#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k3t s PRO 2 N 0.00 4.16 0.19 0.03 0.02 -1.25 -4.95 135.00 133.20 1k3t s PRO 2 Ca 0.00 2.50 -0.30 0.00 0.02 0.00 0.00 61.00 63.22 1k3t s PRO 2 Cb 0.00 -3.02 -0.08 0.00 0.02 0.00 0.00 34.50 31.41 1k3t s PRO 2 CO 0.00 -0.53 1.17 0.96 -0.33 0.00 0.00 177.00 178.27 1k3t s ILE 3 N -0.42 3.60 -0.41 2.83 -4.36 -0.48 -4.70 121.20 117.26 1k3t s ILE 3 Ca 0.58 1.38 -0.21 0.00 -0.26 0.00 0.00 60.65 62.14 1k3t s ILE 3 Cb -0.46 -3.88 0.02 0.00 1.25 0.00 0.00 42.46 39.39 1k3t s ILE 3 CO 0.52 0.23 0.65 -0.54 0.24 0.00 0.00 174.94 176.05 1k3t s LYS 4 N -0.39 3.43 0.05 0.37 -0.14 -1.26 -0.28 119.74 121.51 1k3t s LYS 4 Ca 0.51 -0.20 0.04 0.00 -1.36 0.00 0.00 55.97 54.96 1k3t s LYS 4 Cb -0.32 -3.90 -0.04 0.00 -1.68 0.00 0.00 37.83 31.89 1k3t s LYS 4 CO 0.37 -0.93 -0.04 0.08 -0.76 0.00 0.00 175.35 174.07 1k3t s VAL 5 N 2.83 3.80 0.03 3.17 1.01 -0.06 -0.87 120.40 130.30 1k3t s VAL 5 Ca 0.24 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.38 1k3t s VAL 5 Cb -0.14 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 1k3t s VAL 5 CO 0.18 0.25 -0.20 -0.83 0.00 0.00 0.00 175.10 174.50 1k3t s GLY 6 N -1.87 1.05 -0.23 4.51 0.00 0.05 -2.01 107.32 108.82 1k3t s GLY 6 Ca 0.21 -0.98 -0.01 0.00 0.00 0.00 0.00 44.72 43.93 1k3t s GLY 6 CO 0.13 -0.89 -0.09 -0.42 0.00 0.00 0.00 173.10 171.83 1k3t s ILE 7 N -0.72 2.81 -0.33 0.90 1.01 0.30 -0.76 121.20 124.42 1k3t s ILE 7 Ca 0.07 -0.91 -0.20 0.00 0.00 0.00 0.00 60.65 59.61 1k3t s ILE 7 Cb -0.08 -2.35 -0.01 0.00 0.01 0.00 0.00 42.46 40.03 1k3t s ILE 7 CO 0.01 0.31 0.61 0.21 0.00 0.00 0.00 174.94 176.08 1k3t s ASN 8 N 1.35 6.44 0.00 3.58 3.04 -0.13 0.14 114.94 129.36 1k3t s ASN 8 Ca 0.02 0.27 0.00 0.00 0.04 0.00 0.00 52.86 53.19 1k3t s ASN 8 Cb -0.15 -2.32 0.00 0.00 -1.54 0.00 0.00 41.25 37.24 1k3t s ASN 8 CO -0.06 -0.51 0.00 0.61 -3.04 0.00 0.00 177.10 174.10 1k3t n GLY 9 N 4.57 0.37 2.17 1.21 0.00 0.26 -0.39 105.19 113.38 1k3t n GLY 9 Ca -0.02 -0.98 -0.24 0.00 0.00 0.00 0.00 46.02 44.77 1k3t n GLY 9 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1k3t n PHE 10 N 2.60 2.90 -1.42 1.61 7.35 -1.21 -4.18 117.46 125.11 1k3t n PHE 10 Ca 0.00 -2.48 0.00 0.00 -0.76 0.00 0.00 57.45 54.21 1k3t n PHE 10 Cb 0.00 -0.26 0.00 0.00 0.35 0.00 0.00 39.48 39.57 1k3t n PHE 10 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1k3t n GLY 11 N -0.64 0.14 0.28 7.13 0.00 -1.26 -4.66 105.19 106.18 1k3t n GLY 11 Ca 0.42 -1.83 -0.07 0.00 0.00 0.00 0.00 46.02 44.54 1k3t n GLY 11 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1k3t h ARG 12 N 0.00 -0.19 -0.29 1.61 2.43 -1.95 -1.07 114.38 114.91 1k3t h ARG 12 Ca 0.00 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 1k3t h ARG 12 Cb 0.00 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1k3t h ARG 12 CO 0.00 -0.13 -0.29 0.82 -1.51 0.00 0.00 179.97 178.86 1k3t h ILE 13 N -0.20 1.28 -0.66 1.20 1.08 -1.93 -2.44 117.51 115.83 1k3t h ILE 13 Ca 0.17 -1.39 -0.04 0.00 -0.39 0.00 0.00 64.86 63.21 1k3t h ILE 13 Cb 0.46 1.37 -0.03 0.00 -3.07 0.00 0.00 36.82 35.55 1k3t h ILE 13 CO -0.45 0.45 0.27 1.23 -0.69 0.00 0.00 178.15 178.96 1k3t h GLY 14 N 1.01 1.06 0.97 5.37 0.00 -1.65 -1.75 103.07 108.09 1k3t h GLY 14 Ca 0.07 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 1k3t h GLY 14 CO 0.06 0.54 0.16 3.21 0.00 0.00 0.00 176.54 180.51 1k3t h ARG 15 N 0.93 0.35 -0.63 4.80 3.08 -1.09 -2.07 114.38 119.76 1k3t h ARG 15 Ca 0.22 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 1k3t h ARG 15 Cb 0.20 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 1k3t h ARG 15 CO -0.02 0.28 0.34 1.98 -1.07 0.00 0.00 179.97 181.48 1k3t h MET 16 N 0.33 0.86 -0.10 0.04 4.05 -1.30 0.46 114.93 119.28 1k3t h MET 16 Ca 0.09 -0.09 0.01 0.00 -0.28 0.00 0.00 59.70 59.43 1k3t h MET 16 Cb 0.02 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.63 1k3t h MET 16 CO -0.02 0.64 0.03 0.28 0.23 0.00 0.00 176.91 178.07 1k3t h VAL 17 N 0.87 0.98 -0.36 -5.77 2.07 -1.08 0.30 116.25 113.26 1k3t h VAL 17 Ca 0.22 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.72 1k3t h VAL 17 Cb 0.03 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1k3t h VAL 17 CO -0.04 0.01 0.22 0.15 0.02 0.00 0.00 177.57 177.94 1k3t h PHE 18 N 0.08 0.42 -0.54 1.57 3.04 -0.75 -1.96 116.94 118.80 1k3t h PHE 18 Ca 0.04 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.99 1k3t h PHE 18 Cb 0.02 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.37 1k3t h PHE 18 CO -0.10 0.26 0.29 1.96 -2.02 0.00 0.00 178.31 178.70 1k3t h GLN 19 N 0.46 0.76 -0.88 1.11 4.20 0.31 -1.72 115.11 119.35 1k3t h GLN 19 Ca 0.14 -0.09 0.13 0.00 0.06 0.00 0.00 58.65 58.88 1k3t h GLN 19 Cb -0.02 -0.15 -0.09 0.00 0.30 0.00 0.00 27.48 27.52 1k3t h GLN 19 CO -0.05 0.60 0.50 0.00 -0.67 0.00 0.00 178.83 179.21 1k3t h ALA 20 N 1.12 1.32 -0.34 3.87 0.00 0.02 -1.68 119.26 123.57 1k3t h ALA 20 Ca 0.19 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1k3t h ALA 20 Cb 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1k3t h ALA 20 CO -0.03 0.03 -0.06 1.25 0.00 0.00 0.00 179.25 180.44 1k3t h LEU 21 N 0.76 0.64 -0.44 0.00 5.85 -0.97 -2.79 115.31 118.36 1k3t h LEU 21 Ca 0.46 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1k3t h LEU 21 Cb 0.55 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1k3t h LEU 21 CO -0.31 0.84 0.19 0.00 -0.34 0.00 0.00 178.44 178.82 1k3t h GLU 23 N 0.56 0.68 0.00 0.00 4.81 -1.30 -1.11 114.58 118.22 1k3t h GLU 23 Ca 0.15 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1k3t h GLU 23 Cb 0.16 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1k3t h GLU 23 CO -0.02 0.45 0.00 -0.25 -0.73 0.00 0.00 179.01 178.46 1k3t n ASP 24 N -4.79 0.00 -2.33 1.04 8.00 -1.06 -4.86 116.55 112.56 1k3t n ASP 24 Ca 0.11 -1.27 -0.18 0.00 0.71 0.00 0.00 54.79 54.16 1k3t n ASP 24 Cb 0.23 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.35 1k3t n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k3t n GLY 25 N 0.48 -0.31 0.09 0.44 0.00 -0.42 -4.91 105.19 100.57 1k3t n GLY 25 Ca 0.09 -0.08 0.05 0.00 0.00 0.00 0.00 46.02 46.08 1k3t n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k3t n LEU 26 N -3.06 0.74 -4.67 0.99 4.77 -0.45 -4.77 117.00 110.55 1k3t n LEU 26 Ca -0.12 0.31 -0.42 0.00 -0.03 0.00 0.00 56.01 55.74 1k3t n LEU 26 Cb 0.61 0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.71 1k3t n LEU 26 CO 0.34 0.02 1.48 -0.22 -1.33 0.00 0.00 177.39 177.68 1k3t s LEU 27 N -5.48 4.39 0.00 2.23 2.96 -1.23 -1.63 118.68 119.91 1k3t s LEU 27 Ca -0.03 2.51 0.00 0.00 -0.22 0.00 0.00 54.13 56.39 1k3t s LEU 27 Cb 0.09 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.25 1k3t s LEU 27 CO 0.81 -0.99 0.00 0.61 -1.32 0.00 0.00 176.35 175.47 1k3t n GLY 28 N 4.31 0.88 0.00 7.98 0.00 0.21 -4.87 105.19 113.70 1k3t n GLY 28 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1k3t n GLY 28 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k3t n THR 29 N -2.12 0.00 0.08 2.61 -2.24 -0.81 -4.88 114.28 106.92 1k3t n THR 29 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1k3t n THR 29 Cb 0.00 -0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 67.84 1k3t n THR 29 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1k3t h GLU 30 N 0.00 0.27 -4.61 -0.78 5.08 -1.77 -3.34 114.58 109.43 1k3t h GLU 30 Ca 0.00 -0.30 -0.52 0.00 -1.00 0.00 0.00 59.36 57.55 1k3t h GLU 30 Cb 0.00 0.08 -0.33 0.00 0.50 0.00 0.00 28.75 29.00 1k3t h GLU 30 CO 0.00 1.01 -0.82 0.42 -1.00 0.00 0.00 179.01 178.62 1k3t s ILE 31 N -3.22 1.15 -0.42 3.13 1.01 -0.65 -1.39 121.20 120.81 1k3t s ILE 31 Ca -0.04 -0.50 -0.14 0.00 0.00 0.00 0.00 60.65 59.98 1k3t s ILE 31 Cb 0.10 -1.05 0.04 0.00 0.01 0.00 0.00 42.46 41.56 1k3t s ILE 31 CO 0.84 0.36 0.31 -1.81 0.00 0.00 0.00 174.94 174.64 1k3t s ASP 32 N 0.60 6.01 -0.65 3.58 -0.00 0.61 -0.62 116.67 126.21 1k3t s ASP 32 Ca -0.14 -1.11 -0.28 0.00 -0.00 0.00 0.00 52.55 51.03 1k3t s ASP 32 Cb -0.15 -2.13 0.03 0.00 -0.00 0.00 0.00 42.92 40.67 1k3t s ASP 32 CO 0.04 -0.51 1.23 -0.69 -0.00 0.00 0.00 175.17 175.23 1k3t s VAL 33 N 1.62 3.90 0.01 -1.27 1.01 -1.26 -0.88 120.40 123.52 1k3t s VAL 33 Ca 0.04 0.68 -0.15 0.00 0.00 0.00 0.00 61.98 62.54 1k3t s VAL 33 Cb -0.21 -4.81 -0.35 0.00 0.00 0.00 0.00 36.38 31.02 1k3t s VAL 33 CO 0.08 -1.56 0.92 0.58 0.00 0.00 0.00 175.10 175.11 1k3t h VAL 34 N 6.10 1.22 -2.29 2.92 2.07 -1.69 -3.41 116.25 121.17 1k3t h VAL 34 Ca -0.26 -2.65 -0.05 0.00 0.82 0.00 0.00 66.70 64.56 1k3t h VAL 34 Cb 1.05 3.00 -0.17 0.00 -1.52 0.00 0.00 31.29 33.65 1k3t h VAL 34 CO 1.23 0.81 0.18 0.00 0.02 0.00 0.00 177.57 179.81 1k3t s ALA 35 N -2.58 -1.70 -0.07 1.67 0.00 -1.25 -1.22 121.76 116.61 1k3t s ALA 35 Ca -0.11 1.07 0.04 0.00 0.00 0.00 0.00 51.96 52.97 1k3t s ALA 35 Cb 0.04 0.24 -0.00 0.00 0.00 0.00 0.00 23.12 23.40 1k3t s ALA 35 CO 0.92 -0.48 -0.20 0.14 0.00 0.00 0.00 175.76 176.14 1k3t s VAL 36 N -1.89 1.71 -0.02 0.00 -7.23 -0.53 -0.54 120.40 111.90 1k3t s VAL 36 Ca -0.08 -0.85 0.06 0.00 -1.81 0.00 0.00 61.98 59.30 1k3t s VAL 36 Cb -0.00 -1.48 -0.02 0.00 0.56 0.00 0.00 36.38 35.43 1k3t s VAL 36 CO 0.04 0.48 -0.19 0.68 -0.31 0.00 0.00 175.10 175.79 1k3t s VAL 37 N 0.19 2.62 0.21 1.32 -7.23 0.38 -1.28 120.40 116.62 1k3t s VAL 37 Ca -0.10 -0.95 -0.23 0.00 -1.81 0.00 0.00 61.98 58.89 1k3t s VAL 37 Cb -0.15 -2.00 0.05 0.00 0.56 0.00 0.00 36.38 34.84 1k3t s VAL 37 CO 0.05 0.55 0.75 -0.62 -0.31 0.00 0.00 175.10 175.52 1k3t s ASP 38 N -0.79 -0.32 0.19 4.85 -1.08 -0.81 0.92 116.67 119.63 1k3t s ASP 38 Ca 0.11 -0.39 -0.06 0.00 -0.52 0.00 0.00 52.55 51.69 1k3t s ASP 38 Cb -0.10 0.63 0.12 0.00 -1.46 0.00 0.00 42.92 42.11 1k3t s ASP 38 CO 0.01 -1.13 1.60 0.24 0.52 0.00 0.00 175.17 176.41 1k3t h MET 39 N 2.00 0.86 -6.88 4.34 2.86 -1.92 0.18 114.93 116.38 1k3t h MET 39 Ca -0.24 -0.35 -0.47 0.00 -2.06 0.00 0.00 59.70 56.58 1k3t h MET 39 Cb 1.26 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.86 1k3t h MET 39 CO 0.27 0.99 0.21 0.54 1.06 0.00 0.00 176.91 179.99 1k3t s ASN 40 N -6.74 6.87 -0.00 1.22 2.20 -1.26 -4.70 114.94 112.53 1k3t s ASN 40 Ca -0.10 1.48 0.04 0.00 -0.94 0.00 0.00 52.86 53.34 1k3t s ASN 40 Cb 0.13 -2.46 -0.04 0.00 -2.00 0.00 0.00 41.25 36.88 1k3t s ASN 40 CO 0.85 -0.27 0.15 0.35 -2.94 0.00 0.00 177.10 175.24 1k3t n THR 41 N -0.45 0.00 -1.88 0.54 -2.24 -1.26 -4.80 114.28 104.19 1k3t n THR 41 Ca 0.05 -0.38 -0.30 0.00 -2.27 0.00 0.00 64.05 61.15 1k3t n THR 41 Cb 0.53 0.93 -0.04 0.00 -2.10 0.00 0.00 70.33 69.65 1k3t n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1k3t s ASP 42 N -1.47 4.86 0.25 3.42 -1.08 -1.26 -4.71 116.67 116.68 1k3t s ASP 42 Ca 0.01 0.10 -0.06 0.00 -0.52 0.00 0.00 52.55 52.09 1k3t s ASP 42 Cb 0.03 -2.54 0.28 0.00 -1.46 0.00 0.00 42.92 39.23 1k3t s ASP 42 CO 0.15 -2.82 1.91 0.00 0.52 0.00 0.00 175.17 174.93 1k3t h ALA 43 N 14.28 1.27 -0.48 3.66 0.00 -1.90 -1.60 119.26 134.47 1k3t h ALA 43 Ca -0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1k3t h ALA 43 Cb 1.11 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1k3t h ALA 43 CO 1.17 0.65 0.23 0.93 0.00 0.00 0.00 179.25 182.23 1k3t h GLU 44 N 1.29 0.67 -0.03 0.00 3.07 -1.89 0.15 114.58 117.84 1k3t h GLU 44 Ca 0.34 -0.08 -0.00 0.00 -0.50 0.00 0.00 59.36 59.12 1k3t h GLU 44 Cb -0.09 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 27.68 1k3t h GLU 44 CO -0.07 0.52 0.01 -0.92 -1.40 0.00 0.00 179.01 177.16 1k3t h TYR 45 N 0.67 0.05 -0.82 4.33 3.20 -1.72 -1.05 116.97 121.64 1k3t h TYR 45 Ca 0.17 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.16 1k3t h TYR 45 Cb 0.07 -0.02 -0.09 0.00 1.54 0.00 0.00 36.73 38.24 1k3t h TYR 45 CO 0.01 0.22 0.42 0.74 -1.64 0.00 0.00 178.16 177.91 1k3t h PHE 46 N -0.13 0.75 -0.63 -3.82 0.05 -0.86 -0.34 116.94 111.96 1k3t h PHE 46 Ca 0.01 0.03 -0.08 0.00 3.82 0.00 0.00 57.97 61.75 1k3t h PHE 46 Cb 0.19 -0.21 -0.02 0.00 2.00 0.00 0.00 35.95 37.91 1k3t h PHE 46 CO -0.01 0.22 0.06 0.00 -0.18 0.00 0.00 178.31 178.40 1k3t h ALA 47 N 1.52 0.93 -0.06 2.45 0.00 -0.56 0.25 119.26 123.78 1k3t h ALA 47 Ca 0.43 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1k3t h ALA 47 Cb 0.55 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1k3t h ALA 47 CO -0.33 0.65 0.03 -0.92 0.00 0.00 0.00 179.25 178.69 1k3t h TYR 48 N 0.98 0.08 -0.74 0.00 3.20 -0.28 0.22 116.97 120.43 1k3t h TYR 48 Ca 0.19 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 1k3t h TYR 48 Cb 0.47 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 1k3t h TYR 48 CO 0.03 0.12 0.42 1.96 -1.64 0.00 0.00 178.16 179.06 1k3t h GLN 49 N 0.02 1.01 -0.13 1.82 4.20 -0.61 -2.41 115.11 119.00 1k3t h GLN 49 Ca 0.02 -0.10 -0.19 0.00 0.06 0.00 0.00 58.65 58.45 1k3t h GLN 49 Cb 0.06 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.64 1k3t h GLN 49 CO -0.00 0.72 -0.69 0.52 -0.67 0.00 0.00 178.83 178.71 1k3t h MET 50 N 1.02 0.56 -0.19 1.46 2.86 -0.08 -3.34 114.93 117.22 1k3t h MET 50 Ca 0.26 -0.42 -0.02 0.00 -2.06 0.00 0.00 59.70 57.46 1k3t h MET 50 Cb -0.01 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1k3t h MET 50 CO -0.05 1.05 0.04 0.00 1.06 0.00 0.00 176.91 179.01 1k3t h ARG 51 N 0.39 0.30 -5.32 1.72 3.08 -0.60 -3.38 114.38 110.57 1k3t h ARG 51 Ca -0.02 -0.08 -0.65 0.00 0.07 0.00 0.00 59.98 59.30 1k3t h ARG 51 Cb 1.27 -0.04 -0.24 0.00 0.08 0.00 0.00 29.97 31.04 1k3t h ARG 51 CO 0.13 0.44 -0.71 0.71 -1.07 0.00 0.00 179.97 179.47 1k3t s TYR 52 N -5.26 2.92 -0.09 3.04 2.02 -0.94 -0.17 117.35 118.87 1k3t s TYR 52 Ca -0.14 -0.46 -0.01 0.00 -0.37 0.00 0.00 57.07 56.10 1k3t s TYR 52 Cb 0.07 -1.90 0.03 0.00 -0.40 0.00 0.00 41.96 39.75 1k3t s TYR 52 CO 0.72 -0.11 -0.05 0.34 -1.57 0.00 0.00 175.55 174.88 1k3t s ASP 53 N 0.33 1.88 0.48 2.29 -1.08 -1.04 -4.77 116.67 114.77 1k3t s ASP 53 Ca -0.07 -0.21 0.18 0.00 -0.52 0.00 0.00 52.55 51.93 1k3t s ASP 53 Cb -0.15 -0.67 1.18 0.00 -1.46 0.00 0.00 42.92 41.82 1k3t s ASP 53 CO 0.04 -0.14 2.04 0.71 0.52 0.00 0.00 175.17 178.35 1k3t h THR 54 N 6.23 0.97 0.04 1.71 1.35 -1.98 -2.26 112.91 118.96 1k3t h THR 54 Ca -0.26 -0.49 -0.38 0.00 -0.55 0.00 0.00 66.41 64.72 1k3t h THR 54 Cb 1.13 1.28 -0.05 0.00 -1.73 0.00 0.00 68.15 68.77 1k3t h THR 54 CO 0.35 0.14 -2.32 0.55 -0.25 0.00 0.00 175.52 173.99 1k3t n VAL 55 N -4.18 1.58 1.49 6.82 3.14 -1.26 -4.53 118.33 121.39 1k3t n VAL 55 Ca -0.02 -0.58 0.14 0.00 -2.96 0.00 0.00 64.34 60.91 1k3t n VAL 55 Cb 0.21 -1.54 0.52 0.00 -1.06 0.00 0.00 33.84 31.97 1k3t n VAL 55 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1k3t n HIS 56 N -3.37 0.00 -3.38 1.45 8.25 -1.24 -4.99 115.22 111.93 1k3t n HIS 56 Ca -0.42 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.04 1k3t n HIS 56 Cb 1.00 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.11 1k3t n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1k3t n GLY 57 N 1.18 -1.85 3.74 -1.41 0.00 -0.85 -4.91 105.19 101.08 1k3t n GLY 57 Ca 0.19 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 1k3t n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k3t s LYS 58 N 0.00 4.69 0.24 1.61 1.02 -1.26 -2.50 119.74 123.54 1k3t s LYS 58 Ca 0.00 1.56 -0.30 0.00 0.02 0.00 0.00 55.97 57.24 1k3t s LYS 58 Cb 0.00 -3.32 -0.10 0.00 -0.52 0.00 0.00 37.83 33.89 1k3t s LYS 58 CO 0.00 0.23 1.50 0.12 -0.92 0.00 0.00 175.35 176.27 1k3t s PHE 59 N -0.33 2.98 -1.58 3.18 5.36 0.76 -4.90 117.98 123.46 1k3t s PHE 59 Ca 0.47 0.89 0.28 0.00 -0.96 0.00 0.00 56.93 57.61 1k3t s PHE 59 Cb -0.26 -3.89 1.07 0.00 -0.34 0.00 0.00 43.02 39.60 1k3t s PHE 59 CO 0.32 -3.00 1.77 1.63 -1.46 0.00 0.00 175.22 174.48 1k3t n LYS 60 N 2.66 0.62 -3.98 10.12 5.02 -1.26 -4.83 118.16 126.52 1k3t n LYS 60 Ca 0.09 -0.26 -0.21 0.00 -2.02 0.00 0.00 58.31 55.91 1k3t n LYS 60 Cb 0.39 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.89 1k3t n LYS 60 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1k3t s TYR 61 N -2.55 3.39 0.05 2.13 1.51 -1.26 -5.09 117.35 115.52 1k3t s TYR 61 Ca 0.26 -0.04 -0.29 0.00 -1.01 0.00 0.00 57.07 55.99 1k3t s TYR 61 Cb 0.20 -1.56 -0.05 0.00 -0.11 0.00 0.00 41.96 40.44 1k3t s TYR 61 CO 0.51 0.44 0.92 -2.00 -1.11 0.00 0.00 175.55 174.30 1k3t s GLU 62 N -3.96 4.60 -0.16 -0.62 2.12 -1.26 -5.02 118.70 114.40 1k3t s GLU 62 Ca 0.34 1.34 0.01 0.00 0.36 0.00 0.00 54.97 57.02 1k3t s GLU 62 Cb -0.09 -3.41 0.00 0.00 0.26 0.00 0.00 34.13 30.90 1k3t s GLU 62 CO 0.28 0.12 -0.17 0.08 -0.54 0.00 0.00 175.26 175.03 1k3t s VAL 63 N 0.42 2.45 0.49 3.70 1.01 -1.26 -3.78 120.40 123.43 1k3t s VAL 63 Ca 0.47 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1k3t s VAL 63 Cb -0.22 -2.03 -0.00 0.00 0.00 0.00 0.00 36.38 34.13 1k3t s VAL 63 CO 0.27 0.52 0.03 0.35 0.00 0.00 0.00 175.10 176.27 1k3t n THR 64 N 4.23 0.00 -4.33 3.92 -2.24 -0.20 -4.98 114.28 110.69 1k3t n THR 64 Ca -0.20 -2.40 -0.19 0.00 -2.27 0.00 0.00 64.05 58.99 1k3t n THR 64 Cb 0.51 0.56 -0.10 0.00 -2.10 0.00 0.00 70.33 69.20 1k3t n THR 64 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1k3t s THR 65 N -2.89 1.69 0.37 4.28 -4.23 -1.26 -1.16 115.64 112.44 1k3t s THR 65 Ca 0.04 -2.06 -0.04 0.00 -1.18 0.00 0.00 61.69 58.46 1k3t s THR 65 Cb 0.00 -1.91 0.02 0.00 1.34 0.00 0.00 72.50 71.95 1k3t s THR 65 CO 0.03 -0.49 0.54 0.35 -0.54 0.00 0.00 174.62 174.51 1k3t n THR 66 N -0.06 0.00 -4.48 3.99 -2.24 0.93 -4.92 114.28 107.51 1k3t n THR 66 Ca -0.10 -1.71 -0.34 0.00 -2.27 0.00 0.00 64.05 59.62 1k3t n THR 66 Cb 0.59 1.11 -0.10 0.00 -2.10 0.00 0.00 70.33 69.82 1k3t n THR 66 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1k3t s LYS 67 N -2.71 2.90 0.11 -0.78 1.02 -1.26 -1.45 119.74 117.58 1k3t s LYS 67 Ca 0.28 -0.47 -0.16 0.00 0.02 0.00 0.00 55.97 55.64 1k3t s LYS 67 Cb -0.02 -2.71 -0.04 0.00 -0.52 0.00 0.00 37.83 34.54 1k3t s LYS 67 CO 0.20 0.67 1.56 0.66 -0.92 0.00 0.00 175.35 177.53 1k3t h SER 68 N 5.24 0.61 -4.68 2.83 4.64 -1.93 -3.45 113.55 116.81 1k3t h SER 68 Ca -0.49 -0.30 -0.25 0.00 -0.47 0.00 0.00 61.79 60.27 1k3t h SER 68 Cb 1.18 -0.16 -0.22 0.00 -0.31 0.00 0.00 62.40 62.89 1k3t h SER 68 CO 0.54 0.76 -0.73 -0.55 -0.87 0.00 0.00 176.83 175.98 1k3t s SER 69 N -6.11 0.64 0.46 4.97 0.15 -1.26 -5.06 113.70 107.50 1k3t s SER 69 Ca -0.13 -0.46 0.18 0.00 0.70 0.00 0.00 55.95 56.23 1k3t s SER 69 Cb 0.09 0.04 1.14 0.00 -1.71 0.00 0.00 66.02 65.58 1k3t s SER 69 CO 0.78 -0.19 1.96 -0.65 1.20 0.00 0.00 173.24 176.33 1k3t h PRO 70 N 4.77 0.29 -0.01 5.44 0.11 -2.01 -2.73 132.00 137.87 1k3t h PRO 70 Ca -0.34 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1k3t h PRO 70 Cb 1.20 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1k3t h PRO 70 CO 0.42 0.19 -0.01 1.03 -0.21 0.00 0.00 178.00 179.43 1k3t h SER 71 N 0.30 -0.03 -0.60 -2.05 0.87 -2.00 -3.43 113.55 106.61 1k3t h SER 71 Ca 0.31 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 60.37 1k3t h SER 71 Cb 0.82 0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.80 1k3t h SER 71 CO -0.08 -0.01 0.29 0.52 -0.53 0.00 0.00 176.83 177.02 1k3t n VAL 72 N -2.82 0.00 0.00 2.23 0.31 -1.03 -4.94 118.33 112.08 1k3t n VAL 72 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1k3t n VAL 72 Cb 0.00 -0.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.74 1k3t n VAL 72 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1k3t n ALA 73 N 1.89 0.00 -1.45 3.52 0.00 -1.26 -4.80 120.51 118.42 1k3t n ALA 73 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.30 1k3t n ALA 73 Cb -0.01 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.52 1k3t n ALA 73 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1k3t s LYS 74 N -0.13 2.38 0.29 0.00 2.20 -1.26 -4.95 119.74 118.27 1k3t s LYS 74 Ca 0.00 0.92 -0.30 0.00 -0.36 0.00 0.00 55.97 56.23 1k3t s LYS 74 Cb 0.00 -1.93 -0.12 0.00 -1.51 0.00 0.00 37.83 34.27 1k3t s LYS 74 CO 0.00 -1.48 1.55 -0.25 -0.36 0.00 0.00 175.35 174.81 1k3t n ASP 75 N -3.38 3.64 -0.06 1.43 9.92 -1.26 -4.89 116.55 121.95 1k3t n ASP 75 Ca 0.08 1.15 0.03 0.00 -0.53 0.00 0.00 54.79 55.52 1k3t n ASP 75 Cb 0.54 -1.56 0.05 0.00 -0.64 0.00 0.00 41.12 39.50 1k3t n ASP 75 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1k3t n ASP 76 N 2.01 1.77 -3.87 -2.24 5.68 -0.56 -3.07 116.55 116.27 1k3t n ASP 76 Ca 0.08 -2.25 -0.22 0.00 -0.50 0.00 0.00 54.79 51.91 1k3t n ASP 76 Cb 0.36 -0.15 -0.17 0.00 -1.14 0.00 0.00 41.12 40.02 1k3t n ASP 76 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1k3t s THR 77 N -1.44 0.57 -0.07 2.12 2.01 -0.53 -0.74 115.64 117.57 1k3t s THR 77 Ca 0.10 -0.09 -0.12 0.00 0.31 0.00 0.00 61.69 61.89 1k3t s THR 77 Cb 0.09 -0.63 -0.05 0.00 0.01 0.00 0.00 72.50 71.93 1k3t s THR 77 CO 0.01 0.25 0.30 -0.76 -0.69 0.00 0.00 174.62 173.73 1k3t s LEU 78 N 1.26 4.40 -0.22 4.42 1.02 0.63 -0.05 118.68 130.15 1k3t s LEU 78 Ca -0.05 0.71 0.01 0.00 0.02 0.00 0.00 54.13 54.81 1k3t s LEU 78 Cb -0.14 -2.37 0.05 0.00 0.02 0.00 0.00 46.19 43.75 1k3t s LEU 78 CO -0.02 0.31 -0.07 -0.69 0.02 0.00 0.00 176.35 175.90 1k3t s VAL 79 N -0.74 1.53 -0.32 -1.59 1.01 -0.31 0.66 120.40 120.64 1k3t s VAL 79 Ca 0.19 -1.10 0.03 0.00 0.00 0.00 0.00 61.98 61.10 1k3t s VAL 79 Cb -0.14 -1.73 0.09 0.00 0.00 0.00 0.00 36.38 34.60 1k3t s VAL 79 CO 0.08 0.00 0.01 -0.69 0.00 0.00 0.00 175.10 174.51 1k3t s VAL 80 N 1.42 2.35 -1.32 2.92 1.01 0.63 -1.03 120.40 126.38 1k3t s VAL 80 Ca -0.04 -2.08 -0.00 0.00 0.00 0.00 0.00 61.98 59.86 1k3t s VAL 80 Cb -0.18 -2.62 -0.00 0.00 0.00 0.00 0.00 36.38 33.59 1k3t s VAL 80 CO -0.07 -0.42 0.65 0.59 0.00 0.00 0.00 175.10 175.85 1k3t n ASN 81 N 4.34 -1.06 0.00 3.32 3.02 -1.25 -1.37 115.26 122.27 1k3t n ASN 81 Ca -0.02 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 1k3t n ASN 81 Cb 0.42 -3.89 0.00 0.00 -0.61 0.00 0.00 39.78 35.70 1k3t n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k3t n GLY 82 N -1.64 3.00 3.65 7.41 0.00 -1.26 -5.00 105.19 111.35 1k3t n GLY 82 Ca -0.30 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 1k3t n GLY 82 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1k3t s HIS 83 N -2.86 3.34 -0.20 1.61 5.04 -0.47 -5.03 115.29 116.71 1k3t s HIS 83 Ca 0.00 1.05 -0.16 0.00 -1.54 0.00 0.00 55.06 54.41 1k3t s HIS 83 Cb 0.00 -2.95 -0.04 0.00 0.04 0.00 0.00 32.58 29.63 1k3t s HIS 83 CO 0.00 -0.31 0.39 1.03 -2.34 0.00 0.00 174.74 173.51 1k3t s ARG 84 N 2.46 4.18 -0.13 2.88 0.52 -1.26 -0.27 118.95 127.33 1k3t s ARG 84 Ca 0.32 0.19 -0.01 0.00 -0.52 0.00 0.00 55.73 55.71 1k3t s ARG 84 Cb -0.16 -3.53 0.04 0.00 0.52 0.00 0.00 34.95 31.82 1k3t s ARG 84 CO 0.09 -0.02 -0.01 0.42 0.02 0.00 0.00 175.30 175.80 1k3t s ILE 85 N 1.24 0.66 0.17 1.52 1.01 0.21 -4.73 121.20 121.28 1k3t s ILE 85 Ca 0.19 -0.27 -0.30 0.00 0.00 0.00 0.00 60.65 60.27 1k3t s ILE 85 Cb -0.15 -0.89 -0.07 0.00 0.01 0.00 0.00 42.46 41.36 1k3t s ILE 85 CO 0.08 0.13 1.10 -0.22 0.00 0.00 0.00 174.94 176.03 1k3t s LEU 86 N 1.83 4.48 -0.39 2.97 2.96 -0.36 -0.27 118.68 129.91 1k3t s LEU 86 Ca 0.03 2.07 -0.16 0.00 -0.22 0.00 0.00 54.13 55.85 1k3t s LEU 86 Cb -0.14 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 42.96 1k3t s LEU 86 CO -0.07 -0.23 0.36 0.00 -1.32 0.00 0.00 176.35 175.10 1k3t s VAL 88 N 1.95 3.82 0.10 0.00 -7.23 -0.40 -4.87 120.40 113.77 1k3t s VAL 88 Ca 0.10 -0.96 -0.30 0.00 -1.81 0.00 0.00 61.98 59.00 1k3t s VAL 88 Cb -0.17 -2.77 -0.06 0.00 0.56 0.00 0.00 36.38 33.93 1k3t s VAL 88 CO 0.12 0.20 1.17 -0.75 -0.31 0.00 0.00 175.10 175.53 1k3t s LYS 89 N -2.02 4.48 0.92 4.82 2.36 -1.26 -1.92 119.74 127.12 1k3t s LYS 89 Ca 0.22 1.75 -0.10 0.00 -2.55 0.00 0.00 55.97 55.30 1k3t s LYS 89 Cb -0.11 -3.32 0.14 0.00 -1.05 0.00 0.00 37.83 33.48 1k3t s LYS 89 CO 0.14 -0.15 1.08 0.00 1.55 0.00 0.00 175.35 177.98 1k3t n ALA 90 N 3.38 -0.99 -2.55 3.13 0.00 0.64 -4.72 120.51 119.40 1k3t n ALA 90 Ca 0.07 -0.57 -0.23 0.00 0.00 0.00 0.00 53.44 52.71 1k3t n ALA 90 Cb 0.46 -2.16 -0.15 0.00 0.00 0.00 0.00 19.45 17.60 1k3t n ALA 90 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1k3t s GLN 91 N -4.55 1.21 0.31 0.00 -1.52 -1.26 -4.94 119.66 108.91 1k3t s GLN 91 Ca 0.66 -0.58 0.03 0.00 -1.95 0.00 0.00 55.36 53.52 1k3t s GLN 91 Cb -0.23 -1.18 0.52 0.00 -0.22 0.00 0.00 33.01 31.90 1k3t s GLN 91 CO 0.59 0.32 1.83 -0.09 -0.25 0.00 0.00 175.29 177.69 1k3t h ARG 92 N 5.64 0.59 -4.82 2.91 2.43 -2.01 -3.38 114.38 115.75 1k3t h ARG 92 Ca -0.36 -0.14 -0.67 0.00 -0.81 0.00 0.00 59.98 58.00 1k3t h ARG 92 Cb 1.16 -0.08 -0.25 0.00 -0.42 0.00 0.00 29.97 30.38 1k3t h ARG 92 CO 0.48 0.63 -0.61 1.21 -1.51 0.00 0.00 179.97 180.17 1k3t s ASN 93 N -6.72 5.22 0.55 -3.80 2.47 -1.26 -4.97 114.94 106.43 1k3t s ASN 93 Ca -0.08 -0.60 0.24 0.00 0.42 0.00 0.00 52.86 52.84 1k3t s ASN 93 Cb 0.15 -1.91 1.45 0.00 -1.45 