#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 3.56 -0.09 4.41 0.40 -1.26 -4.89 117.98 120.12 3kxp s PHE 12 Ca 0.00 0.71 -0.01 0.00 -0.60 0.00 0.00 56.93 57.03 3kxp s PHE 12 Cb 0.00 -2.10 -0.03 0.00 0.51 0.00 0.00 43.02 41.39 3kxp s PHE 12 CO 0.00 0.51 -0.03 0.96 0.70 0.00 0.00 175.22 177.36 3kxp s ILE 13 N -1.43 4.01 0.18 0.64 -4.36 -0.97 -4.90 121.20 114.36 3kxp s ILE 13 Ca 0.34 -0.36 0.09 0.00 -0.26 0.00 0.00 60.65 60.46 3kxp s ILE 13 Cb -0.13 -2.68 -0.04 0.00 1.25 0.00 0.00 42.46 40.86 3kxp s ILE 13 CO 0.19 0.59 -0.11 -0.44 0.24 0.00 0.00 174.94 175.41 3kxp s SER 14 N -0.72 4.16 -0.23 4.36 0.01 -1.26 -0.93 113.70 119.10 3kxp s SER 14 Ca 0.11 -0.60 -0.29 0.00 1.31 0.00 0.00 55.95 56.48 3kxp s SER 14 Cb -0.11 -0.67 0.15 0.00 0.21 0.00 0.00 66.02 65.60 3kxp s SER 14 CO 0.02 0.11 1.16 0.00 0.41 0.00 0.00 173.24 174.94 3kxp s ARG 15 N -2.77 0.36 -0.24 12.44 1.70 -0.70 -4.96 118.95 124.78 3kxp s ARG 15 Ca 0.24 0.13 -0.22 0.00 -0.47 0.00 0.00 55.73 55.41 3kxp s ARG 15 Cb -0.09 0.17 -0.02 0.00 -0.57 0.00 0.00 34.95 34.45 3kxp s ARG 15 CO 0.14 -0.10 0.70 1.03 -1.08 0.00 0.00 175.30 175.99 3kxp s ARG 16 N -0.87 4.16 -0.20 3.89 0.52 -1.26 -1.17 118.95 124.02 3kxp s ARG 16 Ca 0.03 0.70 -0.13 0.00 -0.52 0.00 0.00 55.73 55.82 3kxp s ARG 16 Cb -0.01 -3.63 -0.05 0.00 0.52 0.00 0.00 34.95 31.78 3kxp s ARG 16 CO -0.04 -0.41 0.25 0.08 0.02 0.00 0.00 175.30 175.21 3kxp s VAL 17 N 2.47 5.31 -0.34 3.52 1.01 0.22 -4.80 120.40 127.79 3kxp s VAL 17 Ca 0.30 0.41 -0.24 0.00 0.00 0.00 0.00 61.98 62.45 3kxp s VAL 17 Cb -0.16 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.64 3kxp s VAL 17 CO 0.09 0.35 0.82 -0.62 0.00 0.00 0.00 175.10 175.73 3kxp s ASP 18 N 0.77 6.63 -0.13 3.32 3.68 -1.26 -0.69 116.67 128.98 3kxp s ASP 18 Ca 0.13 0.53 0.15 0.00 2.13 0.00 0.00 52.55 55.50 3kxp s ASP 18 Cb -0.13 -2.42 0.57 0.00 -1.45 0.00 0.00 42.92 39.49 3kxp s ASP 18 CO 0.04 -0.71 1.48 2.30 0.13 0.00 0.00 175.17 178.41 3kxp n ILE 19 N 5.72 1.97 0.00 4.11 -5.35 -0.56 -4.99 119.36 120.26 3kxp n ILE 19 Ca 0.04 -1.47 0.00 0.00 -0.27 0.00 0.00 62.75 61.05 3kxp n ILE 19 Cb 0.48 -0.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.38 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 0.25 1.98 0.29 3.28 0.00 -1.26 -4.58 105.19 105.14 3kxp n GLY 20 Ca 0.21 -0.42 0.16 0.00 0.00 0.00 0.00 46.02 45.96 3kxp n GLY 20 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3kxp h ARG 21 N 0.00 0.00 -1.30 1.61 0.11 -1.98 -3.45 114.38 109.37 3kxp h ARG 21 Ca 0.00 0.00 0.32 0.00 0.10 0.00 0.00 59.98 60.40 3kxp h ARG 21 Cb 0.00 0.00 -0.16 0.00 1.11 0.00 0.00 29.97 30.92 3kxp h ARG 21 CO 0.00 0.06 0.88 -1.50 0.10 0.00 0.00 179.97 179.51 3kxp s ILE 22 N -4.22 0.00 -0.07 0.08 2.07 -1.26 -5.16 121.20 112.65 3kxp s ILE 22 Ca -0.03 -0.07 0.03 0.00 -1.41 0.00 0.00 60.65 59.16 3kxp s ILE 22 Cb 0.13 -1.49 -0.02 0.00 0.13 0.00 0.00 42.46 41.20 3kxp s ILE 22 CO 0.54 0.00 -0.13 0.42 -1.91 0.00 0.00 174.94 173.86 3kxp s THR 23 N -2.28 3.12 0.04 4.00 -4.23 -1.26 -1.50 115.64 113.53 3kxp s THR 23 Ca 0.12 -0.69 0.08 0.00 -1.18 0.00 0.00 61.69 60.02 3kxp s THR 23 Cb 0.02 -2.24 -0.03 0.00 1.34 0.00 0.00 72.50 71.60 3kxp s THR 23 CO -0.04 0.58 -0.23 -0.76 -0.54 0.00 0.00 174.62 173.63 3kxp s LEU 24 N -0.54 2.16 0.44 4.79 1.43 0.13 -2.61 118.68 124.48 3kxp s LEU 24 Ca 0.07 -0.54 -0.21 0.00 -1.03 0.00 0.00 54.13 52.42 3kxp s LEU 24 Cb -0.12 -1.11 -0.10 0.00 0.03 0.00 0.00 46.19 44.90 3kxp s LEU 24 CO 0.01 0.21 0.99 0.21 0.23 0.00 0.00 176.35 178.00 3kxp s ASN 25 N -1.14 6.75 -0.07 2.29 2.47 -1.26 0.71 114.94 124.68 3kxp s ASN 25 Ca 0.09 1.82 -0.15 0.00 0.42 0.00 0.00 52.86 55.04 3kxp s ASN 25 Cb -0.09 -2.55 0.03 0.00 -1.45 0.00 0.00 41.25 37.18 3kxp s ASN 25 CO 0.02 -0.49 0.35 -0.69 -3.72 0.00 0.00 177.10 172.56 3kxp s VAL 26 N -2.02 0.03 -0.22 -5.21 1.01 -0.31 -2.35 120.40 111.33 3kxp s VAL 26 Ca 0.62 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 62.31 3kxp s VAL 26 Cb -0.14 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 3kxp s VAL 26 CO 0.18 -0.14 -0.04 -0.13 0.00 0.00 0.00 175.10 174.97 3kxp s ARG 27 N -0.68 3.40 0.18 2.72 0.52 -0.42 -1.72 118.95 122.95 3kxp s ARG 27 Ca -0.08 -0.61 0.11 0.00 -0.52 0.00 0.00 55.73 54.63 3kxp s ARG 27 Cb -0.04 -3.02 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 3kxp s ARG 27 CO 0.03 -0.18 -0.22 -2.00 0.02 0.00 0.00 175.30 172.95 3kxp s GLU 28 N 1.43 1.60 -0.24 3.54 2.12 -0.10 -1.58 118.70 125.45 3kxp s GLU 28 Ca 0.05 -1.44 -0.30 0.00 0.36 0.00 0.00 54.97 53.64 3kxp s GLU 28 Cb -0.14 -1.92 0.17 0.00 0.26 0.00 0.00 34.13 32.50 3kxp s GLU 28 CO -0.03 0.42 1.25 0.21 -0.54 0.00 0.00 175.26 176.57 3kxp s LYS 29 N -2.57 0.22 0.00 4.30 2.20 -1.09 -2.30 119.74 120.50 3kxp s LYS 29 Ca 0.20 0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.85 3kxp s LYS 29 Cb -0.09 0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.34 3kxp s LYS 29 CO 0.10 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.43 3kxp n GLY 30 N 0.51 -0.20 3.07 5.54 0.00 -1.26 -1.92 105.19 110.94 3kxp n GLY 30 Ca -0.03 -1.85 -0.12 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.24 -0.12 0.00 1.61 1.04 -1.01 -4.69 113.70 109.29 3kxp s SER 31 Ca 0.00 0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.62 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 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.68 3kxp n GLY 32 N 2.53 0.63 3.58 7.32 0.00 -1.26 -3.12 105.19 114.87 3kxp n GLY 32 Ca -0.16 -2.13 -0.37 0.00 0.00 0.00 0.00 46.02 43.37 3kxp n GLY 32 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kxp n PRO 33 N 0.00 0.67 -1.70 1.61 -0.02 -1.26 -3.60 135.00 130.70 3kxp n PRO 33 Ca 0.00 0.27 -0.30 0.00 -2.02 0.00 0.00 63.50 61.45 3kxp n PRO 33 Cb 0.00 -2.08 0.21 0.00 -0.02 0.00 0.00 33.50 31.61 3kxp n PRO 33 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kxp s LEU 34 N -1.76 2.15 -0.29 2.45 2.96 -1.26 -0.36 118.68 122.57 3kxp s LEU 34 Ca 0.74 0.32 -0.17 0.00 -0.22 0.00 0.00 54.13 54.80 3kxp s LEU 34 Cb -0.39 -2.24 0.14 0.00 0.50 0.00 0.00 46.19 44.20 3kxp s LEU 34 CO 0.50 -3.19 0.99 -0.76 -1.32 0.00 0.00 176.35 172.56 3kxp s LEU 36 N -6.21 -0.49 -0.16 -0.68 1.43 0.42 -0.25 118.68 112.73 3kxp s LEU 36 Ca 0.74 0.81 -0.05 0.00 -1.03 0.00 0.00 54.13 54.60 3kxp s LEU 36 Cb -0.05 1.74 -0.03 0.00 0.03 0.00 0.00 46.19 47.89 3kxp s LEU 36 CO 0.54 -0.13 -0.01 -0.36 0.23 0.00 0.00 176.35 176.62 3kxp s PHE 37 N 1.22 3.09 -0.15 0.29 0.40 0.07 -1.02 117.98 121.88 3kxp s PHE 37 Ca -0.08 -0.18 0.01 0.00 -0.60 0.00 0.00 56.93 56.08 3kxp s PHE 37 Cb -0.04 -1.99 0.01 0.00 0.51 0.00 0.00 43.02 41.51 3kxp s PHE 37 CO -0.14 0.02 -0.19 -0.06 0.70 0.00 0.00 175.22 175.55 3kxp s PHE 38 N 0.36 2.73 0.90 0.36 0.40 -0.69 -1.57 117.98 120.47 3kxp s PHE 38 Ca -0.02 -1.30 -0.13 0.00 -0.60 0.00 0.00 56.93 54.88 3kxp s PHE 38 Cb -0.14 -1.86 0.14 0.00 0.51 0.00 0.00 43.02 41.67 3kxp s PHE 38 CO 0.02 -0.61 1.16 -3.38 0.70 0.00 0.00 175.22 173.11 3kxp s HIS 39 N 0.92 2.46 0.75 0.36 -3.43 -1.26 -0.11 115.29 114.99 3kxp s HIS 39 Ca -0.04 0.78 -0.08 0.00 -0.80 0.00 0.00 55.06 54.92 3kxp s HIS 39 Cb -0.15 -3.47 0.09 0.00 -1.43 0.00 0.00 32.58 27.62 3kxp s HIS 39 CO -0.03 -2.32 1.07 0.20 -2.00 0.00 0.00 174.74 171.66 3kxp s GLY 40 N -4.20 1.70 0.28 -1.38 0.00 -1.15 -2.46 107.32 100.10 3kxp s GLY 40 Ca 0.64 -1.00 -0.30 0.00 0.00 0.00 0.00 44.72 44.06 3kxp s GLY 40 CO 0.52 -0.52 1.64 4.51 0.00 0.00 0.00 173.10 179.25 3kxp n ILE 41 N -3.07 0.82 -0.92 0.90 3.06 -1.26 -1.70 119.36 117.19 3kxp n ILE 41 Ca 0.10 -0.20 0.00 0.00 -2.50 0.00 0.00 62.75 60.14 3kxp n ILE 41 Cb 0.60 -2.00 0.00 0.00 0.54 0.00 0.00 39.64 38.79 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 2.54 0.00 -2.78 9.51 -2.24 -1.26 -5.00 114.28 115.04 3kxp n THR 42 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 3kxp n THR 42 Cb 0.37 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 -0.05 0.00 -3.80 3.42 2.88 -0.69 -4.92 113.62 110.47 3kxp n SER 43 Ca 0.00 -0.80 -0.09 0.00 -1.33 0.00 0.00 58.87 56.65 3kxp n SER 43 Cb 0.03 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.45 3kxp n SER 43 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3kxp s ASN 44 N -1.00 -0.24 0.30 -3.46 2.20 -1.26 -4.43 114.94 107.05 3kxp s ASN 44 Ca 0.00 -0.57 0.06 0.00 -0.94 0.00 0.00 52.86 51.40 3kxp s ASN 44 Cb 0.00 0.61 0.79 0.00 -2.00 0.00 0.00 41.25 40.65 3kxp s ASN 44 CO 0.00 -1.13 1.70 0.77 -2.94 0.00 0.00 177.10 175.50 3kxp h SER 45 N 2.16 0.40 -0.52 3.54 4.64 -1.90 -2.38 113.55 119.50 3kxp h SER 45 Ca -0.26 0.16 0.15 0.00 -0.47 0.00 0.00 61.79 61.36 3kxp h SER 45 Cb 1.26 0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 63.45 3kxp h SER 45 CO 0.34 0.00 0.64 0.00 -0.87 0.00 0.00 176.83 176.94 3kxp h ALA 46 N 1.73 2.25 0.00 5.18 0.00 -1.95 0.21 119.26 126.68 3kxp h ALA 46 Ca 0.59 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.48 3kxp h ALA 46 Cb 1.15 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3kxp h ALA 46 CO -0.53 -0.90 -0.03 -0.24 0.00 0.00 0.00 179.25 