#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u5i n GLY 3 N 0.00 -2.59 0.23 0.00 0.00 -1.26 -4.63 105.19 96.95 1u5i n GLY 3 Ca 0.00 -1.77 -0.03 0.00 0.00 0.00 0.00 46.02 44.22 1u5i n GLY 3 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1u5i h ILE 4 N 0.00 1.26 0.00 -0.61 -0.00 -2.06 -2.85 117.51 113.26 1u5i h ILE 4 Ca 0.00 -1.26 0.00 0.00 -0.00 0.00 0.00 64.86 63.60 1u5i h ILE 4 Cb 0.00 1.38 0.00 0.00 -0.00 0.00 0.00 36.82 38.20 1u5i h ILE 4 CO 0.00 0.39 0.00 0.00 -0.00 0.00 0.00 178.15 178.54 1u5i n ALA 5 N -2.48 1.44 -0.01 0.16 0.00 -1.26 -1.70 120.51 116.66 1u5i n ALA 5 Ca -0.01 0.13 -0.18 0.00 0.00 0.00 0.00 53.44 53.38 1u5i n ALA 5 Cb 0.40 -1.36 -0.14 0.00 0.00 0.00 0.00 19.45 18.35 1u5i n ALA 5 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1u5i h MET 6 N 0.00 0.17 -0.24 0.00 4.05 -1.76 -3.16 114.93 113.99 1u5i h MET 6 Ca 0.00 -0.29 -0.03 0.00 -0.28 0.00 0.00 59.70 59.10 1u5i h MET 6 Cb 0.23 0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.13 1u5i h MET 6 CO 0.00 1.14 0.03 -0.22 0.23 0.00 0.00 176.91 178.09 1u5i h LYS 7 N -0.63 0.35 -0.34 0.39 3.64 -1.44 -1.58 116.57 116.97 1u5i h LYS 7 Ca -0.11 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.05 1u5i h LYS 7 Cb 1.40 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1u5i h LYS 7 CO 0.07 0.36 -0.45 -0.07 -2.27 0.00 0.00 179.45 177.09 1u5i h LEU 8 N 0.35 0.96 -0.04 5.20 4.07 -1.53 1.13 115.31 125.45 1u5i h LEU 8 Ca 0.08 -0.46 -0.26 0.00 0.08 0.00 0.00 57.88 57.32 1u5i h LEU 8 Cb 0.19 -0.27 0.01 0.00 1.08 0.00 0.00 40.66 41.67 1u5i h LEU 8 CO 0.00 1.25 -1.08 0.00 -1.08 0.00 0.00 178.44 177.54 1u5i h ALA 9 N 0.78 0.21 0.00 1.53 0.00 -1.38 -0.56 119.26 119.84 1u5i h ALA 9 Ca 0.04 -0.75 -0.16 0.00 0.00 0.00 0.00 54.91 54.04 1u5i h ALA 9 Cb 1.04 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.87 1u5i h ALA 9 CO 0.10 0.80 -0.63 1.15 0.00 0.00 0.00 179.25 180.67 1u5i h THR 10 N 0.23 1.42 -0.12 0.00 2.02 -0.66 0.39 112.91 116.20 1u5i h THR 10 Ca -0.12 -2.10 0.02 0.00 0.77 0.00 0.00 66.41 64.97 1u5i h THR 10 Cb 1.74 2.61 -0.02 0.00 -1.74 0.00 0.00 68.15 70.74 1u5i h THR 10 CO 0.19 0.61 0.01 0.44 0.37 0.00 0.00 175.52 177.15 1u5i h ASP 11 N -0.09 -0.01 -0.98 4.18 3.45 0.15 0.17 116.42 123.28 1u5i h ASP 11 Ca -0.08 0.02 0.09 0.00 0.43 0.00 0.00 57.03 57.49 1u5i h ASP 11 Cb 1.34 0.03 -0.07 0.00 -0.56 0.00 0.00 39.33 40.07 1u5i h ASP 11 CO 0.12 0.01 0.62 0.03 -1.57 0.00 0.00 179.24 178.46 1u5i h ARG 12 N 0.06 1.03 -0.69 3.56 3.08 -0.55 -1.57 114.38 119.29 1u5i h ARG 12 Ca 0.05 -0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.11 1u5i h ARG 12 Cb 0.05 -0.23 -0.06 0.00 0.08 0.00 0.00 29.97 29.81 1u5i h ARG 12 CO -0.08 0.68 0.39 0.93 -1.07 0.00 0.00 179.97 180.82 1u5i h GLU 13 N 1.06 0.68 -0.46 0.04 4.39 0.14 -2.47 114.58 117.97 1u5i h GLU 13 Ca 0.45 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 60.01 1u5i h GLU 13 Cb 0.32 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1u5i h GLU 13 CO -0.22 0.45 -0.12 0.00 -1.16 0.00 0.00 179.01 177.97 1u5i h ALA 14 N 1.36 0.94 0.00 3.43 0.00 -0.33 0.28 119.26 124.94 1u5i h ALA 14 Ca 0.31 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1u5i h ALA 14 Cb 0.21 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1u5i h ALA 14 CO -0.19 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.68 1u5i h ALA 15 N 1.11 1.00 -0.53 0.00 0.00 -1.12 0.91 119.26 120.64 1u5i h ALA 15 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1u5i h ALA 15 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1u5i h ALA 15 CO 0.04 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.68 1u5i n GLU 16 N -2.73 2.30 0.00 0.00 1.02 0.77 -4.92 120.64 117.08 1u5i n GLU 16 Ca 0.00 -1.92 0.00 0.00 -0.02 0.00 0.00 57.16 55.22 1u5i n GLU 16 Cb 0.22 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 1u5i n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u5i n GLY 17 N 1.30 0.45 3.66 0.62 0.00 0.31 -5.06 105.19 106.47 1u5i n GLY 17 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1u5i n GLY 17 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1u5i s LEU 18 N 0.00 4.23 0.00 0.99 1.98 0.10 -2.22 118.68 123.76 1u5i s LEU 18 Ca 0.00 1.89 0.00 0.00 -2.89 0.00 0.00 54.13 53.13 1u5i s LEU 18 Cb 0.00 -3.54 0.00 0.00 0.66 0.00 0.00 46.19 43.31 1u5i s LEU 18 CO 0.00 -0.82 0.00 0.61 -1.89 0.00 0.00 176.35 174.25 1u5i n GLY 19 N 3.80 0.23 3.82 7.98 0.00 0.38 -3.96 105.19 117.44 1u5i n GLY 19 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1u5i n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u5i s SER 20 N -2.33 5.90 0.32 1.61 1.04 -0.94 0.12 113.70 119.42 1u5i s SER 20 Ca 0.00 1.72 0.06 0.00 0.48 0.00 0.00 55.95 58.21 1u5i s SER 20 Cb 0.00 -2.52 0.74 0.00 0.10 0.00 0.00 66.02 64.34 1u5i s SER 20 CO 0.00 -1.09 1.83 -0.74 0.98 0.00 0.00 173.24 174.22 1u5i h HIS 21 N 0.30 0.98 0.00 5.02 2.76 -1.91 0.11 115.15 122.40 1u5i h HIS 21 Ca -0.46 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 57.70 1u5i h HIS 21 Cb 1.21 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 29.86 1u5i h HIS 21 CO 0.60 0.31 -0.19 0.93 -1.30 0.00 0.00 177.93 178.28 1u5i h GLU 22 N 0.79 0.00 -2.04 5.26 3.07 -1.92 -3.33 114.58 116.40 1u5i h GLU 22 Ca 0.51 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.80 1u5i h GLU 22 Cb 0.75 0.00 -0.39 0.00 -0.84 0.00 0.00 28.75 28.27 1u5i h GLU 22 CO -0.28 0.19 -1.03 -2.13 -1.40 0.00 0.00 179.01 174.36 1u5i n ARG 23 N -3.37 0.95 -1.46 2.33 0.63 0.36 -5.10 116.66 110.99 1u5i n ARG 23 Ca 0.00 -3.42 -0.32 0.00 -0.92 0.00 0.00 57.85 53.19 1u5i n ARG 23 Cb 0.40 -1.37 0.07 0.00 0.45 0.00 0.00 32.46 32.02 1u5i n ARG 23 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1u5i s ALA 24 N -1.32 2.33 0.07 5.13 0.00 -1.10 -0.47 121.76 126.40 1u5i s ALA 24 Ca 0.36 0.40 -0.31 0.00 0.00 0.00 0.00 51.96 52.41 1u5i s ALA 24 Cb 0.16 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.93 1u5i s ALA 24 CO -0.10 -1.58 1.23 0.42 0.00 0.00 0.00 175.76 175.73 1u5i s ILE 25 N -2.65 3.92 -0.47 0.00 1.01 -0.37 -4.64 121.20 118.00 1u5i s ILE 25 Ca 0.64 1.38 -0.28 0.00 0.00 0.00 0.00 60.65 62.38 1u5i s ILE 25 Cb -0.19 -3.88 0.01 0.00 0.01 0.00 0.00 42.46 38.41 1u5i s ILE 25 CO 0.50 0.10 1.44 -0.54 0.00 0.00 0.00 174.94 176.45 1u5i s LYS 26 N 1.10 3.43 0.17 2.79 3.01 -1.26 0.63 119.74 129.62 1u5i s LYS 26 Ca 0.60 0.77 -0.31 0.00 -1.01 0.00 0.00 55.97 56.02 1u5i s LYS 26 Cb -0.30 -4.08 -0.09 0.00 -1.01 0.00 0.00 37.83 32.34 1u5i s LYS 26 CO 0.29 -1.76 1.46 -0.47 0.51 0.00 0.00 175.35 175.38 1u5i s TYR 27 N 5.85 3.13 -2.09 3.18 6.14 0.11 -0.66 117.35 133.03 1u5i s TYR 27 Ca 0.59 0.88 0.00 0.00 0.64 0.00 0.00 57.07 59.18 1u5i s TYR 27 Cb -0.13 -3.79 0.00 0.00 0.42 0.00 0.00 41.96 38.46 1u5i s TYR 27 CO 0.30 -2.76 0.00 1.28 0.64 0.00 0.00 175.55 175.00 1u5i n LEU 28 N 3.44 -1.52 -2.19 6.97 4.32 -1.26 -2.06 117.00 124.70 1u5i n LEU 28 Ca 0.11 0.44 -0.20 0.00 -0.02 0.00 0.00 56.01 56.33 1u5i n LEU 28 Cb 0.40 -2.80 -0.03 0.00 -1.62 0.00 0.00 43.42 39.38 1u5i n LEU 28 CO 0.60 -0.95 -0.24 0.59 -1.22 0.00 0.00 177.39 176.17 1u5i n ASN 29 N -1.39 -5.67 -4.79 -1.43 4.13 0.17 -4.98 115.26 101.31 1u5i n ASN 29 Ca -0.21 0.13 -0.36 0.00 1.68 0.00 0.00 54.58 55.82 1u5i n ASN 29 Cb 0.67 -4.79 -0.07 0.00 -1.54 0.00 0.00 39.78 34.04 1u5i n ASN 29 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1u5i s GLN 30 N -4.70 3.49 -0.04 3.52 -0.21 -0.87 -5.05 119.66 115.79 1u5i s GLN 30 Ca 0.00 -0.23 0.07 0.00 0.02 0.00 0.00 55.36 55.22 1u5i s GLN 30 Cb 0.00 -3.13 -0.01 0.00 1.00 0.00 0.00 33.01 30.86 1u5i s GLN 30 CO 0.00 0.65 -0.25 0.34 -2.12 0.00 0.00 175.29 173.91 1u5i s ASP 31 N -0.67 3.00 -0.04 5.90 2.15 -1.26 -4.39 116.67 121.36 1u5i s ASP 31 Ca 0.12 -0.48 -0.21 0.00 0.43 0.00 0.00 52.55 52.41 1u5i s ASP 31 Cb -0.12 -0.61 -0.15 0.00 -0.30 0.00 0.00 42.92 41.75 1u5i s ASP 31 CO 0.02 0.27 0.91 0.22 -0.17 0.00 0.00 175.17 176.42 1u5i h TYR 32 N 5.82 -0.29 -0.44 -5.34 5.03 -1.97 -0.48 116.97 119.30 1u5i h TYR 32 Ca -0.37 -0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.01 1u5i h TYR 32 Cb 1.15 0.10 -0.07 0.00 1.55 0.00 0.00 36.73 39.46 1u5i h TYR 32 CO 0.41 0.08 0.05 0.93 -1.32 0.00 0.00 178.16 178.31 1u5i h GLU 33 N -0.89 0.16 0.26 1.82 4.39 -1.99 -0.77 114.58 117.57 1u5i h GLU 33 Ca -0.03 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1u5i h GLU 33 Cb 0.51 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1u5i h GLU 33 CO 0.05 0.11 -0.26 1.15 -1.16 0.00 0.00 179.01 178.90 1u5i h THR 34 N 0.17 0.45 -0.35 1.13 2.02 -1.94 0.43 112.91 114.82 1u5i h THR 34 Ca 0.22 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.34 1u5i h THR 34 Cb 0.30 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1u5i h THR 34 CO -0.32 0.00 0.01 -0.07 0.37 0.00 0.00 175.52 175.51 1u5i h LEU 35 N -0.55 0.60 -0.37 2.58 3.38 -0.90 0.19 115.31 120.24 1u5i h LEU 35 Ca -0.01 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.71 1u5i h LEU 35 Cb 0.51 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 1u5i h LEU 35 CO -0.06 0.75 -0.50 -0.09 0.09 0.00 0.00 178.44 178.63 1u5i h ARG 36 N 0.43 -0.34 -0.64 1.13 2.43 -0.94 0.17 114.38 116.61 1u5i h ARG 36 Ca 0.10 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.38 1u5i h ARG 36 Cb 0.44 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 30.00 1u5i h ARG 36 CO 0.02 -0.23 0.29 -0.91 -1.51 0.00 0.00 179.97 177.63 1u5i h ASN 37 N -0.35 0.34 -0.28 -3.80 -0.26 0.12 -0.44 115.58 110.91 1u5i h ASN 37 Ca 0.07 0.07 0.07 0.00 -0.56 0.00 0.00 56.30 55.94 1u5i h ASN 37 Cb 0.53 0.01 -0.08 0.00 -1.06 0.00 0.00 38.32 37.73 1u5i h ASN 37 CO -0.54 0.20 -0.27 -0.33 -1.06 0.00 0.00 177.43 175.44 1u5i h GLU 38 N 0.50 -0.25 -0.65 0.81 5.08 -0.62 0.30 114.58 119.75 1u5i h GLU 38 Ca 0.32 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.76 1u5i h GLU 38 Cb 0.35 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 1u5i h GLU 38 CO -0.27 -0.17 0.34 0.00 -1.00 0.00 0.00 179.01 177.91 1u5i h LEU 40 N 0.62 0.25 -1.35 0.00 3.38 0.22 -1.39 115.31 117.04 1u5i h LEU 40 Ca 0.30 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.31 1u5i h LEU 40 Cb 0.24 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1u5i h LEU 40 CO -0.21 0.17 0.17 -0.33 0.09 0.00 0.00 178.44 178.33 1u5i h GLU 41 N 0.42 0.62 -0.03 1.13 5.08 -0.18 -1.39 114.58 120.23 1u5i h GLU 41 Ca 0.26 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1u5i h GLU 41 Cb 0.27 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1u5i h GLU 41 CO -0.24 0.51 0.00 0.00 -1.00 0.00 0.00 179.01 178.28 1u5i n ALA 42 N -2.47 2.59 -3.38 3.43 0.00 -1.05 -4.97 120.51 114.67 1u5i n ALA 42 Ca 0.03 -0.39 -0.23 0.00 0.00 0.00 0.00 53.44 52.85 1u5i n ALA 42 Cb 0.15 -1.23 -0.01 0.00 0.00 0.00 0.00 19.45 18.36 1u5i n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u5i n GLY 43 N 1.12 -0.48 3.59 0.00 0.00 -0.52 -4.97 105.19 103.92 1u5i n GLY 43 Ca 0.19 0.09 -0.28 0.00 0.00 0.00 0.00 46.02 46.02 1u5i n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u5i s ALA 44 N -2.92 3.01 0.31 4.61 0.00 -0.92 -5.05 121.76 120.79 1u5i s ALA 44 Ca 0.40 -1.36 -0.16 0.00 0.00 0.00 0.00 51.96 50.84 1u5i s ALA 44 Cb -0.22 -0.86 -0.09 0.00 0.00 0.00 0.00 23.12 21.96 1u5i s ALA 44 CO 0.50 0.54 0.75 -0.51 0.00 0.00 0.00 175.76 177.04 1u5i s LEU 45 N -2.62 4.11 0.20 0.00 1.43 -1.26 -4.45 118.68 116.10 1u5i s LEU 45 Ca 0.24 1.34 -0.31 0.00 -1.03 0.00 0.00 54.13 54.38 1u5i s LEU 45 Cb -0.10 -4.01 -0.10 0.00 0.03 0.00 0.00 46.19 42.01 1u5i s LEU 45 CO 0.15 -0.17 1.48 0.12 0.23 0.00 0.00 176.35 178.16 1u5i s PHE 46 N -1.90 3.07 -0.44 0.29 5.99 0.15 -4.97 117.98 120.16 1u5i s PHE 46 Ca 0.52 0.88 0.04 0.00 0.00 0.00 0.00 56.93 58.37 1u5i s PHE 46 Cb -0.12 -3.84 0.12 0.00 0.00 0.00 0.00 43.02 39.19 1u5i s PHE 46 CO 0.18 -2.88 0.17 -0.65 -0.00 0.00 0.00 175.22 172.04 1u5i s GLN 47 N 0.36 1.75 -0.27 10.12 -0.21 -1.26 -4.74 119.66 125.41 1u5i s GLN 47 Ca 0.64 -2.29 -0.34 0.00 0.02 0.00 0.00 55.36 53.38 1u5i s GLN 47 Cb -0.42 -3.25 -0.11 0.00 1.00 0.00 0.00 33.01 30.24 1u5i s GLN 47 CO 0.37 -1.04 2.11 -3.47 -2.12 0.00 0.00 175.29 171.14 1u5i n ASP 48 N 3.60 2.63 0.25 5.90 4.64 -1.26 -4.91 116.55 127.41 1u5i n ASP 48 Ca 0.05 0.53 0.11 0.00 -1.38 0.00 0.00 54.79 54.09 1u5i n ASP 48 Cb 0.36 -1.33 0.68 0.00 -1.04 0.00 0.00 41.12 39.79 1u5i n ASP 48 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1u5i h PRO 49 N 11.91 0.00 -0.58 -0.67 0.11 -2.00 -2.70 132.00 138.08 1u5i h PRO 49 Ca -0.35 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.70 1u5i h PRO 49 Cb 1.30 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 1u5i h PRO 49 CO 0.99 0.14 0.07 -1.13 -0.21 0.00 0.00 178.00 177.86 1u5i n SER 50 N -3.80 5.27 0.00 -2.05 3.41 -1.26 -4.31 113.62 110.88 1u5i n SER 50 Ca -0.02 -3.04 0.00 0.00 -0.26 0.00 0.00 58.87 55.55 1u5i n SER 50 Cb 0.24 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 1u5i n SER 50 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1u5i n PHE 51 N 0.26 0.00 -1.46 7.33 7.35 -1.14 -5.12 117.46 124.69 1u5i n PHE 51 Ca 0.31 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.71 1u5i n PHE 51 Cb 1.22 0.00 0.13 0.00 0.35 0.00 0.00 39.48 41.18 1u5i n PHE 51 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1u5i s PRO 52 N 0.00 1.29 -1.08 -7.13 0.04 -1.03 -4.75 135.00 122.34 1u5i s PRO 52 Ca 0.00 0.46 -0.15 0.00 0.04 0.00 0.00 61.00 61.35 1u5i s PRO 52 Cb 0.00 -1.84 -0.07 0.00 0.04 0.00 0.00 34.50 32.62 1u5i s PRO 52 CO 0.00 -2.13 2.17 0.00 0.04 0.00 0.00 177.00 177.08 1u5i n ALA 53 N -3.75 4.72 -2.38 8.56 0.00 -1.26 -4.38 120.51 122.03 1u5i n ALA 53 Ca 0.06 -3.19 -0.14 0.00 0.00 0.00 0.00 53.44 50.18 1u5i n ALA 53 Cb 0.58 -3.44 -0.09 0.00 0.00 0.00 0.00 19.45 16.51 1u5i n ALA 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1u5i s LEU 54 N 1.07 1.20 0.26 0.00 1.43 -1.26 -4.95 118.68 116.43 1u5i s LEU 54 Ca 0.52 -1.44 -0.01 0.00 -1.03 0.00 0.00 54.13 52.17 1u5i s LEU 54 Cb 0.14 0.66 0.56 0.00 0.03 0.00 0.00 46.19 47.58 1u5i s LEU 54 CO 0.01 -0.96 1.72 -0.65 0.23 0.00 0.00 176.35 176.69 1u5i h PRO 55 N 