#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 4.39 0.30 0.03 0.04 -1.26 -4.96 135.00 133.54 1k3t s PRO 2 Ca 0.00 2.15 -0.04 0.00 0.04 0.00 0.00 61.00 63.15 1k3t s PRO 2 Cb 0.00 -3.10 -0.05 0.00 0.04 0.00 0.00 34.50 31.39 1k3t s PRO 2 CO 0.00 -0.16 0.56 0.96 0.04 0.00 0.00 177.00 178.40 1k3t s ILE 3 N -0.92 5.04 -0.41 0.56 -4.36 -0.13 -4.79 121.20 116.19 1k3t s ILE 3 Ca 0.50 -0.03 -0.16 0.00 -0.26 0.00 0.00 60.65 60.70 1k3t s ILE 3 Cb -0.39 -3.76 0.02 0.00 1.25 0.00 0.00 42.46 39.59 1k3t s ILE 3 CO 0.49 -0.38 0.35 -0.54 0.24 0.00 0.00 174.94 175.10 1k3t s LYS 4 N -3.72 3.02 0.01 0.37 1.02 -1.26 0.78 119.74 119.97 1k3t s LYS 4 Ca 0.43 -0.92 0.03 0.00 0.02 0.00 0.00 55.97 55.53 1k3t s LYS 4 Cb -0.10 -3.97 -0.03 0.00 -0.52 0.00 0.00 37.83 33.20 1k3t s LYS 4 CO 0.32 -0.78 -0.06 0.08 -0.92 0.00 0.00 175.35 173.98 1k3t s VAL 5 N 1.84 3.70 0.11 3.17 1.01 0.19 -1.28 120.40 129.13 1k3t s VAL 5 Ca 0.07 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.34 1k3t s VAL 5 Cb -0.18 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1k3t s VAL 5 CO 0.11 0.36 -0.19 -0.83 0.00 0.00 0.00 175.10 174.56 1k3t s GLY 6 N -1.52 1.22 -0.22 4.51 0.00 -0.50 0.44 107.32 111.26 1k3t s GLY 6 Ca 0.18 -1.28 0.02 0.00 0.00 0.00 0.00 44.72 43.64 1k3t s GLY 6 CO 0.09 -1.30 -0.13 -0.42 0.00 0.00 0.00 173.10 171.34 1k3t s ILE 7 N -1.45 1.94 -0.33 0.90 1.01 -0.82 -0.94 121.20 121.52 1k3t s ILE 7 Ca 0.08 -1.22 -0.22 0.00 0.00 0.00 0.00 60.65 59.29 1k3t s ILE 7 Cb -0.09 -1.96 -0.00 0.00 0.01 0.00 0.00 42.46 40.43 1k3t s ILE 7 CO 0.04 0.19 0.70 0.21 0.00 0.00 0.00 174.94 176.09 1k3t s ASN 8 N 1.26 6.53 0.00 3.58 3.04 0.97 -0.48 114.94 129.84 1k3t s ASN 8 Ca -0.02 0.40 0.00 0.00 0.04 0.00 0.00 52.86 53.28 1k3t s ASN 8 Cb -0.17 -2.36 0.00 0.00 -1.54 0.00 0.00 41.25 37.18 1k3t s ASN 8 CO -0.08 -0.59 0.00 0.61 -3.04 0.00 0.00 177.10 174.00 1k3t n GLY 9 N 4.45 1.20 2.39 1.21 0.00 0.29 -0.99 105.19 113.73 1k3t n GLY 9 Ca 0.01 -1.14 -0.25 0.00 0.00 0.00 0.00 46.02 44.64 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 2.94 3.08 -0.49 1.61 7.35 -1.14 -4.31 117.46 126.50 1k3t n PHE 10 Ca 0.00 -2.86 0.00 0.00 -0.76 0.00 0.00 57.45 53.83 1k3t n PHE 10 Cb 0.00 -0.16 0.00 0.00 0.35 0.00 0.00 39.48 39.67 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 -0.51 -0.62 0.31 7.13 0.00 -1.26 -4.63 105.19 105.61 1k3t n GLY 11 Ca 0.38 -1.68 -0.03 0.00 0.00 0.00 0.00 46.02 44.68 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 0.92 -0.08 1.61 2.43 -1.96 -1.31 114.38 115.99 1k3t h ARG 12 Ca 0.00 -0.17 -0.23 0.00 -0.81 0.00 0.00 59.98 58.77 1k3t h ARG 12 Cb 0.00 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1k3t h ARG 12 CO 0.00 0.79 -0.86 0.97 -1.51 0.00 0.00 179.97 179.36 1k3t h ILE 13 N 0.89 1.31 -0.04 1.20 6.09 -1.93 -1.72 117.51 123.31 1k3t h ILE 13 Ca 0.20 -2.13 -0.00 0.00 -1.37 0.00 0.00 64.86 61.56 1k3t h ILE 13 Cb 0.25 2.15 -0.00 0.00 0.47 0.00 0.00 36.82 39.69 1k3t h ILE 13 CO -0.01 0.66 0.01 1.23 -3.07 0.00 0.00 178.15 176.97 1k3t h GLY 14 N 0.75 0.06 0.82 8.18 0.00 -1.74 -0.72 103.07 110.43 1k3t h GLY 14 Ca -0.07 -0.04 0.09 0.00 0.00 0.00 0.00 47.33 47.32 1k3t h GLY 14 CO 0.17 0.03 0.53 -0.09 0.00 0.00 0.00 176.54 177.18 1k3t h ARG 15 N -0.11 0.76 -0.01 4.80 2.43 -1.18 -1.45 114.38 119.61 1k3t h ARG 15 Ca 0.01 -0.05 -0.20 0.00 -0.81 0.00 0.00 59.98 58.94 1k3t h ARG 15 Cb 0.18 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1k3t h ARG 15 CO -0.00 0.50 -0.84 0.52 -1.51 0.00 0.00 179.97 178.64 1k3t h MET 16 N 0.79 0.26 -0.34 0.20 2.86 -1.07 0.12 114.93 117.75 1k3t h MET 16 Ca 0.38 -0.26 -0.03 0.00 -2.06 0.00 0.00 59.70 57.72 1k3t h MET 16 Cb 0.41 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1k3t h MET 16 CO -0.15 0.96 0.10 0.28 1.06 0.00 0.00 176.91 179.17 1k3t h VAL 17 N 0.16 1.21 -0.55 -2.22 2.07 -0.76 0.22 116.25 116.37 1k3t h VAL 17 Ca -0.04 -0.68 -0.10 0.00 0.82 0.00 0.00 66.70 66.69 1k3t h VAL 17 Cb 1.45 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 1k3t h VAL 17 CO 0.13 0.23 -0.04 0.15 0.02 0.00 0.00 177.57 178.06 1k3t h PHE 18 N 0.39 1.08 -0.64 1.57 3.04 -1.13 -0.36 116.94 120.90 1k3t h PHE 18 Ca 0.11 -0.19 -0.06 0.00 3.98 0.00 0.00 57.97 61.80 1k3t h PHE 18 Cb 0.26 -0.28 -0.03 0.00 2.56 0.00 0.00 35.95 38.46 1k3t h PHE 18 CO 0.01 0.98 0.16 1.96 -2.02 0.00 0.00 178.31 179.39 1k3t h GLN 19 N 0.89 1.02 -0.02 1.11 7.50 -0.46 -1.32 115.11 123.83 1k3t h GLN 19 Ca 0.15 -0.24 -0.00 0.00 0.50 0.00 0.00 58.65 59.06 1k3t h GLN 19 Cb 0.58 -0.13 -0.00 0.00 0.05 0.00 0.00 27.48 27.98 1k3t h GLN 19 CO 0.04 0.92 0.01 0.00 -1.50 0.00 0.00 178.83 178.30 1k3t h ALA 20 N 1.05 0.03 -0.49 3.87 0.00 -0.10 0.66 119.26 124.28 1k3t h ALA 20 Ca 0.20 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.19 1k3t h ALA 20 Cb 0.36 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.05 1k3t h ALA 20 CO 0.00 -0.45 -0.06 1.25 0.00 0.00 0.00 179.25 179.99 1k3t h LEU 21 N 0.00 -0.34 -0.23 0.00 6.46 -0.77 -0.93 115.31 119.49 1k3t h LEU 21 Ca 0.01 0.13 0.04 0.00 -0.12 0.00 0.00 57.88 57.95 1k3t h LEU 21 Cb 0.03 0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 40.18 1k3t h LEU 21 CO -0.00 -0.12 -0.03 0.00 -0.62 0.00 0.00 178.44 177.67 1k3t h GLU 23 N 0.03 0.33 0.00 0.00 4.81 -0.29 0.14 114.58 119.60 1k3t h GLU 23 Ca 0.11 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1k3t h GLU 23 Cb 0.16 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1k3t h GLU 23 CO -0.21 0.22 0.00 -0.25 -0.73 0.00 0.00 179.01 178.03 1k3t n ASP 24 N -4.46 0.00 -1.50 1.04 8.00 -0.41 -4.87 116.55 114.35 1k3t n ASP 24 Ca 0.09 -1.32 -0.13 0.00 0.71 0.00 0.00 54.79 54.14 1k3t n ASP 24 Cb 0.39 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.48 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 0.83 -0.16 0.04 0.44 0.00 0.04 -4.92 105.19 101.46 1k3t n GLY 25 Ca 0.16 -0.33 0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.90 0.57 -4.65 0.99 4.77 -0.99 -4.63 117.00 111.16 1k3t n LEU 26 Ca -0.15 0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.44 1k3t n LEU 26 Cb 0.61 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.61 1k3t n LEU 26 CO 0.18 -0.00 1.35 -0.22 -1.33 0.00 0.00 177.39 177.38 1k3t s LEU 27 N -4.26 4.10 0.00 2.23 2.96 -1.26 -0.53 118.68 121.92 1k3t s LEU 27 Ca 0.01 1.91 0.00 0.00 -0.22 0.00 0.00 54.13 55.83 1k3t s LEU 27 Cb 0.13 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.29 1k3t s LEU 27 CO 0.82 -1.08 0.00 0.61 -1.32 0.00 0.00 176.35 175.38 1k3t n GLY 28 N 4.35 2.17 0.03 7.98 0.00 -0.46 -4.86 105.19 114.39 1k3t n GLY 28 Ca 0.18 -0.05 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 1k3t n GLY 28 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1k3t h THR 29 N 0.00 0.00 0.00 2.61 1.35 -1.07 -3.42 112.91 112.38 1k3t h THR 29 Ca 0.00 -0.35 -0.30 0.00 -0.55 0.00 0.00 66.41 65.21 1k3t h THR 29 Cb 0.00 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 66.37 1k3t h THR 29 CO 0.00 0.00 -1.96 -0.62 -0.25 0.00 0.00 175.52 172.69 1k3t n GLU 30 N -3.03 0.65 -4.58 4.72 -0.58 -0.57 -4.32 120.64 112.94 1k3t n GLU 30 Ca -0.00 0.15 -0.23 0.00 -0.42 0.00 0.00 57.16 56.65 1k3t n GLU 30 Cb 0.01 -1.67 -0.16 0.00 -0.57 0.00 0.00 31.44 29.04 1k3t n GLU 30 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1k3t s ILE 31 N -2.63 1.08 -0.61 -3.67 1.01 0.01 -0.95 121.20 115.45 1k3t s ILE 31 Ca -0.07 -0.50 -0.14 0.00 0.00 0.00 0.00 60.65 59.95 1k3t s ILE 31 Cb 0.07 -0.97 0.15 0.00 0.01 0.00 0.00 42.46 41.73 1k3t s ILE 31 CO 0.83 0.33 0.54 -0.62 0.00 0.00 0.00 174.94 176.02 1k3t s ASP 32 N 0.35 6.22 -0.50 3.58 2.15 0.23 -1.35 116.67 127.35 1k3t s ASP 32 Ca -0.08 -2.09 -0.28 0.00 0.43 0.00 0.00 52.55 50.52 1k3t s ASP 32 Cb -0.12 -2.16 0.01 0.00 -0.30 0.00 0.00 42.92 40.35 1k3t s ASP 32 CO 0.02 -0.74 1.39 -0.69 -0.17 0.00 0.00 175.17 174.98 1k3t s VAL 33 N 1.11 3.87 0.04 1.11 1.01 -1.26 0.53 120.40 126.80 1k3t s VAL 33 Ca 0.08 0.81 -0.08 0.00 0.00 0.00 0.00 61.98 62.79 1k3t s VAL 33 Cb -0.24 -4.37 -0.31 0.00 0.00 0.00 0.00 36.38 31.47 1k3t s VAL 33 CO -0.01 -1.01 1.02 0.58 0.00 0.00 0.00 175.10 175.68 1k3t h VAL 34 N 6.40 1.33 -2.28 2.92 2.07 -0.32 -3.42 116.25 122.95 1k3t h VAL 34 Ca -0.27 -2.87 0.02 0.00 0.82 0.00 0.00 66.70 64.41 1k3t h VAL 34 Cb 1.09 2.93 -0.17 0.00 -1.52 0.00 0.00 31.29 33.63 1k3t h VAL 34 CO 1.14 0.85 0.34 0.00 0.02 0.00 0.00 177.57 179.92 1k3t s ALA 35 N -2.63 -1.77 0.04 1.67 0.00 -1.22 -1.54 121.76 116.31 1k3t s ALA 35 Ca -0.07 1.05 0.09 0.00 0.00 0.00 0.00 51.96 53.03 1k3t s ALA 35 Cb 0.06 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 1k3t s ALA 35 CO 0.90 -0.56 -0.25 0.14 0.00 0.00 0.00 175.76 175.99 1k3t s VAL 36 N -2.41 2.23 -0.09 0.00 -7.23 -0.70 -1.94 120.40 110.26 1k3t s VAL 36 Ca -0.02 -1.32 0.03 0.00 -1.81 0.00 0.00 61.98 58.86 1k3t s VAL 36 Cb -0.01 -1.87 0.01 0.00 0.56 0.00 0.00 36.38 35.07 1k3t s VAL 36 CO -0.03 0.39 -0.20 0.68 -0.31 0.00 0.00 175.10 175.63 1k3t s VAL 37 N -0.80 1.73 0.14 1.32 -7.23 0.37 -0.07 120.40 115.86 1k3t s VAL 37 Ca 0.12 -0.83 -0.24 0.00 -1.81 0.00 0.00 61.98 59.23 1k3t s VAL 37 Cb -0.10 -1.52 0.07 0.00 0.56 0.00 0.00 36.38 35.39 1k3t s VAL 37 CO 0.02 0.49 0.63 -0.62 -0.31 0.00 0.00 175.10 175.31 1k3t s ASP 38 N 0.48 -0.54 0.44 4.85 -1.08 -0.76 0.11 116.67 120.16 1k3t s ASP 38 Ca -0.17 -0.01 0.20 0.00 -0.52 0.00 0.00 52.55 52.05 1k3t s ASP 38 Cb -0.17 0.58 1.05 0.00 -1.46 0.00 0.00 42.92 42.91 1k3t s ASP 38 CO 0.07 -0.93 1.93 0.24 0.52 0.00 0.00 175.17 177.00 1k3t h MET 39 N 2.00 0.00 -6.16 4.34 2.86 -1.90 0.20 114.93 116.27 1k3t h MET 39 Ca -0.33 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 56.73 1k3t h MET 39 Cb 1.30 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.92 1k3t h MET 39 CO 0.37 0.24 -0.11 1.21 1.06 0.00 0.00 176.91 179.68 1k3t s ASN 40 N -6.56 6.92 0.00 1.22 3.84 -1.26 -4.80 114.94 114.30 1k3t s ASN 40 Ca -0.02 1.11 0.00 0.00 0.21 0.00 0.00 52.86 54.16 1k3t s ASN 40 Cb 0.14 -2.30 0.00 0.00 -0.55 0.00 0.00 41.25 38.53 1k3t s ASN 40 CO 0.66 0.27 0.81 0.35 -2.79 0.00 0.00 177.10 176.39 1k3t n THR 41 N 1.60 0.64 -2.28 -5.21 -2.24 -1.26 -4.87 114.28 100.65 1k3t n THR 41 Ca -0.11 -0.67 -0.35 0.00 -2.27 0.00 0.00 64.05 60.65 1k3t n THR 41 Cb 0.52 0.71 -0.04 0.00 -2.10 0.00 0.00 70.33 69.41 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 -0.64 5.74 0.36 3.42 2.15 -1.26 -4.55 116.67 121.89 1k3t s ASP 42 Ca 0.00 -0.71 0.12 0.00 0.43 0.00 0.00 52.55 52.39 1k3t s ASP 42 Cb 0.00 -2.56 0.92 0.00 -0.30 0.00 0.00 42.92 40.98 1k3t s ASP 42 CO 0.00 -2.16 1.81 0.00 -0.17 0.00 0.00 175.17 174.65 1k3t h ALA 43 N 11.27 1.96 -0.67 3.66 0.00 -1.82 -0.63 119.26 133.03 1k3t h ALA 43 Ca 0.01 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1k3t h ALA 43 Cb 1.04 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1k3t h ALA 43 CO 1.29 -0.30 0.42 0.93 0.00 0.00 0.00 179.25 181.60 1k3t h GLU 44 N 0.58 0.89 -0.21 0.00 5.08 -1.88 -0.82 114.58 118.21 1k3t h GLU 44 Ca 0.54 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.64 1k3t h GLU 44 Cb 1.08 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 30.14 1k3t h GLU 44 CO -0.29 0.61 -0.62 -0.92 -1.00 0.00 0.00 179.01 176.79 1k3t h TYR 45 N 0.91 1.04 -0.44 4.33 3.20 -1.52 -2.32 116.97 122.16 1k3t h TYR 45 Ca 0.24 -0.41 -0.03 0.00 3.14 0.00 0.00 58.73 61.67 1k3t h TYR 45 Cb -0.07 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 1k3t h TYR 45 CO 0.00 1.23 0.16 0.74 -1.64 0.00 0.00 178.16 178.65 1k3t h PHE 46 N 0.54 0.64 -0.17 -3.82 0.04 -1.01 -0.28 116.94 112.88 1k3t h PHE 46 Ca -0.02 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 1k3t h PHE 46 Cb 1.24 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 39.18 1k3t h PHE 46 CO 0.08 0.51 0.09 0.00 -0.60 0.00 0.00 178.31 178.39 1k3t h ALA 47 N 1.55 0.22 -0.27 2.45 0.00 -0.96 -0.45 119.26 121.80 1k3t h ALA 47 Ca 0.15 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1k3t h ALA 47 Cb 0.16 