 -0.30 0.00 -0.13 0.00 0.00 55.73 54.70 3kxp s ARG 226 Cb -0.15 -0.90 -0.09 0.00 -1.56 0.00 0.00 34.95 32.25 3kxp s ARG 226 CO 0.06 0.24 1.08 0.20 -0.81 0.00 0.00 175.30 176.07 3kxp s GLY 227 N -0.54 2.99 0.39 8.12 0.00 -1.25 -0.44 107.32 116.59 3kxp s GLY 227 Ca 0.03 0.84 0.06 0.00 0.00 0.00 0.00 44.72 45.65 3kxp s GLY 227 CO 0.00 1.53 2.03 -2.09 0.00 0.00 0.00 173.10 174.57 3kxp h GLU 228 N 4.32 0.59 -0.30 2.90 4.81 0.31 -2.42 114.58 124.79 3kxp h GLU 228 Ca -0.46 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 58.64 3kxp h GLU 228 Cb 1.21 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.41 3kxp h GLU 228 CO 0.69 0.42 -0.02 -1.13 -0.73 0.00 0.00 179.01 178.24 3kxp n SER 229 N -4.44 3.18 -4.77 1.04 3.41 -0.57 -4.95 113.62 106.52 3kxp n SER 229 Ca 0.03 -3.36 -0.41 0.00 -0.26 0.00 0.00 58.87 54.87 3kxp n SER 229 Cb 0.08 -0.58 -0.01 0.00 -0.26 0.00 0.00 64.21 63.44 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 -2.24 6.39 0.00 4.04 0.15 -0.91 -4.61 113.70 116.52 3kxp s SER 230 Ca 0.43 2.99 0.19 0.00 0.70 0.00 0.00 55.95 60.26 3kxp s SER 230 Cb 0.37 -2.65 0.01 0.00 -1.71 0.00 0.00 66.02 62.03 3kxp s SER 230 CO 0.05 -0.86 0.98 0.29 1.20 0.00 0.00 173.24 174.89 3kxp n LYS 231 N 1.11 1.49 -0.09 5.44 5.02 -1.26 -4.38 118.16 125.48 3kxp n LYS 231 Ca 0.03 -0.97 -0.23 0.00 -2.02 0.00 0.00 58.31 55.12 3kxp n LYS 231 Cb 0.39 -1.37 -0.12 0.00 -0.02 0.00 0.00 35.03 33.90 3kxp n LYS 231 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3kxp n LEU 232 N 0.03 2.26 -4.27 -0.35 -0.00 -1.26 -4.72 117.00 108.68 3kxp n LEU 232 Ca 0.08 0.26 -0.41 0.00 -0.00 0.00 0.00 56.01 55.94 3kxp n LEU 232 Cb 0.41 -0.96 -0.09 0.00 -0.00 0.00 0.00 43.42 42.78 3kxp n LEU 232 CO 0.23 0.61 -0.07 -0.69 -0.00 0.00 0.00 177.39 177.46 3kxp s VAL 233 N -2.47 4.35 0.63 1.96 1.01 -1.26 -4.63 120.40 119.99 3kxp s VAL 233 Ca -0.31 -1.42 -0.12 0.00 0.00 0.00 0.00 61.98 60.13 3kxp s VAL 233 Cb 0.09 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 3kxp s VAL 233 CO 0.61 -0.56 1.04 -0.94 0.00 0.00 0.00 175.10 175.24 3kxp s SER 234 N 2.28 6.01 0.37 3.32 1.04 -1.26 -4.56 113.70 120.89 3kxp s SER 234 Ca 0.04 1.51 0.04 0.00 0.48 0.00 0.00 55.95 58.01 3kxp s SER 234 Cb -0.24 -2.48 0.69 0.00 0.10 0.00 0.00 66.02 64.09 3kxp s SER 234 CO 0.02 -1.02 2.01 0.00 0.98 0.00 0.00 173.24 175.23 3kxp h ALA 235 N -0.28 1.57 -0.71 5.32 0.00 -1.92 -1.28 119.26 121.96 3kxp h ALA 235 Ca -0.44 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 3kxp h ALA 235 Cb 1.20 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3kxp h ALA 235 CO 0.60 0.38 0.26 0.00 0.00 0.00 0.00 179.25 180.50 3kxp h ALA 236 N 1.63 0.93 -0.39 0.00 0.00 -1.99 -0.16 119.26 119.29 3kxp h ALA 236 Ca 0.20 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3kxp h ALA 236 Cb -0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3kxp h ALA 236 CO -0.04 0.57 