177.55 3kxp h VAL 47 N 0.00 0.46 0.00 0.00 3.04 -1.77 -2.78 116.25 115.19 3kxp h VAL 47 Ca 0.24 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.78 3kxp h VAL 47 Cb 1.52 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 31.90 3kxp h VAL 47 CO -0.00 0.03 -1.14 0.49 -1.01 0.00 0.00 177.57 175.94 3kxp n PHE 48 N -3.67 0.72 -0.34 3.17 3.01 0.06 -4.50 117.46 115.91 3kxp n PHE 48 Ca -0.03 0.21 0.30 0.00 1.01 0.00 0.00 57.45 58.95 3kxp n PHE 48 Cb 0.13 -0.82 0.56 0.00 -0.01 0.00 0.00 39.48 39.34 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 0.10 -0.18 -1.08 5.08 -1.62 0.24 114.58 117.12 3kxp h GLU 49 Ca 0.00 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 3kxp h GLU 49 Cb 0.96 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 3kxp h GLU 49 CO 0.00 0.07 -0.16 -1.35 -1.00 0.00 0.00 179.01 176.57 3kxp h PRO 50 N 0.10 0.30 -1.02 2.33 0.11 -1.81 -2.69 132.00 129.33 3kxp h PRO 50 Ca 0.82 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.84 3kxp h PRO 50 Cb 2.12 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 33.20 3kxp h PRO 50 CO -0.69 0.47 0.00 -0.11 -0.21 0.00 0.00 178.00 177.46 3kxp n LEU 51 N -4.23 2.28 0.00 2.35 7.94 0.85 -4.19 117.00 122.01 3kxp n LEU 51 Ca -0.00 -1.14 0.00 0.00 -1.11 0.00 0.00 56.01 53.76 3kxp n LEU 51 Cb 0.31 -0.48 0.00 0.00 0.53 0.00 0.00 43.42 43.78 3kxp n LEU 51 CO 0.39 0.40 0.00 -0.38 -1.11 0.00 0.00 177.39 176.69 3kxp n ILE 53 N 0.37 0.00 0.58 1.96 5.41 -1.02 -3.53 119.36 123.14 3kxp n ILE 53 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.87 3kxp n ILE 53 Cb 0.40 0.00 0.11 0.00 -0.71 0.00 0.00 39.64 39.44 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 0.28 0.00 0.38 5.12 -1.26 -4.24 116.66 116.94 3kxp n ARG 54 Ca 0.00 0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 3kxp n ARG 54 Cb 0.00 -1.64 0.00 0.00 -1.16 0.00 0.00 32.46 29.66 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 -2.02 0.92 0.07 0.55 4.77 -1.23 -4.74 117.00 115.32 3kxp n LEU 55 Ca 0.03 -0.92 0.11 0.00 -0.03 0.00 0.00 56.01 55.20 3kxp n LEU 55 Cb 0.43 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 41.97 3kxp n LEU 55 CO 0.38 0.23 0.84 -1.54 -1.33 0.00 0.00 177.39 175.97 3kxp n SER 56 N -0.01 0.42 0.19 -1.43 3.41 -1.26 -0.87 113.62 114.07 3kxp n SER 56 Ca 0.00 0.58 0.11 0.00 -0.26 0.00 0.00 58.87 59.30 3kxp n SER 56 Cb 0.03 -0.68 0.12 0.00 -0.26 0.00 0.00 64.21 63.42 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 -0.00 -1.85 -3.09 116.42 115.52 3kxp h ASP 57 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.03 57.00 3kxp h ASP 57 Cb 0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.75 3kxp h ASP 57 CO 0.00 0.03 -1.20 0.54 -0.00 0.00 0.00 179.24 178.61 3kxp n ARG 58 N -3.00 1.86 -4.50 4.15 1.74 -1.15 -4.79 116.66 110.96 3kxp n ARG 58 Ca 0.03 -0.02 -0.24 0.00 -0.77 0.00 0.00 57.85 56.85 3kxp n ARG 58 Cb 0.55 -1.08 -0.11 0.00 -1.02 0.00 0.00 32.46 30.80 3kxp n ARG 58 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3kxp s PHE 59 N -2.16 2.18 -0.69 -1.55 0.40 -0.05 -4.18 117.98 111.93 3kxp s PHE 59 Ca -0.01 -0.67 -0.13 0.00 -0.60 0.00 0.00 56.93 55.51 3kxp s PHE 59 Cb 0.02 -1.32 0.18 0.00 0.51 0.00 0.00 43.02 42.40 3kxp s PHE 59 CO 0.14 0.36 0.63 0.99 0.70 0.00 0.00 175.22 178.04 3kxp s THR 60 N -2.88 5.24 -0.09 0.64 2.01 0.51 -2.41 115.64 118.67 3kxp s THR 60 Ca 0.32 -2.15 -0.25 0.00 0.31 0.00 0.00 61.69 59.93 3kxp s THR 60 Cb 0.05 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.23 3kxp s THR 60 CO 0.15 -0.95 0.77 0.42 -0.69 0.00 0.00 174.62 174.31 3kxp s THR 61 N 0.70 4.98 -0.09 -0.82 -4.23 -0.81 -4.41 115.64 110.97 3kxp s THR 61 Ca 0.12 1.56 -0.02 0.00 -1.18 0.00 0.00 61.69 62.17 3kxp s THR 61 Cb -0.18 -4.10 0.03 0.00 1.34 0.00 0.00 72.50 69.59 3kxp s THR 61 CO -0.04 0.18 0.01 -0.63 -0.54 0.00 0.00 174.62 173.60 3kxp s ILE 62 N 1.20 0.35 -0.12 2.99 1.01 -1.26 -2.68 121.20 122.69 3kxp s ILE 62 Ca 0.39 0.05 -0.15 0.00 0.00 0.00 0.00 60.65 60.95 3kxp s ILE 62 Cb -0.18 -0.57 -0.05 0.00 0.01 0.00 0.00 42.46 41.68 3kxp s ILE 62 CO 0.18 0.18 0.36 0.00 0.00 0.00 0.00 174.94 175.66 3kxp s ALA 63 N 1.98 3.59 -0.19 9.38 0.00 -0.62 -0.75 121.76 135.15 3kxp s ALA 63 Ca 0.04 -0.35 -0.03 0.00 0.00 0.00 0.00 51.96 51.63 3kxp s ALA 63 Cb -0.13 -2.45 -0.01 0.00 0.00 0.00 0.00 23.12 20.53 3kxp s ALA 63 CO -0.06 0.15 -0.07 0.08 0.00 0.00 0.00 175.76 175.86 3kxp s VAL 64 N 0.21 3.26 -0.27 0.00 1.01 -0.61 -1.30 120.40 122.70 3kxp s VAL 64 Ca 0.20 -0.55 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 3kxp s VAL 64 Cb -0.14 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.80 3kxp s VAL 64 CO 0.07 0.46 1.17 -1.81 0.00 0.00 0.00 175.10 174.99 3kxp s ASP 65 N 1.08 6.89 0.61 3.32 -0.00 -0.99 -4.34 116.67 123.24 3kxp s ASP 65 Ca 0.01 1.28 -0.09 0.00 -0.00 0.00 0.00 52.55 53.74 3kxp s ASP 65 Cb -0.15 -2.54 -0.02 0.00 -0.00 0.00 0.00 42.92 40.21 3kxp s ASP 65 CO -0.01 -0.88 0.99 -1.10 -0.00 0.00 0.00 175.17 174.17 3kxp s GLN 66 N 3.69 3.33 0.13 8.23 -0.21 -1.26 -4.25 119.66 129.33 3kxp s GLN 66 Ca 0.50 0.50 -0.33 0.00 0.02 0.00 0.00 55.36 56.04 3kxp s GLN 66 Cb -0.16 -2.14 -0.17 0.00 1.00 0.00 0.00 33.01 31.54 3kxp s GLN 66 CO 0.16 -0.63 0.95 2.89 -2.12 0.00 0.00 175.29 176.54 3kxp n ARG 67 N -2.71 0.51 0.00 2.91 1.85 -1.26 -0.82 116.66 117.15 3kxp n ARG 67 Ca 0.05 0.18 0.00 0.00 -1.00 0.00 0.00 57.85 57.08 3kxp n ARG 67 Cb 0.55 -1.54 0.00 0.00 -1.05 0.00 0.00 32.46 30.42 3kxp n ARG 67 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kxp n GLY 68 N 1.84 2.32 3.67 2.89 0.00 -0.48 -5.01 105.19 110.41 3kxp n GLY 68 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.50 2.61 0.00 1.61 3.76 0.00 -1.74 115.29 119.04 3kxp s HIS 69 Ca 0.00 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 3kxp s HIS 69 Cb 0.00 -1.52 0.00 0.00 1.11 0.00 0.00 32.58 32.17 3kxp s HIS 69 CO 0.00 0.44 0.00 0.41 -0.85 0.00 0.00 174.74 174.74 3kxp n GLY 70 N -1.02 2.56 1.94 -2.22 0.00 -1.26 -1.95 105.19 103.24 3kxp n GLY 70 Ca -0.04 0.10 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 3kxp n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kxp n LEU 71 N 0.00 5.97 -4.98 0.99 4.77 -1.26 -4.65 117.00 117.84 3kxp n LEU 71 Ca 0.00 -3.21 -0.21 0.00 -0.03 0.00 0.00 56.01 52.56 3kxp n LEU 71 Cb 0.00 -0.73 0.05 0.00 -2.33 0.00 0.00 43.42 40.41 3kxp n LEU 71 CO 0.00 0.80 0.39 -0.44 -1.33 0.00 0.00 177.39 176.81 3kxp s SER 72 N -1.08 5.10 0.66 -1.43 0.01 -0.82 -4.27 113.70 111.86 3kxp s SER 72 Ca 0.55 -0.13 -0.16 0.00 1.31 0.00 0.00 55.95 57.51 3kxp s SER 72 Cb 0.44 -0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.02 3kxp s SER 72 CO 0.13 -1.28 1.17 -1.81 0.41 0.00 0.00 173.24 171.87 3kxp s ASP 73 N -4.49 4.83 -0.48 2.44 1.01 -1.07 -4.67 116.67 114.23 3kxp s ASP 73 Ca 0.59 2.25 0.07 0.00 0.71 0.00 0.00 52.55 56.18 3kxp s ASP 73 Cb -0.09 -2.58 0.25 0.00 1.01 0.00 0.00 42.92 41.50 3kxp s ASP 73 CO 0.39 -1.83 0.59 0.29 0.21 0.00 0.00 175.17 174.82 3kxp n LYS 74 N -2.22 1.31 -0.78 8.23 5.02 -1.26 -1.39 118.16 127.06 3kxp n LYS 74 Ca 0.12 -3.72 -0.33 0.00 -2.02 0.00 0.00 58.31 52.36 3kxp n LYS 74 Cb 0.51 -1.59 0.13 0.00 -0.02 0.00 0.00 35.03 34.05 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 1.29 -0.65 0.21 1.97 -0.04 -1.26 -4.90 135.00 131.63 3kxp n PRO 75 Ca 0.24 -0.16 0.09 0.00 -0.04 0.00 0.00 63.50 63.63 3kxp n PRO 75 Cb 0.49 -1.71 0.42 0.00 -0.04 0.00 0.00 33.50 32.66 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 -1.65 0.00 -3.19 0.54 4.81 -2.02 -3.47 114.58 109.60 3kxp h GLU 76 Ca -0.46 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3kxp h GLU 76 Cb 1.31 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.65 3kxp h GLU 76 CO 0.34 0.26 0.15 -0.08 -0.73 0.00 0.00 179.01 178.96 3kxp s THR 77 N -3.64 0.00 0.00 0.32 -1.32 -1.26 -4.90 115.64 104.84 3kxp s THR 77 Ca 0.00 -1.11 0.00 0.00 -1.21 0.00 0.00 61.69 59.37 3kxp s THR 77 Cb 0.10 -2.35 0.00 0.00 -1.51 0.00 0.00 72.50 68.74 3kxp s THR 77 CO 0.65 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.67 3kxp n GLY 78 N -0.48 0.52 2.30 6.08 0.00 -1.26 -5.05 105.19 107.30 3kxp n GLY 78 Ca -0.05 -0.59 -0.08 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.22 1.64 -2.42 1.61 4.02 -1.26 -4.80 117.16 115.74 3kxp n TYR 79 Ca 0.00 -2.01 -0.24 0.00 -0.01 0.00 0.00 57.90 55.65 3kxp n TYR 79 Cb 0.10 -0.27 0.05 0.00 -0.02 0.00 0.00 39.34 39.20 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 -3.41 2.38 0.18 -0.72 0.41 -1.26 -4.28 118.70 111.99 3kxp s GLU 80 Ca 0.37 -0.50 -0.16 0.00 -0.41 0.00 0.00 54.97 54.27 3kxp s GLU 80 Cb 0.36 -2.32 0.13 0.00 -1.78 0.00 0.00 34.13 30.52 3kxp s GLU 80 CO -0.02 -0.98 1.66 0.00 -0.49 0.00 0.00 175.26 175.44 3kxp h ALA 81 N -0.27 0.31 -0.73 5.21 0.00 -1.97 -1.55 119.26 120.27 3kxp h ALA 81 Ca -0.43 0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.68 3kxp h ALA 81 Cb 1.31 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 19.38 3kxp h ALA 81 CO 0.56 -0.44 0.48 -0.91 0.00 0.00 0.00 179.25 178.95 3kxp h ASN 82 N 0.01 0.77 -0.30 0.00 -0.26 -1.98 0.04 115.58 113.87 3kxp h ASN 82 Ca 0.22 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.93 3kxp h ASN 82 Cb 0.33 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.40 3kxp h ASN 82 CO -0.45 0.53 0.13 0.44 -1.06 0.00 0.00 177.43 177.03 3kxp h ASP 83 N 0.90 0.41 -0.11 5.81 3.32 -1.63 0.11 116.42 125.23 3kxp h ASP 83 Ca 0.29 -0.14 -0.11 0.00 0.02 0.00 0.00 57.03 57.09 3kxp h ASP 83 Cb 0.05 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3kxp h ASP 83 CO -0.08 0.44 -0.28 1.88 -1.72 0.00 0.00 179.24 179.48 3kxp h TYR 84 N 0.35 0.65 -0.17 4.55 -1.99 -1.04 -2.95 116.97 116.37 3kxp h TYR 84 Ca 0.10 -0.15 -0.05 0.00 2.00 0.00 0.00 58.73 60.63 3kxp h TYR 84 Cb 0.15 -0.15 -0.00 0.00 2.00 0.00 0.00 36.73 38.72 3kxp h TYR 84 CO -0.01 0.79 -0.07 0.00 -0.00 0.00 0.00 178.16 178.87 3kxp h ALA 85 N 1.20 0.23 0.00 3.88 0.00 -0.63 -2.65 119.26 121.30 3kxp h ALA 85 Ca 0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3kxp h ALA 85 Cb 0.74 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3kxp h ALA 85 CO 0.06 0.04 -0.14 -0.44 0.00 0.00 0.00 179.25 178.77 3kxp h ASP 86 N 0.03 0.00 -0.68 0.00 3.32 -0.81 -0.92 116.42 117.36 3kxp h ASP 86 Ca 0.04 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 3kxp h ASP 86 Cb 0.54 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 3kxp h ASP 86 CO 0.02 0.14 0.13 0.44 -1.72 0.00 0.00 179.24 178.25 3kxp h ASP 87 N 0.00 1.06 -0.25 6.45 3.45 -1.33 0.20 116.42 126.00 3kxp h ASP 87 Ca -0.00 -0.24 -0.01 0.00 0.43 0.00 0.00 57.03 57.21 3kxp h ASP 87 Cb 0.25 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.73 3kxp h ASP 87 CO 0.02 1.04 0.13 0.40 -1.57 0.00 0.00 179.24 179.26 3kxp h ILE 88 N 1.05 1.12 0.81 0.35 2.04 -0.83 -0.44 117.51 121.60 3kxp h ILE 88 Ca 0.21 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 3kxp h ILE 88 Cb 0.42 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 3kxp h ILE 88 CO 0.01 0.12 -0.49 0.00 0.00 0.00 0.00 178.15 177.79 3kxp h ALA 89 N 1.01 -1.29 -0.54 1.87 0.00 -1.14 -0.88 119.26 118.30 3kxp h ALA 89 Ca 0.09 -0.25 0.16 0.00 0.00 0.00 0.00 54.91 54.90 3kxp h ALA 89 Cb 0.07 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3kxp h ALA 89 CO -0.01 -1.23 0.51 0.78 0.00 0.00 0.00 179.25 179.29 3kxp h GLY 90 N -1.21 0.00 1.40 0.00 0.00 -0.90 0.68 103.07 103.04 3kxp h GLY 90 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.91 3kxp h GLY 90 CO 0.12 0.00 -1.40 -2.00 0.00 0.00 0.00 176.54 173.26 3kxp h LEU 91 N 0.00 0.59 -0.42 3.11 7.12 -0.56 -2.38 115.31 122.77 3kxp h LEU 91 Ca 0.25 -0.66 -0.06 0.00 0.13 0.00 0.00 57.88 57.54 3kxp h LEU 91 Cb 1.27 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 41.20 3kxp h LEU 91 CO -0.00 1.53 0.02 0.40 -0.13 0.00 0.00 178.44 180.25 3kxp h ILE 92 N 0.10 1.26 0.61 4.05 2.04 0.50 -1.16 117.51 124.90 3kxp h ILE 92 Ca -0.21 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 64.63 3kxp h ILE 92 Cb 2.06 1.06 0.01 0.00 -0.74 0.00 0.00 36.82 39.21 3kxp h ILE 92 CO 0.22 0.34 -0.29 0.03 0.00 0.00 0.00 178.15 178.45 3kxp h ARG 93 N 0.58 -0.79 -0.66 2.37 3.08 -1.31 -2.53 114.38 115.12 3kxp h ARG 93 Ca 0.12 0.05 0.14 0.00 0.07 0.00 0.00 59.98 60.36 3kxp h ARG 93 Cb 0.46 0.18 -0.10 0.00 0.08 0.00 0.00 29.97 30.58 3kxp h ARG 93 CO 0.02 -0.48 0.11 1.15 -1.07 0.00 0.00 179.97 179.70 3kxp h THR 94 N -0.97 0.54 0.00 2.04 2.02 -1.41 0.45 112.91 115.58 3kxp h THR 94 Ca -0.08 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 3kxp h THR 94 Cb 0.67 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 3kxp h THR 94 CO 0.14 0.04 -0.13 -0.07 0.37 0.00 0.00 175.52 175.87 3kxp h LEU 95 N 0.22 0.00 -2.90 2.58 3.38 -1.17 -3.47 115.31 113.95 3kxp h LEU 95 Ca 0.36 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.82 3kxp h LEU 95 Cb 0.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3kxp h LEU 95 CO -0.49 0.13 -0.95 0.00 0.09 0.00 0.00 178.44 177.22 3kxp n ALA 96 N -2.49 -2.36 -0.00 1.53 0.00 0.15 -4.88 120.51 112.45 3kxp n ALA 96 Ca -0.03 -0.35 0.01 0.00 0.00 0.00 0.00 53.44 53.07 3kxp n ALA 96 Cb 0.20 -2.66 0.01 0.00 0.00 0.00 0.00 19.45 17.00 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 -4.50 2.22 0.00 0.00 5.12 -1.26 -5.11 116.66 113.12 3kxp n ARG 97 Ca -0.18 -1.36 0.00 0.00 -1.93 0.00 0.00 57.85 54.38 3kxp n ARG 97 Cb 0.62 -1.02 0.00 0.00 -1.16 0.00 0.00 32.46 30.90 3kxp n ARG 97 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kxp n GLY 98 N -0.31 0.24 3.61 -0.13 0.00 -1.26 -4.55 105.19 102.79 3kxp n GLY 98 Ca 0.01 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 43.73 3kxp n GLY 98 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3kxp n HIS 99 N 0.23 0.59 -4.31 1.61 1.44 -1.26 -4.84 115.22 108.69 3kxp n HIS 99 Ca 0.00 0.39 -0.22 0.00 -2.01 0.00 0.00 57.72 55.88 3kxp n HIS 99 Cb 0.00 -2.06 -0.12 0.00 0.12 0.00 0.00 29.99 27.93 3kxp n HIS 99 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3kxp s ALA 100 N -1.89 1.87 0.00 1.59 0.00 -0.15 -4.29 121.76 118.90 3kxp s ALA 100 Ca 0.72 -1.39 -0.26 0.00 0.00 0.00 0.00 51.96 51.03 3kxp s ALA 100 Cb -0.33 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 3kxp s ALA 100 CO 0.51 0.25 0.83 0.42 0.00 0.00 0.00 175.76 177.78 3kxp s ILE 101 N -1.79 4.84 -0.32 0.00 1.01 0.66 -1.51 121.20 124.09 3kxp s ILE 101 Ca 0.12 1.74 -0.08 0.00 0.00 0.00 0.00 60.65 62.43 3kxp s ILE 101 Cb -0.07 -4.17 0.01 0.00 0.01 0.00 0.00 42.46 38.24 3kxp s ILE 101 CO 0.05 0.27 0.13 -0.76 0.00 0.00 0.00 174.94 174.63 3kxp s LEU 102 N 0.52 4.13 -0.31 2.97 1.02 0.08 -0.43 118.68 126.65 3kxp s LEU 102 Ca 0.43 -0.76 0.03 0.00 0.02 0.00 0.00 54.13 53.86 3kxp s LEU 102 Cb -0.20 -1.94 0.08 0.00 0.02 0.00 0.00 46.19 44.15 3kxp s LEU 102 CO 0.24 -0.24 -0.02 0.54 0.02 0.00 0.00 176.35 176.89 3kxp s VAL 103 N 1.53 2.30 0.17 -1.59 0.11 -0.19 0.06 120.40 122.79 3kxp s VAL 103 Ca 0.03 -2.00 0.08 0.00 -2.93 0.00 0.00 61.98 57.16 3kxp s VAL 103 Cb -0.18 -2.53 -0.04 0.00 -1.53 0.00 0.00 36.38 32.10 3kxp s VAL 103 CO 0.04 -0.34 -0.17 -0.83 -3.33 0.00 0.00 175.10 170.47 3kxp s GLY 104 N 1.03 1.37 -0.18 6.54 0.00 -0.91 -1.71 107.32 113.46 3kxp s GLY 104 Ca 0.02 -1.51 -0.01 0.00 0.00 0.00 0.00 44.72 43.22 3kxp s GLY 104 CO -0.06 -1.57 -0.14 -1.58 0.00 0.00 0.00 173.10 169.75 3kxp s HIS 105 N -2.26 2.82 0.00 1.90 2.46 0.85 -1.08 115.29 119.99 3kxp s HIS 105 Ca 0.16 -1.19 0.00 0.00 0.47 0.00 0.00 55.06 54.50 3kxp s HIS 105 Cb -0.05 -1.95 0.00 0.00 -0.13 0.00 0.00 32.58 30.45 3kxp s HIS 105 CO 0.06 -0.59 0.00 0.45 -2.47 0.00 0.00 174.74 172.19 3kxp n SER 106 N 4.41 0.00 -0.28 9.88 2.88 0.45 -1.69 113.62 129.26 3kxp n SER 106 Ca -0.19 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.43 3kxp n SER 106 Cb 0.51 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 64.20 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 0.33 -0.48 2.46 5.85 -1.89 -0.14 115.31 121.44 3kxp h LEU 107 Ca 0.00 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 3kxp h LEU 107 Cb 0.00 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3kxp h LEU 107 CO 0.00 0.09 0.19 1.23 -0.34 0.00 0.00 178.44 179.60 3kxp h GLY 108 N 0.46 0.77 0.88 3.75 0.00 -0.99 -0.56 103.07 107.38 3kxp h GLY 108 Ca 0.47 -0.42 0.03 0.00 0.00 0.00 0.00 47.33 47.41 3kxp h GLY 108 CO -0.44 0.40 0.50 0.00 0.00 0.00 0.00 176.54 177.00 3kxp h ALA 109 N 1.03 1.03 -0.66 3.60 0.00 -1.23 0.20 119.26 123.24 3kxp h ALA 109 Ca 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3kxp h ALA 109 Cb 0.20 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3kxp h ALA 109 CO -0.01 0.32 0.37 -0.09 0.00 0.00 0.00 179.25 179.84 3kxp h ARG 110 N 0.98 0.91 -0.33 0.00 1.12 -0.66 -1.69 114.38 114.71 3kxp h ARG 110 Ca 0.31 -0.10 -0.09 0.00 -1.11 0.00 0.00 59.98 58.99 3kxp h ARG 110 Cb 0.00 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 29.77 3kxp h ARG 110 CO -0.11 0.68 -0.14 -0.91 -3.11 0.00 0.00 179.97 176.38 3kxp h ASN 111 N 0.90 0.70 0.88 -3.80 2.35 -0.30 -2.74 115.58 113.56 3kxp h ASN 111 Ca 0.23 -0.39 -0.04 0.00 -0.55 0.00 0.00 56.30 55.55 3kxp h ASN 111 Cb 0.02 -0.19 0.01 0.00 0.05 0.00 0.00 38.32 38.21 3kxp h ASN 111 CO -0.04 0.94 -0.45 0.28 -1.65 0.00 0.00 177.43 176.51 3kxp h SER 112 N 0.46 -1.07 -0.98 5.81 0.02 -0.36 0.63 113.55 118.06 3kxp h SER 112 Ca 0.08 0.04 0.12 0.00 -0.84 0.00 0.00 61.79 61.19 3kxp h SER 112 Cb 0.66 0.29 -0.08 0.00 0.14 0.00 0.00 62.40 63.40 3kxp h SER 112 CO 0.04 -0.74 0.61 0.58 -1.14 0.00 0.00 176.83 176.18 3kxp h VAL 113 N -1.21 0.90 -0.53 2.27 2.07 -1.41 0.14 116.25 118.48 3kxp h VAL 113 Ca -0.12 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 3kxp h VAL 113 Cb 0.94 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3kxp h VAL 113 CO 0.18 0.17 0.15 0.74 0.02 0.00 0.00 177.57 178.84 3kxp h THR 114 N 0.95 1.21 -0.12 2.57 2.02 -1.25 -1.80 112.91 116.50 3kxp h THR 114 Ca 0.49 -0.74 -0.14 0.00 0.77 0.00 0.00 66.41 66.78 3kxp h THR 114 Cb 0.49 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 3kxp h THR 114 CO -0.27 0.28 -0.55 0.00 0.37 0.00 0.00 175.52 175.35 3kxp h ALA 115 N 1.40 0.84 -0.00 6.16 0.00 0.16 -3.08 119.26 124.73 3kxp h ALA 115 Ca 0.17 -0.51 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 3kxp h ALA 115 Cb 0.25 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3kxp h ALA 115 CO -0.01 0.69 -0.64 0.00 0.00 0.00 0.00 179.25 179.30 3kxp h ALA 116 N 1.15 0.94 0.00 0.00 0.00 -0.33 0.43 119.26 121.44 3kxp h ALA 116 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3kxp h ALA 116 Cb 1.