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1k3t h ALA 47 CO -0.01 -0.23 0.13 -0.92 0.00 0.00 0.00 179.25 178.22 1k3t h TYR 48 N 0.16 0.24 -0.92 0.00 3.20 -1.20 0.12 116.97 118.56 1k3t h TYR 48 Ca 0.06 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1k3t h TYR 48 Cb 0.10 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 1k3t h TYR 48 CO -0.03 0.13 0.54 1.96 -1.64 0.00 0.00 178.16 179.12 1k3t h GLN 49 N 0.27 1.27 0.01 1.82 4.20 -0.61 -2.94 115.11 119.12 1k3t h GLN 49 Ca 0.11 -0.13 -0.23 0.00 0.06 0.00 0.00 58.65 58.47 1k3t h GLN 49 Cb 0.04 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.57 1k3t h GLN 49 CO -0.08 0.90 -0.96 0.52 -0.67 0.00 0.00 178.83 178.54 1k3t h MET 50 N 1.28 0.39 -0.46 1.46 2.86 -0.86 -3.36 114.93 116.24 1k3t h MET 50 Ca 0.33 -0.43 -0.10 0.00 -2.06 0.00 0.00 59.70 57.44 1k3t h MET 50 Cb -0.03 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1k3t h MET 50 CO -0.06 1.10 -0.10 -0.09 1.06 0.00 0.00 176.91 178.82 1k3t h ARG 51 N 0.21 0.84 -5.82 1.72 2.43 -0.59 -3.35 114.38 109.82 1k3t h ARG 51 Ca -0.08 -0.28 -0.68 0.00 -0.81 0.00 0.00 59.98 58.13 1k3t h ARG 51 Cb 1.60 -0.07 -0.26 0.00 -0.42 0.00 0.00 29.97 30.82 1k3t h ARG 51 CO 0.16 0.91 -0.79 0.71 -1.51 0.00 0.00 179.97 179.45 1k3t s TYR 52 N -4.82 2.70 -0.07 2.20 2.02 -1.17 -1.37 117.35 116.84 1k3t s TYR 52 Ca -0.10 -0.48 -0.03 0.00 -0.37 0.00 0.00 57.07 56.09 1k3t s TYR 52 Cb 0.14 -1.72 0.04 0.00 -0.40 0.00 0.00 41.96 40.02 1k3t s TYR 52 CO 0.83 -0.07 0.06 0.34 -1.57 0.00 0.00 175.55 175.15 1k3t s ASP 53 N -0.15 1.47 0.23 2.29 -1.08 -1.01 -4.78 116.67 113.65 1k3t s ASP 53 Ca -0.01 -0.11 -0.08 0.00 -0.52 0.00 0.00 52.55 51.83 1k3t s ASP 53 Cb -0.14 -0.19 0.22 0.00 -1.46 0.00 0.00 42.92 41.36 1k3t s ASP 53 CO 0.03 -0.27 1.90 0.74 0.52 0.00 0.00 175.17 178.09 1k3t h THR 54 N 6.43 1.21 0.08 1.71 2.02 -1.97 -1.94 112.91 120.46 1k3t h THR 54 Ca -0.13 -0.40 -0.30 0.00 0.77 0.00 0.00 66.41 66.35 1k3t h THR 54 Cb 1.13 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1k3t h THR 54 CO 0.19 0.22 -1.60 -0.37 0.37 0.00 0.00 175.52 174.33 1k3t h VAL 55 N 1.18 0.83 -0.12 3.16 -1.51 -1.98 -3.40 116.25 114.40 1k3t h VAL 55 Ca 0.33 -2.30 0.00 0.00 -1.23 0.00 0.00 66.70 63.49 1k3t h VAL 55 Cb -0.12 2.47 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 1k3t h VAL 55 CO -0.08 0.66 0.00 1.41 -1.23 0.00 0.00 177.57 178.33 1k3t n HIS 56 N -3.91 0.14 -1.77 5.19 8.25 -1.22 -4.99 115.22 116.92 1k3t n HIS 56 Ca -0.30 -0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.09 1k3t n HIS 56 Cb 0.89 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.00 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 1.20 -2.33 3.75 -1.41 0.00 -0.73 -4.93 105.19 100.74 1k3t n GLY 57 Ca 0.17 -1.63 -0.40 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.40 4.76 0.43 1.61 3.01 -1.26 -2.40 119.74 125.48 1k3t s LYS 58 Ca 0.00 1.62 -0.25 0.00 -1.01 0.00 0.00 55.97 56.32 1k3t s LYS 58 Cb 0.00 -3.25 -0.09 0.00 -1.01 0.00 0.00 37.83 33.48 1k3t s LYS 58 CO 0.00 0.37 1.34 0.34 0.51 0.00 0.00 175.35 177.91 1k3t n PHE 59 N 1.47 2.38 1.59 3.18 7.35 -0.47 -4.88 117.46 128.08 1k3t n PHE 59 Ca -0.01 0.48 0.14 0.00 -0.76 0.00 0.00 57.45 57.30 1k3t n PHE 59 Cb 0.46 -2.41 0.65 0.00 0.35 0.00 0.00 39.48 38.52 1k3t n PHE 59 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 1k3t n LYS 60 N -0.04 1.18 -4.19 -4.13 2.85 -1.26 -4.76 118.16 107.81 1k3t n LYS 60 Ca 0.06 -0.49 -0.28 0.00 -1.05 0.00 0.00 58.31 56.55 1k3t n LYS 60 Cb 0.40 -1.49 -0.08 0.00 -0.65 0.00 0.00 35.03 33.21 1k3t n LYS 60 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1k3t s TYR 61 N -2.16 2.86 0.28 5.58 4.12 -1.26 -5.11 117.35 121.65 1k3t s TYR 61 Ca 0.37 -0.12 -0.29 0.00 0.02 0.00 0.00 57.07 57.06 1k3t s TYR 61 Cb 0.21 -1.42 -0.09 0.00 -1.52 0.00 0.00 41.96 39.14 1k3t s TYR 61 CO 0.39 0.49 0.98 -2.00 0.02 0.00 0.00 175.55 175.44 1k3t s GLU 62 N -2.69 4.70 -0.13 -0.62 2.12 -1.26 -4.99 118.70 115.82 1k3t s GLU 62 Ca 0.26 1.52 0.03 0.00 0.36 0.00 0.00 54.97 57.14 1k3t s GLU 62 Cb -0.10 -3.10 0.01 0.00 0.26 0.00 0.00 34.13 31.20 1k3t s GLU 62 CO 0.18 0.36 -0.22 0.08 -0.54 0.00 0.00 175.26 175.12 1k3t s VAL 63 N -1.31 2.13 0.35 3.70 1.01 -1.26 -4.21 120.40 120.80 1k3t s VAL 63 Ca 0.45 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.50 1k3t s VAL 63 Cb -0.25 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 1k3t s VAL 63 CO 0.32 0.55 0.07 0.42 0.00 0.00 0.00 175.10 176.46 1k3t s THR 64 N 0.72 1.05 0.21 3.92 -4.23 -0.83 -4.98 115.64 111.50 1k3t s THR 64 Ca -0.09 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.46 1k3t s THR 64 Cb -0.16 -2.67 -0.05 0.00 1.34 0.00 0.00 72.50 70.96 1k3t s THR 64 CO 0.00 0.00 -0.03 0.42 -0.54 0.00 0.00 174.62 174.47 1k3t s THR 65 N -3.27 1.05 0.12 3.99 -4.23 -1.26 -0.87 115.64 111.18 1k3t s THR 65 Ca 0.33 -2.04 -0.00 0.00 -1.18 0.00 0.00 61.69 58.79 1k3t s THR 65 Cb 0.07 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.71 1k3t s THR 65 CO 0.15 -0.44 0.16 0.35 -0.54 0.00 0.00 174.62 174.30 1k3t n THR 66 N -0.35 0.00 -5.23 3.99 -2.24 0.54 -4.93 114.28 106.06 1k3t n THR 66 Ca -0.06 -0.65 -0.31 0.00 -2.27 0.00 0.00 64.05 60.75 1k3t n THR 66 Cb 0.63 0.39 -0.16 0.00 -2.10 0.00 0.00 70.33 69.09 1k3t n THR 66 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1k3t s LYS 67 N -2.31 2.13 0.33 -0.78 0.00 -1.26 -1.45 119.74 116.40 1k3t s LYS 67 Ca 0.11 -0.92 0.02 0.00 0.00 0.00 0.00 55.97 55.18 1k3t s LYS 67 Cb -0.00 -2.07 0.58 0.00 0.00 0.00 0.00 37.83 36.34 1k3t s LYS 67 CO 0.08 0.56 1.93 0.66 0.00 0.00 0.00 175.35 178.58 1k3t h SER 68 N 5.42 0.66 -5.08 0.03 4.64 -1.94 -3.44 113.55 113.83 1k3t h SER 68 Ca -0.44 -0.07 -0.11 0.00 -0.47 0.00 0.00 61.79 60.71 1k3t h SER 68 Cb 1.13 -0.17 -0.17 0.00 -0.31 0.00 0.00 62.40 62.88 1k3t h SER 68 CO 0.47 0.59 -0.39 -0.94 -0.87 0.00 0.00 176.83 175.68 1k3t s SER 69 N -6.59 0.05 0.37 4.97 1.04 -1.26 -5.08 113.70 107.21 1k3t s SER 69 Ca -0.09 -0.42 0.17 0.00 0.48 0.00 0.00 55.95 56.09 1k3t s SER 69 Cb 0.16 0.30 1.09 0.00 0.10 0.00 0.00 66.02 67.67 1k3t s SER 69 CO 0.77 -0.58 1.72 -0.65 0.98 0.00 0.00 173.24 175.48 1k3t h PRO 70 N 3.35 0.38 -0.53 4.02 0.11 -2.04 -0.83 132.00 136.47 1k3t h PRO 70 Ca -0.32 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.70 1k3t h PRO 70 Cb 1.19 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1k3t h PRO 70 CO 0.50 0.25 0.07 0.66 -0.21 0.00 0.00 178.00 179.27 1k3t h SER 71 N 0.39 0.80 0.00 -2.05 4.64 -1.99 -3.43 113.55 111.92 1k3t h SER 71 Ca 0.66 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 1k3t h SER 71 Cb 1.61 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1k3t h SER 71 CO -0.41 0.83 0.95 0.52 -0.87 0.00 0.00 176.83 177.85 1k3t n VAL 72 N -4.24 0.00 0.00 0.95 0.31 -0.32 -4.77 118.33 110.26 1k3t n VAL 72 Ca 0.03 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 1k3t n VAL 72 Cb 0.27 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.20 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 4.37 0.00 -2.62 3.52 0.00 -1.26 -4.09 120.51 120.43 1k3t n ALA 73 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1k3t n ALA 73 Cb 0.48 0.28 -0.04 0.00 0.00 0.00 0.00 19.45 20.17 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 -2.24 4.53 0.51 0.00 2.47 -1.26 -5.02 119.74 118.72 1k3t s LYS 74 Ca 0.00 1.22 -0.21 0.00 -1.56 0.00 0.00 55.97 55.41 1k3t s LYS 74 Cb 0.00 -3.43 -0.07 0.00 -1.46 0.00 0.00 37.83 32.86 1k3t s LYS 74 CO 0.00 0.06 1.02 -0.25 0.16 0.00 0.00 175.35 176.34 1k3t n ASP 75 N 3.60 1.18 -0.06 1.43 8.00 -1.26 -4.92 116.55 124.52 1k3t n ASP 75 Ca 0.02 0.93 0.01 0.00 0.71 0.00 0.00 54.79 56.46 1k3t n ASP 75 Cb 0.51 -1.39 0.01 0.00 -0.02 0.00 0.00 41.12 40.23 1k3t n ASP 75 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1k3t n ASP 76 N -0.17 0.87 -3.99 -2.24 5.75 -0.53 -2.43 116.55 113.81 1k3t n ASP 76 Ca 0.11 -1.62 -0.21 0.00 -0.01 0.00 0.00 54.79 53.05 1k3t n ASP 76 Cb 0.43 -0.06 -0.16 0.00 -1.03 0.00 0.00 41.12 40.31 1k3t n ASP 76 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1k3t s THR 77 N -0.58 0.84 0.02 2.12 2.01 -0.84 0.68 115.64 119.89 1k3t s THR 77 Ca 0.03 -0.35 -0.06 0.00 0.31 0.00 0.00 61.69 61.61 1k3t s THR 77 Cb 0.02 -0.77 -0.05 0.00 0.01 0.00 0.00 72.50 71.72 1k3t s THR 77 CO 0.00 0.27 0.27 -0.76 -0.69 0.00 0.00 174.62 173.72 1k3t s LEU 78 N 0.43 4.36 -0.20 4.42 1.02 0.49 -0.34 118.68 128.86 1k3t s LEU 78 Ca -0.07 0.54 -0.02 0.00 0.02 0.00 0.00 54.13 54.60 1k3t s LEU 78 Cb -0.11 -2.74 0.06 0.00 0.02 0.00 0.00 46.19 43.41 1k3t s LEU 78 CO 0.01 0.23 0.01 -0.69 0.02 0.00 0.00 176.35 175.93 1k3t s VAL 79 N -1.34 0.80 -0.22 -1.59 1.01 -0.05 0.83 120.40 119.84 1k3t s VAL 79 Ca 0.29 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1k3t s VAL 79 Cb -0.13 -1.22 0.04 0.00 0.00 0.00 0.00 36.38 35.07 1k3t s VAL 79 CO 0.17 -0.16 -0.14 -0.69 0.00 0.00 0.00 175.10 174.28 1k3t s VAL 80 N 1.74 2.03 -1.29 2.92 1.01 -0.57 -1.96 120.40 124.29 1k3t s VAL 80 Ca -0.02 -1.27 -0.04 0.00 0.00 0.00 0.00 61.98 60.65 1k3t s VAL 80 Cb -0.17 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.19 1k3t s VAL 80 CO -0.07 0.22 1.06 0.59 0.00 0.00 0.00 175.10 176.89 1k3t n ASN 81 N 4.55 -3.93 -0.49 3.32 3.02 -1.26 -1.26 115.26 119.20 1k3t n ASN 81 Ca -0.17 -0.61 -0.05 0.00 -0.03 0.00 0.00 54.58 53.72 1k3t n ASN 81 Cb 0.46 -4.96 -0.02 0.00 -0.61 0.00 0.00 39.78 34.65 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 -1.56 0.50 3.75 7.41 0.00 -1.26 -4.96 105.19 109.07 1k3t n GLY 82 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.27 3.63 -0.20 1.61 5.04 -0.39 -5.06 115.29 118.65 1k3t s HIS 83 Ca 0.00 1.16 -0.10 0.00 -1.54 0.00 0.00 55.06 54.58 1k3t s HIS 83 Cb 0.00 -2.64 -0.05 0.00 0.04 0.00 0.00 32.58 29.93 1k3t s HIS 83 CO 0.00 0.26 0.13 1.03 -2.34 0.00 0.00 174.74 173.83 1k3t s ARG 84 N 0.17 4.19 -0.18 2.88 0.52 -1.26 -1.51 118.95 123.76 1k3t s ARG 84 Ca 0.32 -0.21 0.01 0.00 -0.52 0.00 0.00 55.73 55.32 1k3t s ARG 84 Cb -0.18 -3.42 0.02 0.00 0.52 0.00 0.00 34.95 31.89 1k3t s ARG 84 CO 0.16 0.30 -0.20 0.42 0.02 0.00 0.00 175.30 176.00 1k3t s ILE 85 N 0.36 2.06 0.20 1.52 1.09 0.24 -4.79 121.20 121.88 1k3t s ILE 85 Ca 0.08 -0.94 -0.30 0.00 -1.10 0.00 0.00 60.65 58.39 1k3t s ILE 85 Cb -0.11 -1.86 -0.08 0.00 -1.06 0.00 0.00 42.46 39.35 1k3t s ILE 85 CO -0.02 0.54 0.98 -0.22 -0.10 0.00 0.00 174.94 176.12 1k3t s LEU 86 N 1.28 4.57 -0.42 2.97 2.96 -0.59 -0.38 118.68 129.08 1k3t s LEU 86 Ca 0.05 1.95 -0.17 0.00 -0.22 0.00 0.00 54.13 55.74 1k3t s LEU 86 Cb -0.13 -3.60 0.02 0.00 0.50 0.00 0.00 46.19 42.98 1k3t s LEU 86 CO -0.13 0.01 0.43 0.00 -1.32 0.00 0.00 176.35 175.35 1k3t s VAL 88 N 2.13 4.84 0.10 0.00 -7.23 0.89 -4.90 120.40 116.23 1k3t s VAL 88 Ca 0.12 -0.58 -0.31 0.00 -1.81 0.00 0.00 61.98 59.40 1k3t s VAL 88 Cb -0.17 -3.32 -0.09 0.00 0.56 0.00 0.00 36.38 33.36 1k3t s VAL 88 CO 0.13 0.17 1.72 -0.75 -0.31 0.00 0.00 175.10 176.07 1k3t s LYS 89 N -2.30 4.17 0.55 4.82 2.47 -1.26 -1.83 119.74 126.36 1k3t s LYS 89 Ca 0.30 2.45 -0.21 0.00 -1.56 0.00 0.00 55.97 56.94 1k3t s LYS 89 Cb -0.12 -3.55 -0.05 0.00 -1.46 0.00 0.00 37.83 32.64 1k3t s LYS 89 CO 0.22 -0.77 1.28 0.00 0.16 0.00 0.00 175.35 176.24 1k3t n ALA 90 N 5.48 1.29 -2.49 3.13 0.00 0.06 -4.69 120.51 123.28 1k3t n ALA 90 Ca 0.16 0.11 -0.27 0.00 0.00 0.00 0.00 53.44 53.45 1k3t n ALA 90 Cb 0.39 -2.30 -0.11 0.00 0.00 0.00 0.00 19.45 17.43 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 -2.83 1.78 0.29 0.00 -1.52 -1.26 -4.88 119.66 111.24 1k3t s GLN 91 Ca 0.72 -1.39 -0.03 0.00 -1.95 0.00 0.00 55.36 52.71 1k3t s GLN 91 Cb -0.43 -2.00 0.42 0.00 -0.22 0.00 0.00 33.01 30.78 1k3t s GLN 91 CO 0.49 0.42 1.96 -0.09 -0.25 0.00 0.00 175.29 177.82 1k3t h ARG 92 N 3.10 1.13 -5.19 2.91 2.43 -1.99 -3.40 114.38 113.36 1k3t h ARG 92 Ca -0.47 -0.07 -0.67 0.00 -0.81 0.00 0.00 59.98 57.97 1k3t h ARG 92 Cb 1.20 -0.25 -0.31 0.00 -0.42 0.00 0.00 29.97 30.19 1k3t h ARG 92 CO 0.51 0.74 -0.82 -0.80 -1.51 0.00 0.00 