0.05 0.00 0.00 0.00 0.00 179.25 179.83 3kxp h ALA 237 N 1.12 0.51 -0.10 0.00 0.00 -1.56 -2.44 119.26 116.80 3kxp h ALA 237 Ca 0.24 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3kxp h ALA 237 Cb 0.24 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3kxp h ALA 237 CO -0.02 0.24 -0.23 1.25 0.00 0.00 0.00 179.25 180.50 3kxp h LEU 238 N 0.49 0.16 -0.52 0.00 5.85 -1.01 -1.66 115.31 118.61 3kxp h LEU 238 Ca 0.12 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 3kxp h LEU 238 Cb 0.39 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3kxp h LEU 238 CO 0.01 0.39 0.16 0.00 -0.34 0.00 0.00 178.44 178.66 3kxp h ALA 239 N 1.62 0.68 -0.44 1.25 0.00 -0.67 -1.40 119.26 120.31 3kxp h ALA 239 Ca 0.03 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 3kxp h ALA 239 Cb 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3kxp h ALA 239 CO 0.03 0.34 -0.14 0.87 0.00 0.00 0.00 179.25 180.36 3kxp h LYS 240 N 0.71 0.86 -0.38 0.00 1.57 -1.14 -2.28 116.57 115.91 3kxp h LYS 240 Ca 0.17 -0.35 0.06 0.00 -1.87 0.00 0.00 60.65 58.66 3kxp h LYS 240 Cb 0.28 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 3kxp h LYS 240 CO -0.00 0.98 0.07 1.15 -0.57 0.00 0.00 179.45 181.08 3kxp h THR 241 N 0.69 0.80 0.00 -0.16 2.02 -1.08 -0.36 112.91 114.82 3kxp h THR 241 Ca 0.11 -0.07 -0.06 0.00 0.77 0.00 0.00 66.41 67.16 3kxp h THR 241 Cb 0.69 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 3kxp h THR 241 CO 0.05 0.04 -0.26 0.28 0.37 0.00 0.00 175.52 175.99 3kxp h SER 242 N 0.20 0.00 -0.43 4.18 0.02 -1.18 -0.48 113.55 115.85 3kxp h SER 242 Ca 0.18 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.06 3kxp h SER 242 Cb 0.22 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 3kxp h SER 242 CO -0.24 0.26 -0.02 -0.09 -1.14 0.00 0.00 176.83 175.60 3kxp h ARG 243 N 0.00 0.78 -0.27 3.45 9.65 -0.56 -0.62 114.38 126.81 3kxp h ARG 243 Ca -0.00 -0.26 -0.02 0.00 -1.10 0.00 0.00 59.98 58.60 3kxp h ARG 243 Cb 0.53 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.04 3kxp h ARG 243 CO 0.03 0.86 0.08 1.25 2.80 0.00 0.00 179.97 185.00 3kxp h LEU 244 N 0.61 0.39 -6.72 3.80 7.12 -0.41 -3.37 115.31 116.73 3kxp h LEU 244 Ca 0.12 -0.20 -0.60 0.00 0.13 0.00 0.00 57.88 57.32 3kxp h LEU 244 Cb 0.52 -0.10 -0.40 0.00 -0.53 0.00 0.00 40.66 40.15 3kxp h LEU 244 CO 0.03 0.49 -0.79 -0.13 -0.13 0.00 0.00 178.44 177.91 3kxp s ARG 245 N -5.40 1.49 0.52 1.25 1.81 -0.25 -4.97 118.95 113.40 3kxp s ARG 245 Ca -0.13 -2.49 0.33 0.00 -1.72 0.00 0.00 55.73 51.72 3kxp s ARG 245 Cb 0.08 -2.26 1.46 0.00 -0.45 0.00 0.00 34.95 33.78 3kxp s ARG 245 CO 0.73 -1.31 1.99 -1.00 -0.68 0.00 0.00 175.30 175.03 3kxp h PRO 246 N 5.78 0.00 0.00 3.54 0.13 -1.28 -3.01 132.00 137.16 3kxp h PRO 246 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3kxp h PRO 246 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3kxp h PRO 246 CO 0.51 0.00 0.00 