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3kxp h ALA 116 CO 0.09 0.80 -0.04 0.00 0.00 0.00 0.00 179.25 180.10 3kxp n ALA 117 N -2.42 2.39 -0.04 0.00 0.00 -0.73 -3.21 120.51 116.51 3kxp n ALA 117 Ca -0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 53.44 53.30 3kxp n ALA 117 Cb 0.63 -1.45 -0.07 0.00 0.00 0.00 0.00 19.45 18.57 3kxp n ALA 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3kxp n LYS 118 N -1.67 2.34 -3.09 0.00 4.81 -1.06 -4.79 118.16 114.70 3kxp n LYS 118 Ca 0.07 -0.01 -0.23 0.00 -0.87 0.00 0.00 58.31 57.27 3kxp n LYS 118 Cb 0.36 -1.22 -0.04 0.00 0.02 0.00 0.00 35.03 34.16 3kxp n LYS 118 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3kxp n TYR 119 N -2.25 1.98 0.15 5.64 4.02 0.15 -4.93 117.16 121.91 3kxp n TYR 119 Ca -0.12 -3.90 0.19 0.00 -0.01 0.00 0.00 57.90 54.06 3kxp n TYR 119 Cb 0.71 -0.45 0.77 0.00 -0.02 0.00 0.00 39.34 40.35 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 3.08 0.00 0.00 -0.72 0.13 -1.75 0.78 132.00 133.51 3kxp h PRO 120 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3kxp h PRO 120 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3kxp h PRO 120 CO 0.65 0.00 -0.14 -0.25 -0.23 0.00 0.00 178.00 178.03 3kxp n ASP 121 N -3.59 0.71 -0.06 1.44 10.43 -1.26 -3.79 116.55 120.43 3kxp n ASP 121 Ca 0.05 0.45 -0.09 0.00 2.57 0.00 0.00 54.79 57.77 3kxp n ASP 121 Cb 0.53 -0.54 -0.15 0.00 1.84 0.00 0.00 41.12 42.80 3kxp n ASP 121 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3kxp n LEU 122 N -2.14 0.41 -4.34 0.64 4.77 0.25 -4.66 117.00 111.93 3kxp n LEU 122 Ca 0.05 0.20 -0.35 0.00 -0.03 0.00 0.00 56.01 55.88 3kxp n LEU 122 Cb 0.42 0.33 -0.14 0.00 -2.33 0.00 0.00 43.42 41.71 3kxp n LEU 122 CO 0.31 0.43 -0.39 0.54 -1.33 0.00 0.00 177.39 176.96 3kxp s VAL 123 N -2.57 3.40 0.07 4.08 0.11 -1.09 -0.98 120.40 123.43 3kxp s VAL 123 Ca -0.07 -0.49 -0.18 0.00 -2.93 0.00 0.00 61.98 58.30 3kxp s VAL 123 Cb 0.07 -2.53 -0.11 0.00 -1.53 0.00 0.00 36.38 32.29 3kxp s VAL 123 CO 0.83 0.44 1.42 -0.09 -3.33 0.00 0.00 175.10 174.37 3kxp h ARG 124 N 7.77 0.49 -2.44 1.54 2.43 -1.55 -3.46 114.38 119.16 3kxp h ARG 124 Ca -0.38 -0.23 0.14 0.00 -0.81 0.00 0.00 59.98 58.70 3kxp h ARG 124 Cb 1.17 -0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 30.62 3kxp h ARG 124 CO 0.60 0.78 0.44 -1.54 -1.51 0.00 0.00 179.97 178.74 3kxp s SER 125 N -6.20 -0.25 -0.01 -3.80 1.04 -1.26 -4.28 113.70 98.94 3kxp s SER 125 Ca -0.13 -0.31 0.01 0.00 0.48 0.00 0.00 55.95 56.00 3kxp s SER 125 Cb 0.07 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.69 3kxp s SER 125 CO 0.77 -0.89 -0.04 -0.69 0.98 0.00 0.00 173.24 173.37 3kxp s VAL 126 N -3.34 0.35 -0.41 5.02 1.01 0.34 -0.75 120.40 122.62 3kxp s VAL 126 Ca 0.10 -0.15 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 3kxp s VAL 126 Cb -0.02 -0.33 0.10 0.00 0.00 0.00 0.00 36.38 36.13 3kxp s VAL 126 CO -0.01 0.12 0.22 -0.69 0.00 0.00 0.00 175.10 174.74 3kxp s VAL 127 N 0.15 3.60 -0.61 2.92 1.01 0.11 -0.02 120.40 127.56 3kxp s VAL 127 Ca -0.01 -1.82 -0.21 0.00 0.00 0.00 0.00 61.98 59.94 3kxp s VAL 127 Cb -0.05 -3.36 0.08 0.00 0.00 0.00 0.00 36.38 33.05 3kxp s VAL 127 CO -0.00 -0.62 0.81 0.00 0.00 0.00 0.00 175.10 175.29 3kxp s ALA 128 N 1.25 3.28 -0.42 5.51 0.00 0.24 -2.14 121.76 129.48 3kxp s ALA 128 Ca 0.05 -1.99 -0.21 0.00 0.00 0.00 0.00 51.96 49.82 3kxp s ALA 128 Cb -0.23 -3.65 0.02 0.00 0.00 0.00 0.00 23.12 19.26 3kxp s ALA 128 CO -0.02 -2.48 0.64 0.42 0.00 0.00 0.00 175.76 174.32 3kxp s ILE 129 N 3.26 4.84 -1.06 0.00 1.01 -0.24 -1.81 121.20 127.20 3kxp s ILE 129 Ca 0.17 0.20 -0.14 0.00 0.00 0.00 0.00 60.65 60.87 3kxp s ILE 129 Cb -0.20 -4.18 -0.02 0.00 0.01 0.00 0.00 42.46 38.07 3kxp s ILE 129 CO 0.09 -0.54 0.80 -0.67 0.00 0.00 0.00 174.94 174.62 3kxp n ASP 130 N 6.21 -5.86 -3.15 3.58 2.03 0.11 -0.41 116.55 119.07 3kxp n ASP 130 Ca -0.02 -0.85 0.05 0.00 0.52 0.00 0.00 54.79 54.49 3kxp n ASP 130 Cb 0.48 -3.87 -0.01 0.00 -0.72 0.00 0.00 41.12 36.99 3kxp n ASP 130 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3kxp s PHE 131 N -3.37 -0.61 0.40 -0.67 2.19 -1.26 -3.99 117.98 110.67 3kxp s PHE 131 Ca 0.40 0.61 0.04 0.00 0.33 0.00 0.00 56.93 58.32 3kxp s PHE 131 Cb -0.12 0.20 -0.02 0.00 -1.31 0.00 0.00 43.02 41.77 3kxp s PHE 131 CO 0.83 -0.34 0.16 0.95 1.83 0.00 0.00 175.22 178.65 3kxp s THR 132 N 2.95 0.46 0.89 0.12 -4.23 -1.26 -4.68 115.64 109.89 3kxp s THR 132 Ca 0.03 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.41 3kxp s THR 132 Cb -0.10 -2.34 0.15 0.00 1.34 0.00 0.00 72.50 71.56 3kxp s THR 132 CO -0.13 0.00 1.25 -2.84 -0.54 0.00 0.00 174.62 172.36 3kxp s PRO 133 N -3.65 1.18 -0.47 3.99 0.02 -1.26 -4.23 135.00 130.59 3kxp s PRO 133 Ca 0.25 -0.28 0.00 0.00 0.02 0.00 0.00 61.00 61.00 3kxp s PRO 133 Cb 0.02 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.62 3kxp s PRO 133 CO 0.17 -2.05 0.00 0.66 -0.33 0.00 0.00 177.00 175.44 3kxp n TYR 134 N -3.54 0.00 -2.00 6.54 4.02 -1.26 -4.80 117.16 116.12 3kxp n TYR 134 Ca 0.13 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.59 3kxp n TYR 134 Cb 0.60 -1.32 -0.03 0.00 -0.02 0.00 0.00 39.34 38.58 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 -1.94 3.19 0.66 -0.72 1.01 -1.26 -4.65 121.20 117.49 3kxp s ILE 135 Ca 0.00 0.64 -0.17 0.00 0.00 0.00 0.00 60.65 61.12 3kxp s ILE 135 Cb 0.00 -3.41 -0.00 0.00 0.01 0.00 0.00 42.46 39.06 3kxp s ILE 135 CO 0.00 -0.00 1.19 -1.83 0.00 0.00 0.00 174.94 174.30 3kxp s GLU 136 N 2.55 2.60 0.36 2.79 1.03 -1.26 -4.88 118.70 121.89 3kxp s GLU 136 Ca 0.71 1.74 0.07 0.00 0.03 0.00 0.00 54.97 57.52 3kxp s GLU 136 Cb -0.38 -1.89 0.76 0.00 -0.80 0.00 0.00 34.13 31.83 3kxp s GLU 136 CO 0.31 -1.47 1.94 1.15 -1.33 0.00 0.00 175.26 175.86 3kxp h THR 137 N 0.28 0.99 -0.78 1.83 2.02 -1.99 -2.18 112.91 113.08 3kxp h THR 137 Ca -0.49 -0.25 0.04 0.00 0.77 0.00 0.00 66.41 66.48 3kxp h THR 137 Cb 1.29 0.19 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 3kxp h THR 137 CO 0.53 0.13 0.48 -0.33 0.37 0.00 0.00 175.52 176.71 3kxp h GLU 138 N 0.73 0.90 -0.24 6.66 3.07 -1.99 0.19 114.58 123.90 3kxp h GLU 138 Ca 0.33 -0.05 -0.11 0.00 -0.50 0.00 0.00 59.36 59.03 3kxp h GLU 138 Cb 0.35 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 3kxp h GLU 138 CO -0.12 0.59 -0.31 0.00 -1.40 0.00 0.00 179.01 177.78 3kxp h ALA 139 N 1.35 1.03 -0.08 3.43 0.00 -1.72 -1.85 119.26 121.42 3kxp h ALA 139 Ca 0.32 -0.38 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 3kxp h ALA 139 Cb 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3kxp h ALA 139 CO -0.14 0.59 -0.72 -0.07 0.00 0.00 0.00 179.25 178.92 3kxp h LEU 140 N 0.42 0.46 -0.66 0.00 3.38 -1.09 -1.89 115.31 115.93 3kxp h LEU 140 Ca 0.05 -0.30 -0.11 0.00 0.09 0.00 0.00 57.88 57.61 3kxp h LEU 140 Cb 0.75 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3kxp h LEU 140 CO 0.06 1.03 -0.18 0.44 0.09 0.00 0.00 178.44 179.88 3kxp h ASP 141 N 0.26 0.87 0.31 -0.43 3.32 -0.46 0.83 116.42 121.12 3kxp h ASP 141 Ca -0.03 -0.30 -0.09 0.00 0.02 0.00 0.00 57.03 56.63 3kxp h ASP 141 Cb 1.29 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 3kxp h ASP 141 CO 0.12 1.03 -0.38 0.00 -1.72 0.00 0.00 179.24 178.29 3kxp h ALA 142 N 1.04 1.27 0.02 3.45 0.00 -1.23 0.27 119.26 124.07 3kxp h ALA 142 Ca 0.11 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.48 3kxp h ALA 142 Cb 0.70 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.43 3kxp h ALA 142 CO 0.05 0.52 -0.66 1.25 0.00 0.00 0.00 179.25 180.41 3kxp h LEU 143 N 0.09 0.56 -0.79 0.00 6.46 -0.98 -1.78 115.31 118.87 3kxp h LEU 143 Ca 0.01 -0.78 -0.00 0.00 -0.12 0.00 0.00 57.88 56.99 3kxp h LEU 143 Cb 0.72 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.44 3kxp h LEU 143 CO 0.05 1.27 0.48 -0.08 -0.62 0.00 0.00 178.44 179.54 3kxp h GLU 144 N -0.09 1.07 -0.32 1.25 4.81 -0.59 -1.01 114.58 119.70 3kxp h GLU 144 Ca -0.09 -0.09 -0.14 0.00 -0.13 0.00 0.00 59.36 58.91 3kxp h GLU 144 Cb 1.38 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 3kxp h GLU 144 CO 0.13 0.75 -0.37 0.00 -0.73 0.00 0.00 179.01 178.78 3kxp h ALA 145 N 1.26 0.74 -0.47 2.92 0.00 -0.52 -2.88 119.26 120.32 3kxp h ALA 145 Ca 0.28 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3kxp h ALA 145 Cb -0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3kxp h ALA 145 CO -0.05 0.66 0.13 -0.09 0.00 0.00 0.00 179.25 179.90 3kxp h ARG 146 N 0.61 0.74 -0.64 0.00 2.43 -0.78 -3.12 114.38 113.61 3kxp h ARG 146 Ca 0.06 -0.17 -0.08 0.00 -0.81 0.00 0.00 59.98 58.98 3kxp h ARG 146 Cb 0.91 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.34 3kxp