0.00 0.00 41.25 39.48 1k3t s ASN 93 CO 0.78 -0.17 2.08 1.55 -3.72 0.00 0.00 177.10 177.62 1k3t h PRO 94 N 8.26 0.00 0.00 0.43 0.13 -1.88 0.98 132.00 139.92 1k3t h PRO 94 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1k3t h PRO 94 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1k3t h PRO 94 CO 0.60 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.37 1k3t n ALA 95 N -2.51 1.11 0.67 -0.56 0.00 -1.09 -1.57 120.51 116.56 1k3t n ALA 95 Ca 0.03 0.17 0.11 0.00 0.00 0.00 0.00 53.44 53.75 1k3t n ALA 95 Cb 0.35 -1.29 0.26 0.00 0.00 0.00 0.00 19.45 18.77 1k3t n ALA 95 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1k3t n ASP 96 N -2.17 2.81 -4.77 0.00 8.00 0.34 -3.83 116.55 116.92 1k3t n ASP 96 Ca -0.01 -1.90 -0.37 0.00 0.71 0.00 0.00 54.79 53.22 1k3t n ASP 96 Cb 0.05 -0.19 -0.02 0.00 -0.02 0.00 0.00 41.12 40.95 1k3t n ASP 96 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1k3t s LEU 97 N -1.54 4.07 -0.48 0.64 1.02 -0.61 -4.91 118.68 116.88 1k3t s LEU 97 Ca 0.36 2.26 -0.02 0.00 0.02 0.00 0.00 54.13 56.74 1k3t s LEU 97 Cb 0.21 -4.19 0.22 0.00 0.02 0.00 0.00 46.19 42.45 1k3t s LEU 97 CO 0.30 -0.78 2.27 -0.81 0.02 0.00 0.00 176.35 177.35 1k3t n PRO 98 N -0.30 2.26 0.08 1.29 -0.04 -1.26 -4.62 135.00 132.41 1k3t n PRO 98 Ca 0.06 -2.34 -0.12 0.00 -0.04 0.00 0.00 63.50 61.06 1k3t n PRO 98 Cb 0.48 -1.98 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 1k3t n PRO 98 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1k3t h TRP 99 N 2.23 -0.18 -0.75 0.54 -0.00 -1.90 0.99 115.95 116.87 1k3t h TRP 99 Ca 0.41 0.00 -0.03 0.00 -0.00 0.00 0.00 58.89 59.27 1k3t h TRP 99 Cb 0.74 0.07 -0.04 0.00 -0.00 0.00 0.00 29.16 29.94 1k3t h TRP 99 CO 1.18 -0.11 0.36 0.78 -0.00 0.00 0.00 178.44 180.64 1k3t h GLY 100 N -0.16 1.15 2.00 1.49 0.00 -1.56 0.17 103.07 106.17 1k3t h GLY 100 Ca 0.01 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 46.74 1k3t h GLY 100 CO -0.03 0.54 -0.15 0.50 0.00 0.00 0.00 176.54 177.40 1k3t h LYS 101 N 1.07 0.00 -0.02 4.80 1.57 -1.75 -1.88 116.57 120.37 1k3t h LYS 101 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1k3t h LYS 101 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1k3t h LYS 101 CO -0.03 0.15 -0.36 1.28 -0.57 0.00 0.00 179.45 179.91 1k3t n LEU 102 N -4.12 2.01 -0.37 2.94 7.99 0.31 -4.97 117.00 120.79 1k3t n LEU 102 Ca -0.02 -0.71 -0.05 0.00 -0.01 0.00 0.00 56.01 55.21 1k3t n LEU 102 Cb 0.23 -0.02 -0.02 0.00 -0.11 0.00 0.00 43.42 43.50 1k3t n LEU 102 CO 0.34 0.37 -0.05 0.61 -1.51 0.00 0.00 177.39 177.15 1k3t n GLY 103 N 1.39 0.75 3.70 -0.72 0.00 0.42 -4.99 105.19 105.75 1k3t n GLY 103 Ca 0.11 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 1k3t n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k3t s VAL 104 N -2.17 4.21 -0.10 1.61 1.01 -0.29 -4.67 120.40 120.01 1k3t s VAL 104 Ca 0.00 1.57 0.11 0.00 0.00 0.00 0.00 61.98 63.66 1k3t s VAL 104 Cb 0.00 -4.01 -0.16 0.00 0.00 0.00 0.00 36.38 32.21 1k3t s VAL 104 CO 0.00 0.07 0.10 -0.62 0.00 0.00 0.00 175.10 174.65 1k3t n GLU 105 N 4.47 1.63 -3.96 2.72 1.02 -0.05 -4.25 120.64 122.22 1k3t n GLU 105 Ca 0.09 -0.03 -0.34 0.00 -0.02 0.00 0.00 57.16 56.86 1k3t n GLU 105 Cb 0.47 -1.31 -0.14 0.00 -0.02 0.00 0.00 31.44 30.43 1k3t n GLU 105 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1k3t s TYR 106 N -2.44 3.02 -0.16 -0.32 1.51 -0.53 -1.51 117.35 116.91 1k3t s TYR 106 Ca -0.06 -1.45 -0.07 0.00 -1.01 0.00 0.00 57.07 54.48 1k3t s TYR 106 Cb 0.05 -2.06 -0.04 0.00 -0.11 0.00 0.00 41.96 39.80 1k3t s TYR 106 CO 0.51 -0.70 0.07 0.08 -1.11 0.00 0.00 175.55 174.40 1k3t s VAL 107 N 1.35 4.87 -0.39 0.71 1.01 0.47 -0.77 120.40 127.65 1k3t s VAL 107 Ca 0.02 -0.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.82 1k3t s VAL 107 Cb -0.16 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.06 1k3t s VAL 107 CO -0.05 0.50 0.43 -0.63 0.00 0.00 0.00 175.10 175.34 1k3t s ILE 108 N 0.04 5.10 -0.46 2.22 1.01 0.06 -0.39 121.20 128.79 1k3t s ILE 108 Ca 0.06 -0.15 -0.18 0.00 0.00 0.00 0.00 60.65 60.38 1k3t s ILE 108 Cb -0.12 -3.97 0.04 0.00 0.01 0.00 0.00 42.46 38.42 1k3t s ILE 108 CO 0.01 -0.31 0.50 -0.70 0.00 0.00 0.00 174.94 174.44 1k3t s GLU 109 N 2.14 3.09 -0.05 2.79 2.56 0.33 -0.96 118.70 128.61 1k3t s GLU 109 Ca 0.13 -0.88 0.08 0.00 0.00 0.00 0.00 54.97 54.30 1k3t s GLU 109 Cb -0.17 -4.03 0.12 0.00 2.00 0.00 0.00 34.13 32.05 1k3t s GLU 109 CO 0.13 -1.01 1.01 -1.13 -0.56 0.00 0.00 175.26 173.71 1k3t n SER 110 N 5.75 1.21 0.20 -1.70 3.41 0.48 -2.11 113.62 120.87 1k3t n SER 110 Ca -0.08 -2.35 0.08 0.00 -0.26 0.00 0.00 58.87 56.26 1k3t n SER 110 Cb 0.46 -0.25 0.38 0.00 -0.26 0.00 0.00 64.21 64.54 1k3t n SER 110 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1k3t h THR 111 N 2.85 0.72 0.00 6.66 1.35 -1.84 -3.44 112.91 119.21 1k3t h THR 111 Ca 0.00 -1.35 0.00 0.00 -0.55 0.00 0.00 66.41 64.51 1k3t h THR 111 Cb 1.09 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 1k3t h THR 111 CO 0.00 0.30 0.00 0.61 -0.25 0.00 0.00 175.52 176.18 1k3t n GLY 112 N 0.23 0.90 0.01 5.82 0.00 -1.26 -4.85 105.19 106.04 1k3t n GLY 112 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1k3t n GLY 112 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k3t n LEU 113 N 0.00 0.67 -2.57 0.99 4.32 -1.26 -4.47 117.00 114.68 1k3t n LEU 113 Ca 0.00 -0.24 -0.23 0.00 -0.02 0.00 0.00 56.01 55.53 1k3t n LEU 113 Cb 0.00 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 41.76 1k3t n LEU 113 CO 0.00 0.14 0.11 0.49 -1.22 0.00 0.00 177.39 176.91 1k3t n PHE 114 N -1.77 2.89 0.69 -1.77 3.72 -1.26 -4.78 117.46 115.19 1k3t n PHE 114 Ca 0.02 -3.12 0.12 0.00 -0.05 0.00 0.00 57.45 54.42 1k3t n PHE 114 Cb 0.40 -0.18 0.21 0.00 -0.94 0.00 0.00 39.48 38.97 1k3t n PHE 114 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1k3t n THR 115 N -0.36 0.25 -2.60 4.37 -1.04 -1.26 -3.95 114.28 109.70 1k3t n THR 115 Ca 0.32 -0.19 -0.41 0.00 -2.04 0.00 0.00 64.05 61.72 1k3t n THR 115 Cb 0.68 -0.05 -0.04 0.00 -1.82 0.00 0.00 70.33 69.09 1k3t n THR 115 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1k3t s ALA 116 N -3.12 3.32 0.24 2.41 0.00 -1.26 -0.83 121.76 122.52 1k3t s ALA 116 Ca 0.08 0.72 -0.05 0.00 0.00 0.00 0.00 51.96 52.70 1k3t s ALA 116 Cb 0.15 -3.33 0.45 0.00 0.00 0.00 0.00 23.12 20.38 1k3t s ALA 116 CO 0.71 -0.16 1.70 -0.22 0.00 0.00 0.00 175.76 177.79 1k3t h LYS 117 N 5.46 0.30 -0.72 0.00 3.64 0.99 -1.99 116.57 124.25 1k3t h LYS 117 Ca -0.43 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 58.87 1k3t h LYS 117 Cb 1.21 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.93 1k3t h LYS 117 CO 0.73 0.20 0.22 0.00 -2.27 0.00 0.00 179.45 178.33 1k3t h ALA 118 N 1.58 1.02 -0.40 5.00 0.00 -1.86 -1.26 119.26 123.34 1k3t h ALA 118 Ca 0.41 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1k3t h ALA 118 Cb 0.67 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1k3t h ALA 118 CO -0.47 0.65 -0.20 0.00 0.00 0.00 0.00 179.25 179.24 1k3t h ALA 119 N 1.16 0.56 0.00 0.00 0.00 -1.72 -3.13 119.26 116.13 1k3t h ALA 119 Ca 0.23 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1k3t h ALA 119 Cb 0.31 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1k3t h ALA 119 CO -0.01 0.52 -0.16 0.00 0.00 0.00 0.00 179.25 179.60 1k3t h ALA 120 N 0.81 1.14 0.00 0.00 0.00 -1.21 -2.08 119.26 117.92 1k3t h ALA 120 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1k3t h ALA 120 Cb 0.75 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1k3t h ALA 120 CO 0.06 0.20 0.00 0.93 0.00 0.00 0.00 179.25 180.44 1k3t h GLU 121 N 0.00 0.00 -0.22 0.00 5.08 -1.17 -1.97 114.58 116.30 1k3t h GLU 121 Ca -0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1k3t h GLU 121 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1k3t h GLU 121 CO 0.02 0.00 0.15 0.78 -1.00 0.00 0.00 179.01 178.96 1k3t h GLY 122 N 0.41 0.14 0.94 -3.84 0.00 -1.49 -1.27 103.07 97.95 1k3t h GLY 122 Ca 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.32 1k3t h GLY 122 CO 0.00 0.04 0.62 0.45 0.00 0.00 0.00 176.54 177.65 1k3t h HIS 123 N 0.12 1.15 -0.49 5.60 3.86 -1.54 -0.80 115.15 123.05 1k3t h HIS 123 Ca 0.10 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.28 1k3t h HIS 123 Cb 0.23 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 28.30 1k3t h HIS 123 CO -0.00 0.66 0.08 -0.07 0.86 0.00 0.00 177.93 179.46 1k3t h LEU 124 N 1.19 0.79 -1.84 2.43 3.38 -1.39 -1.22 115.31 118.64 1k3t h LEU 124 Ca 0.38 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1k3t h LEU 124 Cb 0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1k3t h LEU 124 CO -0.12 0.85 0.11 0.03 0.09 0.00 0.00 178.44 179.41 1k3t h ARG 125 N 0.69 0.21 0.00 1.13 3.08 -1.31 0.22 114.38 118.40 1k3t h ARG 125 Ca 0.15 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1k3t h ARG 125 Cb 0.40 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1k3t h ARG 125 CO 0.01 0.14 0.00 0.41 -1.07 0.00 0.00 179.97 179.46 1k3t n GLY 126 N -1.52 -1.29 0.00 0.04 0.00 -0.36 -4.90 105.19 97.17 1k3t n GLY 126 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1k3t n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k3t n GLY 127 N 0.41 1.49 3.86 -0.02 0.00 0.76 -1.87 105.19 109.83 1k3t n GLY 127 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1k3t n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k3t s ALA 128 N -1.72 2.40 -0.09 4.61 0.00 -0.52 -4.33 121.76 122.11 1k3t s ALA 128 Ca 0.00 -0.57 0.08 0.00 0.00 0.00 0.00 51.96 51.47 1k3t s ALA 128 Cb 0.00 -2.99 -0.11 0.00 0.00 0.00 0.00 23.12 20.01 1k3t s ALA 128 CO 0.00 -1.81 0.03 0.54 0.00 0.00 0.00 175.76 174.52 1k3t n ARG 129 N -3.42 2.49 -3.88 0.00 1.74 -0.57 -4.15 116.66 108.86 1k3t n ARG 129 Ca 0.07 -0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.04 1k3t n ARG 129 Cb 0.60 -1.23 -0.11 0.00 -1.02 0.00 0.00 32.46 30.69 1k3t n ARG 129 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1k3t s LYS 130 N -2.22 0.34 -0.06 5.56 -0.14 -0.82 -4.82 119.74 117.58 1k3t s LYS 130 Ca -0.05 -0.25 0.03 0.00 -1.36 0.00 0.00 55.97 54.34 1k3t s LYS 130 Cb 0.03 0.14 0.01 0.00 -1.68 0.00 0.00 37.83 36.32 1k3t s LYS 130 CO 0.37 -0.07 -0.13 0.08 -0.76 0.00 0.00 175.35 174.84 1k3t s VAL 131 N -0.91 1.20 -0.22 3.17 1.01 0.83 -0.40 120.40 125.07 1k3t s VAL 131 Ca -0.10 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 1k3t s VAL 131 Cb -0.06 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 1k3t s VAL 131 CO 0.01 0.36 -0.04 -0.69 0.00 0.00 0.00 175.10 174.74 1k3t s VAL 132 N 0.48 3.34 -0.26 2.92 1.01 0.48 -0.76 120.40 127.60 1k3t s VAL 132 Ca -0.11 -0.52 -0.16 0.00 0.00 0.00 0.00 61.98 61.18 1k3t s VAL 132 Cb -0.14 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1k3t s VAL 132 CO 0.03 0.41 0.44 -0.63 0.00 0.00 0.00 175.10 175.36 1k3t s ILE 133 N 1.47 5.13 -0.52 2.22 1.01 0.26 -0.51 121.20 130.25 1k3t s ILE 133 Ca 0.06 0.72 -0.04 0.00 0.00 0.00 0.00 60.65 61.38 1k3t s ILE 133 Cb -0.14 -3.76 0.02 0.00 0.01 0.00 0.00 42.46 38.59 1k3t s ILE 133 CO -0.03 0.13 2.86 -1.54 0.00 0.00 0.00 174.94 176.35 1k3t n SER 134 N 5.42 6.54 -3.61 3.58 3.41 -0.90 -1.47 113.62 126.59 1k3t n SER 134 Ca -0.06 -3.08 0.01 0.00 -0.26 0.00 0.00 58.87 55.48 1k3t n SER 134 Cb 0.50 -1.28 -0.01 0.00 -0.26 0.00 0.00 64.21 63.16 1k3t n SER 134 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k3t s ALA 135 N -1.16 -2.24 0.35 7.33 0.00 -1.22 -4.98 121.76 119.83 1k3t s ALA 135 Ca 0.60 0.80 -0.27 0.00 0.00 0.00 0.00 51.96 53.09 1k3t s ALA 135 Cb 0.35 0.31 -0.12 0.00 0.00 0.00 0.00 23.12 23.65 1k3t s ALA 135 CO -0.17 -1.01 1.08 -2.30 0.00 0.00 0.00 175.76 173.36 1k3t n PRO 136 N -0.45 1.56 -4.50 0.00 -0.02 -1.20 -4.26 135.00 126.13 1k3t n PRO 136 Ca -0.08 0.55 -0.30 0.00 -2.02 0.00 0.00 63.50 61.65 1k3t n PRO 136 Cb 0.63 -2.04 -0.07 0.00 -0.02 0.00 0.00 33.50 32.00 1k3t n PRO 136 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1k3t s ALA 137 N -1.14 4.00 0.24 3.55 0.00 -1.26 -4.89 121.76 122.25 1k3t s ALA 137 Ca 0.59 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 51.56 1k3t s ALA 137 Cb -0.62 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 1k3t s ALA 137 CO 0.60 -0.13 0.14 -1.54 0.00 0.00 0.00 175.76 174.82 1k3t s SER 138 N -3.94 0.68 0.00 0.00 1.04 -0.01 -4.90 113.70 106.57 1k3t s SER 138 Ca 0.19 