0.38 -0.23 0.00 0.00 178.00 178.66 3kxp h ASP 247 N 0.00 0.00 -3.10 1.44 3.04 -1.93 -3.44 116.42 112.43 3kxp h ASP 247 Ca 0.00 0.00 -0.57 0.00 -3.24 0.00 0.00 57.03 53.22 3kxp h ASP 247 Cb 0.40 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.65 3kxp h ASP 247 CO 0.00 0.00 0.73 -0.76 -2.04 0.00 0.00 179.24 177.17 3kxp s LEU 248 N -5.51 4.20 0.56 0.15 1.43 -1.14 -5.00 118.68 113.37 3kxp s LEU 248 Ca 0.06 1.58 -0.21 0.00 -1.03 0.00 0.00 54.13 54.54 3kxp s LEU 248 Cb 0.08 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.70 3kxp s LEU 248 CO 0.58 -0.60 1.17 -0.81 0.23 0.00 0.00 176.35 176.92 3kxp n PRO 249 N 5.75 1.32 -4.48 1.29 -0.04 -1.25 -4.86 135.00 132.72 3kxp n PRO 249 Ca 0.11 0.49 -0.21 0.00 -0.04 0.00 0.00 63.50 63.86 3kxp n PRO 249 Cb 0.47 -2.36 -0.14 0.00 -0.04 0.00 0.00 33.50 31.42 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 -1.37 1.03 -0.06 0.52 1.01 -1.26 -1.84 120.40 118.43 3kxp s VAL 250 Ca 0.73 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.00 3kxp s VAL 250 Cb -0.43 -0.89 0.02 0.00 0.00 0.00 0.00 36.38 35.08 3kxp s VAL 250 CO 0.49 0.17 -0.03 -0.69 0.00 0.00 0.00 175.10 175.04 3kxp s VAL 251 N -0.51 0.53 -0.27 2.92 1.01 -0.09 -4.97 120.40 119.02 3kxp s VAL 251 Ca 0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 3kxp s VAL 251 Cb -0.06 -0.61 0.03 0.00 0.00 0.00 0.00 36.38 35.75 3kxp s VAL 251 CO 0.00 0.25 -0.03 -0.69 0.00 0.00 0.00 175.10 174.63 3kxp s VAL 252 N 1.39 2.95 -0.21 2.92 1.01 -1.26 -1.06 120.40 126.13 3kxp s VAL 252 Ca -0.03 -1.16 -0.28 0.00 0.00 0.00 0.00 61.98 60.51 3kxp s VAL 252 Cb -0.13 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.67 3kxp s VAL 252 CO -0.03 0.07 0.96 -0.69 0.00 0.00 0.00 175.10 175.42 3kxp s VAL 253 N 1.30 4.75 0.30 2.92 1.01 0.42 -4.83 120.40 126.27 3kxp s VAL 253 Ca -0.02 1.88 -0.28 0.00 0.00 0.00 0.00 61.98 63.55 3kxp s VAL 253 Cb -0.18 -4.24 -0.09 0.00 0.00 0.00 0.00 36.38 31.86 3kxp s VAL 253 CO -0.03 -0.11 1.08 -2.84 0.00 0.00 0.00 175.10 173.20 3kxp s PRO 254 N 2.85 4.55 0.00 2.72 0.02 -1.26 -0.34 135.00 143.53 3kxp s PRO 254 Ca 0.42 1.72 0.00 0.00 0.02 0.00 0.00 61.00 63.16 3kxp s PRO 254 Cb -0.16 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.31 3kxp s PRO 254 CO 0.08 0.16 0.00 0.41 -0.33 0.00 0.00 177.00 177.32 3kxp n GLY 255 N 1.03 2.27 3.85 0.52 0.00 -1.26 -4.92 105.19 106.68 3kxp n GLY 255 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.26 3.79 0.04 4.61 0.00 -1.21 -4.95 121.76 120.77 3kxp s ALA 256 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.29 3kxp s ALA 256 Cb 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.23 3kxp s ALA 256 CO 0.00 0.62 0.00 -0.40 0.00 0.00 0.00 175.76 175.98 3kxp n ASP 257 N 1.97 0.00 0.12 0.00 3.85 -1.26 -1.51 116.55 119.72 3kxp n ASP 257 Ca -0.19 0.00 0.01 0.00 -0.71 0.00 0.00 54.79 53.89 3kxp n ASP 257 Cb 0.55 0.00 0.32 