#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 3.60 -0.11 -1.40 0.40 -1.26 -4.90 117.98 114.30 3kxp s PHE 12 Ca 0.00 1.08 0.01 0.00 -0.60 0.00 0.00 56.93 57.41 3kxp s PHE 12 Cb 0.00 -2.53 0.02 0.00 0.51 0.00 0.00 43.02 41.02 3kxp s PHE 12 CO 0.00 -0.50 -0.11 0.96 0.70 0.00 0.00 175.22 176.27 3kxp s ILE 13 N -2.97 1.27 0.04 0.64 -4.36 -0.59 -4.94 121.20 110.30 3kxp s ILE 13 Ca 0.52 -0.47 0.01 0.00 -0.26 0.00 0.00 60.65 60.45 3kxp s ILE 13 Cb -0.11 -1.21 -0.04 0.00 1.25 0.00 0.00 42.46 42.35 3kxp s ILE 13 CO 0.49 0.40 0.11 -0.44 0.24 0.00 0.00 174.94 175.74 3kxp s SER 14 N 1.35 5.76 -0.24 4.36 0.01 -1.26 -0.13 113.70 123.56 3kxp s SER 14 Ca -0.00 0.11 -0.27 0.00 1.31 0.00 0.00 55.95 57.10 3kxp s SER 14 Cb -0.14 -1.64 0.12 0.00 0.21 0.00 0.00 66.02 64.58 3kxp s SER 14 CO -0.06 0.21 1.02 0.00 0.41 0.00 0.00 173.24 174.82 3kxp s ARG 15 N -2.18 0.53 -0.21 12.44 1.70 -0.45 -4.98 118.95 125.81 3kxp s ARG 15 Ca 0.28 0.43 -0.28 0.00 -0.47 0.00 0.00 55.73 55.69 3kxp s ARG 15 Cb -0.12 0.26 0.00 0.00 -0.57 0.00 0.00 34.95 34.52 3kxp s ARG 15 CO 0.20 -0.10 1.00 1.03 -1.08 0.00 0.00 175.30 176.35 3kxp s ARG 16 N -0.24 4.27 -0.23 3.89 0.52 -1.26 -1.59 118.95 124.31 3kxp s ARG 16 Ca 0.01 1.29 -0.10 0.00 -0.52 0.00 0.00 55.73 56.42 3kxp s ARG 16 Cb -0.03 -3.63 -0.05 0.00 0.52 0.00 0.00 34.95 31.76 3kxp s ARG 16 CO -0.04 -0.57 0.15 0.08 0.02 0.00 0.00 175.30 174.94 3kxp s VAL 17 N 2.97 5.26 -0.44 3.52 1.01 0.17 -4.91 120.40 127.98 3kxp s VAL 17 Ca 0.43 0.15 -0.20 0.00 0.00 0.00 0.00 61.98 62.35 3kxp s VAL 17 Cb -0.15 -3.45 0.03 0.00 0.00 0.00 0.00 36.38 32.81 3kxp s VAL 17 CO 0.08 0.36 0.62 -0.62 0.00 0.00 0.00 175.10 175.54 3kxp s ASP 18 N 0.99 6.30 -0.25 3.32 3.68 -1.26 -1.57 116.67 127.89 3kxp s ASP 18 Ca 0.07 -0.43 0.14 0.00 2.13 0.00 0.00 52.55 54.46 3kxp s ASP 18 Cb -0.13 -2.31 0.77 0.00 -1.45 0.00 0.00 42.92 39.80 3kxp s ASP 18 CO 0.04 -0.77 1.72 2.30 0.13 0.00 0.00 175.17 178.58 3kxp n ILE 19 N 5.79 2.75 0.00 4.11 -5.35 -0.58 -5.00 119.36 121.08 3kxp n ILE 19 Ca -0.03 -1.54 0.00 0.00 -0.27 0.00 0.00 62.75 60.92 3kxp n ILE 19 Cb 0.48 -0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.08 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 0.30 2.06 0.29 3.28 0.00 -1.26 -4.50 105.19 105.36 3kxp n GLY 20 Ca 0.30 -0.35 0.18 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.40 1.61 0.11 -2.00 -3.45 114.38 109.25 3kxp h ARG 21 Ca 0.00 0.00 0.31 0.00 0.10 0.00 0.00 59.98 60.39 3kxp h ARG 21 Cb 0.00 0.00 -0.15 0.00 1.11 0.00 0.00 29.97 30.93 3kxp h ARG 21 CO 0.00 0.00 0.84 -1.50 0.10 0.00 0.00 179.97 179.41 3kxp s ILE 22 N -3.97 0.00 -0.18 0.08 2.07 -1.26 -5.15 121.20 112.78 3kxp s ILE 22 Ca -0.04 -0.12 -0.01 0.00 -1.41 0.00 0.00 60.65 59.07 3kxp s ILE 22 Cb 0.10 -1.62 0.00 0.00 0.13 0.00 0.00 42.46 41.08 3kxp s ILE 22 CO 0.33 0.00 -0.14 -0.89 -1.91 0.00 0.00 174.94 172.33 3kxp s THR 23 N -2.37 2.63 -0.07 4.00 2.01 -1.26 -1.52 115.64 119.06 3kxp s THR 23 Ca 0.13 -0.76 0.02 0.00 0.31 0.00 0.00 61.69 61.39 3kxp s THR 23 Cb 0.03 -2.14 -0.02 0.00 0.01 0.00 0.00 72.50 70.38 3kxp s THR 23 CO -0.04 0.50 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.49 3kxp s LEU 24 N 1.17 2.77 0.24 4.42 1.43 -0.61 -1.42 118.68 126.68 3kxp s LEU 24 Ca 0.02 -0.21 -0.27 0.00 -1.03 0.00 0.00 54.13 52.63 3kxp s LEU 24 Cb -0.14 -1.58 -0.09 0.00 0.03 0.00 0.00 46.19 44.41 3kxp s LEU 24 CO -0.06 0.30 0.89 0.21 0.23 0.00 0.00 176.35 177.92 3kxp s ASN 25 N -0.47 7.46 0.05 2.29 2.47 -1.26 -0.66 114.94 124.82 3kxp s ASN 25 Ca 0.06 1.81 0.01 0.00 0.42 0.00 0.00 52.86 55.15 3kxp s ASN 25 Cb -0.12 -2.56 -0.03 0.00 -1.45 0.00 0.00 41.25 37.09 3kxp s ASN 25 CO 0.02 0.10 -0.05 -0.69 -3.72 0.00 0.00 177.10 172.76 3kxp s VAL 26 N -1.31 0.38 -0.20 -5.21 1.01 -0.62 -1.48 120.40 112.97 3kxp s VAL 26 Ca 0.42 -1.43 0.01 0.00 0.00 0.00 0.00 61.98 60.98 3kxp s VAL 26 Cb -0.23 -1.02 0.02 0.00 0.00 0.00 0.00 36.38 35.16 3kxp s VAL 26 CO 0.28 -0.69 -0.17 -0.13 0.00 0.00 0.00 175.10 174.39 3kxp s ARG 27 N -2.71 2.94 0.14 2.72 0.52 -0.53 -1.34 118.95 120.70 3kxp s ARG 27 Ca -0.02 -0.87 0.08 0.00 -0.52 0.00 0.00 55.73 54.40 3kxp s ARG 27 Cb -0.02 -2.67 -0.04 0.00 0.52 0.00 0.00 34.95 32.74 3kxp s ARG 27 CO -0.04 -0.26 -0.12 -2.00 0.02 0.00 0.00 175.30 172.90 3kxp s GLU 28 N 1.29 2.00 -0.20 3.54 2.12 0.82 -1.78 118.70 126.49 3kxp s GLU 28 Ca 0.03 -1.17 -0.29 0.00 0.36 0.00 0.00 54.97 53.91 3kxp s GLU 28 Cb -0.14 -2.19 0.14 0.00 0.26 0.00 0.00 34.13 32.20 3kxp s GLU 28 CO -0.11 0.47 1.09 0.21 -0.54 0.00 0.00 175.26 176.39 3kxp s LYS 29 N -2.44 0.45 0.15 4.30 2.20 -0.81 -1.54 119.74 122.06 3kxp s LYS 29 Ca 0.22 0.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.99 3kxp s LYS 29 Cb -0.10 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 3kxp s LYS 29 CO 0.13 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.40 3kxp n GLY 30 N 0.87 -2.81 3.16 5.54 0.00 -1.26 -0.44 105.19 110.24 3kxp n GLY 30 Ca -0.08 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.92 -0.07 0.00 1.61 1.04 -1.11 -4.60 113.70 108.64 3kxp s SER 31 Ca 0.00 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.38 3kxp s SER 31 Cb 0.00 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.38 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 1.49 0.46 3.64 7.32 0.00 -1.26 -2.82 105.19 114.01 3kxp n GLY 32 Ca -0.22 -2.23 -0.41 0.00 0.00 0.00 0.00 46.02 43.17 3kxp n GLY 32 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kxp n PRO 33 N 0.00 1.45 -1.17 1.61 -0.02 -1.26 -3.63 135.00 131.98 3kxp n PRO 33 Ca 0.00 0.52 -0.28 0.00 -2.02 0.00 0.00 63.50 61.73 3kxp n PRO 33 Cb 0.00 -2.16 0.22 0.00 -0.02 0.00 0.00 33.50 31.55 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 0.25 0.00 -3.64 2.45 7.94 -1.26 -1.57 117.00 121.16 3kxp n LEU 34 Ca 0.09 -1.15 -0.08 0.00 -1.11 0.00 0.00 56.01 53.76 3kxp n LEU 34 Cb 0.40 -0.94 -0.07 0.00 0.53 0.00 0.00 43.42 43.34 3kxp n LEU 34 CO 0.56 -1.92 0.73 -0.76 -1.11 0.00 0.00 177.39 174.89 3kxp s LEU 36 N 0.00 -0.46 -0.16 -1.96 1.43 0.15 -1.48 118.68 116.19 3kxp s LEU 36 Ca 0.67 0.86 -0.01 0.00 -1.03 0.00 0.00 54.13 54.62 3kxp s LEU 36 Cb -0.05 1.85 -0.01 0.00 0.03 0.00 0.00 46.19 48.01 3kxp s LEU 36 CO 0.51 -0.15 -0.11 -0.36 0.23 0.00 0.00 176.35 176.47 3kxp s PHE 37 N 0.46 2.85 -0.15 0.29 0.40 0.17 -0.78 117.98 121.22 3kxp s PHE 37 Ca 0.01 -0.88 0.02 0.00 -0.60 0.00 0.00 56.93 55.48 3kxp s PHE 37 Cb -0.05 -1.93 0.01 0.00 0.51 0.00 0.00 43.02 41.56 3kxp s PHE 37 CO -0.08 -0.40 -0.21 -0.06 0.70 0.00 0.00 175.22 175.17 3kxp s PHE 38 N 0.84 2.70 0.96 0.36 0.40 -0.24 -1.30 117.98 121.69 3kxp s PHE 38 Ca -0.04 -1.35 -0.14 0.00 -0.60 0.00 0.00 56.93 54.80 3kxp s PHE 38 Cb -0.15 -1.84 0.17 0.00 0.51 0.00 0.00 43.02 41.71 3kxp s PHE 38 CO 0.00 -0.62 1.19 -3.38 0.70 0.00 0.00 175.22 173.11 3kxp s HIS 39 N 0.89 2.00 0.68 0.36 -3.43 -1.26 -0.75 115.29 113.79 3kxp s HIS 39 Ca -0.05 0.64 -0.05 0.00 -0.80 0.00 0.00 55.06 54.80 3kxp s HIS 39 Cb -0.15 -3.61 0.06 0.00 -1.43 0.00 0.00 32.58 27.45 3kxp s HIS 39 CO -0.03 -2.61 0.97 0.20 -2.00 0.00 0.00 174.74 171.27 3kxp s GLY 40 N -4.31 1.73 0.35 -1.38 0.00 -1.14 -1.88 107.32 100.67 3kxp s GLY 40 Ca 0.67 -1.07 -0.28 0.00 0.00 0.00 0.00 44.72 44.04 3kxp s GLY 40 CO 0.53 -0.67 1.43 4.51 0.00 0.00 0.00 173.10 178.90 3kxp n ILE 41 N -2.83 1.80 -0.33 0.90 3.06 -1.26 -2.06 119.36 118.65 3kxp n ILE 41 Ca 0.09 -0.45 0.00 0.00 -2.50 0.00 0.00 62.75 59.89 3kxp n ILE 41 Cb 0.60 -1.80 0.00 0.00 0.54 0.00 0.00 39.64 38.98 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 0.72 0.00 -1.91 9.51 -2.24 -1.26 -4.97 114.28 114.13 3kxp n THR 42 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 3kxp n THR 42 Cb 0.37 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 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 -3.59 3.42 2.88 -0.88 -4.89 113.62 110.56 3kxp n SER 43 Ca 0.00 -0.78 -0.07 0.00 -1.33 0.00 0.00 58.87 56.68 3kxp n SER 43 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 3kxp n SER 43 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3kxp s ASN 44 N -1.00 -0.18 0.41 -3.46 2.20 -1.26 -4.38 114.94 107.27 3kxp s ASN 44 Ca 0.00 -0.75 0.17 0.00 -0.94 0.00 0.00 52.86 51.34 3kxp s ASN 44 Cb 0.00 0.75 1.06 0.00 -2.00 0.00 0.00 41.25 41.06 3kxp s ASN 44 CO 0.00 -1.42 1.85 0.77 -2.94 0.00 0.00 177.10 175.36 3kxp h SER 45 N 2.00 0.43 -0.84 3.54 4.64 -1.90 -2.70 113.55 118.73 3kxp h SER 45 Ca -0.23 0.05 0.20 0.00 -0.47 0.00 0.00 61.79 61.34 3kxp h SER 45 Cb 1.25 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 63.25 3kxp h SER 45 CO 0.28 0.17 0.57 0.00 -0.87 0.00 0.00 176.83 176.98 3kxp h ALA 46 N 1.61 2.36 -0.18 5.18 0.00 -1.95 -1.49 119.26 124.79 3kxp h ALA 46 Ca 0.48 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.45 3kxp h ALA 46 Cb 1.16 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3kxp h ALA 46 CO -0.19 -0.62 0.33 0.28 0.00 0.00 0.00 179.25 179.05 3kxp h VAL 47 N 0.28 0.23 -0.00 0.00 2.07 -1.82 -2.39 116.25 114.61 3kxp h VAL 47 Ca 0.42 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.94 