179.97 178.09 1k3t s ASN 93 N -6.27 3.50 0.43 -3.80 0.02 -1.26 -5.01 114.94 102.56 1k3t s ASN 93 Ca -0.12 -0.51 0.13 0.00 -1.02 0.00 0.00 52.86 51.34 1k3t s ASN 93 Cb 0.18 -1.53 1.00 0.00 0.02 0.00 0.00 41.25 40.92 1k3t s ASN 93 CO 0.80 0.08 1.98 -0.65 0.02 0.00 0.00 177.10 179.33 1k3t h PRO 94 N 7.33 0.42 0.00 -0.60 0.11 -1.87 -0.45 132.00 136.95 1k3t h PRO 94 Ca -0.33 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.75 1k3t h PRO 94 Cb 1.19 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1k3t h PRO 94 CO 0.57 0.28 -0.02 0.00 -0.21 0.00 0.00 178.00 178.62 1k3t h ALA 95 N 1.69 1.34 -0.08 -0.75 0.00 -1.84 -1.00 119.26 118.63 1k3t h ALA 95 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1k3t h ALA 95 Cb 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1k3t h ALA 95 CO -0.08 0.02 0.00 -0.25 0.00 0.00 0.00 179.25 178.94 1k3t n ASP 96 N -3.60 1.50 -4.80 0.00 8.00 -0.18 -3.22 116.55 114.26 1k3t n ASP 96 Ca -0.03 -1.57 -0.34 0.00 0.71 0.00 0.00 54.79 53.56 1k3t n ASP 96 Cb 0.10 -0.04 -0.04 0.00 -0.02 0.00 0.00 41.12 41.12 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 -1.82 3.85 -0.42 0.64 2.01 -0.38 -4.97 118.68 117.60 1k3t s LEU 97 Ca 0.36 1.93 -0.02 0.00 0.01 0.00 0.00 54.13 56.41 1k3t s LEU 97 Cb 0.19 -4.55 0.20 0.00 0.01 0.00 0.00 46.19 42.04 1k3t s LEU 97 CO 0.30 -0.77 2.25 -0.81 1.01 0.00 0.00 176.35 178.33 1k3t n PRO 98 N -0.94 2.12 -0.35 1.29 -0.04 -1.26 -4.55 135.00 131.27 1k3t n PRO 98 Ca 0.09 -2.07 -0.02 0.00 -0.04 0.00 0.00 63.50 61.46 1k3t n PRO 98 Cb 0.52 -1.88 0.12 0.00 -0.04 0.00 0.00 33.50 32.23 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 2.04 1.22 0.18 0.54 -0.00 -1.87 -1.80 115.95 116.25 1k3t h TRP 99 Ca 0.37 0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 59.27 1k3t h TRP 99 Cb 0.82 -0.41 0.00 0.00 -0.00 0.00 0.00 29.16 29.57 1k3t h TRP 99 CO 1.09 0.78 -0.08 0.78 -0.00 0.00 0.00 178.44 181.01 1k3t h GLY 100 N 1.30 -0.25 -0.08 1.49 0.00 -1.45 0.34 103.07 104.43 1k3t h GLY 100 Ca 0.35 0.09 0.10 0.00 0.00 0.00 0.00 47.33 47.86 1k3t h GLY 100 CO -0.07 -0.09 -0.19 1.70 0.00 0.00 0.00 176.54 177.89 1k3t h LYS 101 N -0.35 -0.09 0.00 4.80 3.64 -1.72 0.14 116.57 123.00 1k3t h LYS 101 Ca -0.02 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1k3t h LYS 101 Cb 0.27 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1k3t h LYS 101 CO 0.04 -0.06 -0.05 -0.07 -2.27 0.00 0.00 179.45 177.04 1k3t h LEU 102 N -0.09 0.00 0.00 5.20 4.07 -1.36 -3.47 115.31 119.66 1k3t h LEU 102 Ca 0.22 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.18 1k3t h LEU 102 Cb 0.44 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.18 1k3t h LEU 102 CO -0.53 0.05 0.00 0.61 -1.08 0.00 0.00 178.44 177.48 1k3t n GLY 103 N 0.47 0.67 3.70 0.83 0.00 0.98 -5.01 105.19 106.81 1k3t n GLY 103 Ca 0.02 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.00 2.44 -0.24 1.61 1.01 0.00 -4.80 120.40 118.42 1k3t s VAL 104 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.03 1k3t s VAL 104 Cb 0.00 -3.02 -0.16 0.00 0.00 0.00 0.00 36.38 33.20 1k3t s VAL 104 CO 0.00 0.00 -0.22 1.21 0.00 0.00 0.00 175.10 176.10 1k3t n GLU 105 N 5.39 0.61 -4.27 2.72 2.13 -0.41 -4.23 120.64 122.59 1k3t n GLU 105 Ca 0.17 0.14 -0.34 0.00 0.66 0.00 0.00 57.16 57.79 1k3t n GLU 105 Cb 0.38 -1.49 -0.12 0.00 0.27 0.00 0.00 31.44 30.47 1k3t n GLU 105 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1k3t s TYR 106 N -2.49 3.02 -0.15 4.31 1.51 -0.89 -0.77 117.35 121.89 1k3t s TYR 106 Ca -0.33 -0.40 -0.02 0.00 -1.01 0.00 0.00 57.07 55.31 1k3t s TYR 106 Cb 0.08 -2.01 -0.02 0.00 -0.11 0.00 0.00 41.96 39.91 1k3t s TYR 106 CO 0.56 -0.14 -0.08 0.54 -1.11 0.00 0.00 175.55 175.32 1k3t s VAL 107 N 0.65 3.48 -0.49 0.71 0.11 0.15 -1.41 120.40 123.59 1k3t s VAL 107 Ca -0.02 -0.50 -0.19 0.00 -2.93 0.00 0.00 61.98 58.34 1k3t s VAL 107 Cb -0.14 -2.50 0.05 0.00 -1.53 0.00 0.00 36.38 32.26 1k3t s VAL 107 CO 0.02 0.50 0.58 -0.63 -3.33 0.00 0.00 175.10 172.25 1k3t s ILE 108 N 0.41 4.94 -0.50 7.04 1.01 -0.11 -1.06 121.20 132.92 1k3t s ILE 108 Ca -0.07 -0.52 -0.22 0.00 0.00 0.00 0.00 60.65 59.84 1k3t s ILE 108 Cb -0.15 -4.25 0.04 0.00 0.01 0.00 0.00 42.46 38.12 1k3t s ILE 108 CO 0.04 -0.73 0.77 -0.70 0.00 0.00 0.00 174.94 174.32 1k3t s GLU 109 N 2.46 3.27 -0.08 2.79 2.56 0.32 -0.02 118.70 130.00 1k3t s GLU 109 Ca 0.14 -0.46 0.12 0.00 0.00 0.00 0.00 54.97 54.77 1k3t s GLU 109 Cb -0.19 -4.03 0.18 0.00 2.00 0.00 0.00 34.13 32.09 1k3t s GLU 109 CO 0.12 -1.27 1.08 -1.13 -0.56 0.00 0.00 175.26 173.50 1k3t n SER 110 N 6.74 1.63 0.13 -1.70 3.41 -0.17 -2.13 113.62 121.54 1k3t n SER 110 Ca -0.01 -2.67 0.01 0.00 -0.26 0.00 0.00 58.87 55.94 1k3t n SER 110 Cb 0.47 -0.33 0.05 0.00 -0.26 0.00 0.00 64.21 64.14 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 1.95 1.02 0.00 6.66 1.35 -1.86 -3.43 112.91 118.60 1k3t h THR 111 Ca 0.00 -2.33 0.00 0.00 -0.55 0.00 0.00 66.41 63.53 1k3t h THR 111 Cb 1.07 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.91 1k3t h THR 111 CO 0.00 0.56 0.00 0.61 -0.25 0.00 0.00 175.52 176.44 1k3t n GLY 112 N 1.09 1.66 0.11 5.82 0.00 -1.26 -4.88 105.19 107.72 1k3t n GLY 112 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 1k3t n GLY 112 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1k3t h LEU 113 N 0.00 0.00 -4.19 0.99 4.07 -1.97 -3.39 115.31 110.82 1k3t h LEU 113 Ca 0.00 0.00 -0.49 0.00 0.08 0.00 0.00 57.88 57.47 1k3t h LEU 113 Cb 0.00 0.00 -0.42 0.00 1.08 0.00 0.00 40.66 41.32 1k3t h LEU 113 CO 0.00 0.39 -0.88 0.49 -1.08 0.00 0.00 178.44 177.36 1k3t n PHE 114 N -2.85 2.51 0.39 1.13 3.72 -1.26 -4.78 117.46 116.31 1k3t n PHE 114 Ca -0.06 -2.33 0.14 0.00 -0.05 0.00 0.00 57.45 55.15 1k3t n PHE 114 Cb 0.74 -0.29 0.46 0.00 -0.94 0.00 0.00 39.48 39.45 1k3t n PHE 114 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1k3t h THR 115 N 2.88 0.00 -2.85 4.37 2.02 -1.91 -3.27 112.91 114.16 1k3t h THR 115 Ca 0.25 -0.52 -0.54 0.00 0.77 0.00 0.00 66.41 66.36 1k3t h THR 115 Cb 1.40 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 69.26 1k3t h THR 115 CO 0.66 0.00 0.89 0.00 0.37 0.00 0.00 175.52 177.43 1k3t s ALA 116 N -3.34 3.60 0.23 6.16 0.00 -1.26 -1.37 121.76 125.79 1k3t s ALA 116 Ca 0.06 0.90 -0.08 0.00 0.00 0.00 0.00 51.96 52.84 1k3t s ALA 116 Cb 0.09 -3.63 0.39 0.00 0.00 0.00 0.00 23.12 19.97 1k3t s ALA 116 CO 0.54 -1.01 1.66 -0.22 0.00 0.00 0.00 175.76 176.73 1k3t h LYS 117 N 8.12 0.16 0.00 0.00 3.64 -0.40 -0.81 116.57 127.28 1k3t h LYS 117 Ca -0.38 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1k3t h LYS 117 Cb 1.18 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1k3t h LYS 117 CO 0.92 0.11 0.00 0.00 -2.27 0.00 0.00 179.45 178.20 1k3t h ALA 118 N 1.61 1.00 0.18 5.00 0.00 -1.87 0.15 119.26 125.33 1k3t h ALA 118 Ca 0.38 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 55.04 1k3t h ALA 118 Cb 0.64 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.46 1k3t h ALA 118 CO -0.55 0.00 -1.09 0.00 0.00 0.00 0.00 179.25 177.61 1k3t h ALA 119 N 2.09 -0.09 0.00 0.00 0.00 -1.48 -3.29 119.26 116.49 1k3t h ALA 119 Ca 0.00 -0.78 -0.08 0.00 0.00 0.00 0.00 54.91 54.05 1k3t h ALA 119 Cb 0.37 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1k3t h ALA 119 CO 0.00 0.52 -0.38 0.00 0.00 0.00 0.00 179.25 179.39 1k3t h ALA 120 N 0.09 1.17 0.00 0.00 0.00 -1.10 -2.09 119.26 117.34 1k3t h ALA 120 Ca -0.19 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1k3t h ALA 120 Cb 1.83 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1k3t h ALA 120 CO 0.19 0.47 0.00 0.93 0.00 0.00 0.00 179.25 180.84 1k3t h GLU 121 N 0.00 0.00 -0.95 0.00 5.08 -1.03 -2.62 114.58 115.06 1k3t h GLU 121 Ca -0.00 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 1k3t h GLU 121 Cb 0.76 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.94 1k3t h GLU 121 CO 0.05 0.00 0.61 0.78 -1.00 0.00 0.00 179.01 179.45 1k3t h GLY 122 N 0.35 1.44 0.56 -3.84 0.00 -1.49 -1.15 103.07 98.95 1k3t h GLY 122 Ca 0.00 -0.40 0.15 0.00 0.00 0.00 0.00 47.33 47.08 1k3t h GLY 122 CO 0.00 0.20 0.55 0.45 0.00 0.00 0.00 176.54 177.74 1k3t h HIS 123 N 0.95 0.70 -0.39 5.60 3.86 -1.62 0.48 115.15 124.73 1k3t h HIS 123 Ca 0.45 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.67 1k3t h HIS 123 Cb 0.43 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.66 1k3t h HIS 123 CO -0.00 0.26 0.20 -0.07 0.86 0.00 0.00 177.93 179.17 1k3t h LEU 124 N 0.59 0.50 -1.49 2.43 4.07 -1.37 -1.65 115.31 118.40 1k3t h LEU 124 Ca 0.43 -0.11 -0.00 0.00 0.08 0.00 0.00 57.88 58.27 1k3t h LEU 124 Cb 0.78 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.37 1k3t h LEU 124 CO -0.18 0.47 0.27 -0.09 -1.08 0.00 0.00 178.44 177.84 1k3t h ARG 125 N 0.49 0.62 0.00 1.13 9.65 -0.94 -0.74 114.38 124.59 1k3t h ARG 125 Ca 0.14 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1k3t h ARG 125 Cb 0.10 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.54 1k3t h ARG 125 CO -0.02 0.44 0.00 0.41 2.80 0.00 0.00 179.97 183.60 1k3t n GLY 126 N -1.38 -0.79 0.00 2.80 0.00 -0.45 -4.82 105.19 100.56 1k3t n GLY 126 Ca 0.04 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.96 0.94 3.81 -0.02 0.00 -0.28 -1.54 105.19 107.14 1k3t n GLY 127 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 2.59 -0.09 4.61 0.00 -0.67 -4.22 121.76 121.98 1k3t s ALA 128 Ca 0.00 0.08 0.12 0.00 0.00 0.00 0.00 51.96 52.17 1k3t s ALA 128 Cb 0.00 -3.18 -0.18 0.00 0.00 0.00 0.00 23.12 19.76 1k3t s ALA 128 CO 0.00 -1.33 0.13 0.54 0.00 0.00 0.00 175.76 175.10 1k3t n ARG 129 N -3.21 1.42 -3.95 0.00 1.74 0.05 -4.17 116.66 108.53 1k3t n ARG 129 Ca 0.08 -0.04 -0.10 0.00 -0.77 0.00 0.00 57.85 57.01 1k3t n ARG 129 Cb 0.54 -1.33 -0.12 0.00 -1.02 0.00 0.00 32.46 30.53 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 -2.52 0.24 -0.08 5.56 -0.14 -0.70 -4.86 119.74 117.24 1k3t s LYS 130 Ca -0.06 -0.46 0.01 0.00 -1.36 0.00 0.00 55.97 54.10 1k3t s LYS 130 Cb 0.05 0.09 0.02 0.00 -1.68 0.00 0.00 37.83 36.31 1k3t s LYS 130 CO 0.55 -0.04 -0.09 0.08 -0.76 0.00 0.00 175.35 175.10 1k3t s VAL 131 N -1.11 0.94 -0.26 3.17 1.01 -0.10 0.29 120.40 124.34 1k3t s VAL 131 Ca -0.12 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 1k3t s VAL 131 Cb -0.08 -0.91 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 1k3t s VAL 131 CO -0.01 0.33 0.06 -0.69 0.00 0.00 0.00 175.10 174.79 1k3t s VAL 132 N 1.10 4.03 -0.27 2.92 1.01 -0.22 -0.76 120.40 128.20 1k3t s VAL 132 Ca -0.07 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.26 1k3t s VAL 132 Cb -0.14 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 1k3t s VAL 132 CO -0.01 0.25 0.77 -0.63 0.00 0.00 0.00 175.10 175.49 1k3t s ILE 133 N 1.55 4.85 -0.29 2.22 1.01 -0.21 -0.52 121.20 129.80 1k3t s ILE 133 Ca 0.05 1.32 -0.06 0.00 0.00 0.00 0.00 60.65 61.97 1k3t s ILE 133 Cb -0.16 -4.09 -0.16 0.00 0.01 0.00 0.00 42.46 38.06 1k3t s ILE 133 CO 0.02 -0.13 3.32 -1.54 0.00 0.00 0.00 174.94 176.62 1k3t n SER 134 N 6.03 5.93 -3.63 3.58 3.41 -0.91 -1.77 113.62 126.27 1k3t n SER 134 Ca 0.04 -2.69 -0.05 0.00 -0.26 0.00 0.00 58.87 55.91 1k3t n SER 134 Cb 0.48 -1.38 -0.02 0.00 -0.26 0.00 0.00 64.21 63.03 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 0.36 -1.82 0.36 7.33 0.00 -1.23 -4.97 121.76 121.79 1k3t s ALA 135 Ca 0.65 0.64 -0.28 0.00 0.00 0.00 0.00 51.96 52.97 1k3t s ALA 135 Cb 0.32 0.46 -0.12 0.00 0.00 0.00 0.00 23.12 23.79 1k3t s ALA 135 CO -0.06 -0.88 1.34 -2.30 0.00 0.00 0.00 175.76 173.86 1k3t n PRO 136 N -0.36 2.25 -4.17 0.00 -0.02 -1.19 -4.00 135.00 127.51 1k3t n PRO 136 Ca -0.07 0.79 -0.24 0.00 -2.02 0.00 0.00 63.50 61.96 1k3t n PRO 136 Cb 0.61 -2.42 -0.07 0.00 -0.02 0.00 0.00 33.50 31.60 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 -1.11 3.42 0.45 3.55 0.00 -1.26 -4.89 121.76 121.92 1k3t s ALA 137 Ca 0.55 -1.88 0.05 0.00 0.00 0.00 0.00 51.96 50.68 1k3t s ALA 137 Cb -0.54 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 1k3t s ALA 137 CO 0.62 0.03 0.07 -1.54 