#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k3r n ASN 2 N 0.00 0.43 0.00 6.12 5.15 -1.26 -5.00 115.26 120.70 1k3r n ASN 2 Ca 0.00 -0.08 0.00 0.00 -0.60 0.00 0.00 54.58 53.90 1k3r n ASN 2 Cb 0.00 0.25 0.00 0.00 -0.53 0.00 0.00 39.78 39.50 1k3r n ASN 2 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1k3r n ARG 3 N -0.30 0.00 -0.07 1.20 1.74 -1.26 -5.09 116.66 112.89 1k3r n ARG 3 Ca 0.00 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.06 1k3r n ARG 3 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 1k3r n ARG 3 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1k3r n VAL 4 N -2.27 0.00 -2.22 1.55 0.31 -1.26 -4.73 118.33 109.71 1k3r n VAL 4 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 1k3r n VAL 4 Cb 0.00 -0.02 -0.02 0.00 -0.91 0.00 0.00 33.84 32.88 1k3r n VAL 4 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1k3r s ASP 5 N 0.40 6.81 -0.14 4.52 1.11 -0.90 -4.86 116.67 123.62 1k3r s ASP 5 Ca 0.06 1.99 -0.07 0.00 0.18 0.00 0.00 52.55 54.71 1k3r s ASP 5 Cb -0.06 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.35 1k3r s ASP 5 CO 0.03 -0.82 0.11 -0.76 1.18 0.00 0.00 175.17 174.91 1k3r s LEU 6 N 3.54 4.19 -0.12 1.23 1.43 -1.26 -0.68 118.68 127.01 1k3r s LEU 6 Ca 0.64 0.34 0.02 0.00 -1.03 0.00 0.00 54.13 54.10 1k3r s LEU 6 Cb -0.28 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 43.92 1k3r s LEU 6 CO 0.23 0.33 -0.17 -0.94 0.23 0.00 0.00 176.35 176.03 1k3r s SER 7 N -0.57 2.66 -0.07 2.29 1.04 -0.13 -1.72 113.70 117.21 1k3r s SER 7 Ca 0.12 -0.49 -0.10 0.00 0.48 0.00 0.00 55.95 55.96 1k3r s SER 7 Cb -0.12 -1.21 -0.05 0.00 0.10 0.00 0.00 66.02 64.75 1k3r s SER 7 CO 0.02 0.03 0.25 -0.76 0.98 0.00 0.00 173.24 173.76 1k3r s LEU 8 N 0.96 4.42 -0.19 2.42 1.02 -0.33 -0.61 118.68 126.37 1k3r s LEU 8 Ca -0.06 0.67 -0.01 0.00 0.02 0.00 0.00 54.13 54.75 1k3r s LEU 8 Cb -0.15 -2.28 0.00 0.00 0.02 0.00 0.00 46.19 43.79 1k3r s LEU 8 CO -0.02 0.37 -0.13 -0.36 0.02 0.00 0.00 176.35 176.24 1k3r s PHE 9 N -1.04 2.85 -0.02 0.29 0.40 0.54 0.04 117.98 121.04 1k3r s PHE 9 Ca 0.18 -1.19 0.05 0.00 -0.60 0.00 0.00 56.93 55.38 1k3r s PHE 9 Cb -0.14 -1.98 -0.01 0.00 0.51 0.00 0.00 43.02 41.40 1k3r s PHE 9 CO 0.08 -0.60 -0.17 0.96 0.70 0.00 0.00 175.22 176.19 1k3r s ILE 10 N 1.19 1.33 0.19 0.64 -4.36 0.65 -2.11 121.20 118.73 1k3r s ILE 10 Ca 0.02 -0.71 -0.30 0.00 -0.26 0.00 0.00 60.65 59.40 1k3r s ILE 10 Cb -0.14 -1.11 -0.09 0.00 1.25 0.00 0.00 42.46 42.37 1k3r s ILE 10 CO -0.05 0.38 1.33 -2.16 0.24 0.00 0.00 174.94 174.68 1k3r s PRO 11 N -0.30 4.37 0.00 0.37 0.04 -1.26 -1.38 135.00 136.83 1k3r s PRO 11 Ca 0.04 2.08 0.08 0.00 0.04 0.00 0.00 61.00 63.24 1k3r s PRO 11 Cb -0.07 -3.20 0.47 0.00 0.04 0.00 0.00 34.50 31.74 1k3r s PRO 11 CO -0.00 -0.29 0.91 -0.40 0.04 0.00 0.00 177.00 177.26 1k3r n ASP 12 N 2.80 0.00 -1.32 6.66 5.75 0.10 -1.67 116.55 128.88 1k3r n ASP 12 Ca 0.07 -0.28 0.11 0.00 -0.01 0.00 0.00 54.79 54.68 1k3r n ASP 12 Cb 0.42 0.00 0.31 0.00 -1.03 0.00 0.00 41.12 40.83 1k3r n ASP 12 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1k3r n SER 13 N -0.97 3.84 0.31 -1.12 3.41 -1.26 -1.49 113.62 116.33 1k3r n SER 13 Ca 0.06 -2.05 0.19 0.00 -0.26 0.00 0.00 58.87 56.82 1k3r n SER 13 Cb 0.03 -0.48 0.96 0.00 -0.26 0.00 0.00 64.21 64.46 1k3r n SER 13 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1k3r h LEU 14 N 4.08 0.00 -2.20 1.04 8.10 -1.71 -2.42 115.31 122.20 1k3r h LEU 14 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1k3r h LEU 14 Cb 0.99 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.21 1k3r h LEU 14 CO 0.02 0.02 0.00 0.35 -4.11 0.00 0.00 178.44 174.72 1k3r n THR 15 N -3.18 0.48 -0.24 0.15 -2.24 -1.26 -4.68 114.28 103.31 1k3r n THR 15 Ca -0.02 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 1k3r n THR 15 Cb 0.18 0.94 0.12 0.00 -2.10 0.00 0.00 70.33 69.46 1k3r n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k3r h ALA 16 N 3.04 0.96 0.00 6.98 0.00 -1.74 -2.82 119.26 125.69 1k3r h ALA 16 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1k3r h ALA 16 Cb 0.75 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1k3r h ALA 16 CO 0.00 0.02 0.00 0.93 0.00 0.00 0.00 179.25 180.20 1k3r h GLU 17 N 0.67 0.00 -5.48 0.00 3.07 -1.83 -3.43 114.58 107.58 1k3r h GLU 17 Ca 0.33 0.00 -0.64 0.00 -0.50 0.00 0.00 59.36 58.55 1k3r h GLU 17 Cb 0.28 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 28.05 1k3r h GLU 17 CO -0.22 0.00 0.15 -0.08 -1.40 0.00 0.00 179.01 177.46 1k3r s THR 18 N -3.21 4.84 0.02 1.13 -1.32 -1.06 -4.95 115.64 111.09 1k3r s THR 18 Ca 0.08 0.36 -0.21 0.00 -1.21 0.00 0.00 61.69 60.71 1k3r s THR 18 Cb 0.09 -4.16 -0.16 0.00 -1.51 0.00 0.00 72.50 66.76 1k3r s THR 18 CO 0.60 -0.48 1.30 1.23 -2.21 0.00 0.00 174.62 175.06 1k3r h GLY 19 N 9.59 0.33 -5.02 6.08 0.00 -1.85 -3.45 103.07 108.75 1k3r h GLY 19 Ca -0.26 -0.36 -0.53 0.00 0.00 0.00 0.00 47.33 46.18 1k3r h GLY 19 CO 0.87 0.33 1.08 -0.35 0.00 0.00 0.00 176.54 178.46 1k3r s ASP 20 N -6.12 6.51 0.22 0.19 -1.08 -1.26 -4.92 116.67 110.22 1k3r s ASP 20 Ca -0.14 2.61 -0.05 0.00 -0.52 0.00 0.00 52.55 54.45 1k3r s ASP 20 Cb 0.04 -2.56 0.19 0.00 -1.46 0.00 0.00 42.92 39.14 1k3r s ASP 20 CO 0.75 -0.96 1.65 0.25 0.52 0.00 0.00 175.17 177.38 1k3r h LEU 21 N 8.88 0.83 0.48 -1.34 5.85 -1.98 0.63 115.31 128.65 1k3r h LEU 21 Ca -0.45 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 57.98 1k3r h LEU 21 Cb 1.21 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.02 1k3r h LEU 21 CO 0.94 0.98 -0.23 0.50 -0.34 0.00 0.00 178.44 180.29 1k3r h LYS 22 N 0.74 -0.62 -0.72 1.25 3.64 -1.96 -0.84 116.57 118.07 1k3r h LYS 22 Ca 0.11 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.65 1k3r h LYS 22 Cb 0.66 0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.57 1k3r h LYS 22 CO 0.05 -0.38 0.47 0.82 -2.27 0.00 0.00 179.45 178.14 1k3r h ILE 23 N -0.70 0.90 -0.30 2.00 1.08 -1.93 -0.97 117.51 117.59 1k3r h ILE 23 Ca -0.07 -0.19 -0.15 0.00 -0.39 0.00 0.00 64.86 64.07 1k3r h ILE 23 Cb 0.52 0.30 -0.01 0.00 -3.07 0.00 0.00 36.82 34.56 1k3r h ILE 23 CO 0.11 0.10 -0.41 0.50 -0.69 0.00 0.00 178.15 177.76 1k3r h LYS 24 N 0.55 0.72 -0.13 2.37 3.64 -0.49 0.21 116.57 123.44 1k3r h LYS 24 Ca 0.34 -0.38 -0.19 0.00 -1.27 0.00 0.00 60.65 59.15 1k3r h LYS 24 Cb 0.57 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1k3r h LYS 24 CO -0.11 1.00 -0.69 1.79 -2.27 0.00 0.00 179.45 179.16 1k3r h THR 25 N 0.59 1.33 -0.46 1.00 1.35 0.04 -2.81 112.91 113.95 1k3r h THR 25 Ca 0.05 -2.00 -0.06 0.00 -0.55 0.00 0.00 66.41 63.85 1k3r h THR 25 Cb 0.95 1.98 -0.02 0.00 -1.73 0.00 0.00 68.15 69.33 1k3r h THR 25 CO 0.09 0.62 0.06 0.22 -0.25 0.00 0.00 175.52 176.25 1k3r h TYR 26 N 0.39 0.75 0.20 4.73 3.20 -1.04 -1.84 116.97 123.36 1k3r h TYR 26 Ca -0.02 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.78 1k3r h TYR 26 Cb 1.27 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 39.30 1k3r h TYR 26 CO 0.06 0.67 -0.26 -0.22 -1.64 0.00 0.00 178.16 176.77 1k3r h LYS 27 N 0.69 -0.49 -0.27 1.82 3.64 -0.75 -1.98 116.57 119.23 1k3r h LYS 27 Ca 0.15 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1k3r h LYS 27 Cb 0.34 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1k3r h LYS 27 CO 0.01 -0.33 0.10 0.28 -2.27 0.00 0.00 179.45 177.23 1k3r h VAL 28 N -0.51 1.12 -0.03 2.00 2.07 -1.25 -1.72 116.25 117.91 1k3r h VAL 28 Ca 0.01 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.08 1k3r h VAL 28 Cb 0.50 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1k3r h VAL 28 CO -0.10 0.14 -0.37 -0.37 0.02 0.00 0.00 177.57 176.89 1k3r h VAL 29 N 0.38 1.28 -0.52 2.57 -1.51 -0.74 -2.24 116.25 115.46 1k3r h VAL 29 Ca 0.09 -1.32 -0.02 0.00 -1.23 0.00 0.00 66.70 64.22 1k3r h VAL 29 Cb 0.10 1.67 -0.03 0.00 -2.13 0.00 0.00 31.29 30.90 1k3r h VAL 29 CO -0.01 0.38 0.24 -0.07 -1.23 0.00 0.00 177.57 176.88 1k3r h LEU 30 N 0.06 0.66 -0.53 4.19 3.38 -0.60 0.31 115.31 122.79 1k3r h LEU 30 Ca 0.00 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 1k3r h LEU 30 Cb 0.69 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1k3r h LEU 30 CO 0.05 0.58 -0.33 0.40 0.09 0.00 0.00 178.44 179.23 1k3r h ILE 31 N 0.74 1.28 -0.12 1.22 2.04 -1.38 0.19 117.51 121.46 1k3r h ILE 31 Ca 0.18 -1.50 -0.00 0.00 1.00 0.00 0.00 64.86 64.54 1k3r h ILE 31 Cb 0.10 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1k3r h ILE 31 CO -0.02 0.50 0.07 0.00 0.00 0.00 0.00 178.15 178.69 1k3r h ALA 32 N 0.92 0.16 -0.54 1.87 0.00 -0.95 -0.45 119.26 120.27 1k3r h ALA 32 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1k3r h ALA 32 Cb 0.89 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1k3r h ALA 32 CO 0.08 -0.30 0.34 0.00 0.00 0.00 0.00 179.25 179.37 1k3r h ARG 33 N 0.10 0.72 -0.61 0.00 3.08 -0.72 -0.55 114.38 116.41 1k3r h ARG 33 Ca 0.04 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1k3r h ARG 33 Cb 0.08 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 1k3r h ARG 33 CO -0.01 0.50 0.39 0.00 -1.07 0.00 0.00 179.97 179.78 