3kxp h VAL 47 Cb 1.22 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3kxp h VAL 47 CO -0.11 0.00 -0.68 0.49 0.02 0.00 0.00 177.57 177.29 3kxp n PHE 48 N -3.38 0.00 -0.30 1.57 3.01 -0.56 -4.53 117.46 113.27 3kxp n PHE 48 Ca 0.02 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.59 3kxp n PHE 48 Cb 0.43 -0.15 0.28 0.00 -0.01 0.00 0.00 39.48 40.03 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 0.06 0.40 -0.94 -1.08 5.08 -1.58 -1.52 114.58 115.00 3kxp h GLU 49 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3kxp h GLU 49 Cb 0.50 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 3kxp h GLU 49 CO 0.00 0.27 0.60 -1.35 -1.00 0.00 0.00 179.01 177.53 3kxp h PRO 50 N 0.42 1.26 -1.39 2.33 0.11 -1.82 -2.53 132.00 130.37 3kxp h PRO 50 Ca 0.52 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.54 3kxp h PRO 50 Cb 0.95 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 31.78 3kxp h PRO 50 CO -0.50 0.85 0.00 -0.11 -0.21 0.00 0.00 178.00 178.03 3kxp n LEU 51 N -4.40 2.84 0.00 2.35 7.94 -0.57 -4.13 117.00 121.02 3kxp n LEU 51 Ca 0.11 -1.37 0.00 0.00 -1.11 0.00 0.00 56.01 53.64 3kxp n LEU 51 Cb 0.03 -0.52 0.00 0.00 0.53 0.00 0.00 43.42 43.46 3kxp n LEU 51 CO 0.37 0.50 0.00 2.30 -1.11 0.00 0.00 177.39 179.45 3kxp n ILE 53 N 0.84 0.00 1.47 1.96 -5.35 -0.95 -3.79 119.36 113.53 3kxp n ILE 53 Ca 0.00 0.00 0.15 0.00 -0.27 0.00 0.00 62.75 62.63 3kxp n ILE 53 Cb 0.40 0.00 0.74 0.00 -1.74 0.00 0.00 39.64 39.04 3kxp n ILE 53 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3kxp n ARG 54 N 0.00 0.53 0.00 6.28 5.12 -1.26 -3.58 116.66 123.75 3kxp n ARG 54 Ca 0.00 -0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 3kxp n ARG 54 Cb 0.00 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.80 3kxp n ARG 54 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3kxp n LEU 55 N -1.18 0.46 -0.17 0.55 4.77 -1.25 -4.82 117.00 115.35 3kxp n LEU 55 Ca 0.15 -0.50 -0.04 0.00 -0.03 0.00 0.00 56.01 55.59 3kxp n LEU 55 Cb 0.24 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.38 3kxp n LEU 55 CO 0.23 0.11 1.02 0.28 -1.33 0.00 0.00 177.39 177.71 3kxp h SER 56 N 0.00 0.37 -0.08 -1.43 0.02 -1.75 0.14 113.55 110.83 3kxp h SER 56 Ca 0.00 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.00 3kxp h SER 56 Cb 0.20 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 3kxp h SER 56 CO 0.00 0.26 0.11 -2.24 -1.14 0.00 0.00 176.83 173.81 3kxp h ASP 57 N 0.51 0.00 0.00 3.07 3.04 -1.88 -2.95 116.42 118.20 3kxp h ASP 57 Ca 0.23 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.02 3kxp h ASP 57 Cb 0.14 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.43 3kxp h ASP 57 CO -0.16 0.00 -1.39 0.54 -2.04 0.00 0.00 179.24 176.19 3kxp n ARG 58 N -3.68 0.28 -4.20 4.15 1.74 -0.97 -4.78 116.66 109.20 3kxp n ARG 58 Ca -0.01 -0.08 -0.12 0.00 -0.77 0.00 0.00 57.85 56.87 3kxp n ARG 58 Cb 0.20 -1.20 -0.10 0.00 -1.02 0.00 0.00 32.46 30.34 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 -2.60 1.02 -0.79 -1.55 0.40 0.46 -4.14 117.98 110.78 3kxp s PHE 59 Ca -0.03 -0.86 -0.20 0.00 -0.60 0.00 0.00 56.93 55.24 3kxp s PHE 59 Cb 0.06 -0.56 0.11 0.00 0.51 0.00 0.00 43.02 43.13 3kxp s PHE 59 CO 0.36 -0.07 1.01 0.99 0.70 0.00 0.00 175.22 178.21 3kxp s THR 60 N -3.52 4.62 -0.16 0.64 2.01 -0.61 -2.76 115.64 115.86 3kxp s THR 60 Ca 0.14 -1.11 -0.27 0.00 0.31 0.00 0.00 61.69 60.76 3kxp s THR 60 Cb 0.04 -4.70 -0.01 0.00 0.01 0.00 0.00 72.50 67.84 3kxp s THR 60 CO -0.03 -1.43 0.91 0.42 -0.69 0.00 0.00 174.62 173.80 3kxp s THR 61 N 3.10 4.82 -0.18 -0.82 -4.23 0.42 -4.49 115.64 114.26 3kxp s THR 61 Ca 0.26 1.80 -0.02 0.00 -1.18 0.00 0.00 61.69 62.55 3kxp s THR 61 Cb -0.12 -4.21 0.05 0.00 1.34 0.00 0.00 72.50 69.57 3kxp s THR 61 CO -0.01 -0.01 0.01 -0.63 -0.54 0.00 0.00 174.62 173.43 3kxp s ILE 62 N 2.30 0.72 -0.13 2.99 1.01 -1.26 -1.92 121.20 124.91 3kxp s ILE 62 Ca 0.42 -0.55 -0.15 0.00 0.00 0.00 0.00 60.65 60.36 3kxp s ILE 62 Cb -0.17 -1.09 -0.05 0.00 0.01 0.00 0.00 42.46 41.16 3kxp s ILE 62 CO 0.13 -0.07 0.36 0.00 0.00 0.00 0.00 174.94 175.35 3kxp s ALA 63 N 1.78 3.56 -0.14 9.38 0.00 -0.74 -0.65 121.76 134.96 3kxp s ALA 63 Ca -0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 3kxp s ALA 63 Cb -0.16 -2.47 -0.02 0.00 0.00 0.00 0.00 23.12 20.47 3kxp s ALA 63 CO -0.07 0.10 -0.11 0.08 0.00 0.00 0.00 175.76 175.76 3kxp s VAL 64 N 0.38 3.19 -0.40 0.00 1.01 -0.42 -1.45 120.40 122.71 3kxp s VAL 64 Ca 0.20 -0.61 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 3kxp s VAL 64 Cb -0.14 -2.36 0.02 0.00 0.00 0.00 0.00 36.38 33.90 3kxp s VAL 64 CO 0.07 0.51 1.08 -1.81 0.00 0.00 0.00 175.10 174.95 3kxp s ASP 65 N 0.45 6.77 0.63 3.32 -0.00 -0.55 -4.32 116.67 122.98 3kxp s ASP 65 Ca -0.08 0.73 -0.11 0.00 -0.00 0.00 0.00 52.55 53.09 3kxp s ASP 65 Cb -0.15 -2.54 -0.03 0.00 -0.00 0.00 0.00 42.92 40.20 3kxp s ASP 65 CO 0.04 -1.04 1.04 -1.10 -0.00 0.00 0.00 175.17 174.11 3kxp s GLN 66 N 3.98 3.45 0.25 8.23 -0.21 -1.26 -4.15 119.66 129.95 3kxp s GLN 66 Ca 0.46 0.81 -0.27 0.00 0.02 0.00 0.00 55.36 56.38 3kxp s GLN 66 Cb -0.10 -2.06 -0.16 0.00 1.00 0.00 0.00 33.01 31.69 3kxp s GLN 66 CO 0.23 -0.69 0.63 2.89 -2.12 0.00 0.00 175.29 176.23 3kxp n ARG 67 N -2.79 0.40 0.00 2.91 1.85 -1.26 -0.84 116.66 116.94 3kxp n ARG 67 Ca 0.06 0.14 0.00 0.00 -1.00 0.00 0.00 57.85 57.06 3kxp n ARG 67 Cb 0.54 -1.26 0.00 0.00 -1.05 0.00 0.00 32.46 30.69 3kxp n ARG 67 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kxp n GLY 68 N 1.79 2.98 3.70 2.89 0.00 -0.60 -4.99 105.19 110.96 3kxp n GLY 68 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 3kxp n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kxp s HIS 69 N -2.50 2.63 0.00 1.61 3.76 -0.02 -1.54 115.29 119.23 3kxp s HIS 69 Ca 0.00 -0.46 0.00 0.00 -0.15 0.00 0.00 55.06 54.45 3kxp s HIS 69 Cb 0.00 -1.68 0.00 0.00 1.11 0.00 0.00 32.58 32.01 3kxp s HIS 69 CO 0.00 0.34 0.00 0.41 -0.85 0.00 0.00 174.74 174.64 3kxp n GLY 70 N -1.11 2.43 1.61 -2.22 0.00 -1.26 -1.79 105.19 102.85 3kxp n GLY 70 Ca -0.03 -0.03 0.07 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 4.81 -4.92 0.99 4.77 -1.26 -4.67 117.00 116.71 3kxp n LEU 71 Ca 0.00 -2.43 -0.26 0.00 -0.03 0.00 0.00 56.01 53.28 3kxp n LEU 71 Cb 0.00 -0.61 0.04 0.00 -2.33 0.00 0.00 43.42 40.52 3kxp n LEU 71 CO 0.00 0.67 0.54 -0.44 -1.33 0.00 0.00 177.39 176.83 3kxp s SER 72 N -0.78 5.44 0.89 -1.43 0.01 -0.74 -4.35 113.70 112.74 3kxp s SER 72 Ca 0.48 0.64 -0.11 0.00 1.31 0.00 0.00 55.95 58.28 3kxp s SER 72 Cb 0.34 -1.57 0.13 0.00 0.21 0.00 0.00 66.02 65.13 3kxp s SER 72 CO 0.19 -1.16 1.16 -1.81 0.41 0.00 0.00 173.24 172.02 3kxp s ASP 73 N -4.35 3.05 -0.41 2.44 1.01 -0.51 -4.65 116.67 113.26 3kxp s ASP 73 Ca 0.55 2.22 0.06 0.00 0.71 0.00 0.00 52.55 56.09 3kxp s ASP 73 Cb -0.11 -2.57 0.20 0.00 1.01 0.00 0.00 42.92 41.46 3kxp s ASP 73 CO 0.45 -3.02 0.45 0.29 0.21 0.00 0.00 175.17 173.55 3kxp n LYS 74 N -4.05 0.42 -0.62 8.23 5.02 -1.26 -1.55 118.16 124.34 3kxp n LYS 74 Ca 0.12 -3.06 -0.31 0.00 -2.02 0.00 0.00 58.31 53.04 3kxp n LYS 74 Cb 0.52 -1.48 0.19 0.00 -0.02 0.00 0.00 35.03 34.24 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 2.27 -1.53 0.13 1.97 -0.04 -1.26 -4.89 135.00 131.64 3kxp n PRO 75 Ca 0.25 -0.41 -0.01 0.00 -0.04 0.00 0.00 63.50 63.29 3kxp n PRO 75 Cb 0.51 -1.99 0.15 0.00 -0.04 0.00 0.00 33.50 32.13 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 -2.19 0.00 -4.62 0.54 4.81 -2.01 -3.46 114.58 107.66 3kxp h GLU 76 Ca -0.53 0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 58.32 3kxp h GLU 76 Cb 1.32 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.59 3kxp h GLU 76 CO 0.42 0.63 -0.42 -0.08 -0.73 0.00 0.00 179.01 178.83 3kxp s THR 77 N -3.49 0.00 0.00 0.32 -1.32 -1.26 -4.82 115.64 105.07 3kxp s THR 77 Ca -0.01 -1.88 0.00 0.00 -1.21 0.00 0.00 61.69 58.60 3kxp s THR 77 Cb 0.12 -2.53 0.00 0.00 -1.51 0.00 0.00 72.50 68.58 3kxp s THR 77 CO 0.76 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.78 3kxp n GLY 78 N -0.55 0.41 2.14 6.08 0.00 -1.26 -5.05 105.19 106.96 3kxp n GLY 78 Ca 0.05 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.63 1.48 -2.86 1.61 4.02 -1.26 -4.82 117.16 114.70 3kxp n TYR 79 Ca 0.00 -1.89 -0.22 0.00 -0.01 0.00 0.00 57.90 55.78 3kxp n TYR 79 Cb 0.28 -0.26 0.02 0.00 -0.02 0.00 0.00 39.34 39.36 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 -3.18 2.87 0.23 -0.72 0.41 -1.26 -4.29 118.70 112.77 3kxp s GLU 80 Ca 0.37 -0.60 -0.08 0.00 -0.41 0.00 0.00 54.97 54.25 3kxp s GLU 80 Cb 0.37 -2.53 0.38 0.00 -1.78 0.00 0.00 34.13 30.56 3kxp s GLU 80 CO -0.03 -0.43 1.65 0.00 -0.49 0.00 0.00 175.26 175.95 3kxp h ALA 81 N 0.28 0.72 -0.48 5.21 0.00 -1.97 0.10 119.26 123.12 3kxp h ALA 81 Ca -0.45 0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3kxp h ALA 81 Cb 1.27 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 3kxp h ALA 81 CO 0.55 -0.41 0.15 -0.91 0.00 0.00 0.00 179.25 178.64 3kxp h ASN 82 N 0.12 0.64 -0.52 0.00 -0.26 -1.98 0.18 115.58 113.76 3kxp h ASN 82 Ca 0.38 -0.09 -0.02 0.00 -0.56 0.00 0.00 56.30 56.00 3kxp h ASN 82 Cb 0.64 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.71 3kxp h ASN 82 CO -0.60 0.62 0.23 0.44 -1.06 0.00 0.00 177.43 177.05 3kxp h ASP 83 N 0.69 0.70 -0.29 5.81 3.32 -1.34 0.06 116.42 125.37 3kxp h ASP 83 Ca 0.16 -0.15 -0.17 0.00 0.02 0.00 0.00 57.03 56.89 3kxp h ASP 83 Cb 0.21 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 3kxp h ASP 83 CO -0.01 0.66 -0.48 1.88 -1.72 0.00 0.00 179.24 179.57 3kxp h TYR 84 N 0.70 1.06 -0.60 4.55 -1.99 -0.88 -3.05 116.97 116.77 3kxp h TYR 84 Ca 0.18 -0.35 -0.10 0.00 2.00 0.00 0.00 58.73 60.45 3kxp h TYR 84 Cb 0.16 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 38.66 3kxp h TYR 84 CO 0.00 1.17 -0.03 0.00 -0.00 0.00 0.00 178.16 179.30 3kxp h ALA 85 N 0.76 0.82 0.00 3.88 0.00 -0.43 -2.71 119.26 121.59 3kxp h ALA 85 Ca 0.03 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 3kxp h ALA 85 Cb 1.