2.42 0.42 -0.61 1.29 0.11 -1.96 -2.61 132.00 131.07 1u5i h PRO 55 Ca -0.32 -0.03 0.13 0.00 0.11 0.00 0.00 66.00 65.90 1u5i h PRO 55 Cb 1.24 -0.10 -0.12 0.00 0.11 0.00 0.00 31.00 32.14 1u5i h PRO 55 CO 0.46 0.28 -0.11 0.43 -0.21 0.00 0.00 178.00 178.85 1u5i n SER 56 N -5.01 -0.18 -0.33 -2.05 7.64 -1.26 0.36 113.62 112.78 1u5i n SER 56 Ca 0.17 1.05 0.13 0.00 1.01 0.00 0.00 58.87 61.24 1u5i n SER 56 Cb 0.51 -0.33 0.60 0.00 -1.01 0.00 0.00 64.21 63.97 1u5i n SER 56 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1u5i n SER 57 N -4.95 1.02 -0.09 6.43 7.64 -0.98 -3.95 113.62 118.74 1u5i n SER 57 Ca 0.11 -1.42 -0.11 0.00 1.01 0.00 0.00 58.87 58.46 1u5i n SER 57 Cb 0.35 -0.02 -0.04 0.00 -1.01 0.00 0.00 64.21 63.49 1u5i n SER 57 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1u5i n LEU 58 N -0.17 1.91 -3.86 -3.43 4.77 0.16 -1.60 117.00 114.77 1u5i n LEU 58 Ca 0.19 0.41 -0.03 0.00 -0.03 0.00 0.00 56.01 56.55 1u5i n LEU 58 Cb 0.26 -0.79 0.01 0.00 -2.33 0.00 0.00 43.42 40.58 1u5i n LEU 58 CO 0.16 -0.19 0.82 -0.83 -1.33 0.00 0.00 177.39 176.02 1u5i s GLY 59 N -4.83 0.04 0.00 -0.72 0.00 0.27 -0.57 107.32 101.52 1u5i s GLY 59 Ca -0.27 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.22 1u5i s GLY 59 CO 0.40 2.19 0.00 1.97 0.00 0.00 0.00 173.10 177.66 1u5i n PHE 60 N -0.67 0.00 0.00 1.90 1.16 -1.25 -4.20 117.46 114.39 1u5i n PHE 60 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.55 1u5i n PHE 60 Cb 0.60 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.47 1u5i n PHE 60 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 1u5i n LYS 61 N -0.45 0.00 0.01 3.97 0.00 -1.26 -4.52 118.16 115.91 1u5i n LYS 61 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.21 1u5i n LYS 61 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.99 1u5i n LYS 61 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1u5i h GLU 62 N 0.00 -0.08 -1.05 1.64 4.57 -1.96 -1.75 114.58 115.95 1u5i h GLU 62 Ca 0.00 0.01 -0.60 0.00 -1.18 0.00 0.00 59.36 57.58 1u5i h GLU 62 Cb 0.00 0.02 -0.28 0.00 -0.16 0.00 0.00 28.75 28.33 1u5i h GLU 62 CO 0.00 -0.05 0.77 1.28 -1.18 0.00 0.00 179.01 179.83 1u5i n LEU 63 N -5.19 7.32 -4.87 1.64 4.32 -1.26 -4.77 117.00 114.19 1u5i n LEU 63 Ca -0.05 -4.01 -0.30 0.00 -0.02 0.00 0.00 56.01 51.64 1u5i n LEU 63 Cb 0.12 -0.95 0.21 0.00 -1.62 0.00 0.00 43.42 41.18 1u5i n LEU 63 CO 0.27 1.34 0.84 -0.83 -1.22 0.00 0.00 177.39 177.79 1u5i s GLY 64 N -1.48 1.77 0.64 -0.72 0.00 -0.66 -0.57 107.32 106.31 1u5i s GLY 64 Ca 0.59 -1.24 -0.12 0.00 0.00 0.00 0.00 44.72 43.95 1u5i s GLY 64 CO 0.02 -0.40 1.05 2.56 0.00 0.00 0.00 173.10 176.32 1u5i s PRO 65 N -5.85 3.25 0.00 2.90 0.04 -1.26 -2.19 135.00 131.89 1u5i s PRO 65 Ca 0.75 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1u5i s PRO 65 Cb -0.04 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1u5i s PRO 65 CO 0.54 -0.85 0.00 0.66 0.04 0.00 0.00 177.00 177.39 1u5i n TYR 66 N -2.71 0.00 -2.93 0.56 4.01 -1.26 -4.96 117.16 109.87 1u5i n TYR 66 Ca 0.07 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.45 1u5i n TYR 66 Cb 0.54 -1.43 -0.06 0.00 -0.31 0.00 0.00 39.34 38.07 1u5i n TYR 66 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1u5i s SER 67 N -1.78 7.22 0.15 7.72 0.15 -0.93 -4.92 113.70 121.31 1u5i s SER 67 Ca 0.00 1.65 0.08 0.00 0.70 0.00 0.00 55.95 58.38 1u5i s SER 67 Cb 0.00 -2.51 -0.09 0.00 -1.71 0.00 0.00 66.02 61.71 1u5i s SER 67 CO 0.00 -0.01 1.35 0.77 1.20 0.00 0.00 173.24 176.55 1u5i h SER 68 N 3.33 0.00 -0.30 5.45 4.64 -1.90 -1.48 113.55 123.30 1u5i h SER 68 Ca -0.47 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 60.92 1u5i h SER 68 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 1u5i h SER 68 CO 0.65 0.91 0.21 0.11 -0.87 0.00 0.00 176.83 177.84 1u5i h LYS 69 N 0.00 0.07 -0.55 4.77 1.57 -1.91 0.30 116.57 120.81 1u5i h LYS 69 Ca -0.01 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1u5i h LYS 69 Cb 1.63 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.92 1u5i h LYS 69 CO 0.12 0.04 0.00 0.25 -0.57 0.00 0.00 179.45 179.29 1u5i n THR 70 N -4.46 2.33 -2.89 -0.16 -2.24 -0.62 -4.89 114.28 101.35 1u5i n THR 70 Ca 0.04 -1.39 -0.40 0.00 -2.27 0.00 0.00 64.05 60.02 1u5i n THR 70 Cb 0.33 -0.11 -0.05 0.00 -2.10 0.00 0.00 70.33 68.41 1u5i n THR 70 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1u5i s ARG 71 N -2.40 4.55 -1.46 -0.78 3.52 0.10 -4.02 118.95 118.46 1u5i s ARG 71 Ca 0.51 1.19 0.00 0.00 -0.13 0.00 0.00 55.73 57.30 1u5i s ARG 71 Cb 0.37 -3.39 0.00 0.00 -1.56 0.00 0.00 34.95 30.37 1u5i s ARG 71 CO 0.18 0.20 0.00 0.41 -0.81 0.00 0.00 175.30 175.28 1u5i n GLY 72 N 2.50 0.90 3.73 8.12 0.00 -1.26 -5.00 105.19 114.17 1u5i n GLY 72 Ca 0.00 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 1u5i n GLY 72 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1u5i n ILE 73 N -3.08 0.62 -3.92 -0.61 5.41 -1.26 -4.82 119.36 111.70 1u5i n ILE 73 Ca -0.16 -0.15 -0.35 0.00 1.00 0.00 0.00 62.75 63.09 1u5i n ILE 73 Cb 0.54 -1.90 -0.14 0.00 -0.71 0.00 0.00 39.64 37.43 1u5i n ILE 73 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1u5i s GLU 74 N 0.14 2.72 -0.05 0.38 2.02 -0.32 -4.93 118.70 118.65 1u5i s GLU 74 Ca 0.69 -1.07 -0.25 0.00 0.02 0.00 0.00 54.97 54.37 1u5i s GLU 74 Cb -0.52 -3.09 -0.03 0.00 0.10 0.00 0.00 34.13 30.58 1u5i s GLU 74 CO 0.43 -0.48 0.76 -1.58 0.02 0.00 0.00 175.26 174.41 1u5i s TRP 75 N 1.32 3.59 0.02 1.61 0.52 -1.26 -2.36 118.94 122.38 1u5i s TRP 75 Ca -0.01 1.35 0.01 0.00 0.02 0.00 0.00 56.10 57.47 1u5i s TRP 75 Cb -0.18 -2.88 -0.02 0.00 -1.15 0.00 0.00 33.47 29.25 1u5i s TRP 75 CO -0.03 0.06 -0.05 0.15 0.02 0.00 0.00 176.95 177.10 1u5i s LYS 76 N 0.87 0.40 0.50 4.98 1.02 -1.04 -4.89 119.74 121.58 1u5i s LYS 76 Ca 0.41 -0.52 -0.02 0.00 0.02 0.00 0.00 55.97 55.85 1u5i s LYS 76 Cb -0.18 -0.20 -0.00 0.00 -0.52 0.00 0.00 37.83 36.93 1u5i s LYS 76 CO 0.20 0.04 0.76 1.03 -0.92 0.00 0.00 175.35 176.46 1u5i s ARG 77 N -1.08 3.04 0.25 1.68 0.52 -1.26 -2.27 118.95 119.83 1u5i s ARG 77 Ca -0.08 -0.28 -0.03 0.00 -0.52 0.00 0.00 55.73 54.82 1u5i s ARG 77 Cb -0.07 -2.45 0.48 0.00 0.52 0.00 0.00 34.95 33.43 1u5i s ARG 77 CO -0.00 -0.42 1.73 -1.35 0.02 0.00 0.00 175.30 175.28 1u5i h PRO 78 N 0.19 0.43 -0.03 3.54 0.11 -1.98 0.48 132.00 134.74 1u5i h PRO 78 Ca -0.46 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.63 1u5i h PRO 78 Cb 1.25 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1u5i h PRO 78 CO 0.59 0.28 0.20 1.79 -0.21 0.00 0.00 178.00 180.66 1u5i h THR 79 N 0.44 0.05 -0.81 -1.15 1.35 -1.93 -1.42 112.91 109.45 1u5i h THR 79 Ca 0.43 0.00 -0.47 0.00 -0.55 0.00 0.00 66.41 65.82 1u5i h THR 79 Cb 0.67 0.80 -0.26 0.00 -1.73 0.00 0.00 68.15 67.63 1u5i h THR 79 CO -0.42 0.00 0.39 -0.62 -0.25 0.00 0.00 175.52 174.62 1u5i n GLU 80 N -3.06 2.36 -0.97 4.72 1.02 0.17 -3.88 120.64 120.99 1u5i n GLU 80 Ca -0.02 -3.23 -0.06 0.00 -0.02 0.00 0.00 57.16 53.84 1u5i n GLU 80 Cb 0.27 -2.12 -0.05 0.00 -0.02 0.00 0.00 31.44 29.52 1u5i n GLU 80 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1u5i