1k3r h ALA 34 N 1.18 0.77 -0.50 0.04 0.00 -0.35 0.30 119.26 120.69 1k3r h ALA 34 Ca 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1k3r h ALA 34 Cb -0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1k3r h ALA 34 CO -0.04 0.22 0.26 0.00 0.00 0.00 0.00 179.25 179.68 1k3r h ALA 35 N 1.21 0.65 -0.13 0.00 0.00 -0.85 -2.78 119.26 117.36 1k3r h ALA 35 Ca 0.22 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1k3r h ALA 35 Cb -0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1k3r h ALA 35 CO -0.05 0.19 -0.57 0.77 0.00 0.00 0.00 179.25 179.60 1k3r h SER 36 N 0.67 0.43 -0.68 0.00 0.02 -0.44 0.17 113.55 113.72 1k3r h SER 36 Ca 0.17 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1k3r h SER 36 Cb 0.09 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 1k3r h SER 36 CO -0.02 0.91 0.44 0.40 -1.14 0.00 0.00 176.83 177.42 1k3r h ILE 37 N 0.30 1.18 -0.84 3.27 2.04 -0.27 -2.54 117.51 120.65 1k3r h ILE 37 Ca 0.00 -0.36 -0.38 0.00 1.00 0.00 0.00 64.86 65.13 1k3r h ILE 37 Cb 1.08 0.19 -0.22 0.00 -0.74 0.00 0.00 36.82 37.13 1k3r h ILE 37 CO 0.10 0.18 0.48 0.49 0.00 0.00 0.00 178.15 179.40 1k3r n PHE 38 N -4.59 2.65 -3.16 1.37 3.01 -1.06 -4.93 117.46 110.74 1k3r n PHE 38 Ca 0.06 -1.52 -0.22 0.00 1.01 0.00 0.00 57.45 56.79 1k3r n PHE 38 Cb 0.03 -0.81 0.01 0.00 -0.01 0.00 0.00 39.48 38.70 1k3r n PHE 38 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1k3r n GLY 39 N -0.68 -0.50 3.72 1.37 0.00 -0.96 -4.93 105.19 103.22 1k3r n GLY 39 Ca 0.49 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 46.18 1k3r n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k3r s VAL 40 N -2.95 2.60 0.10 1.61 1.01 0.57 -4.73 120.40 118.60 1k3r s VAL 40 Ca 0.32 0.44 0.05 0.00 0.00 0.00 0.00 61.98 62.80 1k3r s VAL 40 Cb -0.16 -3.28 -0.22 0.00 0.00 0.00 0.00 36.38 32.71 1k3r s VAL 40 CO 0.40 0.04 1.20 0.11 0.00 0.00 0.00 175.10 176.85 1k3r h LYS 41 N 6.49 0.05 -2.76 2.72 6.56 -1.59 -3.36 116.57 124.67 1k3r h LYS 41 Ca -0.43 -0.08 -0.12 0.00 -1.06 0.00 0.00 60.65 58.96 1k3r h LYS 41 Cb 1.21 0.03 -0.24 0.00 -0.57 0.00 0.00 32.23 32.66 1k3r h LYS 41 CO 0.89 1.00 -0.24 0.50 -2.06 0.00 0.00 179.45 179.54 1k3r s ARG 42 N -2.69 0.50 -0.17 3.15 3.52 -1.12 -1.26 118.95 120.87 1k3r s ARG 42 Ca -0.01 0.51 -0.00 0.00 -0.13 0.00 0.00 55.73 56.10 1k3r s ARG 42 Cb 0.09 0.24 0.00 0.00 -1.56 0.00 0.00 34.95 33.72 1k3r s ARG 42 CO 0.83 -0.07 -0.14 0.42 -0.81 0.00 0.00 175.30 175.53 1k3r s ILE 43 N 0.08 2.66 -0.33 4.11 1.01 -0.38 -1.19 121.20 127.15 1k3r s ILE 43 Ca -0.01 -0.76 -0.08 0.00 0.00 0.00 0.00 60.65 59.80 1k3r s ILE 43 Cb -0.03 -2.14 0.02 0.00 0.01 0.00 0.00 42.46 40.33 1k3r s ILE 43 CO 0.01 0.51 0.12 -0.69 0.00 0.00 0.00 174.94 174.89 1k3r s VAL 44 N 1.00 4.06 -0.28 2.92 1.01 0.11 -0.54 120.40 128.67 1k3r s VAL 44 Ca -0.02 -0.89 -0.21 0.00 0.00 0.00 0.00 61.98 60.86 1k3r s VAL 44 Cb -0.15 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 1k3r s VAL 44 CO -0.03 -0.10 0.69 -0.63 0.00 0.00 0.00 175.10 175.03 1k3r s ILE 45 N 1.48 4.91 0.29 2.22 1.01 -0.48 -0.26 121.20 130.38 1k3r s ILE 45 Ca 0.01 1.08 0.10 0.00 0.00 0.00 0.00 60.65 61.84 1k3r s ILE 45 Cb -0.19 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.21 1k3r s ILE 45 CO 0.04 -0.11 -0.06 -0.72 0.00 0.00 0.00 174.94 174.09 1k3r s TYR 46 N 2.68 2.53 -0.29 3.97 -0.85 -0.48 -3.25 117.35 121.67 1k3r s TYR 46 Ca 0.28 -0.32 -0.29 0.00 -0.52 0.00 0.00 57.07 56.22 1k3r s TYR 46 Cb -0.15 -1.22 0.01 0.00 0.38 0.00 0.00 41.96 40.98 1k3r s TYR 46 CO 0.11 0.61 1.05 -1.58 -1.52 0.00 0.00 175.55 174.21 1k3r s HIS 47 N -2.44 3.22 0.29 -3.49 5.65 -0.31 -0.72 115.29 117.50 1k3r s HIS 47 Ca 0.32 1.28 -0.07 0.00 0.25 0.00 0.00 55.06 56.84 1k3r s HIS 47 Cb -0.04 -3.52 -0.06 0.00 -1.18 0.00 0.00 32.58 27.78 1k3r s HIS 47 CO 0.18 -0.65 0.59 0.34 -0.65 0.00 0.00 174.74 174.55 1k3r s ASP 48 N 1.49 6.52 0.16 9.88 3.68 -1.26 -4.10 116.67 133.03 1k3r s ASP 48 Ca 0.44 0.86 -0.17 0.00 2.13 0.00 0.00 52.55 55.81 1k3r s ASP 48 Cb -0.13 -2.20 0.11 0.00 -1.45 0.00 0.00 42.92 39.25 1k3r s ASP 48 CO 0.12 -0.20 1.22 0.47 0.13 0.00 0.00 175.17 176.91 1k3r n ASP 49 N -0.76 -0.61 -3.36 -0.34 10.43 -1.26 -4.52 116.55 116.12 1k3r n ASP 49 Ca -0.00 1.38 0.00 0.00 2.57 0.00 0.00 54.79 58.74 1k3r n ASP 49 Cb 0.53 -0.27 0.00 0.00 1.84 0.00 0.00 41.12 43.22 1k3r n ASP 49 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1k3r n ALA 50 N -3.53 0.00 -2.30 2.24 0.00 -1.26 -5.01 120.51 110.65 1k3r n ALA 50 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.20 1k3r n ALA 50 Cb 0.28 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.69 1k3r n ALA 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1k3r s ASP 51 N -1.78 6.54 0.36 0.00 1.01 -1.26 -5.04 116.67 116.50 1k3r s ASP 51 Ca 0.00 1.00 0.02 0.00 0.71 0.00 0.00 52.55 54.29 1k3r s ASP 51 Cb 0.00 -2.26 -0.01 0.00 1.01 0.00 0.00 42.92 41.66 1k3r s ASP 51 CO 0.00 -0.28 0.09 0.61 0.21 0.00 0.00 175.17 175.80 1k3r n GLY 52 N -0.93 3.47 2.22 0.21 0.00 -1.26 -4.69 105.19 104.19 1k3r n GLY 52 Ca 0.01 -2.16 -0.09 0.00 0.00 0.00 0.00 46.02 43.78 1k3r n GLY 52 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1k3r n GLU 53 N -0.85 2.39 -0.23 1.61 1.02 -0.56 -4.90 120.64 119.14 1k3r n GLU 53 Ca -0.08 -3.66 0.02 0.00 -0.02 0.00 0.00 57.16 53.42 1k3r n GLU 53 Cb 0.52 -1.77 0.11 0.00 -0.02 0.00 0.00 31.44 30.28 1k3r n GLU 53 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k3r h ALA 54 N 2.18 0.63 0.07 0.62 0.00 -1.97 0.40 119.26 121.19 1k3r h ALA 54 Ca 0.08 0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1k3r h ALA 54 Cb 1.41 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 19.56 1k3r h ALA 54 CO 0.41 -0.41 -0.44 -0.09 0.00 0.00 0.00 179.25 178.72 1k3r h ARG 55 N 0.08 -0.58 -0.46 0.00 2.43 -1.96 0.51 114.38 114.41 1k3r h ARG 55 Ca 0.35 0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.64 1k3r h ARG 55 Cb 0.59 0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 30.20 1k3r h ARG 55 CO -0.61 -0.39 0.07 0.35 -1.51 0.00 0.00 179.97 177.87 1k3r h PHE 56 N -0.60 0.10 -0.34 2.20 3.57 -1.76 0.17 116.94 120.27 1k3r h PHE 56 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1k3r h PHE 56 Cb 0.62 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1k3r h PHE 56 CO -0.44 -0.03 0.23 0.82 -2.23 0.00 0.00 178.31 176.65 1k3r h ILE 57 N 0.19 1.09 0.11 1.41 2.04 -0.46 -1.15 117.51 120.74 1k3r h ILE 57 Ca 0.23 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 1k3r h ILE 57 Cb 0.30 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1k3r h ILE 57 CO -0.32 0.08 -0.05 -0.09 0.00 0.00 0.00 178.15 177.77 1k3r h ARG 58 N 0.46 -0.14 -0.22 2.37 2.43 0.51 -2.21 114.38 117.58 1k3r h ARG 58 Ca 0.12 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.36 1k3r h ARG 58 Cb -0.05 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.46 1k3r h ARG 58 CO -0.03 -0.08 -0.27 -0.44 -1.51 0.00 0.00 179.97 177.64 1k3r h ASP 59 N -0.17 -0.86 -0.18 -3.80 5.19 -0.33 0.09 116.42 116.37 1k3r h ASP 59 Ca -0.02 0.14 0.02 0.00 -0.62 0.00 0.00 57.03 56.55 1k3r h ASP 59 Cb 0.13 0.39 -0.02 0.00 0.18 0.00 0.00 39.33 40.01 1k3r h ASP 59 CO 0.03 -0.31 0.07 0.40 -3.12 0.00 0.00 179.24 176.31 1k3r h ILE 60 N -0.29 0.97 -0.66 0.35 1.08 -1.19 0.25 117.51 118.02 1k3r h ILE 60 Ca 0.13 -0.05 0.05 0.00 -0.39 0.00 0.00 64.86 64.59 1k3r h ILE 60 Cb 0.49 0.80 -0.05 0.00 -3.07 0.00 0.00 36.82 34.98 1k3r h ILE 60 CO -0.38 0.03 0.38 -0.07 -0.69 0.00 0.00 178.15 177.41 1k3r h LEU 61 N 0.16 0.57 -0.35 1.44 3.38 -0.93 -1.27 115.31 118.31 1k3r h LEU 61 Ca 0.08 0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 1k3r h LEU 61 Cb 0.04 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1k3r h LEU 61 CO -0.07 0.38 -0.40 0.74 0.09 0.00 0.00 178.44 179.18 1k3r h THR 62 N 0.71 1.28 -0.62 0.22 2.02 -0.77 -2.08 112.91 113.67 1k3r h THR 62 Ca 0.29 -1.57 0.07 0.00 0.77 0.00 0.00 66.41 65.97 1k3r h THR 62 Cb 0.14 1.46 -0.06 0.00 -1.74 0.00 0.00 68.15 67.95 1k3r h THR 62 CO -0.16 0.52 0.29 0.22 0.37 0.00 0.00 175.52 176.76 1k3r h TYR 63 N 0.69 0.53 -0.49 3.16 3.20 -0.49 0.36 116.97 123.92 1k3r h TYR 63 Ca 0.05 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.86 1k3r h TYR 63 Cb 0.99 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.10 1k3r h TYR 63 CO 0.07 0.21 -0.04 0.52 -1.64 0.00 0.00 178.16 177.27 1k3r h MET 64 N 0.53 0.85 0.00 1.82 2.86 -1.09 -2.90 114.93 117.01 1k3r h MET 64 Ca 0.29 -0.26 -0.13 0.00 -2.06 0.00 0.00 59.70 57.54 1k3r h MET 64 Cb 0.28 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1k3r h MET 64 CO -0.24 0.88 -0.63 0.22 1.06 0.00 0.00 176.91 178.20 1k3r h ASP 65 N 0.78 0.00 -3.06 1.22 1.82 -0.73 -3.45 116.42 113.00 1k3r h ASP 65 Ca 0.14 0.00 -0.53 0.00 -0.39 0.00 0.00 57.03 56.25 1k3r h ASP 65 Cb 0.52 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.56 1k3r h ASP 65 CO 0.03 0.63 0.71 -0.89 -1.61 0.00 0.00 179.24 178.11 1k3r s THR 66 N -3.16 3.32 0.61 2.25 2.01 0.06 -4.95 115.64 115.78 1k3r s THR 66 Ca 0.01 0.97 -0.18 