#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ktn s LEU -1 N 0.00 4.39 -0.30 1.04 2.96 -1.26 -4.83 118.68 120.68 3ktn s LEU -1 Ca 0.00 2.47 -0.18 0.00 -0.22 0.00 0.00 54.13 56.20 3ktn s LEU -1 Cb 0.00 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.07 3ktn s LEU -1 CO 0.00 -0.63 0.54 -0.54 -1.32 0.00 0.00 176.35 174.40 3ktn s LYS 2 N 0.27 3.91 -0.08 1.98 1.02 -1.26 -3.83 119.74 121.76 3ktn s LYS 2 Ca 0.61 0.19 0.04 0.00 0.02 0.00 0.00 55.97 56.82 3ktn s LYS 2 Cb -0.39 -3.71 -0.02 0.00 -0.52 0.00 0.00 37.83 33.20 3ktn s LYS 2 CO 0.37 -0.48 -0.18 0.42 -0.92 0.00 0.00 175.35 174.55 3ktn s ILE 3 N 2.41 2.63 0.29 2.17 1.01 -0.21 -1.36 121.20 128.13 3ktn s ILE 3 Ca 0.21 -0.85 0.11 0.00 0.00 0.00 0.00 60.65 60.13 3ktn s ILE 3 Cb -0.15 -2.03 -0.05 0.00 0.01 0.00 0.00 42.46 40.24 3ktn s ILE 3 CO 0.11 0.56 -0.17 0.00 0.00 0.00 0.00 174.94 175.44 3ktn s ALA 4 N -0.16 2.76 -0.01 9.38 0.00 -1.26 -2.06 121.76 130.42 3ktn s ALA 4 Ca -0.02 -1.92 -0.01 0.00 0.00 0.00 0.00 51.96 50.02 3ktn s ALA 4 Cb -0.14 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.78 3ktn s ALA 4 CO 0.04 0.23 0.02 0.00 0.00 0.00 0.00 175.76 176.04 3ktn s ALA 5 N -2.56 -0.05 -0.30 0.00 0.00 -0.79 -0.39 121.76 117.68 3ktn s ALA 5 Ca 0.30 0.02 -0.07 0.00 0.00 0.00 0.00 51.96 52.21 3ktn s ALA 5 Cb -0.03 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.07 3ktn s ALA 5 CO 0.15 -0.02 0.10 0.12 0.00 0.00 0.00 175.76 176.11 3ktn s PHE 6 N -0.08 3.16 0.00 0.00 5.36 0.37 -0.13 117.98 126.65 3ktn s PHE 6 Ca -0.01 -0.91 0.00 0.00 -0.96 0.00 0.00 56.93 55.05 3ktn s PHE 6 Cb -0.01 -2.28 0.00 0.00 -0.34 0.00 0.00 43.02 40.39 3ktn s PHE 6 CO -0.00 -0.56 0.00 0.41 -1.46 0.00 0.00 175.22 173.61 3ktn n GLY 7 N 4.89 1.76 3.66 13.12 0.00 -0.98 -2.01 105.19 125.64 3ktn n GLY 7 Ca -0.14 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 3ktn n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ktn s GLU 8 N -0.02 2.72 0.40 1.61 2.12 -1.26 -4.53 118.70 119.74 3ktn s GLU 8 Ca 0.00 -0.64 0.08 0.00 0.36 0.00 0.00 54.97 54.77 3ktn s GLU 8 Cb 0.00 -2.62 -0.03 0.00 0.26 0.00 0.00 34.13 31.73 3ktn s GLU 8 CO 0.00 0.62 0.27 0.08 -0.54 0.00 0.00 175.26 175.69 3ktn s VAL 9 N -1.06 2.64 -0.05 3.70 1.01 -1.26 -4.37 120.40 121.01 3ktn s VAL 9 Ca 0.19 -1.51 0.02 0.00 0.00 0.00 0.00 61.98 60.68 3ktn s VAL 9 Cb -0.11 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.27 3ktn s VAL 9 CO 0.09 -0.04 -0.11 -0.76 0.00 0.00 0.00 175.10 174.29 3ktn s LEU 11 N -4.01 1.64 -0.13 3.92 1.02 -0.05 -4.27 118.68 116.80 3ktn s LEU 11 Ca 0.44 -0.26 0.00 0.00 0.02 0.00 0.00 54.13 54.33 3ktn s LEU 11 Cb -0.01 -0.74 -0.01 0.00 0.02 0.00 0.00 46.19 45.45 3ktn s LEU 11 CO 0.25 0.03 -0.14 -0.60 0.02 0.00 0.00 176.35 175.91 3ktn s ARG 12 N 0.58 3.31 -0.17 1.70 3.52 0.43 -1.10 118.95 127.21 3ktn s ARG 12 Ca -0.12 -0.72 -0.03 0.00 -0.13 0.00 0.00 55.73 54.74 3ktn s ARG 12 Cb -0.14 -2.61 -0.02 0.00 -1.56 0.00 0.00 34.95 30.62 3ktn s ARG 12 CO 0.03 0.15 -0.07 -0.06 -0.81 0.00 0.00 175.30 174.54 3ktn s PHE 13 N 0.49 2.93 -0.04 5.12 0.08 -0.17 -1.14 117.98 125.24 3ktn s PHE 13 Ca -0.10 -0.64 0.01 0.00 0.12 0.00 0.00 56.93 56.32 3ktn s PHE 13 Cb -0.16 -1.97 0.02 0.00 -0.57 0.00 0.00 43.02 40.34 3ktn s PHE 13 CO 0.05 -0.28 -0.03 0.99 -0.10 0.00 0.00 175.22 175.85 3ktn s THR 14 N 0.76 0.44 0.62 0.64 2.01 -0.30 -0.54 115.64 119.28 3ktn s THR 14 Ca -0.03 -0.05 -0.15 0.00 0.31 0.00 0.00 61.69 61.77 3ktn s THR 14 Cb -0.15 -0.49 -0.02 0.00 0.01 0.00 0.00 72.50 71.84 3ktn s THR 14 CO 0.02 0.21 1.07 -2.84 -0.69 0.00 0.00 174.62 172.39 3ktn s PRO 15 N 1.04 3.13 0.90 4.92 0.02 -1.26 -0.73 135.00 143.03 3ktn s PRO 15 Ca -0.09 1.25 -0.12 0.00 0.02 0.00 0.00 61.00 62.06 3ktn s PRO 15 Cb -0.14 -2.00 0.13 0.00 0.02 0.00 0.00 34.50 32.51 3ktn s PRO 15 CO -0.01 -0.97 1.09 -1.25 -0.33 0.00 0.00 177.00 175.54 3ktn s PRO 16 N -4.13 1.20 5.20 5.54 0.04 -1.26 -4.69 135.00 136.90 3ktn s PRO 16 Ca 0.64 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.47 3ktn s PRO 16 Cb -0.17 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.56 3ktn s PRO 16 CO 0.39 -2.27 0.00 0.39 0.04 0.00 0.00 177.00 175.55 3ktn n GLU 17 N -3.90 0.00 -0.43 4.56 1.02 -1.26 -2.01 120.64 118.62 3ktn n GLU 17 Ca 0.07 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.28 3ktn n GLU 17 Cb 0.55 0.00 0.19 0.00 -0.02 0.00 0.00 31.44 32.16 3ktn n GLU 17 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3ktn n TYR 18 N 14.00 0.00 0.00 -0.32 4.01 -1.26 -4.99 117.16 128.60 3ktn n TYR 18 Ca 0.00 -1.33 0.00 0.00 -0.16 0.00 0.00 57.90 56.41 3ktn n TYR 18 Cb 0.00 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 38.81 3ktn n TYR 18 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3ktn n LEU 19 N -1.22 0.00 0.00 7.72 4.77 -0.85 -4.88 117.00 122.54 3ktn n LEU 19 Ca 0.18 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.96 3ktn n LEU 19 Cb 0.67 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.63 3ktn n LEU 19 CO -0.02 -0.15 -0.79 0.18 -1.33 0.00 0.00 177.39 175.28 3ktn n LEU 21 N 0.00 2.47 0.00 2.23 4.77 -1.26 -4.69 117.00 120.52 3ktn n LEU 21 Ca 0.00 0.23 0.11 0.00 -0.03 0.00 0.00 56.01 56.31 3ktn n LEU 21 Cb 0.00 -0.99 0.55 0.00 -2.33 0.00 0.00 43.42 40.64 3ktn n LEU 21 CO 0.00 0.81 0.84 -0.62 -1.33 0.00 0.00 177.39 177.09 3ktn n GLU 22 N -3.44 0.33 -0.03 3.23 1.02 -1.26 -3.36 120.64 117.13 3ktn n GLU 22 Ca -0.31 0.08 0.06 0.00 -0.02 0.00 0.00 57.16 56.97 3ktn n GLU 22 Cb 1.05 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 30.80 3ktn n GLU 22 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3ktn n GLN 23 N -1.27 0.68 -3.66 3.49 6.02 -1.26 -5.02 117.38 116.36 3ktn n GLN 23 Ca 0.11 -0.15 -0.13 0.00 -0.01 0.00 0.00 57.00 56.82 3ktn n GLN 23 Cb 0.16 -1.51 -0.06 0.00 1.02 0.00 0.00 30.24 29.85 3ktn n GLN 23 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3ktn s THR 24 N -3.23 0.05 -1.05 5.09 -1.32 -1.21 -5.01 115.64 108.96 3ktn s THR 24 Ca -0.08 -0.43 0.24 0.00 -1.21 0.00 0.00 61.69 60.20 3ktn s THR 24 Cb 0.12 -0.94 -0.05 0.00 -1.51 0.00 0.00 72.50 70.11 3ktn s THR 24 CO 0.87 -0.24 1.28 -1.84 -2.21 0.00 0.00 174.62 172.48 3ktn n GLU 25 N 0.52 0.06 -2.43 7.08 0.00 -1.26 -4.74 120.64 119.87 3ktn n GLU 25 Ca -0.19 -0.04 -0.39 0.00 0.00 0.00 0.00 57.16 56.55 3ktn n GLU 25 Cb 0.60 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.50 3ktn n GLU 25 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 3ktn s GLN 26 N -2.97 4.37 0.09 3.44 -0.21 -1.26 -5.06 119.66 118.06 3ktn s GLN 26 Ca 0.11 1.76 -0.15 0.00 0.02 0.00 0.00 55.36 57.10 3ktn s GLN 26 Cb 0.17 -2.90 0.03 0.00 1.00 0.00 0.00 33.01 31.31 3ktn s GLN 26 CO 0.74 -0.02 0.36 -0.51 -2.12 0.00 0.00 175.29 173.73 3ktn s LEU 27 N -2.01 0.62 0.00 2.90 1.43 -1.26 -4.32 118.68 116.05 3ktn s LEU 27 Ca 0.51 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 3ktn s LEU 27 Cb -0.30 1.63 -0.00 0.00 0.03 0.00 0.00 46.19 47.55 3ktn s LEU 27 CO 0.38 -0.76 0.01 0.54 0.23 0.00 0.00 176.35 176.74 3ktn n ARG 28 N 0.06 1.24 0.00 1.70 1.74 0.09 -4.94 116.66 116.56 3ktn n ARG 28 Ca -0.17 -2.12 0.00 0.00 -0.77 0.00 0.00 57.85 54.79 3ktn n ARG 28 Cb 0.62 0.62 0.00 0.00 -1.02 0.00 0.00 32.46 32.68 3ktn n ARG 28 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3ktn n ASN 30 N -1.23 0.00 -4.54 0.55 4.13 -0.29 -1.15 115.26 112.73 3ktn n ASN 30 Ca -0.11 0.00 -0.40 0.00 1.68 0.00 0.00 54.58 55.74 3ktn n ASN 30 Cb 0.37 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.51 3ktn n ASN 30 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3ktn s PHE 31 N -2.00 3.22 0.10 3.10 0.08 -1.26 -0.43 117.98 120.79 3ktn s PHE 31 Ca 0.00 -0.08 0.01 0.00 0.12 0.00 0.00 56.93 56.98 3ktn s PHE 31 Cb 0.00 -2.57 -0.00 0.00 -0.57 0.00 0.00 43.02 39.88 3ktn s PHE 31 CO 0.00 -0.38 0.04 1.33 -0.10 0.00 0.00 175.22 176.11 3ktn n VAL 32 N 5.17 0.00 0.00 -0.44 0.24 -1.26 -4.97 118.33 117.07 3ktn n VAL 32 Ca -0.11 -0.61 0.00 0.00 -2.04 0.00 0.00 64.34 61.58 3ktn n VAL 32 Cb 0.50 0.23 0.00 0.00 -1.47 0.00 0.00 33.84 33.10 3ktn n VAL 32 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ktn n GLY 33 N 1.23 4.29 0.24 7.63 0.00 -1.26 -4.40 105.19 112.92 3ktn n GLY 33 Ca -0.01 -1.18 -0.04 0.00 0.00 0.00 0.00 46.02 44.79 3ktn n GLY 33 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ktn h THR 34 N 3.30 0.42 -0.37 2.61 2.02 -2.00 0.19 112.91 119.09 3ktn h THR 34 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 3ktn h THR 34 Cb 0.00 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 3ktn h THR 34 CO 0.00 0.00 0.01 1.23 0.37 0.00 0.00 175.52 177.13 3ktn h GLY 35 N -0.08 0.61 0.62 2.16 0.00 -1.93 -1.24 103.07 103.22 3ktn h GLY 35 Ca 0.22 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 3ktn h GLY 35 CO -0.52 0.34 -0.07 -2.08 0.00 0.00 0.00 176.54 174.22 3ktn h VAL 36 N 0.55 1.37 -0.44 4.60 2.07 -1.49 -1.84 116.25 121.06 3ktn h VAL 36 Ca 0.12 -1.23 0.01 0.00 0.82 0.00 0.00 66.70 66.42 3ktn h VAL 36 Cb 0.34 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 3ktn h VAL 36 CO 0.01 0.34 0.28 0.78 0.02 0.00 0.00 177.57 179.00 3ktn h ASN 37 N -0.27 0.47 0.85 0.57 2.35 -0.54 0.88 115.58 119.89 3ktn h ASN 37 Ca 0.01 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 3ktn h ASN 37 Cb 0.58 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.85 3ktn h ASN 37 CO 0.02 0.34 -0.41 0.25 -1.65 0.00 0.00 177.43 175.98 3ktn h LEU 38 N 0.57 -0.97 -1.31 1.61 5.85 -1.26 -2.35 115.31 117.46 3ktn h LEU 38 Ca 0.17 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 3ktn h LEU 38 Cb -0.04 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3ktn h LEU 38 CO -0.05 -0.66 0.22 -0.07 -0.34 0.00 0.00 178.44 177.54 3ktn h LEU 39 N -1.19 0.63 -0.29 2.25 3.38 -1.27 -1.70 115.31 117.12 3ktn h LEU 39 Ca -0.12 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3ktn h LEU 39 Cb 0.88 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3ktn h LEU 39 CO 0.19 0.55 0.16 0.00 0.09 0.00 0.00 178.44 179.43 3ktn h ALA 40 N 1.55 0.37 -0.38 1.53 0.00 -0.79 0.23 119.26 121.77 3ktn h ALA 40 Ca 0.17 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3ktn h ALA 40 Cb 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3ktn h ALA 40 CO -0.02 -0.11 0.04 -0.97 0.00 0.00 0.00 179.25 178.19 3ktn h ASN 41 N 0.35 0.62 -0.46 0.00 -0.73 -1.13 -1.46 115.58 112.78 3ktn h ASN 41 Ca 0.10 -0.28 -0.04 0.00 1.87 0.00 0.00 56.30 57.96 3ktn h ASN 41 Cb 0.05 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.45 3ktn h ASN 41 CO -0.02 0.74 0.17 -0.07 -0.37 0.00 0.00 177.43 177.88 3ktn h LEU 42 N 0.47 0.69 -0.85 0.34 3.38 -1.10 -0.68 115.31 117.56 3ktn h LEU 42 Ca 0.11 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3ktn h LEU 42 Cb 0.40 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3ktn h LEU 42 CO 0.01 0.65 -0.19 0.00 0.09 0.00 0.00 178.44 179.00 3ktn h ALA 43 N 1.45 1.03 0.00 1.53 0.00 -0.29 -1.18 119.26 121.79 3ktn h ALA 43 Ca 0.17 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3ktn h ALA 43 Cb 0.21 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ktn h ALA 43 CO -0.01 0.58 0.00 0.45 0.00 0.00 0.00 179.25 180.27 3ktn h HIS 44 N 0.57 0.00 -0.20 0.00 3.86 -0.31 0.13 115.15 119.20 3ktn h HIS 44 Ca 0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 3ktn h HIS 44 Cb 0.65 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.12 3ktn h HIS 44 CO 0.03 0.00 0.00 1.19 0.86 0.00 0.00 177.93 180.01 3ktn n PHE 45 N -2.92 0.25 -2.39 2.45 3.72 -0.35 -4.53 117.46 113.69 3ktn n PHE 