h ARG 146 CO 0.08 0.71 0.10 -0.39 -1.51 0.00 0.00 179.97 178.97 3kxp h VAL 147 N 0.62 1.26 0.00 0.20 -1.51 -1.17 -2.65 116.25 113.01 3kxp h VAL 147 Ca 0.15 -1.03 0.00 0.00 -1.23 0.00 0.00 66.70 64.59 3kxp h VAL 147 Cb 0.29 0.68 0.00 0.00 -2.13 0.00 0.00 31.29 30.13 3kxp h VAL 147 CO -0.00 0.38 0.00 0.59 -1.23 0.00 0.00 177.57 177.31 3kxp n ASN 148 N -4.25 0.00 -0.67 4.19 3.02 -1.09 -1.79 115.26 114.67 3kxp n ASN 148 Ca 0.04 0.26 0.09 0.00 -0.03 0.00 0.00 54.58 54.94 3kxp n ASN 148 Cb 0.29 -0.35 0.06 0.00 -0.61 0.00 0.00 39.78 39.17 3kxp n ASN 148 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kxp n ALA 149 N -1.35 2.63 0.05 5.41 0.00 -1.00 -4.50 120.51 121.74 3kxp n ALA 149 Ca 0.04 -0.63 -0.02 0.00 0.00 0.00 0.00 53.44 52.84 3kxp n ALA 149 Cb 0.09 -0.62 -0.07 0.00 0.00 0.00 0.00 19.45 18.84 3kxp n ALA 149 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3kxp h GLY 150 N 3.64 0.00 -6.37 0.00 0.00 -1.39 -3.45 103.07 95.50 3kxp h GLY 150 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 3kxp h GLY 150 CO 0.00 0.00 1.28 -0.45 0.00 0.00 0.00 176.54 177.37 3kxp s SER 151 N -6.05 6.02 0.11 0.19 0.15 -1.26 -4.91 113.70 107.94 3kxp s SER 151 Ca -0.01 1.82 -0.26 0.00 0.70 0.00 0.00 55.95 58.19 3kxp s SER 151 Cb 0.08 -2.52 0.08 0.00 -1.71 0.00 0.00 66.02 61.95 3kxp s SER 151 CO 0.80 -1.52 1.08 0.00 1.20 0.00 0.00 173.24 174.80 3kxp s GLN 152 N 5.32 0.97 -0.23 5.44 -2.07 -1.26 -5.10 119.66 122.73 3kxp s GLN 152 Ca 0.85 -0.56 -0.04 0.00 -1.82 0.00 0.00 55.36 53.79 3kxp s GLN 152 Cb -0.30 0.31 -0.01 0.00 -1.09 0.00 0.00 33.01 31.93 3kxp s GLN 152 CO 0.34 -0.45 -0.03 -1.17 -1.32 0.00 0.00 175.29 172.66 3kxp s LEU 153 N -3.08 2.97 0.15 2.60 2.96 -1.26 -4.17 118.68 118.84 3kxp s LEU 153 Ca 0.15 -0.43 0.06 0.00 -0.22 0.00 0.00 54.13 53.70 3kxp s LEU 153 Cb 0.00 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 3kxp s LEU 153 CO 0.01 -0.03 0.05 -0.36 -1.32 0.00 0.00 176.35 174.69 3kxp s PHE 154 N 1.48 2.98 0.01 5.38 0.40 -0.19 -4.92 117.98 123.12 3kxp s PHE 154 Ca 0.05 -0.07 -0.25 0.00 -0.60 0.00 0.00 56.93 56.07 3kxp s PHE 154 Cb -0.14 -1.46 -0.16 0.00 0.51 0.00 0.00 43.02 41.77 3kxp s PHE 154 CO -0.03 0.51 1.17 0.93 0.70 0.00 0.00 175.22 178.50 3kxp h GLU 155 N 2.77 -0.50 0.00 0.44 5.08 -1.87 0.32 114.58 120.81 3kxp h GLU 155 Ca -0.47 0.03 -0.44 0.00 -1.00 0.00 0.00 59.36 57.48 3kxp h GLU 155 Cb 1.19 0.11 -0.11 0.00 0.50 0.00 0.00 28.75 30.44 3kxp h GLU 155 CO 0.60 -0.19 -0.41 -0.40 -1.00 0.00 0.00 179.01 177.62 3kxp n ASP 156 N -5.18 -0.82 -0.32 1.42 5.68 -1.26 -4.26 116.55 111.81 3kxp n ASP 156 Ca -0.10 -3.11 -0.04 0.00 -0.50 0.00 0.00 54.79 51.03 3kxp n ASP 156 Cb 0.28 1.81 0.08 0.00 -1.14 0.00 0.00 41.12 42.16 3kxp n ASP 156 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3kxp h ILE 157 N 2.05 1.26 -0.70 2.12 6.09 -1.97 -2.07 117.51 124.29 3kxp h ILE 157 Ca -0.24 -0.70 0.05 0.00 -1.37 0.00 0.00 64.86 62.60 3kxp h ILE 157 Cb 1.18 0.12 -0.04 0.00 0.47 0.00 0.00 36.82 38.55 3kxp h ILE 157 CO 0.34 0.31 0.46 0.11 -3.07 0.00 0.00 178.15 176.30 3kxp h LYS 158 N 1.23 0.76 -0.31 2.19 1.57 -1.99 0.15 116.57 120.16 3kxp h LYS 158 Ca 0.30 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.88 3kxp h LYS 158 Cb 0.08 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 3kxp h LYS 158 CO -0.04 0.50 -0.44 0.00 -0.57 0.00 0.00 179.45 178.90 3kxp h ALA 159 N 1.61 0.62 -0.37 3.86 0.00 -1.81 -2.39 119.26 120.78 3kxp h ALA 159 Ca 0.29 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3kxp h ALA 159 Cb 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3kxp h ALA 159 CO -0.09 0.67 0.01 0.28 0.00 0.00 0.00 179.25 180.12 3kxp h VAL 160 N 0.65 1.26 -0.22 0.00 2.07 -0.58 -2.13 116.25 117.29 3kxp h VAL 160 Ca 0.04 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 66.60 3kxp h VAL 160 Cb 1.02 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 3kxp h VAL 160 CO 0.10 0.33 0.10 -0.33 0.02 0.00 0.00 177.57 177.78 3kxp h GLU 161 N 0.48 0.21 0.00 1.57 5.08 -0.72 -1.27 114.58 119.94 3kxp h GLU 161 Ca 0.11 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3kxp h GLU 161 Cb 0.45 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 3kxp h GLU 161 CO 0.02 0.14 -0.01 0.00 -1.00 0.00 0.00 179.01 178.16 3kxp h ALA 162 N 1.12 -0.01 -0.09 3.43 0.00 -1.41 -1.12 119.26 121.18 3kxp h ALA 162 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3kxp h ALA 162 Cb 0.04 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 3kxp h ALA 162 CO -0.07 -0.51 -0.26 -0.92 0.00 0.00 0.00 179.25 177.49 3kxp h TYR 163 N -0.02 -0.70 -0.12 0.00 3.20 -1.16 -2.13 116.97 116.04 3kxp h TYR 163 Ca 0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 3kxp h TYR 163 Cb 0.02 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 3kxp h TYR 163 CO -0.09 -0.34 -0.05 -0.07 -1.64 0.00 0.00 178.16 175.98 3kxp h LEU 164 N -0.35 0.16 -0.86 2.82 3.38 -1.10 -1.86 115.31 117.50 3kxp h LEU 164 Ca 0.09 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3kxp h LEU 164 Cb 0.48 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3kxp h LEU 164 CO -0.29 0.24 0.33 0.00 0.09 0.00 0.00 178.44 178.81 3kxp h ALA 165 N 1.78 1.10 0.00 1.53 0.00 -0.54 0.13 119.26 123.25 3kxp h ALA 165 Ca 0.04 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 3kxp h ALA 165 Cb 0.20 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3kxp h ALA 165 CO 0.01 0.65 -0.73 0.78 0.00 0.00 0.00 179.25 179.96 3kxp h GLY 166 N 1.16 0.00 1.14 0.00 0.00 -1.06 -2.52 103.07 101.79 3kxp h GLY 166 Ca 0.26 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.41 3kxp h GLY 166 CO -0.03 0.00 -0.52 -0.09 0.00 0.00 0.00 176.54 175.91 3kxp h ARG 167 N 0.00 0.89 -2.31 4.80 2.43 -0.90 -3.35 114.38 115.94 3kxp h ARG 167 Ca -0.01 -0.55 -0.59 0.00 -0.81 0.00 0.00 59.98 58.02 3kxp h ARG 167 Cb 1.38 0.06 -0.41 0.00 -0.42 0.00 0.00 29.97 30.58 3kxp h ARG 167 CO 0.10 1.19 -0.76 0.66 -1.51 0.00 0.00 179.97 179.64 3kxp n TYR 168 N -4.02 2.07 -0.21 2.20 4.02 0.40 -4.98 117.16 116.64 3kxp n TYR 168 Ca -0.04 -3.94 0.23 0.00 -0.01 0.00 0.00 57.90 54.14 3kxp n TYR 168 Cb 0.61 -0.43 0.60 0.00 -0.02 0.00 0.00 39.34 40.10 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 4.48 0.23 -0.00 -0.72 0.13 -1.59 -2.01 132.00 132.51 3kxp h PRO 169 Ca 0.16 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3kxp h PRO 169 Cb 0.76 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3kxp h PRO 169 CO 0.67 0.15 -0.16 0.09 -0.23 0.00 0.00 178.00 178.52 3kxp n ASN 170 N -4.42 0.41 -4.69 1.44 3.02 -1.26 -4.85 115.26 104.90 3kxp n ASN 170 Ca 0.19 -0.34 -0.41 0.00 -0.03 0.00 0.00 54.58 53.99 3kxp n ASN 170 Cb 0.81 -0.09 -0.04 0.00 -0.61 0.00 0.00 39.78 39.85 3kxp n ASN 170 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kxp s ILE 171 N -2.66 4.89 0.43 2.41 1.01 -0.76 -4.71 121.20 121.81 3kxp s ILE 171 Ca 0.23 1.80 -0.24 0.00 0.00 0.00 0.00 60.65 62.45 3kxp s ILE 171 Cb 0.19 -4.21 -0.10 0.00 0.01 0.00 0.00 42.46 38.35 3kxp s ILE 171 CO 0.52 0.10 0.95 -2.65 0.00 0.00 0.00 174.94 173.87 3kxp n PRO 172 N 4.53 1.23 -0.27 2.79 -0.02 -1.26 -4.67 135.00 137.32 3kxp n PRO 172 Ca 0.05 0.44 0.06 0.00 -2.02 0.00 0.00 63.50 62.03 3kxp n PRO 172 Cb 0.50 -1.98 0.21 0.00 -0.02 0.00 0.00 33.50 32.20 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 1.39 1.16 -0.92 3.55 0.00 -1.97 0.09 119.26 122.56 3kxp h ALA 173 Ca -0.44 0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.64 3kxp h ALA 173 Cb 1.35 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.12 3kxp h ALA 173 CO 0.56 -0.17 0.60 0.38 0.00 0.00 0.00 179.25 180.62 3kxp h ASP 174 N 0.51 0.93 0.35 0.00 3.04 -1.99 0.15 116.42 119.41 3kxp h ASP 174 Ca 0.44 0.01 -0.18 0.00 -3.24 0.00 0.00 57.03 54.06 3kxp h ASP 174 Cb 0.65 -0.19 -0.01 0.00 -1.04 0.00 0.00 39.33 38.74 3kxp h ASP 174 CO -0.39 0.60 -0.74 0.00 -2.04 0.00 0.00 179.24 176.67 3kxp h ALA 175 N 1.50 0.62 -0.47 4.15 0.00 -1.39 -2.25 119.26 121.42 3kxp h ALA 175 Ca 0.40 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3kxp h ALA 175 Cb 0.19 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3kxp h ALA 175 CO -0.15 0.79 0.22 0.82 0.00 0.00 0.00 179.25 180.93 3kxp h ILE 176 N 0.22 1.19 -0.68 0.00 1.08 0.10 -2.01 117.51 117.42 3kxp h ILE 176 Ca -0.03 -0.54 0.08 0.00 -0.39 0.00 0.00 64.86 63.98 3kxp h ILE 176 Cb 1.31 0.68 -0.07 0.00 -3.07 0.00 0.00 36.82 35.68 3kxp h ILE 176 CO 0.12 0.21 0.33 -0.09 -0.69 0.00 0.00 178.15 178.03 3kxp h ARG 177 N 0.62 0.56 -0.41 2.37 9.65 -0.55 -1.04 114.38 125.57 3kxp h ARG 177 Ca 0.16 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 59.00 3kxp h ARG 177 Cb 0.13 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 3kxp h ARG 177 CO -0.02 0.37 0.25 0.82 2.80 0.00 0.00 179.97 184.19 3kxp h ILE 178 N 0.58 1.13 -0.61 1.20 2.04 -0.94 -0.66 117.51 120.25 3kxp h ILE 178 Ca 0.33 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 3kxp h ILE 178 Cb 0.32 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 3kxp h ILE 178 CO -0.25 0.13 0.28 0.03 0.00 0.00 0.00 178.15 178.34 