0.00 0.31 0.00 0.00 61.69 62.80 1k3r s THR 66 Cb 0.10 -3.62 -0.06 0.00 0.01 0.00 0.00 72.50 68.93 1k3r s THR 66 CO 0.75 0.08 0.66 -2.65 -0.69 0.00 0.00 174.62 172.78 1k3r n PRO 67 N 3.78 0.57 -0.20 4.92 -0.02 -1.26 -4.75 135.00 138.04 1k3r n PRO 67 Ca 0.11 0.23 -0.02 0.00 -2.02 0.00 0.00 63.50 61.80 1k3r n PRO 67 Cb 0.43 -1.87 0.09 0.00 -0.02 0.00 0.00 33.50 32.13 1k3r n PRO 67 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1k3r h GLN 68 N 0.17 0.47 0.00 -0.52 7.50 -1.90 -2.18 115.11 118.65 1k3r h GLN 68 Ca -0.46 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 58.66 1k3r h GLN 68 Cb 1.38 -0.11 0.00 0.00 0.05 0.00 0.00 27.48 28.80 1k3r h GLN 68 CO 0.47 0.31 0.00 2.48 -1.50 0.00 0.00 178.83 180.60 1k3r n TYR 69 N -4.92 0.00 0.02 2.96 0.18 -1.26 -3.09 117.16 111.05 1k3r n TYR 69 Ca 0.07 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.86 1k3r n TYR 69 Cb 0.21 -0.01 -0.01 0.00 -0.38 0.00 0.00 39.34 39.16 1k3r n TYR 69 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1k3r n LEU 70 N -1.01 0.02 0.03 -3.48 4.77 -0.83 -4.73 117.00 111.77 1k3r n LEU 70 Ca 0.08 -0.26 -0.01 0.00 -0.03 0.00 0.00 56.01 55.79 1k3r n LEU 70 Cb 0.04 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.40 1k3r n LEU 70 CO 0.06 0.01 0.84 0.08 -1.33 0.00 0.00 177.39 177.05 1k3r h ARG 71 N 0.00 0.46 0.00 3.23 0.11 -1.47 0.76 114.38 117.46 1k3r h ARG 71 Ca 0.00 -0.13 -0.02 0.00 0.10 0.00 0.00 59.98 59.93 1k3r h ARG 71 Cb 0.04 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.06 1k3r h ARG 71 CO 0.00 0.59 -0.07 0.00 0.10 0.00 0.00 179.97 180.58 1k3r h ARG 72 N 0.42 0.00 0.00 0.08 -0.00 -1.83 1.10 114.38 114.15 1k3r h ARG 72 Ca 0.08 0.00 -0.18 0.00 -0.50 0.00 0.00 59.98 59.38 1k3r h ARG 72 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.42 1k3r h ARG 72 CO 0.03 0.07 -1.89 1.63 0.00 0.00 0.00 179.97 179.81 1k3r n LYS 73 N -3.26 0.65 0.02 0.04 5.02 -0.79 -4.31 118.16 115.54 1k3r n LYS 73 Ca -0.00 0.02 0.06 0.00 -2.02 0.00 0.00 58.31 56.36 1k3r n LYS 73 Cb 0.29 -1.63 -0.10 0.00 -0.02 0.00 0.00 35.03 33.57 1k3r n LYS 73 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1k3r n VAL 74 N -2.65 0.61 -4.05 -0.18 0.31 0.19 -4.85 118.33 107.71 1k3r n VAL 74 Ca -0.15 -0.60 -0.33 0.00 -0.01 0.00 0.00 64.34 63.25 1k3r n VAL 74 Cb 0.85 -0.31 -0.15 0.00 -0.91 0.00 0.00 33.84 33.32 1k3r n VAL 74 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1k3r s PHE 75 N -3.22 3.14 -1.54 3.52 0.40 0.38 -4.95 117.98 115.72 1k3r s PHE 75 Ca -0.05 -2.05 0.00 0.00 -0.60 0.00 0.00 56.93 54.23 1k3r s PHE 75 Cb 0.11 -1.96 0.00 0.00 0.51 0.00 0.00 43.02 41.68 1k3r s PHE 75 CO 0.85 -0.84 0.27 -2.30 0.70 0.00 0.00 175.22 173.89 1k3r n PRO 76 N 4.52 0.00 -3.64 0.24 -0.02 -1.26 -4.66 135.00 130.17 1k3r n PRO 76 Ca -0.16 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.18 1k3r n PRO 76 Cb 0.44 -1.35 -0.01 0.00 -0.02 0.00 0.00 33.50 32.57 1k3r n PRO 76 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1k3r n ILE 77 N -0.73 -0.73 -3.61 4.25 0.13 -1.26 -4.91 119.36 112.50 1k3r n ILE 77 Ca 0.00 -0.19 -0.21 0.00 -1.10 0.00 0.00 62.75 61.25 1k3r n ILE 77 Cb 0.00 -0.64 -0.01 0.00 -0.84 0.00 0.00 39.64 38.15 1k3r n ILE 77 CO 0.00 0.00 0.00 -0.04 2.80 0.00 0.00 176.55 179.31 1k3r s MET 78 N -5.47 3.27 0.00 9.51 -1.94 -1.26 -4.83 119.30 118.58 1k3r s MET 78 Ca 0.12 -0.80 0.00 0.00 -1.71 0.00 0.00 55.69 53.30 1k3r s MET 78 Cb -0.07 -2.81 0.00 0.00 2.01 0.00 0.00 34.83 33.96 1k3r s MET 78 CO 0.34 0.18 0.00 -2.13 -0.01 0.00 0.00 175.02 173.40 1k3r n ARG 79 N -1.61 0.00 -0.32 2.03 0.63 -1.26 -0.52 116.66 115.61 1k3r n ARG 79 Ca -0.04 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.03 1k3r n ARG 79 Cb 0.57 0.00 0.30 0.00 0.45 0.00 0.00 32.46 33.78 1k3r n ARG 79 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1k3r h GLU 80 N 0.00 0.08 -0.81 -0.14 4.57 -2.01 -0.16 114.58 116.11 1k3r h GLU 80 Ca 0.00 -0.00 -0.49 0.00 -1.18 0.00 0.00 59.36 57.68 1k3r h GLU 80 Cb 0.00 -0.02 -0.27 0.00 -0.16 0.00 0.00 28.75 28.30 1k3r h GLU 80 CO 0.00 0.05 0.35 1.28 -1.18 0.00 0.00 179.01 179.51 1k3r n LEU 81 N -5.37 6.17 0.13 1.64 4.77 0.32 -4.71 117.00 119.95 1k3r n LEU 81 Ca 0.23 -4.02 -0.01 0.00 -0.03 0.00 0.00 56.01 52.18 1k3r n LEU 81 Cb 0.74 -0.77 0.26 0.00 -2.33 0.00 0.00 43.42 41.33 1k3r n LEU 81 CO -0.01 1.38 0.66 0.07 -1.33 0.00 0.00 177.39 178.16 1k3r h LYS 82 N 1.47 0.15 -0.16 3.23 2.10 -1.09 -2.89 116.57 119.36 1k3r h LYS 82 Ca 0.49 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 59.08 1k3r h LYS 82 Cb 1.75 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.08 1k3r h LYS 82 CO 1.04 0.54 0.00 0.72 -2.00 0.00 0.00 179.45 179.75 1k3r n HIS 83 N -4.03 0.20 0.08 0.07 8.25 -1.26 -4.12 115.22 114.41 1k3r n HIS 83 Ca -0.02 -0.10 0.03 0.00 -0.26 0.00 0.00 57.72 57.37 1k3r n HIS 83 Cb 0.47 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.73 1k3r n HIS 83 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1k3r n VAL 84 N 0.34 0.81 0.41 1.59 3.14 -1.09 -0.42 118.33 123.10 1k3r n VAL 84 Ca 0.16 0.62 0.13 0.00 -2.96 0.00 0.00 64.34 62.29 1k3r n VAL 84 Cb 0.34 -1.62 0.44 0.00 -1.06 0.00 0.00 33.84 31.94 1k3r n VAL 84 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1k3r h GLY 85 N 0.00 0.00 -3.05 7.55 0.00 -1.84 -3.14 103.07 102.59 1k3r h GLY 85 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1k3r h GLY 85 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.83 1k3r n ILE 86 N -2.58 2.43 -2.46 2.60 -6.64 0.44 -4.96 119.36 108.19 1k3r n ILE 86 Ca 0.03 -1.43 -0.38 0.00 -1.77 0.00 0.00 62.75 59.20 1k3r n ILE 86 Cb 0.37 -0.16 -0.04 0.00 -1.44 0.00 0.00 39.64 38.37 1k3r n ILE 86 CO 0.00 0.00 0.00 -0.76 -1.77 0.00 0.00 176.55 174.02 1k3r s LEU 87 N -2.52 4.28 0.47 7.28 1.43 -1.19 -4.96 118.68 123.47 1k3r s LEU 87 Ca 0.51 2.19 -0.22 0.00 -1.03 0.00 0.00 54.13 55.58 1k3r s LEU 87 Cb 0.38 -3.97 -0.08 0.00 0.03 0.00 0.00 46.19 42.55 1k3r s LEU 87 CO 0.17 -0.43 1.09 -2.16 0.23 0.00 0.00 176.35 175.25 1k3r s PRO 88 N -2.12 3.81 0.90 1.29 0.04 -1.26 -5.00 135.00 132.66 1k3r s PRO 88 Ca 0.53 1.56 -0.11 0.00 0.04 0.00 0.00 61.00 63.03 1k3r s PRO 88 Cb -0.27 -2.29 0.14 0.00 0.04 0.00 0.00 34.50 32.12 1k3r s PRO 88 CO 0.35 -0.46 1.11 -1.25 0.04 0.00 0.00 177.00 176.79 1k3r s PRO 89 N -2.89 1.15 -0.29 0.56 0.04 -1.26 -5.02 135.00 127.29 1k3r s PRO 89 Ca 0.65 1.29 -0.01 0.00 0.04 0.00 0.00 61.00 62.96 1k3r s PRO 89 Cb -0.23 -1.76 0.09 0.00 0.04 0.00 0.00 34.50 32.64 1k3r s PRO 89 CO 0.27 -2.46 0.09 -1.17 0.04 0.00 0.00 177.00 173.77 1k3r s LEU 90 N -6.45 1.92 -1.10 -3.56 2.96 -1.26 -5.04 118.68 106.15 1k3r s LEU 90 Ca 0.65 -1.46 -0.15 0.00 -0.22 0.00 0.00 54.13 52.96 1k3r s LEU 90 Cb -0.21 -0.78 0.18 0.00 0.50 0.00 0.00 46.19 45.87 1k3r s LEU 90 CO 0.58 -0.39 1.27 -0.60 -1.32 0.00 0.00 176.35 175.89 1k3r s ARG 91 N 1.69 3.94 0.34 1.98 6.06 -1.26 -4.81 118.95 126.89 1k3r s ARG 91 Ca 0.07 -2.42 0.09 0.00 -2.50 0.00 0.00 55.73 50.97 1k3r s ARG 91 Cb -0.17 -4.93 -0.06 0.00 0.06 0.00 0.00 34.95 29.86 1k3r s ARG 91 CO -0.23 -1.68 -0.02 0.95 -2.50 0.00 0.00 175.30 171.83 1k3r s THR 92 N 1.47 2.52 0.43 4.11 -4.23 -1.26 -5.03 115.64 113.64 1k3r s THR 92 Ca 0.37 -2.04 0.10 0.00 -1.18 0.00 0.00 61.69 58.95 1k3r s THR 92 Cb -0.05 -2.76 0.29 0.00 1.34 0.00 0.00 72.50 71.33 1k3r s THR 92 CO -0.04 -0.20 2.03 -0.65 -0.54 0.00 0.00 174.62 175.22 1k3r h PRO 93 N 1.87 0.45 -0.01 3.99 0.11 -1.95 -0.52 132.00 135.94 1k3r h PRO 93 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1k3r h PRO 93 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1k3r h PRO 93 CO 0.68 0.30 0.00 -2.39 -0.21 0.00 0.00 178.00 176.38 1k3r n HIS 94 N -4.48 0.01 -2.78 0.65 1.44 -1.26 -3.96 115.22 104.84 1k3r n HIS 94 Ca 0.06 -0.01 -0.35 0.00 -2.01 0.00 0.00 57.72 55.42 1k3r n HIS 94 Cb 0.20 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.30 1k3r n HIS 94 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1k3r n HIS 95 N -0.71 3.37 -2.25 -1.40 8.25 -0.20 -4.58 115.22 117.70 1k3r n HIS 95 Ca 0.20 -3.23 -0.33 0.00 -0.26 0.00 0.00 57.72 54.11 1k3r n HIS 95 Cb 0.14 -0.87 -0.01 0.00 1.12 0.00 0.00 29.99 30.37 1k3r n HIS 95 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1k3r s PRO 96 N -3.92 3.63 0.22 -0.41 0.04 -1.25 -4.63 135.00 128.67 1k3r s PRO 96 Ca 0.44 1.12 0.11 0.00 0.04 0.00 0.00 61.00 62.71 1k3r s PRO 96 Cb 0.23 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 1k3r s PRO 96 CO -0.13 -0.54 -0.22 0.95 0.04 0.00 0.00 177.00 177.09 1k3r s THR 97 N -2.47 2.35 0.09 1.26 -4.23 -1.26 -4.88 115.64 106.49 1k3r s THR 97 Ca 0.62 -2.15 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 1k3r s THR 97 Cb -0.13 -2.16 0.00 0.00 1.34 0.00 0.00 72.50 71.54 1k3r s THR 97 CO 0.33 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 1k3r n GLY 98 N -0.03 -2.80 3.41 3.99 0.00 -1.26 -4.93 105.19 103.57 1k3r n GLY 98 Ca -0.10 -1.35 -0.47 0.00 0.00 0.00 0.00 46.02 44.10 1k3r n GLY 98 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1k3r