45 Ca 0.01 -0.13 -0.07 0.00 -0.05 0.00 0.00 57.45 57.22 3ktn n PHE 45 Cb 0.31 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.86 3ktn n PHE 45 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3ktn n GLN 46 N 0.32 -1.26 -4.08 -1.08 6.02 0.03 -4.90 117.38 112.42 3ktn n GLN 46 Ca 0.15 0.30 -0.24 0.00 -0.01 0.00 0.00 57.00 57.20 3ktn n GLN 46 Cb 0.31 -3.97 -0.05 0.00 1.02 0.00 0.00 30.24 27.56 3ktn n GLN 46 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3ktn s LEU 47 N -2.31 3.86 -0.09 1.08 1.43 -0.74 -4.95 118.68 116.96 3ktn s LEU 47 Ca 0.07 -0.15 -0.27 0.00 -1.03 0.00 0.00 54.13 52.74 3ktn s LEU 47 Cb -0.03 -2.43 -0.02 0.00 0.03 0.00 0.00 46.19 43.74 3ktn s LEU 47 CO 0.08 0.02 0.89 -1.61 0.23 0.00 0.00 176.35 175.96 3ktn s GLU 48 N -3.43 4.43 0.09 1.70 2.02 -1.25 -4.22 118.70 118.05 3ktn s GLU 48 Ca 0.32 1.19 0.05 0.00 0.02 0.00 0.00 54.97 56.55 3ktn s GLU 48 Cb -0.09 -3.51 -0.03 0.00 0.10 0.00 0.00 34.13 30.60 3ktn s GLU 48 CO 0.24 -0.17 -0.13 0.95 0.02 0.00 0.00 175.26 176.18 3ktn s THR 49 N 1.53 1.09 -0.16 3.63 -4.23 -1.26 -1.05 115.64 115.20 3ktn s THR 49 Ca 0.44 -1.50 -0.12 0.00 -1.18 0.00 0.00 61.69 59.32 3ktn s THR 49 Cb -0.18 -1.26 0.05 0.00 1.34 0.00 0.00 72.50 72.45 3ktn s THR 49 CO 0.19 -0.38 0.41 0.00 -0.54 0.00 0.00 174.62 174.30 3ktn s ALA 50 N -1.86 -1.02 -0.18 3.99 0.00 -0.87 -1.65 121.76 120.17 3ktn s ALA 50 Ca 0.03 1.29 -0.08 0.00 0.00 0.00 0.00 51.96 53.19 3ktn s ALA 50 Cb -0.07 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 3ktn s ALA 50 CO 0.02 -0.22 0.10 -1.17 0.00 0.00 0.00 175.76 174.49 3ktn s LEU 51 N 0.64 4.05 -0.34 0.00 2.96 -1.18 -1.88 118.68 122.93 3ktn s LEU 51 Ca -0.03 0.19 -0.10 0.00 -0.22 0.00 0.00 54.13 53.96 3ktn s LEU 51 Cb -0.05 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.62 3ktn s LEU 51 CO -0.04 0.21 0.18 -0.63 -1.32 0.00 0.00 176.35 174.75 3ktn s ILE 52 N 0.19 4.67 0.03 6.68 1.01 0.81 -3.85 121.20 130.75 3ktn s ILE 52 Ca 0.07 -0.55 -0.06 0.00 0.00 0.00 0.00 60.65 60.12 3ktn s ILE 52 Cb -0.12 -3.46 0.02 0.00 0.01 0.00 0.00 42.46 38.91 3ktn s ILE 52 CO -0.00 -0.05 0.26 1.07 0.00 0.00 0.00 174.94 176.22 3ktn n THR 53 N 5.00 0.00 -4.24 2.92 5.66 -1.22 -2.31 114.28 120.09 3ktn n THR 53 Ca -0.13 -0.10 -0.20 0.00 -3.05 0.00 0.00 64.05 60.57 3ktn n THR 53 Cb 0.48 0.17 -0.12 0.00 -1.55 0.00 0.00 70.33 69.31 3ktn n THR 53 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3ktn s LYS 54 N -2.01 0.93 0.01 1.09 -0.14 -1.26 -1.55 119.74 116.81 3ktn s LYS 54 Ca 0.06 -0.98 0.00 0.00 -1.36 0.00 0.00 55.97 53.70 3ktn s LYS 54 Cb -0.01 -1.01 -0.01 0.00 -1.68 0.00 0.00 37.83 35.13 3ktn s LYS 54 CO 0.01 0.23 -0.02 -0.51 -0.76 0.00 0.00 175.35 174.30 3ktn s LEU 55 N -1.67 2.09 0.60 3.17 1.43 0.22 -3.98 118.68 120.54 3ktn s LEU 55 Ca 0.01 -0.21 -0.19 0.00 -1.03 0.00 0.00 54.13 52.71 3ktn s LEU 55 Cb -0.10 -0.02 -0.03 0.00 0.03 0.00 0.00 46.19 46.08 3ktn s LEU 55 CO 0.03 -0.10 1.27 -2.16 0.23 0.00 0.00 176.35 175.62 3ktn s PRO 56 N -0.58 2.87 -1.36 1.29 0.04 -1.10 -2.12 135.00 134.04 3ktn s PRO 56 Ca -0.05 2.01 -0.12 0.00 0.04 0.00 0.00 61.00 62.88 3ktn s PRO 56 Cb -0.04 -1.98 0.11 0.00 0.04 0.00 0.00 34.50 32.63 3ktn s PRO 56 CO -0.00 -1.34 2.01 0.00 0.04 0.00 0.00 177.00 177.71 3ktn n ALA 57 N -1.55 5.34 -2.77 8.56 0.00 -1.26 -3.91 120.51 124.92 3ktn n ALA 57 Ca 0.14 -4.11 -0.15 0.00 0.00 0.00 0.00 53.44 49.32 3ktn n ALA 57 Cb 0.48 -3.25 -0.05 0.00 0.00 0.00 0.00 19.45 16.63 3ktn n ALA 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ktn s ASN 58 N 2.04 0.91 0.46 0.00 2.20 -1.26 -5.01 114.94 114.28 3ktn s ASN 58 Ca 0.43 -1.48 0.13 0.00 -0.94 0.00 0.00 52.86 51.00 3ktn s ASN 58 Cb 0.11 0.62 1.08 0.00 -2.00 0.00 0.00 41.25 41.06 3ktn s ASN 58 CO -0.03 -1.22 2.06 0.03 -2.94 0.00 0.00 177.10 175.00 3ktn h ARG 59 N 2.16 0.29 -0.27 3.55 3.08 -1.99 0.26 114.38 121.46 3ktn h ARG 59 Ca -0.28 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.61 3ktn h ARG 59 Cb 1.24 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.22 3ktn h ARG 59 CO 0.39 0.19 -0.37 1.25 -1.07 0.00 0.00 179.97 180.36 3ktn h LEU 60 N 0.29 0.80 -0.86 3.04 5.85 -1.97 -0.66 115.31 121.81 3ktn h LEU 60 Ca 0.14 -0.50 -0.07 0.00 0.84 0.00 0.00 57.88 58.29 3ktn h LEU 60 Cb 0.19 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3ktn h LEU 60 CO -0.03 1.14 0.12 1.23 -0.34 0.00 0.00 178.44 180.56 3ktn h GLY 61 N 0.47 1.04 1.29 3.75 0.00 -1.42 -0.66 103.07 107.54 3ktn h GLY 61 Ca 0.03 -0.65 -0.08 0.00 0.00 0.00 0.00 47.33 46.63 3ktn h GLY 61 CO 0.09 0.61 -0.03 0.83 0.00 0.00 0.00 176.54 178.03 3ktn h GLU 62 N 0.92 0.86 -0.11 4.80 4.39 -0.81 -1.56 114.58 123.07 3ktn h GLU 62 Ca 0.19 -0.25 -0.09 0.00 0.34 0.00 0.00 59.36 59.54 3ktn h GLU 62 Cb 0.37 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 3ktn h GLU 62 CO 0.01 0.87 -0.35 0.00 -1.16 0.00 0.00 179.01 178.38 3ktn h ALA 63 N 1.17 1.21 -0.35 3.43 0.00 -0.70 -1.81 119.26 122.20 3ktn h ALA 63 Ca 0.15 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 3ktn h ALA 63 Cb 0.51 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3ktn h ALA 63 CO 0.03 0.54 0.04 0.78 0.00 0.00 0.00 179.25 180.63 3ktn h GLY 64 N 1.12 0.65 1.44 0.00 0.00 -0.38 -1.65 103.07 104.25 3ktn h GLY 64 Ca 0.02 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 46.83 3ktn h GLY 64 CO 0.05 0.41 -0.08 0.50 0.00 0.00 0.00 176.54 177.43 3ktn h LYS 65 N 0.43 0.68 -0.84 4.80 1.57 -1.07 -1.98 116.57 120.15 3ktn h LYS 65 Ca 0.11 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 3ktn h LYS 65 Cb 0.39 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 3ktn h LYS 65 CO 0.01 0.75 0.43 0.00 -0.57 0.00 0.00 179.45 180.08 3ktn h ALA 66 N 1.29 1.18 -0.56 3.86 0.00 -1.11 -1.72 119.26 122.19 3ktn h ALA 66 Ca 0.11 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3ktn h ALA 66 Cb 0.51 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3ktn h ALA 66 CO 0.03 0.64 -0.04 0.00 0.00 0.00 0.00 179.25 179.88 3ktn h ALA 67 N 1.29 0.88 -0.32 0.00 0.00 -0.86 -0.85 119.26 119.39 3ktn h ALA 67 Ca 0.29 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3ktn h ALA 67 Cb 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3ktn h ALA 67 CO -0.04 0.65 0.17 -0.07 0.00 0.00 0.00 179.25 179.96 3ktn h LEU 68 N 0.90 0.41 -0.38 0.00 3.38 -0.87 -1.98 115.31 116.77 3ktn h LEU 68 Ca 0.16 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3ktn h LEU 68 Cb 0.58 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3ktn h LEU 68 CO 0.03 0.40 0.16 0.03 0.09 0.00 0.00 178.44 179.16 3ktn h ARG 69 N 0.39 0.56 -0.93 1.13 3.08 -1.16 -0.43 114.38 117.01 3ktn h ARG 69 Ca 0.11 -0.09 0.14 0.00 0.07 0.00 0.00 59.98 60.21 3ktn h ARG 69 Cb 0.09 -0.09 -0.09 0.00 0.08 0.00 0.00 29.97 29.95 3ktn h ARG 69 CO -0.02 0.52 0.54 -0.22 -1.07 0.00 0.00 179.97 179.73 3ktn h LYS 70 N 0.47 0.77 0.00 0.04 3.64 -0.95 0.36 116.57 120.89 3ktn h LYS 70 Ca 0.13 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3ktn h LYS 70 Cb 0.16 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3ktn h LYS 70 CO -0.01 0.51 0.00 1.28 -2.27 0.00 0.00 179.45 178.96 3ktn n LEU 71 N -4.75 0.18 0.00 5.20 4.77 -0.76 -4.87 117.00 116.77 3ktn n LEU 71 Ca 0.19 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.71 3ktn n LEU 71 Cb 0.43 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3ktn n LEU 71 CO 0.24 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 3ktn n GLY 72 N 0.25 0.83 3.76 -0.72 0.00 0.13 -4.62 105.19 104.82 3ktn n GLY 72 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3ktn n GLY 72 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ktn s ILE 73 N -2.05 5.15 0.28 -0.61 1.01 -0.20 -4.67 121.20 120.11 3ktn s ILE 73 Ca 0.00 0.83 -0.29 0.00 0.00 0.00 0.00 60.65 61.19 3ktn s ILE 73 Cb 0.00 -3.74 -0.10 0.00 0.01 0.00 0.00 42.46 38.63 3ktn s ILE 73 CO 0.00 0.43 1.23 -0.55 0.00 0.00 0.00 174.94 176.05 3ktn s SER 74 N -0.03 6.99 -0.08 3.58 0.15 -0.66 -3.20 113.70 120.45 3ktn s SER 74 Ca 0.23 2.45 0.15 0.00 0.70 0.00 0.00 55.95 59.49 3ktn s SER 74 Cb -0.15 -2.63 0.49 0.00 -1.71 0.00 0.00 66.02 62.02 3ktn s SER 74 CO 0.10 -0.39 1.42 -0.90 1.20 0.00 0.00 173.24 174.67 3ktn n ASP 75 N 1.43 3.73 -0.24 5.45 5.75 -1.26 -3.11 116.55 128.30 3ktn n ASP 75 Ca 0.01 -2.39 0.06 0.00 -0.01 0.00 0.00 54.79 52.46 3ktn n ASP 75 Cb 0.43 -0.42 0.31 0.00 -1.03 0.00 0.00 41.12 40.41 3ktn n ASP 75 CO 0.00 0.00 0.00 0.06 -0.11 0.00 0.00 177.20 177.15 3ktn h GLN 76 N 2.64 0.84 -0.62 0.11 3.07 -1.91 -2.24 115.11 117.00 3ktn h GLN 76 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.69 3ktn h GLN 76 Cb 1.13 -0.19 0.00 0.00 0.08 0.00 0.00 27.48 28.50 3ktn h GLN 76 CO 0.12 0.56 0.00 0.91 0.09 0.00 0.00 178.83 180.51 3ktn n TRP 77 N -4.49 1.89 -3.25 0.06 8.01 -1.26 -4.83 117.44 113.57 3ktn n TRP 77 Ca 0.13 -0.66 -0.43 0.00 -1.31 0.00 0.00 57.50 55.23 3ktn n TRP 77 Cb 0.24 -0.47 -0.08 0.00 -2.01 0.00 0.00 31.31 28.99 3ktn n TRP 77 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 3ktn s VAL 78 N -2.58 5.01 0.53 -0.99 1.01 -0.84 -3.42 120.40 119.11 3ktn s VAL 78 Ca 0.50 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.43 3ktn s VAL 78 Cb 0.38 -4.06 0.03 0.00 0.00 0.00 0.00 36.38 32.73 3ktn s VAL 78 CO 0.15 -0.42 0.74 -0.83 0.00 0.00 0.00 175.10 174.74 3ktn s GLY 79 N 1.85 1.85 -0.07 4.51 0.00 -0.60 -4.88 107.32 109.99 3ktn s GLY 79 Ca 0.16 -1.42 -0.12 0.00 0.00 0.00 0.00 44.72 43.34 3ktn s GLY 79 CO 0.15 -1.15 0.29 -0.54 0.00 0.00 0.00 173.10 171.85 3ktn s GLU 80 N -4.69 3.79 -0.24 2.90 2.02 -1.26 -0.61 118.70 120.61 3ktn s GLU 80 Ca 0.57 0.16 -0.30 0.00 0.02 0.00 0.00 54.97 55.42 3ktn s GLU 80 Cb -0.10 -3.24 0.17 0.00 0.10 0.00 0.00 34.13 31.06 3ktn s GLU 80 CO 0.38 0.66 1.26 0.21 0.02 0.00 0.00 175.26 177.78 3ktn s LYS 81 N -0.83 0.21 2.79 1.61 2.47 -0.90 -4.87 119.74 120.23 3ktn s LYS 81 Ca 0.19 0.03 0.00 0.00 -1.56 0.00 0.00 55.97 54.63 3ktn s LYS 81 Cb -0.14 0.10 0.00 0.00 -1.46 0.00 0.00 37.83 36.33 3ktn s LYS 81 CO 0.08 -0.07 0.00 0.41 0.16 0.00 0.00 175.35 175.93 3ktn n GLY 82 N 0.47 0.47 0.00 5.54 0.00 -1.26 -2.70 105.19 107.70 3ktn n GLY 82 Ca -0.02 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.08 3ktn n GLY 82 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ktn n ASP 83 N -2.46 0.00 -4.79 1.61 8.00 -1.26 -4.25 116.55 113.40 3ktn n ASP 83 Ca 0.00 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.23 3ktn n ASP 83 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 3ktn n ASP 83 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3ktn s HIS 84 N -0.14 3.15 -0.04 1.24 2.46 -1.26 -4.82 115.29 115.89 3ktn s HIS 84 Ca 0.00 0.01 0.04 0.00 0.47 0.00 0.00 55.06 55.58 3ktn s HIS 84 Cb 0.00 -1.54 -0.00 0.00 -0.13 0.00 0.00 32.58 30.90 3ktn s HIS 84 CO 0.00 0.52 -0.16 0.42 -2.47 0.00 0.00 174.74 173.05 3ktn s ILE 85 N -1.64 1.33 0.77 0.89 1.01 -1.26 -1.22 121.20 121.08 3ktn s ILE 85 Ca 0.30 -0.67 -0.13 0.00 0.00 0.00 0.00 60.65 60.16 3ktn s ILE 85 Cb -0.11 -1.14 0.06 0.00 0.01 0.00 0.00 42.46 41.28 3ktn s ILE 85 CO 0.23 0.39 1.14 -0.83 0.00 0.00 0.00 174.94 175.86 3ktn s GLY 86 N -0.02 1.95 0.24 6.18 0.00 -1.26 -4.83 107.32 109.58 3ktn s GLY 86 Ca -0.02 0.55 -0.20 0.00 0.00 0.00 0.00 44.72 45.06 3ktn s GLY 86 CO 0.01 0.93 0.64 -1.35 0.00 0.00 0.00 173.10 173.33 3ktn s SER 87 N -2.71 -0.29 0.06 1.64 1.04 -1.26 -0.87 113.70 111.30 3ktn s SER 87 Ca 0.67 -0.52 -0.22 0.00 0.48 0.00 0.00 55.95 56.36 3ktn s SER 87 Cb -0.22 0.66 0.05 0.00 0.10 0.00 0.00 66.02 66.61 3ktn s SER 