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3kxp h ALA 85 CO 0.11 0.67 -0.25 -0.44 0.00 0.00 0.00 179.25 179.34 3kxp h ASP 86 N 0.97 0.00 -0.34 0.00 3.32 -1.02 -1.90 116.42 117.44 3kxp h ASP 86 Ca 0.17 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 3kxp h ASP 86 Cb 0.59 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3kxp h ASP 86 CO 0.04 0.25 -0.02 0.44 -1.72 0.00 0.00 179.24 178.23 3kxp h ASP 87 N 0.00 0.61 -0.10 6.45 3.45 -1.37 -1.19 116.42 124.27 3kxp h ASP 87 Ca -0.00 -0.32 0.00 0.00 0.43 0.00 0.00 57.03 57.14 3kxp h ASP 87 Cb 0.53 -0.17 -0.00 0.00 -0.56 0.00 0.00 39.33 39.13 3kxp h ASP 87 CO 0.03 0.79 0.06 0.40 -1.57 0.00 0.00 179.24 178.95 3kxp h ILE 88 N 0.42 1.03 -0.62 0.35 2.04 -1.18 -0.48 117.51 119.07 3kxp h ILE 88 Ca 0.10 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 65.94 3kxp h ILE 88 Cb 0.48 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 3kxp h ILE 88 CO 0.02 0.03 0.33 0.00 0.00 0.00 0.00 178.15 178.53 3kxp h ALA 89 N 1.02 0.83 -0.60 1.87 0.00 -1.21 -1.66 119.26 119.51 3kxp h ALA 89 Ca 0.04 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3kxp h ALA 89 Cb -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3kxp h ALA 89 CO -0.01 -0.00 0.06 0.78 0.00 0.00 0.00 179.25 180.08 3kxp h GLY 90 N 0.62 1.10 1.25 0.00 0.00 -0.91 -2.42 103.07 102.71 3kxp h GLY 90 Ca 0.28 -0.76 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 3kxp h GLY 90 CO -0.18 0.70 0.35 -2.00 0.00 0.00 0.00 176.54 175.41 3kxp h LEU 91 N 0.92 0.88 -0.34 3.11 6.46 -0.63 -0.50 115.31 125.20 3kxp h LEU 91 Ca 0.18 -0.08 -0.05 0.00 -0.12 0.00 0.00 57.88 57.80 3kxp h LEU 91 Cb 0.47 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.17 3kxp h LEU 91 CO 0.02 0.73 0.02 0.40 -0.62 0.00 0.00 178.44 178.98 3kxp h ILE 92 N 0.98 1.25 -0.42 4.05 2.04 -1.02 0.52 117.51 124.91 3kxp h ILE 92 Ca 0.24 -0.93 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 3kxp h ILE 92 Cb 0.07 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 3kxp h ILE 92 CO -0.04 0.31 0.11 0.03 0.00 0.00 0.00 178.15 178.56 3kxp h ARG 93 N 0.40 0.67 -0.43 2.37 3.08 -1.08 -2.47 114.38 116.92 3kxp h ARG 93 Ca 0.10 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 3kxp h ARG 93 Cb 0.42 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 3kxp h ARG 93 CO 0.01 0.68 -0.01 1.15 -1.07 0.00 0.00 179.97 180.73 3kxp h THR 94 N 0.54 1.23 0.00 2.04 2.02 -0.98 -2.44 112.91 115.32 3kxp h THR 94 Ca 0.13 -0.96 -0.08 0.00 0.77 0.00 0.00 66.41 66.27 3kxp h THR 94 Cb 0.30 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 3kxp h THR 94 CO 0.00 0.33 -0.39 -0.07 0.37 0.00 0.00 175.52 175.77 3kxp h LEU 95 N 0.66 0.00 -3.45 2.58 3.38 -0.74 -3.48 115.31 114.26 3kxp h LEU 95 Ca 0.13 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.70 3kxp h LEU 95 Cb 0.43 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.19 3kxp h LEU 95 CO 0.02 0.39 -0.86 0.00 0.09 0.00 0.00 178.44 178.07 3kxp n ALA 96 N -2.41 -2.71 -2.05 1.53 0.00 -0.92 -4.91 120.51 109.04 3kxp n ALA 96 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3kxp n ALA 96 Cb 0.44 -1.42 -0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 -2.88 0.00 0.00 0.00 1.74 -1.26 -5.14 116.66 109.12 3kxp n ARG 97 Ca -0.21 -0.88 0.00 0.00 -0.77 0.00 0.00 57.85 55.98 3kxp n ARG 97 Cb 0.63 -0.31 0.00 0.00 -1.02 0.00 0.00 32.46 31.76 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 0.05 -0.14 3.57 -0.13 0.00 -1.26 -4.54 105.19 102.73 3kxp n GLY 98 Ca -0.00 -1.83 -0.35 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.10 0.12 -4.39 1.61 1.44 -1.26 -4.88 115.22 107.77 3kxp n HIS 99 Ca 0.00 0.36 -0.29 0.00 -2.01 0.00 0.00 57.72 55.78 3kxp n HIS 99 Cb 0.00 -2.00 -0.13 0.00 0.12 0.00 0.00 29.99 27.98 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 -2.03 2.37 -0.18 1.59 0.00 -0.02 -4.44 121.76 119.07 3kxp s ALA 100 Ca 0.69 -1.48 -0.21 0.00 0.00 0.00 0.00 51.96 50.96 3kxp s ALA 100 Cb -0.31 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 3kxp s ALA 100 CO 0.55 0.53 0.62 0.42 0.00 0.00 0.00 175.76 177.88 3kxp s ILE 101 N -1.10 5.04 -0.25 0.00 1.01 -0.55 -1.28 121.20 124.07 3kxp s ILE 101 Ca 0.14 1.19 -0.10 0.00 0.00 0.00 0.00 60.65 61.88 3kxp s ILE 101 Cb -0.10 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.38 3kxp s ILE 101 CO 0.06 0.14 0.15 -0.76 0.00 0.00 0.00 174.94 174.54 3kxp s LEU 102 N 1.68 3.97 -0.38 2.97 1.02 0.10 -0.68 118.68 127.37 3kxp s LEU 102 Ca 0.29 0.02 0.02 0.00 0.02 0.00 0.00 54.13 54.49 3kxp s LEU 102 Cb -0.16 -2.08 0.11 0.00 0.02 0.00 0.00 46.19 44.08 3kxp s LEU 102 CO 0.11 0.02 0.12 -0.69 0.02 0.00 0.00 176.35 175.93 3kxp s VAL 103 N 1.33 2.59 0.06 -1.59 1.01 0.04 0.67 120.40 124.51 3kxp s VAL 103 Ca 0.07 -2.37 0.09 0.00 0.00 0.00 0.00 61.98 59.76 3kxp s VAL 103 Cb -0.15 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 3kxp s VAL 103 CO 0.06 -0.65 -0.23 -0.83 0.00 0.00 0.00 175.10 173.46 3kxp s GLY 104 N 1.03 1.52 -0.22 4.51 0.00 -0.71 -1.08 107.32 112.37 3kxp s GLY 104 Ca 0.11 -1.27 -0.03 0.00 0.00 0.00 0.00 44.72 43.52 3kxp s GLY 104 CO -0.06 -1.18 -0.05 -1.58 0.00 0.00 0.00 173.10 170.23 3kxp s HIS 105 N -0.91 2.95 0.00 1.90 2.46 0.07 0.07 115.29 121.83 3kxp s HIS 105 Ca 0.14 -1.02 0.00 0.00 0.47 0.00 0.00 55.06 54.64 3kxp s HIS 105 Cb -0.10 -2.09 0.00 0.00 -0.13 0.00 0.00 32.58 30.26 3kxp s HIS 105 CO 0.04 -0.58 0.00 0.45 -2.47 0.00 0.00 174.74 172.19 3kxp n SER 106 N 4.78 0.00 -0.26 9.88 2.88 0.66 -1.22 113.62 130.35 3kxp n SER 106 Ca -0.18 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.42 3kxp n SER 106 Cb 0.50 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.15 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 -0.14 -0.89 2.46 5.85 -1.90 0.12 115.31 120.81 3kxp h LEU 107 Ca 0.00 0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 3kxp h LEU 107 Cb 0.00 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3kxp h LEU 107 CO 0.00 -0.12 0.20 1.23 -0.34 0.00 0.00 178.44 179.41 3kxp h GLY 108 N 0.19 1.10 0.93 3.75 0.00 -0.43 -1.16 103.07 107.44 3kxp h GLY 108 Ca 0.44 -0.63 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 3kxp h GLY 108 CO -0.60 0.59 0.05 0.00 0.00 0.00 0.00 176.54 176.58 3kxp h ALA 109 N 1.23 0.51 -0.39 3.60 0.00 -0.90 -0.50 119.26 122.81 3kxp h ALA 109 Ca 0.22 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3kxp h ALA 109 Cb 0.29 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3kxp h ALA 109 CO -0.01 0.23 0.22 -0.09 0.00 0.00 0.00 179.25 179.60 3kxp h ARG 110 N 0.48 0.43 -0.41 0.00 1.12 -0.64 -1.98 114.38 113.38 3kxp h ARG 110 Ca 0.11 -0.03 -0.10 0.00 -1.11 0.00 0.00 59.98 58.85 3kxp h ARG 110 Cb 0.39 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 30.23 3kxp h ARG 110 CO 0.01 0.29 -0.16 -0.91 -3.11 0.00 0.00 179.97 176.08 3kxp h ASN 111 N 0.45 0.77 -0.06 -3.80 2.35 -1.04 -2.76 115.58 111.48 3kxp h ASN 111 Ca 0.16 -0.25 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 3kxp h ASN 111 Cb 0.03 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 3kxp h ASN 111 CO -0.09 0.94 0.03 0.28 -1.65 0.00 0.00 177.43 176.94 3kxp h SER 112 N 0.69 0.08 -0.51 5.81 0.02 -0.70 0.13 113.55 119.06 3kxp h SER 112 Ca 0.11 -0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 60.84 3kxp h SER 112 Cb 0.66 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 3kxp h SER 112 CO 0.05 0.18 -0.01 0.58 -1.14 0.00 0.00 176.83 176.48 3kxp h VAL 113 N -0.03 1.26 -0.44 2.27 2.07 -1.42 0.51 116.25 120.47 3kxp h VAL 113 Ca 0.02 -1.12 0.03 0.00 0.82 0.00 0.00 66.70 66.45 3kxp h VAL 113 Cb 0.12 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3kxp h VAL 113 CO -0.00 0.40 0.24 0.74 0.02 0.00 0.00 177.57 178.97 3kxp h THR 114 N 0.88 1.01 -0.66 2.57 2.02 -1.31 -0.25 112.91 117.17 3kxp h THR 114 Ca 0.16 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 3kxp h THR 114 Cb 0.53 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 3kxp h THR 114 CO 0.03 0.09 0.16 0.00 0.37 0.00 0.00 175.52 176.17 3kxp h ALA 115 N 1.21 0.87 -0.31 6.16 0.00 -0.26 -2.27 119.26 124.65 3kxp h ALA 115 Ca 0.18 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3kxp