n LYS 99 N -2.13 0.14 -2.26 1.61 3.00 -1.26 -4.92 118.16 112.34 1k3r n LYS 99 Ca -0.01 0.05 -0.40 0.00 -0.00 0.00 0.00 58.31 57.95 1k3r n LYS 99 Cb 0.09 -1.09 -0.03 0.00 0.00 0.00 0.00 35.03 34.00 1k3r n LYS 99 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1k3r s PRO 100 N -1.06 4.40 0.29 1.64 0.04 -1.26 -5.06 135.00 133.99 1k3r s PRO 100 Ca 0.63 2.03 0.09 0.00 0.04 0.00 0.00 61.00 63.79 1k3r s PRO 100 Cb -0.89 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 30.57 1k3r s PRO 100 CO 0.57 -0.08 0.10 0.14 0.04 0.00 0.00 177.00 177.76 1k3r s VAL 101 N -1.19 3.47 0.60 -0.36 -7.23 -1.26 -5.07 120.40 109.36 1k3r s VAL 101 Ca 0.49 -1.72 -0.20 0.00 -1.81 0.00 0.00 61.98 58.74 1k3r s VAL 101 Cb -0.36 -3.01 -0.03 0.00 0.56 0.00 0.00 36.38 33.54 1k3r s VAL 101 CO 0.47 -0.29 1.31 -0.89 -0.31 0.00 0.00 175.10 175.39 1k3r s THR 102 N -2.33 2.13 0.00 5.32 2.01 -1.26 -2.42 115.64 119.09 1k3r s THR 102 Ca 0.34 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.43 1k3r s THR 102 Cb -0.05 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.42 1k3r s THR 102 CO 0.22 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.75 1k3r n GLY 103 N 0.78 1.59 3.76 4.40 0.00 -0.65 -4.98 105.19 110.08 1k3r n GLY 103 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1k3r n GLY 103 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1k3r s GLU 104 N -0.08 4.60 -0.13 1.61 2.12 -1.02 -4.70 118.70 121.12 1k3r s GLU 104 Ca 0.00 1.69 -0.17 0.00 0.36 0.00 0.00 54.97 56.85 1k3r s GLU 104 Cb 0.00 -3.09 -0.04 0.00 0.26 0.00 0.00 34.13 31.25 1k3r s GLU 104 CO 0.00 0.21 0.44 0.71 -0.54 0.00 0.00 175.26 176.08 1k3r s TYR 105 N -1.25 3.50 0.04 5.30 1.51 -1.26 -1.34 117.35 123.85 1k3r s TYR 105 Ca 0.46 0.83 -0.00 0.00 -1.01 0.00 0.00 57.07 57.35 1k3r s TYR 105 Cb -0.29 -2.51 -0.03 0.00 -0.11 0.00 0.00 41.96 39.02 1k3r s TYR 105 CO 0.37 0.19 -0.03 1.03 -1.11 0.00 0.00 175.55 175.99 1k3r s ARG 106 N 0.57 0.51 -0.01 -0.62 0.52 0.09 -4.95 118.95 115.07 1k3r s ARG 106 Ca 0.24 -0.99 -0.10 0.00 -0.52 0.00 0.00 55.73 54.36 1k3r s ARG 106 Cb -0.15 0.12 -0.05 0.00 0.52 0.00 0.00 34.95 35.40 1k3r s ARG 106 CO 0.09 -0.07 0.31 -0.65 0.02 0.00 0.00 175.30 175.00 1k3r s GLN 107 N -2.91 3.70 0.03 3.54 -0.21 -1.26 0.25 119.66 122.79 1k3r s GLN 107 Ca -0.02 0.13 -0.01 0.00 0.02 0.00 0.00 55.36 55.48 1k3r s GLN 107 Cb 0.00 -3.14 -0.02 0.00 1.00 0.00 0.00 33.01 30.85 1k3r s GLN 107 CO -0.06 0.68 -0.00 0.20 -2.12 0.00 0.00 175.29 173.98 1k3r s GLY 108 N -1.35 0.28 -0.32 3.09 0.00 0.14 -4.69 107.32 104.48 1k3r s GLY 108 Ca 0.24 -0.71 -0.11 0.00 0.00 0.00 0.00 44.72 44.15 1k3r s GLY 108 CO 0.13 -0.80 0.18 -2.27 0.00 0.00 0.00 173.10 170.34 1k3r s LEU 109 N -1.90 4.21 0.14 0.66 2.96 -0.38 -0.75 118.68 123.62 1k3r s LEU 109 Ca -0.09 -0.43 -0.31 0.00 -0.22 0.00 0.00 54.13 53.08 1k3r s LEU 109 Cb -0.04 -2.06 -0.10 0.00 0.50 0.00 0.00 46.19 44.49 1k3r s LEU 109 CO -0.03 -0.19 1.75 0.42 -1.32 0.00 0.00 176.35 176.98 1k3r s THR 110 N 1.66 2.52 0.00 3.68 -4.23 0.50 -0.93 115.64 118.85 1k3r s THR 110 Ca 0.05 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 1k3r s THR 110 Cb -0.17 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.57 1k3r s THR 110 CO 0.08 0.00 0.00 0.52 -0.54 0.00 0.00 174.62 174.68 1k3r n VAL 111 N 4.50 0.00 -4.75 2.29 0.31 0.93 -0.28 118.33 121.34 1k3r n VAL 111 Ca 0.17 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.19 1k3r n VAL 111 Cb 0.38 -0.79 -0.13 0.00 -0.91 0.00 0.00 33.84 32.39 1k3r n VAL 111 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1k3r s LYS 112 N 0.00 2.05 -0.20 5.55 -0.14 -1.21 -4.34 119.74 121.45 1k3r s LYS 112 Ca 0.00 -0.99 -0.12 0.00 -1.36 0.00 0.00 55.97 53.50 1k3r s LYS 112 Cb 0.00 -2.15 -0.05 0.00 -1.68 0.00 0.00 37.83 33.95 1k3r s LYS 112 CO 0.00 0.54 0.22 0.50 -0.76 0.00 0.00 175.35 175.85 1k3r s ARG 113 N -1.32 4.18 0.00 1.68 3.52 -1.26 0.28 118.95 126.02 1k3r s ARG 113 Ca 0.14 -0.09 0.00 0.00 -0.13 0.00 0.00 55.73 55.65 1k3r s ARG 113 Cb -0.10 -3.47 0.00 0.00 -1.56 0.00 0.00 34.95 29.82 1k3r s ARG 113 CO 0.04 0.17 0.00 1.33 -0.81 0.00 0.00 175.30 176.03 1k3r n VAL 114 N 3.85 0.00 0.09 7.11 0.24 0.19 -4.94 118.33 124.87 1k3r n VAL 114 Ca -0.13 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.01 1k3r n VAL 114 Cb 0.52 -0.47 -0.14 0.00 -1.47 0.00 0.00 33.84 32.28 1k3r n VAL 114 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1k3r h LYS 115 N 0.00 0.25 0.00 7.34 1.63 -2.00 -3.16 116.57 120.64 1k3r h LYS 115 Ca 0.00 -0.43 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 1k3r h LYS 115 Cb 0.00 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 1k3r h LYS 115 CO 0.00 1.17 0.00 0.87 -3.45 0.00 0.00 179.45 178.04 1k3r h LYS 116 N 0.07 0.00 0.00 1.90 6.56 -1.96 -3.49 116.57 119.66 1k3r h LYS 116 Ca -0.17 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.42 1k3r h LYS 116 Cb 1.98 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.64 1k3r h LYS 116 CO 0.19 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.99 1k3r n GLY 117 N -0.23 0.62 3.31 3.86 0.00 -1.19 -4.49 105.19 107.07 1k3r n GLY 117 Ca 0.01 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.85 1k3r n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k3r s THR 118 N 0.00 2.42 0.06 2.61 2.01 0.87 0.54 115.64 124.14 1k3r s THR 118 Ca 0.00 -0.92 -0.19 0.00 0.31 0.00 0.00 61.69 60.89 1k3r s THR 118 Cb 0.00 -1.93 -0.06 0.00 0.01 0.00 0.00 72.50 70.52 1k3r s THR 118 CO 0.00 0.56 0.56 -0.76 -0.69 0.00 0.00 174.62 174.29 1k3r s LEU 119 N -0.04 4.51 -0.02 4.42 1.02 0.14 0.28 118.68 128.99 1k3r s LEU 119 Ca -0.06 1.22 -0.03 0.00 0.02 0.00 0.00 54.13 55.28 1k3r s LEU 119 Cb -0.15 -2.87 0.00 0.00 0.02 0.00 0.00 46.19 43.20 1k3r s LEU 119 CO 0.05 0.26 0.07 0.54 0.02 0.00 0.00 176.35 177.29 1k3r s VAL 120 N -1.01 0.03 -0.38 -1.59 0.11 0.23 -0.05 120.40 117.74 1k3r s VAL 120 Ca 0.29 -0.26 -0.21 0.00 -2.93 0.00 0.00 61.98 58.86 1k3r s VAL 120 Cb -0.19 -0.19 0.01 0.00 -1.53 0.00 0.00 36.38 34.48 1k3r s VAL 120 CO 0.18 -0.14 0.69 -0.62 -3.33 0.00 0.00 175.10 171.87 1k3r s ASP 121 N -0.43 6.43 0.00 3.54 -1.08 -0.10 -0.27 116.67 124.76 1k3r s ASP 121 Ca -0.05 0.07 0.03 0.00 -0.52 0.00 0.00 52.55 52.08 1k3r s ASP 121 Cb -0.03 -2.35 0.07 0.00 -1.46 0.00 0.00 42.92 39.15 1k3r s ASP 121 CO 0.00 -0.70 0.96 2.30 0.52 0.00 0.00 175.17 178.25 1k3r n ILE 122 N 5.75 0.76 -0.66 4.11 -5.35 -1.26 -1.25 119.36 121.46 1k3r n ILE 122 Ca -0.00 -0.88 0.00 0.00 -0.27 0.00 0.00 62.75 61.60 1k3r n ILE 122 Cb 0.48 0.63 0.00 0.00 -1.74 0.00 0.00 39.64 39.02 1k3r n ILE 122 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1k3r n GLY 123 N -0.13 1.44 1.82 3.28 0.00 -1.26 -4.91 105.19 105.43 1k3r n GLY 123 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1k3r n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k3r n ALA 124 N -0.99 3.00 -3.53 4.61 0.00 -1.26 -4.70 120.51 117.65 1k3r n ALA 124 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1k3r n ALA 124 Cb 0.16 0.01 -0.04 0.00 0.00 0.00 0.00 19.45 19.58 1k3r n ALA 124 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1k3r s ASP 125 N -4.33 -0.43 -0.11 0.00 -1.08 -1.26 -5.11 116.67 104.36 1k3r s ASP 125 Ca 0.00 0.26 -0.38 0.00 -0.52 0.00 0.00 52.55 51.91 1k3r s ASP 125 Cb 0.00 0.39 -0.16 0.00 -1.46 0.00 0.00 42.92 41.70 1k3r s ASP 125 CO 0.00 -0.54 1.58 1.17 0.52 0.00 0.00 175.17 177.90 1k3r n LYS 126 N 0.28 1.23 -3.78 4.34 4.81 -1.26 -4.67 118.16 119.11 1k3r n LYS 126 Ca -0.11 0.45 -0.25 0.00 -0.87 0.00 0.00 58.31 57.52 1k3r n LYS 126 Cb 0.60 -2.12 -0.03 0.00 0.02 0.00 0.00 35.03 33.50 1k3r n LYS 126 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1k3r s LEU 127 N 2.22 4.25 -0.11 3.14 0.20 0.63 -4.36 118.68 124.64 1k3r s LEU 127 Ca 0.92 0.28 0.00 0.00 0.69 0.00 0.00 54.13 56.02 1k3r s LEU 127 Cb -0.99 -3.06 -0.02 0.00 -0.43 0.00 0.00 46.19 41.69 1k3r s LEU 127 CO 0.56 -0.05 -0.12 0.00 -0.29 0.00 0.00 176.35 176.45 1k3r s ALA 128 N -1.91 2.67 -0.14 5.97 0.00 -0.37 0.76 121.76 128.75 1k3r s ALA 128 Ca 0.37 -0.90 -0.03 0.00 0.00 0.00 0.00 51.96 51.40 1k3r s ALA 128 Cb -0.10 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.80 1k3r s ALA 128 CO 0.30 0.32 -0.05 -1.17 0.00 0.00 0.00 175.76 175.16 1k3r s LEU 129 N 0.10 3.20 0.32 0.00 2.96 0.14 -2.48 118.68 122.92 1k3r s LEU 129 Ca -0.05 -0.12 0.15 0.00 -0.22 0.00 0.00 54.13 53.89 1k3r s LEU 129 Cb -0.15 -1.75 0.45 0.00 0.50 0.00 0.00 46.19 45.24 1k3r s LEU 129 CO 0.04 0.21 1.63 0.00 -1.32 0.00 0.00 176.35 176.91 1k3r n ARG 131 N -3.54 0.21 0.00 0.00 0.63 -1.26 -4.59 116.66 108.11 1k3r n ARG 131 Ca -0.00 -1.20 0.00 0.00 -0.92 0.00 0.00 57.85 55.73 1k3r n ARG 131 Cb 0.60 -2.73 0.00 0.00 0.45 0.00 0.00 32.46 30.78 1k3r n ARG 131 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1k3r n GLU 132 N 7.90 0.00 -1.01 -0.14 4.07 -1.26 -2.75 120.64 127.45 1k3r n GLU 132 Ca 0.47 0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 57.33 1k3r n GLU 132 Cb 0.42 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.73 