87 CO 0.50 -1.21 0.51 0.72 0.98 0.00 0.00 173.24 174.74 3ktn s PHE 88 N -3.89 -0.40 -0.05 5.02 -0.12 -0.26 -0.91 117.98 117.36 3ktn s PHE 88 Ca 0.10 0.41 -0.02 0.00 -0.05 0.00 0.00 56.93 57.37 3ktn s PHE 88 Cb -0.04 0.34 -0.04 0.00 -0.63 0.00 0.00 43.02 42.66 3ktn s PHE 88 CO 0.02 -0.65 0.06 -0.06 -0.05 0.00 0.00 175.22 174.54 3ktn s PHE 89 N -2.61 3.28 -0.21 3.49 0.08 0.20 -1.00 117.98 121.22 3ktn s PHE 89 Ca -0.04 0.25 -0.01 0.00 0.12 0.00 0.00 56.93 57.24 3ktn s PHE 89 Cb -0.00 -1.78 0.06 0.00 -0.57 0.00 0.00 43.02 40.72 3ktn s PHE 89 CO -0.03 0.55 -0.01 0.00 -0.10 0.00 0.00 175.22 175.63 3ktn s ALA 90 N -1.06 1.41 0.05 5.36 0.00 0.30 -0.98 121.76 126.84 3ktn s ALA 90 Ca 0.18 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.18 3ktn s ALA 90 Cb -0.12 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.73 3ktn s ALA 90 CO 0.08 -1.14 0.00 0.39 0.00 0.00 0.00 175.76 175.09 3ktn n GLU 91 N 4.89 3.55 -3.90 0.00 1.02 -0.21 -4.07 120.64 121.92 3ktn n GLU 91 Ca -0.10 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.88 3ktn n GLU 91 Cb 0.46 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.83 3ktn n GLU 91 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ktn n GLY 93 N 5.00 2.68 3.57 0.62 0.00 -1.26 -1.22 105.19 114.59 3ktn n GLY 93 Ca 0.00 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 3ktn n GLY 93 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ktn s TYR 94 N -3.17 -0.81 0.00 1.61 5.04 -0.38 -4.87 117.35 114.78 3ktn s TYR 94 Ca 0.32 1.84 0.00 0.00 -2.44 0.00 0.00 57.07 56.79 3ktn s TYR 94 Cb 0.01 0.35 0.00 0.00 0.35 0.00 0.00 41.96 42.66 3ktn s TYR 94 CO 0.23 -0.39 0.00 0.41 -1.34 0.00 0.00 175.55 174.45 3ktn n GLY 95 N 3.20 3.31 0.00 8.97 0.00 -1.26 -0.69 105.19 118.71 3ktn n GLY 95 Ca -0.16 -0.05 0.15 0.00 0.00 0.00 0.00 46.02 45.96 3ktn n GLY 95 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3ktn n ILE 96 N 0.00 0.00 -2.71 -0.61 -5.35 -1.26 -4.67 119.36 104.76 3ktn n ILE 96 Ca 0.00 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.05 3ktn n ILE 96 Cb 0.00 -0.50 -0.03 0.00 -1.74 0.00 0.00 39.64 37.37 3ktn n ILE 96 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3ktn s ARG 97 N -2.55 3.82 0.71 6.28 3.52 0.13 -5.01 118.95 125.85 3ktn s ARG 97 Ca 0.29 0.63 -0.14 0.00 -0.13 0.00 0.00 55.73 56.38 3ktn s ARG 97 Cb 0.20 -3.83 0.03 0.00 -1.56 0.00 0.00 34.95 29.79 3ktn s ARG 97 CO 0.46 -1.10 1.13 -1.25 -0.81 0.00 0.00 175.30 173.73 3ktn s PRO 98 N 3.83 2.43 0.25 5.12 0.04 -1.26 -1.25 135.00 144.16 3ktn s PRO 98 Ca 0.42 1.46 -0.30 0.00 0.04 0.00 0.00 61.00 62.63 3ktn s PRO 98 Cb -0.10 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 3ktn s PRO 98 CO 0.23 -1.55 1.07 0.99 0.04 0.00 0.00 177.00 177.78 3ktn s THR 99 N -2.35 3.66 -0.21 1.26 2.01 -1.26 -4.13 115.64 114.61 3ktn s THR 99 Ca 0.68 1.62 -0.02 0.00 0.31 0.00 0.00 61.69 64.28 3ktn s THR 99 Cb -0.22 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 68.26 3ktn s THR 99 CO 0.46 0.37 -0.09 -1.10 -0.69 0.00 0.00 174.62 173.57 3ktn s GLN 100 N -1.20 3.22 -0.18 4.92 -1.52 -0.35 -4.88 119.66 119.67 3ktn s GLN 100 Ca 0.45 -0.71 -0.05 0.00 -1.95 0.00 0.00 55.36 53.09 3ktn s GLN 100 Cb -0.30 -2.89 -0.03 0.00 -0.22 0.00 0.00 33.01 29.56 3ktn s GLN 100 CO 0.38 -0.22 0.00 0.08 -0.25 0.00 0.00 175.29 175.28 3ktn s VAL 101 N 1.41 4.15 -0.21 1.09 1.01 -1.26 -1.04 120.40 125.55 3ktn s VAL 101 Ca 0.05 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3ktn s VAL 101 Cb -0.14 -2.85 0.05 0.00 0.00 0.00 0.00 36.38 33.43 3ktn s VAL 101 CO -0.06 0.46 -0.09 -0.89 0.00 0.00 0.00 175.10 174.52 3ktn s THR 102 N 0.60 1.66 0.39 3.92 2.01 -0.15 -4.96 115.64 119.12 3ktn s THR 102 Ca -0.00 -1.10 -0.19 0.00 0.31 0.00 0.00 61.69 60.70 3ktn s THR 102 Cb -0.14 -1.78 -0.10 0.00 0.01 0.00 0.00 72.50 70.49 3ktn s THR 102 CO 0.02 0.10 0.88 -0.31 -0.69 0.00 0.00 174.62 174.62 3ktn s TYR 103 N 1.37 3.34 0.18 4.92 2.02 -1.26 -0.63 117.35 127.29 3ktn s TYR 103 Ca -0.03 1.49 0.01 0.00 -0.37 0.00 0.00 57.07 58.17 3ktn s TYR 103 Cb -0.17 -2.75 0.01 0.00 -0.40 0.00 0.00 41.96 38.65 3ktn s TYR 103 CO -0.08 -0.03 0.11 1.04 -1.57 0.00 0.00 175.55 175.03 3ktn n GLN 104 N -0.51 1.28 -1.67 -0.62 1.13 -0.08 -4.96 117.38 111.95 3ktn n GLN 104 Ca 0.06 -1.16 -0.46 0.00 -1.94 0.00 0.00 57.00 53.49 3ktn n GLN 104 Cb 0.54 0.16 -0.04 0.00 0.11 0.00 0.00 30.24 31.00 3ktn n GLN 104 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3ktn n ASN 105 N -1.81 3.18 -0.02 1.08 2.85 -1.26 -4.61 115.26 114.66 3ktn n ASN 105 Ca -0.02 1.06 -0.02 0.00 -0.11 0.00 0.00 54.58 55.49 3ktn n ASN 105 Cb 0.21 -1.42 -0.02 0.00 1.24 0.00 0.00 39.78 39.79 3ktn n ASN 105 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 3ktn n ARG 106 N 4.02 1.65 0.25 1.20 0.63 -1.26 -4.00 116.66 119.15 3ktn n ARG 106 Ca 0.18 0.01 0.14 0.00 -0.92 0.00 0.00 57.85 57.27 3ktn n ARG 106 Cb 0.29 -1.09 0.52 0.00 0.45 0.00 0.00 32.46 32.63 3ktn n ARG 106 CO 0.00 0.00 0.00 1.12 -2.51 0.00 0.00 177.63 176.24 3ktn h HIS 107 N 0.00 0.00 -0.32 -0.14 2.07 -1.89 -3.03 115.15 111.83 3ktn h HIS 107 Ca -0.09 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.43 3ktn h HIS 107 Cb 1.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.15 3ktn h HIS 107 CO 0.00 0.06 0.00 1.04 -3.07 0.00 0.00 177.93 175.96 3ktn n GLN 108 N -3.16 2.58 -1.69 5.12 1.13 -1.26 -4.29 117.38 115.81 3ktn n GLN 108 Ca 0.01 -1.50 -0.29 0.00 -1.94 0.00 0.00 57.00 53.28 3ktn n GLN 108 Cb 0.39 -1.68 0.09 0.00 0.11 0.00 0.00 30.24 29.15 3ktn n GLN 108 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3ktn s SER 109 N -0.60 4.45 0.30 1.08 1.04 -1.15 -4.46 113.70 114.36 3ktn s SER 109 Ca 0.26 1.08 0.01 0.00 0.48 0.00 0.00 55.95 57.79 3ktn s SER 109 Cb 0.18 -1.74 0.55 0.00 0.10 0.00 0.00 66.02 65.10 3ktn s SER 109 CO 0.11 -1.97 1.88 0.00 0.98 0.00 0.00 173.24 174.25 3ktn h ALA 110 N -1.09 1.53 -0.15 5.32 0.00 -1.40 -1.57 119.26 121.90 3ktn h ALA 110 Ca -0.47 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.21 3ktn h ALA 110 Cb 1.29 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.85 3ktn h ALA 110 CO 0.62 0.29 -0.75 0.35 0.00 0.00 0.00 179.25 179.76 3ktn h PHE 111 N 1.01 1.05 0.00 0.00 3.57 -1.85 -3.18 116.94 117.54 3ktn h PHE 111 Ca 0.43 -0.46 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 3ktn h PHE 111 Cb 0.32 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 3ktn h PHE 111 CO -0.00 1.29 -0.13 0.78 -2.23 0.00 0.00 178.31 178.02 3ktn h GLY 112 N 0.51 0.00 -2.20 2.40 0.00 -1.57 -2.83 103.07 99.37 3ktn h GLY 112 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3ktn h GLY 112 CO 0.16 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.99 3ktn n ILE 113 N -3.74 0.38 -3.54 2.60 -5.35 -0.67 -4.47 119.36 104.57 3ktn n ILE 113 Ca -0.02 -0.69 -0.33 0.00 -0.27 0.00 0.00 62.75 61.44 3ktn n ILE 113 Cb 0.24 1.12 -0.05 0.00 -1.74 0.00 0.00 39.64 39.21 3ktn n ILE 113 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3ktn s SER 114 N -1.60 6.63 0.37 7.28 1.04 -1.07 -5.05 113.70 121.30 3ktn s SER 114 Ca 0.36 0.81 0.07 0.00 0.48 0.00 0.00 55.95 57.67 3ktn s SER 114 Cb 0.22 -2.18 -0.07 0.00 0.10 0.00 0.00 66.02 64.09 3ktn s SER 114 CO 0.31 0.09 -0.03 -1.83 0.98 0.00 0.00 173.24 172.76 3ktn s GLU 115 N -2.26 1.84 0.38 4.02 -1.05 -1.26 -3.92 118.70 116.45 3ktn s GLU 115 Ca 0.38 -2.00 0.18 0.00 -0.15 0.00 0.00 54.97 53.38 3ktn s GLU 115 Cb -0.13 -1.54 1.12 0.00 -0.44 0.00 0.00 34.13 33.14 3ktn s GLU 115 CO 0.20 0.01 1.71 0.00 0.95 0.00 0.00 175.26 178.13 3ktn h ALA 116 N 1.94 2.18 0.00 -0.84 0.00 -1.88 0.37 119.26 121.03 3ktn h ALA 116 Ca -0.43 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3ktn h ALA 116 Cb 1.24 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3ktn h ALA 116 CO 0.75 -0.69 0.00 0.36 0.00 0.00 0.00 179.25 179.67 3ktn n LYS 117 N -4.78 0.17 0.00 0.00 2.85 -1.26 -1.63 118.16 113.50 3ktn n LYS 117 Ca 0.29 0.45 0.13 0.00 -1.05 0.00 0.00 58.31 58.13 3ktn n LYS 117 Cb 0.98 -1.86 0.47 0.00 -0.65 0.00 0.00 35.03 33.98 3ktn n LYS 117 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3ktn n ASP 118 N -2.18 0.28 -4.40 -5.58 8.00 0.13 -4.83 116.55 107.96 3ktn n ASP 118 Ca 0.02 0.03 -0.32 0.00 0.71 0.00 0.00 54.79 55.22 3ktn n ASP 118 Cb 0.19 -0.13 -0.14 0.00 -0.02 0.00 0.00 41.12 41.01 3ktn n ASP 118 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3ktn s TYR 119 N -2.91 2.66 -1.21 1.24 2.02 -0.65 -5.02 117.35 113.48 3ktn s TYR 119 Ca 0.15 -0.41 -0.07 0.00 -0.37 0.00 0.00 57.07 56.38 3ktn s TYR 119 Cb 0.19 -1.67 0.22 0.00 -0.40 0.00 0.00 41.96 40.29 3ktn s TYR 119 CO 0.59 -0.01 1.79 -3.47 -1.57 0.00 0.00 175.55 172.88 3ktn n ASP 120 N 2.76 5.88 -0.28 2.29 -0.08 -1.26 -4.80 116.55 121.06 3ktn n ASP 120 Ca -0.17 -3.24 0.11 0.00 -1.51 0.00 0.00 54.79 49.97 3ktn n ASP 120 Cb 0.52 -1.39 0.35 0.00 2.34 0.00 0.00 41.12 42.95 3ktn n ASP 120 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 3ktn h PHE 121 N 5.47 0.87 -0.02 -0.67 0.04 -1.96 -2.07 116.94 118.59 3ktn h PHE 121 Ca 0.36 0.02 0.03 0.00 2.80 0.00 0.00 57.97 61.19 3ktn h PHE 121 Cb 0.58 -0.28 -0.04 0.00 2.20 0.00 0.00 35.95 38.42 3ktn h PHE 121 CO 1.21 0.33 -0.18 0.93 -0.60 0.00 0.00 178.31 180.00 3ktn h GLU 122 N 0.75 -0.28 -0.63 1.51 4.39 -2.00 0.42 114.58 118.75 3ktn h GLU 122 Ca 0.45 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 60.13 3ktn h GLU 122 Cb 0.65 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.34 3ktn h GLU 122 CO -0.21 -0.18 0.23 0.00 -1.16 0.00 0.00 179.01 177.69 3ktn h ALA 123 N 0.65 1.23 0.12 3.43 0.00 -1.81 -2.81 119.26 120.07 3ktn h ALA 123 Ca 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3ktn h ALA 123 Cb 0.37 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ktn h ALA 123 CO -0.19 0.55 -0.06 0.74 0.00 0.00 0.00 179.25 180.30 3ktn h PHE 124 N 0.90 -0.15 -0.76 0.00 0.04 -1.00 -3.16 116.94 112.82 3ktn h PHE 124 Ca 0.21 -0.00 0.19 0.00 2.80 0.00 0.00 57.97 61.16 3ktn h PHE 124 Cb 0.20 0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.36 3ktn h PHE 124 CO 0.01 0.28 0.52 -0.07 -0.60 0.00 0.00 178.31 178.46 3ktn h LEU 125 N -0.63 0.22 -1.33 1.54 3.38 -0.91 0.11 115.31 117.68 3ktn h LEU 125 Ca -0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ktn h LEU 125 Cb 0.49 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3ktn h LEU 125 CO 0.03 0.10 0.00 0.00 0.09 0.00 0.00 178.44 178.66 3ktn h ALA 126 N 1.64 1.00 -0.15 1.53 0.00 -1.45 -2.86 119.26 118.96 3ktn h ALA 126 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3ktn h ALA 126 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3ktn h ALA 126 CO -0.08 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.56 3ktn n GLU 127 N -2.46 2.14 -4.27 0.00 1.02 0.37 -5.02 120.64 112.42 3ktn n GLU 127 Ca 0.00 -1.58 -0.19 0.00 -0.02 0.00 0.00 57.16 55.37 3ktn n GLU 127 Cb 0.15 -1.15 -0.11 0.00 -0.02 0.00 0.00 31.44 30.31 3ktn n GLU 127 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3ktn s VAL 128 N -0.88 1.46 -1.68 2.62 -7.23 -1.08 -4.94 120.40 108.66 3ktn s VAL 128 Ca 0.12 -1.82 0.19 0.00 -1.81 0.00 0.00 61.98 58.67 3ktn s VAL 128 Cb 0.07 -1.66 0.55 0.00 0.56 0.00 0.00 36.38 35.90 3ktn s VAL 128 CO 0.09 -0.42 1.46 0.47 -0.31 0.00 0.00 175.10 176.39 3ktn n ASP 129 N 0.38 3.67 -3.60 4.85 8.00 -0.47 -4.91 116.55 124.47 3ktn n ASP 129 Ca -0.14 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.36 3ktn n ASP 129 Cb 0.57 -0.42 -0.06 0.00 -0.02 0.00 0.00 41.12 41.20 3ktn n ASP 129 