0.00 0.00 0.00 175.76 174.94 1k3t s SER 138 N -3.81 4.13 -0.14 0.00 1.04 -0.47 -4.79 113.70 109.65 1k3t s SER 138 Ca 0.37 -1.39 -0.00 0.00 0.48 0.00 0.00 55.95 55.40 1k3t s SER 138 Cb -0.01 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.05 1k3t s SER 138 CO 0.22 -0.65 0.05 0.61 0.98 0.00 0.00 173.24 174.44 1k3t n GLY 139 N -1.18 0.52 1.62 7.32 0.00 -1.26 0.32 105.19 112.53 1k3t n GLY 139 Ca -0.08 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.85 0.57 3.76 -0.02 0.00 -1.26 -4.66 105.19 102.73 1k3t n GLY 140 Ca -0.01 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 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 3.49 0.10 4.61 0.00 -1.26 -4.93 121.76 121.78 1k3t s ALA 141 Ca 0.00 1.16 -0.31 0.00 0.00 0.00 0.00 51.96 52.81 1k3t s ALA 141 Cb 0.00 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.59 1k3t s ALA 141 CO 0.00 -0.53 1.33 0.21 0.00 0.00 0.00 175.76 176.76 1k3t s LYS 142 N -1.32 4.36 -0.25 0.00 2.47 -1.25 -4.64 119.74 119.10 1k3t s LYS 142 Ca 0.50 1.98 -0.11 0.00 -1.56 0.00 0.00 55.97 56.78 1k3t s LYS 142 Cb -0.38 -3.28 -0.05 0.00 -1.46 0.00 0.00 37.83 32.67 1k3t s LYS 142 CO 0.47 -0.37 0.17 0.99 0.16 0.00 0.00 175.35 176.77 1k3t s THR 143 N 1.03 5.32 -0.15 3.43 2.01 -1.26 0.29 115.64 126.31 1k3t s THR 143 Ca 0.62 0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.81 1k3t s THR 143 Cb -0.35 -3.50 0.01 0.00 0.01 0.00 0.00 72.50 68.68 1k3t s THR 143 CO 0.30 0.32 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.59 1k3t s LEU 144 N 1.28 2.19 -0.25 4.42 1.43 0.28 -4.82 118.68 123.21 1k3t s LEU 144 Ca 0.07 -0.59 -0.03 0.00 -1.03 0.00 0.00 54.13 52.56 1k3t s LEU 144 Cb -0.14 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.62 1k3t s LEU 144 CO 0.06 0.07 -0.03 -0.69 0.23 0.00 0.00 176.35 175.99 1k3t s VAL 145 N 0.89 3.19 0.16 -1.59 1.01 -1.26 -4.35 120.40 118.46 1k3t s VAL 145 Ca -0.05 -0.83 -0.33 0.00 0.00 0.00 0.00 61.98 60.77 1k3t s VAL 145 Cb -0.15 -2.58 -0.13 0.00 0.00 0.00 0.00 36.38 33.52 1k3t s VAL 145 CO -0.03 0.24 1.66 0.23 0.00 0.00 0.00 175.10 177.19 1k3t n MET 146 N 4.74 2.40 0.00 2.72 0.00 -1.26 -1.49 117.12 124.23 1k3t n MET 146 Ca -0.17 0.87 0.00 0.00 0.00 0.00 0.00 57.70 58.40 1k3t n MET 146 Cb 0.48 -2.68 0.00 0.00 0.00 0.00 0.00 33.22 31.03 1k3t n MET 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1k3t n GLY 147 N 3.70 1.69 0.73 3.03 0.00 -1.26 -4.81 105.19 108.27 1k3t n GLY 147 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 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 0.93 -1.47 1.61 0.31 -0.56 -4.91 118.33 112.24 1k3t n VAL 148 Ca 0.00 0.28 0.04 0.00 -0.01 0.00 0.00 64.34 64.64 1k3t n VAL 148 Cb 0.00 -1.63 0.05 0.00 -0.91 0.00 0.00 33.84 31.35 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 -3.42 0.98 0.27 4.52 6.94 -0.84 -4.91 115.26 118.80 1k3t n ASN 149 Ca -0.03 -2.33 0.13 0.00 -0.02 0.00 0.00 54.58 52.33 1k3t n ASN 149 Cb 0.11 -0.26 0.76 0.00 -2.36 0.00 0.00 39.78 38.03 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 -1.89 0.13 115.15 112.92 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 1.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.15 1k3t h HIS 150 CO 0.05 0.10 0.00 0.72 -3.07 0.00 0.00 177.93 175.73 1k3t n HIS 151 N -3.63 0.00 1.26 6.12 8.25 -1.26 -1.11 115.22 124.84 1k3t n HIS 151 Ca -0.02 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.58 1k3t n HIS 151 Cb 0.22 0.00 0.54 0.00 1.12 0.00 0.00 29.99 31.87 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 -0.87 0.46 -1.76 -0.41 1.02 0.03 -4.85 120.64 114.27 1k3t n GLU 152 Ca 0.08 -0.17 -0.42 0.00 -0.02 0.00 0.00 57.16 56.63 1k3t n GLU 152 Cb 0.04 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.93 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 -2.65 2.50 -0.33 -0.32 5.04 -0.27 -4.96 117.35 116.35 1k3t s TYR 153 Ca 0.23 0.18 0.02 0.00 -2.44 0.00 0.00 57.07 55.06 1k3t s TYR 153 Cb 0.19 -4.12 0.10 0.00 0.35 0.00 0.00 41.96 38.48 1k3t s TYR 153 CO 0.52 -4.46 0.08 1.21 -1.34 0.00 0.00 175.55 171.56 1k3t s ASN 154 N 2.06 4.42 0.34 4.32 3.84 -1.26 -5.02 114.94 123.63 1k3t s ASN 154 Ca 0.77 -1.95 0.10 0.00 0.21 0.00 0.00 52.86 51.99 1k3t s ASN 154 Cb -0.46 -1.28 0.86 0.00 -0.55 0.00 0.00 41.25 39.82 1k3t s ASN 154 CO 0.34 -0.39 1.78 -0.65 -2.79 0.00 0.00 177.10 175.39 1k3t h PRO 155 N 7.79 0.62 0.00 0.43 0.11 -1.91 0.35 132.00 139.38 1k3t h PRO 155 Ca -0.08 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.91 1k3t h PRO 155 Cb 1.01 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 1k3t h PRO 155 CO 0.50 0.41 -0.40 0.66 -0.21 0.00 0.00 178.00 178.95 1k3t h SER 156 N 0.64 0.00 0.00 -2.05 4.64 -1.98 -3.38 113.55 111.42 1k3t h SER 156 Ca 0.57 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.78 1k3t h SER 156 Cb 1.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 1k3t h SER 156 CO -0.34 0.40 -1.72 -0.62 -0.87 0.00 0.00 176.83 173.68 1k3t n GLU 157 N -3.33 1.15 -3.43 4.77 -0.58 -0.81 -4.91 120.64 113.51 1k3t n GLU 157 Ca 0.01 -0.07 -0.44 0.00 -0.42 0.00 0.00 57.16 56.25 1k3t n GLU 157 Cb 0.61 -1.31 -0.06 0.00 -0.57 0.00 0.00 31.44 30.11 1k3t n GLU 157 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1k3t s HIS 158 N -2.63 3.38 -0.21 -0.32 3.76 0.05 -4.91 115.29 114.41 1k3t s HIS 158 Ca -0.05 -1.65 0.08 0.00 -0.15 0.00 0.00 55.06 53.29 1k3t s HIS 158 Cb 0.06 -3.66 -0.21 0.00 1.11 0.00 0.00 32.58 29.88 1k3t s HIS 158 CO 0.53 -1.00 -0.02 0.72 -0.85 0.00 0.00 174.74 174.12 1k3t n HIS 159 N 4.93 0.15 -4.02 1.40 8.25 -1.26 -4.76 115.22 119.90 1k3t n HIS 159 Ca -0.08 0.04 -0.31 0.00 -0.26 0.00 0.00 57.72 57.11 1k3t n HIS 159 Cb 0.41 -1.02 -0.15 0.00 1.12 0.00 0.00 29.99 30.34 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 -2.52 1.89 0.29 1.59 1.01 -1.26 -0.93 120.40 120.48 1k3t s VAL 160 Ca -0.22 -1.37 0.12 0.00 0.00 0.00 0.00 61.98 60.50 1k3t s VAL 160 Cb 0.08 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 1k3t s VAL 160 CO 0.72 0.01 -0.17 0.68 0.00 0.00 0.00 175.10 176.33 1k3t s VAL 161 N 1.25 2.50 -0.07 2.92 -7.23 0.06 -3.88 120.40 115.94 1k3t s VAL 161 Ca -0.06 -2.35 0.03 0.00 -1.81 0.00 0.00 61.98 57.78 1k3t s VAL 161 Cb -0.19 -2.38 -0.02 0.00 0.56 0.00 0.00 36.38 34.35 1k3t s VAL 161 CO -0.06 -0.37 -0.15 -0.55 -0.31 0.00 0.00 175.10 173.66 1k3t s SER 162 N -3.53 3.96 -0.01 4.85 0.15 0.14 -1.05 113.70 118.21 1k3t s SER 162 Ca 0.30 -0.25 0.10 0.00 0.70 0.00 0.00 55.95 56.80 1k3t s SER 162 Cb -0.04 -1.02 0.29 0.00 -1.71 0.00 0.00 66.02 63.54 1k3t s SER 162 CO 0.15 0.30 1.22 -3.20 1.20 0.00 0.00 173.24 172.91 1k3t n ASN 163 N 2.63 1.87 -0.23 5.45 5.15 -0.73 -0.56 115.26 128.85 1k3t n ASN 163 Ca -0.17 -2.04 0.00 0.00 -0.60 0.00 0.00 54.58 51.77 1k3t n ASN 163 Cb 0.52 -0.25 0.00 0.00 -0.53 0.00 0.00 39.78 39.52 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 0.44 0.00 -2.42 5.20 0.00 -1.26 -4.82 120.51 117.65 1k3t n ALA 164 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.34 1k3t n ALA 164 Cb 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 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 5.26 0.38 0.00 1.04 -1.26 -3.15 113.70 111.97 1k3t s SER 165 Ca 0.00 -0.54 0.06 0.00 0.48 0.00 0.00 55.95 55.94 1k3t s SER 165 Cb 0.00 -0.87 0.75 0.00 0.10 0.00 0.00 66.02 65.99 1k3t s SER 165 CO 0.00 -0.44 1.99 0.00 0.98 0.00 0.00 173.24 175.77 1k3t h THR 167 N 0.56 1.32 -0.79 0.00 2.02 -1.95 -2.38 112.91 111.70 1k3t h THR 167 Ca 0.14 -1.32 -0.03 0.00 0.77 0.00 0.00 66.41 65.96 1k3t h THR 167 Cb 0.07 1.68 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 1k3t h THR 167 CO -0.02 0.41 0.36 0.74 0.37 0.00 0.00 175.52 177.38 1k3t h THR 168 N 0.22 1.25 0.00 3.16 2.02 -1.70 -0.68 112.91 117.18 1k3t h THR 168 Ca 0.04 -0.73 -0.04 0.00 0.77 0.00 0.00 66.41 66.45 1k3t h THR 168 Cb 0.72 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1k3t h THR 168 CO 0.05 0.31 -0.18 0.78 0.37 0.00 0.00 175.52 176.85 1k3t h ASN 169 N 1.13 0.00 0.15 4.18 2.35 -0.80 -0.09 115.58 122.50 1k3t h ASN 169 Ca 0.27 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.82 1k3t h ASN 169 Cb 0.14 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.54 1k3t h ASN 169 CO -0.03 0.18 -0.88 0.00 -1.65 0.00 0.00 177.43 175.04 1k3t h LEU 171 N -0.33 0.26 -0.90 0.00 6.46 -0.92 -3.36 115.31 116.53 1k3t h LEU 171 Ca -0.16 -0.66 0.14 0.00 -0.12 0.00 0.00 57.88 57.09 1k3t h LEU 171 Cb 1.69 -0.08 -0.09 0.00 -0.73 0.00 0.00 40.66 41.45 1k3t h LEU 171 CO 0.16 0.87 0.51 0.00 -0.62 0.00 0.00 178.44 179.36 1k3t h ALA 172 N 0.39 1.38 -0.47 1.25 0.00 -1.24 0.14 119.26 120.72 1k3t h ALA 172 Ca -0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1k3t h ALA 172 Cb 0.87 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1k3t h ALA 172 CO 0.04 -0.01 0.24 -1.35 0.00 0.00 0.00 179.25 178.18 1k3t h PRO 173 N 0.73 0.64 -0.19 0.00 0.11 -1.75 0.31 132.00 131.85 1k3t h PRO 173 Ca 0.48 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 66.42 1k3t h PRO 173 Cb 0.63 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.61 1k3t h PRO 173 CO -0.34 0.48 -0.31 0.82 -0.21 0.00 0.00 178.00 178.45 1k3t h ILE 174 N 0.65 1.34 -0.23 4.15 1.08 -0.93 -2.23 117.51 121.33 1k3t h ILE 174 Ca 0.17 -1.53 -0.14 0.00 -0.39 0.00 0.00 64.86 62.97 1k3t h ILE 174 Cb 0.04 1.86 -0.01 0.00 -3.07 0.00 0.00 36.82 35.64 1k3t h ILE 174 CO -0.03 0.47 -0.42 0.58 -0.69 0.00 0.00 178.15 178.06 1k3t h VAL 175 N 0.21 1.30 -0.55 1.67 2.07 -0.45 -2.49 116.25 118.01 1k3t h VAL 175 Ca 0.02 -1.60 0.03 0.00 0.82 0.00 0.00 66.70 65.96 1k3t h VAL 175 Cb 0.90 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 1k3t h VAL 175 CO 0.07 0.50 0.33 -0.74 0.02 0.00 0.00 177.57 177.75 1k3t h HIS 176 N 0.45 0.61 -0.51 1.57 -0.00 -0.33 -0.38 115.15 116.57 1k3t h HIS 176 Ca 0.04 0.02 -0.12 0.00 -0.00 0.00 0.00 60.37 60.30 1k3t h HIS 176 Cb 0.93 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 28.13 1k3t h HIS 176 CO 0.04 0.34 -0.17 0.28 -0.00 0.00 0.00 177.93 178.42 1k3t h VAL 177 N 0.64 1.27 -0.80 5.26 2.07 -1.19 0.21 116.25 123.71 1k3t h VAL 177 Ca 0.23 -1.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 1k3t h VAL 177 Cb 0.04 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1k3t h VAL 177 CO -0.11 0.47 0.49 -0.07 0.02 0.00 0.00 177.57 178.37 1k3t h LEU 178 N 0.89 0.95 0.09 2.57 3.38 -0.85 0.18 115.31 122.51 1k3t h LEU 178 Ca 0.12 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1k3t h LEU 178 Cb 0.75 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1k3t h LEU 178 CO 0.06 0.72 -0.04 0.58 0.09 0.00 0.00 178.44 179.85 1k3t h VAL 179 N 1.09 1.12 -0.58 1.22 2.07 -0.85 0.74 116.25 121.07 1k3t h VAL 179 Ca 0.29 -1.30 0.02 0.00 0.82 0.00 0.00 66.70 66.53 1k3t h VAL 179 Cb -0.06 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 1k3t h VAL 179 CO -0.06 0.29 0.38 0.50 0.02 0.00 0.00 177.57 178.71 1k3t h LYS 180 N -0.78 0.68 -0.10 1.57 3.64 -0.48 -2.63 116.57 118.48 1k3t h LYS 180 Ca -0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1k3t h LYS 180 Cb 0.58 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1k3t h LYS 180 CO 0.02 0.45 0.00 0.39 -2.27 0.00 0.00 179.45 178.04 1k3t n GLU 181 N -4.46 1.45 -0.65 1.90 -0.58 0.04 -4.91 120.64 113.43 1k3t n GLU 181 Ca 0.06 -0.67 0.00 0.00 -0.42 0.00 0.00 57.16 56.13 1k3t n GLU 181 Cb 0.11 -1.36 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 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 1.00 0.70 0.15 0.62 0.00 -0.99 -4.91 105.19 101.76 1k3t n GLY 182 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 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 0.57 -0.45 1.61 0.04 -1.30 -3.46 116.94 113.95 1k3t h PHE 183 Ca 0.00 -0.25 0.05 0.00 2.80 0.00 0.00 57.97 60.57 1k3t h PHE 183 Cb 0.00 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 1k3t h PHE 183 CO 0.00 1.00 -0.14 0.41 -0.60 0.00 0.00 178.31 178.98 1k3t n GLY 184 N 0.69 -2.37 2.91 -1.45 0.00 0.08 -1.15 105.19 103.90 1k3t n GLY 184 Ca -0.08 -1.42 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.66 1.21 -0.10 1.61 1.01 -1.26 -3.11 120.40 117.10 1k3t s VAL 185 Ca 0.00 -0.66 -0.19 0.00 0.00 0.00 0.00 61.98 61.12 1k3t s VAL 185 Cb 0.00 -1.35 -0.28 0.00 0.00 0.00 0.00 36.38 34.76 1k3t s VAL 185 CO 0.00 0.17 0.66 -0.61 0.00 0.00 0.00 175.10 175.32 1k3t h GLN 186 N 8.10 0.22 -2.53 2.72 4.15 0.11 -3.45 115.11 124.42 1k3t h GLN 186 Ca -0.26 -0.38 -0.09 0.00 0.77 0.00 0.00 58.65 58.69 1k3t h GLN 186 Cb 1.11 0.14 -0.21 0.00 0.21 0.00 0.00 27.48 28.74 1k3t h GLN 186 CO 0.42 1.18 -0.07 0.95 -1.93 0.00 0.00 178.83 179.38 1k3t s THR 187 N -2.43 0.02 -0.03 2.39 -4.23 -1.22 -4.84 115.64 105.30 1k3t s THR 187 Ca -0.18 -0.18 -0.07 0.00 -1.18 0.00 0.00 61.69 60.07 1k3t s THR 187 Cb 0.03 -0.77 0.01 0.00 1.34 0.00 0.00 72.50 73.10 1k3t s THR 187 CO 0.77 -0.10 0.17 -0.83 -0.54 0.00 0.00 174.62 174.09 1k3t s GLY 188 N -0.83 -0.06 -0.10 3.99 0.00 -0.10 -0.43 107.32 109.80 1k3t s GLY 188 Ca -0.09 0.22 0.01 0.00 0.00 0.00 0.00 44.72 44.86 1k3t s GLY 188 CO 0.05 0.11 -0.11 1.08 0.00 0.00 0.00 173.10 174.24 1k3t s LEU 189 N -0.64 1.45 0.01 0.66 1.43 0.43 -2.79 118.68 119.23 1k3t s LEU 189 Ca -0.07 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 52.73 1k3t s LEU 189 Cb -0.04 -0.88 -0.03 0.00 0.03 0.00 0.00 46.19 45.26 1k3t s LEU 189 CO 0.01 -0.04 -0.05 -0.32 0.23 0.00 0.00 176.35 176.18 1k3t s MET 190 N 1.22 2.58 -0.04 1.70 -2.45 -0.74 0.35 119.30 121.93 1k3t s MET 190 Ca -0.04 -0.72 0.04 0.00 -1.25 0.00 0.00 55.69 53.73 1k3t s MET 190 Cb -0.14 -2.53 -0.00 0.00 1.25 0.00 0.00 34.83 33.40 1k3t s MET 190 CO -0.03 0.60 -0.17 0.99 1.05 0.00 0.00 175.02 177.45 1k3t s THR 191 N -1.05 1.43 -0.14 10.11 2.01 0.17 -1.50 115.64 126.67 1k3t s THR 191 Ca 0.18 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.47 1k3t s THR 191 Cb -0.11 -1.23 -0.00 0.00 0.01 0.00 0.00 72.50 71.16 1k3t s THR 191 CO 0.09 0.41 -0.17 0.28 -0.69 0.00 0.00 174.62 174.55 1k3t s THR 192 N 0.03 2.61 -0.50 -0.82 -1.32 -0.56 -0.23 115.64 114.85 1k3t s THR 192 Ca -0.04 -0.80 -0.16 0.00 -1.21 0.00 0.00 61.69 59.48 1k3t s THR 192 Cb -0.11 -2.08 0.09 0.00 -1.51 0.00 0.00 72.50 68.88 1k3t s THR 192 CO 0.02 0.53 0.46 -0.63 -2.21 0.00 0.00 174.62 172.79 1k3t s ILE 193 N 0.65 5.18 -0.00 5.08 1.01 0.80 -1.83 121.20 132.08 1k3t s ILE 193 Ca -0.09 -1.15 0.02 0.00 0.00 0.00 0.00 60.65 59.44 1k3t s ILE 193 Cb -0.16 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.06 1k3t s ILE 193 CO 0.02 -0.71 -0.05 -2.28 0.00 0.00 0.00 174.94 171.93 1k3t s HIS 194 N 1.75 2.95 0.60 3.97 2.46 -0.40 -0.23 115.29 126.39 1k3t s HIS 194 Ca 0.05 0.00 -0.17 0.00 0.47 0.00 0.00 55.06 55.41 1k3t s HIS 194 Cb -0.26 -1.63 -0.03 0.00 -0.13 0.00 0.00 32.58 30.53 1k3t s HIS 194 CO 0.06 0.40 1.13 -1.12 -2.47 0.00 0.00 174.74 172.74 1k3t s SER 195 N -1.43 5.40 0.67 9.88 0.01 -1.24 -0.88 113.70 126.12 1k3t s SER 195 Ca 0.17 2.11 -0.14 0.00 1.31 0.00 0.00 55.95 59.41 1k3t s SER 195 Cb -0.11 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1k3t s SER 195 CO 0.08 -1.44 1.10 -0.72 0.41 0.00 0.00 173.24 172.67 1k3t s TYR 196 N -2.02 2.69 0.44 2.43 -0.85 -0.87 -4.77 117.35 114.41 1k3t s TYR 196 Ca 0.70 1.54 0.03 0.00 -0.52 0.00 0.00 57.07 58.83 1k3t s TYR 196 Cb -0.23 -3.11 -0.02 0.00 0.38 0.00 0.00 41.96 38.99 1k3t s TYR 196 CO 0.34 -1.60 0.11 0.95 -1.52 0.00 0.00 175.55 173.84 1k3t s THR 197 N -2.48 0.63 -0.91 -3.49 -4.23 -1.26 -4.77 115.64 99.13 1k3t s THR 197 Ca 0.65 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.32 1k3t s THR 197 Cb -0.19 -2.25 0.14 0.00 1.34 0.00 0.00 72.50 71.54 1k3t s THR 197 CO 0.44 0.00 1.49 0.00 -0.54 0.00 0.00 174.62 176.01 1k3t n ALA 198 N -1.02 1.64 0.21 3.99 0.00 -1.26 -1.97 120.51 122.10 1k3t n ALA 198 Ca -0.09 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.44 1k3t n ALA 198 Cb 0.65 -1.25 0.15 0.00 0.00 0.00 0.00 19.45 19.00 1k3t n ALA 198 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1k3t h THR 199 N 0.00 0.08 -4.32 0.00 1.35 -1.98 -3.46 112.91 104.57 1k3t h THR 199 Ca 0.00 -1.11 -0.46 0.00 -0.55 0.00 0.00 66.41 64.29 1k3t h THR 199 Cb 0.26 2.03 0.13 0.00 -1.73 0.00 0.00 68.15 68.83 1k3t h THR 199 CO 0.00 0.04 0.36 -1.10 -0.25 0.00 0.00 175.52 174.57 1k3t s GLN 200 N -3.19 1.26 0.15 4.72 -0.21 -0.83 -4.99 119.66 116.57 1k3t s GLN 200 Ca 0.07 0.07 0.07 0.00 0.02 0.00 0.00 55.36 55.59 1k3t s GLN 200 Cb 0.05 -1.87 -0.04 0.00 1.00 0.00 0.00 33.01 32.15 1k3t s GLN 200 CO 0.68 -2.07 -0.02 0.15 -2.12 0.00 0.00 175.29 171.91 1k3t s LYS 201 N -5.52 2.39 0.11 2.91 -0.14 -1.26 -4.99 119.74 113.25 1k3t s LYS 201 Ca 0.65 -1.04 -0.09 0.00 -1.36 0.00 0.00 55.97 54.14 1k3t s LYS 201 Cb -0.11 -2.39 -0.12 0.00 -1.68 0.00 0.00 37.83 33.53 1k3t s LYS 201 CO 0.52 0.48 1.30 1.79 -0.76 0.00 0.00 175.35 178.67 1k3t h THR 202 N 2.66 1.33 -2.88 2.17 1.35 -1.93 -1.98 112.91 113.63 1k3t h THR 202 Ca -0.47 -2.20 -0.45 0.00 -0.55 0.00 0.00 66.41 62.73 1k3t h THR 202 Cb 1.19 2.23 -0.14 0.00 -1.73 0.00 0.00 68.15 69.70 1k3t h THR 202 CO 0.57 0.68 -0.66 0.68 -0.25 0.00 0.00 175.52 176.54 1k3t s VAL 203 N -3.48 1.37 -0.20 6.82 -7.23 -1.26 -4.15 120.40 112.27 1k3t s VAL 203 Ca -0.08 -2.07 -0.37 0.00 -1.81 0.00 0.00 61.98 57.65 1k3t s VAL 203 Cb 0.08 -2.48 -0.14 0.00 0.56 0.00 0.00 36.38 34.41 1k3t s VAL 203 CO 0.89 -0.26 1.84 0.47 -0.31 0.00 0.00 175.10 177.74 1k3t n ASP 204 N -0.55 2.87 -0.64 4.85 8.00 -1.26 -4.25 116.55 125.56 1k3t n ASP 204 Ca -0.05 0.98 0.00 0.00 0.71 0.00 0.00 54.79 56.43 1k3t n ASP 204 Cb 0.64 -1.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.49 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 4.48 6.01 3.70 0.44 0.00 0.11 -4.90 105.19 115.01 1k3t n GLY 205 Ca 0.26 -1.93 -0.39 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.20 5.14 -0.49 1.61 1.01 -1.26 -4.70 120.40 121.51 1k3t s VAL 206 Ca 0.00 0.99 0.06 0.00 0.00 0.00 0.00 61.98 63.03 1k3t s VAL 206 Cb 0.00 -3.84 0.21 0.00 0.00 0.00 0.00 36.38 32.75 1k3t s VAL 206 CO 0.00 0.26 0.75 -0.24 0.00 0.00 0.00 175.10 175.87 1k3t n SER 207 N 4.16 -2.80 0.22 3.32 2.88 -1.26 -4.84 113.62 115.30 1k3t n SER 207 Ca -0.06 -3.02 0.09 0.00 -1.33 0.00 0.00 58.87 54.55 1k3t n SER 207 Cb 0.51 1.47 0.62 0.00 -0.75 0.00 0.00 64.21 66.07 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 3.99 0.99 0.08 2.46 3.04 -1.95 -2.41 116.25 122.45 1k3t h VAL 208 Ca -0.01 -0.02 -0.27 0.00 -1.01 0.00 0.00 66.70 65.40 1k3t h VAL 208 Cb 1.05 0.94 -0.01 0.00 -2.01 0.00 0.00 31.29 31.25 1k3t h VAL 208 CO 0.19 0.01 -1.29 0.50 -1.01 0.00 0.00 177.57 175.97 1k3t h LYS 209 N 0.05 0.18 -3.14 4.17 1.63 -2.03 -3.40 116.57 114.02 1k3t h LYS 209 Ca 0.03 -0.30 -0.62 0.00 -0.85 0.00 0.00 60.65 58.91 1k3t h LYS 209 Cb 0.07 0.11 -0.40 0.00 -0.60 0.00 0.00 32.23 31.41 1k3t h LYS 209 CO -0.00 1.08 -0.69 0.34 -3.45 0.00 0.00 179.45 176.73 1k3t s ASP 210 N -6.91 3.94 0.16 4.20 -1.08 -0.92 -4.99 116.67 111.06 1k3t s ASP 210 Ca -0.04 -2.87 -0.24 0.00 -0.52 0.00 0.00 52.55 48.88 1k3t s ASP 210 Cb 0.08 -1.30 0.03 0.00 -1.46 0.00 0.00 42.92 40.27 1k3t s ASP 210 CO 0.85 -0.24 1.60 -0.50 0.52 0.00 0.00 175.17 177.40 1k3t h TRP 211 N 6.53 -0.96 -0.70 -5.34 4.06 -1.77 -1.43 115.95 116.34 1k3t h TRP 211 Ca -0.02 0.06 0.09 0.00 2.06 0.00 0.00 58.89 61.07 1k3t h TRP 211 Cb 0.90 0.47 -0.07 0.00 -1.00 0.00 0.00 29.16 29.46 1k3t h TRP 211 CO 0.50 -0.40 0.36 0.00 -3.56 0.00 0.00 178.44 175.35 1k3t h ARG 212 N -0.30 0.60 0.00 0.49 3.08 -1.89 -2.36 114.38 114.00 1k3t h ARG 212 Ca 0.15 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1k3t h ARG 212 Cb 0.55 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1k3t h ARG 212 CO -0.50 0.40 0.03 0.78 -1.07 0.00 0.00 179.97 179.61 1k3t h GLY 213 N 0.62 0.00 -1.06 0.04 0.00 -1.55 -1.94 103.07 99.18 1k3t h GLY 213 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1k3t h GLY 213 CO -0.25 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.90 1k3t n GLY 214 N -1.28 0.51 3.87 4.60 0.00 -0.89 -4.30 105.19 107.71 1k3t n GLY 214 Ca -0.02 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.77 3.79 -0.29 1.61 1.81 -0.73 0.04 118.95 123.42 1k3t s ARG 215 Ca 0.34 0.46 -0.39 0.00 -1.72 0.00 0.00 55.73 54.42 1k3t s ARG 215 Cb 0.19 -2.41 -0.15 0.00 -0.45 0.00 0.00 34.95 32.13 1k3t s ARG 215 CO 0.28 -0.01 1.85 0.00 -0.68 0.00 0.00 175.30 176.74 1k3t n ALA 216 N -1.20 0.15 0.06 2.13 0.00 -1.26 -4.44 120.51 115.95 1k3t n ALA 216 Ca 0.02 0.29 -0.16 0.00 0.00 0.00 0.00 53.44 53.59 1k3t n ALA 216 Cb 0.54 -2.30 -0.08 0.00 0.00 0.00 0.00 19.45 17.61 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 8.37 0.25 -0.23 0.00 0.00 -1.51 -3.15 119.26 122.98 1k3t h ALA 217 Ca -0.42 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 53.77 1k3t h ALA 217 Cb 1.32 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1k3t h ALA 217 CO 0.98 0.78 0.00 0.00 0.00 0.00 0.00 179.25 181.00 1k3t n ALA 218 N -2.58 2.48 -0.53 0.00 0.00 -1.26 -3.48 120.51 115.13 1k3t n ALA 218 Ca -0.09 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1k3t n ALA 218 Cb 0.87 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.30 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 0.22 0.42 -4.35 0.00 0.24 -1.24 -4.71 118.33 108.90 1k3t n VAL 219 Ca 0.11 -0.44 -0.21 0.00 -2.04 0.00 0.00 64.34 61.75 1k3t n VAL 219 Cb 0.24 0.85 -0.11 0.00 -1.47 0.00 0.00 33.84 33.35 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 -0.42 2.78 -0.27 -1.34 0.01 -1.19 -5.07 114.94 109.45 1k3t s ASN 220 Ca 0.00 -0.93 -0.15 0.00 -0.71 0.00 0.00 52.86 51.08 1k3t s ASN 220 Cb 0.00 -0.17 -0.04 0.00 0.41 0.00 0.00 41.25 41.45 1k3t s ASN 220 CO 0.00 -0.06 0.36 -0.63 -1.51 0.00 0.00 177.10 175.26 1k3t s ILE 221 N -2.35 5.18 -0.35 0.60 1.01 -1.26 -4.16 121.20 119.87 1k3t s ILE 221 Ca 0.19 0.54 0.03 0.00 0.00 0.00 0.00 60.65 61.42 1k3t s ILE 221 Cb -0.04 -3.69 0.10 0.00 0.01 0.00 0.00 42.46 38.84 1k3t s ILE 221 CO 0.08 0.16 0.08 -0.63 0.00 0.00 0.00 174.94 174.63 1k3t s ILE 222 N 2.04 2.09 0.61 2.92 1.01 0.26 -4.94 121.20 125.20 1k3t s ILE 222 Ca 0.14 -2.30 -0.18 0.00 0.00 0.00 0.00 60.65 58.31 1k3t s ILE 222 Cb -0.16 -2.54 -0.06 0.00 0.01 0.00 0.00 42.46 39.71 1k3t s ILE 222 CO 0.10 -0.63 0.78 -2.65 0.00 0.00 0.00 174.94 172.54 1k3t n PRO 223 N 4.22 0.68 -3.62 2.79 -0.02 -1.26 -0.63 135.00 137.16 1k3t n PRO 223 Ca 0.03 0.27 -0.14 0.00 -2.02 0.00 0.00 63.50 61.64 1k3t n PRO 223 Cb 0.41 -1.99 -0.07 0.00 -0.02 0.00 0.00 33.50 31.83 1k3t n PRO 223 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1k3t s SER 224 N -1.28 -0.73 0.81 2.55 0.15 0.22 -4.71 113.70 110.70 1k3t s SER 224 Ca 0.73 1.35 -0.11 0.00 0.70 0.00 0.00 55.95 58.62 1k3t s SER 224 Cb -0.41 1.35 0.07 0.00 -1.71 0.00 0.00 66.02 65.32 1k3t s SER 224 CO 0.50 -0.29 1.09 0.42 1.20 0.00 0.00 173.24 176.16 1k3t s THR 225 N 0.19 3.10 -0.08 6.45 -4.23 -1.26 0.44 115.64 120.24 1k3t s THR 225 Ca -0.01 0.36 -0.22 0.00 -1.18 0.00 0.00 61.69 60.63 1k3t s THR 225 Cb -0.04 -3.03 0.05 0.00 1.34 0.00 0.00 72.50 70.82 1k3t s THR 225 CO 0.02 -0.47 0.52 0.28 -0.54 0.00 0.00 174.62 174.43 1k3t s THR 226 N -3.08 0.02 -1.73 3.99 -1.32 -1.24 -4.59 115.64 107.69 1k3t s THR 226 Ca 0.61 -0.15 0.27 0.00 -1.21 0.00 0.00 61.69 61.21 1k3t s THR 226 Cb -0.15 -0.80 0.34 0.00 -1.51 0.00 0.00 72.50 70.37 1k3t s THR 226 CO 0.55 -0.08 1.67 0.61 -2.21 0.00 0.00 174.62 175.16 1k3t n GLY 227 N 1.59 -0.72 0.18 6.08 0.00 -1.26 -4.52 105.19 106.55 1k3t n GLY 227 Ca -0.18 -0.35 -0.04 0.00 0.00 0.00 0.00 46.02 45.45 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 3.67 0.50 -0.11 4.61 0.00 -1.96 -1.54 119.26 124.43 1k3t h ALA 228 Ca 0.00 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1k3t h ALA 228 Cb 0.45 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1k3t h ALA 228 CO 0.00 -0.31 -0.22 0.00 0.00 0.00 0.00 179.25 178.73 1k3t h ALA 229 N 1.34 0.18 -0.70 0.00 0.00 -1.89 -2.91 119.26 115.29 1k3t h ALA 229 Ca 0.22 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1k3t h ALA 229 Cb 0.27 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1k3t h ALA 229 CO -0.28 0.13 0.46 0.87 0.00 0.00 0.00 179.25 180.43 1k3t h LYS 230 N -0.09 0.81 0.00 0.00 1.57 -1.56 -1.70 116.57 115.60 1k3t h LYS 230 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1k3t h LYS 230 Cb 0.80 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1k3t h LYS 230 CO 0.05 0.54 0.00 0.00 -0.57 0.00 0.00 179.45 179.47 1k3t h ALA 231 N 1.59 1.00 -0.00 3.86 0.00 -1.10 -1.62 119.26 122.99 1k3t h ALA 231 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1k3t h ALA 231 Cb 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1k3t h ALA 231 CO -0.08 0.00 0.01 0.28 0.00 0.00 0.00 179.25 179.46 1k3t h VAL 232 N 0.00 0.48 0.00 0.00 2.07 -1.12 0.11 116.25 117.79 1k3t h VAL 232 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1k3t h VAL 232 Cb 0.23 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1k3t h VAL 232 CO 0.00 0.00 -0.13 1.23 0.02 0.00 0.00 177.57 178.69 1k3t h GLY 233 N 0.00 0.00 2.00 2.17 0.00 -1.44 -1.14 103.07 104.66 1k3t h GLY 233 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.22 1k3t h GLY 233 CO -0.00 0.00 -0.55 -0.33 0.00 0.00 0.00 176.54 175.66 1k3t h MET 234 N 0.00 0.00 0.00 4.80 2.86 -1.14 -3.14 114.93 118.31 1k3t h MET 234 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1k3t h MET 234 Cb 0.