3kxp h ARG 179 N 0.54 0.87 -0.06 2.37 3.08 -0.74 -1.63 114.38 118.82 3kxp h ARG 179 Ca 0.15 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 3kxp h ARG 179 Cb -0.00 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 3kxp h ARG 179 CO -0.03 0.69 -0.07 0.00 -1.07 0.00 0.00 179.97 179.49 3kxp h ALA 180 N 1.44 0.08 -0.06 0.04 0.00 -0.81 0.65 119.26 120.60 3kxp h ALA 180 Ca 0.21 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3kxp h ALA 180 Cb 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3kxp h ALA 180 CO -0.03 -0.09 -0.30 0.93 0.00 0.00 0.00 179.25 179.77 3kxp h GLU 181 N -0.32 0.12 0.00 0.00 5.08 -1.04 -3.28 114.58 115.13 3kxp h GLU 181 Ca 0.01 -0.04 -0.37 0.00 -1.00 0.00 0.00 59.36 57.96 3kxp h GLU 181 Cb 0.61 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.79 3kxp h GLU 181 CO 0.02 0.41 -2.34 -1.13 -1.00 0.00 0.00 179.01 174.96 3kxp n SER 182 N -4.15 0.65 -0.06 1.42 3.41 -0.62 -4.56 113.62 109.72 3kxp n SER 182 Ca -0.02 0.01 0.14 0.00 -0.26 0.00 0.00 58.87 58.74 3kxp n SER 182 Cb 0.37 0.48 0.53 0.00 -0.26 0.00 0.00 64.21 65.34 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 1.87 -1.15 3.31 5.00 0.00 0.22 -4.89 105.19 109.56 3kxp n GLY 183 Ca -0.35 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.72 2.15 0.02 1.61 1.51 -1.24 -1.36 117.35 117.32 3kxp s TYR 184 Ca 0.21 -0.40 0.08 0.00 -1.01 0.00 0.00 57.07 55.96 3kxp s TYR 184 Cb 0.19 -1.28 -0.02 0.00 -0.11 0.00 0.00 41.96 40.73 3kxp s TYR 184 CO 0.54 0.12 -0.25 1.14 -1.11 0.00 0.00 175.55 175.99 3kxp s GLN 185 N -1.22 1.78 0.18 -0.62 -2.07 -0.05 -4.89 119.66 112.77 3kxp s GLN 185 Ca 0.10 -1.00 -0.30 0.00 -1.82 0.00 0.00 55.36 52.35 3kxp s GLN 185 Cb -0.10 -1.86 -0.08 0.00 -1.09 0.00 0.00 33.01 29.88 3kxp s GLN 185 CO 0.02 0.49 1.25 -1.25 -1.32 0.00 0.00 175.29 174.48 3kxp s PRO 186 N -0.99 4.44 0.31 9.60 0.04 -1.26 -1.90 135.00 145.23 3kxp s PRO 186 Ca 0.10 1.95 0.04 0.00 0.04 0.00 0.00 61.00 63.14 3kxp s PRO 186 Cb -0.10 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 3kxp s PRO 186 CO 0.01 -0.18 0.29 0.14 0.04 0.00 0.00 177.00 177.30 3kxp s VAL 187 N 0.14 0.00 -0.11 -0.36 -7.23 0.72 -4.96 120.40 108.60 3kxp s VAL 187 Ca 0.55 -1.93 -0.29 0.00 -1.81 0.00 0.00 61.98 58.50 3kxp s VAL 187 Cb -0.34 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.04 3kxp s VAL 187 CO 0.37 0.00 1.46 -0.62 -0.31 0.00 0.00 175.10 176.00 3kxp s ASP 188 N -3.31 6.80 0.00 4.85 3.68 -1.26 -2.14 116.67 125.29 3kxp s ASP 188 Ca 0.39 1.96 0.00 0.00 2.13 0.00 0.00 52.55 57.03 3kxp s ASP 188 Cb 0.03 -2.54 0.00 0.00 -1.45 0.00 0.00 42.92 38.96 3kxp s ASP 188 CO 0.24 -0.85 0.00 0.61 0.13 0.00 0.00 175.17 175.30 3kxp n GLY 189 N 3.89 0.94 0.00 2.66 0.00 -1.26 -5.00 105.19 106.41 3kxp n GLY 189 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.03 0.24 3.81 -0.02 0.00 -0.91 -4.55 105.19 103.73 3kxp n GLY 190 Ca 0.00 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 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 4.01 0.04 0.99 2.01 0.11 -0.20 118.68 125.65 3kxp s LEU 191 Ca 0.00 0.23 0.01 0.00 0.01 0.00 0.00 54.13 54.38 3kxp s LEU 191 Cb 0.00 -2.25 -0.03 0.00 0.01 0.00 0.00 46.19 43.92 3kxp s LEU 191 CO 0.00 0.30 -0.06 -0.60 1.01 0.00 0.00 176.35 177.01 3kxp s ARG 192 N -1.57 0.50 0.50 1.70 3.52 -0.80 -1.02 118.95 121.78 3kxp s ARG 192 Ca 0.21 -0.82 -0.23 0.00 -0.13 0.00 0.00 55.73 54.76 3kxp s ARG 192 Cb -0.12 -0.11 -0.06 0.00 -1.56 0.00 0.00 34.95 33.10 3kxp s ARG 192 CO 0.12 -0.00 1.35 -2.14 -0.81 0.00 0.00 175.30 173.82 3kxp s PRO 193 N -2.00 3.43 0.21 5.12 0.02 -1.26 -0.87 135.00 139.65 3kxp s PRO 193 Ca -0.08 2.23 0.01 0.00 0.02 0.00 0.00 61.00 63.18 3kxp s PRO 193 Cb -0.07 -2.43 0.17 0.00 0.02 0.00 0.00 34.50 32.20 3kxp s PRO 193 CO -0.02 -0.96 1.52 -0.07 -0.33 0.00 0.00 177.00 177.15 3kxp h LEU 194 N 1.87 0.41 -9.97 -5.54 3.38 -1.55 -3.45 115.31 100.47 3kxp h LEU 194 Ca -0.51 -0.24 -0.54 0.00 0.09 0.00 0.00 57.88 56.69 3kxp h LEU 194 Cb 1.28 -0.12 0.10 0.00 0.09 0.00 0.00 40.66 42.02 3kxp h LEU 194 CO 0.59 0.92 0.66 0.00 0.09 0.00 0.00 178.44 180.71 3kxp s ALA 195 N -3.80 3.25 -0.18 1.53 0.00 -1.26 -4.64 121.76 116.66 3kxp s ALA 195 Ca -0.05 1.37 -0.29 0.00 0.00 0.00 0.00 51.96 52.98 3kxp s ALA 195 Cb 0.11 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 3kxp s ALA 195 CO 0.82 -1.04 1.19 0.45 0.00 0.00 0.00 175.76 177.18 3kxp s SER 196 N -0.61 7.00 0.29 0.00 0.15 -0.71 -4.91 113.70 114.91 3kxp s SER 196 Ca 0.59 1.60 -0.02 0.00 0.70 0.00 0.00 55.95 58.82 3kxp s SER 196 Cb -0.41 -2.54 0.41 0.00 -1.71 0.00 0.00 66.02 61.77 3kxp s SER 196 CO 0.53 -0.73 1.92 0.77 1.20 0.00 0.00 173.24 176.94 3kxp h SER 197 N 7.94 0.92 -0.91 5.45 4.64 -1.92 -1.54 113.55 128.12 3kxp h SER 197 Ca -0.24 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3kxp h SER 197 Cb 1.09 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 62.90 3kxp h SER 197 CO 0.97 0.73 0.58 0.00 -0.87 0.00 0.00 176.83 178.24 3kxp h ALA 198 N 1.43 1.16 0.00 5.18 0.00 -1.99 -1.46 119.26 123.58 3kxp h ALA 198 Ca 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kxp h ALA 198 Cb -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.42 3kxp h ALA 198 CO -0.05 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.79 3kxp n ALA 199 N -2.37 1.76 0.00 0.00 0.00 -0.58 -2.52 120.51 116.80 3kxp n ALA 199 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3kxp n ALA 199 Cb 0.03 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 0.72 0.00 -0.18 0.00 0.00 -0.55 -0.80 120.51 119.70 3kxp n ALA 201 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3kxp n ALA 201 Cb 0.15 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.61 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 0.89 -0.03 0.00 4.20 -1.77 -2.14 115.11 116.26 3kxp h GLN 202 Ca 0.00 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.44 3kxp h GLN 202 Cb 0.00 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 3kxp h GLN 202 CO 0.00 0.91 0.02 1.15 -0.67 0.00 0.00 178.83 180.24 3kxp h THR 203 N 0.76 1.03 -0.25 -0.54 2.02 -1.15 0.11 112.91 114.88 3kxp h THR 203 Ca 0.15 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 67.29 3kxp h THR 203 Cb 0.50 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 3kxp h THR 203 CO 0.02 0.02 0.02 0.00 0.37 0.00 0.00 175.52 175.95 3kxp h ALA 204 N 0.99 0.24 -0.86 6.16 0.00 -1.80 0.33 119.26 124.31 3kxp h ALA 204 Ca 0.01 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3kxp h ALA 204 Cb 0.02 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3kxp h ALA 204 CO -0.00 -0.40 0.56 -0.09 0.00 0.00 0.00 179.25 179.32 3kxp h ARG 205 N 0.10 0.99 0.00 0.00 2.43 -1.20 -1.30 114.38 115.41 3kxp h ARG 205 Ca 0.12 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 3kxp h ARG 205 Cb 0.14 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3kxp h ARG 205 CO -0.18 0.66 -0.24 0.78 -1.51 0.00 0.00 179.97 179.48 3kxp h GLY 206 N 1.02 0.00 0.97 2.80 0.00 0.10 -2.86 103.07 105.11 3kxp h GLY 206 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 3kxp h GLY 206 CO -0.12 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.46 3kxp n LEU 207 N -3.51 0.00 -0.06 3.11 4.77 -0.08 -2.26 117.00 118.97 3kxp n LEU 207 Ca -0.01 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 3kxp n LEU 207 Cb 0.40 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.76 3kxp n LEU 207 CO 0.33 0.00 0.49 0.54 -1.33 0.00 0.00 177.39 177.42 3kxp n ARG 208 N -0.99 0.21 -1.80 3.23 1.74 -1.08 -4.94 116.66 113.04 3kxp n ARG 208 Ca 0.13 -0.13 -0.40 0.00 -0.77 0.00 0.00 57.85 56.69 3kxp n ARG 208 Cb 0.06 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.02 3kxp n ARG 208 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3kxp s SER 209 N -2.87 5.99 0.02 0.55 1.04 -0.96 -4.89 113.70 112.58 3kxp s SER 209 Ca 0.14 2.96 -0.30 0.00 0.48 0.00 0.00 55.95 59.24 3kxp s SER 209 Cb 0.18 -2.66 -0.09 0.00 0.10 0.00 0.00 66.02 63.56 3kxp s SER 209 CO 0.66 -1.10 1.99 -0.62 0.98 0.00 0.00 173.24 175.14 3kxp s ASP 210 N -0.40 6.37 0.00 7.02 2.15 -1.26 -4.87 116.67 125.67 3kxp s ASP 210 Ca 0.59 2.61 0.24 0.00 0.43 0.00 0.00 52.55 56.42 3kxp s ASP 210 Cb -0.45 -2.53 0.20 0.00 -0.30 0.00 0.00 42.92 39.85 3kxp s ASP 210 CO 0.58 -1.12 1.26 -0.11 -0.17 0.00 0.00 175.17 175.61 3kxp n LEU 211 N 7.86 2.80 -0.11 -1.34 7.94 -1.26 -4.55 117.00 128.34 3kxp n LEU 211 Ca 0.21 -0.94 -0.06 0.00 -1.11 0.00 0.00 56.01 54.11 3kxp n LEU 211 Cb 0.41 -0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.38 3kxp n LEU 211 CO 0.68 0.47 0.90 0.58 -1.11 0.00 0.00 177.39 178.91 3kxp h VAL 212 N 4.29 0.81 -0.96 1.96 2.07 -1.96 -2.53 116.25 119.94 3kxp h VAL 212 Ca 0.00 -0.07 0.14 0.00 0.82 0.00 0.00 66.70 67.60 3kxp h VAL 212 Cb 0.94 0.60 -0.09 0.00 -1.52 0.00 0.00 31.29 31.22 3kxp h VAL 212 CO 0.00 0.04 0.57 -0.65 0.02 0.00 0.00 177.57 177.55 3kxp h PRO 213 N 0.20 0.81 0.45 1.57 0.11 -1.99 0.12 132.00 133.26 3kxp h PRO 213 Ca 0.17 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 3kxp h PRO 213 Cb 0.20 