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 0.22 -0.96 2.11 -0.00 -1.90 -3.32 115.15 111.30 3kxp h HIS 258 Ca 0.00 -0.04 -0.73 0.00 -0.00 0.00 0.00 60.37 59.60 3kxp h HIS 258 Cb 0.00 -0.06 -0.10 0.00 -0.00 0.00 0.00 27.41 27.25 3kxp h HIS 258 CO 0.00 0.46 2.61 0.66 -0.00 0.00 0.00 177.93 181.66 3kxp n TYR 259 N -4.15 2.67 0.05 5.26 4.01 -1.26 -4.83 117.16 118.91 3kxp n TYR 259 Ca -0.01 -2.87 -0.08 0.00 -0.16 0.00 0.00 57.90 54.78 3kxp n TYR 259 Cb 0.37 -1.99 -0.05 0.00 -0.31 0.00 0.00 39.34 37.36 3kxp n TYR 259 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3kxp h VAL 260 N 2.95 0.00 -0.74 -0.72 2.07 -1.94 0.07 116.25 117.94 3kxp h VAL 260 Ca 0.66 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.36 3kxp h VAL 260 Cb 0.38 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.11 3kxp h VAL 260 CO 1.58 0.00 0.51 -0.55 0.02 0.00 0.00 177.57 179.13 3kxp h ASN 261 N -0.36 0.23 0.59 0.57 7.08 -1.88 0.34 115.58 122.16 3kxp h ASN 261 Ca -0.00 0.02 -0.28 0.00 -3.08 0.00 0.00 56.30 52.96 3kxp h ASN 261 Cb 0.36 -0.03 -0.04 0.00 -2.08 0.00 0.00 38.32 36.54 3kxp h ASN 261 CO -0.14 0.11 -1.52 -0.33 -2.08 0.00 0.00 177.43 173.47 3kxp h GLU 262 N 0.24 0.05 0.15 4.14 5.08 -1.90 -3.20 114.58 119.14 3kxp h GLU 262 Ca 0.36 -0.09 -0.34 0.00 -1.00 0.00 0.00 59.36 58.29 3kxp h GLU 262 Cb 1.08 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 3kxp h GLU 262 CO -0.08 0.76 -1.73 0.28 -1.00 0.00 0.00 179.01 177.24 3kxp h VAL 263 N 0.01 0.94 -2.25 3.13 2.07 -0.39 -3.41 116.25 116.35 3kxp h VAL 263 Ca -0.22 -2.57 -0.59 0.00 0.82 0.00 0.00 66.70 64.13 3kxp h VAL 263 Cb 1.95 2.70 -0.41 0.00 -1.52 0.00 0.00 31.29 34.01 3kxp h VAL 263 CO 0.11 0.84 -0.70 -1.20 0.02 0.00 0.00 177.57 176.63 3kxp n SER 264 N -3.51 2.85 -0.31 0.57 7.64 0.12 -4.95 113.62 116.04 3kxp n SER 264 Ca -0.23 -3.24 -0.05 0.00 1.01 0.00 0.00 58.87 56.36 3kxp n SER 264 Cb 1.06 -0.67 0.07 0.00 -1.01 0.00 0.00 64.21 63.67 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 4.31 1.16 0.05 1.43 0.13 -1.72 -2.20 132.00 135.16 3kxp h PRO 265 Ca 0.17 -0.13 -0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3kxp h PRO 265 Cb 0.72 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.62 3kxp h PRO 265 CO 0.74 0.85 -0.02 0.93 -0.23 0.00 0.00 178.00 180.26 3kxp h GLU 266 N 1.16 -0.06 -0.77 0.86 4.39 -1.92 -1.54 114.58 116.69 3kxp h GLU 266 Ca 0.29 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.99 3kxp h GLU 266 Cb 0.03 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 3kxp h GLU 266 CO -0.05 0.35 0.44 0.82 -1.16 0.00 0.00 179.01 179.41 3kxp h ILE 267 N -0.49 1.22 -0.21 3.13 2.04 -1.98 -1.33 117.51 119.88 3kxp h ILE 267 Ca -0.01 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 3kxp h ILE 267 Cb 0.44 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 3kxp h ILE 267 CO 0.01 0.24 0.09 0.74 0.00 0.00 0.00 178.15 179.23 