h ALA 115 Cb 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3kxp h ALA 115 CO -0.10 0.59 -0.21 0.00 0.00 0.00 0.00 179.25 179.53 3kxp h ALA 116 N 1.06 1.06 -0.23 0.00 0.00 -0.43 0.33 119.26 121.05 3kxp h ALA 116 Ca 0.21 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 3kxp h ALA 116 Cb 0.37 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3kxp h ALA 116 CO 0.00 0.57 -0.50 0.00 0.00 0.00 0.00 179.25 179.32 3kxp h ALA 117 N 1.25 0.68 0.13 0.00 0.00 -0.90 -3.03 119.26 117.39 3kxp h ALA 117 Ca 0.08 -0.49 -0.32 0.00 0.00 0.00 0.00 54.91 54.18 3kxp h ALA 117 Cb 0.64 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3kxp h ALA 117 CO 0.05 0.68 -1.64 -0.22 0.00 0.00 0.00 179.25 178.11 3kxp h LYS 118 N 0.51 0.28 -2.23 0.00 3.64 -1.20 -3.41 116.57 114.16 3kxp h LYS 118 Ca 0.02 -0.48 -0.59 0.00 -1.27 0.00 0.00 60.65 58.33 3kxp h LYS 118 Cb 1.05 0.18 -0.42 0.00 -0.41 0.00 0.00 32.23 32.63 3kxp h LYS 118 CO 0.10 1.15 -0.64 0.66 -2.27 0.00 0.00 179.45 178.46 3kxp n TYR 119 N -3.48 3.71 -0.20 1.91 4.02 0.11 -4.95 117.16 118.30 3kxp n TYR 119 Ca -0.20 -4.06 -0.01 0.00 -0.01 0.00 0.00 57.90 53.61 3kxp n TYR 119 Cb 1.05 -0.52 0.05 0.00 -0.02 0.00 0.00 39.34 39.91 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 3.56 -0.00 -0.03 -0.72 0.13 -1.74 -1.56 132.00 131.64 3kxp h PRO 120 Ca 0.16 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.30 3kxp h PRO 120 Cb 0.59 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.72 3kxp h PRO 120 CO 0.82 -0.00 0.05 -0.44 -0.23 0.00 0.00 178.00 178.19 3kxp h ASP 121 N -0.00 0.00 0.57 1.44 3.45 -1.92 -1.78 116.42 118.17 3kxp h ASP 121 Ca 0.29 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.75 3kxp h ASP 121 Cb 0.44 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.21 3kxp h ASP 121 CO -0.61 0.00 -0.71 0.18 -1.57 0.00 0.00 179.24 176.52 3kxp n LEU 122 N -3.50 0.61 -4.17 1.55 4.77 -0.60 -4.63 117.00 111.04 3kxp n LEU 122 Ca -0.02 0.04 -0.34 0.00 -0.03 0.00 0.00 56.01 55.66 3kxp n LEU 122 Cb 0.13 -0.17 -0.15 0.00 -2.33 0.00 0.00 43.42 40.89 3kxp n LEU 122 CO 0.24 0.05 -0.47 -0.69 -1.33 0.00 0.00 177.39 175.19 3kxp s VAL 123 N -3.11 2.48 -0.02 4.08 1.01 -0.67 -0.84 120.40 123.33 3kxp s VAL 123 Ca 0.07 -0.93 -0.25 0.00 0.00 0.00 0.00 61.98 60.87 3kxp s VAL 123 Cb 0.15 -2.14 -0.19 0.00 0.00 0.00 0.00 36.38 34.20 3kxp s VAL 123 CO 0.74 0.40 1.23 -0.09 0.00 0.00 0.00 175.10 177.38 3kxp h ARG 124 N 7.97 -0.06 -2.41 2.72 2.43 -1.44 -3.46 114.38 120.13 3kxp h ARG 124 Ca -0.40 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 58.91 3kxp h ARG 124 Cb 1.13 0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 30.59 3kxp h ARG 124 CO 0.60 0.40 0.45 -1.54 -1.51 0.00 0.00 179.97 178.38 3kxp s SER 125 N -5.60 -0.25 -0.00 -3.80 1.04 -1.25 -4.28 113.70 99.55 3kxp s SER 125 Ca -0.15 -0.29 0.03 0.00 0.48 0.00 0.00 55.95 56.02 3kxp s SER 125 Cb 0.02 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.61 3kxp s SER 125 CO 0.64 -0.86 -0.11 -0.69 0.98 0.00 0.00 173.24 173.20 3kxp s VAL 126 N -3.31 0.86 -0.42 5.02 1.01 0.12 0.00 120.40 123.67 3kxp s VAL 126 Ca 0.10 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 3kxp s VAL 126 Cb -0.02 -0.72 0.12 0.00 0.00 0.00 0.00 36.38 35.76 3kxp s VAL 126 CO -0.01 0.21 0.19 -0.69 0.00 0.00 0.00 175.10 174.80 3kxp s VAL 127 N -0.31 2.97 -0.60 2.92 1.01 0.21 -0.30 120.40 126.31 3kxp s VAL 127 Ca 0.04 -2.37 -0.23 0.00 0.00 0.00 0.00 61.98 59.42 3kxp s VAL 127 Cb -0.04 -3.06 0.06 0.00 0.00 0.00 0.00 36.38 33.33 3kxp s VAL 127 CO -0.00 -0.70 0.92 0.00 0.00 0.00 0.00 175.10 175.32 3kxp s ALA 128 N 0.79 3.16 -0.53 5.51 0.00 -0.45 -1.74 121.76 128.50 3kxp s ALA 128 Ca 0.11 -1.58 -0.21 0.00 0.00 0.00 0.00 51.96 50.28 3kxp s ALA 128 Cb -0.22 -3.75 0.05 0.00 0.00 0.00 0.00 23.12 19.21 3kxp s ALA 128 CO -0.05 -2.52 0.77 0.42 0.00 0.00 0.00 175.76 174.38 3kxp s ILE 129 N 3.85 4.65 -1.10 0.00 1.01 0.11 -1.66 121.20 128.07 3kxp s ILE 129 Ca 0.25 -0.19 -0.07 0.00 0.00 0.00 0.00 60.65 60.63 3kxp s ILE 129 Cb -0.15 -4.42 -0.05 0.00 0.01 0.00 0.00 42.46 37.85 3kxp s ILE 129 CO 0.14 -0.97 0.89 -0.67 0.00 0.00 0.00 174.94 174.34 3kxp n ASP 130 N 6.77 -5.46 -3.15 3.58 2.03 0.11 -0.24 116.55 120.18 3kxp n ASP 130 Ca -0.03 -0.76 0.05 0.00 0.52 0.00 0.00 54.79 54.57 3kxp n ASP 130 Cb 0.46 -4.82 -0.01 0.00 -0.72 0.00 0.00 41.12 36.03 3kxp n ASP 130 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3kxp s PHE 131 N -3.42 -1.04 0.47 -0.67 2.19 -1.26 -4.11 117.98 110.14 3kxp s PHE 131 Ca 0.37 0.78 0.02 0.00 0.33 0.00 0.00 56.93 58.44 3kxp s PHE 131 Cb -0.07 0.24 -0.02 0.00 -1.31 0.00 0.00 43.02 41.87 3kxp s PHE 131 CO 0.76 -0.60 0.05 0.95 1.83 0.00 0.00 175.22 178.22 3kxp s THR 132 N 2.91 0.92 0.96 0.12 -4.23 -1.26 -4.61 115.64 110.44 3kxp s THR 132 Ca 0.15 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.50 3kxp s THR 132 Cb -0.08 -2.22 0.23 0.00 1.34 0.00 0.00 72.50 71.77 3kxp s THR 132 CO -0.21 0.00 1.13 -2.65 -0.54 0.00 0.00 174.62 172.36 3kxp n PRO 133 N -1.14 -1.73 -1.31 3.99 -0.02 -1.26 -4.17 135.00 129.36 3kxp n PRO 133 Ca -0.14 -1.77 -0.11 0.00 -2.02 0.00 0.00 63.50 59.46 3kxp n PRO 133 Cb 0.66 -1.31 -0.05 0.00 -0.02 0.00 0.00 33.50 32.78 3kxp n PRO 133 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3kxp n TYR 134 N -3.97 0.00 -2.08 6.00 4.02 -1.26 -4.81 117.16 115.06 3kxp n TYR 134 Ca 0.15 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.61 3kxp n TYR 134 Cb 0.52 -2.39 -0.03 0.00 -0.02 0.00 0.00 39.34 37.43 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 -2.11 3.45 0.50 -0.72 1.01 -1.26 -4.69 121.20 117.37 3kxp s ILE 135 Ca 0.00 0.80 -0.23 0.00 0.00 0.00 0.00 60.65 61.22 3kxp s ILE 135 Cb 0.00 -3.52 -0.06 0.00 0.01 0.00 0.00 42.46 38.89 3kxp s ILE 135 CO 0.00 -0.02 1.38 -1.83 0.00 0.00 0.00 174.94 174.48 3kxp s GLU 136 N 2.83 3.40 0.24 2.79 1.03 -1.26 -4.89 118.70 122.83 3kxp s GLU 136 Ca 0.69 2.31 -0.05 0.00 0.03 0.00 0.00 54.97 57.95 3kxp s GLU 136 Cb -0.35 -2.44 0.45 0.00 -0.80 0.00 0.00 34.13 31.00 3kxp s GLU 136 CO 0.29 -1.01 1.71 1.15 -1.33 0.00 0.00 175.26 176.07 3kxp h THR 137 N 1.84 0.60 -0.18 1.83 2.02 -2.00 -2.31 112.91 114.71 3kxp h THR 137 Ca -0.51 -0.12 0.04 0.00 0.77 0.00 0.00 66.41 66.59 3kxp h THR 137 Cb 1.28 0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 3kxp h THR 137 CO 0.59 0.07 -0.09 -0.33 0.37 0.00 0.00 175.52 176.12 3kxp h GLU 138 N 0.36 -0.08 -0.92 6.66 3.07 -1.99 0.82 114.58 122.51 3kxp h GLU 138 Ca 0.41 0.01 0.12 0.00 -0.50 0.00 0.00 59.36 59.40 3kxp h GLU 138 Cb 0.65 0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 28.50 3kxp h GLU 138 CO -0.44 -0.05 0.55 0.00 -1.40 0.00 0.00 179.01 177.66 3kxp h ALA 139 N 1.07 1.39 -0.08 3.43 0.00 -1.75 0.79 119.26 124.11 3kxp h ALA 139 Ca 0.10 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 3kxp h ALA 139 Cb 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3kxp h ALA 139 CO -0.23 0.11 -0.52 -0.07 0.00 0.00 0.00 179.25 178.53 3kxp h LEU 140 N 0.85 0.25 -0.42 0.00 3.38 -1.13 -1.94 115.31 116.30 3kxp h LEU 140 Ca 0.47 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.25 3kxp h LEU 140 Cb 0.52 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3kxp h LEU 140 CO -0.29 0.73 0.02 0.44 0.09 0.00 0.00 178.44 179.43 3kxp h ASP 141 N 0.18 0.72 -0.40 -0.43 3.32 0.11 -1.42 116.42 118.50 3kxp h ASP 141 Ca 0.00 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3kxp h ASP 141 Cb 0.99 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 3kxp h ASP 141 CO 0.08 0.84 0.26 0.00 -1.72 0.00 0.00 179.24 178.70 3kxp h ALA 142 N 0.91 0.51 0.20 3.45 0.00 -0.76 -1.78 119.26 121.78 3kxp h ALA 142 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kxp h ALA 142 Cb 0.46 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3kxp h ALA 142 CO 0.02 -0.03 -0.18 1.25 0.00 0.00 0.00 179.25 180.31 3kxp h LEU 143 N 0.54 -0.47 -1.01 0.00 5.85 -1.17 -2.44 115.31 116.60 3kxp h LEU 143 Ca 0.15 0.04 0.15 0.00 0.84 0.00 0.00 57.88 59.05 3kxp h LEU 143 Cb -0.05 0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.04 3kxp h LEU 143 CO -0.03 -0.27 0.63 -0.08 -0.34 0.00 0.00 178.44 178.34 3kxp h GLU 144 N -0.40 0.88 -0.26 1.25 4.81 -1.06 -0.21 114.58 119.59 3kxp h GLU 144 Ca -0.00 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 3kxp h GLU 144 Cb 0.37 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3kxp h GLU 144 CO -0.03 0.58 0.03 0.00 -0.73 0.00 0.00 179.01 178.86 3kxp h ALA 145 N 1.58 0.35 -0.27 2.92 0.00 -1.04 -1.91 119.26 120.89 3kxp h ALA 145 Ca 0.53 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 3kxp h ALA 145 Cb 0.65 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3kxp h ALA 145 CO -0.31 0.06 0.08 0.00 0.00 0.00 0.00 179.25 179.07 3kxp h ARG 146 N 0.25 0.42 0.08 0.00 3.08 -0.93 -2.41 114.38 114.87 3kxp h ARG 146 Ca 0.08 -0.09 0.02 0.00 0.07 0.00 0.00 59.98 60.06 3kxp h ARG 146 Cb 0.37 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.31 3kxp h ARG 146 CO 0.01 0.50 -0.44 0.28 -1.07 0.00 0.00 