1k3r n GLU 132 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 1k3r n LYS 133 N -0.25 2.55 -2.82 5.31 2.85 -1.26 -3.98 118.16 120.55 1k3r n LYS 133 Ca 0.00 -1.48 -0.42 0.00 -1.05 0.00 0.00 58.31 55.36 1k3r n LYS 133 Cb 0.00 -2.36 -0.03 0.00 -0.65 0.00 0.00 35.03 31.99 1k3r n LYS 133 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1k3r s LEU 134 N 0.08 4.25 0.23 -5.58 1.43 -1.11 -4.99 118.68 112.99 1k3r s LEU 134 Ca 0.59 1.36 -0.30 0.00 -1.03 0.00 0.00 54.13 54.75 1k3r s LEU 134 Cb 0.21 -3.36 -0.10 0.00 0.03 0.00 0.00 46.19 42.97 1k3r s LEU 134 CO -0.03 -0.35 1.41 0.42 0.23 0.00 0.00 176.35 178.03 1k3r s THR 135 N 1.74 2.82 0.96 5.49 -4.23 -1.26 -4.93 115.64 116.24 1k3r s THR 135 Ca 0.43 0.68 -0.12 0.00 -1.18 0.00 0.00 61.69 61.50 1k3r s THR 135 Cb -0.18 -3.43 0.17 0.00 1.34 0.00 0.00 72.50 70.39 1k3r s THR 135 CO 0.17 0.10 1.09 0.68 -0.54 0.00 0.00 174.62 176.13 1k3r s VAL 136 N 0.11 2.28 -1.41 2.29 -7.23 -1.26 -4.20 120.40 110.97 1k3r s VAL 136 Ca 0.59 0.09 -0.09 0.00 -1.81 0.00 0.00 61.98 60.77 1k3r s VAL 136 Cb -0.40 -2.59 0.04 0.00 0.56 0.00 0.00 36.38 33.98 1k3r s VAL 136 CO 0.41 -0.12 1.00 -3.20 -0.31 0.00 0.00 175.10 172.88 1k3r n ASN 137 N -4.06 -4.36 -4.29 4.85 5.15 0.61 -4.95 115.26 108.21 1k3r n ASN 137 Ca 0.06 -0.70 -0.21 0.00 -0.60 0.00 0.00 54.58 53.13 1k3r n ASN 137 Cb 0.57 -4.37 -0.11 0.00 -0.53 0.00 0.00 39.78 35.33 1k3r n ASN 137 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1k3r s ARG 138 N -6.30 1.16 -0.31 1.20 3.00 -1.25 -4.92 118.95 111.53 1k3r s ARG 138 Ca 0.46 -1.31 -0.07 0.00 0.00 0.00 0.00 55.73 54.81 1k3r s ARG 138 Cb -0.22 -1.18 0.02 0.00 0.00 0.00 0.00 34.95 33.57 1k3r s ARG 138 CO 0.79 0.24 0.10 0.42 0.00 0.00 0.00 175.30 176.85 1k3r s ILE 139 N -1.94 4.04 0.27 1.52 1.01 -1.26 -0.37 121.20 124.47 1k3r s ILE 139 Ca 0.12 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 60.05 1k3r s ILE 139 Cb -0.06 -3.14 -0.06 0.00 0.01 0.00 0.00 42.46 39.21 1k3r s ILE 139 CO 0.05 -0.01 -0.04 -0.04 0.00 0.00 0.00 174.94 174.90 1k3r s MET 140 N 1.49 1.49 -0.13 2.79 -1.94 0.07 -4.91 119.30 118.15 1k3r s MET 140 Ca 0.02 -1.75 -0.12 0.00 -1.71 0.00 0.00 55.69 52.12 1k3r s MET 140 Cb -0.18 -1.01 -0.05 0.00 2.01 0.00 0.00 34.83 35.61 1k3r s MET 140 CO 0.03 0.00 0.26 -1.12 -0.01 0.00 0.00 175.02 174.18 1k3r s SER 141 N -3.40 6.45 0.25 3.03 0.01 -1.26 0.27 113.70 119.04 1k3r s SER 141 Ca 0.29 0.53 0.04 0.00 1.31 0.00 0.00 55.95 58.12 1k3r s SER 141 Cb 0.04 -2.16 -0.05 0.00 0.21 0.00 0.00 66.02 64.06 1k3r s SER 141 CO 0.11 0.20 -0.00 -0.36 0.41 0.00 0.00 173.24 173.60 1k3r s PHE 142 N -0.04 1.67 -0.07 2.43 0.40 0.14 -0.73 117.98 121.79 1k3r s PHE 142 Ca 0.16 -0.90 0.05 0.00 -0.60 0.00 0.00 56.93 55.64 1k3r s PHE 142 Cb -0.13 -0.99 -0.01 0.00 0.51 0.00 0.00 43.02 42.40 1k3r s PHE 142 CO 0.04 0.01 -0.24 0.50 0.70 0.00 0.00 175.22 176.23 1k3r s ARG 143 N -3.85 2.56 -0.40 0.44 3.00 -0.24 -0.73 118.95 119.74 1k3r s ARG 143 Ca 0.30 -0.86 -0.29 0.00 -1.00 0.00 0.00 55.73 53.88 1k3r s ARG 143 Cb 0.06 -2.12 0.02 0.00 0.00 0.00 0.00 34.95 32.91 1k3r s ARG 143 CO 0.10 0.32 1.13 0.08 0.00 0.00 0.00 175.30 176.93 1k3r s VAL 144 N -0.02 4.32 -0.10 7.11 1.01 -0.45 -1.56 120.40 130.70 1k3r s VAL 144 Ca -0.07 1.43 -0.20 0.00 0.00 0.00 0.00 61.98 63.14 1k3r s VAL 144 Cb -0.14 -4.49 -0.17 0.00 0.00 0.00 0.00 36.38 31.58 1k3r s VAL 144 CO 0.05 -0.75 0.63 0.58 0.00 0.00 0.00 175.10 175.61 1k3r h VAL 145 N 6.02 1.12 -3.43 2.92 2.07 0.88 -1.72 116.25 124.10 1k3r h VAL 145 Ca -0.22 -1.68 -0.10 0.00 0.82 0.00 0.00 66.70 65.52 1k3r h VAL 145 Cb 1.06 2.05 -0.17 0.00 -1.52 0.00 0.00 31.29 32.71 1k3r h VAL 145 CO 1.08 0.36 -0.33 -0.60 0.02 0.00 0.00 177.57 178.10 1k3r s ARG 146 N -2.44 0.74 0.52 1.57 6.06 -0.75 -4.66 118.95 119.98 1k3r s ARG 146 Ca -0.13 -0.56 0.06 0.00 -2.50 0.00 0.00 55.73 52.60 1k3r s ARG 146 Cb -0.01 0.31 0.05 0.00 0.06 0.00 0.00 34.95 35.36 1k3r s ARG 146 CO 0.47 -0.22 0.72 -0.51 -2.50 0.00 0.00 175.30 173.26 1k3r s LEU 147 N -2.04 3.36 0.00 -0.88 1.43 -1.26 0.79 118.68 120.09 1k3r s LEU 147 Ca -0.05 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1k3r s LEU 147 Cb -0.01 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.82 1k3r s LEU 147 CO -0.03 -1.11 0.00 0.61 0.23 0.00 0.00 176.35 176.05 1k3r n GLY 148 N -2.17 -0.15 0.27 -3.19 0.00 -1.26 -4.81 105.19 93.88 1k3r n GLY 148 Ca 0.11 -1.50 0.13 0.00 0.00 0.00 0.00 46.02 44.76 1k3r n GLY 148 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1k3r h LYS 149 N 2.19 0.00 -3.35 1.61 3.64 -2.00 -3.33 116.57 115.34 1k3r h LYS 149 Ca 0.00 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.85 1k3r h LYS 149 Cb 0.00 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.42 1k3r h LYS 149 CO 0.00 0.11 -0.76 -2.00 -2.27 0.00 0.00 179.45 174.53 1k3r s GLU 150 N -4.12 0.52 0.73 1.90 2.12 -1.26 -4.95 118.70 113.64 1k3r s GLU 150 Ca -0.02 -0.60 -0.15 0.00 0.36 0.00 0.00 54.97 54.55 1k3r s GLU 150 Cb 0.13 -1.85 0.04 0.00 0.26 0.00 0.00 34.13 32.70 1k3r s GLU 150 CO 0.58 -0.82 1.22 0.42 -0.54 0.00 0.00 175.26 176.11 1k3r s ILE 151 N 1.86 2.26 -0.07 -3.70 1.01 -1.25 -4.79 121.20 116.52 1k3r s ILE 151 Ca 0.04 0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.88 1k3r s ILE 151 Cb -0.17 -2.73 -0.01 0.00 0.01 0.00 0.00 42.46 39.56 1k3r s ILE 151 CO -0.19 -0.07 -0.23 -0.22 0.00 0.00 0.00 174.94 174.23 1k3r s LEU 152 N -5.10 2.16 0.13 2.97 2.96 0.24 -1.24 118.68 120.80 1k3r s LEU 152 Ca 0.75 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 54.16 1k3r s LEU 152 Cb -0.30 -1.41 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 1k3r s LEU 152 CO 0.45 0.24 0.09 0.27 -1.32 0.00 0.00 176.35 176.08 1k3r s ILE 153 N -0.13 0.11 0.01 6.68 -4.36 -1.04 0.14 121.20 122.61 1k3r s ILE 153 Ca -0.04 -1.80 0.02 0.00 -0.26 0.00 0.00 60.65 58.57 1k3r s ILE 153 Cb -0.14 -1.95 -0.01 0.00 1.25 0.00 0.00 42.46 41.61 1k3r s ILE 153 CO 0.04 -0.48 -0.06 -1.83 0.24 0.00 0.00 174.94 172.85 1k3r s GLU 154 N -4.02 0.46 0.24 0.37 -1.05 -0.60 -4.16 118.70 109.94 1k3r s GLU 154 Ca 0.21 -0.35 -0.31 0.00 -0.15 0.00 0.00 54.97 54.38 1k3r s GLU 154 Cb 0.07 -0.39 -0.11 0.00 -0.44 0.00 0.00 34.13 33.26 1k3r s GLU 154 CO 0.00 0.10 1.55 -1.25 0.95 0.00 0.00 175.26 176.61 1k3r s PRO 155 N -0.53 4.19 -0.28 -4.83 0.04 -1.26 -1.07 135.00 131.26 1k3r s PRO 155 Ca -0.01 2.45 -0.24 0.00 0.04 0.00 0.00 61.00 63.24 1k3r s PRO 155 Cb -0.04 -3.08 0.11 0.00 0.04 0.00 0.00 34.50 31.53 1k3r s PRO 155 CO -0.00 -0.57 0.96 0.34 0.04 0.00 0.00 177.00 177.77 1k3r s ASP 156 N 0.65 -0.52 -0.07 6.66 3.68 0.09 -4.81 116.67 122.35 1k3r s ASP 156 Ca 0.65 0.98 0.03 0.00 2.13 0.00 0.00 52.55 56.33 1k3r s ASP 156 Cb -0.45 1.03 -0.02 0.00 -1.45 0.00 0.00 42.92 42.02 1k3r s ASP 156 CO 0.41 -0.17 -0.14 -1.61 0.13 0.00 0.00 175.17 173.79 1k3r s GLU 157 N 0.41 2.78 0.51 4.34 2.02 -1.26 -3.17 118.70 124.33 1k3r s GLU 157 Ca 0.01 -0.70 -0.19 0.00 0.02 0.00 0.00 54.97 54.11 1k3r s GLU 157 Cb -0.05 -2.45 -0.07 0.00 0.10 0.00 0.00 34.13 31.66 1k3r s GLU 157 CO -0.06 0.49 1.04 -2.14 0.02 0.00 0.00 175.26 174.61 1k3r s PRO 158 N -0.37 3.69 0.00 0.39 0.02 -1.26 -4.93 135.00 132.54 1k3r s PRO 158 Ca 0.04 1.31 0.00 0.00 0.02 0.00 0.00 61.00 62.37 1k3r s PRO 158 Cb -0.12 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.32 1k3r s PRO 158 CO 0.02 -0.52 0.00 0.39 -0.33 0.00 0.00 177.00 176.57 1k3r n GLU 159 N -1.23 1.77 -0.35 5.54 1.02 -1.26 -4.66 120.64 121.46 1k3r n GLU 159 Ca 0.09 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.26 1k3r n GLU 159 Cb 0.53 -0.84 0.16 0.00 -0.02 0.00 0.00 31.44 31.26 1k3r n GLU 159 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1k3r n ASP 160 N -1.23 2.80 -3.75 1.62 5.75 -1.26 -4.92 116.55 115.56 1k3r n ASP 160 Ca 0.00 -2.34 -0.06 0.00 -0.01 0.00 0.00 54.79 52.37 1k3r n ASP 160 Cb 0.00 -0.54 -0.02 0.00 -1.03 0.00 0.00 41.12 39.53 1k3r n ASP 160 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1k3r s ARG 161 N -1.70 1.46 0.20 0.11 1.70 -1.26 -5.14 118.95 114.32 1k3r s ARG 161 Ca 0.22 -0.77 -0.30 0.00 -0.47 0.00 0.00 55.73 54.41 1k3r s ARG 161 Cb 0.16 0.52 -0.08 0.00 -0.57 0.00 0.00 34.95 34.98 1k3r s ARG 161 CO 0.07 -0.66 1.13 -0.47 -1.08 0.00 0.00 175.30 174.29 1k3r s TYR 162 N -3.62 3.53 -0.10 5.89 5.04 -1.26 -4.94 117.35 121.89 1k3r s TYR 162 Ca 0.10 1.56 0.14 0.00 -2.44 0.00 0.00 57.07 56.43 1k3r s TYR 162 Cb -0.03 -3.33 0.23 0.00 0.35 0.00 0.00 41.96 39.17 1k3r s TYR 162 CO 0.02 -0.80 1.12 1.87 -1.34 0.00 0.00 175.55 176.42 1k3r n TRP 163 N 2.17 0.00 -0.98 4.97 -0.00 -1.26 -4.36 117.44 117.98 1k3r n TRP 163 Ca 0.02 -0.77 0.00 0.00 -0.00 0.00 0.00 57.50 56.76 1k3r n TRP 163 Cb 0.45 -0.13 0.00 0.00 -0.00 0.00 0.00 31.31 31.63 1k3r n TRP 163 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1k3r n GLY 164 N -1.02 -2.60 3.41 5.87 0.00 -1.26 -4.89 105.19 104.70 1k3r n GLY 164 Ca 0.12 -1.81 -0.26 0.00 0.00 0.00 0.00 46.02 44.07 1k3r n GLY 164 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1k3r