n ILE 81 N -1.05 0.00 -3.64 -3.67 3.06 -0.54 -4.80 119.36 108.72 1u5i n ILE 81 Ca 0.52 -0.03 -0.05 0.00 -2.50 0.00 0.00 62.75 60.69 1u5i n ILE 81 Cb 1.20 0.43 -0.06 0.00 0.54 0.00 0.00 39.64 41.75 1u5i n ILE 81 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1u5i h ALA 83 N 3.08 0.37 -2.42 0.00 0.00 -1.90 -3.38 119.26 115.02 1u5i h ALA 83 Ca -0.22 -0.78 -0.59 0.00 0.00 0.00 0.00 54.91 53.31 1u5i h ALA 83 Cb 1.19 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 18.52 1u5i h ALA 83 CO 0.19 0.96 -0.84 -3.47 0.00 0.00 0.00 179.25 176.08 1u5i n ASP 84 N -3.60 1.29 -4.68 0.00 4.64 -1.26 -5.05 116.55 107.89 1u5i n ASP 84 Ca -0.05 -2.85 -0.45 0.00 -1.38 0.00 0.00 54.79 50.07 1u5i n ASP 84 Cb 0.88 -0.64 -0.04 0.00 -1.04 0.00 0.00 41.12 40.28 1u5i n ASP 84 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1u5i n PRO 85 N 1.91 2.44 -3.88 -0.67 -0.04 -1.26 -4.95 135.00 128.55 1u5i n PRO 85 Ca 0.25 0.88 -0.36 0.00 -0.04 0.00 0.00 63.50 64.24 1u5i n PRO 85 Cb 0.45 -2.72 -0.06 0.00 -0.04 0.00 0.00 33.50 31.13 1u5i n PRO 85 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1u5i s GLN 86 N 2.37 3.44 -0.04 0.54 1.11 -0.85 -4.53 119.66 121.71 1u5i s GLN 86 Ca 0.83 -0.17 -0.11 0.00 0.01 0.00 0.00 55.36 55.93 1u5i s GLN 86 Cb -0.60 -3.17 -0.06 0.00 -1.01 0.00 0.00 33.01 28.17 1u5i s GLN 86 CO 0.41 0.76 0.52 0.35 0.01 0.00 0.00 175.29 177.33 1u5i h PHE 87 N 4.72 -0.37 -3.33 0.91 3.57 -1.86 -0.32 116.94 120.26 1u5i h PHE 87 Ca -0.54 -0.01 -0.22 0.00 3.53 0.00 0.00 57.97 60.73 1u5i h PHE 87 Cb 1.22 0.12 -0.30 0.00 2.79 0.00 0.00 35.95 39.79 1u5i h PHE 87 CO 0.74 -0.23 -0.59 -1.50 -2.23 0.00 0.00 178.31 174.50 1u5i s ILE 88 N -2.86 -0.03 -0.16 1.41 2.07 -1.26 -0.98 121.20 119.39 1u5i s ILE 88 Ca -0.06 0.10 -0.25 0.00 -1.41 0.00 0.00 60.65 59.04 1u5i s ILE 88 Cb 0.01 -0.22 -0.02 0.00 0.13 0.00 0.00 42.46 42.36 1u5i s ILE 88 CO 0.17 0.04 0.79 -0.63 -1.91 0.00 0.00 174.94 173.41 1u5i s ILE 89 N 0.69 4.92 0.75 2.00 -1.09 -1.26 -5.11 121.20 122.09 1u5i s ILE 89 Ca -0.05 1.56 -0.09 0.00 -2.23 0.00 0.00 60.65 59.84 1u5i s ILE 89 Cb -0.07 -4.10 0.07 0.00 -1.58 0.00 0.00 42.46 36.78 1u5i s ILE 89 CO -0.03 0.07 1.08 -0.83 -1.23 0.00 0.00 174.94 174.00 1u5i s GLY 90 N 1.12 1.66 0.00 6.18 0.00 -1.26 -4.04 107.32 110.97 1u5i s GLY 90 Ca 0.37 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 44.25 1u5i s GLY 90 CO 0.13 -0.40 0.00 0.61 0.00 0.00 0.00 173.10 173.44 1u5i n GLY 91 N -3.08 3.40 3.31 0.20 0.00 -1.26 -5.01 105.19 102.74 1u5i n GLY 91 Ca 0.08 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.51 1u5i n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u5i n ALA 92 N -1.60 0.23 0.06 4.61 0.00 -1.26 -4.76 120.51 117.80 1u5i n ALA 92 Ca 0.00 0.18 0.04 0.00 0.00 0.00 0.00 53.44 53.66 1u5i n ALA 92 Cb 0.00 -2.13 -0.06 0.00 0.00 0.00 0.00 19.45 17.26 1u5i n ALA 92 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1u5i n THR 93 N 6.43 0.00 -4.04 0.00 -1.04 -1.26 -4.85 114.28 109.52 1u5i n THR 93 Ca 0.52 -0.21 -0.02 0.00 -2.04 0.00 0.00 64.05 62.30 1u5i n THR 93 Cb -0.01 0.43 -0.01 0.00 -1.82 0.00 0.00 70.33 68.93 1u5i n THR 93 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1u5i n ARG 94 N -1.68 0.10 -4.18 -2.82 1.85 -1.26 -4.59 116.66 104.08 1u5i n ARG 94 Ca -0.01 -0.41 -0.19 0.00 -1.00 0.00 0.00 57.85 56.25 1u5i n ARG 94 Cb 0.19 0.33 -0.12 0.00 -1.05 0.00 0.00 32.46 31.81 1u5i n ARG 94 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 1u5i s THR 95 N -2.14 1.16 -0.19 8.89 -1.32 0.75 -5.01 115.64 117.79 1u5i s THR 95 Ca 0.05 -1.34 0.18 0.00 -1.21 0.00 0.00 61.69 59.37 1u5i s THR 95 Cb 0.00 -1.12 0.46 0.00 -1.51 0.00 0.00 72.50 70.33 1u5i s THR 95 CO 0.03 -0.22 1.16 -0.90 -2.21 0.00 0.00 174.62 172.48 1u5i n ASP 96 N 1.24 2.17 -4.77 8.08 3.85 -1.26 -4.27 116.55 121.59 1u5i n ASP 96 Ca -0.21 -2.73 -0.40 0.00 -0.71 0.00 0.00 54.79 50.74 1u5i n ASP 96 Cb 0.54 -0.41 -0.02 0.00 -1.35 0.00 0.00 41.12 39.88 1u5i n ASP 96 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 1u5i s ILE 97 N -2.83 2.91 0.32 2.12 -1.09 -1.26 0.28 121.20 121.65 1u5i s ILE 97 Ca 0.36 0.88 -0.01 0.00 -2.23 0.00 0.00 60.65 59.66 1u5i s ILE 97 Cb 0.37 -3.55 -0.01 0.00 -1.58 0.00 0.00 42.46 37.69 1u5i s ILE 97 CO -0.06 0.18 0.41 0.00 -1.23 0.00 0.00 174.94 174.24 1u5i s GLN 99 N -3.27 2.50 0.00 0.00 -1.52 -1.26 -1.90 119.66 114.21 1u5i s GLN 99 Ca 0.33 -1.05 0.00 0.00 -1.95 0.00 0.00 55.36 52.69 1u5i s GLN 99 Cb 0.01 -2.42 0.00 0.00 -0.22 0.00 0.00 33.01 30.38 1u5i s GLN 99 CO 0.21 0.47 0.00 0.41 -0.25 0.00 0.00 175.29 176.12 1u5i n GLY 100 N -0.10 1.14 0.20 3.09 0.00 -0.50 -4.83 105.19 104.20 1u5i n GLY 100 Ca -0.10 -1.97 0.07 0.00 0.00 0.00 0.00 46.02 44.02 1u5i n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u5i h ALA 101 N -0.66 1.07 -2.26 4.61 0.00 -1.74 -3.41 119.26 116.87 1u5i h ALA 101 Ca 0.00 -0.28 -0.48 0.00 0.00 0.00 0.00 54.91 54.14 1u5i h ALA 101 Cb 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1u5i h ALA 101 CO 0.00 0.39 -0.46 -0.51 0.00 0.00 0.00 179.25 178.67 1u5i s LEU 102 N -7.12 4.21 0.00 0.00 1.02 0.31 -5.06 118.68 112.05 1u5i s LEU 102 Ca -0.00 0.02 0.00 0.00 0.02 0.00 0.00 54.13 54.16 1u5i s LEU 102 Cb 0.11 -2.76 0.00 0.00 0.02 0.00 0.00 46.19 43.57 1u5i s LEU 102 CO 0.67 -0.04 0.00 0.61 0.02 0.00 0.00 176.35 177.60 1u5i n GLY 103 N -1.22 1.77 3.80 -3.19 0.00 -1.26 -4.01 105.19 101.08 1u5i n GLY 103 Ca -0.09 -1.13 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 1u5i n GLY 103 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u5i s ASP 104 N 0.00 5.00 0.00 1.61 2.15 -1.26 -4.65 116.67 119.52 1u5i s ASP 104 Ca 0.00 1.68 0.18 0.00 0.43 0.00 0.00 52.55 54.83 1u5i s ASP 104 Cb 0.00 -2.48 -0.06 0.00 -0.30 0.00 0.00 42.92 40.08 1u5i s ASP 104 CO 0.00 -1.70 0.86 -1.54 -0.17 0.00 0.00 175.17 172.62 1u5i n SER 105 N -3.30 1.46 0.28 -0.34 3.41 -1.26 -3.37 113.62 110.51 1u5i n SER 105 Ca 0.08 -1.23 0.18 0.00 -0.26 0.00 0.00 58.87 57.64 1u5i n SER 105 Cb 0.53 0.63 0.96 0.00 -0.26 0.00 0.00 64.21 66.08 1u5i n SER 105 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 1u5i h TRP 106 N 1.38 0.00 0.00 7.33 5.08 -1.91 -1.36 115.95 126.47 1u5i h TRP 106 Ca 0.00 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 59.86 1u5i h TRP 106 Cb 0.55 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.69 1u5i h TRP 106 CO 0.00 0.00 -0.50 -0.07 -1.28 0.00 0.00 178.44 176.59 1u5i h LEU 107 N 0.00 0.00 0.05 0.11 3.38 -1.95 -2.44 115.31 114.46 1u5i h LEU 107 Ca 0.03 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1u5i h LEU 107 Cb 0.35 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1u5i h LEU 107 CO -0.00 0.50 -0.38 -0.07 0.09 0.00 0.00 178.44 178.58 1u5i h LEU 108 N 0.00 -1.15 -0.99 1.67 -0.00 -1.47 0.30 115.31 113.68 1u5i h LEU 108 Ca -0.01 0.12 -0.04 0.00 -0.00 0.00 0.00 57.88 57.96 1u5i h LEU 108 Cb 1.00 0.43 -0.03 0.00 -0.00 0.00 0.00 40.66 42.06 1u5i h LEU 108 CO 0.07 -0.39 0.27 0.00 -0.00 0.00 0.00 178.44 178.39 1u5i h ALA 109 N -0.80 1.20 0.38 1.53 0.00 -1.64 0.17 119.26 120.09 1u5i h ALA 109 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1u5i h ALA 109 Cb 0.53 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1u5i h ALA 109 CO -0.22 0.58 -0.18 0.00 0.00 0.00 0.00 179.25 179.43 1u5i h ALA 110 N 1.32 -0.51 -0.76 0.00 0.00 -1.17 -1.13 119.26 117.00 1u5i h ALA 110 Ca 0.23 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1u5i h ALA 110 Cb 0.19 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1u5i h ALA 110 CO -0.02 -0.65 0.50 0.82 0.00 0.00 0.00 179.25 179.90 1u5i h ILE 111 N -0.77 0.95 -0.92 0.00 5.03 -0.21 -2.32 117.51 119.26 1u5i h ILE 111 Ca -0.05 -0.24 -0.01 0.00 -0.12 0.00 0.00 64.86 64.44 1u5i h ILE 111 Cb 0.52 0.20 -0.04 0.00 -3.03 0.00 0.00 36.82 34.46 1u5i h ILE 111 CO 0.09 0.13 0.52 0.00 -0.68 0.00 0.00 178.15 178.20 1u5i h ALA 112 N 1.61 1.19 -0.01 1.87 0.00 -0.49 -1.45 119.26 121.99 1u5i h ALA 112 Ca 0.35 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1u5i h ALA 112 Cb 0.45 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1u5i h ALA 112 CO -0.13 0.67 -0.20 0.77 0.00 0.00 0.00 179.25 180.36 1u5i h SER 113 N 1.28 0.01 0.06 0.00 0.02 -0.64 -2.74 113.55 111.54 1u5i h SER 113 Ca 0.33 -0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 61.00 1u5i h SER 113 Cb -0.00 -0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.56 1u5i h SER 113 CO -0.06 0.21 -1.12 -0.07 -1.14 0.00 0.00 176.83 174.65 1u5i h LEU 114 N 0.01 0.89 0.00 5.07 3.38 -1.16 -3.20 115.31 120.30 1u5i h LEU 114 Ca -0.00 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 57.21 1u5i h LEU 114 Cb 0.36 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1u5i h LEU 114 CO 0.03 1.56 0.00 0.35 0.09 0.00 0.00 178.44 180.46 1u5i n THR 115 N -3.83 0.58 -1.10 0.22 -2.24 -0.70 -2.68 114.28 104.54 1u5i n THR 115 Ca -0.12 0.14 0.09 0.00 -2.27 0.00 0.00 64.05 61.89 1u5i n THR 115 Cb 0.92 -1.03 0.12 0.00 -2.10 0.00 0.00 70.33 68.24 1u5i n THR 115 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1u5i n LEU 116 N -1.19 2.11 -3.70 3.22 4.77 -1.21 -4.85 117.00 116.16 1u5i n LEU 116 Ca 0.04 -2.84 -0.15 0.00 -0.03 0.00 0.00 56.01 53.03 1u5i n LEU 116 Cb 0.04 -0.37 -0.15 0.00 -2.33 0.00 0.00 43.42 40.62 1u5i n LEU 116 CO 0.05 0.66 -0.22 0.21 -1.33 0.00 0.00 177.39 176.75 1u5i s ASN 117 N -2.61 0.38 0.04 -1.43 3.84 -1.09 -5.04 114.94 109.02 1u5i s ASN 117 Ca 0.27 0.35 -0.25 0.00 0.21 0.00 0.00 52.86 53.44 1u5i s ASN 117 Cb 0.24 0.28 -0.17 0.00 -0.55 0.00 0.00 41.25 41.05 1u5i s ASN 117 CO 0.03 -0.21 1.49 -0.08 -2.79 0.00 0.00 177.10 175.54 1u5i h GLU 118 N 7.92 -0.19 -0.03 0.43 4.22 -1.90 -2.05 114.58 122.97 1u5i h GLU 118 Ca -0.25 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.19 1u5i h GLU 118 Cb 1.13 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1u5i h GLU 118 CO 0.25 0.03 -0.05 0.93 -2.18 0.00 0.00 179.01 177.99 1u5i h GLU 119 N -0.40 0.04 0.26 1.92 4.39 -1.94 0.16 114.58 119.01 1u5i h GLU 119 Ca -0.02 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1u5i h GLU 119 Cb 0.32 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1u5i h GLU 119 CO 0.03 0.10 -0.13 0.82 -1.16 0.00 0.00 179.01 178.68 1u5i h ILE 120 N 0.04 0.00 -0.96 3.13 2.04 -1.81 -2.99 117.51 116.97 1u5i h ILE 120 Ca 0.01 -0.29 0.25 0.00 1.00 0.00 0.00 64.86 65.83 1u5i h ILE 120 Cb 0.12 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.07 1u5i h ILE 120 CO 0.01 0.00 0.49 0.25 0.00 0.00 0.00 178.15 178.90 1u5i h LEU 121 N -0.65 0.47 -1.27 1.44 5.85 -1.02 1.50 115.31 121.63 1u5i h LEU 121 Ca -0.04 0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 1u5i h LEU 121 Cb 0.27 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1u5i h LEU 121 CO 0.06 -0.00 -0.36 0.00 -0.34 0.00 0.00 178.44 177.80 1u5i h ALA 122 N 1.75 1.40 0.00 1.25 0.00 -0.73 0.50 119.26 123.43 1u5i h ALA 122 Ca 0.63 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1u5i h ALA 122 Cb 1.25 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1u5i h ALA 122 CO -0.53 0.45 -0.07 0.00 0.00 0.00 0.00 179.25 179.10 1u5i h ARG 123 N 0.01 0.00 0.00 0.00 3.08 0.23 -1.99 114.38 115.71 1u5i h ARG 123 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1u5i h ARG 123 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1u5i h ARG 123 CO 0.05 0.07 -0.67 1.55 -1.07 0.00 0.00 179.97 179.90 1u5i n VAL 124 N -3.25 0.00 -3.65 2.04 3.14 -0.00 -4.72 118.33 111.88 1u5i n VAL 124 Ca -0.00 -0.27 -0.29 0.00 -2.96 0.00 0.00 64.34 60.81 1u5i n VAL 124 Cb 0.29 0.81 -0.13 0.00 -1.06 0.00 0.00 33.84 33.75 1u5i n VAL 124 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1u5i s VAL 125 N -2.02 1.03 -0.26 1.55 1.01 0.15 -2.27 120.40 119.60 1u5i s VAL 125 Ca 0.01 -2.20 -0.42 0.00 0.00 0.00 0.00 61.98 59.37 1u5i s VAL 125 Cb 0.06 -1.73 -0.19 0.00 0.00 0.00 0.00 36.38 34.52 1u5i s VAL 125 CO 0.35 -0.89 1.30 -2.65 0.00 0.00 0.00 175.10 173.21 1u5i n PRO 126 N 3.83 0.00 0.16 2.72 -0.02 -1.20 -4.38 135.00 136.11 1u5i n PRO 126 Ca 0.08 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.68 1u5i n PRO 126 Cb 0.36 -1.44 0.10 0.00 -0.02 0.00 0.00 33.50 32.50 1u5i n PRO 126 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1u5i h LEU 127 N 3.90 0.00 -6.99 2.45 -0.00 -1.94 -3.39 115.31 109.33 1u5i h LEU 127 Ca -0.45 -0.01 -0.61 0.00 -0.00 0.00 0.00 57.88 56.81 1u5i h LEU 127 Cb 1.34 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.97 1u5i h LEU 127 CO 0.79 0.00 2.28 0.47 -0.00 0.00 0.00 178.44 181.98 1u5i n ASP 128 N -2.86 3.64 -3.65 -0.43 8.00 -1.26 -4.78 116.55 115.21 1u5i n ASP 128 Ca 0.02 -2.79 -0.15 0.00 0.71 0.00 0.00 54.79 52.58 1u5i n ASP 128 Cb 0.53 -1.56 -0.08 0.00 -0.02 0.00 0.00 41.12 40.00 1u5i n ASP 128 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1u5i s GLN 129 N 4.57 0.78 0.14 -1.24 -0.21 -1.26 -5.11 119.66 117.33 1u5i s GLN 129 Ca 0.56 0.52 -0.24 0.00 0.02 0.00 0.00 55.36 56.21 1u5i s GLN 129 Cb 0.09 0.37 0.08 0.00 1.00 0.00 0.00 33.01 34.55 1u5i s GLN 129 CO 0.05 -0.16 1.08 -1.54 -2.12 0.00 0.00 175.29 172.60 1u5i s SER 130 N -0.33 -0.02 0.00 5.90 1.04 -1.26 -4.77 113.70 114.25 1u5i s SER 130 Ca -0.05 -0.53 0.19 0.00 0.48 0.00 0.00 55.95 56.03 1u5i s SER 130 Cb -0.03 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.50 1u5i s SER 130 CO 0.04 -0.83 0.94 0.49 0.98 0.00 0.00 173.24 174.86 1u5i n PHE 131 N -0.68 0.00 -0.11 5.02 3.72 -1.26 -4.32 117.46 119.83 1u5i n PHE 131 Ca -0.03 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.20 1u5i n PHE 131 Cb 0.60 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.04 1u5i n PHE 131 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1u5i n GLN 132 N -0.09 0.54 0.00 -1.08 3.00 -1.26 -4.73 117.38 113.75 1u5i n GLN 132 Ca 0.08 0.15 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 1u5i n GLN 132 Cb 0.39 -1.42 0.00 0.00 0.00 0.00 0.00 30.24 29.21 1u5i n GLN 132 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1u5i n GLU 133 N -3.35 0.00 -0.72 -1.09 -0.58 -1.26 -4.70 120.64 108.94 1u5i n GLU 133 Ca -0.41 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.29 