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1k3t h MET 234 CO 0.02 0.55 -1.33 0.28 1.06 0.00 0.00 176.91 177.49 1k3t n VAL 235 N -3.41 0.32 -3.15 -2.22 0.31 -0.92 -4.59 118.33 104.67 1k3t n VAL 235 Ca 0.01 -0.46 -0.19 0.00 -0.01 0.00 0.00 64.34 63.68 1k3t n VAL 235 Cb 0.67 -0.11 -0.05 0.00 -0.91 0.00 0.00 33.84 33.44 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 -2.38 -0.73 0.22 2.52 5.41 -0.48 -4.61 119.36 119.32 1k3t n ILE 236 Ca -0.01 -2.83 0.17 0.00 1.00 0.00 0.00 62.75 61.08 1k3t n ILE 236 Cb 0.53 -0.83 0.75 0.00 -0.71 0.00 0.00 39.64 39.39 1k3t n ILE 236 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1k3t h PRO 237 N 4.98 0.00 0.00 0.38 0.13 -1.78 0.21 132.00 135.91 1k3t h PRO 237 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1k3t h PRO 237 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1k3t h PRO 237 CO 0.31 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.74 1k3t h SER 238 N 0.00 0.00 -0.24 1.44 4.64 -1.94 -1.83 113.55 115.62 1k3t h SER 238 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1k3t h SER 238 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1k3t h SER 238 CO -0.00 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 1k3t n THR 239 N -2.91 0.30 -1.69 2.95 -2.24 0.06 -4.94 114.28 105.80 1k3t n THR 239 Ca -0.01 -0.61 -0.52 0.00 -2.27 0.00 0.00 64.05 60.64 1k3t n THR 239 Cb 0.18 1.05 -0.06 0.00 -2.10 0.00 0.00 70.33 69.41 1k3t n THR 239 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1k3t n GLN 240 N 1.27 1.69 -0.86 -0.78 0.00 -0.69 -1.17 117.38 116.84 1k3t n GLN 240 Ca 0.17 0.62 0.00 0.00 -0.00 0.00 0.00 57.00 57.79 1k3t n GLN 240 Cb 0.57 -2.38 0.00 0.00 0.00 0.00 0.00 30.24 28.42 1k3t n GLN 240 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1k3t n GLY 241 N 4.19 1.06 0.38 1.69 0.00 -1.26 -4.84 105.19 106.41 1k3t n GLY 241 Ca 0.24 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.34 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 1.59 -4.31 1.61 5.02 -0.31 -4.98 118.16 114.78 1k3t n LYS 242 Ca 0.00 -0.82 -0.18 0.00 -2.02 0.00 0.00 58.31 55.29 1k3t n LYS 242 Cb 0.00 -1.31 -0.15 0.00 -0.02 0.00 0.00 35.03 33.55 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 -2.13 1.98 0.32 -0.35 1.43 -1.25 -0.92 118.68 117.75 1k3t s LEU 243 Ca 0.14 -0.15 -0.14 0.00 -1.03 0.00 0.00 54.13 52.95 1k3t s LEU 243 Cb 0.14 -0.42 0.02 0.00 0.03 0.00 0.00 46.19 45.96 1k3t s LEU 243 CO 0.44 0.09 0.64 0.28 0.23 0.00 0.00 176.35 178.04 1k3t s THR 244 N -0.13 0.00 0.05 5.49 -1.32 -1.12 -3.45 115.64 115.17 1k3t s THR 244 Ca 0.02 -1.19 -0.09 0.00 -1.21 0.00 0.00 61.69 59.22 1k3t s THR 244 Cb -0.04 -2.43 0.03 0.00 -1.51 0.00 0.00 72.50 68.56 1k3t s THR 244 CO -0.00 0.00 0.43 0.61 -2.21 0.00 0.00 174.62 173.44 1k3t n GLY 245 N -0.48 0.91 3.48 6.08 0.00 -1.26 -1.78 105.19 112.13 1k3t n GLY 245 Ca -0.04 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.02 1.55 0.13 1.61 0.23 -0.56 -3.67 119.30 116.58 1k3t s MET 246 Ca 0.10 -1.45 0.07 0.00 -1.03 0.00 0.00 55.69 53.38 1k3t s MET 246 Cb -0.01 0.42 -0.04 0.00 -1.53 0.00 0.00 34.83 33.67 1k3t s MET 246 CO 0.02 -0.62 -0.17 0.45 -2.03 0.00 0.00 175.02 172.67 1k3t s SER 247 N -3.10 2.30 -0.19 -1.18 0.15 0.17 -1.50 113.70 110.35 1k3t s SER 247 Ca 0.28 -0.79 0.01 0.00 0.70 0.00 0.00 55.95 56.14 1k3t s SER 247 Cb 0.01 -0.11 0.04 0.00 -1.71 0.00 0.00 66.02 64.25 1k3t s SER 247 CO 0.12 -0.07 -0.10 -0.36 1.20 0.00 0.00 173.24 174.03 1k3t s PHE 248 N -1.89 2.34 -0.28 3.44 0.08 -0.76 0.72 117.98 121.63 1k3t s PHE 248 Ca 0.10 -1.53 -0.24 0.00 0.12 0.00 0.00 56.93 55.38 1k3t s PHE 248 Cb -0.06 -1.61 -0.00 0.00 -0.57 0.00 0.00 43.02 40.78 1k3t s PHE 248 CO 0.04 -0.73 0.82 1.03 -0.10 0.00 0.00 175.22 176.28 1k3t s ARG 249 N 1.42 4.05 0.24 0.44 0.52 0.20 -1.28 118.95 124.54 1k3t s ARG 249 Ca -0.01 0.74 0.10 0.00 -0.52 0.00 0.00 55.73 56.05 1k3t s ARG 249 Cb -0.16 -3.70 -0.05 0.00 0.52 0.00 0.00 34.95 31.57 1k3t s ARG 249 CO -0.08 -0.63 -0.12 0.14 0.02 0.00 0.00 175.30 174.62 1k3t s VAL 250 N 2.96 2.93 -0.86 3.52 -7.23 -0.05 -0.57 120.40 121.09 1k3t s VAL 250 Ca 0.34 -2.02 -0.07 0.00 -1.81 0.00 0.00 61.98 58.42 1k3t s VAL 250 Cb -0.14 -2.51 -0.14 0.00 0.56 0.00 0.00 36.38 34.15 1k3t s VAL 250 CO 0.11 -0.28 2.92 -2.65 -0.31 0.00 0.00 175.10 174.89 1k3t n PRO 251 N -0.41 2.65 -4.77 4.82 -0.02 -1.25 -2.88 135.00 133.14 1k3t n PRO 251 Ca -0.08 -1.55 -0.31 0.00 -2.02 0.00 0.00 63.50 59.54 1k3t n PRO 251 Cb 0.58 -2.40 -0.13 0.00 -0.02 0.00 0.00 33.50 31.53 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 2.03 2.82 -0.37 3.45 -4.23 -1.26 -4.96 115.64 113.12 1k3t s THR 252 Ca 0.60 -1.05 0.26 0.00 -1.18 0.00 0.00 61.69 60.32 1k3t s THR 252 Cb 0.21 -2.15 0.34 0.00 1.34 0.00 0.00 72.50 72.23 1k3t s THR 252 CO -0.03 0.43 1.71 1.55 -0.54 0.00 0.00 174.62 177.73 1k3t h PRO 253 N 4.82 0.00 -1.75 3.99 0.13 -1.89 -2.31 132.00 135.00 1k3t h PRO 253 Ca -0.47 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.82 1k3t h PRO 253 Cb 1.15 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.09 1k3t h PRO 253 CO 0.48 0.00 0.64 0.34 -0.23 0.00 0.00 178.00 179.23 1k3t s ASP 254 N -5.83 -0.27 0.00 1.44 2.15 -1.26 -4.56 116.67 108.33 1k3t s ASP 254 Ca 0.06 0.11 0.00 0.00 0.43 0.00 0.00 52.55 53.16 1k3t s ASP 254 Cb 0.07 0.26 0.00 0.00 -0.30 0.00 0.00 42.92 42.95 1k3t s ASP 254 CO 0.63 -0.38 0.00 0.52 -0.17 0.00 0.00 175.17 175.76 1k3t n VAL 255 N 0.13 -0.19 -4.36 1.11 0.31 -1.26 -4.83 118.33 109.23 1k3t n VAL 255 Ca -0.06 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.08 1k3t n VAL 255 Cb 0.59 -0.19 -0.09 0.00 -0.91 0.00 0.00 33.84 33.24 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 -0.13 1.68 -0.09 4.52 0.01 -0.31 -3.66 113.70 115.72 1k3t s SER 256 Ca 0.00 -1.52 -0.06 0.00 1.31 0.00 0.00 55.95 55.68 1k3t s SER 256 Cb 0.00 0.31 0.03 0.00 0.21 0.00 0.00 66.02 66.57 1k3t s SER 256 CO 0.00 -0.83 0.22 0.54 0.41 0.00 0.00 173.24 173.57 1k3t s VAL 257 N -3.57 -0.02 -0.20 3.43 0.11 0.67 -1.76 120.40 119.06 1k3t s VAL 257 Ca 0.35 0.08 -0.14 0.00 -2.93 0.00 0.00 61.98 59.34 1k3t s VAL 257 Cb 0.06 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.54 1k3t s VAL 257 CO 0.16 0.03 0.30 -0.69 -3.33 0.00 0.00 175.10 171.58 1k3t s VAL 258 N 0.67 5.27 -0.43 2.04 1.01 0.91 -0.14 120.40 129.73 1k3t s VAL 258 Ca -0.05 0.52 0.04 0.00 0.00 0.00 0.00 61.98 62.49 1k3t s VAL 258 Cb -0.06 -3.64 0.12 0.00 0.00 0.00 0.00 36.38 32.80 1k3t s VAL 258 CO -0.04 0.31 0.16 -0.62 0.00 0.00 0.00 175.10 174.92 1k3t s ASP 259 N 0.90 4.48 -0.20 3.32 2.15 0.68 -0.65 116.67 127.34 1k3t s ASP 259 Ca 0.15 -2.59 -0.09 0.00 0.43 0.00 0.00 52.55 50.45 1k3t s ASP 259 Cb -0.14 -1.59 -0.05 0.00 -0.30 0.00 0.00 42.92 40.84 1k3t s ASP 259 CO 0.06 -0.30 0.11 -0.22 -0.17 0.00 0.00 175.17 174.65 1k3t s LEU 260 N 0.30 4.05 -0.12 -1.34 2.96 -0.07 -0.66 118.68 123.80 1k3t s LEU 260 Ca 0.14 0.15 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 1k3t s LEU 260 Cb -0.23 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.40 1k3t s LEU 260 CO -0.04 0.15 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.08 1k3t s THR 261 N 0.54 2.65 0.18 3.68 2.01 0.15 -0.32 115.64 124.54 1k3t s THR 261 Ca 0.06 -0.80 -0.10 0.00 0.31 0.00 0.00 61.69 61.16 1k3t s THR 261 Cb -0.12 -2.08 -0.01 0.00 0.01 0.00 0.00 72.50 70.30 1k3t s THR 261 CO 0.00 0.53 0.33 0.72 -0.69 0.00 0.00 174.62 175.52 1k3t s PHE 262 N 0.43 0.37 -0.18 4.92 -0.71 0.07 -0.43 117.98 122.45 1k3t s PHE 262 Ca -0.13 -0.73 -0.00 0.00 -1.04 0.00 0.00 56.93 55.04 1k3t s PHE 262 Cb -0.17 0.00 0.01 0.00 -1.21 0.00 0.00 43.02 41.66 1k3t s PHE 262 CO 0.06 -0.78 -0.15 0.95 -1.34 0.00 0.00 175.22 173.96 1k3t s THR 263 N -3.97 2.55 0.68 -4.49 -4.23 0.43 -1.68 115.64 104.92 1k3t s THR 263 Ca 0.18 -0.79 -0.16 0.00 -1.18 0.00 0.00 61.69 59.74 1k3t s THR 263 Cb 0.02 -2.09 0.01 0.00 1.34 0.00 0.00 72.50 71.78 1k3t s THR 263 CO 0.01 0.51 1.19 0.00 -0.54 0.00 0.00 174.62 175.79 1k3t s ALA 264 N 1.16 2.30 -1.02 3.99 0.00 -0.49 0.73 121.76 128.42 1k3t s ALA 264 Ca 0.01 0.84 0.26 0.00 0.00 0.00 0.00 51.96 53.07 1k3t s ALA 264 Cb -0.14 -3.43 1.14 0.00 0.00 0.00 0.00 23.12 20.69 1k3t s ALA 264 CO -0.06 -1.57 1.85 0.00 0.00 0.00 0.00 175.76 175.98 1k3t n ALA 265 N -2.38 2.22 -3.44 0.00 0.00 -0.30 -4.35 120.51 112.26 1k3t n ALA 265 Ca 0.13 -0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.36 1k3t n ALA 265 Cb 0.50 -1.43 -0.02 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 -2.98 1.33 0.40 0.00 1.04 -1.23 -5.02 118.95 112.48 1k3t s ARG 266 Ca 0.13 -0.56 -0.27 0.00 -1.04 0.00 0.00 55.73 54.00 1k3t s ARG 266 Cb 0.17 0.58 -0.10 0.00 -2.04 0.00 0.00 34.95 33.56 1k3t s ARG 266 CO 0.48 -0.58 1.37 -0.25 -0.04 0.00 0.00 175.30 176.28 1k3t n ASP 267 N -0.38 3.10 0.00 -2.89 8.00 -1.26 -4.83 116.55 118.29 1k3t n ASP 267 Ca -0.15 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.51 1k3t n ASP 267 Cb 0.64 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.19 1k3t n ASP 267 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1k3t n THR 268 N 0.06 0.00 -3.53 -3.53 5.66 0.21 -5.04 114.28 108.11 1k3t n THR 268 Ca 0.04 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.93 1k3t n THR 268 Cb 0.39 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.14 1k3t n THR 268 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1k3t s SER 269 N 1.73 -0.43 0.37 1.09 1.04 -1.26 -4.29 113.70 111.95 1k3t s SER 269 Ca 0.00 -0.16 0.09 0.00 0.48 0.00 0.00 55.95 56.36 1k3t s SER 269 Cb 0.00 0.57 0.74 0.00 0.10 0.00 0.00 66.02 67.43 1k3t s SER 269 CO 0.00 -0.97 1.88 -0.29 0.98 0.00 0.00 173.24 174.85 1k3t h ILE 270 N 2.12 1.20 -0.58 -1.02 6.09 -1.95 -2.15 117.51 121.21 1k3t h ILE 270 Ca -0.33 -0.89 -0.00 0.00 -1.37 0.00 0.00 64.86 62.28 1k3t h ILE 270 Cb 1.29 1.27 -0.03 0.00 0.47 0.00 0.00 36.82 39.82 1k3t h ILE 270 CO 0.40 0.27 0.36 1.56 -3.07 0.00 0.00 178.15 177.67 1k3t h GLN 271 N 0.23 0.79 -0.35 2.19 7.50 -1.97 -0.73 115.11 122.77 1k3t h GLN 271 Ca 0.04 -0.07 -0.12 0.00 0.50 0.00 0.00 58.65 59.01 1k3t h GLN 271 Cb 0.43 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.78 1k3t h GLN 271 CO 0.03 0.56 -0.26 1.05 -1.50 0.00 0.00 178.83 178.71 1k3t h GLU 272 N 0.79 0.71 -0.23 1.46 4.11 -1.82 -1.08 114.58 118.52 1k3t h GLU 272 Ca 0.21 -0.30 -0.01 0.00 0.07 0.00 0.00 59.36 59.33 1k3t h GLU 272 Cb -0.03 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1k3t h GLU 272 CO -0.04 0.89 0.08 0.82 0.07 0.00 0.00 179.01 180.84 1k3t h ILE 273 N 0.61 1.17 -0.26 -1.06 2.04 -1.22 -1.23 117.51 117.57 1k3t h ILE 273 Ca 0.08 -0.54 0.06 0.00 1.00 0.00 0.00 64.86 65.46 1k3t h ILE 273 Cb 0.76 1.