179.97 179.25 3kxp h VAL 147 N 0.27 0.13 0.00 2.04 2.07 -0.98 -2.16 116.25 117.62 3kxp h VAL 147 Ca 0.09 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.56 3kxp h VAL 147 Cb 0.25 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3kxp h VAL 147 CO -0.00 0.00 -0.20 0.78 0.02 0.00 0.00 177.57 178.17 3kxp h ASN 148 N -0.64 0.00 1.25 0.57 2.35 -1.37 -2.35 115.58 115.39 3kxp h ASN 148 Ca 0.03 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 3kxp h ASN 148 Cb 0.68 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.05 3kxp h ASN 148 CO -0.28 0.20 -0.19 0.00 -1.65 0.00 0.00 177.43 175.51 3kxp h ALA 149 N 1.80 0.95 0.00 -0.83 0.00 -0.98 -3.09 119.26 117.12 3kxp h ALA 149 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3kxp h ALA 149 Cb 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3kxp h ALA 149 CO 0.03 0.24 0.00 0.78 0.00 0.00 0.00 179.25 180.30 3kxp h GLY 150 N 2.70 0.00 -7.52 0.00 0.00 -0.83 -3.37 103.07 94.05 3kxp h GLY 150 Ca -0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 3kxp h GLY 150 CO 0.03 0.00 1.45 -0.45 0.00 0.00 0.00 176.54 177.56 3kxp s SER 151 N -5.03 5.81 0.19 0.19 0.15 -1.17 -4.82 113.70 109.02 3kxp s SER 151 Ca -0.01 -1.77 -0.10 0.00 0.70 0.00 0.00 55.95 54.77 3kxp s SER 151 Cb 0.10 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.82 3kxp s SER 151 CO 0.42 -2.23 0.34 0.00 1.20 0.00 0.00 173.24 172.97 3kxp s GLN 152 N 5.64 1.26 -0.12 5.44 -2.07 -1.26 -5.11 119.66 123.44 3kxp s GLN 152 Ca 0.61 -1.19 -0.21 0.00 -1.82 0.00 0.00 55.36 52.75 3kxp s GLN 152 Cb 0.00 0.40 -0.03 0.00 -1.09 0.00 0.00 33.01 32.29 3kxp s GLN 152 CO 0.07 -0.48 0.62 -1.17 -1.32 0.00 0.00 175.29 173.01 3kxp s LEU 153 N -2.98 4.25 -0.03 2.60 2.96 -1.26 -4.53 118.68 119.69 3kxp s LEU 153 Ca 0.19 0.99 0.02 0.00 -0.22 0.00 0.00 54.13 55.11 3kxp s LEU 153 Cb 0.02 -2.93 -0.03 0.00 0.50 0.00 0.00 46.19 43.75 3kxp s LEU 153 CO 0.02 -0.14 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.49 3kxp s PHE 154 N 1.11 2.92 0.21 5.38 0.40 -0.01 -4.98 117.98 123.01 3kxp s PHE 154 Ca 0.32 -0.00 -0.02 0.00 -0.60 0.00 0.00 56.93 56.63 3kxp s PHE 154 Cb -0.16 -1.65 0.18 0.00 0.51 0.00 0.00 43.02 41.89 3kxp s PHE 154 CO 0.14 0.36 1.55 1.49 0.70 0.00 0.00 175.22 179.46 3kxp h GLU 155 N 4.80 0.53 -2.76 0.44 4.81 -1.85 0.15 114.58 120.70 3kxp h GLU 155 Ca -0.49 -0.30 0.10 0.00 -0.13 0.00 0.00 59.36 58.54 3kxp h GLU 155 Cb 1.17 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.52 3kxp h GLU 155 CO 0.53 0.89 0.34 0.16 -0.73 0.00 0.00 179.01 180.21 3kxp s ASP 156 N -6.89 -0.17 0.30 1.04 3.84 -1.26 -4.45 116.67 109.09 3kxp s ASP 156 Ca -0.07 -0.64 0.03 0.00 -0.00 0.00 0.00 52.55 51.87 3kxp s ASP 156 Cb 0.12 0.66 0.62 0.00 -1.38 0.00 0.00 42.92 42.94 3kxp s ASP 156 CO 0.83 -1.24 1.85 -0.29 -0.00 0.00 0.00 175.17 176.32 3kxp h ILE 157 N 2.00 0.91 -0.44 2.11 6.09 -1.98 -0.42 117.51 125.79 3kxp h ILE 157 Ca -0.23 -0.32 -0.04 0.00 -1.37 0.00 0.00 64.86 62.90 3kxp h ILE 157 Cb 1.24 -0.08 -0.02 0.00 0.47 0.00 0.00 36.82 38.42 3kxp h ILE 157 CO 0.28 0.17 0.12 0.11 -3.07 0.00 0.00 178.15 175.76 3kxp h LYS 158 N 0.92 0.65 0.00 2.19 1.57 -1.99 0.26 116.57 120.17 3kxp h LYS 158 Ca 0.47 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 59.04 3kxp h LYS 158 Cb 0.52 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3kxp h LYS 158 CO -0.24 0.59 -0.47 0.00 -0.57 0.00 0.00 179.45 178.76 3kxp h ALA 159 N 1.50 1.06 -0.07 3.86 0.00 -1.51 -1.71 119.26 122.38 3kxp h ALA 159 Ca 0.15 -0.43 -0.20 0.00 0.00 0.00 0.00 54.91 54.43 3kxp h ALA 159 Cb 0.22 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.95 3kxp h ALA 159 CO -0.01 0.59 -0.74 0.28 0.00 0.00 0.00 179.25 179.37 3kxp h VAL 160 N 0.00 1.33 -0.57 0.00 2.07 -0.14 -2.46 116.25 116.48 3kxp h VAL 160 Ca -0.00 -2.02 -0.06 0.00 0.82 0.00 0.00 66.70 65.44 3kxp h VAL 160 Cb 0.93 2.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.93 3kxp h VAL 160 CO 0.06 0.62 0.13 -0.33 0.02 0.00 0.00 177.57 178.07 3kxp h GLU 161 N 0.27 0.92 0.78 1.57 5.08 -0.42 -1.84 114.58 120.94 3kxp h GLU 161 Ca -0.07 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 3kxp h GLU 161 Cb 1.39 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 3kxp h GLU 161 CO 0.15 0.86 -0.50 0.00 -1.00 0.00 0.00 179.01 178.52 3kxp h ALA 162 N 1.02 -1.26 -0.67 3.43 0.00 -1.34 -1.65 119.26 118.78 3kxp h ALA 162 Ca 0.18 -0.25 0.15 0.00 0.00 0.00 0.00 54.91 54.98 3kxp h ALA 162 Cb 0.36 0.62 -0.11 0.00 0.00 0.00 0.00 17.79 18.66 3kxp h ALA 162 CO 0.00 -1.23 0.01 -0.92 0.00 0.00 0.00 179.25 177.11 3kxp h TYR 163 N -1.20 -0.03 -0.57 0.00 3.20 -1.36 -1.72 116.97 115.29 3kxp h TYR 163 Ca -0.10 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.79 3kxp h TYR 163 Cb 0.97 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.33 3kxp h TYR 163 CO -0.12 -0.19 0.25 -0.07 -1.64 0.00 0.00 178.16 176.39 3kxp h LEU 164 N 0.12 0.77 -0.98 2.82 3.38 -1.19 -1.20 115.31 119.02 3kxp h LEU 164 Ca 0.36 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.23 3kxp h LEU 164 Cb 0.60 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 3kxp h LEU 164 CO -0.58 0.71 0.64 0.00 0.09 0.00 0.00 178.44 179.30 3kxp h ALA 165 N 1.09 1.33 -0.17 1.53 0.00 -0.44 0.16 119.26 122.75 3kxp h ALA 165 Ca 0.19 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 3kxp h ALA 165 Cb 0.17 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3kxp h ALA 165 CO -0.02 0.48 -0.55 0.78 0.00 0.00 0.00 179.25 179.93 3kxp h GLY 166 N 1.19 0.57 1.75 0.00 0.00 -1.01 -2.10 103.07 103.48 3kxp h GLY 166 Ca 0.41 -0.66 -0.17 0.00 0.00 0.00 0.00 47.33 46.90 3kxp h GLY 166 CO -0.15 0.59 -0.74 -0.09 0.00 0.00 0.00 176.54 176.16 3kxp h ARG 167 N 0.40 0.24 -2.15 4.80 2.43 -0.48 -3.35 114.38 116.27 3kxp h ARG 167 Ca 0.01 -0.20 -0.59 0.00 -0.81 0.00 0.00 59.98 58.39 3kxp h ARG 167 Cb 1.09 0.05 -0.41 0.00 -0.42 0.00 0.00 29.97 30.27 3kxp h ARG 167 CO 0.10 0.87 -0.74 0.66 -1.51 0.00 0.00 179.97 179.35 3kxp n TYR 168 N -3.77 2.61 0.05 2.20 4.02 0.48 -4.98 117.16 117.77 3kxp n TYR 168 Ca -0.03 -3.99 0.21 0.00 -0.01 0.00 0.00 57.90 54.08 3kxp n TYR 168 Cb 0.71 -0.50 0.70 0.00 -0.02 0.00 0.00 39.34 40.24 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 4.00 0.00 0.00 -0.72 0.13 -1.52 -2.43 132.00 131.46 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 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3kxp h PRO 169 CO 0.74 0.00 -0.96 0.09 -0.23 0.00 0.00 178.00 177.63 3kxp n ASN 170 N -3.62 0.67 -4.71 1.44 3.02 -1.26 -4.92 115.26 105.89 3kxp n ASN 170 Ca 0.09 -0.45 -0.42 0.00 -0.03 0.00 0.00 54.58 53.77 3kxp n ASN 170 Cb 0.75 0.81 -0.03 0.00 -0.61 0.00 0.00 39.78 40.70 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 -3.11 3.98 0.34 2.41 1.01 -0.92 -4.85 121.20 120.06 3kxp s ILE 171 Ca 0.06 1.40 -0.28 0.00 0.00 0.00 0.00 60.65 61.83 3kxp s ILE 171 Cb 0.15 -3.90 -0.12 0.00 0.01 0.00 0.00 42.46 38.60 3kxp s ILE 171 CO 0.81 0.08 1.29 -2.65 0.00 0.00 0.00 174.94 174.47 3kxp n PRO 172 N 4.31 2.12 -0.33 2.79 -0.02 -1.26 -4.71 135.00 137.90 3kxp n PRO 172 Ca 0.10 0.74 0.19 0.00 -2.02 0.00 0.00 63.50 62.51 3kxp n PRO 172 Cb 0.46 -2.32 0.40 0.00 -0.02 0.00 0.00 33.50 32.01 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 2.62 1.73 -0.78 3.55 0.00 -1.98 0.21 119.26 124.61 3kxp h ALA 173 Ca -0.46 0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.63 3kxp h ALA 173 Cb 1.28 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 3kxp h ALA 173 CO 0.63 -0.44 0.52 0.38 0.00 0.00 0.00 179.25 180.34 3kxp h ASP 174 N 0.39 0.90 0.37 0.00 3.04 -2.00 -0.46 116.42 118.66 3kxp h ASP 174 Ca 0.66 -0.02 -0.14 0.00 -3.24 0.00 0.00 57.03 54.28 3kxp h ASP 174 Cb 1.38 -0.22 -0.01 0.00 -1.04 0.00 0.00 39.33 39.43 3kxp h ASP 174 CO -0.57 0.65 -0.58 0.00 -2.04 0.00 0.00 179.24 176.70 3kxp h ALA 175 N 1.29 0.89 -0.51 4.15 0.00 -0.99 -2.63 119.26 121.46 3kxp h ALA 175 Ca 0.29 -0.53 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 3kxp h ALA 175 Cb -0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3kxp h ALA 175 CO -0.06 0.72 -0.14 0.82 0.00 0.00 0.00 179.25 180.59 3kxp h ILE 176 N 0.16 1.27 -0.57 0.00 1.08 -0.65 -2.49 117.51 116.31 3kxp h ILE 176 Ca -0.00 -1.28 -0.08 0.00 -0.39 0.00 0.00 64.86 63.10 3kxp h ILE 176 Cb 1.07 1.02 -0.02 0.00 -3.07 0.00 0.00 36.82 35.82 3kxp h ILE 176 CO 0.09 0.45 0.02 -0.09 -0.69 0.00 0.00 178.15 177.93 3kxp h ARG 177 N 0.86 0.96 -0.77 2.37 2.43 -0.96 -1.69 114.38 117.57 3kxp h ARG 177 Ca 0.13 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 3kxp h ARG 177 Cb 0.69 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.10 3kxp h ARG 177 CO 0.05 0.93 0.48 0.82 -1.51 0.00 0.00 179.97 180.75 3kxp h ILE 178 N 0.89 1.21 -0.10 1.20 2.04 -1.23 -0.28 117.51 121.24 3kxp h ILE 178 Ca 0.17 -0.43 -0.10 0.00 1.00 0.00 0.00 64.86 65.49 3kxp h ILE 178 Cb 0.49 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 3kxp h ILE 178 CO 0.02 0.21 -0.40 0.03 0.00 0.00 0.00 178.15 178.01 3kxp h ARG 179 N 1.05 0.22 -0.24 2.37 3.08 -1.15 -1.56 114.38 118.15 3kxp