1u5i n GLU 133 Cb 0.90 0.00 0.22 0.00 -0.57 0.00 0.00 31.44 31.99 1u5i n GLU 133 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1u5i n ASN 134 N 0.00 3.99 0.00 1.62 4.13 -1.26 -4.94 115.26 118.81 1u5i n ASN 134 Ca 0.00 -2.84 0.00 0.00 1.68 0.00 0.00 54.58 53.42 1u5i n ASN 134 Cb 0.00 -0.67 0.00 0.00 -1.54 0.00 0.00 39.78 37.57 1u5i n ASN 134 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1u5i n TYR 135 N -0.00 0.00 -2.05 3.10 4.19 -1.26 -4.88 117.16 116.25 1u5i n TYR 135 Ca 0.28 0.00 -0.02 0.00 3.31 0.00 0.00 57.90 61.48 1u5i n TYR 135 Cb 1.08 0.00 -0.02 0.00 0.49 0.00 0.00 39.34 40.89 1u5i n TYR 135 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1u5i n ALA 136 N 0.00 2.56 -2.03 2.98 0.00 -1.26 -4.96 120.51 117.80 1u5i n ALA 136 Ca 0.00 -0.62 -0.13 0.00 0.00 0.00 0.00 53.44 52.69 1u5i n ALA 136 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 19.45 19.17 1u5i n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u5i n GLY 137 N 0.05 0.21 3.27 0.00 0.00 -1.26 0.30 105.19 107.77 1u5i n GLY 137 Ca -0.08 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 1u5i n GLY 137 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1u5i s ILE 138 N -2.59 1.85 0.36 -0.61 2.07 -1.26 -2.14 121.20 118.89 1u5i s ILE 138 Ca 0.00 -1.00 0.04 0.00 -1.41 0.00 0.00 60.65 58.28 1u5i s ILE 138 Cb 0.00 -1.54 -0.03 0.00 0.13 0.00 0.00 42.46 41.02 1u5i s ILE 138 CO 0.00 0.52 0.17 -0.36 -1.91 0.00 0.00 174.94 173.36 1u5i s PHE 139 N -0.54 1.73 -0.05 3.50 0.40 0.16 -4.93 117.98 118.25 1u5i s PHE 139 Ca 0.09 -1.38 -0.12 0.00 -0.60 0.00 0.00 56.93 54.91 1u5i s PHE 139 Cb -0.09 -0.98 0.02 0.00 0.51 0.00 0.00 43.02 42.48 1u5i s PHE 139 CO -0.01 -0.48 0.29 -3.38 0.70 0.00 0.00 175.22 172.34 1u5i s HIS 140 N -3.37 -0.21 0.37 0.36 -3.43 -1.26 -0.36 115.29 107.38 1u5i s HIS 140 Ca 0.31 0.43 0.05 0.00 -0.80 0.00 0.00 55.06 55.05 1u5i s HIS 140 Cb 0.03 0.09 -0.03 0.00 -1.43 0.00 0.00 32.58 31.24 1u5i s HIS 140 CO 0.18 -0.29 0.20 -0.06 -2.00 0.00 0.00 174.74 172.77 1u5i s PHE 141 N -0.75 1.75 -0.19 0.38 0.40 -0.59 -4.59 117.98 114.39 1u5i s PHE 141 Ca -0.08 -1.47 -0.04 0.00 -0.60 0.00 0.00 56.93 54.74 1u5i s PHE 141 Cb -0.04 -0.93 0.09 0.00 0.51 0.00 0.00 43.02 42.65 1u5i s PHE 141 CO 0.02 -0.58 0.25 -0.65 0.70 0.00 0.00 175.22 174.96 1u5i s GLN 142 N -3.60 0.20 0.13 0.44 -0.21 -0.96 -2.04 119.66 113.61 1u5i s GLN 142 Ca 0.32 0.37 0.05 0.00 0.02 0.00 0.00 55.36 56.12 1u5i s GLN 142 Cb 0.03 -0.85 -0.04 0.00 1.00 0.00 0.00 33.01 33.15 1u5i s GLN 142 CO 0.21 -0.58 0.08 -0.06 -2.12 0.00 0.00 175.29 172.82 1u5i s PHE 143 N 2.38 3.10 -0.10 0.91 2.99 -0.98 -4.38 117.98 121.90 1u5i s PHE 143 Ca 0.07 -0.00 -0.15 0.00 0.00 0.00 0.00 56.93 56.85 1u5i s PHE 143 Cb -0.15 -1.54 -0.05 0.00 0.00 0.00 0.00 43.02 41.29 1u5i s PHE 143 CO -0.12 0.51 0.36 -0.46 -0.00 0.00 0.00 175.22 175.51 1u5i s TRP 144 N -1.56 3.57 -0.39 0.36 -0.00 -0.44 -1.65 118.94 118.82 1u5i s TRP 144 Ca 0.29 0.78 0.01 0.00 -0.00 0.00 0.00 56.10 57.19 1u5i s TRP 144 Cb -0.11 -2.34 0.12 0.00 -0.00 0.00 0.00 33.47 31.14 1u5i s TRP 144 CO 0.22 0.39 0.18 -0.65 -0.00 0.00 0.00 176.95 177.09 1u5i s GLN 145 N -0.11 1.09 -1.35 5.86 -1.52 0.40 -4.46 119.66 119.56 1u5i s GLN 145 Ca 0.21 -1.68 -0.10 0.00 -1.95 0.00 0.00 55.36 51.83 1u5i s GLN 145 Cb -0.15 -2.23 0.01 0.00 -0.22 0.00 0.00 33.01 30.42 1u5i s GLN 145 CO 0.08 -1.10 0.45 0.66 -0.25 0.00 0.00 175.29 175.13 1u5i n TYR 146 N 4.00 -1.57 0.00 0.91 4.02 -1.26 -1.62 117.16 121.64 1u5i n TYR 146 Ca 0.05 0.54 0.00 0.00 -0.01 0.00 0.00 57.90 58.48 1u5i n TYR 146 Cb 0.37 -3.31 0.00 0.00 -0.02 0.00 0.00 39.34 36.38 1u5i n TYR 146 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1u5i n GLY 147 N -2.08 1.74 3.11 2.72 0.00 -1.26 -4.86 105.19 104.57 1u5i n GLY 147 Ca -0.24 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 1u5i n GLY 147 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1u5i s GLU 148 N -0.41 0.67 -0.02 1.61 -1.05 -0.64 -4.95 118.70 113.92 1u5i s GLU 148 Ca 0.00 -1.21 -0.11 0.00 -0.15 0.00 0.00 54.97 53.50 1u5i s GLU 148 Cb 0.00 0.03 -0.05 0.00 -0.44 0.00 0.00 34.13 33.67 1u5i s GLU 148 CO 0.00 -0.07 0.31 -1.58 0.95 0.00 0.00 175.26 174.88 1u5i s TRP 149 N -3.57 3.65 -0.06 4.83 0.52 0.32 0.15 118.94 124.78 1u5i s TRP 149 Ca 0.07 0.77 -0.00 0.00 0.02 0.00 0.00 56.10 56.95 1u5i s TRP 149 Cb 0.05 -2.13 0.03 0.00 -1.15 0.00 0.00 33.47 30.27 1u5i s TRP 149 CO -0.07 0.65 -0.02 0.08 0.02 0.00 0.00 176.95 177.60 1u5i s VAL 150 N -1.15 0.47 -0.18 4.03 1.01 -0.66 -1.24 120.40 122.68 1u5i s VAL 150 Ca 0.24 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 62.13 1u5i s VAL 150 Cb -0.14 -0.58 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 1u5i s VAL 150 CO 0.12 0.25 0.13 -0.70 0.00 0.00 0.00 175.10 174.90 1u5i s GLU 151 N 1.57 4.04 0.07 2.72 2.12 0.21 -2.33 118.70 127.09 1u5i s GLU 151 Ca -0.01 -0.21 0.09 0.00 0.36 0.00 0.00 54.97 55.21 1u5i s GLU 151 Cb -0.13 -3.37 -0.03 0.00 0.26 0.00 0.00 34.13 30.86 1u5i s GLU 151 CO -0.04 0.39 -0.25 0.08 -0.54 0.00 0.00 175.26 174.91 1u5i s VAL 152 N 0.09 2.04 0.00 3.70 1.01 -0.87 -0.71 120.40 125.67 1u5i s VAL 152 Ca 0.09 -1.44 0.06 0.00 0.00 0.00 0.00 61.98 60.69 1u5i s VAL 152 Cb -0.11 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 1u5i s VAL 152 CO -0.01 0.24 -0.19 0.54 0.00 0.00 0.00 175.10 175.68 1u5i s VAL 153 N -0.89 1.49 0.03 2.92 0.11 -1.26 -1.54 120.40 121.26 1u5i s VAL 153 Ca 0.11 -0.91 0.01 0.00 -2.93 0.00 0.00 61.98 58.26 1u5i s VAL 153 Cb -0.10 -1.26 -0.02 0.00 -1.53 0.00 0.00 36.38 33.47 1u5i s VAL 153 CO 0.03 0.34 -0.05 0.68 -3.33 0.00 0.00 175.10 172.77 1u5i s VAL 154 N -0.55 0.31 0.43 2.04 -7.23 0.52 -4.99 120.40 110.93 1u5i s VAL 154 Ca 0.07 -0.84 -0.17 0.00 -1.81 0.00 0.00 61.98 59.23 1u5i s VAL 154 Cb -0.08 -0.40 -0.09 0.00 0.56 0.00 0.00 36.38 36.38 1u5i s VAL 154 CO 0.00 -0.35 0.89 1.51 -0.31 0.00 0.00 175.10 176.83 1u5i s ASP 155 N -1.27 6.75 0.00 4.85 3.84 -1.26 0.41 116.67 129.99 1u5i s ASP 155 Ca -0.10 1.48 0.07 0.00 -0.00 0.00 0.00 52.55 54.00 1u5i s ASP 155 Cb -0.08 -2.46 0.31 0.00 -1.38 0.00 0.00 42.92 39.31 1u5i s ASP 155 CO -0.00 -0.40 1.21 -0.90 -0.00 0.00 0.00 175.17 175.08 1u5i n ASP 156 N -0.95 0.00 -4.68 2.11 3.85 -0.91 -4.81 116.55 111.16 1u5i n ASP 156 Ca 0.05 0.46 -0.42 0.00 -0.71 0.00 0.00 54.79 54.17 1u5i n ASP 156 Cb 0.54 -0.47 -0.03 0.00 -1.35 0.00 0.00 41.12 39.81 1u5i n ASP 156 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1u5i s ARG 157 N -2.95 4.18 0.03 0.11 3.00 -1.26 -4.42 118.95 117.64 1u5i s ARG 157 Ca 0.04 2.39 0.04 0.00 0.00 0.00 0.00 55.73 58.20 1u5i s ARG 157 Cb 0.05 -3.77 -0.04 0.00 0.00 0.00 0.00 34.95 31.20 1u5i s ARG 157 CO 0.13 -0.81 -0.06 -0.51 0.00 0.00 0.00 175.30 174.05 1u5i s LEU 158 N 3.22 3.22 0.38 2.53 1.43 -0.96 -4.83 118.68 123.67 1u5i s LEU 158 Ca 0.77 -0.17 -0.26 0.00 -1.03 0.00 0.00 54.13 53.44 1u5i s LEU 158 Cb -0.40 -1.89 -0.09 0.00 0.03 0.00 0.00 46.19 43.85 1u5i s LEU 158 CO 0.34 0.25 1.19 -2.16 0.23 0.00 0.00 176.35 176.20 