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3ktn s VAL 131 N -1.00 -0.04 -0.23 2.53 0.11 -0.09 -1.95 120.40 119.73 3ktn s VAL 131 Ca 0.42 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.39 3ktn s VAL 131 Cb 0.22 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 34.03 3ktn s VAL 131 CO 0.29 0.00 0.10 -2.28 -3.33 0.00 0.00 175.10 169.87 3ktn s HIS 132 N 1.34 3.18 -0.36 1.54 2.46 0.48 -1.11 115.29 122.82 3ktn s HIS 132 Ca -0.08 -0.10 -0.13 0.00 0.47 0.00 0.00 55.06 55.22 3ktn s HIS 132 Cb -0.03 -2.22 0.00 0.00 -0.13 0.00 0.00 32.58 30.20 3ktn s HIS 132 CO -0.13 -0.12 0.23 0.42 -2.47 0.00 0.00 174.74 172.67 3ktn s ILE 133 N 1.21 5.03 0.03 0.89 1.01 0.46 -0.48 121.20 129.35 3ktn s ILE 133 Ca 0.05 -0.48 -0.30 0.00 0.00 0.00 0.00 60.65 59.92 3ktn s ILE 133 Cb -0.14 -3.68 -0.07 0.00 0.01 0.00 0.00 42.46 38.58 3ktn s ILE 133 CO 0.04 -0.12 1.51 0.00 0.00 0.00 0.00 174.94 176.37 3ktn h GLY 135 N 8.44 0.00 1.58 0.00 0.00 -1.85 0.19 103.07 111.43 3ktn h GLY 135 Ca -0.40 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.94 3ktn h GLY 135 CO 0.91 0.00 0.28 1.19 0.00 0.00 0.00 176.54 178.92 3ktn h ILE 136 N 0.00 1.10 -0.92 2.60 6.09 -1.90 -2.11 117.51 122.36 3ktn h ILE 136 Ca 0.49 -0.19 0.15 0.00 -1.37 0.00 0.00 64.86 63.94 3ktn h ILE 136 Cb 2.14 0.50 -0.08 0.00 0.47 0.00 0.00 36.82 39.85 3ktn h ILE 136 CO -0.01 0.10 0.59 0.28 -3.07 0.00 0.00 178.15 176.05 3ktn h SER 137 N 0.55 0.69 0.96 2.19 0.02 -0.95 0.45 113.55 117.47 3ktn h SER 137 Ca 0.16 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 3ktn h SER 137 Cb -0.04 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 3ktn h SER 137 CO -0.03 0.34 -0.15 -0.07 -1.14 0.00 0.00 176.83 175.77 3ktn h LEU 138 N 0.73 0.00 0.00 5.07 3.38 -1.53 -1.88 115.31 121.08 3ktn h LEU 138 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 3ktn h LEU 138 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3ktn h LEU 138 CO -0.23 0.15 -1.25 -1.54 0.09 0.00 0.00 178.44 175.66 3ktn n SER 139 N -3.31 2.93 0.10 -0.43 3.41 -0.62 -4.70 113.62 111.01 3ktn n SER 139 Ca 0.00 -0.07 -0.05 0.00 -0.26 0.00 0.00 58.87 58.49 3ktn n SER 139 Cb 0.39 1.32 -0.03 0.00 -0.26 0.00 0.00 64.21 65.63 3ktn n SER 139 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3ktn h LEU 140 N 0.00 -0.36 -8.25 1.04 5.85 -1.07 -3.47 115.31 109.06 3ktn h LEU 140 Ca 0.00 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.60 3ktn h LEU 140 Cb 0.33 0.11 -0.14 0.00 0.37 0.00 0.00 40.66 41.34 3ktn h LEU 140 CO 0.00 -0.20 -0.49 0.42 -0.34 0.00 0.00 178.44 177.84 3ktn s THR 141 N -3.78 0.09 0.35 1.05 -4.23 -1.26 -4.88 115.64 102.98 3ktn s THR 141 Ca -0.05 -1.65 0.03 0.00 -1.18 0.00 0.00 61.69 58.84 3ktn s THR 141 Cb 0.01 -1.92 0.24 0.00 1.34 0.00 0.00 72.50 72.17 3ktn s THR 141 CO 0.16 -0.40 1.99 -0.08 -0.54 0.00 0.00 174.62 175.75 3ktn h GLU 142 N 2.72 0.76 -0.46 3.99 4.81 -1.90 -0.11 114.58 124.40 3ktn h GLU 142 Ca -0.33 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 58.75 3ktn h GLU 142 Cb 1.21 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 3ktn h GLU 142 CO 0.54 0.55 -0.03 0.87 -0.73 0.00 0.00 179.01 180.21 3ktn h LYS 143 N 0.78 0.83 -0.04 1.92 1.57 -1.85 0.78 116.57 120.55 3ktn h LYS 143 Ca 0.20 -0.28 -0.14 0.00 -1.87 0.00 0.00 60.65 58.56 3ktn h LYS 143 Cb -0.01 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3ktn h LYS 143 CO -0.04 0.90 -0.62 1.79 -0.57 0.00 0.00 179.45 180.91 3ktn h THR 144 N 0.68 1.41 -0.08 -0.16 1.35 -1.58 -2.15 112.91 112.38 3ktn h THR 144 Ca 0.13 -2.06 -0.02 0.00 -0.55 0.00 0.00 66.41 63.91 3ktn h THR 144 Cb 0.54 2.07 -0.00 0.00 -1.73 0.00 0.00 68.15 69.03 3ktn h THR 144 CO 0.03 0.60 -0.01 -0.09 -0.25 0.00 0.00 175.52 175.80 3ktn h ARG 145 N 0.11 0.15 -0.51 4.72 2.43 -0.15 -0.65 114.38 120.48 3ktn h ARG 145 Ca -0.01 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 3ktn h ARG 145 Cb 1.12 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 3ktn h ARG 145 CO 0.09 0.45 0.25 -0.44 -1.51 0.00 0.00 179.97 178.81 3ktn h ASP 146 N -0.16 0.63 -0.35 -3.80 3.32 -0.81 -1.24 116.42 114.01 3ktn h ASP 146 Ca 0.02 -0.05 -0.14 0.00 0.02 0.00 0.00 57.03 56.88 3ktn h ASP 146 Cb 0.39 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3ktn h ASP 146 CO 0.01 0.53 -0.31 0.00 -1.72 0.00 0.00 179.24 177.74 3ktn h ALA 147 N 1.57 0.50 -0.28 3.45 0.00 -1.26 -2.20 119.26 121.05 3ktn h ALA 147 Ca 0.18 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3ktn h ALA 147 Cb 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3ktn h ALA 147 CO -0.03 0.55 0.12 0.00 0.00 0.00 0.00 179.25 179.90 3ktn h ALA 148 N 0.75 0.36 -0.37 0.00 0.00 -0.55 -1.05 119.26 118.40 3ktn h ALA 148 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ktn h ALA 148 Cb 0.89 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3ktn h ALA 148 CO 0.08 -0.06 0.23 -0.07 0.00 0.00 0.00 179.25 179.43 3ktn h LEU 149 N 0.31 0.43 -0.82 0.00 3.38 -1.24 -1.01 115.31 116.35 3ktn h LEU 149 Ca 0.09 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3ktn h LEU 149 Cb 0.15 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3ktn h LEU 149 CO -0.01 0.33 0.48 0.40 0.09 0.00 0.00 178.44 179.72 3ktn h ILE 150 N 0.49 1.23 -0.66 1.22 2.04 -1.27 -1.47 117.51 119.09 3ktn h ILE 150 Ca 0.13 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 3ktn h ILE 150 Cb -0.04 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.12 3ktn h ILE 150 CO -0.03 0.25 0.24 0.25 0.00 0.00 0.00 178.15 178.86 3ktn h LEU 151 N 1.13 0.94 -0.10 1.44 5.85 -0.76 -0.53 115.31 123.27 3ktn h LEU 151 Ca 0.29 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3ktn h LEU 151 Cb -0.02 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.76 3ktn h LEU 151 CO -0.05 0.87 0.04 0.00 -0.34 0.00 0.00 178.44 178.97 3ktn h ALA 152 N 1.10 0.14 -0.31 1.25 0.00 -0.82 0.28 119.26 120.89 3ktn h ALA 152 Ca 0.22 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3ktn h ALA 152 Cb 0.25 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3ktn h ALA 152 CO -0.01 -0.28 0.09 1.96 0.00 0.00 0.00 179.25 181.00 3ktn h GLN 153 N 0.02 0.21 0.00 0.00 4.20 -1.12 -0.29 115.11 118.12 3ktn h GLN 153 Ca 0.04 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 3ktn h GLN 153 Cb 0.16 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3ktn h GLN 153 CO -0.00 0.14 -0.00 -0.22 -0.67 0.00 0.00 178.83 178.07 3ktn h LYS 154 N 0.21 -0.00 -0.96 1.46 3.64 -0.90 -1.53 116.57 118.49 3ktn h LYS 154 Ca 0.14 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.66 3ktn h LYS 154 Cb 0.13 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.86 3ktn h LYS 154 CO -0.17 0.07 0.58 0.00 -2.27 0.00 0.00 179.45 177.66 3ktn h ALA 155 N 0.93 1.47 -0.28 5.00 0.00 -0.09 -0.16 119.26 126.13 3ktn h ALA 155 Ca -0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3ktn h ALA 155 Cb 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3ktn h ALA 155 CO 0.00 0.09 0.14 1.25 0.00 0.00 0.00 179.25 180.73 3ktn h HIS 156 N 0.85 0.41 -0.40 0.00 -0.00 -0.65 0.32 115.15 115.68 3ktn h HIS 156 Ca 0.50 -0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.90 3ktn h HIS 156 Cb 0.61 -0.13 -0.04 0.00 -0.00 0.00 0.00 27.41 27.85 3ktn h HIS 156 CO -0.03 0.37 0.15 0.00 -0.00 0.00 0.00 177.93 178.42 3ktn h ALA 157 N 1.00 0.47 0.00 5.26 0.00 -0.07 0.16 119.26 126.08 3ktn h ALA 157 Ca 0.10 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3ktn h ALA 157 Cb 0.11 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3ktn h ALA 157 CO -0.01 -0.24 0.00 0.66 0.00 0.00 0.00 179.25 179.66 3ktn n TYR 158 N -5.00 0.00 -3.02 0.00 4.02 -0.36 -4.85 117.16 107.94 3ktn n TYR 158 Ca 0.02 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.70 3ktn n TYR 158 Cb 0.14 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.50 3ktn n TYR 158 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3ktn n GLN 159 N -0.94 -4.88 -3.44 -0.72 6.02 0.55 -4.98 117.38 108.98 3ktn n GLN 159 Ca 0.14 0.84 -0.37 0.00 -0.01 0.00 0.00 57.00 57.61 3ktn n GLN 159 Cb 0.07 -5.58 -0.06 0.00 1.02 0.00 0.00 30.24 25.68 3ktn n GLN 159 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3ktn s LYS 160 N -5.68 3.95 0.29 -1.09 -0.14 0.11 -5.01 119.74 112.17 3ktn s LYS 160 Ca 0.31 0.45 -0.29 0.00 -1.36 0.00 0.00 55.97 55.07 3ktn s LYS 160 Cb -0.14 -3.12 -0.10 0.00 -1.68 0.00 0.00 37.83 32.79 3ktn s LYS 160 CO 0.38 0.61 1.42 0.21 -0.76 0.00 0.00 175.35 177.21 3ktn s LYS 161 N -1.44 4.26 -0.12 1.68 2.47 -0.82 -4.42 119.74 121.36 3ktn s LYS 161 Ca 0.30 2.33 0.03 0.00 -1.56 0.00 0.00 55.97 57.06 3ktn s LYS 161 Cb -0.16 -3.08 0.00 0.00 -1.46 0.00 0.00 37.83 33.13 3ktn s LYS 161 CO 0.17 -0.38 -0.22 0.08 0.16 0.00 0.00 175.35 175.15 3ktn s VAL 162 N -0.48 2.14 0.08 4.02 1.01 -1.26 -0.91 120.40 125.01 3ktn s VAL 162 Ca 0.56 -0.98 0.08 0.00 0.00 0.00 0.00 61.98 61.64 3ktn s VAL 162 Cb -0.42 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 3ktn s VAL 162 CO 0.49 0.55 -0.19 0.00 0.00 0.00 0.00 175.10 175.96 3ktn s PHE 164 N -1.03 -0.33 -0.07 0.00 5.36 -0.37 -0.40 117.98 121.13 3ktn s PHE 164 Ca 0.16 0.78 0.05 0.00 -0.96 0.00 0.00 56.93 56.96 3ktn s PHE 164 Cb -0.10 0.12 -0.01 0.00 -0.34 0.00 0.00 43.02 42.69 3ktn s PHE 164 CO 0.08 -0.22 -0.25 0.16 -1.46 0.00 0.00 175.22 173.52 3ktn s ASP 165 N -0.14 3.06 0.08 6.13 1.47 -1.24 -0.69 116.67 125.34 3ktn s ASP 165 Ca -0.03 -0.53 -0.31 0.00 1.18 0.00 0.00 52.55 52.87 3ktn s ASP 165 Cb -0.03 -1.04 -0.07 0.00 -0.34 0.00 0.00 42.92 41.44 3ktn s ASP 165 CO 0.01 0.21 1.29 -0.36 0.68 0.00 0.00 175.17 177.01 3ktn s PHE 166 N 0.02 3.32 -0.38 2.11 0.08 0.03 -2.58 117.98 120.57 3ktn s PHE 166 Ca -0.09 1.12 0.08 0.00 0.12 0.00 0.00 56.93 58.16 3ktn s PHE 166 Cb -0.15 -3.55 0.44 0.00 -0.57 0.00 0.00 43.02 39.19 3ktn s PHE 166 CO 0.06 -1.82 1.12 -1.71 -0.10 0.00 0.00 175.22 172.76 3ktn n ASN 167 N 4.03 4.31 -4.60 1.36 4.05 -1.26 -4.88 115.26 118.26 3ktn n ASN 167 Ca 0.10 -3.55 -0.40 0.00 0.45 0.00 0.00 54.58 51.18 3ktn n ASN 167 Cb 0.44 -0.44 -0.08 0.00 1.23 0.00 0.00 39.78 40.94 3ktn n ASN 167 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 3ktn s TYR 168 N -3.53 3.24 -0.34 1.20 5.04 -1.26 -4.89 117.35 116.81 3ktn s TYR 168 Ca 0.46 0.46 0.01 0.00 -2.44 0.00 0.00 57.07 55.56 3ktn s TYR 168 Cb 0.41 -2.75 0.09 0.00 0.35 0.00 0.00 41.96 40.06 3ktn s TYR 168 CO -0.10 -0.34 0.07 1.03 -1.34 0.00 0.00 175.55 174.87 3ktn s ARG 169 N 2.29 1.88 0.19 4.97 0.52 -1.26 -5.01 118.95 122.53 3ktn s ARG 169 Ca 0.19 -1.70 -0.23 0.00 -0.52 0.00 0.00 55.73 53.47 3ktn s ARG 169 Cb -0.16 -3.28 0.10 0.00 0.52 0.00 0.00 34.95 32.14 3ktn s ARG 169 CO 0.10 -0.88 1.56 -1.35 0.02 0.00 0.00 175.30 174.75 3ktn h PRO 170 N 7.82 -0.08 -0.62 3.54 0.11 -1.96 -0.87 132.00 139.94 3ktn h PRO 170 Ca -0.11 0.01 0.18 0.00 0.11 0.00 0.00 66.00 66.18 3ktn h PRO 170 Cb 1.04 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3ktn h PRO 170 CO 0.57 -0.05 0.47 0.66 -0.21 0.00 0.00 178.00 179.43 3ktn h SER 171 N -0.08 0.00 -0.59 -2.05 4.64 -2.01 -1.33 113.55 112.12 3ktn h SER 171 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3ktn h SER 171 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3ktn h SER 171 CO -0.86 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.28 3ktn n LEU 172 N -4.25 5.46 -4.11 5.97 4.32 -0.34 -4.95 117.00 119.10 3ktn n LEU 172 Ca 0.12 -2.80 -0.17 0.00 -0.02 0.00 0.00 56.01 53.14 3ktn n LEU 172 Cb 0.71 -0.66 -0.12 0.00 -1.62 0.00 0.00 43.42 41.73 3ktn n LEU 172 CO 0.36 0.69 -0.44 0.20 -1.22 0.00 0.00 177.39 176.98 3ktn