h ARG 179 Ca 0.28 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 60.13 3kxp h ARG 179 Cb -0.07 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 3kxp h ARG 179 CO -0.06 0.59 -0.23 0.00 -1.07 0.00 0.00 179.97 179.20 3kxp h ALA 180 N 1.40 0.35 0.00 0.04 0.00 -0.54 -1.78 119.26 118.72 3kxp h ALA 180 Ca 0.02 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 3kxp h ALA 180 Cb 0.79 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3kxp h ALA 180 CO 0.06 0.31 -0.32 0.93 0.00 0.00 0.00 179.25 180.23 3kxp h GLU 181 N 0.28 0.00 0.00 0.00 5.08 -1.03 -3.36 114.58 115.54 3kxp h GLU 181 Ca 0.04 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.19 3kxp h GLU 181 Cb 0.79 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 3kxp h GLU 181 CO 0.06 0.32 -2.02 -1.13 -1.00 0.00 0.00 179.01 175.23 3kxp n SER 182 N -3.20 0.22 -1.05 1.42 3.41 -0.59 -4.60 113.62 109.23 3kxp n SER 182 Ca 0.02 0.10 0.12 0.00 -0.26 0.00 0.00 58.87 58.85 3kxp n SER 182 Cb 0.64 1.07 0.19 0.00 -0.26 0.00 0.00 64.21 65.86 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 1.52 1.39 3.53 5.00 0.00 -0.67 -4.95 105.19 111.00 3kxp n GLY 183 Ca -0.18 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 44.88 3kxp n GLY 183 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kxp s TYR 184 N -1.68 2.36 0.02 1.61 1.51 -1.26 -1.01 117.35 118.89 3kxp s TYR 184 Ca 0.35 -0.50 0.03 0.00 -1.01 0.00 0.00 57.07 55.95 3kxp s TYR 184 Cb 0.22 -1.33 -0.01 0.00 -0.11 0.00 0.00 41.96 40.73 3kxp s TYR 184 CO 0.31 0.57 -0.10 1.14 -1.11 0.00 0.00 175.55 176.36 3kxp s GLN 185 N -3.61 0.76 0.14 -0.62 -2.07 0.66 -4.74 119.66 110.18 3kxp s GLN 185 Ca 0.32 -0.53 -0.30 0.00 -1.82 0.00 0.00 55.36 53.03 3kxp s GLN 185 Cb 0.02 -0.71 -0.07 0.00 -1.09 0.00 0.00 33.01 31.16 3kxp s GLN 185 CO 0.16 0.18 1.04 -1.25 -1.32 0.00 0.00 175.29 174.10 3kxp s PRO 186 N -0.73 4.64 0.20 9.60 0.04 -1.26 -1.39 135.00 146.10 3kxp s PRO 186 Ca 0.01 1.59 0.01 0.00 0.04 0.00 0.00 61.00 62.65 3kxp s PRO 186 Cb -0.06 -3.32 -0.00 0.00 0.04 0.00 0.00 34.50 31.15 3kxp s PRO 186 CO 0.00 0.14 0.25 1.33 0.04 0.00 0.00 177.00 178.76 3kxp n VAL 187 N 2.59 0.00 -1.88 -0.36 0.24 0.24 -4.94 118.33 114.22 3kxp n VAL 187 Ca 0.03 -1.16 -0.42 0.00 -2.04 0.00 0.00 64.34 60.75 3kxp n VAL 187 Cb 0.48 0.66 -0.03 0.00 -1.47 0.00 0.00 33.84 33.48 3kxp n VAL 187 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3kxp s ASP 188 N -2.30 6.58 0.00 -1.34 -0.00 -1.26 -1.24 116.67 117.12 3kxp s ASP 188 Ca 0.19 2.46 0.00 0.00 -0.00 0.00 0.00 52.55 55.20 3kxp s ASP 188 Cb -0.00 -2.55 0.00 0.00 -0.00 0.00 0.00 42.92 40.37 3kxp s ASP 188 CO 0.14 -0.94 0.00 0.61 -0.00 0.00 0.00 175.17 174.97 3kxp n GLY 189 N 4.17 3.30 0.00 0.21 0.00 -1.26 -4.89 105.19 106.72 3kxp n GLY 189 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.95 0.48 3.48 -0.02 0.00 -0.37 -4.34 105.19 102.47 3kxp n GLY 190 Ca 0.00 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 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 2.70 0.01 0.99 1.02 0.54 0.81 118.68 124.75 3kxp s LEU 191 Ca 0.00 -0.35 -0.02 0.00 0.02 0.00 0.00 54.13 53.78 3kxp s LEU 191 Cb 0.00 -1.57 -0.01 0.00 0.02 0.00 0.00 46.19 44.63 3kxp s LEU 191 CO 0.00 0.27 0.01 -0.60 0.02 0.00 0.00 176.35 176.06 3kxp s ARG 192 N -1.32 0.33 0.41 1.70 3.52 -0.49 -0.83 118.95 122.27 3kxp s ARG 192 Ca 0.14 -0.52 -0.26 0.00 -0.13 0.00 0.00 55.73 54.97 3kxp s ARG 192 Cb -0.11 0.12 -0.10 0.00 -1.56 0.00 0.00 34.95 33.31 3kxp s ARG 192 CO 0.05 -0.06 1.28 -2.30 -0.81 0.00 0.00 175.30 173.46 3kxp n PRO 193 N 1.66 1.98 -0.11 5.12 -0.02 -1.26 -0.24 135.00 142.13 3kxp n PRO 193 Ca -0.23 0.70 -0.13 0.00 -2.02 0.00 0.00 63.50 61.82 3kxp n PRO 193 Cb 0.55 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 3kxp n PRO 193 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3kxp h LEU 194 N 2.16 0.92 -9.52 2.45 3.38 -1.36 -3.44 115.31 109.90 3kxp h LEU 194 Ca -0.48 -0.48 -0.60 0.00 0.09 0.00 0.00 57.88 56.42 3kxp h LEU 194 Cb 1.29 -0.26 0.11 0.00 0.09 0.00 0.00 40.66 41.89 3kxp h LEU 194 CO 0.60 1.21 0.17 0.00 0.09 0.00 0.00 178.44 180.51 3kxp n ALA 195 N -2.53 -0.02 -2.37 1.53 0.00 -1.26 -4.82 120.51 111.04 3kxp n ALA 195 Ca -0.03 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.35 3kxp n ALA 195 Cb 0.53 -2.05 -0.02 0.00 0.00 0.00 0.00 19.45 17.91 3kxp n ALA 195 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kxp s SER 196 N -0.55 6.84 0.35 0.00 0.15 -0.59 -4.91 113.70 115.00 3kxp s SER 196 Ca 0.58 1.65 0.04 0.00 0.70 0.00 0.00 55.95 58.93 3kxp s SER 196 Cb -0.67 -2.54 0.66 0.00 -1.71 0.00 0.00 66.02 61.76 3kxp s SER 196 CO 0.60 -0.86 1.94 0.77 1.20 0.00 0.00 173.24 176.89 3kxp h SER 197 N 8.65 0.55 -0.18 5.45 4.64 -1.90 -1.38 113.55 129.38 3kxp h SER 197 Ca -0.28 -0.06 -0.09 0.00 -0.47 0.00 0.00 61.79 60.88 3kxp h SER 197 Cb 1.11 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 3kxp h SER 197 CO 0.98 0.52 -0.18 0.00 -0.87 0.00 0.00 176.83 177.27 3kxp h ALA 198 N 1.57 1.07 0.00 5.18 0.00 -1.96 -1.70 119.26 123.42 3kxp h ALA 198 Ca 0.14 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3kxp h ALA 198 Cb 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3kxp h ALA 198 CO -0.01 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.81 3kxp n ALA 199 N -2.49 1.70 0.00 0.00 0.00 -0.52 -1.95 120.51 117.25 3kxp n ALA 199 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kxp n ALA 199 Cb 0.38 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 0.50 0.00 -0.30 0.00 0.00 -0.64 -0.19 120.51 119.88 3kxp n ALA 201 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3kxp n ALA 201 Cb 0.14 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.65 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 1.15 -0.22 0.00 4.20 -1.65 -2.10 115.11 116.49 3kxp h GLN 202 Ca 0.00 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.52 3kxp h GLN 202 Cb 0.00 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 3kxp h GLN 202 CO 0.00 0.88 0.03 1.15 -0.67 0.00 0.00 178.83 180.22 3kxp h THR 203 N 1.14 1.23 -0.44 -0.54 2.02 -0.76 -1.77 112.91 113.78 3kxp h THR 203 Ca 0.28 -0.76 0.07 0.00 0.77 0.00 0.00 66.41 66.77 3kxp h THR 203 Cb 0.09 1.30 -0.06 0.00 -1.74 0.00 0.00 68.15 67.74 3kxp h THR 203 CO -0.04 0.24 0.10 0.00 0.37 0.00 0.00 175.52 176.19 3kxp h ALA 204 N 0.84 0.49 -0.27 6.16 0.00 -1.76 -0.14 119.26 124.58 3kxp h ALA 204 Ca 0.07 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3kxp h ALA 204 Cb 0.33 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3kxp h ALA 204 CO 0.00 -0.30 -0.05 -0.09 0.00 0.00 0.00 179.25 178.82 3kxp h ARG 205 N 0.24 0.43 0.00 0.00 2.43 -1.32 -2.41 114.38 113.75 3kxp h ARG 205 Ca 0.22 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 3kxp h ARG 205 Cb 0.26 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3kxp h ARG 205 CO -0.27 0.50 -0.26 0.78 -1.51 0.00 0.00 179.97 179.20 3kxp h GLY 206 N 0.80 0.00 2.00 2.80 0.00 -0.15 -2.71 103.07 105.81 3kxp h GLY 206 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3kxp h GLY 206 CO 0.01 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.59 3kxp n LEU 207 N -3.64 0.18 0.03 3.11 4.77 -0.44 -2.11 117.00 118.90 3kxp n LEU 207 Ca -0.01 0.55 0.13 0.00 -0.03 0.00 0.00 56.01 56.66 3kxp n LEU 207 Cb 0.39 -0.53 0.48 0.00 -2.33 0.00 0.00 43.42 41.42 3kxp n LEU 207 CO 0.34 -0.39 0.81 0.54 -1.33 0.00 0.00 177.39 177.37 3kxp n ARG 208 N -1.71 0.08 -1.76 3.23 1.74 -1.02 -4.91 116.66 112.31 3kxp n ARG 208 Ca 0.02 0.05 -0.38 0.00 -0.77 0.00 0.00 57.85 56.78 3kxp n ARG 208 Cb 0.16 -1.58 0.05 0.00 -1.02 0.00 0.00 32.46 30.07 3kxp n ARG 208 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3kxp s SER 209 N -3.42 5.02 0.03 0.55 1.04 -0.90 -4.89 113.70 111.14 3kxp s SER 209 Ca 0.12 2.73 -0.30 0.00 0.48 0.00 0.00 55.95 58.98 3kxp s SER 209 Cb 0.17 -2.63 -0.08 0.00 0.10 0.00 0.00 66.02 63.57 3kxp s SER 209 CO 0.59 -1.73 1.86 -0.62 0.98 0.00 0.00 173.24 174.31 3kxp s ASP 210 N -1.09 6.50 0.00 7.02 2.15 -1.26 -4.88 116.67 125.11 3kxp s ASP 210 Ca 0.75 2.58 0.20 0.00 0.43 0.00 0.00 52.55 56.51 3kxp s ASP 210 Cb -0.40 -2.54 0.10 0.00 -0.30 0.00 0.00 42.92 39.78 3kxp s ASP 210 CO 0.45 -1.01 1.08 -0.11 -0.17 0.00 0.00 175.17 175.42 3kxp n LEU 211 N 7.03 2.37 -0.19 -1.34 7.94 -1.26 -4.54 117.00 127.01 3kxp n LEU 211 Ca 0.19 -0.91 -0.02 0.00 -1.11 0.00 0.00 56.01 54.16 3kxp n LEU 211 Cb 0.41 0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.44 3kxp n LEU 211 CO 0.66 0.42 1.00 0.58 -1.11 0.00 0.00 177.39 178.94 3kxp h VAL 212 N 3.28 0.85 -0.65 1.96 2.07 -1.96 -2.68 116.25 119.12 3kxp h VAL 212 Ca 0.00 -0.15 0.10 0.00 0.82 0.00 0.00 66.70 67.47 3kxp h VAL 212 Cb 0.78 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 30.84 3kxp h VAL 212 CO 0.00 0.08 0.27 -0.65 0.02 0.00 0.00 177.57 177.29 3kxp h PRO 213 N 0.44 0.45 -0.55 1.57 0.11 -1.99 0.21 132.00 132.24 3kxp h PRO 213 Ca 0.27 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.32 3kxp h PRO 213 Cb 0.27 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 3kxp