1u5i s PRO 159 N -1.65 4.16 -0.17 1.29 0.04 -1.26 -2.51 135.00 134.90 1u5i s PRO 159 Ca 0.19 1.91 -0.15 0.00 0.04 0.00 0.00 61.00 62.99 1u5i s PRO 159 Cb -0.11 -2.80 0.05 0.00 0.04 0.00 0.00 34.50 31.68 1u5i s PRO 159 CO 0.10 -0.25 0.44 0.95 0.04 0.00 0.00 177.00 178.28 1u5i s THR 160 N -1.34 -0.00 -0.12 1.26 -4.23 -0.99 -3.09 115.64 107.13 1u5i s THR 160 Ca 0.54 0.01 0.03 0.00 -1.18 0.00 0.00 61.69 61.10 1u5i s THR 160 Cb -0.33 -0.63 0.00 0.00 1.34 0.00 0.00 72.50 72.89 1u5i s THR 160 CO 0.42 0.01 -0.23 -0.75 -0.54 0.00 0.00 174.62 173.52 1u5i s LYS 161 N 0.43 3.04 -1.27 3.99 2.20 -0.71 -1.17 119.74 126.25 1u5i s LYS 161 Ca -0.02 -0.87 -0.05 0.00 -0.36 0.00 0.00 55.97 54.68 1u5i s LYS 161 Cb -0.04 -2.36 0.03 0.00 -1.51 0.00 0.00 37.83 33.95 1u5i s LYS 161 CO -0.02 0.10 0.32 -0.25 -0.36 0.00 0.00 175.35 175.15 1u5i n ASP 162 N 3.74 -4.33 0.00 1.43 8.00 -1.26 -1.15 116.55 122.99 1u5i n ASP 162 Ca -0.19 -0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.16 1u5i n ASP 162 Cb 0.52 -3.59 0.00 0.00 -0.02 0.00 0.00 41.12 38.03 1u5i n ASP 162 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u5i n GLY 163 N -1.10 0.58 3.65 0.44 0.00 -1.26 -5.01 105.19 102.49 1u5i n GLY 163 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1u5i n GLY 163 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u5i s GLU 164 N -0.42 4.21 0.20 1.61 2.02 -0.30 -5.06 118.70 120.96 1u5i s GLU 164 Ca 0.00 1.12 -0.32 0.00 0.02 0.00 0.00 54.97 55.80 1u5i s GLU 164 Cb 0.00 -3.65 -0.12 0.00 0.10 0.00 0.00 34.13 30.46 1u5i s GLU 164 CO 0.00 -0.59 1.73 -0.51 0.02 0.00 0.00 175.26 175.91 1u5i s LEU 165 N 3.04 4.37 0.00 1.80 2.01 -1.26 -1.73 118.68 126.91 1u5i s LEU 165 Ca 0.39 2.85 0.29 0.00 0.01 0.00 0.00 54.13 57.67 1u5i s LEU 165 Cb -0.15 -3.60 1.28 0.00 0.01 0.00 0.00 46.19 43.73 1u5i s LEU 165 CO 0.07 -0.97 1.88 0.18 1.01 0.00 0.00 176.35 178.52 1u5i n LEU 166 N 4.20 0.73 0.00 1.79 4.77 -1.18 -4.29 117.00 123.03 1u5i n LEU 166 Ca 0.16 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1u5i n LEU 166 Cb 0.36 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1u5i n LEU 166 CO 0.64 0.13 0.00 0.49 -1.33 0.00 0.00 177.39 177.32 1u5i n PHE 167 N -0.60 0.00 -2.32 -1.77 3.72 -1.26 -0.53 117.46 114.70 1u5i n PHE 167 Ca 0.18 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.16 1u5i n PHE 167 Cb 0.27 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.78 1u5i n PHE 167 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1u5i s VAL 168 N 1.31 3.72 -0.29 -4.37 0.11 -1.26 -1.40 120.40 118.20 1u5i s VAL 168 Ca 0.00 1.25 -0.19 0.00 -2.93 0.00 0.00 61.98 60.11 1u5i s VAL 168 Cb 0.00 -3.80 0.17 0.00 -1.53 0.00 0.00 36.38 31.22 1u5i s VAL 168 CO 0.00 0.11 1.18 -1.38 -3.33 0.00 0.00 175.10 171.68 1u5i s HIS 169 N 0.97 -0.27 0.50 1.54 -3.43 -0.80 -4.09 115.29 109.72 1u5i s HIS 169 Ca 0.60 0.57 -0.23 0.00 -0.80 0.00 0.00 55.06 55.21 1u5i s HIS 169 Cb -0.33 0.27 -0.06 0.00 -1.43 0.00 0.00 32.58 31.03 1u5i s HIS 169 CO 0.30 -0.13 1.34 -1.54 -2.00 0.00 0.00 174.74 172.71 1u5i s SER 170 N 0.80 5.59 0.13 7.38 1.04 -1.26 0.88 113.70 128.26 1u5i s SER 170 Ca -0.03 2.72 -0.14 0.00 0.48 0.00 0.00 55.95 58.97 1u5i s SER 170 Cb -0.04 -2.63 -0.01 0.00 0.10 0.00 0.00 66.02 63.44 1u5i s SER 170 CO -0.12 -1.35 1.59 0.00 0.98 0.00 0.00 173.24 174.35 1u5i h ALA 171 N 1.80 0.56 -0.96 5.32 0.00 -0.52 -3.18 119.26 122.30 1u5i h ALA 171 Ca -0.51 -0.24 0.28 0.00 0.00 0.00 0.00 54.91 54.44 1u5i h ALA 171 Cb 1.28 -0.16 -0.14 0.00 0.00 0.00 0.00 17.79 18.77 1u5i h ALA 171 CO 0.59 0.31 0.46 1.49 0.00 0.00 0.00 179.25 182.10 1u5i h GLU 172 N 0.56 0.32 0.00 0.00 4.57 -1.95 -3.45 114.58 114.63 1u5i h GLU 172 Ca 0.12 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1u5i h GLU 172 Cb 0.43 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1u5i h GLU 172 CO 0.01 0.21 0.00 0.41 -1.18 0.00 0.00 179.01 178.47 1u5i n GLY 173 N -1.32 0.77 0.27 1.92 0.00 -1.20 -4.96 105.19 100.66 1u5i n GLY 173 Ca 0.27 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.12 1u5i n GLY 173 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1u5i n SER 174 N 0.00 1.90 -4.67 1.61 2.88 -1.26 -4.89 113.62 109.20 1u5i n SER 174 Ca 0.00 0.09 -0.43 0.00 -1.33 0.00 0.00 58.87 57.20 1u5i n SER 174 Cb 0.00 -0.45 -0.02 0.00 -0.75 0.00 0.00 64.21 62.99 1u5i n SER 174 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1u5i s GLU 175 N -2.36 4.28 -0.01 -1.46 2.02 -1.26 -2.01 118.70 117.90 1u5i s GLU 175 Ca -0.26 1.51 0.20 0.00 0.02 0.00 0.00 54.97 56.43 1u5i s GLU 175 Cb 0.09 -3.66 -0.26 0.00 0.10 0.00 0.00 34.13 30.39 1u5i s GLU 175 CO 0.37 -0.60 0.62 1.19 0.02 0.00 0.00 175.26 176.87 1u5i n PHE 176 N 6.15 0.00 -0.32 1.61 3.01 -0.13 -4.50 117.46 123.27 1u5i n PHE 176 Ca 0.12 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.61 1u5i n PHE 176 Cb 0.46 -0.23 0.22 0.00 -0.01 0.00 0.00 39.48 39.92 1u5i n PHE 176 CO 0.00 0.00 0.00 0.11 1.01 0.00 0.00 176.76 177.88 1u5i h TRP 177 N 0.00 1.10 -0.28 1.38 5.08 -1.25 -1.75 115.95 120.22 1u5i h TRP 177 Ca 0.00 0.03 -0.03 0.00 1.08 0.00 0.00 58.89 59.97 1u5i h TRP 177 Cb 0.68 -0.36 -0.01 0.00 -3.00 0.00 0.00 29.16 26.47 1u5i h TRP 177 CO 0.00 0.59 0.07 0.66 -1.28 0.00 0.00 178.44 178.48 1u5i h SER 178 N 1.09 0.42 0.45 0.11 4.64 -1.82 0.16 113.55 118.60 1u5i h SER 178 Ca 0.39 -0.23 -0.04 0.00 -0.47 0.00 0.00 61.79 61.45 1u5i h SER 178 Cb 0.14 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1u5i h SER 178 CO -0.14 0.54 -0.19 0.00 -0.87 0.00 0.00 176.83 176.16 1u5i h ALA 179 N 0.90 1.28 0.06 5.18 0.00 -1.48 -3.10 119.26 122.10 1u5i h ALA 179 Ca 0.09 -0.17 -0.30 0.00 0.00 0.00 0.00 54.91 54.53 1u5i h ALA 179 Cb 0.28 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1u5i h ALA 179 CO 0.00 0.24 -1.61 -0.07 0.00 0.00 0.00 179.25 177.80 1u5i h LEU 180 N 0.00 0.20 -1.10 0.00 4.07 -0.65 -3.06 115.31 114.77 1u5i h LEU 180 Ca -0.00 -0.34 0.03 0.00 0.08 0.00 0.00 57.88 57.65 1u5i h LEU 180 Cb 0.47 -0.06 -0.05 0.00 1.08 0.00 0.00 40.66 42.09 1u5i h LEU 180 CO 0.02 1.29 0.61 0.25 -1.08 0.00 0.00 178.44 179.53 1u5i h LEU 181 N 0.03 1.01 -0.16 1.67 5.85 -0.76 -1.59 115.31 121.36 1u5i h LEU 181 Ca -0.26 -0.01 -0.22 0.00 0.84 0.00 0.00 57.88 58.23 1u5i h LEU 181 Cb 1.99 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.78 1u5i h LEU 181 CO 0.11 0.70 -0.97 -0.08 -0.34 0.00 0.00 178.44 177.87 1u5i h GLU 182 N 1.18 0.23 -0.74 1.25 4.81 -1.56 -1.38 114.58 118.36 1u5i h GLU 182 Ca 0.36 -0.29 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1u5i h GLU 182 Cb -0.01 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1u5i h GLU 182 CO -0.11 1.04 0.35 -0.22 -0.73 0.00 0.00 179.01 179.35 1u5i h LYS 183 N 0.12 1.06 0.07 1.92 3.64 -1.32 -0.19 116.57 121.88 1u5i h LYS 183 Ca -0.07 -0.15 -0.24 0.00 -1.27 0.00 0.00 60.65 58.92 1u5i h LYS 183 Cb 1.63 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 33.25 1u5i h LYS 183 CO 0.15 0.82 -1.11 0.00 -2.27 0.00 0.00 179.45 177.05 1u5i h ALA 184 N 1.33 0.24 -0.01 5.00 0.00 -0.45 -1.46 119.26 