s ASN 173 N -0.85 1.32 0.73 -1.43 -0.87 -0.50 -5.01 114.94 108.34 3ktn s ASN 173 Ca 0.54 -0.51 -0.01 0.00 -1.57 0.00 0.00 52.86 51.31 3ktn s ASN 173 Cb 0.39 -0.04 0.13 0.00 -0.02 0.00 0.00 41.25 41.72 3ktn s ASN 173 CO 0.18 -0.08 1.01 0.42 -2.57 0.00 0.00 177.10 176.07 3ktn s THR 174 N -1.10 2.10 0.11 1.60 -4.23 -1.26 -4.93 115.64 107.92 3ktn s THR 174 Ca -0.03 -0.59 -0.20 0.00 -1.18 0.00 0.00 61.69 59.69 3ktn s THR 174 Cb -0.09 -2.51 -0.08 0.00 1.34 0.00 0.00 72.50 71.15 3ktn s THR 174 CO 0.01 0.00 1.71 0.00 -0.54 0.00 0.00 174.62 175.81 3ktn h ALA 175 N -0.57 0.23 -0.06 3.99 0.00 -2.01 -2.81 119.26 118.03 3ktn h ALA 175 Ca -0.36 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 3ktn h ALA 175 Cb 1.26 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3ktn h ALA 175 CO 0.39 -0.24 -0.01 -0.91 0.00 0.00 0.00 179.25 178.48 3ktn h ASN 176 N 0.20 0.12 -0.99 0.00 2.35 -2.00 -3.08 115.58 112.18 3ktn h ASN 176 Ca 0.06 -0.34 0.18 0.00 -0.55 0.00 0.00 56.30 55.66 3ktn h ASN 176 Cb 0.05 -0.03 -0.10 0.00 0.05 0.00 0.00 38.32 38.29 3ktn h ASN 176 CO -0.01 0.43 0.61 0.77 -1.65 0.00 0.00 177.43 177.58 3ktn h SER 177 N -0.20 0.76 -0.50 5.81 4.64 -1.94 0.13 113.55 122.25 3ktn h SER 177 Ca 0.02 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3ktn h SER 177 Cb 0.37 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 3ktn h SER 177 CO 0.00 0.29 0.32 0.00 -0.87 0.00 0.00 176.83 176.57 3ktn h ALA 178 N 1.63 0.63 -0.68 5.18 0.00 -1.44 -2.40 119.26 122.18 3ktn h ALA 178 Ca 0.56 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.38 3ktn h ALA 178 Cb 0.89 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3ktn h ALA 178 CO -0.34 0.09 0.25 -0.07 0.00 0.00 0.00 179.25 179.18 3ktn h LEU 179 N 0.67 0.96 -1.42 0.00 3.38 -0.75 -0.77 115.31 117.38 3ktn h LEU 179 Ca 0.18 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ktn h LEU 179 Cb -0.06 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.45 3ktn h LEU 179 CO -0.04 0.88 0.00 0.33 0.09 0.00 0.00 178.44 179.71 3ktn n PHE 180 N -4.37 0.00 0.00 1.13 7.35 -0.07 -2.40 117.46 119.11 3ktn n PHE 180 Ca 0.05 -0.01 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 3ktn n PHE 180 Cb 0.19 -0.05 0.00 0.00 0.35 0.00 0.00 39.48 39.97 3ktn n PHE 180 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 3ktn n ARG 182 N 0.69 0.00 -0.22 -4.13 3.00 -0.30 -2.61 116.66 113.10 3ktn n ARG 182 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.84 3ktn n ARG 182 Cb 0.01 0.00 0.10 0.00 0.00 0.00 0.00 32.46 32.57 3ktn n ARG 182 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 3ktn h GLN 183 N 0.00 0.59 -0.48 -0.14 4.20 -1.76 -0.32 115.11 117.19 3ktn h GLN 183 Ca 0.00 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.57 3ktn h GLN 183 Cb 0.00 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 3ktn h GLN 183 CO 0.00 0.39 -0.13 1.96 -0.67 0.00 0.00 178.83 180.38 3ktn h GLN 184 N 0.61 0.91 -0.49 1.46 1.08 -1.80 -2.40 115.11 114.47 3ktn h GLN 184 Ca 0.30 -0.33 -0.13 0.00 -1.45 0.00 0.00 58.65 57.03 3ktn h GLN 184 Cb 0.23 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 3ktn h GLN 184 CO -0.21 0.99 -0.19 1.88 -0.95 0.00 0.00 178.83 180.35 3ktn h TYR 185 N 0.81 1.14 0.00 2.96 -1.99 -1.75 -2.57 116.97 115.58 3ktn h TYR 185 Ca 0.13 -0.27 -0.01 0.00 2.00 0.00 0.00 58.73 60.57 3ktn h TYR 185 Cb 0.67 -0.27 -0.00 0.00 2.00 0.00 0.00 36.73 39.13 3ktn h TYR 185 CO 0.04 1.10 -0.07 0.93 -0.00 0.00 0.00 178.16 180.16 3ktn h GLU 186 N 0.86 0.00 -0.05 4.88 5.08 -0.88 0.30 114.58 124.77 3ktn h GLU 186 Ca 0.12 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.28 3ktn h GLU 186 Cb 0.77 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 3ktn h GLU 186 CO 0.06 0.07 -0.79 0.00 -1.00 0.00 0.00 179.01 177.35 3ktn h ARG 187 N 0.00 0.39 0.02 2.33 3.08 -1.03 -3.35 114.38 115.82 3ktn h ARG 187 Ca -0.00 -0.35 -0.31 0.00 0.07 0.00 0.00 59.98 59.39 3ktn h ARG 187 Cb 0.13 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.22 3ktn h ARG 187 CO 0.01 1.00 -1.85 1.51 -1.07 0.00 0.00 179.97 179.57 3ktn n ILE 188 N -3.80 1.61 -0.33 2.04 3.06 -0.85 -4.35 119.36 116.74 3ktn n ILE 188 Ca -0.05 -0.78 0.23 0.00 -2.50 0.00 0.00 62.75 59.65 3ktn n ILE 188 Cb 0.75 -1.07 0.51 0.00 0.54 0.00 0.00 39.64 40.36 3ktn n ILE 188 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 3ktn h LEU 189 N 0.01 0.45 -1.81 9.51 3.38 -1.08 0.25 115.31 126.02 3ktn h LEU 189 Ca -0.34 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3ktn h LEU 189 Cb 2.04 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.81 3ktn h LEU 189 CO 0.07 0.08 0.00 -0.65 0.09 0.00 0.00 178.44 178.03 3ktn h PRO 190 N 0.39 0.00 -0.01 1.13 0.11 -1.76 -2.33 132.00 129.54 3ktn h PRO 190 Ca 0.60 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.71 3ktn h PRO 190 Cb 1.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.63 3ktn h PRO 190 CO -0.31 0.00 -0.46 0.66 -0.21 0.00 0.00 178.00 177.69 3ktn n TYR 191 N -2.53 0.00 -3.19 0.65 4.01 0.08 -4.98 117.16 111.19 3ktn n TYR 191 Ca -0.01 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.40 3ktn n TYR 191 Cb 0.07 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.04 3ktn n TYR 191 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ktn n ASP 193 N -0.18 2.62 -4.12 0.00 8.00 0.19 -4.55 116.55 118.51 3ktn n ASP 193 Ca 0.02 -0.02 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 3ktn n ASP 193 Cb 0.53 -0.23 -0.16 0.00 -0.02 0.00 0.00 41.12 41.23 3ktn n ASP 193 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ktn s ILE 194 N -2.25 1.85 -0.04 0.53 1.01 -0.66 -0.04 121.20 121.61 3ktn s ILE 194 Ca -0.17 -0.85 0.05 0.00 0.00 0.00 0.00 60.65 59.69 3ktn s ILE 194 Cb 0.05 -1.66 -0.01 0.00 0.01 0.00 0.00 42.46 40.85 3ktn s ILE 194 CO 0.27 0.51 -0.20 -0.69 0.00 0.00 0.00 174.94 174.84 3ktn s VAL 195 N 0.98 1.61 -0.19 2.92 1.01 0.34 -1.24 120.40 125.82 3ktn s VAL 195 Ca -0.04 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 3ktn s VAL 195 Cb -0.15 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.85 3ktn s VAL 195 CO -0.04 0.46 -0.02 -0.36 0.00 0.00 0.00 175.10 175.14 3ktn s PHE 196 N -0.13 3.01 -0.11 5.22 0.08 0.13 -1.13 117.98 125.05 3ktn s PHE 196 Ca -0.01 -0.52 0.00 0.00 0.12 0.00 0.00 56.93 56.52 3ktn s PHE 196 Cb -0.11 -2.06 0.00 0.00 -0.57 0.00 0.00 43.02 40.28 3ktn s PHE 196 CO 0.02 -0.26 0.00 0.41 -0.10 0.00 0.00 175.22 175.29 3ktn n GLY 197 N 4.20 -1.13 3.61 4.36 0.00 -0.42 -0.79 105.19 115.01 3ktn n GLY 197 Ca -0.17 -1.00 -0.28 0.00 0.00 0.00 0.00 46.02 44.57 3ktn n GLY 197 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ktn s SER 198 N -0.38 3.84 0.16 1.61 1.04 -1.26 -3.96 113.70 114.75 3ktn s SER 198 Ca 0.00 -1.35 -0.15 0.00 0.48 0.00 0.00 55.95 54.93 3ktn s SER 198 Cb 0.00 -0.39 0.07 0.00 0.10 0.00 0.00 66.02 65.80 3ktn s SER 198 CO 0.00 -0.42 1.78 -0.09 0.98 0.00 0.00 173.24 175.49 3ktn h ARG 199 N 1.81 0.39 -0.13 4.02 2.43 -1.99 -1.47 114.38 119.43 3ktn h ARG 199 Ca -0.44 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 58.75 3ktn h ARG 199 Cb 1.24 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 3ktn h ARG 199 CO 0.79 0.26 0.14 0.00 -1.51 0.00 0.00 179.97 179.65 3ktn h ARG 200 N 0.40 0.00 -0.12 0.20 3.08 -1.99 -1.22 114.38 114.73 3ktn h ARG 200 Ca 0.18 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 3ktn h ARG 200 Cb 0.09 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 3ktn h ARG 200 CO -0.13 0.00 -0.05 -0.44 -1.07 0.00 0.00 179.97 178.28 3ktn h ASP 201 N 0.00 0.25 -0.42 7.04 3.32 -1.67 0.17 116.42 125.10 3ktn h ASP 201 Ca 0.06 -0.41 0.04 0.00 0.02 0.00 0.00 57.03 56.74 3ktn h ASP 201 Cb 0.33 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 3ktn h ASP 201 CO -0.00 0.60 0.19 -0.07 -1.72 0.00 0.00 179.24 178.24 3ktn h LEU 202 N -0.11 0.25 0.24 1.55 3.38 -1.16 0.23 115.31 119.68 3ktn h LEU 202 Ca 0.03 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3ktn h LEU 202 Cb 0.51 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3ktn h LEU 202 CO 0.02 0.18 -0.11 0.58 0.09 0.00 0.00 178.44 179.19 3ktn h VAL 203 N 0.38 0.41 -0.01 1.22 2.07 -1.41 -0.77 116.25 118.15 3ktn h VAL 203 Ca 0.19 -0.93 -0.14 0.00 0.82 0.00 0.00 66.70 66.64 3ktn h VAL 203 Cb 0.13 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3ktn h VAL 203 CO -0.15 0.11 -0.64 -0.33 0.02 0.00 0.00 177.57 176.58 3ktn h GLU 204 N -1.00 0.03 0.00 1.57 5.08 -0.71 -2.70 114.58 116.85 3ktn h GLU 204 Ca -0.03 -0.02 -0.41 0.00 -1.00 0.00 0.00 59.36 57.89 3ktn h GLU 204 Cb 0.43 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 3ktn h GLU 204 CO 0.05 0.66 -2.36 -0.11 -1.00 0.00 0.00 179.01 176.25 3ktn n LEU 205 N -3.79 1.83 -0.31 1.33 7.94 0.73 -4.51 117.00 120.22 3ktn n LEU 205 Ca -0.01 0.32 0.07 0.00 -1.11 0.00 0.00 56.01 55.27 3ktn n LEU 205 Cb 0.63 -0.76 0.30 0.00 0.53 0.00 0.00 43.42 44.12 3ktn n LEU 205 CO 0.43 0.49 0.71 0.18 -1.11 0.00 0.00 177.39 178.09 3ktn n LEU 206 N -4.18 0.91 -0.72 -1.96 4.77 -0.76 -4.66 117.00 110.40 3ktn n LEU 206 Ca -0.49 -0.41 -0.09 0.00 -0.03 0.00 0.00 56.01 54.99 3ktn n LEU 206 Cb 0.84 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.81 3ktn n LEU 206 CO 0.04 0.21 -0.08 0.61 -1.33 0.00 0.00 177.39 176.83 3ktn n GLY 207 N 0.89 0.84 3.70 -0.72 0.00 -0.96 -4.91 105.19 104.03 3ktn n GLY 207 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3ktn n GLY 207 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ktn n PHE 208 N -2.01 1.56 -4.92 1.61 3.72 -0.33 -4.94 117.46 112.14 3ktn n PHE 208 Ca -0.09 0.41 -0.31 0.00 -0.05 0.00 0.00 57.45 57.42 3ktn n PHE 208 Cb 0.53 -2.20 -0.17 0.00 -0.94 0.00 0.00 39.48 36.71 3ktn n PHE 208 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3ktn s ILE 209 N -1.65 1.91 0.33 4.37 -1.09 -1.26 -4.43 121.20 119.38 3ktn s ILE 209 Ca 0.79 -0.92 -0.23 0.00 -2.23 0.00 0.00 60.65 58.06 3ktn s ILE 209 Cb -0.35 -1.68 -0.10 0.00 -1.58 0.00 0.00 42.46 38.75 3ktn s ILE 209 CO 0.44 0.52 0.90 -2.16 -1.23 0.00 0.00 174.94 173.42 3ktn s PRO 210 N 0.57 4.43 -0.65 2.79 0.04 -1.26 -4.96 135.00 135.96 3ktn s PRO 210 Ca -0.14 1.18 -0.26 0.00 0.04 0.00 0.00 61.00 61.82 3ktn s PRO 210 Cb -0.17 -2.66 -0.06 0.00 0.04 0.00 0.00 34.50 31.65 3ktn s PRO 210 CO 0.04 0.22 2.16 1.03 0.04 0.00 0.00 177.00 180.50 3ktn s ARG 211 N -2.33 2.25 0.02 4.56 1.81 -1.26 -4.79 118.95 119.21 3ktn s ARG 211 Ca 0.52 0.72 0.05 0.00 -1.72 0.00 0.00 55.73 55.30 3ktn s ARG 211 Cb -0.16 -4.63 0.22 0.00 -0.45 0.00 0.00 34.95 29.93 3ktn s ARG 211 CO 0.21 -3.33 1.15 -0.85 -0.68 0.00 0.00 175.30 171.80 3ktn n GLU 212 N 9.01 0.01 0.02 3.54 0.28 -1.26 -0.20 120.64 132.04 3ktn n GLU 212 Ca 0.34 0.44 0.13 0.00 -0.16 0.00 0.00 57.16 57.91 3ktn n GLU 212 Cb 0.51 -1.53 0.46 0.00 1.43 0.00 0.00 31.44 32.31 3ktn n GLU 212 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3ktn n ASP 213 N -1.55 0.29 -4.91 -1.84 5.75 -1.26 -4.83 116.55 108.21 3ktn n ASP 213 Ca 0.01 0.28 -0.25 0.00 -0.01 0.00 0.00 54.79 54.82 3ktn n ASP 213 Cb 0.05 -0.29 -0.01 0.00 -1.03 0.00 0.00 41.12 39.84 3ktn n ASP 213 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3ktn s LEU 214 N -3.29 2.82 0.10 -2.12 1.43 0.72 -5.12 118.68 113.21 3ktn s LEU 214 Ca 0.12 -1.16 -0.26 0.00 -1.03 0.00 0.00 54.13 51.80 3ktn s LEU 214 Cb 0.17 -1.32 0.08 0.00 0.03 0.00 0.00 46.19 45.15 3ktn s LEU 214 CO 0.60 -1.06 0.83 -1.83 0.23 0.00 0.00 176.35 175.12 3ktn s GLU 215 N -4.29 1.11 5.17 1.70 -1.05 -1.26 -4.84 118.70 115.24 3ktn s GLU 215 Ca 0.38 -0.50 0.00 0.00 -0.15 0.00 0.00 54.97 54.70 3ktn s GLU 215 Cb -0.02 0.45 0.00 0.00 -0.44 0.00 0.00 34.13 34.12 3ktn s GLU 215 CO 0.23 -0.50 0.00 0.41 0.95 0.00 0.00 175.26 176.36 3ktn n GLY 216 N -0.35 2.19 0.14 -3.83 0.00 -1.26 -2.93 105.19 99.15 3ktn n GLY 216 Ca -0.09 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.37 3ktn n GLY 216 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ktn h GLU 217 N 0.00 -0.08 -0.62 1.61 4.81 -2.00 -1.57 114.58 116.73 3ktn h GLU 217 Ca 0.00 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.36 3ktn h GLU 217 Cb 0.00 0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.30 3ktn h GLU 217 CO 0.00 -0.05 0.05 0.00 -0.73 0.00 0.00 179.01 178.28 3ktn h ALA 218 N 1.06 0.67 -0.21 2.92 0.00 -1.99 0.39 119.26 122.09 3ktn h ALA 218 Ca 0.09 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3ktn h ALA 218 Cb 0.22 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3ktn h ALA 218 CO -0.22 -0.37 0.07 0.37 0.00 0.00 0.00 179.25 179.11 3ktn h GLN 219 N 0.17 0.33 0.04 0.00 4.15 -1.37 -1.00 115.11 117.43 3ktn h GLN 219 Ca 0.33 -0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.71 3ktn h GLN 219 Cb 0.52 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.13 3ktn h GLN 219 CO -0.49 0.41 -0.26 1.49 -1.93 0.00 0.00 178.83 178.06 3ktn h GLU 220 N 0.18 -0.41 -0.81 1.69 4.57 -0.15 -2.07 114.58 117.58 3ktn h GLU 220 Ca 0.07 0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.23 3ktn h GLU 220 Cb 0.22 0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.87 3ktn h GLU 220 CO -0.00 -0.27 0.33 1.15 -1.18 0.00 0.00 179.01 179.04 3ktn h THR 221 N -0.42 1.26 -0.37 0.32 2.02 -0.26 -2.70 112.91 112.76 3ktn h THR 221 Ca 0.05 -0.81 0.02 0.00 0.77 0.00 0.00 66.41 66.44 3ktn h THR 221 Cb 0.49 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 3ktn h THR 221 CO -0.20 0.34 0.19 -0.08 0.37 0.00 0.00 175.52 176.14 3ktn h GLU 222 N 1.18 0.38 -0.32 6.66 4.22 -0.88 -0.49 114.58 125.33 3ktn h GLU 222 Ca 0.27 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.68 3ktn h GLU 222 Cb 0.20 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3ktn h GLU 222 CO -0.02 0.25 0.17 1.25 -2.18 0.00 0.00 179.01 178.48 3ktn h LEU 223 N 0.39 0.40 -0.19 1.64 5.85 -1.25 -2.34 115.31 119.82 3ktn h LEU 223 Ca 0.16 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 3ktn h LEU 223 Cb 0.05 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 3ktn h LEU 223 CO -0.10 0.39 -0.12 0.40 -0.34 0.00 0.00 178.44 178.66 3ktn h ILE 224 N 0.39 1.32 0.00 4.05 2.04 -1.25 -2.15 117.51 121.90 3ktn h ILE 224 Ca 0.11 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.75 3ktn h ILE 224 Cb 0.08 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 3ktn h ILE 224 CO -0.02 0.37 0.00 1.56 0.00 0.00 0.00 178.15 180.06 3ktn h GLN 225 N 0.09 0.00 -0.00 2.37 4.20 -1.14 -2.64 115.11 117.98 3ktn h GLN 225 Ca 0.04 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 3ktn h GLN 225 Cb 0.63 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.41 3ktn h GLN 225 CO 0.03 0.00 -0.12 -0.09 -0.67 0.00 0.00 178.83 177.99 3ktn h ARG 226 N 0.00 0.09 -0.51 1.46 2.43 -1.27 -2.00 114.38 114.58 3ktn h ARG 226 Ca 0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3ktn h ARG 226 Cb 0.48 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3ktn h ARG 226 CO 0.00 0.83 0.00 0.34 -1.51 0.00 0.00 179.97 179.63 3ktn n PHE 227 N -4.62 0.00 0.00 2.20 7.35 -0.82 -1.93 117.46 119.63 3ktn n PHE 227 Ca -0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.60 3ktn n PHE 227 Cb 0.43 -0.02 0.00 0.00 0.35 0.00 0.00 39.48 40.24 3ktn n PHE 227 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 3ktn n SER 229 N 0.58 0.00 -0.10 -2.13 3.41 -0.75 -3.13 113.62 111.50 3ktn n SER 229 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.63 3ktn n SER 229 Cb 0.00 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 64.29 3ktn n SER 229 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3ktn h GLN 230 N 0.00 0.74 -0.16 4.33 4.15 -1.65 -2.20 115.11 120.31 3ktn h GLN 230 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3ktn h GLN 230 Cb 0.00 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.53 3ktn h GLN 230 CO 0.00 0.50 0.00 0.66 -1.93 0.00 0.00 178.83 178.06 3ktn n TYR 231 N -4.44 0.21 -3.81 3.99 4.01 -1.18 -4.98 117.16 110.95 3ktn n TYR 231 Ca 0.05 -0.20 -0.29 0.00 -0.16 0.00 0.00 57.90 57.30 3ktn n TYR 231 Cb 0.06 -0.01 0.04 0.00 -0.31 0.00 0.00 39.34 39.11 3ktn n TYR 231 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3ktn n ASN 232 N 0.66 -5.22 -4.76 7.72 5.15 -0.83 -4.79 115.26 113.19 3ktn n ASN 232 Ca 0.09 -0.70 -0.35 0.00 -0.60 0.00 0.00 54.58 53.02 3ktn n ASN 232 Cb 0.36 -4.15 0.03 0.00 -0.53 0.00 0.00 39.78 35.49 3ktn n ASN 232 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3ktn s LEU 233 N -7.27 3.65 -0.17 1.20 1.43 -1.26 -4.94 118.68 111.32 3ktn s LEU 233 Ca 0.64 2.29 -0.12 0.00 -1.03 0.00 0.00 54.13 55.91 3ktn s LEU 233 Cb -0.31 -4.59 -0.22 0.00 0.03 0.00 0.00 46.19 41.10 3ktn s LEU 233 CO 0.79 -1.52 0.23 1.21 0.23 0.00 0.00 176.35 177.28 3ktn n GLU 234 N -1.64 0.67 -4.06 1.70 2.13 0.95 -4.59 120.64 115.80 3ktn n GLU 234 Ca 0.13 0.38 -0.15 0.00 0.66 0.00 0.00 57.16 58.17 3ktn n GLU 234 Cb 0.50 -1.70 -0.15 0.00 0.27 0.00 0.00 31.44 30.37 3ktn n GLU 234 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 3ktn s TRP 235 N -2.48 0.34 -0.09 4.31 0.52 -0.54 -4.48 118.94 116.52 3ktn s TRP 235 Ca -0.27 -0.06 0.00 0.00 0.02 0.00 0.00 56.10 55.80 3ktn s TRP 235 Cb 0.07 -0.24 0.02 0.00 -1.15 0.00 0.00 33.47 32.17 3ktn s TRP 235 CO 0.67 -0.02 -0.08 0.12 0.02 0.00 0.00 176.95 177.66 3ktn s PHE 236 N 0.06 1.35 0.04 -1.98 5.36 -0.42 -0.51 117.98 121.89 3ktn s PHE 236 Ca -0.00 -0.59 -0.02 0.00 -0.96 0.00 0.00 56.93 55.36 3ktn s PHE 236 Cb -0.03 -1.10 -0.03 0.00 -0.34 0.00 0.00 43.02 41.53 3ktn s PHE 236 CO -0.00 -0.40 0.01 0.00 -1.46 0.00 0.00 175.22 173.37 3ktn s ALA 237 N 1.32 0.25 0.01 11.12 0.00 -0.28 0.11 121.76 134.28 3ktn s ALA 237 Ca -0.03 -0.90 -0.07 0.00 0.00 0.00 0.00 51.96 50.97 3ktn s ALA 237 Cb -0.14 0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.26 3ktn s ALA 237 CO -0.04 -0.32 0.31 0.41 0.00 0.00 0.00 175.76 176.12 3ktn n GLY 238 N 0.56 0.68 3.15 0.00 0.00 -0.90 -1.30 105.19 107.38 3ktn n GLY 238 Ca -0.17 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 44.82 3ktn n GLY 238 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ktn s THR 239 N -2.20 0.68 -0.07 2.61 -4.23 -1.26 -1.00 115.64 110.16 3ktn s THR 239 Ca 0.07 -1.74 0.02 0.00 -1.18 0.00 0.00 61.69 58.86 3ktn s THR 239 Cb -0.00 -1.45 0.01 0.00 1.34 0.00 0.00 72.50 72.40 3ktn s THR 239 CO 0.00 -0.75 -0.12 0.28 -0.54 0.00 0.00 174.62 173.49 3ktn s THR 240 N -3.09 1.15 -0.09 3.99 -1.32 0.14 -4.96 115.64 111.45 3ktn s THR 240 Ca 0.07 -0.47 -0.11 0.00 -1.21 0.00 0.00 61.69 59.97 3ktn s THR 240 Cb 0.02 -1.06 -0.05 0.00 -1.51 0.00 0.00 72.50 69.90 3ktn s THR 240 CO -0.03 0.36 0.26 -0.13 -2.21 0.00 0.00 174.62 172.87 3ktn s ARG 241 N 0.76 3.81 0.16 7.08 0.52 -1.26 -1.39 118.95 128.63 3ktn s ARG 241 Ca -0.13 0.10 -0.02 0.00 -0.52 0.00 0.00 55.73 55.16 3ktn s ARG 241 Cb -0.16 -3.26 -0.04 0.00 0.52 0.00 0.00 34.95 32.02 3ktn s ARG 241 CO 0.03 0.62 0.11 -1.54 0.02 0.00 0.00 175.30 174.53 3ktn s SER 242 N -0.67 0.22 -0.17 0.23 1.04 -0.75 -4.99 113.70 108.61 3ktn s SER 242 Ca 0.18 -1.27 -0.07 0.00 0.48 0.00 0.00 55.95 55.27 3ktn s SER 242 Cb -0.14 0.34 0.07 0.00 0.10 0.00 0.00 66.02 66.40 3ktn s SER 242 CO 0.07 -0.79 0.37 -1.38 0.98 0.00 0.00 173.24 172.48 3ktn s HIS 243 N -4.09 -0.63 0.49 5.02 -3.43 -1.26 -0.06 115.29 111.33 3ktn s HIS 243 Ca 0.30 1.28 0.02 0.00 -0.80 0.00 0.00 55.06 55.86 3ktn s HIS 243 Cb 0.07 0.19 0.09 0.00 -1.43 0.00 0.00 32.58 31.51 3ktn s HIS 243 CO 0.06 -0.40 0.68 0.43 -2.00 0.00 0.00 174.74 173.51 3ktn n SER 244 N 5.04 1.09 -4.68 7.38 7.64 -0.26 -4.99 113.62 124.84 3ktn n SER 244 Ca -0.13 -1.88 -0.42 0.00 1.01 0.00 0.00 58.87 57.45 3ktn n SER 244 Cb 0.51 -0.42 -0.03 0.00 -1.01 0.00 0.00 64.21 63.26 3ktn n SER 244 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3ktn s GLN 245 N -4.21 4.23 0.00 1.43 0.74 -1.26 -3.18 119.66 117.41 3ktn s GLN 245 Ca 0.46 2.10 0.00 0.00 0.05 0.00 0.00 55.36 57.97 3ktn s GLN 245 Cb -0.03 -3.71 0.00 0.00 1.10 0.00 0.00 33.01 30.37 3ktn s GLN 245 CO 0.30 -0.70 0.00 0.09 -0.55 0.00 0.00 175.29 174.43 3ktn n ASN 246 N 6.01 0.00 -4.69 6.67 4.13 -1.26 -5.00 115.26 121.12 3ktn n ASN 246 Ca 0.15 0.00 -0.28 0.00 1.68 0.00 0.00 54.58 56.13 3ktn n ASN 246 Cb 0.43 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.59 3ktn n ASN 246 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3ktn s GLN 247 N 0.00 2.51 0.08 3.52 -0.21 -1.19 -5.13 119.66 119.24 3ktn s GLN 247 Ca 0.00 -0.98 0.06 0.00 0.02 0.00 0.00 55.36 54.46 3ktn s GLN 247 Cb 0.00 -2.46 -0.04 0.00 1.00 0.00 0.00 33.01 31.52 3ktn s GLN 247 CO 0.00 0.49 -0.10 -0.80 -2.12 0.00 0.00 175.29 172.76 3ktn s ASN 248 N -2.73 4.38 0.08 5.90 0.01 -1.26 -1.11 114.94 120.21 3ktn s ASN 248 Ca 0.27 -0.35 0.02 0.00 -0.71 0.00 0.00 52.86 52.09 3ktn s ASN 248 Cb -0.10 -0.85 -0.03 0.00 0.41 0.00 0.00 41.25 40.67 3ktn s ASN 248 CO 0.19 0.20 -0.08 -0.31 -1.51 0.00 0.00 177.10 175.59 3ktn s TYR 249 N -1.15 0.87 -0.03 2.20 2.02 0.91 0.06 117.35 122.23 3ktn s TYR 249 Ca 0.20 -0.72 0.05 0.00 -0.37 0.00 0.00 57.07 56.24 3ktn s TYR 249 Cb -0.11 -0.50 -0.01 0.00 -0.40 0.00 0.00 41.96 40.94 3ktn s TYR 249 CO 0.12 -0.09 -0.19 -1.17 -1.57 0.00 0.00 175.55 172.65 3ktn s LEU 250 N -2.43 1.99 -0.02 -1.29 2.96 0.12 -1.81 118.68 118.21 3ktn s LEU 250 Ca 0.03 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 53.58 3ktn s LEU 250 Cb -0.02 -1.02 0.02 0.00 0.50 0.00 0.00 46.19 45.67 3ktn s LEU 250 CO -0.02 0.20 0.01 -0.55 -1.32 0.00 0.00 176.35 174.67 3ktn s SER 251 N -0.22 0.18 0.08 3.68 0.15 -0.48 -0.81 113.70 116.28 3ktn s SER 251 Ca 0.02 0.00 0.04 0.00 0.70 0.00 0.00 55.95 56.71 3ktn s SER 251 Cb -0.10 -0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.08 3ktn s SER 251 CO 0.01 -0.07 0.05 -0.83 1.20 0.00 0.00 173.24 173.59 3ktn s GLY 252 N 0.69 1.98 0.04 9.45 0.00 -1.26 0.25 107.32 118.47 3ktn s GLY 252 Ca -0.06 -1.05 0.04 0.00 0.00 0.00 0.00 44.72 43.64 3ktn s GLY 252 CO -0.02 -1.03 -0.11 -2.52 0.00 0.00 0.00 173.10 169.42 3ktn s TYR 253 N -1.36 0.92 -0.07 1.90 -0.85 -0.17 -0.94 117.35 116.78 3ktn s TYR 253 Ca 0.28 -0.41 -0.02 0.00 -0.52 0.00 0.00 57.07 56.40 3ktn s TYR 253 Cb -0.12 -0.54 0.03 0.00 0.38 0.00 0.00 41.96 41.72 3ktn s TYR 253 CO 0.20 -0.01 0.05 -1.17 -1.52 0.00 0.00 175.55 173.10 3ktn s LEU 254 N -1.36 0.33 0.18 -3.49 2.96 0.41 -2.12 118.68 115.59 3ktn s LEU 254 Ca -0.04 -0.10 0.08 0.00 -0.22 0.00 0.00 54.13 53.86 3ktn s LEU 254 Cb -0.09 -0.25 -0.04 0.00 0.50 0.00 0.00 46.19 46.31 3ktn s LEU 254 CO 0.01 -0.25 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.43 3ktn s TYR 255 N 2.10 2.72 0.39 5.38 2.02 0.12 -1.19 117.35 128.89 3ktn s TYR 255 Ca 0.04 -0.19 0.04 0.00 -0.37 0.00 0.00 57.07 56.60 3ktn s TYR 255 Cb -0.13 -1.32 -0.03 0.00 -0.40 0.00 0.00 41.96 40.09 3ktn s TYR 255 CO -0.05 0.52 0.14 0.95 -1.57 0.00 0.00 175.55 175.55 3ktn s THR 256 N -1.76 0.55 0.27 -0.71 -4.23 -0.74 -1.30 115.64 107.73 3ktn s THR 256 Ca 0.26 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.06 3ktn s THR 256 Cb -0.09 -2.38 0.31 0.00 1.34 0.00 0.00 72.50 71.68 3ktn s THR 256 CO 0.17 0.00 1.99 1.56 -0.54 0.00 0.00 174.62 177.80 3ktn h GLN 257 N 1.85 0.00 0.00 3.99 4.20 -1.81 -3.24 115.11 120.10 3ktn h GLN 257 Ca -0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.36 3ktn h GLN 257 Cb 1.