s TYR 165 N -0.47 2.24 -0.10 1.61 -0.85 -1.26 -4.61 117.35 113.91 1k3r s TYR 165 Ca 0.00 -0.37 -0.06 0.00 -0.52 0.00 0.00 57.07 56.12 1k3r s TYR 165 Cb 0.00 -1.11 -0.04 0.00 0.38 0.00 0.00 41.96 41.19 1k3r s TYR 165 CO 0.00 0.48 0.14 -1.83 -1.52 0.00 0.00 175.55 172.82 1k3r s GLU 166 N -2.68 3.40 -0.21 -3.49 -1.05 -0.39 -4.94 118.70 109.34 1k3r s GLU 166 Ca 0.20 -0.18 -0.04 0.00 -0.15 0.00 0.00 54.97 54.79 1k3r s GLU 166 Cb -0.08 -3.14 -0.02 0.00 -0.44 0.00 0.00 34.13 30.45 1k3r s GLU 166 CO 0.09 0.76 -0.02 0.54 0.95 0.00 0.00 175.26 177.58 1k3r s VAL 167 N -1.07 3.68 -0.35 1.83 0.11 -1.26 -1.25 120.40 122.09 1k3r s VAL 167 Ca 0.17 -0.40 -0.12 0.00 -2.93 0.00 0.00 61.98 58.70 1k3r s VAL 167 Cb -0.12 -2.67 -0.00 0.00 -1.53 0.00 0.00 36.38 32.06 1k3r s VAL 167 CO 0.06 0.42 0.22 -0.76 -3.33 0.00 0.00 175.10 171.72 1k3r s LEU 168 N 1.21 4.55 -1.13 2.54 1.43 0.29 -4.97 118.68 122.61 1k3r s LEU 168 Ca 0.03 -0.60 -0.09 0.00 -1.03 0.00 0.00 54.13 52.43 1k3r s LEU 168 Cb -0.14 -2.09 0.27 0.00 0.03 0.00 0.00 46.19 44.25 1k3r s LEU 168 CO 0.00 -0.28 1.17 -0.67 0.23 0.00 0.00 176.35 176.80 1k3r n ASP 169 N 5.07 5.54 -4.69 2.29 4.64 -1.26 -1.38 116.55 126.77 1k3r n ASP 169 Ca -0.13 -3.05 -0.41 0.00 -1.38 0.00 0.00 54.79 49.82 1k3r n ASP 169 Cb 0.49 -1.39 -0.04 0.00 -1.04 0.00 0.00 41.12 39.14 1k3r n ASP 169 CO 0.00 0.00 0.00 0.42 -0.82 0.00 0.00 177.20 176.80 1k3r s THR 170 N -1.11 4.90 -0.87 5.18 -4.23 -1.20 -4.90 115.64 113.41 1k3r s THR 170 Ca 0.32 1.70 0.02 0.00 -1.18 0.00 0.00 61.69 62.55 1k3r s THR 170 Cb -0.09 -4.16 0.12 0.00 1.34 0.00 0.00 72.50 69.71 1k3r s THR 170 CO -0.06 0.08 0.70 0.54 -0.54 0.00 0.00 174.62 175.33 1k3r n ARG 171 N 4.79 1.58 -3.90 3.99 5.12 -1.26 -4.34 116.66 122.65 1k3r n ARG 171 Ca 0.04 -0.48 -0.21 0.00 -1.93 0.00 0.00 57.85 55.28 1k3r n ARG 171 Cb 0.49 -1.61 -0.02 0.00 -1.16 0.00 0.00 32.46 30.16 1k3r n ARG 171 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1k3r s ARG 172 N -1.25 3.18 1.16 5.56 6.06 -1.26 -4.70 118.95 127.69 1k3r s ARG 172 Ca 0.08 -0.94 -0.16 0.00 -2.50 0.00 0.00 55.73 52.22 1k3r s ARG 172 Cb 0.06 -2.75 0.27 0.00 0.06 0.00 0.00 34.95 32.59 1k3r s ARG 172 CO 0.02 0.32 1.06 0.54 -2.50 0.00 0.00 175.30 174.75 1k3r s ASN 173 N -3.98 1.21 0.12 -2.12 4.22 -1.26 -1.17 114.94 111.97 1k3r s ASN 173 Ca 0.36 1.02 -0.27 0.00 -2.14 0.00 0.00 52.86 51.83 1k3r s ASN 173 Cb -0.08 -1.54 -0.06 0.00 1.28 0.00 0.00 41.25 40.85 1k3r s ASN 173 CO 0.28 -3.99 1.61 0.25 -2.04 0.00 0.00 177.10 173.22 1k3r h LEU 174 N -2.48 -0.96 -0.72 3.54 5.85 -1.92 0.57 115.31 119.18 1k3r h LEU 174 Ca -0.52 0.12 0.14 0.00 0.84 0.00 0.00 57.88 58.47 1k3r h LEU 174 Cb 1.32 0.39 -0.14 0.00 0.37 0.00 0.00 40.66 42.60 1k3r h LEU 174 CO 0.45 -0.39 -0.20 0.00 -0.34 0.00 0.00 178.44 177.97 1k3r h ALA 175 N 0.25 0.43 0.03 1.25 0.00 -1.96 0.35 119.26 119.60 1k3r h ALA 175 Ca 0.06 0.28 -0.27 0.00 0.00 0.00 0.00 54.91 54.97 1k3r h ALA 175 Cb 0.56 0.58 0.02 0.00 0.00 0.00 0.00 17.79 18.96 1k3r h ALA 175 CO -0.26 -0.44 -1.08 0.93 0.00 0.00 0.00 179.25 178.40 1k3r h GLU 176 N -0.02 0.69 -0.58 0.00 4.39 -1.85 -2.08 114.58 115.13 1k3r h GLU 176 Ca 0.34 -0.77 0.01 0.00 0.34 0.00 0.00 59.36 59.27 1k3r h GLU 176 Cb 0.54 0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 29.39 1k3r h GLU 176 CO -0.75 1.34 0.38 0.77 -1.16 0.00 0.00 179.01 179.59 1k3r h SER 177 N 0.36 0.66 -0.19 1.42 0.02 -0.05 -0.39 113.55 115.39 1k3r h SER 177 Ca -0.14 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.74 1k3r h SER 177 Cb 1.74 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 64.11 1k3r h SER 177 CO 0.21 0.48 -0.08 0.25 -1.14 0.00 0.00 176.83 176.55 1k3r h LEU 178 N 0.78 0.41 -1.68 5.07 5.85 -0.34 -2.82 115.31 122.57 1k3r h LEU 178 Ca 0.21 -0.40 0.22 0.00 0.84 0.00 0.00 57.88 58.75 1k3r h LEU 178 Cb -0.09 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.77 1k3r h LEU 178 CO -0.05 0.72 0.60 0.50 -0.34 0.00 0.00 178.44 179.87 1k3r h LYS 179 N 0.10 0.25 0.00 1.25 1.63 -0.47 0.22 116.57 119.55 1k3r h LYS 179 Ca 0.04 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1k3r h LYS 179 Cb 0.56 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 1k3r h LYS 179 CO 0.03 0.16 0.00 2.41 -3.45 0.00 0.00 179.45 178.60 1k3r n THR 180 N -4.43 0.00 0.26 1.00 -1.04 -0.28 -3.87 114.28 105.91 1k3r n THR 180 Ca 0.19 1.22 0.14 0.00 -2.04 0.00 0.00 64.05 63.56 1k3r n THR 180 Cb 0.78 -2.19 0.64 0.00 -1.82 0.00 0.00 70.33 67.74 1k3r n THR 180 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 1k3r h VAL 181 N 0.00 0.33 -1.26 12.58 -1.51 -1.54 -3.48 116.25 121.37 1k3r h VAL 181 Ca 0.00 -0.72 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 1k3r h VAL 181 Cb 0.00 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.70 1k3r h VAL 181 CO 0.00 0.11 -0.06 0.61 -1.23 0.00 0.00 177.57 176.99 1k3r n GLY 182 N -0.15 0.00 3.95 5.19 0.00 0.77 -4.95 105.19 110.01 1k3r n GLY 182 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1k3r n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k3r s ALA 183 N -0.06 3.78 0.22 4.61 0.00 -1.26 -5.00 121.76 124.05 1k3r s ALA 183 Ca 0.00 -1.04 0.28 0.00 0.00 0.00 0.00 51.96 51.20 1k3r s ALA 183 Cb 0.00 -2.08 1.22 0.00 0.00 0.00 0.00 23.12 22.26 1k3r s ALA 183 CO 0.00 -0.21 1.95 0.38 0.00 0.00 0.00 175.76 177.88 1k3r h ASP 184 N 0.58 0.00 -3.43 0.00 -0.00 -1.88 -3.42 116.42 108.27 1k3r h ASP 184 Ca -0.47 0.00 -0.43 0.00 -0.00 0.00 0.00 57.03 56.12 1k3r h ASP 184 Cb 1.24 0.00 -0.34 0.00 -0.00 0.00 0.00 39.33 40.23 1k3r h ASP 184 CO 0.58 0.14 -0.78 -0.69 -0.00 0.00 0.00 179.24 178.49 1k3r s VAL 185 N -3.82 0.64 -0.29 4.15 1.01 -1.21 -5.01 120.40 115.88 1k3r s VAL 185 Ca -0.00 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1k3r s VAL 185 Cb 0.11 -0.65 0.08 0.00 0.00 0.00 0.00 36.38 35.91 1k3r s VAL 185 CO 0.59 0.25 -0.02 -0.69 0.00 0.00 0.00 175.10 175.24 1k3r s VAL 186 N 0.95 1.91 -0.31 2.92 1.01 -1.26 -0.36 120.40 125.26 1k3r s VAL 186 Ca -0.10 -1.75 -0.15 0.00 0.00 0.00 0.00 61.98 59.97 1k3r s VAL 186 Cb -0.14 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 1k3r s VAL 186 CO 0.00 -0.31 0.37 -0.69 0.00 0.00 0.00 175.10 174.47 1k3r s VAL 187 N 1.16 5.16 -0.17 2.92 1.01 0.10 -0.25 120.40 130.33 1k3r s VAL 187 Ca 0.01 0.31 -0.08 0.00 0.00 0.00 0.00 61.98 62.22 1k3r s VAL 187 Cb -0.19 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1k3r s VAL 187 CO -0.08 0.02 0.09 0.00 0.00 0.00 0.00 175.10 175.12 1k3r s ALA 188 N 2.07 3.54 -0.14 5.51 0.00 -0.24 -0.57 121.76 131.93 1k3r s ALA 188 Ca 0.14 -0.72 -0.05 0.00 0.00 0.00 0.00 51.96 51.32 1k3r s ALA 188 Cb -0.16 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.96 1k3r s ALA 188 CO 0.11 0.26 0.05 0.95 0.00 0.00 0.00 175.76 177.13 1k3r s THR 189 N 0.11 4.74 -0.19 0.00 -4.23 -0.73 -1.76 115.64 113.59 1k3r s THR 189 Ca 0.06 -0.07 -0.15 0.00 -1.18 0.00 0.00 61.69 60.35 1k3r s THR 189 Cb -0.12 -3.07 0.05 0.00 1.34 0.00 0.00 72.50 70.70 1k3r s THR 189 CO 0.00 0.54 0.48 -0.55 -0.54 0.00 0.00 174.62 174.56 1k3r s SER 190 N -0.34 -0.54 0.62 3.99 0.15 0.11 -4.55 113.70 113.14 1k3r s SER 190 Ca 0.09 0.99 0.34 0.00 0.70 0.00 0.00 55.95 58.07 1k3r s SER 190 Cb -0.12 0.97 1.96 0.00 -1.71 0.00 0.00 66.02 67.12 1k3r s SER 190 CO 0.02 -0.18 2.23 -0.09 1.20 0.00 0.00 173.24 176.42 1k3r h ARG 191 N 5.85 0.00 -0.05 5.44 1.12 -1.97 -1.36 114.38 123.41 1k3r h ARG 191 Ca -0.30 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.57 1k3r h ARG 191 Cb 1.18 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.14 1k3r h ARG 191 CO 0.22 0.00 0.00 0.09 -3.11 0.00 0.00 179.97 177.17 1k3r n ASN 192 N -3.54 2.37 -4.93 -3.80 3.02 -1.26 -4.89 115.26 102.22 1k3r n ASN 192 Ca -0.02 -1.79 -0.25 0.00 -0.03 0.00 0.00 54.58 52.49 1k3r n ASN 192 Cb 0.16 -0.02 0.04 0.00 -0.61 0.00 0.00 39.78 39.34 1k3r n ASN 192 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1k3r s ALA 193 N -1.96 3.41 0.37 5.41 0.00 -0.51 -5.01 121.76 123.46 1k3r s ALA 193 Ca 0.33 -0.87 -0.27 0.00 0.00 0.00 0.00 51.96 51.16 1k3r s ALA 193 Cb 0.20 -2.47 -0.12 0.00 0.00 0.00 0.00 23.12 20.74 1k3r s ALA 193 CO 0.31 -0.82 1.16 -1.13 0.00 0.00 0.00 175.76 175.27 1k3r n SER 194 N -2.54 2.03 -4.77 0.00 3.41 -1.26 -3.83 113.62 106.67 1k3r n SER 194 Ca 0.05 1.14 -0.40 0.00 -0.26 0.00 0.00 58.87 59.40 1k3r n SER 194 Cb 0.58 -1.41 0.02 0.00 -0.26 0.00 0.00 64.21 63.14 1k3r n SER 194 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 1k3r s PRO 195 N -1.91 3.69 0.43 4.33 0.02 -1.26 -1.16 135.00 139.13 1k3r s PRO 195 Ca 0.59 2.39 0.11 0.00 0.02 0.00 0.00 61.00 64.11 1k3r s PRO 195 Cb -0.58 -2.65 0.92 0.00 0.02 0.00 0.00 34.50 32.22 1k3r s PRO 195 CO 0.60 -0.81 1.99 0.97 -0.33 0.00 0.00 177.00 179.42 1k3r h ILE 196 N 2.28 1.13 -0.14 2.83 6.09 -1.43 -2.53 117.51 125.73 1k3r h ILE 196 Ca -0.51 -0.53 0.04 0.00 -1.37 0.00 0.00 64.86 62.50 1k3r h ILE 196 Cb 1.27 1.10 -0.01 0.00 0.47 0.00 0.00 36.82 39.65 1k3r h ILE 196 CO 0.61 0.17 0.15 0.71 -3.07 0.00 0.00 