3kxp h THR 268 N 1.07 1.16 -0.37 -0.27 2.02 -1.34 0.73 112.91 115.90 3kxp h THR 268 Ca 0.27 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 67.00 3kxp h THR 268 Cb -0.00 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 3kxp h THR 268 CO -0.05 0.15 0.23 0.25 0.37 0.00 0.00 175.52 176.48 3kxp h LEU 269 N 0.20 0.38 -0.71 2.58 5.85 -0.93 -0.83 115.31 121.86 3kxp h LEU 269 Ca 0.07 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.80 3kxp h LEU 269 Cb 0.16 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 3kxp h LEU 269 CO -0.01 0.28 0.47 0.50 -0.34 0.00 0.00 178.44 179.34 3kxp h LYS 270 N 0.47 0.92 -0.59 1.25 3.11 -1.00 -0.44 116.57 120.30 3kxp h LYS 270 Ca 0.14 -0.06 -0.06 0.00 -2.81 0.00 0.00 60.65 57.87 3kxp h LYS 270 Cb -0.02 -0.21 -0.03 0.00 -1.00 0.00 0.00 32.23 30.97 3kxp h LYS 270 CO -0.05 0.61 0.13 0.00 -2.81 0.00 0.00 179.45 177.33 3kxp h ALA 271 N 1.27 1.12 -0.37 5.00 0.00 -0.50 -1.44 119.26 124.33 3kxp h ALA 271 Ca 0.26 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3kxp h ALA 271 Cb -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3kxp h ALA 271 CO -0.06 0.59 -0.03 0.82 0.00 0.00 0.00 179.25 180.56 3kxp h ILE 272 N 0.88 1.27 -0.15 0.00 2.04 -0.38 -2.74 117.51 118.43 3kxp h ILE 272 Ca 0.19 -1.06 -0.12 0.00 1.00 0.00 0.00 64.86 64.87 3kxp h ILE 272 Cb 0.34 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 3kxp h ILE 272 CO 0.00 0.35 -0.44 0.71 0.00 0.00 0.00 178.15 178.78 3kxp h THR 273 N 0.49 1.32 -0.00 -0.27 1.35 -0.91 -2.30 112.91 112.59 3kxp h THR 273 Ca 0.10 -1.61 -0.05 0.00 -0.55 0.00 0.00 66.41 64.31 3kxp h THR 273 Cb 0.52 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.62 3kxp h THR 273 CO 0.03 0.49 -0.24 0.78 -0.25 0.00 0.00 175.52 176.32 3kxp h ASN 274 N 0.29 0.00 0.17 5.36 2.35 -1.19 -0.70 115.58 121.87 3kxp h ASN 274 Ca 0.02 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3kxp h ASN 274 Cb 0.89 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.26 3kxp h ASN 274 CO 0.07 0.24 -0.08 0.15 -1.65 0.00 0.00 177.43 176.16 3kxp h PHE 275 N 0.00 -0.22 0.00 1.19 -0.00 -1.18 -3.32 116.94 113.41 3kxp h PHE 275 Ca -0.00 -0.01 -0.04 0.00 -0.00 0.00 0.00 57.97 57.92 3kxp h PHE 275 Cb 0.43 0.07 -0.01 0.00 -0.00 0.00 0.00 35.95 36.45 3kxp h PHE 275 CO 0.00 0.02 -0.20 -0.84 -0.00 0.00 0.00 178.31 177.28 3kxp h ILE 276 N -1.02 0.36 -0.01 1.41 3.07 -1.44 -3.29 117.51 116.58 3kxp h ILE 276 Ca -0.02 -1.46 0.00 0.00 1.55 0.00 0.00 64.86 64.92 3kxp h ILE 276 Cb 0.33 2.14 0.00 0.00 -0.27 0.00 0.00 36.82 39.02 3kxp h ILE 276 CO 0.04 0.20 -0.11 0.47 -1.05 0.00 0.00 178.15 177.70 3kxp n ASP 277 N -3.16 1.52 0.00 2.16 8.00 -0.27 -5.09 116.55 119.71 3kxp n ASP 277 Ca 0.03 -1.35 0.05 0.00 0.71 0.00 0.00 54.79 54.23 3kxp n ASP 277 Cb 0.60 0.07 0.32 0.00 -0.02 0.00 0.00 41.12 42.09 3kxp n ASP 277 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81