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.05 3ktn h GLN 257 CO 0.55 0.12 -0.01 0.09 -0.67 0.00 0.00 178.83 178.92 3ktn n ASN 258 N -3.39 1.71 -3.96 1.46 3.02 -1.26 -4.90 115.26 107.94 3ktn n ASN 258 Ca -0.01 -1.92 -0.09 0.00 -0.03 0.00 0.00 54.58 52.53 3ktn n ASN 258 Cb 0.30 -0.03 -0.08 0.00 -0.61 0.00 0.00 39.78 39.37 3ktn n ASN 258 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3ktn s GLU 259 N -0.96 0.99 -0.14 3.52 2.02 -1.22 -5.15 118.70 117.75 3ktn s GLU 259 Ca 0.02 -1.15 -0.05 0.00 0.02 0.00 0.00 54.97 53.81 3ktn s GLU 259 Cb 0.02 0.34 0.07 0.00 0.10 0.00 0.00 34.13 34.65 3ktn s GLU 259 CO 0.00 -0.33 0.29 -0.47 0.02 0.00 0.00 175.26 174.77 3ktn s TYR 260 N -3.94 -0.49 -0.13 1.61 5.04 -1.26 -1.79 117.35 116.38 3ktn s TYR 260 Ca 0.14 1.07 0.01 0.00 -2.44 0.00 0.00 57.07 55.84 3ktn s TYR 260 Cb 0.05 0.02 0.02 0.00 0.35 0.00 0.00 41.96 42.40 3ktn s TYR 260 CO -0.04 -0.38 -0.14 -1.14 -1.34 0.00 0.00 175.55 172.52 3ktn s GLN 261 N 2.45 2.16 -0.03 4.97 2.00 -0.33 -5.01 119.66 125.88 3ktn s GLN 261 Ca 0.01 -0.52 0.07 0.00 -2.00 0.00 0.00 55.36 52.92 3ktn s GLN 261 Cb -0.12 -1.96 -0.02 0.00 0.80 0.00 0.00 33.01 31.71 3ktn s GLN 261 CO -0.09 -0.19 -0.24 -1.14 -0.50 0.00 0.00 175.29 173.13 3ktn s GLN 262 N 1.36 2.22 0.55 1.67 2.00 -1.26 -0.44 119.66 125.75 3ktn s GLN 262 Ca 0.01 -0.89 -0.04 0.00 -2.00 0.00 0.00 55.36 52.44 3ktn s GLN 262 Cb -0.13 -2.11 0.00 0.00 0.80 0.00 0.00 33.01 31.57 3ktn s GLN 262 CO -0.07 0.55 0.83 -1.54 -0.50 0.00 0.00 175.29 174.56 3ktn s SER 263 N -0.58 5.68 0.48 6.67 1.04 -0.12 -5.01 113.70 121.86 3ktn s SER 263 Ca 0.09 0.60 -0.20 0.00 0.48 0.00 0.00 55.95 56.92 3ktn s SER 263 Cb -0.10 -1.67 -0.09 0.00 0.10 0.00 0.00 66.02 64.25 3ktn s SER 263 CO -0.00 -0.95 1.00 -1.83 0.98 0.00 0.00 173.24 172.44 3ktn s GLU 264 N -4.86 3.94 0.21 4.02 -1.05 -1.26 -4.60 118.70 115.10 3ktn s GLU 264 Ca 0.52 1.20 -0.32 0.00 -0.15 0.00 0.00 54.97 56.22 3ktn s GLU 264 Cb -0.10 -2.13 -0.13 0.00 -0.44 0.00 0.00 34.13 31.33 3ktn s GLU 264 CO 0.43 -0.29 1.50 1.63 0.95 0.00 0.00 175.26 179.48 3ktn n LYS 265 N -1.03 2.17 -4.43 -4.83 5.02 -1.26 -4.79 118.16 109.02 3ktn n LYS 265 Ca 0.08 0.78 -0.34 0.00 -2.02 0.00 0.00 58.31 56.81 3ktn n LYS 265 Cb 0.53 -2.50 -0.14 0.00 -0.02 0.00 0.00 35.03 32.90 3ktn n LYS 265 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3ktn s ARG 266 N 0.15 3.37 0.27 1.97 1.81 0.01 -4.91 118.95 121.62 3ktn s ARG 266 Ca 0.72 -0.67 -0.30 0.00 -1.72 0.00 0.00 55.73 53.77 3ktn s ARG 266 Cb -0.64 -2.77 -0.13 0.00 -0.45 0.00 0.00 34.95 30.96 3ktn s ARG 266 CO 0.44 0.05 1.31 -2.30 -0.68 0.00 0.00 175.30 174.12 3ktn n PRO 267 N 4.01 1.91 -4.89 3.54 -0.02 -1.26 -0.70 135.00 137.59 3ktn n PRO 267 Ca -0.18 0.68 -0.32 0.00 -2.02 0.00 0.00 63.50 61.65 3ktn n PRO 267 Cb 0.52 -2.26 -0.17 0.00 -0.02 0.00 0.00 33.50 31.57 3ktn n PRO 267 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3ktn s LEU 268 N -0.13 2.15 -0.23 2.45 2.96 0.11 -4.77 118.68 121.21 3ktn s LEU 268 Ca 0.64 -0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 53.96 3ktn s LEU 268 Cb -0.65 -1.44 0.02 0.00 0.50 0.00 0.00 46.19 44.62 3ktn s LEU 268 CO 0.55 0.12 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.85 3ktn s LEU 269 N 0.61 2.95 -0.53 -0.68 1.43 -1.26 -4.37 118.68 116.83 3ktn s LEU 269 Ca -0.12 -0.74 -0.20 0.00 -1.03 0.00 0.00 54.13 52.04 3ktn s LEU 269 Cb -0.17 -1.65 0.07 0.00 0.03 0.00 0.00 46.19 44.47 3ktn s LEU 269 CO 0.03 -0.08 0.68 0.21 0.23 0.00 0.00 176.35 177.41 3ktn s ASN 270 N 1.35 6.22 -0.26 2.29 3.84 -1.26 -4.28 114.94 122.84 3ktn s ASN 270 Ca 0.02 -0.96 0.01 0.00 0.21 0.00 0.00 52.86 52.14 3ktn s ASN 270 Cb -0.16 -2.31 -0.17 0.00 -0.55 0.00 0.00 41.25 38.06 3ktn s ASN 270 CO -0.06 -0.98 -0.21 -0.11 -2.79 0.00 0.00 177.10 172.95 3ktn n LEU 271 N 6.37 2.95 -3.19 3.21 7.94 0.03 -4.94 117.00 129.36 3ktn n LEU 271 Ca -0.06 -0.12 0.04 0.00 -1.11 0.00 0.00 56.01 54.75 3ktn n LEU 271 Cb 0.45 -0.91 -0.01 0.00 0.53 0.00 0.00 43.42 43.47 3ktn n LEU 271 CO 0.56 0.93 0.19 -0.62 -1.11 0.00 0.00 177.39 177.34 3ktn s ASP 272 N -6.56 -1.32 0.00 1.96 -1.08 -0.70 -4.91 116.67 104.07 3ktn s ASP 272 Ca -0.35 0.90 0.24 0.00 -0.52 0.00 0.00 52.55 52.82 3ktn s ASP 272 Cb 0.09 2.13 0.26 0.00 -1.46 0.00 0.00 42.92 43.95 3ktn s ASP 272 CO 0.60 -0.25 1.25 -2.11 0.52 0.00 0.00 175.17 175.19 3ktn n ARG 273 N 5.43 0.77 -1.67 4.34 1.85 -1.26 -4.15 116.66 121.96 3ktn n ARG 273 Ca -0.02 -0.57 -0.44 0.00 -1.00 0.00 0.00 57.85 55.82 3ktn n ARG 273 Cb 0.51 -1.49 -0.04 0.00 -1.05 0.00 0.00 32.46 30.40 3ktn n ARG 273 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 3ktn n ILE 274 N -0.62 0.56 -0.55 8.89 5.41 -1.26 -1.27 119.36 130.53 3ktn n ILE 274 Ca 0.09 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.74 3ktn n ILE 274 Cb 0.39 -2.11 0.00 0.00 -0.71 0.00 0.00 39.64 37.21 3ktn n ILE 274 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3ktn n GLY 275 N 4.36 1.91 0.33 7.39 0.00 -1.26 -4.01 105.19 113.90 3ktn n GLY 275 Ca 0.20 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.39 3ktn n GLY 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ktn h ALA 276 N 0.00 1.68 0.00 4.61 0.00 -1.44 0.18 119.26 124.29 3ktn h ALA 276 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3ktn h ALA 276 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3ktn h ALA 276 CO 0.00 -0.22 -0.17 0.78 0.00 0.00 0.00 179.25 179.64 3ktn h GLY 277 N 0.00 0.00 2.00 0.00 0.00 -1.90 -1.74 103.07 101.44 3ktn h GLY 277 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 3ktn h GLY 277 CO -0.00 0.00 -0.01 -0.55 0.00 0.00 0.00 176.54 175.98 3ktn h ASP 278 N 0.00 0.00 0.40 0.19 3.32 -1.03 -2.73 116.42 116.57 3ktn h ASP 278 Ca -0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 3ktn h ASP 278 Cb 0.35 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 3ktn h ASP 278 CO 0.02 0.01 -0.93 0.00 -1.72 0.00 0.00 179.24 176.63 3ktn h ALA 279 N 1.99 0.40 -0.11 3.45 0.00 -1.37 -1.51 119.26 122.11 3ktn h ALA 279 Ca -0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 3ktn h ALA 279 Cb 0.80 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 3ktn h ALA 279 CO 0.00 0.84 0.02 -0.92 0.00 0.00 0.00 179.25 179.20 3ktn h TYR 280 N 0.20 0.19 -0.85 0.00 3.20 -1.38 -1.74 116.97 116.58 3ktn h TYR 280 Ca -0.07 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.81 3ktn h TYR 280 Cb 1.56 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 39.73 3ktn h TYR 280 CO 0.05 0.36 0.55 0.00 -1.64 0.00 0.00 178.16 177.48 3ktn h ALA 281 N 0.81 1.12 -0.71 1.82 0.00 -1.48 -0.64 119.26 120.18 3ktn h ALA 281 Ca 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ktn h ALA 281 Cb 0.27 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3ktn h ALA 281 CO 0.00 0.39 0.39 0.00 0.00 0.00 0.00 179.25 180.03 3ktn h ALA 282 N 1.35 1.34 -0.46 0.00 0.00 -1.09 0.84 119.26 121.24 3ktn h ALA 282 Ca 0.34 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 3ktn h ALA 282 Cb 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3ktn h ALA 282 CO -0.12 0.54 -0.22 0.78 0.00 0.00 0.00 179.25 180.23 3ktn h GLY 283 N 1.04 1.03 0.73 0.00 0.00 -0.35 -0.58 103.07 104.94 3ktn h GLY 283 Ca 0.25 -0.91 -0.00 0.00 0.00 0.00 0.00 47.33 46.68 3ktn h GLY 283 CO -0.04 0.82 0.00 -2.22 0.00 0.00 0.00 176.54 175.10 3ktn h ILE 284 N 0.82 1.21 -0.86 2.60 1.08 -0.49 -1.51 117.51 120.36 3ktn h ILE 284 Ca 0.11 -0.63 0.01 0.00 -0.39 0.00 0.00 64.86 63.96 3ktn h ILE 284 Cb 0.79 1.64 -0.04 0.00 -3.07 0.00 0.00 36.82 36.13 3ktn h ILE 284 CO 0.07 0.16 0.57 -0.07 -0.69 0.00 0.00 178.15 178.19 3ktn h LEU 285 N -0.26 0.99 -0.59 1.44 3.38 -0.82 -1.02 115.31 118.42 3ktn h LEU 285 Ca 0.00 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3ktn h LEU 285 Cb 0.27 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3ktn h LEU 285 CO 0.00 0.71 0.19 0.22 0.09 0.00 0.00 178.44 179.66 3ktn h TYR 286 N 1.16 0.95 -0.72 1.13 3.20 -0.96 -0.09 116.97 121.65 3ktn h TYR 286 Ca 0.31 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 3ktn h TYR 286 Cb -0.13 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 37.83 3ktn h TYR 286 CO 0.00 0.79 0.39 0.78 -1.64 0.00 0.00 178.16 178.48 3ktn h GLY 287 N 0.84 1.07 0.84 1.82 0.00 -0.62 -2.02 103.07 105.00 3ktn h GLY 287 Ca 0.19 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 3ktn h GLY 287 CO -0.01 0.46 0.03 -1.82 0.00 0.00 0.00 176.54 175.21 3ktn h TYR 288 N 1.01 0.16 0.00 5.60 3.20 -0.54 -0.68 116.97 125.72 3ktn h TYR 288 Ca 0.26 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.11 3ktn h TYR 288 Cb 0.03 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.26 3ktn h TYR 288 CO 0.01 0.29 -0.00 0.66 -1.64 0.00 0.00 178.16 177.48 3ktn h SER 289 N -0.02 0.00 -0.35 -2.11 4.64 -0.61 0.34 113.55 115.43 3ktn h SER 289 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3ktn h SER 289 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3ktn h SER 289 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3ktn n GLN 290 N -3.59 2.47 -3.77 4.77 1.13 -0.80 -4.66 117.38 112.93 3ktn n GLN 290 Ca -0.03 -2.24 -0.26 0.00 -1.94 0.00 0.00 57.00 52.52 3ktn n GLN 290 Cb 0.08 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 28.94 3ktn n GLN 290 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3ktn n ASN 291 N 1.46 -2.48 -4.92 1.08 4.13 0.11 -4.97 115.26 109.67 3ktn n ASN 291 Ca 0.19 -0.95 -0.26 0.00 1.68 0.00 0.00 54.58 55.23 3ktn n ASN 291 Cb 0.60 -3.49 0.01 0.00 -1.54 0.00 0.00 39.78 35.37 3ktn n ASN 291 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3ktn s TRP 292 N -3.69 3.38 0.84 3.10 0.51 -0.33 -5.04 118.94 117.70 3ktn s TRP 292 Ca 0.18 0.62 -0.11 0.00 -2.12 0.00 0.00 56.10 54.68 3ktn s TRP 292 Cb -0.06 -2.45 0.09 0.00 -0.81 0.00 0.00 33.47 30.24 3ktn s TRP 292 CO 0.86 -0.48 1.09 -1.54 -0.51 0.00 0.00 176.95 176.37 3ktn s SER 293 N -4.20 4.01 0.33 2.95 1.04 -1.26 -4.81 113.70 111.76 3ktn s SER 293 Ca 0.50 1.58 0.03 0.00 0.48 0.00 0.00 55.95 58.53 3ktn s SER 293 Cb -0.10 -2.28 0.58 0.00 0.10 0.00 0.00 66.02 64.31 3ktn s SER 293 CO 0.43 -2.31 1.90 -0.07 0.98 0.00 0.00 173.24 174.17 3ktn h LEU 294 N -1.32 0.61 -0.21 2.42 3.38 -1.98 -1.53 115.31 116.68 3ktn h LEU 294 Ca -0.47 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.38 3ktn h LEU 294 Cb 1.26 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 3ktn h LEU 294 CO 0.54 0.59 0.00 -0.08 0.09 0.00 0.00 178.44 179.58 3ktn h GLU 295 N 0.66 0.37 -0.67 1.13 4.81 -1.94 -1.55 114.58 117.38 3ktn h GLU 295 Ca 0.15 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 3ktn h GLU 295 Cb 0.20 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 3ktn h GLU 295 CO -0.01 0.56 0.14 -0.22 -0.73 0.00 0.00 179.01 178.75 3ktn h LYS 296 N 0.13 1.09 -0.26 1.92 3.64 -1.87 -1.80 116.57 119.43 3ktn h LYS 296 Ca 0.06 -0.28 -0.05 0.00 -1.27 0.00 0.00 60.65 59.11 3ktn h LYS 296 Cb 0.39 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3ktn h LYS 296 CO 0.01 0.98 -0.04 0.00 -2.27 0.00 0.00 179.45 178.13 3ktn h ALA 297 N 1.06 0.35 -0.14 5.00 0.00 -1.25 -1.53 119.26 122.75 3ktn h ALA 297 Ca 0.21 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3ktn h ALA 297 Cb 0.40 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3ktn h ALA 297 CO 0.01 0.13 -0.42 -0.24 0.00 0.00 0.00 179.25 178.72 3ktn h VAL 298 N 0.24 1.31 -0.11 0.00 