h PRO 213 CO -0.24 0.30 0.22 0.00 -0.21 0.00 0.00 178.00 178.07 3kxp h ALA 214 N 1.44 0.72 -0.20 -0.75 0.00 -1.79 -0.40 119.26 118.27 3kxp h ALA 214 Ca 0.33 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.89 3kxp h ALA 214 Cb 0.41 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3kxp h ALA 214 CO -0.31 0.33 -0.65 1.88 0.00 0.00 0.00 179.25 180.51 3kxp h TYR 215 N 0.75 0.95 -0.69 0.00 -1.99 -1.23 -2.17 116.97 112.60 3kxp h TYR 215 Ca 0.18 -0.38 -0.06 0.00 2.00 0.00 0.00 58.73 60.48 3kxp h TYR 215 Cb 0.20 -0.16 -0.03 0.00 2.00 0.00 0.00 36.73 38.74 3kxp h TYR 215 CO 0.01 1.18 0.19 -0.09 -0.00 0.00 0.00 178.16 179.45 3kxp h ARG 216 N 0.54 1.08 -0.00 4.88 2.43 -0.41 -3.28 114.38 119.61 3kxp h ARG 216 Ca -0.01 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 3kxp h ARG 216 Cb 1.25 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3kxp h ARG 216 CO 0.13 0.94 -0.77 -0.25 -1.51 0.00 0.00 179.97 178.52 3kxp n ASP 217 N -4.25 1.08 -4.68 -3.80 8.00 -0.18 -4.96 116.55 107.77 3kxp n ASP 217 Ca 0.05 -0.93 -0.42 0.00 0.71 0.00 0.00 54.79 54.20 3kxp n ASP 217 Cb 0.24 0.71 -0.03 0.00 -0.02 0.00 0.00 41.12 42.02 3kxp n ASP 217 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kxp s VAL 218 N -2.88 2.96 -0.88 2.53 0.11 -0.82 -4.89 120.40 116.53 3kxp s VAL 218 Ca 0.11 0.32 0.22 0.00 -2.93 0.00 0.00 61.98 59.70 3kxp s VAL 218 Cb 0.17 -3.21 -0.18 0.00 -1.53 0.00 0.00 36.38 31.63 3kxp s VAL 218 CO 0.76 -0.01 0.98 0.35 -3.33 0.00 0.00 175.10 173.86 3kxp n THR 219 N 4.94 0.02 -3.27 5.04 -2.24 -1.26 -4.95 114.28 112.57 3kxp n THR 219 Ca 0.17 -0.07 -0.24 0.00 -2.27 0.00 0.00 64.05 61.65 3kxp n THR 219 Cb 0.40 0.69 -0.01 0.00 -2.10 0.00 0.00 70.33 69.32 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 -3.06 3.42 0.32 -0.78 -0.14 -1.26 -5.04 119.74 113.19 3kxp s LYS 220 Ca 0.07 -0.33 -0.29 0.00 -1.36 0.00 0.00 55.97 54.06 3kxp s LYS 220 Cb 0.16 -2.63 -0.11 0.00 -1.68 0.00 0.00 37.83 33.57 3kxp s LYS 220 CO 0.83 0.06 1.55 -2.14 -0.76 0.00 0.00 175.35 174.89 3kxp s PRO 221 N -4.38 4.12 -0.05 -1.68 0.02 -1.26 -4.88 135.00 126.89 3kxp s PRO 221 Ca 0.42 2.56 -0.01 0.00 0.02 0.00 0.00 61.00 64.00 3kxp s PRO 221 Cb -0.10 -3.01 0.03 0.00 0.02 0.00 0.00 34.50 31.44 3kxp s PRO 221 CO 0.37 -0.59 -0.00 0.08 -0.33 0.00 0.00 177.00 176.53 3kxp s VAL 222 N -0.39 0.31 -0.38 3.83 1.01 -1.26 -0.70 120.40 122.82 3kxp s VAL 222 Ca 0.59 0.10 -0.15 0.00 0.00 0.00 0.00 61.98 62.52 3kxp s VAL 222 Cb -0.47 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 35.48 3kxp s VAL 222 CO 0.53 0.22 0.33 -0.22 0.00 0.00 0.00 175.10 175.96 3kxp s LEU 223 N 1.56 4.74 -0.21 3.92 2.96 0.59 -3.91 118.68 128.34 3kxp s LEU 223 Ca -0.02 -0.56 -0.25 0.00 -0.22 0.00 0.00 54.13 53.09 3kxp s LEU 223 Cb -0.13 -2.25 -0.01 0.00 0.50 0.00 0.00 46.19 44.30 3kxp s LEU 223 CO -0.03 -0.40 0.82 -0.63 -1.32 0.00 0.00 176.35 174.79 3kxp s ILE 224 N 1.88 4.86 -0.19 6.68 1.01 -0.54 -1.33 121.20 133.57 3kxp s ILE 224 Ca 0.09 1.58 0.00 0.00 0.00 0.00 0.00 60.65 62.32 3kxp s ILE 224 Cb -0.18 -4.12 0.02 0.00 0.01 0.00 0.00 42.46 38.19 3kxp s ILE 224 CO 0.11 -0.02 -0.17 -0.69 0.00 0.00 0.00 174.94 174.17 3kxp s VAL 225 N 2.47 2.28 0.03 2.92 1.01 -0.66 -0.41 120.40 128.04 3kxp s VAL 225 Ca 0.36 -0.88 0.09 0.00 0.00 0.00 0.00 61.98 61.55 3kxp s VAL 225 Cb -0.16 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 3kxp s VAL 225 CO 0.10 0.51 -0.26 -0.60 0.00 0.00 0.00 175.10 174.86 3kxp s ARG 226 N 1.32 1.81 -0.05 2.72 3.52 0.11 0.06 118.95 128.44 3kxp s ARG 226 Ca 0.05 -1.05 -0.26 0.00 -0.13 0.00 0.00 55.73 54.34 3kxp s ARG 226 Cb -0.13 -1.93 -0.03 0.00 -1.56 0.00 0.00 34.95 31.29 3kxp s ARG 226 CO -0.11 0.51 0.81 0.20 -0.81 0.00 0.00 175.30 175.89 3kxp s GLY 227 N -1.09 2.68 0.25 8.12 0.00 -1.26 -0.64 107.32 115.38 3kxp s GLY 227 Ca 0.11 0.27 -0.11 0.00 0.00 0.00 0.00 44.72 44.99 3kxp s GLY 227 CO 0.01 1.40 1.50 -2.21 0.00 0.00 0.00 173.10 173.80 3kxp n GLU 228 N 3.94 -0.14 -1.10 2.90 4.07 -0.10 -1.11 120.64 129.10 3kxp n GLU 228 Ca 0.02 1.49 -0.15 0.00 -0.06 0.00 0.00 57.16 58.47 3kxp n GLU 228 Cb 0.51 -2.23 0.16 0.00 -0.06 0.00 0.00 31.44 29.83 3kxp n GLU 228 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 3kxp n SER 229 N -5.51 3.63 -4.75 4.31 3.41 -0.24 -4.94 113.62 109.53 3kxp n SER 229 Ca 0.13 -3.75 -0.41 0.00 -0.26 0.00 0.00 58.87 54.57 3kxp n SER 229 Cb 0.44 -0.69 -0.02 0.00 -0.26 0.00 0.00 64.21 63.68 3kxp n SER 229 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3kxp s SER 230 N -2.30 6.51 0.02 4.04 0.15 -0.27 -4.53 113.70 117.32 3kxp s SER 230 Ca 0.51 2.84 0.24 0.00 0.70 0.00 0.00 55.95 60.23 3kxp s SER 230 Cb 0.44 -2.64 0.32 0.00 -1.71 0.00 0.00 66.02 62.43 3kxp s SER 230 CO 0.02 -0.79 1.28 0.29 1.20 0.00 0.00 173.24 175.24 3kxp n LYS 231 N 1.85 0.08 -0.04 5.44 5.02 -1.26 -4.25 118.16 124.99 3kxp n LYS 231 Ca 0.06 0.01 -0.21 0.00 -2.02 0.00 0.00 58.31 56.15 3kxp n LYS 231 Cb 0.39 -1.53 -0.13 0.00 -0.02 0.00 0.00 35.03 33.74 3kxp n LYS 231 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3kxp n LEU 232 N -1.64 2.65 -4.20 -0.35 7.94 -1.26 -4.76 117.00 115.38 3kxp n LEU 232 Ca 0.04 0.14 -0.37 0.00 -1.11 0.00 0.00 56.01 54.71 3kxp n LEU 232 Cb 0.36 -1.04 -0.12 0.00 0.53 0.00 0.00 43.42 43.15 3kxp n LEU 232 CO 0.37 0.83 -0.22 -0.69 -1.11 0.00 0.00 177.39 176.56 3kxp s VAL 233 N -2.53 3.54 0.76 1.96 1.01 -1.26 -4.70 120.40 119.18 3kxp s VAL 233 Ca -0.27 -1.54 -0.11 0.00 0.00 0.00 0.00 61.98 60.06 3kxp s VAL 233 Cb 0.07 -3.17 0.05 0.00 0.00 0.00 0.00 36.38 33.33 3kxp s VAL 233 CO 0.70 -0.39 1.10 -0.94 0.00 0.00 0.00 175.10 175.57 3kxp s SER 234 N 1.66 4.90 0.43 3.32 1.04 -1.26 -4.54 113.70 119.25 3kxp s SER 234 Ca 0.01 1.21 0.14 0.00 0.48 0.00 0.00 55.95 57.79 3kxp s SER 234 Cb -0.21 -1.96 0.94 0.00 0.10 0.00 0.00 66.02 64.89 3kxp s SER 234 CO -0.00 -1.70 1.96 0.00 0.98 0.00 0.00 173.24 174.48 3kxp h ALA 235 N -0.90 1.64 -0.28 5.32 0.00 -1.92 -2.04 119.26 121.08 3kxp h ALA 235 Ca -0.46 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.09 3kxp h ALA 235 Cb 1.26 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3kxp h ALA 235 CO 0.62 0.27 -0.50 0.00 0.00 0.00 0.00 179.25 179.64 3kxp h ALA 236 N 1.77 0.59 -0.36 0.00 0.00 -1.99 -1.34 119.26 117.94 3kxp h ALA 236 Ca 0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 3kxp h ALA 236 Cb 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3kxp h ALA 236 CO 0.03 0.68 -0.26 0.00 0.00 0.00 0.00 179.25 179.70 3kxp h ALA 237 N 0.83 0.86 -0.15 0.00 0.00 -1.70 -1.50 119.26 117.60 3kxp h ALA 237 Ca 0.03 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 3kxp h ALA 237 Cb 1.08 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3kxp h ALA 237 CO 0.11 0.63 -0.10 1.25 0.00 0.00 0.00 179.25 181.13 3kxp h LEU 238 N 0.64 0.35 -0.92 0.00 5.85 -1.34 -1.79 115.31 118.10 3kxp h LEU 238 Ca 0.08 -0.44 0.11 0.00 0.84 0.00 0.00 57.88 58.47 3kxp h LEU 238 Cb 0.77 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.62 3kxp h LEU 238 CO 0.06 0.72 0.56 0.00 -0.34 0.00 0.00 178.44 179.44 3kxp h ALA 239 N 0.64 1.36 -0.16 1.25 0.00 -1.11 -0.13 119.26 121.11 3kxp h ALA 239 Ca 0.03 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3kxp h ALA 239 Cb 0.60 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3kxp h ALA 239 CO 0.03 0.16 -0.47 0.87 0.00 0.00 0.00 179.25 179.84 3kxp h LYS 240 N 0.89 0.42 -0.57 0.00 1.57 -1.19 -2.70 116.57 114.99 3kxp h LYS 240 Ca 0.45 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.92 3kxp h LYS 240 Cb 0.44 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3kxp h LYS 240 CO -0.26 0.81 0.04 1.15 -0.57 0.00 0.00 179.45 180.61 3kxp h THR 241 N 0.34 1.26 0.00 -0.16 2.02 -0.28 -2.08 112.91 114.01 3kxp h THR 241 Ca 0.02 -1.07 -0.07 0.00 0.77 0.00 0.00 66.41 66.06 3kxp h THR 241 Cb 0.96 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 3kxp h THR 241 CO 0.08 0.39 -0.34 0.28 0.37 0.00 0.00 175.52 176.30 3kxp h SER 242 N 0.87 0.00 -0.44 4.18 0.02 -0.98 -0.05 113.55 117.15 3kxp h SER 242 Ca 0.17 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.00 3kxp h SER 242 Cb 0.49 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 3kxp h SER 242 CO 0.02 0.34 -0.20 0.03 -1.14 0.00 0.00 176.83 175.88 3kxp h ARG 243 N 0.00 0.91 -0.40 3.45 2.47 -1.15 0.21 114.38 119.86 3kxp h ARG 243 Ca -0.00 -0.39 -0.03 0.00 -1.26 0.00 0.00 59.98 58.30 3kxp h ARG 243 Cb 0.67 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.94 3kxp h ARG 243 CO 0.04 1.05 0.14 1.25 0.56 0.00 0.00 179.97 183.01 3kxp h LEU 244 N 0.74 0.57 -6.24 3.04 5.85 -0.67 -3.37 115.31 115.23 3kxp h LEU 244 Ca 0.10 -0.19 -0.58 0.00 0.84 0.00 0.00 57.88 58.05 3kxp h LEU 244 Cb 0.77 -0.15 -0.39 0.00 0.37 0.00 0.00 40.66 41.26 3kxp h LEU 244 CO 0.06 0.61 -0.95 0.54 -0.34 0.00 0.00 178.44 178.35 3kxp n ARG 245 N -4.62 0.85 0.18 1.25 5.12 -0.10 -4.96 116.66 114.39 3kxp n ARG 245 Ca -0.00 -3.49 0.13 0.00 -1.93 0.00 0.00 57.85 52.55 3kxp n ARG 245 Cb 0.16 -1.59 0.66 0.00 -1.16 0.00 0.00 32.46 30.53 3kxp n ARG 245 