178.15 176.72 1k3r h THR 197 N 0.19 0.52 0.00 2.19 1.35 -1.90 0.53 112.91 115.80 1k3r h THR 197 Ca 0.04 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.78 1k3r h THR 197 Cb 0.24 0.88 -0.02 0.00 -1.73 0.00 0.00 68.15 67.52 1k3r h THR 197 CO 0.01 0.00 -0.67 0.28 -0.25 0.00 0.00 175.52 174.89 1k3r h SER 198 N 0.00 0.01 -0.41 5.36 0.02 -1.82 -3.37 113.55 113.35 1k3r h SER 198 Ca 0.07 -0.75 -0.05 0.00 -0.84 0.00 0.00 61.79 60.22 1k3r h SER 198 Cb 0.37 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 1k3r h SER 198 CO -0.00 1.27 0.06 -0.38 -1.14 0.00 0.00 176.83 176.64 1k3r n ILE 199 N -4.50 1.87 0.06 3.27 5.41 -1.09 -4.69 119.36 119.69 1k3r n ILE 199 Ca -0.21 -0.94 -0.15 0.00 1.00 0.00 0.00 62.75 62.44 1k3r n ILE 199 Cb 0.60 -0.41 -0.08 0.00 -0.71 0.00 0.00 39.64 39.04 1k3r n ILE 199 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1k3r h LEU 200 N 2.32 -1.48 -2.20 1.39 5.85 -1.06 -2.30 115.31 117.83 1k3r h LEU 200 Ca 0.06 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 1k3r h LEU 200 Cb 1.56 0.57 -0.00 0.00 0.37 0.00 0.00 40.66 43.16 1k3r h LEU 200 CO 0.38 -0.50 -0.05 0.44 -0.34 0.00 0.00 178.44 178.37 1k3r h ASP 201 N -0.63 0.00 0.28 1.25 5.19 -1.87 0.14 116.42 120.78 1k3r h ASP 201 Ca 0.03 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 1k3r h ASP 201 Cb 0.70 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.21 1k3r h ASP 201 CO -0.34 0.05 -0.13 -0.08 -3.12 0.00 0.00 179.24 175.61 1k3r h GLU 202 N 0.00 -0.36 -0.95 3.56 4.81 -1.79 -2.27 114.58 117.57 1k3r h GLU 202 Ca -0.00 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.34 1k3r h GLU 202 Cb 0.24 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.64 1k3r h GLU 202 CO 0.01 -0.03 0.61 0.28 -0.73 0.00 0.00 179.01 179.15 1k3r h VAL 203 N -0.76 1.03 -0.47 0.32 2.07 -0.93 -0.64 116.25 116.86 1k3r h VAL 203 Ca -0.04 -0.36 0.04 0.00 0.82 0.00 0.00 66.70 67.16 1k3r h VAL 203 Cb 0.50 -0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.13 1k3r h VAL 203 CO 0.06 0.19 0.24 0.50 0.02 0.00 0.00 177.57 178.58 1k3r h LYS 204 N 1.04 0.46 0.22 1.57 3.64 -0.86 -1.77 116.57 120.87 1k3r h LYS 204 Ca 0.43 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.77 1k3r h LYS 204 Cb 0.28 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1k3r h LYS 204 CO -0.18 0.30 -0.11 1.15 -2.27 0.00 0.00 179.45 178.35 1k3r h THR 205 N 0.47 0.83 -0.31 1.00 2.02 -0.63 -2.78 112.91 113.51 1k3r h THR 205 Ca 0.21 -0.82 0.07 0.00 0.77 0.00 0.00 66.41 66.64 1k3r h THR 205 Cb 0.11 1.27 -0.08 0.00 -1.74 0.00 0.00 68.15 67.71 1k3r h THR 205 CO -0.15 0.17 -0.23 0.03 0.37 0.00 0.00 175.52 175.71 1k3r h ARG 206 N -0.74 -0.19 -0.53 6.66 -0.00 -1.13 0.12 114.38 118.57 1k3r h ARG 206 Ca -0.03 0.01 0.12 0.00 -0.50 0.00 0.00 59.98 59.58 1k3r h ARG 206 Cb 0.50 0.04 -0.03 0.00 0.00 0.00 0.00 29.97 30.48 1k3r h ARG 206 CO 0.05 -0.13 0.37 0.52 0.00 0.00 0.00 179.97 180.78 1k3r h MET 207 N -0.20 0.19 0.00 0.04 2.86 -1.39 0.79 114.93 117.23 1k3r h MET 207 Ca 0.16 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1k3r h MET 207 Cb 0.45 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1k3r h MET 207 CO -0.43 0.13 0.00 0.54 1.06 0.00 0.00 176.91 178.21 1k3r n ARG 208 N -4.44 0.06 -0.34 1.72 5.12 0.38 -1.26 116.66 117.90 1k3r n ARG 208 Ca 0.09 0.23 0.19 0.00 -1.93 0.00 0.00 57.85 56.44 1k3r n ARG 208 Cb 0.46 -1.50 0.42 0.00 -1.16 0.00 0.00 32.46 30.68 1k3r n ARG 208 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1k3r h GLY 209 N 2.34 1.75 -0.09 -0.13 0.00 0.86 -3.45 103.07 104.35 1k3r h GLY 209 Ca 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 1k3r h GLY 209 CO 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 176.54 176.27 1k3r n ALA 210 N -2.35 -0.03 -1.00 3.60 0.00 -0.39 -4.98 120.51 115.35 1k3r n ALA 210 Ca 0.27 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1k3r n ALA 210 Cb 0.80 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1k3r n ALA 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1k3r n ARG 211 N -1.63 0.00 -3.72 0.00 5.12 -1.26 -4.16 116.66 111.00 1k3r n ARG 211 Ca -0.02 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.75 1k3r n ARG 211 Cb 0.23 -0.11 -0.15 0.00 -1.16 0.00 0.00 32.46 31.27 1k3r n ARG 211 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1k3r s GLU 212 N -0.01 0.03 -0.03 5.56 2.12 -1.26 -2.12 118.70 123.00 1k3r s GLU 212 Ca 0.00 0.38 0.01 0.00 0.36 0.00 0.00 54.97 55.72 1k3r s GLU 212 Cb 0.00 -0.25 -0.03 0.00 0.26 0.00 0.00 34.13 34.10 1k3r s GLU 212 CO 0.00 -0.22 -0.01 0.00 -0.54 0.00 0.00 175.26 174.49 1k3r s ALA 213 N 1.53 3.22 -0.21 6.30 0.00 0.14 -2.75 121.76 130.00 1k3r s ALA 213 Ca -0.05 -0.92 -0.04 0.00 0.00 0.00 0.00 51.96 50.95 1k3r s ALA 213 Cb -0.12 -1.33 -0.01 0.00 0.00 0.00 0.00 23.12 21.65 1k3r s ALA 213 CO -0.05 0.62 -0.04 0.00 0.00 0.00 0.00 175.76 176.30 1k3r s ALA 214 N -1.01 2.85 -0.21 0.00 0.00 0.51 -0.96 121.76 122.94 1k3r s ALA 214 Ca 0.17 -1.12 -0.09 0.00 0.00 0.00 0.00 51.96 50.92 1k3r s ALA 214 Cb -0.11 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 1k3r s ALA 214 CO 0.07 -0.34 0.11 0.42 0.00 0.00 0.00 175.76 176.02 1k3r s ILE 215 N 1.33 5.02 -0.16 0.00 -1.09 0.22 0.00 121.20 126.52 1k3r s ILE 215 Ca 0.04 0.06 -0.04 0.00 -2.23 0.00 0.00 60.65 58.48 1k3r s ILE 215 Cb -0.14 -3.30 -0.03 0.00 -1.58 0.00 0.00 42.46 37.40 1k3r s ILE 215 CO -0.02 0.40 -0.03 -0.76 -1.23 0.00 0.00 174.94 173.31 1k3r s LEU 216 N 0.77 3.28 -0.03 2.97 1.43 0.26 -0.34 118.68 127.04 1k3r s LEU 216 Ca 0.06 -0.12 0.07 0.00 -1.03 0.00 0.00 54.13 53.11 1k3r s LEU 216 Cb -0.13 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 1k3r s LEU 216 CO 0.02 0.16 -0.24 -0.36 0.23 0.00 0.00 176.35 176.16 1k3r s PHE 217 N 0.40 2.23 0.25 0.29 0.40 -0.90 -1.77 117.98 118.89 1k3r s PHE 217 Ca -0.03 -0.49 0.01 0.00 -0.60 0.00 0.00 56.93 55.83 1k3r s PHE 217 Cb -0.14 -1.45 0.01 0.00 0.51 0.00 0.00 43.02 41.96 1k3r s PHE 217 CO 0.03 -0.08 0.12 0.41 0.70 0.00 0.00 175.22 176.39 1k3r n GLY 218 N 2.61 3.27 3.92 4.36 0.00 -1.26 -4.18 105.19 113.91 1k3r n GLY 218 Ca -0.16 -2.25 -0.28 0.00 0.00 0.00 0.00 46.02 43.33 1k3r n GLY 218 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k3r s GLY 219 N -2.60 1.67 0.37 -0.02 0.00 -1.11 -4.75 107.32 100.88 1k3r s GLY 219 Ca 0.09 -0.93 0.10 0.00 0.00 0.00 0.00 44.72 43.98 1k3r s GLY 219 CO 0.06 -0.39 1.85 -2.55 0.00 0.00 0.00 173.10 172.07 1k3r h PRO 220 N -1.02 0.16 0.00 2.90 0.11 -1.95 -3.36 132.00 128.83 1k3r h PRO 220 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1k3r h PRO 220 Cb 1.30 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1k3r h PRO 220 CO 0.56 0.41 0.00 2.48 -0.21 0.00 0.00 178.00 181.25 1k3r n TYR 221 N -4.18 0.00 -3.11 0.65 0.18 -1.26 -4.89 117.16 104.55 1k3r n TYR 221 Ca -0.01 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 59.37 1k3r n TYR 221 Cb 0.35 -0.23 -0.05 0.00 -0.38 0.00 0.00 39.34 39.02 1k3r n TYR 221 CO 0.00 0.00 0.00 -1.59 -2.08 0.00 0.00 176.86 173.19 1k3r s LYS 222 N -0.52 4.37 1.07 -3.48 -2.85 -1.26 -5.06 119.74 112.00 1k3r s LYS 222 Ca 0.00 0.74 -0.17 0.00 -1.00 0.00 0.00 55.97 55.54 1k3r s LYS 222 Cb 0.00 -3.48 0.23 0.00 -2.06 0.00 0.00 37.83 32.53 1k3r s LYS 222 CO 0.00 0.01 1.22 0.20 0.10 0.00 0.00 175.35 176.87 1k3r s GLY 223 N 0.85 1.68 0.92 0.59 0.00 -1.26 -2.75 107.32 107.35 1k3r s GLY 223 Ca 0.33 -1.05 -0.11 0.00 0.00 0.00 0.00 44.72 43.90 1k3r s GLY 223 CO 0.15 -0.24 1.12 1.08 0.00 0.00 0.00 173.10 175.21 1k3r s LEU 224 N -6.37 2.58 0.93 0.66 2.01 -1.26 -4.86 118.68 112.37 1k3r s LEU 224 Ca 0.72 2.00 -0.14 0.00 0.01 0.00 0.00 54.13 56.72 1k3r s LEU 224 Cb -0.07 -4.37 0.16 0.00 0.01 0.00 0.00 46.19 41.92 1k3r s LEU 224 CO 0.54 -3.05 1.20 -2.84 1.01 0.00 0.00 176.35 173.21 1k3r s PRO 225 N -4.69 0.92 -0.97 1.29 0.02 -1.26 -4.86 135.00 125.45 1k3r s PRO 225 Ca 0.66 0.01 -0.24 0.00 0.02 0.00 0.00 61.00 61.45 1k3r s PRO 225 Cb -0.22 -1.84 -0.15 0.00 0.02 0.00 0.00 34.50 32.31 1k3r s PRO 225 CO 0.58 -2.29 1.93 0.39 -0.33 0.00 0.00 177.00 177.28 1k3r n GLU 226 N -3.77 1.27 -3.33 5.54 -0.58 -1.26 -4.89 120.64 113.62 1k3r n GLU 226 Ca 0.10 -2.10 -0.19 0.00 -0.42 0.00 0.00 57.16 54.55 1k3r n GLU 226 Cb 0.60 -3.44 -0.01 0.00 -0.57 0.00 0.00 31.44 28.02 1k3r n GLU 226 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1k3r s ILE 227 N 9.87 2.72 -0.47 -3.67 -4.36 -1.26 -5.06 121.20 118.97 1k3r s ILE 227 Ca 0.67 -1.19 -0.16 0.00 -0.26 0.00 0.00 60.65 59.70 1k3r s ILE 227 Cb 0.04 -2.91 0.06 0.00 1.25 0.00 0.00 42.46 40.90 1k3r s ILE 227 CO 0.16 0.00 0.44 -0.62 0.24 0.00 0.00 174.94 175.15 1k3r s ASP 228 N -4.25 6.16 -0.04 4.36 2.15 -1.26 -5.05 116.67 118.75 1k3r s ASP 228 Ca 0.51 -1.14 0.04 0.00 0.43 0.00 0.00 52.55 52.39 1k3r s ASP 228 Cb -0.06 -2.21 -0.00 0.00 -0.30 0.00 0.00 42.92 40.35 1k3r s ASP 228 CO 0.30 -0.67 -0.16 0.00 -0.17 0.00 0.00 175.17 174.47 1k3r s ALA 229 N 1.89 1.39 0.50 3.66 0.00 -1.26 -4.92 121.76 123.03 1k3r s ALA 229 Ca 0.07 -0.63 0.24 0.00 0.00 0.00 0.00 