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 55.17 1k3t s SER 138 Cb 0.02 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1k3t s SER 138 CO 0.11 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.09 1k3t n GLY 139 N -0.38 0.38 1.79 7.32 0.00 -1.26 0.14 105.19 113.18 1k3t n GLY 139 Ca 0.02 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1k3t n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k3t n GLY 140 N -2.19 0.50 3.74 -0.02 0.00 -1.26 -4.63 105.19 101.34 1k3t n GLY 140 Ca 0.00 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 1k3t n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k3t s ALA 141 N -2.00 3.34 0.18 4.61 0.00 -1.26 -4.98 121.76 121.65 1k3t s ALA 141 Ca 0.00 0.75 -0.31 0.00 0.00 0.00 0.00 51.96 52.39 1k3t s ALA 141 Cb 0.00 -3.32 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 1k3t s ALA 141 CO 0.00 -0.13 1.51 0.21 0.00 0.00 0.00 175.76 177.35 1k3t s LYS 142 N -0.38 4.24 -0.24 0.00 2.47 -1.24 -4.71 119.74 119.88 1k3t s LYS 142 Ca 0.48 2.31 -0.10 0.00 -1.56 0.00 0.00 55.97 57.10 1k3t s LYS 142 Cb -0.28 -3.16 -0.05 0.00 -1.46 0.00 0.00 37.83 32.89 1k3t s LYS 142 CO 0.34 -0.54 0.15 0.99 0.16 0.00 0.00 175.35 176.44 1k3t s THR 143 N 0.87 5.21 -0.07 3.43 2.01 -1.26 -1.29 115.64 124.55 1k3t s THR 143 Ca 0.67 0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.83 1k3t s THR 143 Cb -0.42 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 68.66 1k3t s THR 143 CO 0.34 0.34 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.66 1k3t s LEU 144 N 1.14 1.91 -0.19 4.42 1.43 0.01 -4.88 118.68 122.53 1k3t s LEU 144 Ca 0.07 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1k3t s LEU 144 Cb -0.14 -1.12 0.02 0.00 0.03 0.00 0.00 46.19 44.99 1k3t s LEU 144 CO 0.05 0.13 -0.19 -0.69 0.23 0.00 0.00 176.35 175.89 1k3t s VAL 145 N 0.29 2.14 0.23 -1.59 1.01 -1.26 -4.19 120.40 117.03 1k3t s VAL 145 Ca -0.12 -0.95 -0.32 0.00 0.00 0.00 0.00 61.98 60.59 1k3t s VAL 145 Cb -0.15 -1.92 -0.13 0.00 0.00 0.00 0.00 36.38 34.18 1k3t s VAL 145 CO 0.05 0.50 1.57 0.23 0.00 0.00 0.00 175.10 177.45 1k3t n MET 146 N 4.62 2.42 -0.22 2.72 2.81 -1.26 -1.53 117.12 126.68 1k3t n MET 146 Ca -0.20 0.86 0.00 0.00 -1.81 0.00 0.00 57.70 56.55 1k3t n MET 146 Cb 0.50 -2.62 0.00 0.00 -0.71 0.00 0.00 33.22 30.38 1k3t n MET 146 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1k3t n GLY 147 N 2.77 1.97 0.85 3.03 0.00 -1.26 -4.81 105.19 107.74 1k3t n GLY 147 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 1k3t n GLY 147 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1k3t n VAL 148 N -2.00 1.28 -1.84 1.61 0.31 -0.58 -4.93 118.33 112.19 1k3t n VAL 148 Ca 0.00 0.35 0.02 0.00 -0.01 0.00 0.00 64.34 64.70 1k3t n VAL 148 Cb 0.00 -1.75 0.02 0.00 -0.91 0.00 0.00 33.84 31.21 1k3t n VAL 148 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1k3t n ASN 149 N -3.69 0.39 0.28 4.52 6.94 -0.85 -4.91 115.26 117.93 1k3t n ASN 149 Ca -0.03 -2.17 0.14 0.00 -0.02 0.00 0.00 54.58 52.50 1k3t n ASN 149 Cb 0.11 -0.24 0.80 0.00 -2.36 0.00 0.00 39.78 38.09 1k3t n ASN 149 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 1k3t h HIS 150 N 0.00 0.00 0.00 -2.53 2.07 -1.90 -0.02 115.15 112.77 1k3t h HIS 150 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1k3t h HIS 150 Cb 1.33 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.31 1k3t h HIS 150 CO 0.08 0.08 0.00 0.72 -3.07 0.00 0.00 177.93 175.75 1k3t n HIS 151 N -3.57 0.00 1.47 6.12 8.25 -1.26 -1.63 115.22 124.60 1k3t n HIS 151 Ca -0.02 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.59 1k3t n HIS 151 Cb 0.21 -0.16 0.77 0.00 1.12 0.00 0.00 29.99 31.93 1k3t n HIS 151 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1k3t n GLU 152 N -1.16 0.48 -1.80 -0.41 1.02 -0.02 -4.82 120.64 113.94 1k3t n GLU 152 Ca 0.10 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.82 1k3t n GLU 152 Cb 0.09 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.99 1k3t n GLU 152 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1k3t s TYR 153 N -2.51 2.93 -0.27 -0.32 5.04 -0.64 -4.96 117.35 116.61 1k3t s TYR 153 Ca 0.30 0.49 0.02 0.00 -2.44 0.00 0.00 57.07 55.44 1k3t s TYR 153 Cb 0.20 -4.07 0.07 0.00 0.35 0.00 0.00 41.96 38.51 1k3t s TYR 153 CO 0.45 -3.96 -0.05 1.21 -1.34 0.00 0.00 175.55 171.86 1k3t s ASN 154 N 1.06 4.28 0.39 4.32 3.84 -1.26 -5.01 114.94 122.56 1k3t s ASN 154 Ca 0.72 -1.48 0.18 0.00 0.21 0.00 0.00 52.86 52.49 1k3t s ASN 154 Cb -0.48 -1.40 1.08 0.00 -0.55 0.00 0.00 41.25 39.90 1k3t s ASN 154 CO 0.34 -0.25 1.77 -0.65 -2.79 0.00 0.00 177.10 175.52 1k3t h PRO 155 N 7.82 0.40 0.00 0.43 0.11 -1.89 0.14 132.00 139.01 1k3t h PRO 155 Ca -0.16 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1k3t h PRO 155 Cb 1.05 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1k3t h PRO 155 CO 0.46 0.27 -0.42 -1.13 -0.21 0.00 0.00 178.00 176.96 1k3t n SER 156 N -4.63 0.45 -0.07 -2.05 3.41 -1.26 -4.21 113.62 105.25 1k3t n SER 156 Ca 0.25 -0.05 -0.09 0.00 -0.26 0.00 0.00 58.87 58.73 1k3t n SER 156 Cb 0.85 0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 64.82 1k3t n SER 156 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1k3t n GLU 157 N -1.61 0.84 -3.32 4.33 4.71 -0.85 -4.93 120.64 119.82 1k3t n GLU 157 Ca 0.05 0.06 -0.46 0.00 -0.01 0.00 0.00 57.16 56.81 1k3t n GLU 157 Cb 0.35 -1.29 -0.05 0.00 -1.01 0.00 0.00 31.44 29.44 1k3t n GLU 157 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 1k3t s HIS 158 N -2.29 3.25 -0.19 -0.32 3.76 0.43 -4.86 115.29 115.07 1k3t s HIS 158 Ca -0.16 -1.25 0.11 0.00 -0.15 0.00 0.00 55.06 53.61 1k3t s HIS 158 Cb 0.05 -3.74 -0.19 0.00 1.11 0.00 0.00 32.58 29.80 1k3t s HIS 158 CO 0.37 -1.00 -0.03 0.72 -0.85 0.00 0.00 174.74 173.95 1k3t n HIS 159 N 5.25 0.00 -4.04 1.40 8.25 -1.26 -4.70 115.22 120.11 1k3t n HIS 159 Ca -0.14 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 56.99 1k3t n HIS 159 Cb 0.40 -0.87 -0.15 0.00 1.12 0.00 0.00 29.99 30.49 1k3t n HIS 159 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1k3t s VAL 160 N -2.44 2.44 0.26 1.59 1.01 -1.26 -0.12 120.40 121.88 1k3t s VAL 160 Ca -0.16 -1.12 0.07 0.00 0.00 0.00 0.00 61.98 60.77 1k3t s VAL 160 Cb 0.06 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 1k3t s VAL 160 CO 0.66 0.27 -0.07 0.68 0.00 0.00 0.00 175.10 176.64 1k3t s VAL 161 N 1.27 1.63 -0.08 2.92 -7.23 0.06 -3.64 120.40 115.32 1k3t s VAL 161 Ca -0.00 -2.14 0.03 0.00 -1.81 0.00 0.00 61.98 58.06 1k3t s VAL 161 Cb -0.16 -2.35 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 1k3t s VAL 161 CO -0.08 -0.37 -0.18 -0.55 -0.31 0.00 0.00 175.10 173.62 1k3t s SER 162 N -3.41 3.68 -0.10 4.85 0.15 -0.41 0.91 113.70 119.38 1k3t s SER 162 Ca 0.28 -0.35 0.07 0.00 0.70 0.00 0.00 55.95 56.65 1k3t s SER 162 Cb 0.03 -1.11 0.39 0.00 -1.71 0.00 0.00 66.02 63.62 1k3t s SER 162 CO 0.11 0.25 1.13 -3.20 1.20 0.00 0.00 173.24 172.73 1k3t n ASN 163 N 2.94 3.10 0.00 5.45 5.15 -0.54 -0.81 115.26 130.55 1k3t n ASN 163 Ca -0.18 -2.38 0.00 0.00 -0.60 0.00 0.00 54.58 51.42 1k3t n ASN 163 Cb 0.52 -0.54 0.00 0.00 -0.53 0.00 0.00 39.78 39.24 1k3t n ASN 163 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1k3t n ALA 164 N 0.35 0.00 -2.57 5.20 0.00 -1.26 -4.79 120.51 117.43 1k3t n ALA 164 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.30 1k3t n ALA 164 Cb 0.65 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.00 1k3t n ALA 164 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1k3t s SER 165 N -4.00 3.97 0.19 0.00 1.04 -1.26 -3.24 113.70 110.41 1k3t s SER 165 Ca 0.00 -1.26 -0.12 0.00 0.48 0.00 0.00 55.95 55.05 1k3t s SER 165 Cb 0.00 -0.42 0.12 0.00 0.10 0.00 0.00 66.02 65.83 1k3t s SER 165 CO 0.00 -0.41 1.86 0.00 0.98 0.00 0.00 173.24 175.68 1k3t h THR 167 N 0.89 1.27 -0.49 0.00 2.02 -1.96 -2.10 112.91 112.54 1k3t h THR 167 Ca 0.24 -1.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.09 1k3t h THR 167 Cb -0.10 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1k3t h THR 167 CO -0.06 0.46 0.25 0.74 0.37 0.00 0.00 175.52 177.28 1k3t h THR 168 N 0.83 1.16 0.00 3.16 2.02 -1.77 -1.17 112.91 117.14 1k3t h THR 168 Ca 0.12 -0.42 -0.06 0.00 0.77 0.00 0.00 66.41 66.82 1k3t h THR 168 Cb 0.73 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1k3t h THR 168 CO 0.06 0.18 -0.26 0.78 0.37 0.00 0.00 175.52 176.64 1k3t h ASN 169 N 0.68 0.00 0.06 4.18 2.35 -0.54 -1.28 115.58 121.03 1k3t h ASN 169 Ca 0.17 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.81 1k3t h ASN 169 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1k3t h ASN 169 CO -0.03 0.26 -0.52 0.00 -1.65 0.00 0.00 177.43 175.50 1k3t h LEU 171 N -0.72 -0.31 -0.61 0.00 6.46 -1.23 -3.36 115.31 115.53 1k3t h LEU 171 Ca -0.11 -0.12 0.12 0.00 -0.12 0.00 0.00 57.88 57.65 1k3t h LEU 171 Cb 1.32 0.08 -0.09 0.00 -0.73 0.00 0.00 40.66 41.24 1k3t h LEU 171 CO 0.04 -0.06 0.13 0.00 -0.62 0.00 0.00 178.44 177.93 1k3t h ALA 172 N 0.11 0.73 -0.64 1.25 0.00 -1.45 -0.75 119.26 118.50 1k3t h ALA 172 Ca -0.04 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1k3t h ALA 172 Cb 0.41 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1k3t h ALA 172 CO 0.06 -0.31 0.42 -1.35 0.00 0.00 0.00 179.25 178.07 1k3t h PRO 173 N 0.25 0.76 0.08 0.00 0.11 -1.76 0.24 132.00 131.68 1k3t h PRO 173 Ca 0.32 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.39 1k3t h PRO 173 Cb 0.49 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1k3t h PRO 173 CO -0.42 0.50 -0.04 0.82 -0.21 0.00 0.00 178.00 178.65 1k3t h ILE 174 N 0.78 1.07 -0.72 4.15 1.08 -1.29 -2.77 117.51 119.81 1k3t h ILE 174 Ca 0.25 -0.51 -0.02 0.00 -0.39 0.00 0.00 64.86 64.19 1k3t h ILE 174 Cb 0.03 1.40 -0.03 0.00 -3.07 0.00 0.00 36.82 35.15 1k3t h ILE 174 CO -0.07 0.13 0.38 0.58 -0.69 0.00 0.00 178.15 178.48 1k3t h VAL 175 N -0.34 1.23 -0.42 1.67 2.07 -1.08 -2.15 116.25 117.23 1k3t h VAL 175 Ca -0.01 -0.60 0.06 0.00 0.82 0.00 0.00 66.70 66.97 1k3t h VAL 175 Cb 0.29 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 1k3t h VAL 175 CO 0.02 0.26 0.11 -0.74 0.02 0.00 0.00 177.57 177.24 1k3t h HIS 176 N 1.00 0.19 0.59 1.57 -0.00 -0.44 0.38 115.15 118.44 1k3t h HIS 176 Ca 0.25 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.62 1k3t h HIS 176 Cb 0.07 -0.02 -0.00 0.00 -0.00 0.00 0.00 27.41 27.46 1k3t h HIS 176 CO 0.00 0.05 -0.32 0.28 -0.00 0.00 0.00 177.93 177.93 1k3t h VAL 177 N 0.25 0.34 -0.59 5.26 2.07 -1.17 0.61 116.25 123.01 1k3t h VAL 177 Ca 0.20 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.84 1k3t h VAL 177 Cb 0.22 0.34 -0.11 0.00 -1.52 0.00 0.00 31.29 30.22 1k3t h VAL 177 CO -0.24 0.00 -0.06 -0.07 0.02 0.00 0.00 177.57 177.22 1k3t h LEU 178 N -0.85 -0.39 -0.04 2.57 3.38 -1.21 0.31 115.31 119.08 1k3t h LEU 178 Ca -0.08 0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1k3t h LEU 178 Cb 0.67 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1k3t h LEU 178 CO 0.10 -0.15 -0.13 0.58 0.09 0.00 0.00 178.44 178.94 1k3t h VAL 179 N 0.06 1.46 -0.35 1.22 2.07 -0.77 -0.36 116.25 119.59 1k3t h VAL 179 Ca 0.30 -1.55 0.03 0.00 0.82 0.00 0.00 66.70 66.30 1k3t h VAL 179 Cb 0.47 2.38 -0.03 0.00 -1.52 0.00 0.00 31.29 32.59 1k3t h VAL 179 CO -0.55 0.42 0.17 0.50 0.02 0.00 0.00 177.57 178.13 1k3t h LYS 180 N -0.40 0.34 0.00 1.57 3.64 0.52 -2.17 116.57 120.07 1k3t h LYS 180 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1k3t h LYS 180 Cb 0.75 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1k3t h LYS 180 CO 0.03 0.23 0.00 0.39 -2.27 0.00 0.00 179.45 177.82 1k3t n GLU 181 N -4.95 0.28 -0.67 1.90 -0.58 0.11 -4.88 120.64 111.85 1k3t n GLU 181 Ca 0.01 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1k3t n GLU 181 Cb 0.09 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 1k3t n GLU 181 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k3t n GLY 182 N 0.39 0.66 0.09 0.62 0.00 -0.82 -4.91 105.19 101.23 1k3t n GLY 182 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 1k3t n GLY 182 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1k3t h PHE 183 N 0.00 0.20 -1.33 1.61 0.04 -1.49 -3.44 116.94 112.53 1k3t h PHE 183 Ca 0.00 -0.04 0.14 0.00 2.80 0.00 0.00 57.97 60.87 1k3t h PHE 183 Cb 0.00 -0.05 -0.06 0.00 2.20 0.00 0.00 35.95 38.04 1k3t h PHE 183 CO 0.00 0.47 -0.40 0.41 -0.60 0.00 0.00 178.31 