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3kxp h PRO 246 N 4.70 0.00 0.00 5.56 0.13 -0.76 -2.59 132.00 139.04 3kxp h PRO 246 Ca 0.16 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.19 3kxp h PRO 246 Cb 0.85 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.97 3kxp h PRO 246 CO 0.50 0.00 -0.50 0.38 -0.23 0.00 0.00 178.00 178.15 3kxp h ASP 247 N 0.00 0.00 -2.96 1.44 3.04 -1.93 -3.44 116.42 112.56 3kxp h ASP 247 Ca 0.00 0.00 -0.56 0.00 -3.24 0.00 0.00 57.03 53.23 3kxp h ASP 247 Cb 0.06 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.33 3kxp h ASP 247 CO 0.00 0.50 0.82 -0.76 -2.04 0.00 0.00 179.24 177.76 3kxp s LEU 248 N -6.62 4.25 0.42 0.15 1.43 -0.98 -4.99 118.68 112.35 3kxp s LEU 248 Ca 0.03 1.84 -0.26 0.00 -1.03 0.00 0.00 54.13 54.70 3kxp s LEU 248 Cb 0.09 -3.55 -0.09 0.00 0.03 0.00 0.00 46.19 42.67 3kxp s LEU 248 CO 0.73 -0.69 1.42 -2.16 0.23 0.00 0.00 176.35 175.88 3kxp s PRO 249 N 2.84 3.85 0.07 1.29 0.04 -1.25 -4.84 135.00 137.00 3kxp s PRO 249 Ca 0.58 2.41 0.09 0.00 0.04 0.00 0.00 61.00 64.12 3kxp s PRO 249 Cb -0.25 -2.76 -0.03 0.00 0.04 0.00 0.00 34.50 31.50 3kxp s PRO 249 CO 0.20 -0.68 -0.25 0.08 0.04 0.00 0.00 177.00 176.39 3kxp s VAL 250 N -1.19 2.07 -0.05 -0.36 1.01 -1.26 -1.47 120.40 119.15 3kxp s VAL 250 Ca 0.58 -1.47 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 3kxp s VAL 250 Cb -0.43 -1.80 0.03 0.00 0.00 0.00 0.00 36.38 34.17 3kxp s VAL 250 CO 0.57 0.24 -0.01 -0.69 0.00 0.00 0.00 175.10 175.21 3kxp s VAL 251 N -0.89 0.36 -0.21 2.92 1.01 0.45 -4.96 120.40 119.07 3kxp s VAL 251 Ca 0.11 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 3kxp s VAL 251 Cb -0.10 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.82 3kxp s VAL 251 CO 0.03 0.22 -0.10 -0.69 0.00 0.00 0.00 175.10 174.56 3kxp s VAL 252 N 1.47 2.78 -0.36 2.92 1.01 -1.26 0.05 120.40 127.01 3kxp s VAL 252 Ca -0.03 -0.79 -0.20 0.00 0.00 0.00 0.00 61.98 60.96 3kxp s VAL 252 Cb -0.13 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.97 3kxp s VAL 252 CO -0.03 0.40 0.62 -0.69 0.00 0.00 0.00 175.10 175.41 3kxp s VAL 253 N 1.37 4.90 0.31 2.92 1.01 0.18 -4.83 120.40 126.26 3kxp s VAL 253 Ca 0.04 0.51 -0.29 0.00 0.00 0.00 0.00 61.98 62.23 3kxp s VAL 253 Cb -0.14 -4.08 -0.11 0.00 0.00 0.00 0.00 36.38 32.05 3kxp s VAL 253 CO -0.07 -0.33 1.44 -2.84 0.00 0.00 0.00 175.10 173.30 3kxp s PRO 254 N 2.68 4.22 0.00 2.72 0.02 -1.26 -0.92 135.00 142.46 3kxp s PRO 254 Ca 0.24 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.65 3kxp s PRO 254 Cb -0.15 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.33 3kxp s PRO 254 CO 0.15 -0.43 0.00 0.41 -0.33 0.00 0.00 177.00 176.81 3kxp n GLY 255 N 1.36 1.43 3.79 0.52 0.00 -1.26 -4.91 105.19 106.12 3kxp n GLY 255 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.41 3.62 0.00 4.61 0.00 -1.08 -4.94 121.76 120.55 3kxp s ALA 256 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.09 3kxp s ALA 256 Cb 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.53 3kxp s ALA 256 CO 0.00 0.70 0.00 -0.40 0.00 0.00 0.00 175.76 176.06 3kxp n ASP 257 N 1.09 0.00 -0.26 0.00 3.85 -1.26 -1.08 116.55 118.89 3kxp n ASP 257 Ca -0.12 0.00 -0.04 0.00 -0.71 0.00 0.00 54.79 53.92 3kxp n ASP 257 Cb 0.53 0.00 0.12 0.00 -1.35 0.00 0.00 41.12 40.42 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 1.11 -0.25 2.11 -0.00 -1.88 -3.30 115.15 112.93 3kxp h HIS 258 Ca 0.00 -0.06 -0.69 0.00 -0.00 0.00 0.00 60.37 59.62 3kxp h HIS 258 Cb 0.00 -0.34 -0.02 0.00 -0.00 0.00 0.00 27.41 27.05 3kxp h HIS 258 CO 0.00 0.82 3.40 0.66 -0.00 0.00 0.00 177.93 182.81 3kxp n TYR 259 N -4.30 2.70 0.10 5.26 4.01 -1.26 -4.78 117.16 118.88 3kxp n TYR 259 Ca 0.07 -3.02 -0.13 0.00 -0.16 0.00 0.00 57.90 54.67 3kxp n TYR 259 Cb 0.16 -2.38 -0.06 0.00 -0.31 0.00 0.00 39.34 36.75 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 3.18 0.29 0.00 -0.72 2.07 -1.94 0.00 116.25 119.13 3kxp h VAL 260 Ca 0.76 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 68.27 3kxp h VAL 260 Cb 0.37 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3kxp h VAL 260 CO 1.75 0.00 -0.05 -0.55 0.02 0.00 0.00 177.57 178.74 3kxp h ASN 261 N -0.54 0.00 0.31 0.57 7.08 -1.86 0.18 115.58 121.32 3kxp h ASN 261 Ca 0.04 0.00 -0.17 0.00 -3.08 0.00 0.00 56.30 53.08 3kxp h ASN 261 Cb 0.58 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.79 3kxp h ASN 261 CO -0.22 0.05 -1.85 -0.62 -2.08 0.00 0.00 177.43 172.71 3kxp n GLU 262 N -3.38 0.65 0.02 4.14 1.02 -1.06 -3.67 120.64 118.37 3kxp n GLU 262 Ca -0.02 0.03 -0.19 0.00 -0.02 0.00 0.00 57.16 56.96 3kxp n GLU 262 Cb 0.19 -1.64 -0.14 0.00 -0.02 0.00 0.00 31.44 29.83 3kxp n GLU 262 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3kxp h VAL 263 N 0.00 0.78 -2.12 2.62 2.07 -0.67 -3.40 116.25 115.53 3kxp h VAL 263 Ca -0.23 -2.48 -0.57 0.00 0.82 0.00 0.00 66.70 64.25 3kxp h VAL 263 Cb 1.59 2.58 -0.41 0.00 -1.52 0.00 0.00 31.29 33.54 3kxp h VAL 263 CO 0.03 0.83 -0.85 -1.20 0.02 0.00 0.00 177.57 176.40 3kxp n SER 264 N -3.44 2.39 -0.29 0.57 7.64 0.59 -4.94 113.62 116.14 3kxp n SER 264 Ca -0.26 -3.20 0.07 0.00 1.01 0.00 0.00 58.87 56.48 3kxp n SER 264 Cb 1.05 -0.63 0.29 0.00 -1.01 0.00 0.00 64.21 63.91 3kxp n SER 264 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3kxp h PRO 265 N 3.73 0.89 0.57 1.43 0.13 -1.73 -1.37 132.00 135.65 3kxp h PRO 265 Ca 0.13 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.18 3kxp h PRO 265 Cb 0.74 -0.20 0.01 0.00 0.13 0.00 0.00 31.00 31.68 3kxp h PRO 265 CO 0.67 0.59 -0.27 0.93 -0.23 0.00 0.00 178.00 179.69 3kxp h GLU 266 N 0.91 -0.73 -0.88 0.86 4.39 -1.92 -0.48 114.58 116.74 3kxp h GLU 266 Ca 0.41 0.05 0.02 0.00 0.34 0.00 0.00 59.36 60.18 3kxp h GLU 266 Cb 0.37 0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 29.14 3kxp h GLU 266 CO -0.17 -0.43 0.58 0.82 -1.16 0.00 0.00 179.01 178.65 3kxp h ILE 267 N -0.95 1.19 0.20 3.13 2.04 -1.95 -1.67 117.51 119.51 3kxp h ILE 267 Ca -0.08 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 3kxp h ILE 267 Cb 0.64 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 3kxp h ILE 267 CO 0.13 0.21 -0.10 0.74 0.00 0.00 0.00 178.15 179.13 3kxp h THR 268 N 1.15 0.80 -0.65 -0.27 2.02 -1.14 0.90 112.91 115.71 3kxp h THR 268 Ca 0.33 -0.01 0.07 0.00 0.77 0.00 0.00 66.41 67.58 3kxp h THR 268 Cb -0.07 0.81 -0.06 0.00 -1.74 0.00 0.00 68.15 67.09 3kxp h THR 268 CO -0.08 0.00 0.33 0.25 0.37 0.00 0.00 175.52 176.39 3kxp h LEU 269 N -0.28 0.45 -0.61 2.58 5.85 -0.79 -1.42 115.31 121.09 3kxp h LEU 269 Ca -0.03 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 3kxp h LEU 269 Cb 0.21 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3kxp h LEU 269 CO 0.05 0.28 0.05 0.50 -0.34 0.00 0.00 178.44 178.97 3kxp h LYS 270 N 0.59 1.05 -0.42 1.25 3.11 -0.97 -1.36 116.57 119.82 3kxp h LYS 270 Ca 0.31 -0.31 -0.04 0.00 -2.81 0.00 0.00 60.65 57.80 3kxp h LYS 270 Cb 0.27 -0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.37 3kxp h LYS 270 CO -0.23 1.00 0.08 0.00 -2.81 0.00 0.00 179.45 177.50 3kxp h ALA 271 N 1.00 1.37 0.02 5.00 0.00 -0.36 -1.27 119.26 125.02 3kxp h ALA 271 Ca 0.18 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kxp h ALA 271 Cb 0.50 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3kxp h ALA 271 CO 0.02 0.45 -0.01 0.82 0.00 0.00 0.00 179.25 180.53 3kxp h ILE 272 N 0.61 1.28 -0.87 0.00 2.04 -0.83 -2.83 117.51 116.90 3kxp h ILE 272 Ca 0.14 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.07 3kxp h ILE 272 Cb 0.26 1.90 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 3kxp h ILE 272 CO -0.00 0.24 0.56 0.71 0.00 0.00 0.00 178.15 179.65 3kxp h THR 273 N -0.43 1.23 -0.81 -0.27 1.35 -1.01 -1.27 112.91 111.71 3kxp h THR 273 Ca -0.00 -0.45 0.01 0.00 -0.55 0.00 0.00 66.41 65.41 3kxp h THR 273 Cb 0.41 -0.03 -0.04 0.00 -1.73 0.00 0.00 68.15 66.76 3kxp h THR 273 CO 0.00 0.23 0.52 0.78 -0.25 0.00 0.00 175.52 176.81 3kxp h ASN 274 N 1.19 0.93 0.44 5.36 2.35 -1.27 -0.50 115.58 124.08 3kxp h ASN 274 Ca 0.32 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 56.01 3kxp h ASN 274 Cb -0.10 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.04 3kxp h ASN 274 CO -0.07 0.69 -0.21 0.15 -1.65 0.00 0.00 177.43 176.34 3kxp h PHE 275 N 1.10 -0.55 -0.02 1.19 -0.00 -1.10 -3.13 116.94 114.43 3kxp h PHE 275 Ca 0.29 -0.01 -0.15 0.00 -0.00 0.00 0.00 57.97 58.10 3kxp h PHE 275 Cb -0.11 0.18 -0.02 0.00 -0.00 0.00 0.00 35.95 36.01 3kxp h PHE 275 CO 0.00 -0.23 -0.69 -0.84 -0.00 0.00 0.00 178.31 176.55 3kxp h ILE 276 N -1.01 1.45 -0.17 1.41 3.07 -1.25 -3.23 117.51 117.79 3kxp h ILE 276 Ca -0.06 -2.26 0.00 0.00 1.55 0.00 0.00 64.86 64.09 3kxp h ILE 276 Cb 0.56 2.21 0.00 0.00 -0.27 0.00 0.00 36.82 39.32 3kxp h ILE 276 CO 0.10 0.66 0.00 0.47 -1.05 0.00 0.00 178.15 178.32 3kxp n ASP 277 N -3.77 1.30 0.00 2.16 8.00 -0.20 -5.10 116.55 118.94 3kxp n ASP 277 Ca -0.02 -1.75 0.13 0.00 0.71 0.00 0.00 54.79 53.86 3kxp n ASP 277 Cb 0.68 -0.11 0.78 0.00 -0.02 0.00 0.00 41.12 42.45 3kxp n ASP 277 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81