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.13 3kxp h PRO 213 CO -0.23 0.54 -0.21 0.00 -0.21 0.00 0.00 178.00 177.88 3kxp h ALA 214 N 1.57 -0.60 -0.73 -0.75 0.00 -1.77 -1.33 119.26 115.64 3kxp h ALA 214 Ca 0.51 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 3kxp h ALA 214 Cb 0.63 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3kxp h ALA 214 CO -0.32 -0.75 0.32 1.88 0.00 0.00 0.00 179.25 180.38 3kxp h TYR 215 N -0.76 1.07 -0.47 0.00 -1.99 -1.16 -1.86 116.97 111.80 3kxp h TYR 215 Ca -0.06 -0.06 -0.06 0.00 2.00 0.00 0.00 58.73 60.55 3kxp h TYR 215 Cb 0.54 -0.33 -0.02 0.00 2.00 0.00 0.00 36.73 38.92 3kxp h TYR 215 CO -0.01 0.80 0.04 -0.09 -0.00 0.00 0.00 178.16 178.90 3kxp h ARG 216 N 1.05 0.80 0.00 4.88 1.12 -0.76 -3.30 114.38 118.17 3kxp h ARG 216 Ca 0.25 -0.23 -0.05 0.00 -1.11 0.00 0.00 59.98 58.84 3kxp h ARG 216 Cb 0.15 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.02 3kxp h ARG 216 CO -0.03 0.83 -0.72 -0.44 -3.11 0.00 0.00 179.97 176.51 3kxp h ASP 217 N 0.66 0.00 -1.93 -3.80 3.32 -1.11 -3.47 116.42 110.09 3kxp h ASP 217 Ca 0.14 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.55 3kxp h ASP 217 Cb 0.44 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.05 3kxp h ASP 217 CO 0.02 0.18 0.55 0.52 -1.72 0.00 0.00 179.24 178.79 3kxp n VAL 218 N -2.92 0.11 0.27 -1.35 0.31 -0.71 -4.87 118.33 109.17 3kxp n VAL 218 Ca -0.00 -0.03 0.07 0.00 -0.01 0.00 0.00 64.34 64.37 3kxp n VAL 218 Cb 0.62 -1.07 -0.09 0.00 -0.91 0.00 0.00 33.84 32.39 3kxp n VAL 218 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3kxp n THR 219 N 2.70 0.00 -3.10 2.52 -2.24 -1.26 -4.99 114.28 107.90 3kxp n THR 219 Ca 0.17 -0.26 -0.31 0.00 -2.27 0.00 0.00 64.05 61.39 3kxp n THR 219 Cb 0.23 0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 68.95 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 -2.66 3.81 0.33 -0.78 -0.14 -1.26 -5.01 119.74 114.03 3kxp s LYS 220 Ca -0.01 0.40 -0.28 0.00 -1.36 0.00 0.00 55.97 54.73 3kxp s LYS 220 Cb 0.09 -2.49 -0.13 0.00 -1.68 0.00 0.00 37.83 33.63 3kxp s LYS 220 CO 0.56 0.11 1.16 -2.30 -0.76 0.00 0.00 175.35 174.13 3kxp n PRO 221 N -0.81 1.77 -3.69 -1.68 -0.02 -1.26 -4.82 135.00 124.49 3kxp n PRO 221 Ca 0.02 0.62 -0.19 0.00 -2.02 0.00 0.00 63.50 61.93 3kxp n PRO 221 Cb 0.53 -2.12 -0.17 0.00 -0.02 0.00 0.00 33.50 31.72 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 -1.10 -0.12 -0.24 -1.45 1.01 -1.26 -0.50 120.40 116.75 3kxp s VAL 222 Ca 0.57 0.38 -0.13 0.00 0.00 0.00 0.00 61.98 62.80 3kxp s VAL 222 Cb -0.62 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 3kxp s VAL 222 CO 0.61 0.16 0.30 -0.22 0.00 0.00 0.00 175.10 175.94 3kxp s LEU 223 N 1.97 4.09 -0.25 3.92 2.96 0.97 -4.01 118.68 128.33 3kxp s LEU 223 Ca 0.02 0.27 -0.14 0.00 -0.22 0.00 0.00 54.13 54.06 3kxp s LEU 223 Cb -0.12 -2.32 -0.04 0.00 0.50 0.00 0.00 46.19 44.20 3kxp s LEU 223 CO -0.03 -0.06 0.33 -0.63 -1.32 0.00 0.00 176.35 174.63 3kxp s ILE 224 N 1.50 5.22 -0.13 6.68 1.01 -0.75 -0.59 121.20 134.14 3kxp s ILE 224 Ca 0.13 0.50 0.02 0.00 0.00 0.00 0.00 60.65 61.30 3kxp s ILE 224 Cb -0.15 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.66 3kxp s ILE 224 CO 0.08 0.22 -0.20 -0.69 0.00 0.00 0.00 174.94 174.35 3kxp s VAL 225 N 1.72 2.34 -0.01 2.92 1.01 -0.75 -0.28 120.40 127.34 3kxp s VAL 225 Ca 0.14 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.26 3kxp s VAL 225 Cb -0.15 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 3kxp s VAL 225 CO 0.09 0.54 -0.12 -0.60 0.00 0.00 0.00 175.10 175.01 3kxp s ARG 226 N 0.61 1.00 0.03 2.72 3.52 -0.24 0.10 118.95 126.69 3kxp s ARG 226 Ca -0.11 -0.45 -0.30 0.00 -0.13 0.00 0.00 55.73 54.75 3kxp s ARG 226 Cb -0.16 -0.96 -0.04 0.00 -1.56 0.00 0.00 34.95 32.23 3kxp s ARG 226 CO 0.03 0.26 0.97 0.20 -0.81 0.00 0.00 175.30 175.96 3kxp s GLY 227 N -0.31 2.94 0.29 8.12 0.00 -1.26 -0.45 107.32 116.66 3kxp s GLY 227 Ca 0.05 0.55 0.04 0.00 0.00 0.00 0.00 44.72 45.35 3kxp s GLY 227 CO -0.00 1.62 1.72 -2.09 0.00 0.00 0.00 173.10 174.35 3kxp h GLU 228 N 6.46 0.49 -0.47 2.90 4.81 -0.24 -1.50 114.58 127.03 3kxp h GLU 228 Ca -0.42 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 3kxp h GLU 228 Cb 1.22 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.49 3kxp h GLU 228 CO 0.74 0.32 0.00 -1.13 -0.73 0.00 0.00 179.01 178.21 3kxp n SER 229 N -4.96 4.28 -4.66 1.04 3.41 0.09 -4.97 113.62 107.85 3kxp n SER 229 Ca 0.22 -2.58 -0.44 0.00 -0.26 0.00 0.00 58.87 55.81 3kxp n SER 229 Cb 0.62 -0.51 -0.01 0.00 -0.26 0.00 0.00 64.21 64.04 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 0.49 2.26 0.00 4.04 2.88 -0.57 -4.66 113.62 118.06 3kxp n SER 230 Ca 0.22 1.19 0.10 0.00 -1.33 0.00 0.00 58.87 59.05 3kxp n SER 230 Cb 0.84 -1.41 -0.08 0.00 -0.75 0.00 0.00 64.21 62.81 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 0.87 0.11 -0.07 -1.46 5.02 -1.26 -4.42 118.16 116.95 3kxp n LYS 231 Ca 0.08 -0.03 -0.20 0.00 -2.02 0.00 0.00 58.31 56.13 3kxp n LYS 231 Cb 0.34 -1.51 -0.12 0.00 -0.02 0.00 0.00 35.03 33.71 3kxp n LYS 231 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3kxp h LEU 232 N 0.00 0.09 -8.01 -0.35 7.12 -1.92 -3.43 115.31 108.81 3kxp h LEU 232 Ca 0.00 -0.68 -0.73 0.00 0.13 0.00 0.00 57.88 56.60 3kxp h LEU 232 Cb 0.59 -0.03 -0.28 0.00 -0.53 0.00 0.00 40.66 40.41 3kxp h LEU 232 CO 0.00 1.45 -0.35 -0.69 -0.13 0.00 0.00 178.44 178.72 3kxp s VAL 233 N -2.37 4.49 1.05 1.05 1.01 -1.26 -4.74 120.40 119.63 3kxp s VAL 233 Ca -0.25 -1.67 -0.12 0.00 0.00 0.00 0.00 61.98 59.94 3kxp s VAL 233 Cb 0.04 -3.91 0.22 0.00 0.00 0.00 0.00 36.38 32.73 3kxp s VAL 233 CO 0.65 -0.77 1.07 -0.94 0.00 0.00 0.00 175.10 175.11 3kxp s SER 234 N 2.87 2.08 0.20 3.32 1.04 -1.26 -4.70 113.70 117.24 3kxp s SER 234 Ca 0.05 1.31 -0.05 0.00 0.48 0.00 0.00 55.95 57.74 3kxp s SER 234 Cb -0.27 -2.02 0.14 0.00 0.10 0.00 0.00 66.02 63.97 3kxp s SER 234 CO 0.01 -3.49 1.58 0.00 0.98 0.00 0.00 173.24 172.32 3kxp h ALA 235 N -2.14 0.79 -0.51 5.32 0.00 -1.93 -2.47 119.26 118.33 3kxp h ALA 235 Ca -0.57 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 53.93 3kxp h ALA 235 Cb 1.33 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3kxp h ALA 235 CO 0.55 0.65 0.32 0.00 0.00 0.00 0.00 179.25 180.77 3kxp h ALA 236 N 1.01 0.64 -0.73 0.00 0.00 -1.99 0.56 119.26 118.76 3kxp h ALA 236 Ca 0.07 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3kxp h ALA 236 Cb 0.85 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3kxp h ALA 236 CO 0.07 0.11 0.26 0.00 0.00 0.00 0.00 179.25 179.70 3kxp h ALA 237 N 1.16 0.95 -0.43 0.00 0.00 -1.78 0.40 119.26 119.56 3kxp h ALA 237 Ca 0.18 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3kxp h ALA 237 Cb -0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3kxp h ALA 237 CO -0.04 0.60 0.07 1.25 0.00 0.00 0.00 179.25 181.13 3kxp h LEU 238 N 1.06 0.69 -0.64 0.00 5.85 -1.06 -0.49 115.31 120.71 3kxp h LEU 238 Ca 0.24 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.72 3kxp h LEU 238 Cb 0.25 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 3kxp h LEU 238 CO -0.01 0.77 0.41 0.00 -0.34 0.00 0.00 178.44 179.26 3kxp h ALA 239 N 0.94 0.82 -0.26 1.25 0.00 -0.50 -1.30 119.26 120.21 3kxp h ALA 239 Ca 0.13 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3kxp h ALA 239 Cb 0.37 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3kxp h ALA 239 CO 0.01 0.19 -0.13 0.87 0.00 0.00 0.00 179.25 180.18 3kxp h LYS 240 N 0.82 0.44 -0.44 0.00 1.57 -0.68 -2.83 116.57 115.44 3kxp h LYS 240 Ca 0.25 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.79 3kxp h LYS 240 Cb -0.03 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3kxp h LYS 240 CO -0.08 0.57 -0.17 1.15 -0.57 0.00 0.00 179.45 180.36 3kxp h THR 241 N 0.41 1.27 0.00 -0.16 2.02 -0.03 -2.78 112.91 113.63 3kxp h THR 241 Ca 0.08 -1.28 -0.03 0.00 0.77 0.00 0.00 66.41 65.94 3kxp h THR 241 Cb 0.48 1.