178.20 1k3t n GLY 184 N -0.17 -2.42 2.86 -1.45 0.00 -0.25 -0.97 105.19 102.79 1k3t n GLY 184 Ca -0.06 -1.33 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 1k3t n GLY 184 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k3t s VAL 185 N -2.78 1.29 -0.11 1.61 1.01 -1.26 -2.78 120.40 117.37 1k3t s VAL 185 Ca 0.00 -1.30 -0.13 0.00 0.00 0.00 0.00 61.98 60.54 1k3t s VAL 185 Cb 0.00 -1.75 -0.11 0.00 0.00 0.00 0.00 36.38 34.52 1k3t s VAL 185 CO 0.00 -0.34 0.40 -0.61 0.00 0.00 0.00 175.10 174.56 1k3t h GLN 186 N 7.99 -0.05 -4.03 2.72 4.15 -1.44 -3.46 115.11 121.00 1k3t h GLN 186 Ca -0.15 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.13 1k3t h GLN 186 Cb 1.06 0.01 -0.18 0.00 0.21 0.00 0.00 27.48 28.57 1k3t h GLN 186 CO 0.43 0.36 -0.66 0.95 -1.93 0.00 0.00 178.83 177.98 1k3t s THR 187 N -2.09 0.15 -0.09 2.39 -4.23 -1.22 -4.82 115.64 105.74 1k3t s THR 187 Ca -0.08 -1.25 -0.27 0.00 -1.18 0.00 0.00 61.69 58.91 1k3t s THR 187 Cb -0.01 -0.81 0.06 0.00 1.34 0.00 0.00 72.50 73.08 1k3t s THR 187 CO 0.31 -0.69 0.61 -0.83 -0.54 0.00 0.00 174.62 173.48 1k3t s GLY 188 N -2.08 -0.49 -0.04 3.99 0.00 -0.05 -0.68 107.32 107.98 1k3t s GLY 188 Ca -0.06 1.27 0.01 0.00 0.00 0.00 0.00 44.72 45.94 1k3t s GLY 188 CO -0.05 0.96 -0.03 1.08 0.00 0.00 0.00 173.10 175.06 1k3t s LEU 189 N -0.88 1.34 -0.02 0.66 1.43 -0.31 -2.67 118.68 118.23 1k3t s LEU 189 Ca -0.09 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1k3t s LEU 189 Cb -0.02 -0.36 -0.03 0.00 0.03 0.00 0.00 46.19 45.80 1k3t s LEU 189 CO 0.07 -0.06 -0.00 -0.32 0.23 0.00 0.00 176.35 176.27 1k3t s MET 190 N 0.85 2.83 -0.06 1.70 -2.45 -0.43 -1.00 119.30 120.74 1k3t s MET 190 Ca -0.10 -0.56 0.06 0.00 -1.25 0.00 0.00 55.69 53.83 1k3t s MET 190 Cb -0.13 -2.69 -0.01 0.00 1.25 0.00 0.00 34.83 33.24 1k3t s MET 190 CO -0.00 0.64 -0.24 0.99 1.05 0.00 0.00 175.02 177.46 1k3t s THR 191 N -1.03 2.01 -0.15 10.11 2.01 0.27 -2.10 115.64 126.75 1k3t s THR 191 Ca 0.18 -1.03 -0.02 0.00 0.31 0.00 0.00 61.69 61.13 1k3t s THR 191 Cb -0.11 -1.70 -0.02 0.00 0.01 0.00 0.00 72.50 70.67 1k3t s THR 191 CO 0.08 0.56 -0.09 0.28 -0.69 0.00 0.00 174.62 174.76 1k3t s THR 192 N -0.07 3.31 -0.51 -0.82 -1.32 -0.73 0.58 115.64 116.09 1k3t s THR 192 Ca -0.06 -0.56 -0.18 0.00 -1.21 0.00 0.00 61.69 59.68 1k3t s THR 192 Cb -0.14 -2.43 0.07 0.00 -1.51 0.00 0.00 72.50 68.49 1k3t s THR 192 CO 0.04 0.50 0.57 -0.63 -2.21 0.00 0.00 174.62 172.90 1k3t s ILE 193 N 0.56 4.97 -0.07 5.08 1.01 0.75 -1.16 121.20 132.34 1k3t s ILE 193 Ca -0.06 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 59.92 1k3t s ILE 193 Cb -0.15 -4.28 -0.02 0.00 0.01 0.00 0.00 42.46 38.02 1k3t s ILE 193 CO 0.03 -0.78 -0.16 -2.28 0.00 0.00 0.00 174.94 171.75 1k3t s HIS 194 N 2.37 2.68 0.37 3.97 2.46 0.09 -1.16 115.29 126.06 1k3t s HIS 194 Ca 0.12 -0.36 -0.26 0.00 0.47 0.00 0.00 55.06 55.02 1k3t s HIS 194 Cb -0.21 -1.67 -0.12 0.00 -0.13 0.00 0.00 32.58 30.45 1k3t s HIS 194 CO 0.10 0.03 1.11 0.43 -2.47 0.00 0.00 174.74 173.93 1k3t n SER 195 N 2.69 1.78 -4.61 9.88 7.64 -1.24 -0.50 113.62 129.26 1k3t n SER 195 Ca -0.17 1.12 -0.30 0.00 1.01 0.00 0.00 58.87 60.54 1k3t n SER 195 Cb 0.52 -1.38 0.19 0.00 -1.01 0.00 0.00 64.21 62.53 1k3t n SER 195 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1k3t s TYR 196 N -1.17 1.72 0.33 1.43 -0.85 -1.02 -4.82 117.35 112.98 1k3t s TYR 196 Ca 0.60 1.39 0.04 0.00 -0.52 0.00 0.00 57.07 58.58 1k3t s TYR 196 Cb -0.59 -3.19 -0.03 0.00 0.38 0.00 0.00 41.96 38.52 1k3t s TYR 196 CO 0.59 -3.11 0.16 0.95 -1.52 0.00 0.00 175.55 172.62 1k3t s THR 197 N -2.66 0.41 0.54 -3.49 -4.23 -1.26 -4.80 115.64 100.14 1k3t s THR 197 Ca 0.66 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 59.52 1k3t s THR 197 Cb -0.22 -2.49 0.38 0.00 1.34 0.00 0.00 72.50 71.51 1k3t s THR 197 CO 0.60 0.00 2.24 0.00 -0.54 0.00 0.00 174.62 176.92 1k3t h ALA 198 N 2.10 1.23 0.00 3.99 0.00 -2.00 -0.61 119.26 123.97 1k3t h ALA 198 Ca -0.33 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1k3t h ALA 198 Cb 1.25 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1k3t h ALA 198 CO 0.53 0.03 -0.11 1.79 0.00 0.00 0.00 179.25 181.49 1k3t h THR 199 N 0.00 0.26 -3.87 0.00 1.35 -2.00 -3.45 112.91 105.20 1k3t h THR 199 Ca -0.00 -0.85 -0.44 0.00 -0.55 0.00 0.00 66.41 64.58 1k3t h THR 199 Cb 0.12 1.68 0.17 0.00 -1.73 0.00 0.00 68.15 68.39 1k3t h THR 199 CO 0.00 0.11 0.30 -1.10 -0.25 0.00 0.00 175.52 174.58 1k3t s GLN 200 N -3.62 0.03 0.04 4.72 -0.21 -0.24 -5.00 119.66 115.39 1k3t s GLN 200 Ca 0.01 -0.20 0.08 0.00 0.02 0.00 0.00 55.36 55.27 1k3t s GLN 200 Cb 0.09 -1.75 -0.03 0.00 1.00 0.00 0.00 33.01 32.32 1k3t s GLN 200 CO 0.60 -2.86 -0.24 0.15 -2.12 0.00 0.00 175.29 170.82 1k3t s LYS 201 N -5.65 1.67 0.07 2.91 -0.14 -1.26 -4.99 119.74 112.35 1k3t s LYS 201 Ca 0.72 -1.03 -0.23 0.00 -1.36 0.00 0.00 55.97 54.07 1k3t s LYS 201 Cb -0.07 -1.80 -0.14 0.00 -1.68 0.00 0.00 37.83 34.14 1k3t s LYS 201 CO 0.54 0.47 1.64 1.79 -0.76 0.00 0.00 175.35 179.03 1k3t h THR 202 N 4.30 1.10 -2.31 2.17 1.35 -1.93 -1.59 112.91 116.00 1k3t h THR 202 Ca -0.45 -0.29 -0.55 0.00 -0.55 0.00 0.00 66.41 64.57 1k3t h THR 202 Cb 1.15 1.20 -0.14 0.00 -1.73 0.00 0.00 68.15 68.63 1k3t h THR 202 CO 0.44 0.08 -0.68 0.68 -0.25 0.00 0.00 175.52 175.80 1k3t s VAL 203 N -5.74 1.92 -0.20 6.82 -7.23 -1.26 -4.02 120.40 110.68 1k3t s VAL 203 Ca -0.14 -2.16 -0.38 0.00 -1.81 0.00 0.00 61.98 57.50 1k3t s VAL 203 Cb 0.06 -2.55 -0.14 0.00 0.56 0.00 0.00 36.38 34.31 1k3t s VAL 203 CO 0.67 -0.25 1.80 0.47 -0.31 0.00 0.00 175.10 177.49 1k3t n ASP 204 N -0.69 2.81 0.00 4.85 8.00 -1.26 -4.30 116.55 125.96 1k3t n ASP 204 Ca -0.05 1.03 0.00 0.00 0.71 0.00 0.00 54.79 56.48 1k3t n ASP 204 Cb 0.63 -1.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.50 1k3t n ASP 204 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k3t n GLY 205 N 4.28 5.31 3.70 0.44 0.00 0.52 -4.93 105.19 114.51 1k3t n GLY 205 Ca 0.25 -1.39 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 1k3t n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k3t s VAL 206 N 1.34 5.18 -0.50 1.61 1.01 -1.26 -4.75 120.40 123.03 1k3t s VAL 206 Ca 0.00 0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.14 1k3t s VAL 206 Cb 0.00 -3.35 0.20 0.00 0.00 0.00 0.00 36.38 33.23 1k3t s VAL 206 CO 0.00 0.46 0.78 -0.24 0.00 0.00 0.00 175.10 176.09 1k3t n SER 207 N 3.44 -3.26 0.26 3.32 2.88 -1.26 -4.82 113.62 114.19 1k3t n SER 207 Ca -0.16 -2.82 0.17 0.00 -1.33 0.00 0.00 58.87 54.72 1k3t n SER 207 Cb 0.52 1.69 0.64 0.00 -0.75 0.00 0.00 64.21 66.31 1k3t n SER 207 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1k3t h VAL 208 N 4.60 0.00 -0.62 2.46 3.04 -1.94 -3.10 116.25 120.68 1k3t h VAL 208 Ca 0.03 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 1k3t h VAL 208 Cb 1.11 1.50 0.00 0.00 -2.01 0.00 0.00 31.29 31.89 1k3t h VAL 208 CO 0.03 0.00 0.00 0.29 -1.01 0.00 0.00 177.57 176.88 1k3t n LYS 209 N -3.03 2.75 -2.80 4.17 5.02 -1.26 -4.49 118.16 118.53 1k3t n LYS 209 Ca 0.01 -2.37 -0.01 0.00 -2.02 0.00 0.00 58.31 53.92 1k3t n LYS 209 Cb 0.31 -1.59 0.01 0.00 -0.02 0.00 0.00 35.03 33.75 1k3t n LYS 209 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1k3t s ASP 210 N -0.95 -0.69 0.15 4.39 2.15 -1.18 -5.07 116.67 115.48 1k3t s ASP 210 Ca 0.44 -0.59 -0.20 0.00 0.43 0.00 0.00 52.55 52.63 1k3t s ASP 210 Cb 0.24 0.89 0.05 0.00 -0.30 0.00 0.00 42.92 43.80 1k3t s ASP 210 CO 0.27 -0.05 1.66 -0.50 -0.17 0.00 0.00 175.17 176.38 1k3t h TRP 211 N 5.16 -0.36 -0.89 -5.34 4.06 -1.78 -0.97 115.95 115.82 1k3t h TRP 211 Ca 0.00 0.03 0.05 0.00 2.06 0.00 0.00 58.89 61.04 1k3t h TRP 211 Cb 1.18 0.21 -0.06 0.00 -1.00 0.00 0.00 29.16 29.49 1k3t h TRP 211 CO -0.02 -0.22 0.57 0.00 -3.56 0.00 0.00 178.44 175.20 1k3t h ARG 212 N -0.11 1.04 0.00 0.49 3.08 -1.88 -2.46 114.38 114.54 1k3t h ARG 212 Ca 0.15 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1k3t h ARG 212 Cb 0.34 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1k3t h ARG 212 CO -0.36 0.69 0.00 0.78 -1.07 0.00 0.00 179.97 180.00 1k3t h GLY 213 N 1.07 0.00 0.83 0.04 0.00 -1.46 -1.27 103.07 102.27 1k3t h GLY 213 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1k3t h GLY 213 CO -0.14 0.00 -0.09 0.61 0.00 0.00 0.00 176.54 176.92 1k3t n GLY 214 N -0.87 -0.89 3.87 4.60 0.00 -0.92 -4.33 105.19 106.64 1k3t n GLY 214 Ca -0.01 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 1k3t n GLY 214 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k3t s ARG 215 N -2.39 2.88 -0.03 1.61 1.81 -0.48 -0.35 118.95 122.00 1k3t s ARG 215 Ca 0.32 0.54 -0.33 0.00 -1.72 0.00 0.00 55.73 54.54 1k3t s ARG 215 Cb 0.20 -2.02 -0.11 0.00 -0.45 0.00 0.00 34.95 32.57 1k3t s ARG 215 CO 0.45 -1.04 1.88 0.00 -0.68 0.00 0.00 175.30 175.92 1k3t n ALA 216 N -3.02 1.17 0.01 2.13 0.00 -1.26 -4.47 120.51 115.06 1k3t n ALA 216 Ca 0.07 0.28 -0.19 0.00 0.00 0.00 0.00 53.44 53.60 1k3t n ALA 216 Cb 0.56 -2.54 -0.10 0.00 0.00 0.00 0.00 19.45 17.37 1k3t n ALA 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k3t h ALA 217 N 9.28 0.14 -0.14 0.00 0.00 -1.42 -3.26 119.26 123.86 1k3t h ALA 217 Ca -0.48 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 53.80 1k3t h ALA 217 Cb 1.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1k3t h ALA 217 CO 0.94 0.56 0.00 0.00 0.00 0.00 0.00 179.25 180.75 1k3t n ALA 218 N -2.62 2.53 0.02 0.00 0.00 -1.26 -3.94 120.51 115.24 1k3t n ALA 218 Ca -0.10 -0.42 0.01 0.00 0.00 0.00 0.00 53.44 52.93 1k3t n ALA 218 Cb 0.77 -1.12 0.02 0.00 0.00 0.00 0.00 19.45 19.12 1k3t n ALA 218 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1k3t n VAL 219 N 0.05 0.51 -4.27 0.00 0.24 -1.25 -4.73 118.33 108.88 1k3t n VAL 219 Ca 0.14 -0.75 -0.18 0.00 -2.04 0.00 0.00 64.34 61.51 1k3t n VAL 219 Cb 0.25 0.76 -0.11 0.00 -1.47 0.00 0.00 33.84 33.28 1k3t n VAL 219 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1k3t s ASN 220 N -0.58 2.10 -0.22 -1.34 0.01 -1.23 -5.06 114.94 108.63 1k3t s ASN 220 Ca 0.03 -0.88 -0.20 0.00 -0.71 0.00 0.00 52.86 51.10 1k3t s ASN 220 Cb 0.02 -0.08 -0.03 0.00 0.41 0.00 0.00 41.25 41.57 1k3t s ASN 220 CO 0.02 -0.17 0.58 -0.63 -1.51 0.00 0.00 177.10 175.39 1k3t s ILE 221 N -2.44 5.04 -0.24 0.60 1.01 -1.26 -4.31 121.20 119.60 1k3t s ILE 221 Ca 0.13 1.06 0.02 0.00 0.00 0.00 0.00 60.65 61.85 1k3t s ILE 221 Cb -0.03 -3.89 0.05 0.00 0.01 0.00 0.00 42.46 38.60 1k3t s ILE 221 CO 0.03 0.10 -0.11 -0.63 0.00 0.00 0.00 174.94 174.34 1k3t s ILE 222 N 2.07 1.96 0.46 2.92 1.01 0.36 -4.90 121.20 125.08 1k3t s ILE 222 Ca 0.25 -1.41 -0.22 0.00 0.00 0.00 0.00 60.65 59.28 1k3t s ILE 222 Cb -0.16 -2.07 -0.08 0.00 0.01 0.00 0.00 42.46 40.17 1k3t s ILE 222 CO 0.09 0.03 1.10 -2.84 0.00 0.00 0.00 174.94 173.32 1k3t s PRO 223 N 1.22 3.82 -0.05 2.79 0.02 -1.26 0.69 135.00 142.23 1k3t s PRO 223 Ca -0.06 1.58 -0.21 0.00 0.02 0.00 0.00 61.00 62.34 1k3t s PRO 223 Cb -0.19 -2.31 0.04 0.00 0.02 0.00 0.00 34.50 32.06 1k3t s PRO 223 CO -0.06 -0.45 0.46 0.45 -0.33 0.00 0.00 177.00 177.06 1k3t s SER 224 N -1.62 -0.39 0.65 2.53 0.15 0.70 -4.71 113.70 111.00 1k3t s SER 224 Ca 0.64 0.43 -0.13 0.00 0.70 0.00 0.00 55.95 57.59 1k3t s SER 224 Cb -0.23 0.49 -0.01 0.00 -1.71 0.00 0.00 66.02 64.55 1k3t s SER 224 CO 0.28 -0.46 1.06 0.42 1.20 0.00 0.00 173.24 175.74 1k3t s THR 225 N -1.05 3.95 -0.09 6.45 -4.23 -1.26 -0.72 115.64 118.69 1k3t s THR 225 Ca -0.11 0.76 -0.16 0.00 -1.18 0.00 0.00 61.69 61.00 1k3t s THR 225 Cb -0.03 -3.40 0.04 0.00 1.34 0.00 0.00 72.50 70.44 1k3t s THR 225 CO 0.06 -0.70 0.39 0.28 -0.54 0.00 0.00 174.62 174.11 1k3t s THR 226 N -2.78 0.02 -2.24 3.99 -1.32 -1.24 -4.70 115.64 107.37 1k3t s THR 226 Ca 0.60 -0.19 0.20 0.00 -1.21 0.00 0.00 61.69 61.09 1k3t s THR 226 Cb -0.15 -0.63 0.44 0.00 -1.51 0.00 0.00 72.50 70.66 1k3t s THR 226 CO 0.47 -0.11 1.44 0.61 -2.21 0.00 0.00 174.62 174.82 1k3t n GLY 227 N 2.05 1.10 0.06 6.08 0.00 -1.26 -4.48 105.19 108.73 1k3t n GLY 227 Ca -0.17 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 1k3t n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k3t h ALA 228 N 4.15 0.06 -0.41 4.61 0.00 -1.95 0.20 119.26 125.92 1k3t h ALA 228 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1k3t h ALA 228 Cb 0.70 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1k3t h ALA 228 CO 