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.89 1k3t h ILE 273 CO 0.06 0.18 -0.12 -0.78 0.00 0.00 0.00 178.15 177.48 1k3t h ASP 274 N 0.21 -0.42 -0.89 1.72 3.58 -0.98 0.90 116.42 120.54 1k3t h ASP 274 Ca 0.07 0.10 0.01 0.00 0.42 0.00 0.00 57.03 57.63 1k3t h ASP 274 Cb 0.19 0.23 -0.04 0.00 1.72 0.00 0.00 39.33 41.43 1k3t h ASP 274 CO -0.00 -0.16 0.58 0.00 -2.88 0.00 0.00 179.24 176.77 1k3t h ALA 275 N 1.12 1.13 -0.21 -0.78 0.00 -1.02 -1.82 119.26 117.68 1k3t h ALA 275 Ca 0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1k3t h ALA 275 Cb 0.30 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1k3t h ALA 275 CO -0.32 0.54 0.05 0.00 0.00 0.00 0.00 179.25 179.52 1k3t h ALA 276 N 1.32 0.27 -0.19 0.00 0.00 -0.50 -1.27 119.26 118.89 1k3t h ALA 276 Ca 0.32 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1k3t h ALA 276 Cb -0.12 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.53 1k3t h ALA 276 CO -0.07 -0.07 -0.24 -0.07 0.00 0.00 0.00 179.25 178.80 1k3t h LEU 277 N 0.15 -0.76 -0.42 0.00 3.38 -0.67 0.06 115.31 117.04 1k3t h LEU 277 Ca 0.06 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.20 1k3t h LEU 277 Cb 0.29 0.35 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1k3t h LEU 277 CO 0.00 -0.28 0.20 0.11 0.09 0.00 0.00 178.44 178.56 1k3t h LYS 278 N -0.27 0.39 -0.52 1.13 1.57 -1.25 -1.80 116.57 115.81 1k3t h LYS 278 Ca 0.12 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1k3t h LYS 278 Cb 0.46 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1k3t h LYS 278 CO -0.35 0.26 0.27 -0.09 -0.57 0.00 0.00 179.45 178.97 1k3t h ARG 279 N 0.40 0.73 -0.80 3.15 2.43 -1.03 -2.79 114.38 116.48 1k3t h ARG 279 Ca 0.19 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1k3t h ARG 279 Cb 0.11 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 1k3t h ARG 279 CO -0.14 0.58 0.38 0.00 -1.51 0.00 0.00 179.97 179.28 1k3t h ALA 280 N 1.11 1.03 0.00 2.80 0.00 -0.81 -2.41 119.26 120.99 1k3t h ALA 280 Ca 0.18 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1k3t h ALA 280 Cb 0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1k3t h ALA 280 CO -0.03 0.61 -0.18 0.66 0.00 0.00 0.00 179.25 180.31 1k3t h SER 281 N 1.14 0.00 0.72 0.00 4.64 -1.23 0.31 113.55 119.13 1k3t h SER 281 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1k3t h SER 281 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1k3t h SER 281 CO -0.03 0.18 -0.27 0.29 -0.87 0.00 0.00 176.83 176.13 1k3t n LYS 282 N -4.15 0.02 0.00 4.77 5.02 -0.95 -3.33 118.16 119.54 1k3t n LYS 282 Ca -0.02 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1k3t n LYS 282 Cb 0.25 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1k3t n LYS 282 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1k3t n THR 283 N -1.48 0.00 0.44 -0.18 -2.24 -0.02 -4.78 114.28 106.02 1k3t n THR 283 Ca 0.06 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.95 1k3t n THR 283 Cb 0.34 0.00 0.45 0.00 -2.10 0.00 0.00 70.33 69.02 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 0.64 0.24 4.78 4.11 -1.18 -1.71 117.16 124.04 1k3t n TYR 284 Ca 0.00 0.25 0.11 0.00 -0.00 0.00 0.00 57.90 58.26 1k3t n TYR 284 Cb 0.00 -0.90 0.21 0.00 -0.00 0.00 0.00 39.34 38.66 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 -2.08 2.49 -1.63 -3.48 2.81 -0.51 -4.98 117.12 109.74 1k3t n MET 285 Ca 0.03 -2.28 -0.50 0.00 -1.81 0.00 0.00 57.70 53.13 1k3t n MET 285 Cb 0.23 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.18 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 1.45 1.55 0.00 0.03 4.81 -0.69 0.33 118.16 125.64 1k3t n LYS 286 Ca 0.19 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 1k3t n LYS 286 Cb 0.60 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 33.39 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 3.04 2.28 0.56 3.14 0.00 -1.26 -4.76 105.19 108.18 1k3t n GLY 287 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 1.03 -3.95 -0.61 2.08 0.15 -4.39 119.36 111.66 1k3t n ILE 288 Ca 0.00 -0.01 -0.35 0.00 0.56 0.00 0.00 62.75 62.95 1k3t n ILE 288 Cb 0.00 -1.81 -0.10 0.00 -0.75 0.00 0.00 39.64 36.97 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 -7.06 3.78 0.00 1.39 2.96 -0.49 -0.05 118.68 119.22 1k3t s LEU 289 Ca -0.18 0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 1k3t s LEU 289 Cb 0.05 -1.97 0.01 0.00 0.50 0.00 0.00 46.19 44.78 1k3t s LEU 289 CO 0.24 0.14 0.06 0.61 -1.32 0.00 0.00 176.35 176.08 1k3t n GLY 290 N 3.78 3.59 3.40 7.98 0.00 0.29 -4.54 105.19 119.69 1k3t n GLY 290 Ca -0.16 -2.29 -0.10 0.00 0.00 0.00 0.00 46.02 43.48 1k3t n GLY 290 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1k3t s TYR 291 N -1.88 0.13 0.05 1.61 1.13 -1.26 -1.34 117.35 115.79 1k3t s TYR 291 Ca 0.05 -0.49 0.01 0.00 -1.41 0.00 0.00 57.07 55.23 1k3t s TYR 291 Cb -0.00 0.14 -0.03 0.00 -1.10 0.00 0.00 41.96 40.97 1k3t s TYR 291 CO 0.03 -0.78 -0.06 -0.08 -2.51 0.00 0.00 175.55 172.15 1k3t s THR 292 N -3.91 0.46 -0.07 -3.49 -1.32 -0.45 -4.90 115.64 101.96 1k3t s THR 292 Ca 0.12 -1.39 0.11 0.00 -1.21 0.00 0.00 61.69 59.32 1k3t s THR 292 Cb 0.02 -0.97 0.19 0.00 -1.51 0.00 0.00 72.50 70.23 1k3t s THR 292 CO -0.03 -0.63 1.09 -0.90 -2.21 0.00 0.00 174.62 171.95 1k3t n ASP 293 N 0.88 1.10 -4.97 8.08 3.85 -1.26 -1.59 116.55 122.65 1k3t n ASP 293 Ca -0.19 -2.56 -0.18 0.00 -0.71 0.00 0.00 54.79 51.15 1k3t n ASP 293 Cb 0.57 -0.32 -0.00 0.00 -1.35 0.00 0.00 41.12 40.02 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 -1.32 2.79 -1.27 0.11 2.02 -1.26 -4.74 118.70 115.03 1k3t s GLU 294 Ca 0.19 -1.28 -0.12 0.00 0.02 0.00 0.00 54.97 53.78 1k3t s GLU 294 Cb 0.18 -2.67 0.16 0.00 0.10 0.00 0.00 34.13 31.90 1k3t s GLU 294 CO -0.01 -0.19 1.73 0.39 0.02 0.00 0.00 175.26 177.19 1k3t n GLU 295 N -1.73 3.46 -3.49 1.61 -0.58 -1.26 -4.86 120.64 113.79 1k3t n GLU 295 Ca 0.05 -3.58 -0.25 0.00 -0.42 0.00 0.00 57.16 52.96 1k3t n GLU 295 Cb 0.60 -3.02 -0.02 0.00 -0.57 0.00 0.00 31.44 28.43 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 0.85 4.10 0.46 -4.62 1.43 -1.26 -5.11 118.68 114.52 1k3t s LEU 296 Ca 0.42 0.46 0.03 0.00 -1.03 0.00 0.00 54.13 54.01 1k3t s LEU 296 Cb 0.05 -3.28 -0.02 0.00 0.03 0.00 0.00 46.19 42.97 1k3t s LEU 296 CO 0.00 -0.20 0.09 0.68 0.23 0.00 0.00 176.35 177.15 1k3t s VAL 297 N -2.14 0.77 0.22 -1.59 -7.23 -1.26 -5.03 120.40 104.14 1k3t s VAL 297 Ca 0.40 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.48 1k3t s VAL 297 Cb -0.10 -2.24 0.19 0.00 0.56 0.00 0.00 36.38 34.79 1k3t s VAL 297 CO 0.33 0.00 1.88 0.77 -0.31 0.00 0.00 175.10 177.77 1k3t h SER 298 N 1.59 0.99 -0.13 4.85 4.64 -1.97 -1.20 113.55 122.32 1k3t h SER 298 Ca -0.38 -0.04 0.04 0.00 -0.47 0.00 0.00 61.79 60.93 1k3t h SER 298 Cb 1.29 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 1k3t h SER 298 CO 0.62 0.74 0.11 0.00 -0.87 0.00 0.00 176.83 177.43 1k3t h ALA 299 N 1.29 2.01 0.00 5.18 0.00 -1.97 -0.56 119.26 125.21 1k3t h ALA 299 Ca 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1k3t h ALA 299 Cb -0.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1k3t h ALA 299 CO -0.06 -0.18 0.00 -0.25 0.00 0.00 0.00 179.25 178.76 1k3t n ASP 300 N -4.31 0.51 -0.51 0.00 8.00 -0.45 -2.36 116.55 117.42 1k3t n ASP 300 Ca 0.00 0.67 0.12 0.00 0.71 0.00 0.00 54.79 56.30 1k3t n ASP 300 Cb 0.23 -0.76 0.22 0.00 -0.02 0.00 0.00 41.12 40.78 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 -2.11 0.00 -1.78 1.24 3.01 -0.22 -4.86 117.46 112.74 1k3t n PHE 301 Ca 0.01 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.05 1k3t n PHE 301 Cb 0.13 -0.04 -0.03 0.00 -0.01 0.00 0.00 39.48 39.54 1k3t n PHE 301 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1k3t s ILE 302 N -2.32 2.13 -0.40 4.37 1.01 -1.00 -0.82 121.20 124.18 1k3t s ILE 302 Ca 0.25 0.10 0.00 0.00 0.00 0.00 0.00 60.65 61.00 1k3t s ILE 302 Cb 0.19 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.60 1k3t s ILE 302 CO 0.47 0.01 0.00 0.59 0.00 0.00 0.00 174.94 176.01 1k3t n ASN 303 N 3.44 -3.94 -4.71 3.58 3.02 -1.26 -5.02 115.26 110.37 1k3t n ASN 303 Ca 0.13 0.09 -0.42 0.00 -0.03 0.00 0.00 54.58 54.36 1k3t n ASN 303 Cb 0.36 -1.77 -0.03 0.00 -0.61 0.00 0.00 39.78 37.73 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 7.12 0.00 6.41 -1.08 0.00 -4.92 116.67 121.71 1k3t s ASP 304 Ca 0.00 1.97 0.22 0.00 -0.52 0.00 0.00 52.55 54.22 1k3t s ASP 304 Cb 0.00 -2.58 0.54 0.00 -1.46 0.00 0.00 42.92 39.42 1k3t s ASP 304 CO 0.00 -0.44 1.45 -0.46 0.52 0.00 0.00 175.17 176.24 1k3t n ASN 305 N 3.93 2.71 -4.73 -0.34 2.04 -1.26 -3.70 115.26 113.91 1k3t n ASN 305 Ca 0.09 -1.88 -0.30 0.00 -0.44 0.00 0.00 54.58 52.04 1k3t n ASN 305 Cb 0.47 -0.17 0.13 0.00 -2.53 0.00 0.00 39.78 37.67 1k3t n ASN 305 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1k3t s ARG 306 N -1.65 1.49 0.15 -3.83 3.00 -1.26 -4.58 118.95 112.26 1k3t s ARG 306 Ca 0.35 0.86 0.14 0.00 0.00 0.00 0.00 55.73 57.08 1k3t s ARG 306 Cb 0.20 -1.83 -0.08 0.00 0.00 0.00 0.00 34.95 33.24 1k3t s ARG 306 CO 0.29 -2.09 1.15 0.77 0.00 0.00 0.00 175.30 175.42 1k3t h SER 307 N -1.44 0.00 -3.30 0.23 0.02 -0.67 -3.39 113.55 105.00 1k3t h SER 307 Ca -0.48 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.39 1k3t h SER 307 Cb 1.27 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.57 1k3t h SER 307 CO 0.54 0.68 -0.18 -0.55 -1.14 0.00 0.00 176.83 176.18 1k3t s SER 308 N -6.27 -0.63 -0.37 3.07 0.15 -1.01 -3.45 113.70 105.19 1k3t s SER 308 Ca 0.00 1.08 0.03 0.00 0.70 0.00 0.00 55.95 57.76 1k3t s SER 308 Cb 0.08 0.99 0.11 0.00 -1.71 0.00 0.00 66.02 65.49 1k3t s SER 308 CO 0.79 -0.20 0.11 -0.63 1.20 0.00 0.00 173.24 174.51 1k3t s ILE 309 N 1.24 1.91 0.08 6.45 1.09 0.11 -0.54 121.20 131.53 1k3t s ILE 309 Ca -0.08 -2.29 -0.34 0.00 -1.10 0.00 0.00 60.65 56.84 1k3t s ILE 309 Cb -0.07 -2.40 -0.13 0.00 -1.06 0.00 0.00 42.46 38.81 1k3t s ILE 309 CO -0.12 -0.68 1.68 0.00 -0.10 0.00 0.00 174.94 175.72 1k3t n TYR 310 N 4.15 2.28 -3.22 3.97 9.36 -0.45 -0.90 117.16 132.36 1k3t n TYR 310 Ca 0.03 0.18 -0.46 0.00 3.32 0.00 0.00 57.90 60.97 1k3t n TYR 310 Cb 0.40 -2.58 -0.03 0.00 -0.63 0.00 0.00 39.34 36.50 1k3t n TYR 310 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1k3t s ASP 311 N 1.97 6.53 0.09 2.98 -1.08 0.14 -1.34 116.67 125.96 1k3t s ASP 311 Ca 0.84 -2.18 -0.22 0.00 -0.52 0.00 0.00 52.55 50.46 1k3t s ASP 311 Cb -0.69 -2.26 -0.13 0.00 -1.46 0.00 0.00 42.92 38.38 1k3t s ASP 311 CO 0.43 -0.81 1.73 -1.28 0.52 0.00 0.00 175.17 175.76 1k3t h SER 312 N 8.42 0.06 -0.41 -0.34 0.87 -1.59 0.41 113.55 120.98 1k3t h SER 312 Ca -0.04 -0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.43 1k3t h SER 312 Cb 1.06 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.99 1k3t h SER 312 CO 0.93 0.06 -0.06 0.11 -0.53 0.00 0.00 176.83 177.33 1k3t h LYS 313 N 0.05 0.76 -0.27 2.24 1.79 -1.85 0.32 116.57 119.62 1k3t h LYS 313 Ca 0.02 -0.28 -0.06 0.00 -2.18 0.00 0.00 60.65 58.16 1k3t h LYS 313 Cb 0.01 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 1k3t h LYS 313 CO -0.00 0.88 -0.07 0.00 -1.08 0.00 0.00 179.45 179.17 1k3t h ALA 314 N 0.86 1.38 0.25 3.86 0.00 -1.89 0.16 119.26 123.87 1k3t h ALA 314 Ca 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1k3t h ALA 314 Cb 0.58 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1k3t h ALA 314 CO 0.03 0.43 -0.12 1.15 0.00 0.00 0.00 179.25 180.74 1k3t h THR 315 N 0.41 0.59 0.00 0.00 2.02 -0.67 -3.02 112.91 112.24 1k3t h THR 315 Ca 0.08 -0.90 -0.01 0.00 0.77 0.00 0.00 66.41 66.35 1k3t h THR 315 Cb 0.39 0.97 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1k3t h THR 315 CO 0.02 0.14 -0.06 -0.07 0.37 0.00 0.00 175.52 175.92 1k3t h LEU 316 N -0.92 0.00 0.00 2.58 3.38 -0.10 -2.56 115.31 117.69 1k3t h LEU 316 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1k3t h LEU 316 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1k3t h LEU 316 CO 0.06 0.06 -0.49 0.00 0.09 0.00 