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.99 3kxp h THR 241 CO 0.03 0.44 -0.16 0.28 0.37 0.00 0.00 175.52 176.48 3kxp h SER 242 N 0.75 0.00 1.55 4.18 0.02 -1.05 -1.76 113.55 117.24 3kxp h SER 242 Ca 0.11 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 3kxp h SER 242 Cb 0.69 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 3kxp h SER 242 CO 0.05 0.16 -0.35 0.03 -1.14 0.00 0.00 176.83 175.57 3kxp h ARG 243 N 0.00 0.00 0.05 3.45 3.08 -1.30 0.17 114.38 119.83 3kxp h ARG 243 Ca -0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.80 3kxp h ARG 243 Cb 0.77 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 3kxp h ARG 243 CO 0.02 0.35 -1.23 1.25 -1.07 0.00 0.00 179.97 179.29 3kxp h LEU 244 N 0.00 0.17 -5.71 3.04 7.12 -1.19 -3.40 115.31 115.34 3kxp h LEU 244 Ca -0.00 -0.20 -0.42 0.00 0.13 0.00 0.00 57.88 57.38 3kxp h LEU 244 Cb 1.22 -0.06 -0.29 0.00 -0.53 0.00 0.00 40.66 41.00 3kxp h LEU 244 CO 0.05 1.16 -0.83 0.54 -0.13 0.00 0.00 178.44 179.23 3kxp n ARG 245 N -3.38 0.54 0.06 1.25 5.12 -0.70 -4.90 116.66 114.65 3kxp n ARG 245 Ca -0.07 -2.68 0.07 0.00 -1.93 0.00 0.00 57.85 53.24 3kxp n ARG 245 Cb 0.99 -1.44 0.30 0.00 -1.16 0.00 0.00 32.46 31.15 3kxp n ARG 245 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3kxp n PRO 246 N 2.15 0.07 0.18 5.56 -0.04 0.58 -2.39 135.00 141.10 3kxp n PRO 246 Ca 0.20 0.44 0.06 0.00 -0.04 0.00 0.00 63.50 64.17 3kxp n PRO 246 Cb 0.54 -1.66 0.15 0.00 -0.04 0.00 0.00 33.50 32.49 3kxp n PRO 246 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 3kxp h ASP 247 N 0.00 0.00 -2.93 3.54 3.04 -1.94 -3.45 116.42 114.68 3kxp h ASP 247 Ca 0.00 0.00 -0.55 0.00 -3.24 0.00 0.00 57.03 53.24 3kxp h ASP 247 Cb 0.14 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.42 3kxp h ASP 247 CO 0.00 0.32 0.83 -0.76 -2.04 0.00 0.00 179.24 177.59 3kxp s LEU 248 N -6.45 4.29 0.53 0.15 1.43 -1.00 -4.98 118.68 112.64 3kxp s LEU 248 Ca 0.04 1.99 -0.22 0.00 -1.03 0.00 0.00 54.13 54.91 3kxp s LEU 248 Cb 0.07 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.69 3kxp s LEU 248 CO 0.70 -0.71 1.30 -2.16 0.23 0.00 0.00 176.35 175.72 3kxp s PRO 249 N 2.62 3.26 0.01 1.29 0.04 -1.26 -4.87 135.00 136.09 3kxp s PRO 249 Ca 0.61 2.08 0.05 0.00 0.04 0.00 0.00 61.00 63.79 3kxp s PRO 249 Cb -0.29 -2.25 -0.02 0.00 0.04 0.00 0.00 34.50 31.98 3kxp s PRO 249 CO 0.24 -1.05 -0.16 0.08 0.04 0.00 0.00 177.00 176.16 3kxp s VAL 250 N -1.39 1.24 -0.09 -0.36 1.01 -1.26 -1.81 120.40 117.74 3kxp s VAL 250 Ca 0.70 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 3kxp s VAL 250 Cb -0.37 -1.07 0.03 0.00 0.00 0.00 0.00 36.38 34.98 3kxp s VAL 250 CO 0.43 0.21 -0.00 -0.69 0.00 0.00 0.00 175.10 175.04 3kxp s VAL 251 N -0.59 0.48 -0.27 2.92 1.01 0.61 -4.97 120.40 119.59 3kxp s VAL 251 Ca 0.05 -0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.95 3kxp s VAL 251 Cb -0.07 -0.65 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 3kxp s VAL 251 CO 0.00 0.22 0.08 -0.69 0.00 0.00 0.00 175.10 174.72 3kxp s VAL 252 N 1.93 4.19 -0.35 2.92 1.01 -1.26 -1.07 120.40 127.77 3kxp s VAL 252 Ca 0.04 -0.38 -0.20 0.00 0.00 0.00 0.00 61.98 61.45 3kxp s VAL 252 Cb -0.13 -3.04 -0.00 0.00 0.00 0.00 0.00 36.38 33.21 3kxp s VAL 252 CO -0.06 0.23 0.60 -0.69 0.00 0.00 0.00 175.10 175.19 3kxp s VAL 253 N 1.57 4.93 0.44 2.92 1.01 0.41 -4.83 120.40 126.85 3kxp s VAL 253 Ca 0.05 0.55 -0.23 0.00 0.00 0.00 0.00 61.98 62.35 3kxp s VAL 253 Cb -0.16 -4.04 -0.08 0.00 0.00 0.00 0.00 36.38 32.10 3kxp s VAL 253 CO 0.03 -0.27 1.12 -2.84 0.00 0.00 0.00 175.10 173.14 3kxp s PRO 254 N 2.62 3.90 -0.03 2.72 0.02 -1.26 -0.64 135.00 142.32 3kxp s PRO 254 Ca 0.23 1.66 0.00 0.00 0.02 0.00 0.00 61.00 62.91 3kxp s PRO 254 Cb -0.15 -2.43 0.00 0.00 0.02 0.00 0.00 34.50 31.94 3kxp s PRO 254 CO 0.14 -0.41 0.00 0.41 -0.33 0.00 0.00 177.00 176.81 3kxp n GLY 255 N 0.37 0.40 3.24 0.52 0.00 -1.26 -4.91 105.19 103.55 3kxp n GLY 255 Ca 0.07 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.78 1.81 0.01 4.61 0.00 -1.17 -4.92 121.76 120.31 3kxp s ALA 256 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.01 3kxp s ALA 256 Cb 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.67 3kxp s ALA 256 CO 0.00 0.44 0.00 -0.40 0.00 0.00 0.00 175.76 175.80 3kxp n ASP 257 N 2.49 0.00 -0.09 0.00 3.85 -1.26 -0.73 116.55 120.81 3kxp n ASP 257 Ca -0.15 0.00 -0.01 0.00 -0.71 0.00 0.00 54.79 53.92 3kxp n ASP 257 Cb 0.53 0.00 0.27 0.00 -1.35 0.00 0.00 41.12 40.56 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 0.72 -0.93 2.11 -0.00 -1.88 -3.31 115.15 111.86 3kxp h HIS 258 Ca 0.00 -0.04 -0.74 0.00 -0.00 0.00 0.00 60.37 59.59 3kxp h HIS 258 Cb 0.00 -0.22 -0.11 0.00 -0.00 0.00 0.00 27.41 27.07 3kxp h HIS 258 CO 0.00 0.59 2.43 0.66 -0.00 0.00 0.00 177.93 181.60 3kxp n TYR 259 N -4.33 3.05 0.29 5.26 4.01 -1.26 -4.81 117.16 119.36 3kxp n TYR 259 Ca 0.04 -2.85 -0.16 0.00 -0.16 0.00 0.00 57.90 54.77 3kxp n TYR 259 Cb 0.18 -2.12 -0.08 0.00 -0.31 0.00 0.00 39.34 37.00 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 3.70 0.46 0.00 -0.72 2.07 -1.95 -0.06 116.25 119.75 3kxp h VAL 260 Ca 0.48 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.83 3kxp h VAL 260 Cb 0.60 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3kxp h VAL 260 CO 1.70 0.03 -0.05 -0.55 0.02 0.00 0.00 177.57 178.72 3kxp h ASN 261 N -0.81 0.00 0.11 0.57 -0.00 -1.87 0.22 115.58 113.80 3kxp h ASN 261 Ca -0.07 0.00 -0.30 0.00 -0.00 0.00 0.00 56.30 55.92 3kxp h ASN 261 Cb 0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.90 3kxp h ASN 261 CO 0.12 0.05 -1.60 -0.33 -0.00 0.00 0.00 177.43 175.66 3kxp h GLU 262 N 0.00 0.23 -0.02 4.14 5.08 -1.93 -3.26 114.58 118.82 3kxp h GLU 262 Ca -0.00 -0.39 -0.17 0.00 -1.00 0.00 0.00 59.36 57.80 3kxp h GLU 262 Cb 0.12 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3kxp h GLU 262 CO 0.01 1.19 -0.75 0.28 -1.00 0.00 0.00 179.01 178.74 3kxp h VAL 263 N -0.25 1.47 -2.41 3.13 2.07 -0.86 -3.38 116.25 116.01 3kxp h VAL 263 Ca -0.35 -2.40 -0.59 0.00 0.82 0.00 0.00 66.70 64.18 3kxp h VAL 263 Cb 1.81 2.29 -0.40 0.00 -1.52 0.00 0.00 31.29 33.48 3kxp h VAL 263 CO 0.04 0.70 -0.86 -1.20 0.02 0.00 0.00 177.57 176.26 3kxp n SER 264 N -3.72 1.10 -0.14 0.57 7.64 0.05 -4.96 113.62 114.15 3kxp n SER 264 Ca -0.02 -2.80 -0.10 0.00 1.01 0.00 0.00 58.87 56.96 3kxp n SER 264 Cb 0.72 -0.64 -0.01 0.00 -1.01 0.00 0.00 64.21 63.27 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 4.96 0.67 0.18 1.43 0.13 -1.74 -2.43 132.00 135.20 3kxp h PRO 265 Ca 0.18 -0.17 -0.01 0.00 -0.87 0.00 0.00 66.00 65.14 3kxp h PRO 265 Cb 0.83 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 3kxp h PRO 265 CO 0.54 0.70 -0.10 0.93 -0.23 0.00 0.00 178.00 179.84 3kxp h GLU 266 N 0.54 -0.26 -0.15 0.86 4.39 -1.93 -1.29 114.58 116.74 3kxp h GLU 266 Ca 0.13 0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.77 3kxp h GLU 266 Cb 0.33 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 3kxp h GLU 266 CO 0.00 -0.17 -0.26 0.82 -1.16 0.00 0.00 179.01 178.24 3kxp h ILE 267 N -0.27 1.25 -0.24 3.13 2.04 -1.97 -1.73 117.51 119.72 3kxp h ILE 267 Ca -0.02 -1.17 -0.04 0.00 1.00 0.00 0.00 64.86 64.63 3kxp h ILE 267 Cb 0.22 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 3kxp h ILE 267 CO 0.02 0.36 -0.02 0.74 0.00 0.00 0.00 178.15 179.26 3kxp h THR 268 N 0.24 1.26 0.54 -0.27 2.02 -1.21 -0.19 112.91 115.31 3kxp h THR 268 Ca 0.04 -0.94 -0.02 0.00 0.77 0.00 0.00 66.41 66.25 3kxp h THR 268 Cb 0.60 1.41 -0.00 0.00 -1.74 0.00 0.00 68.15 68.42 3kxp h THR 268 CO 0.04 0.29 -0.30 0.25 0.37 0.00 0.00 175.52 176.17 3kxp h LEU 269 N 0.19 -0.75 -1.00 2.58 5.85 -1.03 -0.56 115.31 120.59 3kxp h LEU 269 Ca 0.07 0.04 0.14 0.00 0.84 0.00 0.00 57.88 58.96 3kxp h LEU 269 Cb 0.44 0.21 -0.09 0.00 0.37 0.00 0.00 40.66 41.59 3kxp h LEU 269 CO 0.02 -0.49 0.62 0.50 -0.34 0.00 0.00 178.44 178.75 3kxp h LYS 270 N -0.79 0.91 -0.47 1.25 3.11 -1.32 -0.74 116.57 118.52 3kxp h LYS 270 Ca -0.07 -0.05 -0.06 0.00 -2.81 0.00 0.00 60.65 57.66 3kxp h LYS 270 Cb 0.63 -0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 31.64 3kxp h LYS 270 CO 0.09 0.60 0.07 0.00 -2.81 0.00 0.00 179.45 177.40 3kxp h ALA 271 N 1.56 0.63 -0.32 5.00 0.00 -0.70 -1.62 119.26 123.82 3kxp h ALA 271 Ca 0.52 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 3kxp h ALA 271 Cb 0.59 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3kxp h ALA 271 CO -0.29 0.36 0.10 0.82 0.00 0.00 0.00 179.25 180.23 3kxp h ILE 272 N 0.66 1.21 -0.06 0.00 2.04 0.15 -2.89 117.51 118.61 3kxp h ILE 272 Ca 0.14 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 3kxp h ILE 272 Cb 0.40 1.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3kxp h ILE 272 CO 0.01 0.23 0.02 0.71 0.00 0.00 0.00 178.15 179.12 3kxp h THR 273 N 0.35 1.14 -0.42 -0.27 1.35 -1.14 -0.89 112.91 113.04 3kxp h THR 273 Ca 0.10 -0.42 0.12 0.00 -0.55 0.00 0.00 66.41 65.66 3kxp h THR 273 Cb 0.26 1.32 -0.02 0.00 -1.73 0.00 0.00 68.15 67.98 3kxp h THR 273 CO -0.00 0.12 0.54 0.78 -0.25 0.00 0.00 175.52 176.70 3kxp h ASN 274 N -0.07 0.00 0.00 5.36 2.35 -1.27 0.15 115.58 122.10 3kxp h ASN 274 Ca 0.02 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 3kxp h ASN 274 Cb 0.17 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 3kxp h ASN 274 CO -0.00 0.00 -0.36 0.15 -1.65 0.00 0.00 177.43 175.57 3kxp h PHE 275 N 0.00 0.00 0.00 1.19 -0.00 -1.13 -3.35 116.94 113.65 3kxp h PHE 275 Ca 0.20 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 58.13 3kxp h PHE 275 Cb 1.27 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.22 3kxp h PHE 275 CO 0.00 0.24 -0.19 -0.84 -0.00 0.00 0.00 178.31 177.51 3kxp h ILE 276 N -1.00 0.43 -0.20 1.41 3.07 -0.76 -3.14 117.51 117.32 3kxp h ILE 276 Ca -0.04 -1.15 0.00 0.00 1.55 0.00 0.00 64.86 65.22 3kxp h ILE 276 Cb 0.45 1.84 0.00 0.00 -0.27 0.00 0.00 36.82 38.84 3kxp h ILE 276 CO -0.02 0.19 0.00 0.47 -1.05 0.00 0.00 178.15 177.74 3kxp n ASP 277 N -3.28 1.94 0.00 2.16 9.92 0.49 -5.09 116.55 122.70 3kxp n ASP 277 Ca 0.01 -1.76 0.11 0.00 -0.53 0.00 0.00 54.79 52.61 3kxp n ASP 277 Cb 0.46 -0.13 0.62 0.00 -0.64 0.00 0.00 41.12 41.44 3kxp n ASP 277 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33