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 179.25 178.73 1k3t h ALA 229 N 0.97 0.56 -0.89 0.00 0.00 -1.89 -2.74 119.26 115.27 1k3t h ALA 229 Ca 0.02 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1k3t h ALA 229 Cb 0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1k3t h ALA 229 CO -0.00 0.43 0.59 -0.22 0.00 0.00 0.00 179.25 180.04 1k3t h LYS 230 N 0.60 1.18 -0.05 0.00 3.64 -1.63 -2.02 116.57 118.28 1k3t h LYS 230 Ca 0.10 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1k3t h LYS 230 Cb 0.62 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1k3t h LYS 230 CO 0.04 0.78 0.07 0.00 -2.27 0.00 0.00 179.45 178.08 1k3t h ALA 231 N 1.32 1.48 0.00 5.00 0.00 -0.65 0.26 119.26 126.66 1k3t h ALA 231 Ca 0.33 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1k3t h ALA 231 Cb -0.13 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1k3t h ALA 231 CO -0.07 -0.10 -0.12 0.28 0.00 0.00 0.00 179.25 179.24 1k3t h VAL 232 N 0.00 0.98 0.00 0.00 2.07 -1.19 0.11 116.25 118.23 1k3t h VAL 232 Ca 0.02 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1k3t h VAL 232 Cb 0.17 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1k3t h VAL 232 CO -0.00 0.11 0.00 1.23 0.02 0.00 0.00 177.57 178.93 1k3t h GLY 233 N 0.40 0.00 0.37 2.17 0.00 -1.00 0.25 103.07 105.26 1k3t h GLY 233 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1k3t h GLY 233 CO 0.01 0.00 -1.24 1.15 0.00 0.00 0.00 176.54 176.47 1k3t n MET 234 N -2.42 0.33 -0.01 4.80 0.00 0.37 -3.71 117.12 116.49 1k3t n MET 234 Ca 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 57.70 57.72 1k3t n MET 234 Cb 0.16 -1.57 -0.09 0.00 0.00 0.00 0.00 33.22 31.72 1k3t n MET 234 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1k3t n VAL 235 N -1.98 0.04 -3.34 3.17 0.31 -0.70 -4.58 118.33 111.26 1k3t n VAL 235 Ca 0.01 -0.29 -0.26 0.00 -0.01 0.00 0.00 64.34 63.79 1k3t n VAL 235 Cb 0.45 0.17 -0.08 0.00 -0.91 0.00 0.00 33.84 33.47 1k3t n VAL 235 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1k3t n ILE 236 N -1.95 -0.26 -0.23 2.52 5.41 0.79 -4.67 119.36 120.97 1k3t n ILE 236 Ca -0.03 -4.06 0.22 0.00 1.00 0.00 0.00 62.75 59.87 1k3t n ILE 236 Cb 0.35 -1.90 0.40 0.00 -0.71 0.00 0.00 39.64 37.77 1k3t n ILE 236 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1k3t n PRO 237 N 1.82 -0.04 0.00 0.38 -0.02 -1.24 -0.10 135.00 135.79 1k3t n PRO 237 Ca 0.25 0.99 0.05 0.00 -2.02 0.00 0.00 63.50 62.78 1k3t n PRO 237 Cb 0.48 -1.76 0.26 0.00 -0.02 0.00 0.00 33.50 32.46 1k3t n PRO 237 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1k3t n SER 238 N -4.65 0.00 -0.93 2.55 3.41 -1.26 -1.97 113.62 110.77 1k3t n SER 238 Ca 0.26 0.19 0.11 0.00 -0.26 0.00 0.00 58.87 59.18 1k3t n SER 238 Cb 0.88 -0.32 0.10 0.00 -0.26 0.00 0.00 64.21 64.61 1k3t n SER 238 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1k3t n THR 239 N -1.32 0.03 -1.62 6.66 -2.24 0.85 -4.93 114.28 111.71 1k3t n THR 239 Ca 0.05 -0.51 -0.49 0.00 -2.27 0.00 0.00 64.05 60.82 1k3t n THR 239 Cb 0.09 1.45 -0.05 0.00 -2.10 0.00 0.00 70.33 69.72 1k3t n THR 239 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k3t n GLN 240 N 1.30 1.55 -0.57 -0.78 6.02 -0.83 -1.30 117.38 122.77 1k3t n GLN 240 Ca 0.14 0.56 0.00 0.00 -0.01 0.00 0.00 57.00 57.69 1k3t n GLN 240 Cb 0.58 -2.25 0.00 0.00 1.02 0.00 0.00 30.24 29.59 1k3t n GLN 240 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1k3t n GLY 241 N 2.84 0.64 0.01 1.08 0.00 -1.26 -4.83 105.19 103.66 1k3t n GLY 241 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.30 1k3t n GLY 241 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k3t n LYS 242 N -2.00 0.23 -4.51 1.61 5.02 -0.42 -4.96 118.16 113.12 1k3t n LYS 242 Ca 0.00 -0.06 -0.21 0.00 -2.02 0.00 0.00 58.31 56.03 1k3t n LYS 242 Cb 0.00 -1.52 -0.15 0.00 -0.02 0.00 0.00 35.03 33.34 1k3t n LYS 242 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1k3t s LEU 243 N -3.55 1.99 0.30 -0.35 2.01 -1.25 -0.87 118.68 116.96 1k3t s LEU 243 Ca 0.03 -0.21 -0.06 0.00 0.01 0.00 0.00 54.13 53.89 1k3t s LEU 243 Cb 0.15 -0.60 -0.00 0.00 0.01 0.00 0.00 46.19 45.75 1k3t s LEU 243 CO 0.87 0.13 0.46 0.28 1.01 0.00 0.00 176.35 179.10 1k3t s THR 244 N -0.21 0.00 0.12 5.49 -1.32 -1.09 -3.72 115.64 114.92 1k3t s THR 244 Ca 0.03 -1.54 -0.11 0.00 -1.21 0.00 0.00 61.69 58.86 1k3t s THR 244 Cb -0.05 -2.49 0.04 0.00 -1.51 0.00 0.00 72.50 68.49 1k3t s THR 244 CO -0.00 0.00 0.53 0.61 -2.21 0.00 0.00 174.62 173.54 1k3t n GLY 245 N -0.47 1.04 3.39 6.08 0.00 -1.26 -1.31 105.19 112.65 1k3t n GLY 245 Ca -0.00 -1.07 -0.15 0.00 0.00 0.00 0.00 46.02 44.80 1k3t n GLY 245 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1k3t s MET 246 N -2.03 1.68 0.07 1.61 0.23 -0.89 -3.64 119.30 116.33 1k3t s MET 246 Ca 0.12 -1.74 0.05 0.00 -1.03 0.00 0.00 55.69 53.08 1k3t s MET 246 Cb -0.02 0.38 -0.03 0.00 -1.53 0.00 0.00 34.83 33.63 1k3t s MET 246 CO 0.04 -0.65 -0.13 0.45 -2.03 0.00 0.00 175.02 172.69 1k3t s SER 247 N -3.23 1.58 -0.16 -1.18 0.15 0.10 -1.78 113.70 109.18 1k3t s SER 247 Ca 0.34 -0.62 0.01 0.00 0.70 0.00 0.00 55.95 56.38 1k3t s SER 247 Cb 0.02 -0.04 0.02 0.00 -1.71 0.00 0.00 66.02 64.31 1k3t s SER 247 CO 0.19 -0.10 -0.19 -0.36 1.20 0.00 0.00 173.24 173.99 1k3t s PHE 248 N -1.35 2.59 -0.25 3.44 0.08 -0.31 -0.22 117.98 121.96 1k3t s PHE 248 Ca -0.02 -1.48 -0.20 0.00 0.12 0.00 0.00 56.93 55.34 1k3t s PHE 248 Cb -0.10 -1.81 -0.02 0.00 -0.57 0.00 0.00 43.02 40.53 1k3t s PHE 248 CO 0.02 -0.74 0.63 1.03 -0.10 0.00 0.00 175.22 176.07 1k3t s ARG 249 N 1.26 4.11 0.32 0.44 3.00 0.22 -0.73 118.95 127.57 1k3t s ARG 249 Ca 0.03 0.56 0.10 0.00 0.00 0.00 0.00 55.73 56.42 1k3t s ARG 249 Cb -0.13 -3.65 -0.06 0.00 0.00 0.00 0.00 34.95 31.11 1k3t s ARG 249 CO -0.11 -0.41 -0.07 0.14 0.00 0.00 0.00 175.30 174.85 1k3t s VAL 250 N 2.51 2.52 -1.51 3.52 -7.23 0.35 -0.48 120.40 120.07 1k3t s VAL 250 Ca 0.26 -2.15 -0.10 0.00 -1.81 0.00 0.00 61.98 58.19 1k3t s VAL 250 Cb -0.15 -2.64 -0.10 0.00 0.56 0.00 0.00 36.38 34.04 1k3t s VAL 250 CO 0.08 -0.26 2.99 -2.65 -0.31 0.00 0.00 175.10 174.96 1k3t n PRO 251 N -0.82 3.57 -4.58 4.82 -0.02 -1.26 -2.85 135.00 133.86 1k3t n PRO 251 Ca -0.05 -2.11 -0.28 0.00 -2.02 0.00 0.00 63.50 59.05 1k3t n PRO 251 Cb 0.62 -2.74 -0.14 0.00 -0.02 0.00 0.00 33.50 31.22 1k3t n PRO 251 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1k3t s THR 252 N 2.12 1.99 -0.35 3.45 -4.23 -1.26 -4.99 115.64 112.37 1k3t s THR 252 Ca 0.69 -1.48 0.25 0.00 -1.18 0.00 0.00 61.69 59.97 1k3t s THR 252 Cb 0.19 -1.74 0.35 0.00 1.34 0.00 0.00 72.50 72.63 1k3t s THR 252 CO -0.06 0.17 1.69 1.55 -0.54 0.00 0.00 174.62 177.43 1k3t h PRO 253 N 4.41 0.00 -1.62 3.99 0.13 -1.91 -2.70 132.00 134.29 1k3t h PRO 253 Ca -0.47 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.83 1k3t h PRO 253 Cb 1.16 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.09 1k3t h PRO 253 CO 0.42 0.00 0.68 0.34 -0.23 0.00 0.00 178.00 179.20 1k3t s ASP 254 N -6.01 -0.25 0.00 1.44 2.15 -1.26 -4.75 116.67 108.00 1k3t s ASP 254 Ca 0.06 0.14 0.00 0.00 0.43 0.00 0.00 52.55 53.18 1k3t s ASP 254 Cb 0.06 0.23 0.00 0.00 -0.30 0.00 0.00 42.92 42.91 1k3t s ASP 254 CO 0.64 -0.33 0.00 0.52 -0.17 0.00 0.00 175.17 175.83 1k3t n VAL 255 N 0.23 -0.66 -4.33 1.11 0.31 -1.26 -4.85 118.33 108.87 1k3t n VAL 255 Ca -0.05 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.11 1k3t n VAL 255 Cb 0.59 -0.66 -0.10 0.00 -0.91 0.00 0.00 33.84 32.75 1k3t n VAL 255 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1k3t s SER 256 N -0.38 1.34 -0.11 4.52 0.01 0.59 -3.62 113.70 116.05 1k3t s SER 256 Ca 0.00 -1.39 -0.09 0.00 1.31 0.00 0.00 55.95 55.78 1k3t s SER 256 Cb 0.00 0.15 0.04 0.00 0.21 0.00 0.00 66.02 66.41 1k3t s SER 256 CO 0.00 -0.73 0.28 0.54 0.41 0.00 0.00 173.24 173.75 1k3t s VAL 257 N -3.70 -0.01 -0.20 3.43 0.11 -0.31 -1.88 120.40 117.85 1k3t s VAL 257 Ca 0.38 0.05 -0.10 0.00 -2.93 0.00 0.00 61.98 59.37 1k3t s VAL 257 Cb 0.08 -0.41 -0.05 0.00 -1.53 0.00 0.00 36.38 34.47 1k3t s VAL 257 CO 0.14 0.02 0.15 -0.69 -3.33 0.00 0.00 175.10 171.39 1k3t s VAL 258 N 0.56 5.40 -0.48 2.04 1.01 0.61 -0.17 120.40 129.37 1k3t s VAL 258 Ca -0.03 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.21 1k3t s VAL 258 Cb -0.05 -3.49 0.12 0.00 0.00 0.00 0.00 36.38 32.97 1k3t s VAL 258 CO -0.03 0.43 0.22 -0.62 0.00 0.00 0.00 175.10 175.10 1k3t s ASP 259 N 0.40 4.62 -0.21 3.32 2.15 0.20 -1.62 116.67 125.53 1k3t s ASP 259 Ca 0.09 -2.69 -0.12 0.00 0.43 0.00 0.00 52.55 50.26 1k3t s ASP 259 Cb -0.11 -1.68 -0.05 0.00 -0.30 0.00 0.00 42.92 40.78 1k3t s ASP 259 CO -0.01 -0.31 0.23 -0.22 -0.17 0.00 0.00 175.17 174.69 1k3t s LEU 260 N 0.16 4.17 -0.09 -1.34 2.96 -0.86 0.95 118.68 124.64 1k3t s LEU 260 Ca 0.15 0.30 0.03 0.00 -0.22 0.00 0.00 54.13 54.38 1k3t s LEU 260 Cb -0.23 -2.24 -0.01 0.00 0.50 0.00 0.00 46.19 44.21 1k3t s LEU 260 CO -0.03 0.07 -0.19 -0.89 -1.32 0.00 0.00 176.35 173.99 1k3t s THR 261 N 0.82 2.58 0.15 3.68 2.01 -0.17 0.46 115.64 125.16 1k3t s THR 261 Ca 0.12 -0.86 -0.12 0.00 0.31 0.00 0.00 61.69 61.14 1k3t s THR 261 Cb -0.13 -2.02 0.01 0.00 0.01 0.00 0.00 72.50 70.37 1k3t s THR 261 CO 0.03 0.55 0.34 0.72 -0.69 0.00 0.00 174.62 175.58 1k3t s PHE 262 N 0.04 0.12 -0.23 4.92 -0.71 0.19 -1.16 117.98 121.15 1k3t s PHE 262 Ca -0.07 -0.49 -0.05 0.00 -1.04 0.00 0.00 56.93 55.28 1k3t s PHE 262 Cb -0.15 0.10 -0.02 0.00 -1.21 0.00 0.00 43.02 41.75 1k3t s PHE 262 CO 0.05 -0.73 0.01 0.95 -1.34 0.00 0.00 175.22 174.16 1k3t s THR 263 N -3.90 3.81 0.52 -4.49 -4.23 0.15 -0.76 115.64 106.73 1k3t s THR 263 Ca 0.10 -0.34 -0.20 0.00 -1.18 0.00 0.00 61.69 60.07 1k3t s THR 263 Cb 0.02 -2.76 -0.07 0.00 1.34 0.00 0.00 72.50 71.04 1k3t s THR 263 CO -0.05 0.38 1.10 0.00 -0.54 0.00 0.00 174.62 175.51 1k3t s ALA 264 N 1.54 2.78 -0.91 3.99 0.00 0.03 -1.27 121.76 127.92 1k3t s ALA 264 Ca 0.06 0.75 0.22 0.00 0.00 0.00 0.00 51.96 52.99 1k3t s ALA 264 Cb -0.15 -3.32 0.92 0.00 0.00 0.00 0.00 23.12 20.57 1k3t s ALA 264 CO -0.00 -0.58 1.70 0.00 0.00 0.00 0.00 175.76 176.88 1k3t n ALA 265 N -1.12 1.98 -2.19 0.00 0.00 -0.14 -4.60 120.51 114.44 1k3t n ALA 265 Ca 0.10 -0.05 -0.11 0.00 0.00 0.00 0.00 53.44 53.38 1k3t n ALA 265 Cb 0.51 -1.37 -0.10 0.00 0.00 0.00 0.00 19.45 18.50 1k3t n ALA 265 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1k3t s ARG 266 N -3.05 1.04 0.06 0.00 1.70 -1.15 -5.00 118.95 112.54 1k3t s ARG 266 Ca 0.10 -1.51 -0.31 0.00 -0.47 0.00 0.00 55.73 53.54 1k3t s ARG 266 Cb 0.13 0.11 -0.07 0.00 -0.57 0.00 0.00 34.95 34.55 1k3t s ARG 266 CO 0.42 -0.26 1.50 -0.51 -1.08 0.00 0.00 175.30 175.37 1k3t s ASP 267 N -3.11 6.73 0.00 -2.89 1.11 -1.26 -4.80 116.67 112.45 1k3t s ASP 267 Ca 0.27 2.34 0.00 0.00 0.18 0.00 0.00 52.55 55.34 1k3t s ASP 267 Cb 0.07 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.49 1k3t s ASP 267 CO 0.04 -0.77 0.00 0.41 1.18 0.00 0.00 175.17 176.03 1k3t n THR 268 N 4.46 0.00 -3.56 -1.27 -1.04 0.20 -5.04 114.28 108.03 1k3t n THR 268 Ca 0.14 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.02 1k3t n THR 268 Cb 0.42 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.88 1k3t n THR 268 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1k3t s SER 269 N 1.00 -0.40 0.32 8.00 1.04 -1.26 -3.99 113.70 118.41 1k3t s SER 269 Ca 0.00 -0.01 0.03 0.00 0.48 0.00 0.00 55.95 56.44 1k3t s SER 269 Cb 0.00 0.51 0.56 0.00 0.10 0.00 0.00 66.02 67.18 1k3t s SER 269 CO 0.00 -0.81 1.88 -0.29 0.98 0.00 0.00 173.24 175.00 1k3t h ILE 270 N 2.50 1.20 -0.38 -1.02 6.09 -1.92 -1.89 117.51 122.09 1k3t h ILE 270 Ca -0.32 -0.71 0.02 0.00 -1.37 0.00 0.00 64.86 62.47 1k3t h ILE 270 Cb 1.25 0.77 -0.03 0.00 0.47 0.00 0.00 36.82 39.28 1k3t h ILE 270 CO 0.42 0.26 0.22 1.56 -3.07 0.00 0.00 178.15 177.54 1k3t h GLN 271 N 0.63 0.43 -0.64 2.19 7.50 -1.97 0.13 115.11 123.39 1k3t h GLN 271 Ca 0.14 -0.03 -0.07 0.00 0.50 0.00 0.00 58.65 59.20 1k3t h GLN 271 Cb 0.26 -0.10 -0.03 0.00 0.05 0.00 0.00 27.48 27.66 1k3t h GLN 271 CO -0.00 0.29 0.13 1.49 -1.50 0.00 0.00 178.83 179.23 1k3t h GLU 272 N 0.45 1.05 -0.22 1.46 4.81 -1.89 -1.86 114.58 118.38 1k3t h GLU 272 Ca 0.15 -0.27 -0.07 0.00 -0.13 0.00 0.00 59.36 59.05 1k3t h GLU 272 Cb 0.02 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1k3t h GLU 272 CO -0.08 0.96 -0.13 0.82 -0.73 0.00 0.00 179.01 179.86 1k3t