51.96 51.63 1k3r s ALA 229 Cb -0.22 -0.45 1.47 0.00 0.00 0.00 0.00 23.12 23.92 1k3r s ALA 229 CO 0.09 0.26 2.14 -0.44 0.00 0.00 0.00 175.76 177.81 1k3r h ASP 230 N 6.19 0.00 -4.94 0.00 3.32 -1.00 -3.44 116.42 116.56 1k3r h ASP 230 Ca -0.33 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.59 1k3r h ASP 230 Cb 1.17 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.52 1k3r h ASP 230 CO 0.48 0.07 -0.31 -0.63 -1.72 0.00 0.00 179.24 177.13 1k3r s ILE 231 N -4.59 0.06 -0.11 0.35 1.01 -1.01 -4.98 121.20 111.92 1k3r s ILE 231 Ca -0.04 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 1k3r s ILE 231 Cb 0.15 -0.58 0.03 0.00 0.01 0.00 0.00 42.46 42.07 1k3r s ILE 231 CO 0.61 -0.27 -0.07 0.26 0.00 0.00 0.00 174.94 175.48 1k3r s TRP 232 N -1.27 1.41 0.05 3.97 0.52 -1.26 -1.08 118.94 121.28 1k3r s TRP 232 Ca -0.13 -0.70 -0.01 0.00 0.02 0.00 0.00 56.10 55.28 1k3r s TRP 232 Cb -0.05 -1.19 -0.04 0.00 -1.15 0.00 0.00 33.47 31.04 1k3r s TRP 232 CO 0.04 -0.50 -0.03 0.14 0.02 0.00 0.00 176.95 176.61 1k3r s VAL 233 N 1.73 0.23 -0.40 4.03 -7.23 -0.72 -4.05 120.40 113.99 1k3r s VAL 233 Ca 0.05 -1.67 -0.09 0.00 -1.81 0.00 0.00 61.98 58.46 1k3r s VAL 233 Cb -0.13 -1.32 0.06 0.00 0.56 0.00 0.00 36.38 35.56 1k3r s VAL 233 CO -0.08 -0.91 0.22 0.21 -0.31 0.00 0.00 175.10 174.24 1k3r s ASN 234 N -2.68 5.60 0.00 4.85 2.47 -0.31 0.04 114.94 124.91 1k3r s ASN 234 Ca 0.03 -1.37 0.30 0.00 0.42 0.00 0.00 52.86 52.24 1k3r s ASN 234 Cb 0.05 -1.97 1.40 0.00 -1.45 0.00 0.00 41.25 39.28 1k3r s ASN 234 CO -0.08 -0.48 1.97 0.35 -3.72 0.00 0.00 177.10 175.14 1k3r n THR 235 N 4.91 0.00 -2.78 -5.21 -2.24 -1.26 -1.04 114.28 106.66 1k3r n THR 235 Ca -0.11 -0.03 -0.24 0.00 -2.27 0.00 0.00 64.05 61.40 1k3r n THR 235 Cb 0.44 -0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.36 1k3r n THR 235 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1k3r n LEU 236 N -1.08 3.81 -4.72 3.22 4.32 -1.26 -4.85 117.00 116.45 1k3r n LEU 236 Ca 0.15 -5.24 -0.42 0.00 -0.02 0.00 0.00 56.01 50.48 1k3r n LEU 236 Cb 0.25 -0.27 -0.01 0.00 -1.62 0.00 0.00 43.42 41.77 1k3r n LEU 236 CO 0.23 2.23 1.00 -0.81 -1.22 0.00 0.00 177.39 178.82 1k3r n PRO 237 N -0.25 2.29 -2.06 3.23 -0.04 -1.26 -3.08 135.00 133.84 1k3r n PRO 237 Ca 0.31 0.81 -0.10 0.00 -0.04 0.00 0.00 63.50 64.48 1k3r n PRO 237 Cb 0.56 -2.45 -0.01 0.00 -0.04 0.00 0.00 33.50 31.56 1k3r n PRO 237 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1k3r n GLY 238 N 1.06 0.13 3.67 0.55 0.00 -1.26 -4.98 105.19 104.36 1k3r n GLY 238 Ca 0.05 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 1k3r n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k3r n GLN 239 N -2.06 1.48 -0.18 1.61 10.64 -1.18 -4.91 117.38 122.79 1k3r n GLN 239 Ca -0.11 0.54 0.10 0.00 -1.83 0.00 0.00 57.00 55.69 1k3r n GLN 239 Cb 0.55 -2.30 0.19 0.00 -0.86 0.00 0.00 30.24 27.83 1k3r n GLN 239 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1k3r s THR 241 N -1.28 2.77 0.46 0.00 -4.23 -1.26 -5.01 115.64 107.09 1k3r s THR 241 Ca 0.34 -1.50 0.17 0.00 -1.18 0.00 0.00 61.69 59.52 1k3r s THR 241 Cb 0.19 -2.25 0.21 0.00 1.34 0.00 0.00 72.50 71.99 1k3r s THR 241 CO 0.27 0.13 2.03 1.05 -0.54 0.00 0.00 174.62 177.55 1k3r h GLU 242 N 3.84 0.00 -5.64 3.99 4.11 -2.04 -3.43 114.58 115.40 1k3r h GLU 242 Ca -0.50 0.00 -0.46 0.00 0.07 0.00 0.00 59.36 58.47 1k3r h GLU 242 Cb 1.17 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.25 1k3r h GLU 242 CO 0.45 0.15 -0.75 -0.08 0.07 0.00 0.00 179.01 178.85 1k3r s THR 243 N -4.63 1.67 -0.17 -1.06 -1.32 -1.26 -5.09 115.64 103.78 1k3r s THR 243 Ca -0.04 -2.02 -0.02 0.00 -1.21 0.00 0.00 61.69 58.40 1k3r s THR 243 Cb 0.16 -1.87 0.05 0.00 -1.51 0.00 0.00 72.50 69.32 1k3r s THR 243 CO 0.68 -0.47 0.02 -0.69 -2.21 0.00 0.00 174.62 171.95 1k3r s VAL 244 N -2.52 0.54 0.67 5.08 1.01 -1.26 -5.03 120.40 118.89 1k3r s VAL 244 Ca 0.17 -0.43 -0.15 0.00 0.00 0.00 0.00 61.98 61.57 1k3r s VAL 244 Cb -0.03 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.40 1k3r s VAL 244 CO 0.06 -0.09 1.14 -0.13 0.00 0.00 0.00 175.10 176.08 1k3r s ARG 245 N 1.86 2.65 0.15 2.72 3.00 -1.26 -4.27 118.95 123.79 1k3r s ARG 245 Ca 0.00 1.54 -0.17 0.00 0.00 0.00 0.00 55.73 57.10 1k3r s ARG 245 Cb -0.16 -1.92 0.02 0.00 0.00 0.00 0.00 34.95 32.89 1k3r s ARG 245 CO -0.07 -1.40 1.78 1.15 0.00 0.00 0.00 175.30 176.76 1k3r h THR 246 N 0.06 1.00 -0.98 0.02 2.02 -1.93 0.86 112.91 113.96 1k3r h THR 246 Ca -0.47 -0.12 0.12 0.00 0.77 0.00 0.00 66.41 66.70 1k3r h THR 246 Cb 1.26 0.61 -0.08 0.00 -1.74 0.00 0.00 68.15 68.20 1k3r h THR 246 CO 0.53 0.07 0.61 -0.33 0.37 0.00 0.00 175.52 176.77 1k3r h GLU 247 N 0.36 0.94 0.08 6.66 3.07 -1.93 0.54 114.58 124.30 1k3r h GLU 247 Ca 0.14 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.94 1k3r h GLU 247 Cb 0.04 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 27.74 1k3r h GLU 247 CO -0.09 0.62 -0.04 0.93 -1.40 0.00 0.00 179.01 179.04 1k3r h GLU 248 N 0.97 -0.10 0.00 2.33 5.08 -1.71 -2.81 114.58 118.33 1k3r h GLU 248 Ca 0.49 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.83 1k3r h GLU 248 Cb 0.47 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1k3r h GLU 248 CO -0.27 0.14 -0.11 0.00 -1.00 0.00 0.00 179.01 177.77 1k3r h ALA 249 N 0.57 1.72 -0.05 3.43 0.00 -0.24 0.01 119.26 124.69 1k3r h ALA 249 Ca -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1k3r h ALA 249 Cb 0.28 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1k3r h ALA 249 CO 0.02 0.14 -0.02 0.28 0.00 0.00 0.00 179.25 179.67 1k3r h VAL 250 N 0.00 1.31 0.03 0.00 2.07 -0.75 -0.89 116.25 118.03 1k3r h VAL 250 Ca -0.00 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 1k3r h VAL 250 Cb 0.21 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1k3r h VAL 250 CO 0.01 0.27 -0.01 0.25 0.02 0.00 0.00 177.57 178.11 1k3r h LEU 251 N -0.26 -0.03 -0.79 2.57 5.85 -1.24 0.01 115.31 121.42 1k3r h LEU 251 Ca 0.01 -0.25 0.08 0.00 0.84 0.00 0.00 57.88 58.57 1k3r h LEU 251 Cb 0.44 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.41 1k3r h LEU 251 CO 0.01 0.23 0.45 0.00 -0.34 0.00 0.00 178.44 178.78 1k3r h ALA 252 N 0.66 1.10 -0.20 1.25 0.00 -1.00 -1.36 119.26 119.70 1k3r h ALA 252 Ca -0.00 0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 1k3r h ALA 252 Cb 0.28 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1k3r h ALA 252 CO 0.01 0.10 -0.64 1.15 0.00 0.00 0.00 179.25 179.87 1k3r h THR 253 N 0.78 1.28 -0.44 0.00 2.02 -1.07 -2.60 112.91 112.89 1k3r h THR 253 Ca 0.37 -1.84 -0.04 0.00 0.77 0.00 0.00 66.41 65.66 1k3r h THR 253 Cb 0.29 1.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 1k3r h THR 253 CO -0.22 0.59 0.09 -0.07 0.37 0.00 0.00 175.52 176.27 1k3r h LEU 254 N 0.54 0.61 -0.31 2.58 4.07 -0.58 -1.15 115.31 121.07 1k3r h LEU 254 Ca -0.02 -0.10 -0.11 0.00 0.08 0.00 0.00 57.88 57.72 1k3r h LEU 254 Cb 1.27 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.84 1k3r h LEU 254 CO 0.14 0.63 -0.25 -1.28 -1.08 0.00 0.00 178.44 176.59 1k3r h SER 255 N 0.64 0.76 -0.56 -0.43 0.87 -1.23 0.03 113.55 113.62 1k3r h SER 255 Ca 0.14 -0.45 -0.05 0.00 -1.23 0.00 0.00 61.79 60.20 1k3r h SER 255 Cb 0.27 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 1k3r h SER 255 CO 0.00 1.05 0.16 0.58 -0.53 0.00 0.00 176.83 178.09 1k3r h VAL 256 N 0.47 1.24 -0.42 2.23 2.07 -1.20 -3.01 116.25 117.63 1k3r h VAL 256 Ca 0.06 -0.84 -0.13 0.00 0.82 0.00 0.00 66.70 66.60 1k3r h VAL 256 Cb 0.81 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1k3r h VAL 256 CO 0.07 0.31 -0.26 -0.26 0.02 0.00 0.00 177.57 177.45 1k3r h PHE 257 N 0.80 1.03 -0.77 1.57 -1.00 -1.13 -2.74 116.94 114.70 1k3r h PHE 257 Ca 0.18 -0.26 0.20 0.00 2.81 0.00 0.00 57.97 60.90 1k3r h PHE 257 Cb 0.31 -0.24 -0.04 0.00 3.61 0.00 0.00 35.95 39.59 1k3r h PHE 257 CO 0.02 1.05 0.54 -0.97 -1.61 0.00 0.00 178.31 177.34 1k3r h ASN 258 N 0.76 0.13 1.10 2.17 -1.24 -0.86 0.30 115.58 117.94 1k3r h ASN 258 Ca 0.09 0.01 -0.15 0.00 0.71 0.00 0.00 56.30 56.97 1k3r h ASN 258 Cb 0.82 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.83 1k3r h ASN 258 CO 0.07 0.06 -0.95 0.00 -1.29 0.00 0.00 177.43 175.31 1k3r h MET 259 N 0.13 0.00 -0.03 6.67 -0.00 -1.39 -3.17 114.93 117.14 1k3r h MET 259 Ca 0.37 0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 59.90 1k3r h MET 259 Cb 1.29 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.87 1k3r h MET 259 CO -0.05 0.47 -0.75 -0.07 -0.00 0.00 0.00 176.91 176.50 1k3r h LEU 260 N 0.00 0.29 -3.78 -0.10 3.38 -0.86 -3.20 115.31 111.04 1k3r h LEU 260 Ca -0.08 -0.20 -0.29 0.00 0.09 0.00 0.00 57.88 57.40 1k3r h LEU 260 Cb 1.52 -0.09 -0.11 0.00 0.09 0.00 0.00 40.66 42.07 1k3r h LEU 260 CO 0.06 0.93 0.19 0.41 0.09 0.00 0.00 178.44 180.13 1k3r n THR 261 N -3.76 2.83 -0.31 0.22 -1.04 -0.69 -4.89 114.28 106.64 1k3r n THR 261 Ca -0.03 -1.80 0.00 0.00 -2.04 0.00 0.00 64.05 60.18 1k3r n THR 261 Cb 0.72 -1.55 0.00 0.00 -1.82 0.00 0.00 70.33 67.68 1k3r n THR 261 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10