0.00 178.44 178.16 1k3t n GLN 317 N -4.44 0.23 -0.46 1.13 6.02 0.53 -4.27 117.38 116.12 1k3t n GLN 317 Ca -0.03 0.08 0.06 0.00 -0.01 0.00 0.00 57.00 57.10 1k3t n GLN 317 Cb 0.15 -1.66 0.19 0.00 1.02 0.00 0.00 30.24 29.93 1k3t n GLN 317 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1k3t n ASN 318 N -2.00 2.18 -4.87 1.08 3.02 -0.97 -5.03 115.26 108.68 1k3t n ASN 318 Ca 0.04 -3.58 -0.21 0.00 -0.03 0.00 0.00 54.58 50.81 1k3t n ASN 318 Cb 0.42 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 39.04 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 -2.93 5.25 -0.10 6.41 0.01 -1.23 -4.88 114.94 117.48 1k3t s ASN 319 Ca 0.38 -0.55 -0.30 0.00 -0.71 0.00 0.00 52.86 51.68 1k3t s ASN 319 Cb 0.35 -0.87 -0.03 0.00 0.41 0.00 0.00 41.25 41.11 1k3t s ASN 319 CO -0.02 -0.44 1.23 -0.76 -1.51 0.00 0.00 177.10 175.60 1k3t s LEU 320 N -4.04 4.24 0.16 0.60 1.43 -1.26 -4.98 118.68 114.83 1k3t s LEU 320 Ca 0.43 1.77 -0.33 0.00 -1.03 0.00 0.00 54.13 54.97 1k3t s LEU 320 Cb -0.05 -3.55 -0.13 0.00 0.03 0.00 0.00 46.19 42.49 1k3t s LEU 320 CO 0.27 -0.65 1.65 -0.81 0.23 0.00 0.00 176.35 177.04 1k3t n PRO 321 N 5.73 2.38 -0.97 1.29 -0.04 -1.26 -1.67 135.00 140.46 1k3t n PRO 321 Ca 0.12 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.44 1k3t n PRO 321 Cb 0.46 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 1k3t n PRO 321 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1k3t n LYS 322 N 3.88 -0.64 -1.82 0.54 5.02 -1.26 -4.97 118.16 118.92 1k3t n LYS 322 Ca 0.17 0.16 -0.41 0.00 -2.02 0.00 0.00 58.31 56.21 1k3t n LYS 322 Cb 0.31 -3.67 -0.01 0.00 -0.02 0.00 0.00 35.03 31.64 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 -0.69 4.14 -0.02 1.97 2.56 -0.67 -4.90 118.70 121.08 1k3t s GLU 323 Ca 0.00 2.54 0.09 0.00 0.00 0.00 0.00 54.97 57.60 1k3t s GLU 323 Cb 0.00 -3.00 -0.14 0.00 2.00 0.00 0.00 34.13 32.99 1k3t s GLU 323 CO 0.00 -0.55 0.18 0.54 -0.56 0.00 0.00 175.26 174.87 1k3t n ARG 324 N 1.31 0.60 0.00 4.30 5.12 -1.26 -4.38 116.66 122.34 1k3t n ARG 324 Ca 0.04 -0.07 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 1k3t n ARG 324 Cb 0.39 -1.22 0.00 0.00 -1.16 0.00 0.00 32.46 30.47 1k3t n ARG 324 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1k3t n ARG 325 N -1.89 2.46 -3.60 5.56 5.12 -1.26 -0.62 116.66 122.43 1k3t n ARG 325 Ca -0.03 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.49 1k3t n ARG 325 Cb 0.31 -0.87 -0.10 0.00 -1.16 0.00 0.00 32.46 30.65 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 -1.74 3.40 0.19 -1.55 5.36 -1.26 -1.40 117.98 120.97 1k3t s PHE 326 Ca 0.00 -1.76 0.05 0.00 -0.96 0.00 0.00 56.93 54.26 1k3t s PHE 326 Cb 0.00 -3.19 -0.05 0.00 -0.34 0.00 0.00 43.02 39.44 1k3t s PHE 326 CO 0.00 -0.92 -0.09 -0.06 -1.46 0.00 0.00 175.22 172.69 1k3t s PHE 327 N 1.37 1.48 -0.07 10.12 0.08 -0.68 -4.74 117.98 125.53 1k3t s PHE 327 Ca 0.04 -0.74 0.04 0.00 0.12 0.00 0.00 56.93 56.40 1k3t s PHE 327 Cb -0.24 -0.76 -0.01 0.00 -0.57 0.00 0.00 43.02 41.43 1k3t s PHE 327 CO 0.00 0.14 -0.21 0.21 -0.10 0.00 0.00 175.22 175.26 1k3t s LYS 328 N -3.74 2.71 -0.04 0.44 2.20 -1.26 -0.75 119.74 119.29 1k3t s LYS 328 Ca 0.21 -0.83 0.04 0.00 -0.36 0.00 0.00 55.97 55.03 1k3t s LYS 328 Cb 0.02 -2.29 -0.00 0.00 -1.51 0.00 0.00 37.83 34.05 1k3t s LYS 328 CO 0.04 0.39 -0.16 0.42 -0.36 0.00 0.00 175.35 175.68 1k3t s ILE 329 N -0.16 1.34 -0.15 5.43 1.01 0.57 -4.90 121.20 124.34 1k3t s ILE 329 Ca -0.03 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 59.94 1k3t s ILE 329 Cb -0.14 -1.16 -0.02 0.00 0.01 0.00 0.00 42.46 41.16 1k3t s ILE 329 CO 0.04 0.39 -0.10 -0.69 0.00 0.00 0.00 174.94 174.58 1k3t s VAL 330 N 0.07 3.26 -0.12 2.92 1.01 -1.26 -0.90 120.40 125.39 1k3t s VAL 330 Ca -0.04 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.28 1k3t s VAL 330 Cb -0.11 -2.41 0.04 0.00 0.00 0.00 0.00 36.38 33.90 1k3t s VAL 330 CO 0.02 0.50 0.31 -0.55 0.00 0.00 0.00 175.10 175.38 1k3t s SER 331 N 0.60 -0.35 0.38 3.32 0.15 0.18 -0.68 113.70 117.30 1k3t s SER 331 Ca -0.06 0.65 0.02 0.00 0.70 0.00 0.00 55.95 57.27 1k3t s SER 331 Cb -0.15 0.60 -0.01 0.00 -1.71 0.00 0.00 66.02 64.74 1k3t s SER 331 CO 0.03 -0.14 0.56 0.26 1.20 0.00 0.00 173.24 175.15 1k3t s TRP 332 N 0.71 3.28 -0.28 3.44 0.52 -0.08 -0.06 118.94 126.47 1k3t s TRP 332 Ca -0.04 0.12 -0.20 0.00 0.02 0.00 0.00 56.10 55.99 1k3t s TRP 332 Cb -0.06 -2.07 0.08 0.00 -1.15 0.00 0.00 33.47 30.27 1k3t s TRP 332 CO -0.05 -0.09 0.74 1.52 0.02 0.00 0.00 176.95 179.09 1k3t s TYR 333 N -2.35 -0.90 -0.68 -1.98 1.13 -0.72 -0.72 117.35 111.13 1k3t s TYR 333 Ca 0.44 1.95 -0.27 0.00 -1.41 0.00 0.00 57.07 57.78 1k3t s TYR 333 Cb -0.10 0.46 0.04 0.00 -1.10 0.00 0.00 41.96 41.26 1k3t s TYR 333 CO 0.35 -0.44 1.20 0.34 -2.51 0.00 0.00 175.55 174.49 1k3t s ASP 334 N 1.03 6.24 0.24 -0.18 -1.08 -1.26 -1.16 116.67 120.49 1k3t s ASP 334 Ca -0.05 -0.39 -0.06 0.00 -0.52 0.00 0.00 52.55 51.53 1k3t s ASP 334 Cb -0.05 -2.53 0.35 0.00 -1.46 0.00 0.00 42.92 39.23 1k3t s ASP 334 CO -0.10 -1.68 1.81 -0.55 0.52 0.00 0.00 175.17 175.17 1k3t h ASN 335 N 9.82 0.64 0.78 -0.34 -1.07 -1.90 -2.12 115.58 121.39 1k3t h ASN 335 Ca -0.27 0.04 -0.04 0.00 0.07 0.00 0.00 56.30 56.10 1k3t h ASN 335 Cb 1.06 -0.08 0.01 0.00 -2.07 0.00 0.00 38.32 37.23 1k3t h ASN 335 CO 1.24 0.38 -0.39 -0.33 0.07 0.00 0.00 177.43 178.39 1k3t h GLU 336 N 0.76 -1.03 0.07 4.14 5.08 -1.98 -3.37 114.58 118.26 1k3t h GLU 336 Ca 0.37 0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1k3t h GLU 336 Cb 0.31 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1k3t h GLU 336 CO -0.23 -0.68 -0.03 2.35 -1.00 0.00 0.00 179.01 179.41 1k3t h TRP 337 N -1.06 -0.09 -0.12 4.33 2.91 -1.82 -2.64 115.95 117.46 1k3t h TRP 337 Ca -0.11 -0.00 0.04 0.00 1.13 0.00 0.00 58.89 59.95 1k3t h TRP 337 Cb 0.82 0.03 -0.05 0.00 -0.51 0.00 0.00 29.16 29.45 1k3t h TRP 337 CO 0.03 0.34 -0.19 0.78 -1.03 0.00 0.00 178.44 178.37 1k3t h GLY 338 N -0.55 -0.16 1.17 2.65 0.00 -1.47 -2.79 103.07 101.93 1k3t h GLY 338 Ca -0.01 0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 1k3t h GLY 338 CO 0.02 -0.18 0.46 -1.82 0.00 0.00 0.00 176.54 175.02 1k3t h TYR 339 N -0.24 1.06 -0.41 5.60 5.03 -1.73 -1.69 116.97 124.60 1k3t h TYR 339 Ca 0.10 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.36 1k3t h TYR 339 Cb 0.38 -0.35 -0.02 0.00 1.55 0.00 0.00 36.73 38.30 1k3t h TYR 339 CO -0.30 0.72 0.12 0.77 -1.32 0.00 0.00 178.16 178.16 1k3t h SER 340 N 1.11 0.60 -0.55 -2.11 0.02 -1.21 0.11 113.55 111.51 1k3t h SER 340 Ca 0.29 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1k3t h SER 340 Cb -0.02 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 1k3t h SER 340 CO -0.05 0.65 0.22 0.45 -1.14 0.00 0.00 176.83 176.96 1k3t h HIS 341 N 0.52 0.88 -0.59 3.45 3.86 -1.25 -2.10 115.15 119.92 1k3t h HIS 341 Ca 0.13 -0.06 -0.07 0.00 -1.16 0.00 0.00 60.37 59.21 1k3t h HIS 341 Cb 0.27 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 1k3t h HIS 341 CO 0.01 0.69 0.07 0.00 0.86 0.00 0.00 177.93 179.56 1k3t h ARG 342 N 0.85 0.96 -0.25 2.45 2.47 -0.51 0.36 114.38 120.72 1k3t h ARG 342 Ca 0.20 -0.25 0.05 0.00 -1.26 0.00 0.00 59.98 58.72 1k3t h ARG 342 Cb 0.20 -0.12 -0.05 0.00 -1.65 0.00 0.00 29.97 28.35 1k3t h ARG 342 CO -0.02 0.91 -0.07 0.28 0.56 0.00 0.00 179.97 181.63 1k3t h VAL 343 N 0.90 0.73 -0.47 2.04 2.07 -0.14 -0.52 116.25 120.86 1k3t h VAL 343 Ca 0.18 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 1k3t h VAL 343 Cb 0.43 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1k3t h VAL 343 CO 0.01 0.00 0.24 0.58 0.02 0.00 0.00 177.57 178.43 1k3t h VAL 344 N -0.02 1.17 -0.72 2.57 2.07 -1.14 -2.66 116.25 117.52 1k3t h VAL 344 Ca 0.12 -0.46 0.10 0.00 0.82 0.00 0.00 66.70 67.28 1k3t h VAL 344 Cb 0.20 0.63 -0.08 0.00 -1.52 0.00 0.00 31.29 30.52 1k3t h VAL 344 CO -0.26 0.19 0.34 0.44 0.02 0.00 0.00 177.57 178.29 1k3t h ASP 345 N 0.61 0.42 -0.58 0.57 3.32 -0.57 -1.75 116.42 118.43 1k3t h ASP 345 Ca 0.16 0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.20 1k3t h ASP 345 Cb 0.08 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1k3t h ASP 345 CO -0.02 0.22 0.03 0.25 -1.72 0.00 0.00 179.24 178.00 1k3t h LEU 346 N 0.56 1.00 -0.46 1.55 5.85 -0.98 0.28 115.31 123.11 1k3t h LEU 346 Ca 0.36 -0.27 -0.12 0.00 0.84 0.00 0.00 57.88 58.70 1k3t h LEU 346 Cb 0.43 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1k3t h LEU 346 CO -0.30 1.04 -0.19 0.58 -0.34 0.00 0.00 178.44 179.23 1k3t h VAL 347 N 0.95 1.27 -0.15 1.05 2.07 -1.08 0.13 116.25 120.49 1k3t h VAL 347 Ca 0.18 -1.34 -0.12 0.00 0.82 0.00 0.00 66.70 66.24 1k3t h VAL 347 Cb 0.51 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1k3t h VAL 347 CO 0.02 0.46 -0.44 0.03 0.02 0.00 0.00 177.57 177.66 1k3t h ARG 348 N 0.77 0.36 -0.24 1.57 3.08 -1.06 -0.25 114.38 118.62 1k3t h ARG 348 Ca 0.11 -0.19 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 1k3t h ARG 348 Cb 0.75 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.81 1k3t h ARG 348 CO 0.06 0.74 -0.30 1.25 -1.07 0.00 0.00 179.97 180.64 1k3t h HIS 349 N 0.30 0.77 -0.94 3.04 2.76 -0.48 -2.10 115.15 118.49 1k3t h HIS 349 Ca 0.02 -0.25 0.01 0.00 -2.20 0.00 0.00 60.37 57.95 1k3t h HIS 349 Cb 0.90 -0.15 -0.05 0.00 1.55 0.00 0.00 27.41 29.66 1k3t h HIS 349 CO 0.02 0.98 0.61 0.52 -1.30 0.00 0.00 177.93 178.77 1k3t h MET 350 N 0.33 1.25 -0.50 5.26 2.86 -0.71 -1.62 114.93 121.80 1k3t h MET 350 Ca 0.03 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1k3t h MET 350 Cb 0.88 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 1k3t h MET 350 CO 0.07 0.84 0.21 0.00 1.06 0.00 0.00 176.91 179.09 1k3t h ALA 351 N 1.34 1.44 -0.19 6.32 0.00 -0.91 0.18 119.26 127.44 1k3t h ALA 351 Ca 0.34 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 1k3t h ALA 351 Cb -0.13 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 1k3t h ALA 351 CO -0.07 0.43 -0.59 0.66 0.00 0.00 0.00 179.25 179.68 1k3t h SER 352 N 0.71 0.70 -0.00 0.00 4.64 -0.61 -0.62 113.55 118.37 1k3t h SER 352 Ca 0.17 -0.39 -0.20 0.00 -0.47 0.00 0.00 61.79 60.90 1k3t h SER 352 Cb 0.12 -0.20 0.02 0.00 -0.31 0.00 0.00 62.40 62.02 1k3t h SER 352 CO -0.02 1.13 -0.77 0.11 -0.87 0.00 0.00 176.83 176.41 1k3t h LYS 353 N 0.46 0.52 -0.42 4.77 1.57 -0.66 0.76 116.57 123.57 1k3t h LYS 353 Ca -0.00 -0.56 -0.02 0.00 -1.87 0.00 0.00 60.65 58.20 1k3t h LYS 353 Cb 1.16 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.61 1k3t h LYS 353 CO 0.12 1.19 0.19 -0.44 -0.57 0.00 0.00 179.45 179.93 1k3t h ASP 354 N 0.08 0.53 0.20 0.86 3.32 -0.71 0.37 116.42 121.06 1k3t h ASP 354 Ca -0.10 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 1k3t h ASP 354 Cb 1.46 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1k3t h ASP 354 CO 0.15 0.47 -0.09 0.03 -1.72 0.00 0.00 179.24 178.07 1k3t h ARG 355 N 0.59 -0.25 -0.92 3.56 3.08 -0.90 -3.14 114.38 116.40 1k3t h ARG 355 Ca 0.15 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.27 1k3t h ARG 355 Cb 0.09 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.14 1k3t h ARG 355 CO -0.02 0.05 0.60 0.77 -1.07 0.00 0.00 179.97 180.31 1k3t h SER 356 N -0.58 0.94 0.30 7.04 0.02 -0.50 -3.12 113.55 117.66 1k3t h SER 356 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1k3t h SER 356 Cb 0.43 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 1k3t h SER 356 CO 0.04 0.61 -0.37 0.00 -1.14 0.00 0.00 176.83 175.98 1k3t h ALA 357 N 1.49 -0.76 -1.06 3.77 0.00 -0.23 -2.78 119.26 119.69 1k3t h ALA 357 Ca 0.39 -0.11 0.29 0.00 0.00 0.00 0.00 54.91 55.49 1k3t h ALA 357 Cb 0.16 0.55 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 1k3t h ALA 357 CO -0.14 -0.97 0.74 0.00 0.00 0.00 0.00 179.25 178.88 1k3t h ARG 358 N -0.72 0.14 0.00 0.00 3.08 -1.52 -3.51 114.38 111.85 1k3t h ARG 358 Ca -0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1k3t h ARG 358 Cb 0.67 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1k3t h ARG 358 CO -0.10 0.09 0.00 1.28 -1.07 0.00 0.00 179.97 180.17