h ILE 273 N 0.97 1.31 -0.84 2.32 2.04 -0.53 -2.66 117.51 120.12 1k3t h ILE 273 Ca 0.20 -1.22 0.14 0.00 1.00 0.00 0.00 64.86 64.98 1k3t h ILE 273 Cb 0.40 1.64 -0.09 0.00 -0.74 0.00 0.00 36.82 38.03 1k3t h ILE 273 CO 0.01 0.37 0.42 -0.78 0.00 0.00 0.00 178.15 178.18 1k3t h ASP 274 N 0.17 0.51 -0.34 1.72 3.58 -0.76 -1.26 116.42 120.04 1k3t h ASP 274 Ca 0.05 0.09 -0.10 0.00 0.42 0.00 0.00 57.03 57.49 1k3t h ASP 274 Cb 0.63 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.68 1k3t h ASP 274 CO 0.04 0.22 -0.13 0.00 -2.88 0.00 0.00 179.24 176.48 1k3t h ALA 275 N 1.55 0.97 -0.38 -0.78 0.00 -1.25 -2.25 119.26 117.12 1k3t h ALA 275 Ca 0.45 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1k3t h ALA 275 Cb 0.63 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1k3t h ALA 275 CO -0.36 0.61 -0.01 0.00 0.00 0.00 0.00 179.25 179.49 1k3t h ALA 276 N 1.15 0.51 -0.28 0.00 0.00 -1.08 0.23 119.26 119.78 1k3t h ALA 276 Ca 0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1k3t h ALA 276 Cb 0.62 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1k3t h ALA 276 CO 0.04 0.29 0.10 -0.07 0.00 0.00 0.00 179.25 179.61 1k3t h LEU 277 N 0.49 0.40 -0.65 0.00 3.38 -1.09 0.51 115.31 118.35 1k3t h LEU 277 Ca 0.11 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1k3t h LEU 277 Cb 0.48 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1k3t h LEU 277 CO 0.02 0.48 0.43 0.11 0.09 0.00 0.00 178.44 179.57 1k3t h LYS 278 N 0.30 0.85 -0.53 1.13 1.57 -1.33 -1.09 116.57 117.47 1k3t h LYS 278 Ca 0.09 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1k3t h LYS 278 Cb 0.22 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1k3t h LYS 278 CO -0.00 0.56 0.25 -0.09 -0.57 0.00 0.00 179.45 179.60 1k3t h ARG 279 N 0.87 0.76 -0.67 3.15 2.43 -0.73 -2.44 114.38 117.76 1k3t h ARG 279 Ca 0.24 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 1k3t h ARG 279 Cb -0.08 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.30 1k3t h ARG 279 CO -0.06 0.63 0.15 0.00 -1.51 0.00 0.00 179.97 179.18 1k3t h ALA 280 N 1.09 1.00 -0.09 2.80 0.00 -0.66 -2.48 119.26 120.94 1k3t h ALA 280 Ca 0.18 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1k3t h ALA 280 Cb 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1k3t h ALA 280 CO -0.02 0.65 -0.13 0.66 0.00 0.00 0.00 179.25 180.40 1k3t h SER 281 N 1.02 0.12 1.56 0.00 4.64 -0.88 0.18 113.55 120.19 1k3t h SER 281 Ca 0.21 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1k3t h SER 281 Cb 0.37 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1k3t h SER 281 CO 0.00 0.27 0.00 0.11 -0.87 0.00 0.00 176.83 176.35 1k3t h LYS 282 N 0.13 0.00 0.00 4.77 1.57 -1.15 -3.28 116.57 118.61 1k3t h LYS 282 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1k3t h LYS 282 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1k3t h LYS 282 CO 0.02 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.15 1k3t n THR 283 N -2.43 0.00 0.28 -0.16 -2.24 -0.24 -4.84 114.28 104.65 1k3t n THR 283 Ca 0.05 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.92 1k3t n THR 283 Cb 0.44 0.00 0.41 0.00 -2.10 0.00 0.00 70.33 69.09 1k3t n THR 283 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k3t n TYR 284 N 0.00 0.52 -0.67 4.78 4.11 -1.16 -1.35 117.16 123.40 1k3t n TYR 284 Ca 0.00 0.24 0.08 0.00 -0.00 0.00 0.00 57.90 58.22 1k3t n TYR 284 Cb 0.00 -0.88 0.29 0.00 -0.00 0.00 0.00 39.34 38.75 1k3t n TYR 284 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.86 175.53 1k3t n MET 285 N -2.01 3.44 -1.68 -3.48 2.81 0.47 -5.00 117.12 111.68 1k3t n MET 285 Ca 0.01 -2.73 -0.46 0.00 -1.81 0.00 0.00 57.70 52.71 1k3t n MET 285 Cb 0.12 -1.79 -0.04 0.00 -0.71 0.00 0.00 33.22 30.81 1k3t n MET 285 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1k3t n LYS 286 N 0.47 2.26 0.00 0.03 4.81 -0.45 -0.08 118.16 125.20 1k3t n LYS 286 Ca 0.22 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.48 1k3t n LYS 286 Cb 0.83 -2.61 0.00 0.00 0.02 0.00 0.00 35.03 33.26 1k3t n LYS 286 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1k3t n GLY 287 N 3.65 3.04 0.31 3.14 0.00 -1.26 -4.78 105.19 109.30 1k3t n GLY 287 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 1k3t n GLY 287 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1k3t n ILE 288 N -2.00 1.38 -3.79 -0.61 2.08 0.89 -4.38 119.36 112.92 1k3t n ILE 288 Ca 0.00 0.08 -0.36 0.00 0.56 0.00 0.00 62.75 63.02 1k3t n ILE 288 Cb 0.00 -2.09 -0.12 0.00 -0.75 0.00 0.00 39.64 36.69 1k3t n ILE 288 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1k3t s LEU 289 N -7.57 3.56 0.51 1.39 2.96 -0.19 -0.28 118.68 119.06 1k3t s LEU 289 Ca -0.24 -0.14 0.07 0.00 -0.22 0.00 0.00 54.13 53.59 1k3t s LEU 289 Cb 0.05 -1.95 0.03 0.00 0.50 0.00 0.00 46.19 44.82 1k3t s LEU 289 CO 0.34 -0.00 0.44 -0.83 -1.32 0.00 0.00 176.35 174.98 1k3t s GLY 290 N 1.43 2.22 0.13 7.98 0.00 0.10 -4.38 107.32 114.81 1k3t s GLY 290 Ca 0.06 -1.58 -0.05 0.00 0.00 0.00 0.00 44.72 43.15 1k3t s GLY 290 CO 0.04 -1.84 0.15 -2.52 0.00 0.00 0.00 173.10 168.93 1k3t s TYR 291 N -2.67 0.57 0.08 1.90 1.13 -1.26 -0.74 117.35 116.35 1k3t s TYR 291 Ca 0.42 -0.96 0.03 0.00 -1.41 0.00 0.00 57.07 55.15 1k3t s TYR 291 Cb -0.03 -0.26 -0.03 0.00 -1.10 0.00 0.00 41.96 40.54 1k3t s TYR 291 CO 0.25 -0.59 -0.10 -0.08 -2.51 0.00 0.00 175.55 172.52 1k3t s THR 292 N -3.99 0.86 -0.02 -3.49 -1.32 -0.14 -4.88 115.64 102.66 1k3t s THR 292 Ca 0.18 -1.47 0.03 0.00 -1.21 0.00 0.00 61.69 59.22 1k3t s THR 292 Cb 0.06 -1.15 0.04 0.00 -1.51 0.00 0.00 72.50 69.94 1k3t s THR 292 CO -0.01 -0.48 0.83 -0.90 -2.21 0.00 0.00 174.62 171.84 1k3t n ASP 293 N 0.86 0.88 -4.79 8.08 3.85 -1.26 -0.58 116.55 123.58 1k3t n ASP 293 Ca -0.18 -1.76 -0.23 0.00 -0.71 0.00 0.00 54.79 51.91 1k3t n ASP 293 Cb 0.57 -0.10 0.08 0.00 -1.35 0.00 0.00 41.12 40.32 1k3t n ASP 293 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1k3t s GLU 294 N -0.67 2.00 -1.26 0.11 2.02 -1.26 -4.64 118.70 114.99 1k3t s GLU 294 Ca 0.04 -0.90 -0.06 0.00 0.02 0.00 0.00 54.97 54.07 1k3t s GLU 294 Cb 0.04 -2.36 0.17 0.00 0.10 0.00 0.00 34.13 32.08 1k3t s GLU 294 CO 0.00 -1.20 2.14 0.39 0.02 0.00 0.00 175.26 176.62 1k3t n GLU 295 N -2.70 4.47 -3.25 1.61 -0.58 -1.26 -4.79 120.64 114.14 1k3t n GLU 295 Ca 0.12 -3.70 -0.32 0.00 -0.42 0.00 0.00 57.16 52.84 1k3t n GLU 295 Cb 0.60 -2.67 -0.06 0.00 -0.57 0.00 0.00 31.44 28.75 1k3t n GLU 295 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1k3t s LEU 296 N -1.99 4.10 0.36 -4.62 1.43 -1.26 -5.10 118.68 111.60 1k3t s LEU 296 Ca 0.47 1.09 0.08 0.00 -1.03 0.00 0.00 54.13 54.75 1k3t s LEU 296 Cb 0.16 -3.88 -0.07 0.00 0.03 0.00 0.00 46.19 42.42 1k3t s LEU 296 CO -0.06 -0.16 -0.06 0.68 0.23 0.00 0.00 176.35 176.98 1k3t s VAL 297 N -1.93 2.12 0.29 -1.59 -7.23 -1.26 -5.04 120.40 105.76 1k3t s VAL 297 Ca 0.51 -2.13 0.04 0.00 -1.81 0.00 0.00 61.98 58.59 1k3t s VAL 297 Cb -0.11 -2.75 0.28 0.00 0.56 0.00 0.00 36.38 34.36 1k3t s VAL 297 CO 0.20 -0.14 1.75 0.77 -0.31 0.00 0.00 175.10 177.37 1k3t h SER 298 N 1.95 0.60 0.02 4.85 4.64 -1.97 -1.01 113.55 122.64 1k3t h SER 298 Ca -0.43 0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1k3t h SER 298 Cb 1.25 0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1k3t h SER 298 CO 0.74 0.17 -0.01 0.00 -0.87 0.00 0.00 176.83 176.85 1k3t h ALA 299 N 1.65 1.65 0.00 5.18 0.00 -1.97 -1.16 119.26 124.61 1k3t h ALA 299 Ca 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1k3t h ALA 299 Cb 0.93 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1k3t h ALA 299 CO -0.43 0.02 0.00 -0.25 0.00 0.00 0.00 179.25 178.59 1k3t n ASP 300 N -4.04 0.52 -0.80 0.00 8.00 -0.38 -2.23 116.55 117.62 1k3t n ASP 300 Ca -0.03 0.64 0.12 0.00 0.71 0.00 0.00 54.79 56.23 1k3t n ASP 300 Cb 0.10 -0.75 0.13 0.00 -0.02 0.00 0.00 41.12 40.58 1k3t n ASP 300 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1k3t n PHE 301 N -2.09 0.00 -1.71 1.24 3.01 -0.44 -4.87 117.46 112.61 1k3t n PHE 301 Ca 0.02 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.05 1k3t n PHE 301 Cb 0.20 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.64 1k3t n PHE 301 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1k3t n ILE 302 N 0.90 0.05 -1.18 4.37 5.41 -0.95 -0.46 119.36 127.50 1k3t n ILE 302 Ca 0.13 -0.01 -0.06 0.00 1.00 0.00 0.00 62.75 63.81 1k3t n ILE 302 Cb 0.54 -1.88 -0.03 0.00 -0.71 0.00 0.00 39.64 37.56 1k3t n ILE 302 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1k3t n ASN 303 N 3.77 -4.42 -4.68 4.38 3.02 -1.26 -5.00 115.26 111.07 1k3t n ASN 303 Ca 0.16 0.15 -0.42 0.00 -0.03 0.00 0.00 54.58 54.43 1k3t n ASN 303 Cb 0.34 -2.45 -0.03 0.00 -0.61 0.00 0.00 39.78 37.03 1k3t n ASN 303 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1k3t s ASP 304 N -2.49 7.13 0.00 6.41 -1.08 0.40 -4.90 116.67 122.14 1k3t s ASP 304 Ca 0.00 1.66 0.29 0.00 -0.52 0.00 0.00 52.55 53.98 1k3t s ASP 304 Cb 0.00 -2.56 1.27 0.00 -1.46 0.00 0.00 42.92 40.17 1k3t s ASP 304 CO 0.00 -0.54 1.91 0.59 0.52 0.00 0.00 175.17 177.65 1k3t n ASN 305 N 5.25 0.17 -4.77 -0.34 3.02 -1.26 -3.54 115.26 113.79 1k3t n ASN 305 Ca 0.10 -0.09 -0.31 0.00 -0.03 0.00 0.00 54.58 54.26 1k3t n ASN 305 Cb 0.47 -0.24 0.09 0.00 -0.61 0.00 0.00 39.78 39.50 1k3t n ASN 305 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1k3t s ARG 306 N -2.71 2.20 0.28 3.52 3.00 -1.26 -4.44 118.95 119.54 1k3t s ARG 306 Ca 0.23 1.09 0.14 0.00 0.00 0.00 0.00 55.73 57.18 1k3t s ARG 306 Cb 0.20 -1.90 0.27 0.00 0.00 0.00 0.00 34.95 33.52 1k3t s ARG 306 CO 0.51 -1.66 1.54 0.77 0.00 0.00 0.00 175.30 176.46 1k3t h SER 307 N -1.14 0.00 -3.16 0.23 0.02 -0.85 -3.39 113.55 105.27 1k3t h SER 307 Ca -0.44 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.49 1k3t h SER 307 Cb 1.24 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.55 1k3t h SER 307 CO 0.53 0.58 -0.04 -0.55 -1.14 0.00 0.00 176.83 176.21 1k3t s SER 308 N -6.56 -0.83 -0.32 3.07 0.15 -0.94 -3.43 113.70 104.83 1k3t s SER 308 Ca 0.01 1.37 0.00 0.00 0.70 0.00 0.00 55.95 58.04 1k3t s SER 308 Cb 0.10 1.26 0.10 0.00 -1.71 0.00 0.00 66.02 65.78 1k3t s SER 308 CO 0.74 -0.23 0.10 -0.63 1.20 0.00 0.00 173.24 174.42 1k3t s ILE 309 N 1.44 1.11 0.17 6.45 1.09 -0.13 0.03 121.20 131.35 1k3t s ILE 309 Ca -0.09 -1.60 -0.31 0.00 -1.10 0.00 0.00 60.65 57.55 1k3t s ILE 309 Cb -0.06 -1.83 -0.09 0.00 -1.06 0.00 0.00 42.46 39.42 1k3t s ILE 309 CO -0.16 -0.68 1.47 -0.47 -0.10 0.00 0.00 174.94 175.00 1k3t s TYR 310 N 1.44 3.12 -0.72 3.97 5.04 0.08 -0.50 117.35 129.78 1k3t s TYR 310 Ca 0.10 0.85 -0.18 0.00 -2.44 0.00 0.00 57.07 55.40 1k3t s TYR 310 Cb -0.18 -3.81 0.13 0.00 0.35 0.00 0.00 41.96 38.45 1k3t s TYR 310 CO -0.21 -2.84 0.84 0.34 -1.34 0.00 0.00 175.55 172.34 1k3t s ASP 311 N 0.91 6.40 0.21 4.32 -1.08 -0.19 -0.97 116.67 126.26 1k3t s ASP 311 Ca 0.65 -1.78 -0.05 0.00 -0.52 0.00 0.00 52.55 50.86 1k3t s ASP 311 Cb -0.41 -2.32 0.17 0.00 -1.46 0.00 0.00 42.92 38.91 1k3t s ASP 311 CO 0.34 -1.03 1.62 -1.28 0.52 0.00 0.00 175.17 175.33 1k3t h SER 312 N 8.88 0.78 0.18 -0.34 0.87 -1.14 -1.88 113.55 120.91 1k3t h SER 312 Ca -0.11 -0.29 -0.15 0.00 -1.23 0.00 0.00 61.79 60.01 1k3t h SER 312 Cb 1.06 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.80 1k3t h SER 312 CO 1.05 1.00 -0.57 0.11 -0.53 0.00 0.00 176.83 177.89 1k3t h LYS 313 N 0.66 0.40 -0.27 2.24 1.79 -1.82 -0.61 116.57 118.96 1k3t h LYS 313 Ca 0.09 -0.26 -0.13 0.00 -2.18 0.00 0.00 60.65 58.17 1k3t h LYS 313 Cb 0.77 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.44 1k3t h LYS 313 CO 0.06 0.86 -0.36 0.00 -1.08 0.00 0.00 179.45 178.93 1k3t h ALA 314 N 1.09 0.87 -0.04 3.86 0.00 -1.91 -1.15 119.26 121.97 1k3t h ALA 314 Ca 0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 1k3t h ALA 314 Cb 1.