3.04 -1.24 -0.34 116.25 119.15 3ktn h VAL 298 Ca 0.07 -1.57 -0.04 0.00 -1.01 0.00 0.00 66.70 64.15 3ktn h VAL 298 Cb 0.49 1.67 -0.00 0.00 -2.01 0.00 0.00 31.29 31.44 3ktn h VAL 298 CO 0.02 0.48 -0.08 0.74 -1.01 0.00 0.00 177.57 177.71 3ktn h THR 299 N 0.27 1.34 -0.25 3.17 2.02 -1.29 -1.77 112.91 116.40 3ktn h THR 299 Ca 0.02 -1.19 -0.00 0.00 0.77 0.00 0.00 66.41 66.01 3ktn h THR 299 Cb 0.86 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 69.16 3ktn h THR 299 CO 0.07 0.34 0.15 0.15 0.37 0.00 0.00 175.52 176.60 3ktn h PHE 300 N -0.15 0.33 -0.58 3.16 3.57 -1.19 -2.54 116.94 119.54 3ktn h PHE 300 Ca 0.02 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 3ktn h PHE 300 Cb 0.58 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 3ktn h PHE 300 CO 0.08 0.25 0.10 0.00 -2.23 0.00 0.00 178.31 176.51 3ktn h ALA 301 N 1.05 1.08 -0.42 2.41 0.00 -1.08 -1.82 119.26 120.49 3ktn h ALA 301 Ca 0.09 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3ktn h ALA 301 Cb 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3ktn h ALA 301 CO -0.02 0.60 -0.05 1.15 0.00 0.00 0.00 179.25 180.93 3ktn h THR 302 N 0.88 1.27 -0.74 0.00 2.02 -1.22 -0.12 112.91 115.00 3ktn h THR 302 Ca 0.18 -1.12 -0.04 0.00 0.77 0.00 0.00 66.41 66.20 3ktn h THR 302 Cb 0.37 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 3ktn h THR 302 CO 0.01 0.38 0.30 0.58 0.37 0.00 0.00 175.52 177.16 3ktn h VAL 303 N 0.61 1.25 -0.86 3.16 2.07 -1.33 -0.83 116.25 120.32 3ktn h VAL 303 Ca 0.11 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 3ktn h VAL 303 Cb 0.56 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3ktn h VAL 303 CO 0.03 0.32 0.45 -1.13 0.02 0.00 0.00 177.57 177.26 3ktn h ASN 304 N 1.07 1.09 -0.78 0.57 -1.24 -1.05 -0.63 115.58 114.61 3ktn h ASN 304 Ca 0.25 -0.11 -0.05 0.00 0.71 0.00 0.00 56.30 57.10 3ktn h ASN 304 Cb 0.21 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 38.95 3ktn h ASN 304 CO -0.02 0.89 0.28 1.23 -1.29 0.00 0.00 177.43 178.52 3ktn h GLY 305 N 1.22 1.27 1.05 1.57 0.00 -0.28 -1.31 103.07 106.59 3ktn h GLY 305 Ca 0.30 -0.72 -0.09 0.00 0.00 0.00 0.00 47.33 46.82 3ktn h GLY 305 CO -0.04 0.67 -0.01 -2.08 0.00 0.00 0.00 176.54 175.08 3ktn h VAL 306 N 1.14 1.26 -0.83 4.60 2.07 -0.65 -2.94 116.25 120.91 3ktn h VAL 306 Ca 0.26 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 3ktn h VAL 306 Cb 0.26 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 3ktn h VAL 306 CO -0.02 0.41 0.46 -0.07 0.02 0.00 0.00 177.57 178.36 3ktn h LEU 307 N 0.87 1.02 -1.95 2.57 3.38 -0.76 -2.33 115.31 118.12 3ktn h LEU 307 Ca 0.16 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3ktn h LEU 307 Cb 0.55 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3ktn h LEU 307 CO 0.03 0.82 -0.05 0.00 0.09 0.00 0.00 178.44 179.33 3ktn h ALA 308 N 1.35 1.86 0.00 1.53 0.00 -1.07 -0.78 119.26 122.16 3ktn h ALA 308 Ca 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3ktn h ALA 308 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ktn h ALA 308 CO -0.05 0.06 0.00 0.45 0.00 0.00 0.00 179.25 179.71 3ktn h HIS 309 N 0.00 0.00 -0.02 0.00 3.86 -1.38 -2.72 115.15 114.89 3ktn h HIS 309 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3ktn h HIS 309 Cb 0.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.56 3ktn h HIS 309 CO 0.00 0.00 -0.20 0.25 0.86 0.00 0.00 177.93 178.84 3ktn n THR 310 N -2.55 0.00 -3.77 2.45 -2.24 -0.31 -0.79 114.28 107.07 3ktn n THR 310 Ca 0.02 -0.34 -0.36 0.00 -2.27 0.00 0.00 64.05 61.11 3ktn n THR 310 Cb 0.31 1.14 -0.10 0.00 -2.10 0.00 0.00 70.33 69.58 3ktn n THR 310 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3ktn s ILE 311 N -2.23 4.95 0.24 2.28 1.01 -1.03 -4.93 121.20 121.49 3ktn s ILE 311 Ca 0.26 0.04 -0.30 0.00 0.00 0.00 0.00 60.65 60.64 3ktn s ILE 311 Cb 0.19 -3.30 -0.10 0.00 0.01 0.00 0.00 42.46 39.27 3ktn s ILE 311 CO 0.43 0.36 1.42 -1.10 0.00 0.00 0.00 174.94 176.05 3ktn s GLN 312 N 1.09 4.29 0.00 2.79 -0.21 -1.26 -4.58 119.66 121.78 3ktn s GLN 312 Ca 0.06 2.25 0.00 0.00 0.02 0.00 0.00 55.36 57.69 3ktn s GLN 312 Cb -0.14 -3.13 0.00 0.00 1.00 0.00 0.00 33.01 30.74 3ktn s GLN 312 CO 0.04 -0.39 0.00 0.41 -2.12 0.00 0.00 175.29 173.23 3ktn n GLY 313 N 2.29 0.28 0.22 3.09 0.00 -1.26 -4.77 105.19 105.03 3ktn n GLY 313 Ca 0.07 -1.78 -0.06 0.00 0.00 0.00 0.00 46.02 44.25 3ktn n GLY 313 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ktn h ASP 314 N 0.00 0.51 -2.72 1.61 3.45 -1.87 -3.45 116.42 113.95 3ktn h ASP 314 Ca 0.00 -0.23 -0.56 0.00 0.43 0.00 0.00 57.03 56.68 3ktn h ASP 314 Cb 0.00 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 38.61 3ktn h ASP 314 CO 0.00 0.87 1.04 -0.63 -1.57 0.00 0.00 179.24 178.95 3ktn s ILE 315 N -4.20 3.81 -0.74 0.35 -1.09 -1.26 -4.61 121.20 113.46 3ktn s ILE 315 Ca -0.07 0.97 -0.25 0.00 -2.23 0.00 0.00 60.65 59.07 3ktn s ILE 315 Cb 0.13 -3.65 0.05 0.00 -1.58 0.00 0.00 42.46 37.40 3ktn s ILE 315 CO 0.81 -0.12 1.19 -2.84 -1.23 0.00 0.00 174.94 172.75 3ktn s PRO 316 N 3.97 3.20 -1.14 2.79 0.02 -1.26 -4.92 135.00 137.65 3ktn s PRO 316 Ca 0.68 -0.52 -0.06 0.00 0.02 0.00 0.00 61.00 61.12 3ktn s PRO 316 Cb -0.29 -4.29 0.26 0.00 0.02 0.00 0.00 34.50 30.21 3ktn s PRO 316 CO 0.25 -2.04 1.56 1.28 -0.33 0.00 0.00 177.00 177.72 3ktn n LEU 317 N 8.76 6.39 -4.46 -5.54 4.77 -1.26 -3.92 117.00 121.74 3ktn n LEU 317 Ca 0.03 -5.03 -0.24 0.00 -0.03 0.00 0.00 56.01 50.74 3ktn n LEU 317 Cb 0.48 -1.35 -0.10 0.00 -2.33 0.00 0.00 43.42 40.11 3ktn n LEU 317 CO 0.68 1.56 -0.49 0.42 -1.33 0.00 0.00 177.39 178.23 3ktn s THR 318 N -1.70 2.46 0.28 -5.08 -4.23 -1.26 -5.14 115.64 100.97 3ktn s THR 318 Ca 0.34 -2.37 0.10 0.00 -1.18 0.00 0.00 61.69 58.58 3ktn s THR 318 Cb 0.05 -2.28 -0.05 0.00 1.34 0.00 0.00 72.50 71.56 3ktn s THR 318 CO 0.06 -0.37 -0.15 0.42 -0.54 0.00 0.00 174.62 174.04 3ktn s THR 319 N -2.42 2.18 0.22 3.99 -4.23 -1.26 -4.40 115.64 109.72 3ktn s THR 319 Ca 0.29 -2.29 -0.09 0.00 -1.18 0.00 0.00 61.69 58.42 3ktn s THR 319 Cb -0.05 -2.34 0.17 0.00 1.34 0.00 0.00 72.50 71.61 3ktn s THR 319 CO 0.14 -0.38 1.87 0.58 -0.54 0.00 0.00 174.62 176.29 3ktn h VAL 320 N 2.27 1.15 -0.71 2.29 2.07 -1.91 -2.06 116.25 119.35 3ktn h VAL 320 Ca -0.40 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.73 3ktn h VAL 320 Cb 1.25 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3ktn h VAL 320 CO 0.64 0.18 0.26 0.11 0.02 0.00 0.00 177.57 178.77 3ktn h LYS 321 N 1.00 1.07 -0.23 1.57 1.57 -1.96 -1.26 116.57 118.33 3ktn h LYS 321 Ca 0.30 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3ktn h LYS 321 Cb -0.04 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 3ktn h LYS 321 CO -0.09 0.89 0.08 0.37 -0.57 0.00 0.00 179.45 180.12 3ktn h GLN 322 N 1.04 0.35 -0.29 3.15 4.15 -1.85 0.11 115.11 121.78 3ktn h GLN 322 Ca 0.24 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.58 3ktn h GLN 322 Cb 0.24 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 3ktn h GLN 322 CO -0.02 0.43 0.16 0.28 -1.93 0.00 0.00 178.83 177.76 3ktn h VAL 323 N 0.20 1.12 -0.23 2.39 2.07 -1.23 -1.95 116.25 118.63 3ktn h VAL 323 Ca 0.07 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 3ktn h VAL 323 Cb 0.22 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3ktn h VAL 323 CO -0.00 0.12 -0.05 0.78 0.02 0.00 0.00 177.57 178.44 3ktn h ASN 324 N 0.35 0.33 -0.37 0.57 -0.26 -1.10 -1.93 115.58 113.16 3ktn h ASN 324 Ca 0.10 -0.06 -0.10 0.00 -0.56 0.00 0.00 56.30 55.68 3ktn h ASN 324 Cb 0.06 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.21 3ktn h ASN 324 CO -0.02 0.43 -0.14 -0.74 -1.06 0.00 0.00 177.43 175.91 3ktn h HIS 325 N 0.34 0.93 -0.58 1.19 2.76 -0.31 0.22 115.15 119.71 3ktn h HIS 325 Ca 0.07 -0.18 -0.08 0.00 -2.20 0.00 0.00 60.37 57.98 3ktn h HIS 325 Cb 0.31 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.02 3ktn h HIS 325 CO 0.01 0.92 0.05 0.28 -1.30 0.00 0.00 177.93 177.89 3ktn h VAL 326 N 0.75 1.26 -0.14 5.26 2.07 -0.71 0.46 116.25 125.20 3ktn h VAL 326 Ca 0.12 -1.05 -0.04 0.00 0.82 0.00 0.00 66.70 66.55 3ktn h VAL 326 Cb 0.65 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3ktn h VAL 326 CO 0.05 0.38 -0.07 -0.07 0.02 0.00 0.00 177.57 177.88 3ktn h LEU 327 N 0.87 0.30 -0.18 2.57 3.38 -1.05 -3.12 115.31 118.10 3ktn h LEU 327 Ca 0.17 -0.41 -0.17 0.00 0.09 0.00 0.00 57.88 57.56 3ktn h LEU 327 Cb 0.47 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3ktn h LEU 327 CO 0.02 0.65 -0.81 -0.33 0.09 0.00 0.00 178.44 178.06 3ktn h GLU 328 N -0.04 0.00 -2.22 1.13 5.08 -0.51 -3.39 114.58 114.62 3ktn h GLU 328 Ca 0.03 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.81 3ktn h GLU 328 Cb 0.53 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.39 3ktn h GLU 328 CO 0.02 0.81 -0.92 0.72 -1.00 0.00 0.00 179.01 178.63 3ktn n HIS 329 N -3.41 0.67 0.30 4.33 8.25 0.16 -4.96 115.22 120.56 3ktn n HIS 329 Ca 0.00 -3.70 0.16 0.00 -0.26 0.00 0.00 57.72 53.92 3ktn n HIS 329 Cb 0.82 -0.28 0.94 0.00 1.12 0.00 0.00 29.99 32.59 3ktn n HIS 329 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3ktn h PRO 330 N 4.52 0.00 -0.02 -0.41 0.11 -1.71 -2.85 132.00 131.64 3ktn h PRO 330 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3ktn h PRO 330 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3ktn h PRO 330 CO 0.54 0.00 -0.11 0.09 -0.21 0.00 0.00 178.00 178.31 3ktn n ASN 331 N -3.79 2.39 -4.51 -2.05 4.13 -1.26 -4.83 115.26 105.35 3ktn n ASN 331 Ca -0.03 -1.74 -0.43 0.00 1.68 0.00 0.00 54.58 54.06 3ktn n ASN 331 Cb 0.09 0.10 -0.06 0.00 -1.54 0.00 0.00 39.78 38.36 3ktn n ASN 331 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3ktn s ILE 332 N -2.12 4.79 -2.60 2.41 -1.09 -1.08 -4.89 121.20 116.62 3ktn s ILE 332 Ca 0.28 0.08 0.21 0.00 -2.23 0.00 0.00 60.65 58.99 3ktn s ILE 332 Cb 0.20 -4.25 0.21 0.00 -1.58 0.00 0.00 42.46 37.04 3ktn s ILE 332 CO 0.37 -0.66 1.21 -0.90 -1.23 0.00 0.00 174.94 173.73 3ktn n ASP 333 N 6.36 2.90 -3.70 3.58 5.68 -1.26 -4.90 116.55 125.21 3ktn n ASP 333 Ca -0.02 -1.91 -0.15 0.00 -0.50 0.00 0.00 54.79 52.22 3ktn n ASP 333 Cb 0.48 -0.05 -0.15 0.00 -1.14 0.00 0.00 41.12 40.26 3ktn n ASP 333 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 3ktn s LEU 334 N -1.71 0.23 -0.13 -2.12 1.98 -1.26 -5.14 118.68 110.52 3ktn s LEU 334 Ca 0.27 0.35 -0.00 0.00 -2.89 0.00 0.00 54.13 51.86 3ktn s LEU 334 Cb 0.18 0.36 -0.02 0.00 0.66 0.00 0.00 46.19 47.38 3ktn s LEU 334 CO 0.27 -0.20 -0.13 -0.63 -1.89 0.00 0.00 176.35 173.77 3ktn s ILE 335 N 1.83 3.10 -0.15 6.68 1.01 -1.26 -5.11 121.20 127.29 3ktn s ILE 335 Ca -0.02 -0.65 -0.02 0.00 0.00 0.00 0.00 60.65 59.96 3ktn s ILE 335 Cb -0.12 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 3ktn s ILE 335 CO -0.06 0.52 -0.07 -0.13 0.00 0.00 0.00 174.94 175.20 3ktn s ARG 336 N 0.33 3.52 0.19 2.79 0.52 -1.26 -5.11 118.95 119.93 3ktn s ARG 336 Ca -0.10 -0.60 0.00 0.00 -0.52 0.00 0.00 55.73 54.51 3ktn s ARG 336 Cb -0.16 -2.82 -0.04 0.00 0.52 0.00 0.00 34.95 32.45 3ktn s ARG 336 CO 0.06 0.17 0.08 -1.21 0.02 0.00 0.00 175.30 174.41 3ktn s GLU 337 N 0.51 1.16 0.00 3.54 2.02 -1.26 -4.88 118.70 119.79 3ktn s GLU 337 Ca -0.06 -1.59 0.00 0.00 0.02 0.00 0.00 54.97 53.34 3ktn s GLU 337 Cb -0.15 0.03 0.00 0.00 0.10 0.00 0.00 34.13 34.11 3ktn s GLU 337 CO 0.03 -0.28 0.00 0.41 0.02 0.00 0.00 175.26 175.44 3ktn n GLY 338 N -0.26 0.75 0.00 -1.39 0.00 -1.26 -5.37 105.19 97.65 3ktn n GLY 338 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.08 3ktn n GLY 338 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93