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1k3t h ALA 314 CO 0.10 0.63 -0.24 1.15 0.00 0.00 0.00 179.25 180.89 1k3t h THR 315 N 0.51 1.47 -0.30 0.00 2.02 -1.09 -3.20 112.91 112.32 1k3t h THR 315 Ca 0.05 -1.73 -0.10 0.00 0.77 0.00 0.00 66.41 65.41 1k3t h THR 315 Cb 0.85 2.46 -0.01 0.00 -1.74 0.00 0.00 68.15 69.71 1k3t h THR 315 CO 0.07 0.48 -0.22 -0.07 0.37 0.00 0.00 175.52 176.15 1k3t h LEU 316 N -0.32 0.56 -0.21 2.58 3.38 -1.12 -3.11 115.31 117.07 1k3t h LEU 316 Ca -0.02 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1k3t h LEU 316 Cb 0.91 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1k3t h LEU 316 CO 0.05 0.79 0.00 1.56 0.09 0.00 0.00 178.44 180.93 1k3t h GLN 317 N 0.50 0.00 -0.03 1.13 4.20 -1.31 -3.36 115.11 116.24 1k3t h GLN 317 Ca 0.08 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 1k3t h GLN 317 Cb 0.66 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.38 1k3t h GLN 317 CO 0.05 0.00 -0.58 0.09 -0.67 0.00 0.00 178.83 177.72 1k3t n ASN 318 N -2.52 1.75 -4.61 1.46 3.02 -1.17 -5.04 115.26 108.15 1k3t n ASN 318 Ca 0.04 -3.68 -0.26 0.00 -0.03 0.00 0.00 54.58 50.65 1k3t n ASN 318 Cb 0.42 -0.50 -0.10 0.00 -0.61 0.00 0.00 39.78 38.99 1k3t n ASN 318 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1k3t s ASN 319 N -3.12 3.97 -0.08 6.41 0.01 -1.25 -4.90 114.94 115.99 1k3t s ASN 319 Ca 0.38 -1.20 -0.28 0.00 -0.71 0.00 0.00 52.86 51.05 1k3t s ASN 319 Cb 0.37 -0.42 -0.02 0.00 0.41 0.00 0.00 41.25 41.59 1k3t s ASN 319 CO -0.08 -0.34 0.93 -0.76 -1.51 0.00 0.00 177.10 175.34 1k3t s LEU 320 N -3.70 4.28 0.19 0.60 1.43 -1.26 -4.99 118.68 115.22 1k3t s LEU 320 Ca 0.35 1.46 -0.33 0.00 -1.03 0.00 0.00 54.13 54.58 1k3t s LEU 320 Cb 0.05 -3.44 -0.14 0.00 0.03 0.00 0.00 46.19 42.69 1k3t s LEU 320 CO 0.18 -0.34 1.51 -2.65 0.23 0.00 0.00 176.35 175.29 1k3t n PRO 321 N 4.53 2.10 -0.95 1.29 -0.02 -1.26 -1.31 135.00 139.38 1k3t n PRO 321 Ca 0.06 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1k3t n PRO 321 Cb 0.50 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1k3t n PRO 321 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1k3t n LYS 322 N 2.84 -1.79 -1.59 -0.52 5.02 -1.26 -4.95 118.16 115.91 1k3t n LYS 322 Ca 0.15 0.45 -0.34 0.00 -2.02 0.00 0.00 58.31 56.54 1k3t n LYS 322 Cb 0.30 -4.92 0.07 0.00 -0.02 0.00 0.00 35.03 30.46 1k3t n LYS 322 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1k3t s GLU 323 N -1.88 2.40 -0.00 1.97 2.56 -0.43 -4.94 118.70 118.39 1k3t s GLU 323 Ca 0.00 1.72 0.02 0.00 0.00 0.00 0.00 54.97 56.71 1k3t s GLU 323 Cb 0.00 -1.87 -0.03 0.00 2.00 0.00 0.00 34.13 34.23 1k3t s GLU 323 CO 0.00 -1.63 0.06 0.54 -0.56 0.00 0.00 175.26 173.68 1k3t n ARG 324 N -2.45 2.33 0.00 4.30 1.74 -1.26 -4.25 116.66 117.07 1k3t n ARG 324 Ca 0.13 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 1k3t n ARG 324 Cb 0.50 -0.89 0.00 0.00 -1.02 0.00 0.00 32.46 31.06 1k3t n ARG 324 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1k3t n ARG 325 N -1.38 0.00 -3.13 5.56 5.12 -1.26 0.58 116.66 122.15 1k3t n ARG 325 Ca -0.00 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.49 1k3t n ARG 325 Cb 0.05 -0.42 -0.07 0.00 -1.16 0.00 0.00 32.46 30.86 1k3t n ARG 325 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1k3t s PHE 326 N -1.87 3.09 0.18 -1.55 5.36 -1.26 -0.79 117.98 121.13 1k3t s PHE 326 Ca 0.00 0.00 0.03 0.00 -0.96 0.00 0.00 56.93 56.00 1k3t s PHE 326 Cb 0.00 -3.26 -0.05 0.00 -0.34 0.00 0.00 43.02 39.37 1k3t s PHE 326 CO 0.00 -0.80 -0.04 -0.06 -1.46 0.00 0.00 175.22 172.86 1k3t s PHE 327 N 2.73 1.30 -0.13 10.12 0.08 0.06 -4.78 117.98 127.37 1k3t s PHE 327 Ca 0.22 -0.90 0.02 0.00 0.12 0.00 0.00 56.93 56.39 1k3t s PHE 327 Cb -0.14 -0.72 0.01 0.00 -0.57 0.00 0.00 43.02 41.60 1k3t s PHE 327 CO 0.18 -0.06 -0.18 0.21 -0.10 0.00 0.00 175.22 175.26 1k3t s LYS 328 N -3.84 2.59 -0.12 0.44 2.20 -1.26 0.55 119.74 120.30 1k3t s LYS 328 Ca 0.22 -0.70 0.03 0.00 -0.36 0.00 0.00 55.97 55.16 1k3t s LYS 328 Cb 0.05 -2.16 0.01 0.00 -1.51 0.00 0.00 37.83 34.22 1k3t s LYS 328 CO 0.04 -0.05 -0.21 0.42 -0.36 0.00 0.00 175.35 175.18 1k3t s ILE 329 N 0.94 1.92 -0.21 5.43 1.01 0.17 -4.85 121.20 125.62 1k3t s ILE 329 Ca -0.06 -0.91 -0.08 0.00 0.00 0.00 0.00 60.65 59.60 1k3t s ILE 329 Cb -0.15 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 1k3t s ILE 329 CO -0.02 0.53 0.08 -0.69 0.00 0.00 0.00 174.94 174.83 1k3t s VAL 330 N 0.71 4.80 -0.06 2.92 1.01 -1.26 -2.02 120.40 126.50 1k3t s VAL 330 Ca -0.11 -0.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 1k3t s VAL 330 Cb -0.16 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.04 1k3t s VAL 330 CO 0.01 0.41 0.16 -0.55 0.00 0.00 0.00 175.10 175.13 1k3t s SER 331 N 0.79 -0.16 0.46 3.32 0.15 -0.64 -1.02 113.70 116.58 1k3t s SER 331 Ca 0.04 0.33 0.03 0.00 0.70 0.00 0.00 55.95 57.05 1k3t s SER 331 Cb -0.13 0.31 0.01 0.00 -1.71 0.00 0.00 66.02 64.49 1k3t s SER 331 CO 0.02 -0.08 0.65 0.26 1.20 0.00 0.00 173.24 175.29 1k3t s TRP 332 N 0.34 3.02 -0.25 3.44 0.52 0.35 -0.28 118.94 126.07 1k3t s TRP 332 Ca -0.02 -0.03 -0.26 0.00 0.02 0.00 0.00 56.10 55.81 1k3t s TRP 332 Cb -0.03 -2.41 0.10 0.00 -1.15 0.00 0.00 33.47 29.98 1k3t s TRP 332 CO -0.01 -0.47 0.89 1.52 0.02 0.00 0.00 176.95 178.89 1k3t s TYR 333 N -2.52 -0.60 -0.80 -1.98 1.13 -0.79 -0.96 117.35 110.84 1k3t s TYR 333 Ca 0.52 1.41 -0.20 0.00 -1.41 0.00 0.00 57.07 57.39 1k3t s TYR 333 Cb -0.10 0.34 0.11 0.00 -1.10 0.00 0.00 41.96 41.21 1k3t s TYR 333 CO 0.36 -0.32 1.01 0.34 -2.51 0.00 0.00 175.55 174.43 1k3t s ASP 334 N 0.10 6.44 0.32 -0.18 -1.08 -1.26 -0.30 116.67 120.71 1k3t s ASP 334 Ca 0.01 -1.69 0.09 0.00 -0.52 0.00 0.00 52.55 50.44 1k3t s ASP 334 Cb -0.04 -2.38 0.93 0.00 -1.46 0.00 0.00 42.92 39.96 1k3t s ASP 334 CO -0.02 -1.16 1.64 -0.55 0.52 0.00 0.00 175.17 175.60 1k3t h ASN 335 N 9.05 0.22 0.66 -0.34 -1.07 -1.90 -2.51 115.58 119.69 1k3t h ASN 335 Ca -0.03 0.21 -0.03 0.00 0.07 0.00 0.00 56.30 56.51 1k3t h ASN 335 Cb 1.05 0.23 0.01 0.00 -2.07 0.00 0.00 38.32 37.53 1k3t h ASN 335 CO 1.11 -0.18 -0.32 -0.33 0.07 0.00 0.00 177.43 177.79 1k3t h GLU 336 N 0.23 -0.85 0.39 4.14 5.08 -1.99 -3.38 114.58 118.21 1k3t h GLU 336 Ca 0.66 0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 59.06 1k3t h GLU 336 Cb 1.46 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.91 1k3t h GLU 336 CO -0.66 -0.57 -0.19 2.35 -1.00 0.00 0.00 179.01 178.95 1k3t h TRP 337 N -1.20 -0.48 -0.14 4.33 2.91 -1.81 -2.69 115.95 116.87 1k3t h TRP 337 Ca -0.09 -0.01 0.03 0.00 1.13 0.00 0.00 58.89 59.94 1k3t h TRP 337 Cb 0.68 0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 29.46 1k3t h TRP 337 CO 0.01 -0.16 -0.02 0.78 -1.03 0.00 0.00 178.44 178.02 1k3t h GLY 338 N -0.96 0.12 0.45 2.65 0.00 -1.50 -2.51 103.07 101.32 1k3t h GLY 338 Ca -0.05 0.03 0.13 0.00 0.00 0.00 0.00 47.33 47.43 1k3t h GLY 338 CO 0.09 -0.04 0.63 -1.82 0.00 0.00 0.00 176.54 175.40 1k3t h TYR 339 N 0.02 1.13 -0.28 5.60 5.03 -1.73 -1.17 116.97 125.56 1k3t h TYR 339 Ca 0.07 0.03 -0.13 0.00 2.58 0.00 0.00 58.73 61.28 1k3t h TYR 339 Cb 0.09 -0.36 -0.01 0.00 1.55 0.00 0.00 36.73 38.01 1k3t h TYR 339 CO -0.16 0.43 -0.35 0.77 -1.32 0.00 0.00 178.16 177.53 1k3t h SER 340 N 0.97 0.64 -0.50 -2.11 0.02 -1.10 -2.27 113.55 109.20 1k3t h SER 340 Ca 0.50 -0.27 -0.05 0.00 -0.84 0.00 0.00 61.79 61.14 1k3t h SER 340 Cb 0.53 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 1k3t h SER 340 CO -0.27 0.94 0.15 0.45 -1.14 0.00 0.00 176.83 176.96 1k3t h HIS 341 N 0.52 0.86 0.00 3.45 3.86 -1.07 -2.49 115.15 120.27 1k3t h HIS 341 Ca 0.05 -0.07 -0.08 0.00 -1.16 0.00 0.00 60.37 59.11 1k3t h HIS 341 Cb 0.85 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 1k3t h HIS 341 CO 0.04 0.71 -0.40 0.00 0.86 0.00 0.00 177.93 179.13 1k3t h ARG 342 N 0.81 0.00 -0.28 2.45 2.47 -0.83 -1.00 114.38 117.99 1k3t h ARG 342 Ca 0.18 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.88 1k3t h ARG 342 Cb 0.27 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.58 1k3t h ARG 342 CO -0.01 0.40 0.09 0.28 0.56 0.00 0.00 179.97 181.29 1k3t h VAL 343 N 0.00 1.20 -0.27 2.04 2.07 -0.98 0.75 116.25 121.06 1k3t h VAL 343 Ca -0.00 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 66.91 1k3t h VAL 343 Cb 0.75 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1k3t h VAL 343 CO 0.05 0.21 0.12 0.58 0.02 0.00 0.00 177.57 178.55 1k3t h VAL 344 N 0.29 0.97 -0.41 2.57 2.07 -1.25 -1.94 116.25 118.55 1k3t h VAL 344 Ca 0.09 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1k3t h VAL 344 Cb 0.23 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1k3t h VAL 344 CO -0.00 0.05 0.27 0.44 0.02 0.00 0.00 177.57 178.34 1k3t h ASP 345 N 0.26 0.48 -0.54 0.57 3.32 -0.73 -1.67 116.42 118.10 1k3t h ASP 345 Ca 0.11 -0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.19 1k3t h ASP 345 Cb 0.05 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.43 1k3t h ASP 345 CO -0.09 0.35 0.27 0.25 -1.72 0.00 0.00 179.24 178.30 1k3t h LEU 346 N 0.55 0.39 -0.60 1.55 5.85 -0.53 -0.95 115.31 121.57 1k3t h LEU 346 Ca 0.15 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.93 1k3t h LEU 346 Cb -0.05 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 1k3t h LEU 346 CO -0.03 0.26 0.36 0.58 -0.34 0.00 0.00 178.44 179.27 1k3t h VAL 347 N 0.52 1.05 -0.49 1.05 2.07 -1.02 -0.29 116.25 119.14 1k3t h VAL 347 Ca 0.24 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 1k3t h VAL 347 Cb 0.16 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1k3t h VAL 347 CO -0.17 0.13 -0.03 0.03 0.02 0.00 0.00 177.57 177.54 1k3t h ARG 348 N 0.70 0.89 0.19 1.57 3.08 -0.91 0.11 114.38 120.02 1k3t h ARG 348 Ca 0.24 -0.30 0.01 0.00 0.07 0.00 0.00 59.98 60.00 1k3t h ARG 348 Cb 0.04 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 1k3t h ARG 348 CO -0.11 0.94 -0.29 1.25 -1.07 0.00 0.00 179.97 180.69 1k3t h HIS 349 N 0.74 -0.77 -0.39 3.04 2.76 -0.73 0.01 115.15 119.81 1k3t h HIS 349 Ca 0.13 0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.38 1k3t h HIS 349 Cb 0.56 0.31 -0.06 0.00 1.55 0.00 0.00 27.41 29.78 1k3t h HIS 349 CO 0.04 -0.40 0.03 0.52 -1.30 0.00 0.00 177.93 176.82 1k3t h MET 350 N -0.55 0.14 -0.53 5.26 2.86 -0.96 0.44 114.93 121.59 1k3t h MET 350 Ca 0.01 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1k3t h MET 350 Cb 0.54 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 1k3t h MET 350 CO -0.12 0.09 0.24 0.00 1.06 0.00 0.00 176.91 178.18 1k3t h ALA 351 N 1.32 0.68 -0.22 6.32 0.00 -0.50 0.30 119.26 127.16 1k3t h ALA 351 Ca 0.19 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1k3t h ALA 351 Cb 0.26 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1k3t h ALA 351 CO -0.29 0.26 0.13 0.66 0.00 0.00 0.00 179.25 180.01 1k3t h SER 352 N 0.71 0.27 -0.61 0.00 4.64 -0.56 -2.30 113.55 115.70 1k3t h SER 352 Ca 0.18 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1k3t h SER 352 Cb 0.14 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.13 1k3t h SER 352 CO -0.02 0.25 0.39 0.11 -0.87 0.00 0.00 176.83 176.69 1k3t h LYS 353 N 0.27 0.82 -0.42 4.77 1.79 -0.52 -1.83 116.57 121.45 1k3t h LYS 353 Ca 0.08 -0.06 -0.14 0.00 -2.18 0.00 0.00 60.65 58.36 1k3t h LYS 353 Cb 0.02 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.48 1k3t h LYS 353 CO -0.01 0.56 -0.27 -0.44 -1.08 0.00 0.00 179.45 178.21 1k3t h ASP 354 N 0.84 0.97 -0.07 0.86 3.32 -0.81 -0.43 116.42 121.10 1k3t h ASP 354 Ca 0.22 -0.42 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 1k3t h ASP 354 Cb -0.07 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.21 1k3t h ASP 354 CO -0.05 1.18 0.04 0.03 -1.72 0.00 0.00 179.24 178.73 1k3t h ARG 355 N 0.76 0.10 -0.47 3.56 3.08 -1.21 -2.58 114.38 117.62 1k3t h ARG 355 Ca 0.09 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 1k3t h ARG 355 Cb 0.85 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 1k3t h ARG 355 CO 0.07 0.12 0.12 0.77 -1.07 0.00 0.00 179.97 179.99 1k3t h SER 356 N 0.05 0.65 0.42 7.04 0.02 -1.27 -2.70 113.55 117.76 1k3t h SER 356 Ca 0.03 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1k3t h SER 356 Cb 0.05 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1k3t h SER 356 CO -0.00 0.64 0.00 0.00 -1.14 0.00 0.00 176.83 176.33 1k3t n ALA 357 N -2.47 1.80 -0.02 3.77 0.00 -0.18 -3.49 120.51 119.93 1k3t n ALA 357 Ca 0.03 -0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.46 1k3t n ALA 357 Cb 0.20 -1.26 -0.13 0.00 0.00 0.00 0.00 19.45 18.27 1k3t n ALA 357 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1k3t n ARG 358 N -1.39 0.66 0.00 0.00 1.74 -1.02 -5.06 116.66 111.58 1k3t n ARG 358 Ca 0.06 -0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 1k3t n ARG 358 Cb 0.16 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 1k3t n ARG 358 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39