123.91 1u5i h ALA 184 Ca 0.26 -0.85 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 1u5i h ALA 184 Cb 0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1u5i h ALA 184 CO -0.03 1.02 -0.00 -0.92 0.00 0.00 0.00 179.25 179.31 1u5i h TYR 185 N 0.07 0.02 -0.70 0.00 -0.00 -1.22 0.16 116.97 115.31 1u5i h TYR 185 Ca -0.09 -0.01 0.14 0.00 -0.00 0.00 0.00 58.73 58.77 1u5i h TYR 185 Cb 1.82 -0.00 -0.13 0.00 -0.00 0.00 0.00 36.73 38.42 1u5i h TYR 185 CO 0.04 0.46 -0.22 0.00 -0.00 0.00 0.00 178.16 178.44 1u5i h ALA 186 N 0.56 0.36 -0.35 1.82 0.00 -1.02 -1.74 119.26 118.90 1u5i h ALA 186 Ca 0.00 0.26 0.05 0.00 0.00 0.00 0.00 54.91 55.22 1u5i h ALA 186 Cb 0.45 0.60 -0.08 0.00 0.00 0.00 0.00 17.79 18.76 1u5i h ALA 186 CO 0.00 -0.47 -0.50 -0.22 0.00 0.00 0.00 179.25 178.05 1u5i h LYS 187 N -0.04 -0.40 0.00 0.00 3.64 -0.83 0.22 116.57 119.17 1u5i h LYS 187 Ca 0.32 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1u5i h LYS 187 Cb 0.53 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1u5i h LYS 187 CO -0.73 -0.26 0.00 1.51 -2.27 0.00 0.00 179.45 177.69 1u5i n ILE 188 N -5.40 1.02 1.12 2.00 3.06 0.01 -1.90 119.36 119.26 1u5i n ILE 188 Ca -0.03 0.27 0.12 0.00 -2.50 0.00 0.00 62.75 60.61 1u5i n ILE 188 Cb 0.35 -1.08 0.17 0.00 0.54 0.00 0.00 39.64 39.62 1u5i n ILE 188 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1u5i n ASN 189 N -1.69 1.74 0.00 9.51 4.13 -0.43 -4.99 115.26 123.53 1u5i n ASN 189 Ca 0.03 -1.34 0.00 0.00 1.68 0.00 0.00 54.58 54.94 1u5i n ASN 189 Cb 0.17 0.29 0.00 0.00 -1.54 0.00 0.00 39.78 38.70 1u5i n ASN 189 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1u5i n GLY 190 N 1.37 2.24 3.59 7.41 0.00 0.63 -4.81 105.19 115.62 1u5i n GLY 190 Ca 0.11 -0.39 0.01 0.00 0.00 0.00 0.00 46.02 45.75 1u5i n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u5i h TYR 192 N 2.00 0.15 -0.04 0.00 -1.99 -1.18 -2.84 116.97 113.07 1u5i h TYR 192 Ca -0.24 0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.52 1u5i h TYR 192 Cb 1.18 -0.02 -0.00 0.00 2.00 0.00 0.00 36.73 39.89 1u5i h TYR 192 CO 0.30 0.05 0.15 1.49 -0.00 0.00 0.00 178.16 180.15 1u5i h GLU 193 N 0.22 0.00 0.00 4.88 4.81 -1.11 0.95 114.58 124.33 1u5i h GLU 193 Ca 0.16 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1u5i h GLU 193 Cb 0.15 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 1u5i h GLU 193 CO -0.18 0.00 -0.11 0.00 -0.73 0.00 0.00 179.01 177.98 1u5i h ALA 194 N 1.74 1.21 0.00 2.92 0.00 -1.75 -2.62 119.26 120.76 1u5i h ALA 194 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1u5i h ALA 194 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1u5i h ALA 194 CO -0.00 0.14 -0.18 1.28 0.00 0.00 0.00 179.25 180.50 1u5i n LEU 195 N -3.52 0.31 -0.06 0.00 4.32 0.33 -0.84 117.00 117.54 1u5i n LEU 195 Ca -0.01 0.37 -0.05 0.00 -0.02 0.00 0.00 56.01 56.30 1u5i n LEU 195 Cb 0.26 -0.38 -0.04 0.00 -1.62 0.00 0.00 43.42 41.64 1u5i n LEU 195 CO 0.29 -0.00 0.50 -1.28 -1.22 0.00 0.00 177.39 175.68 1u5i h SER 196 N 0.00 -0.68 -0.41 -1.43 0.87 -1.46 -2.36 113.55 108.08 1u5i h SER 196 Ca 0.00 0.09 -0.27 0.00 -1.23 0.00 0.00 61.79 60.38 1u5i h SER 196 Cb 0.56 0.28 -0.11 0.00 -0.44 0.00 0.00 62.40 62.69 1u5i h SER 196 CO 0.00 -0.14 0.27 0.61 -0.53 0.00 0.00 176.83 177.04 1u5i n GLY 197 N -1.13 3.71 3.70 5.77 0.00 -1.26 -4.79 105.19 111.18 1u5i n GLY 197 Ca -0.01 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 1u5i n GLY 197 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u5i s GLY 198 N 0.72 1.59 0.09 -0.02 0.00 -0.89 -4.70 107.32 104.12 1u5i s GLY 198 Ca 0.30 -0.71 0.06 0.00 0.00 0.00 0.00 44.72 44.37 1u5i s GLY 198 CO -0.03 0.01 -0.06 0.00 0.00 0.00 0.00 173.10 173.01 1u5i s ALA 199 N -3.15 3.07 -0.01 3.20 0.00 -1.26 -4.90 121.76 118.70 1u5i s ALA 199 Ca 0.68 -1.18 0.11 0.00 0.00 0.00 0.00 51.96 51.57 1u5i s ALA 199 Cb -0.13 -1.01 -0.09 0.00 0.00 0.00 0.00 23.12 21.89 1u5i s ALA 199 CO 0.56 0.66 1.34 1.79 0.00 0.00 0.00 175.76 180.10 1u5i h THR 200 N 3.17 1.30 -0.31 0.00 1.35 -1.96 -2.80 112.91 113.67 1u5i h THR 200 Ca -0.48 -2.85 -0.08 0.00 -0.55 0.00 0.00 66.41 62.45 1u5i h THR 200 Cb 1.17 2.64 -0.02 0.00 -1.73 0.00 0.00 68.15 70.21 1u5i h THR 200 CO 0.55 0.74 -0.13 0.71 -0.25 0.00 0.00 175.52 177.14 1u5i h THR 201 N 0.00 1.24 0.22 6.82 1.35 -1.97 -0.74 112.91 119.83 1u5i h THR 201 Ca -0.01 -1.06 -0.01 0.00 -0.55 0.00 0.00 66.41 64.77 1u5i h THR 201 Cb 1.60 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 1u5i h THR 201 CO 0.10 0.35 -0.10 -0.33 -0.25 0.00 0.00 175.52 175.28 1u5i h GLU 202 N 0.49 -0.28 0.00 4.72 5.08 -1.93 0.38 114.58 123.04 1u5i h GLU 202 Ca 0.09 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 1u5i h GLU 202 Cb 0.52 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1u5i h GLU 202 CO 0.03 0.06 -0.33 0.78 -1.00 0.00 0.00 179.01 178.55 1u5i h GLY 203 N -0.66 0.00 1.47 -3.84 0.00 -1.57 0.34 103.07 98.82 1u5i h GLY 203 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.06 1u5i h GLY 203 CO 0.05 0.00 -1.02 -2.75 0.00 0.00 0.00 176.54 172.82 1u5i h PHE 204 N 0.00 0.70 -0.88 5.60 -0.00 -1.11 -1.82 116.94 119.43 1u5i h PHE 204 Ca -0.00 -0.40 0.22 0.00 -0.00 0.00 0.00 57.97 57.79 1u5i h PHE 204 Cb 0.91 -0.07 -0.13 0.00 -0.00 0.00 0.00 35.95 36.66 1u5i h PHE 204 CO 0.00 1.23 0.36 1.49 -0.00 0.00 0.00 178.31 181.40 1u5i h GLU 205 N 0.24 0.36 -0.00 1.11 4.81 -0.10 -2.16 114.58 118.84 1u5i h GLU 205 Ca -0.10 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1u5i h GLU 205 Cb 1.67 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.97 1u5i h GLU 205 CO 0.18 0.24 -0.04 -0.25 -0.73 0.00 0.00 179.01 178.41 1u5i n ASP 206 N -5.07 0.27 -0.99 1.04 8.00 0.11 -0.78 116.55 119.13 1u5i n ASP 206 Ca 0.22 -0.66 0.11 0.00 0.71 0.00 0.00 54.79 55.17 1u5i n ASP 206 Cb 0.65 -0.10 0.15 0.00 -0.02 0.00 0.00 41.12 41.79 1u5i n ASP 206 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1u5i n PHE 207 N -0.97 0.25 0.00 1.24 3.72 -0.73 -1.33 117.46 119.64 1u5i n PHE 207 Ca 0.18 -0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1u5i n PHE 207 Cb 0.22 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 1u5i n PHE 207 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1u5i n THR 208 N 1.32 0.00 -0.39 4.37 -2.24 -0.62 -4.61 114.28 112.12 1u5i n THR 208 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1u5i n THR 208 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1u5i n THR 208 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u5i n GLY 209 N 0.44 0.77 1.68 3.38 0.00 0.04 -4.85 105.19 106.64 1u5i n GLY 209 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1u5i n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u5i n GLY 210 N -2.25 0.73 2.95 -0.02 0.00 -1.25 -4.63 105.19 100.72 1u5i n GLY 210 Ca 0.00 -1.99 -0.26 0.00 0.00 0.00 0.00 46.02 43.77 1u5i n GLY 210 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1u5i s ILE 211 N -1.19 1.03 -0.22 -0.61 2.07 -1.06 -4.83 121.20 116.40 1u5i s ILE 211 Ca 0.29 -0.35 -0.20 0.00 -1.41 0.00 0.00 60.65 58.98 1u5i s ILE 211 Cb -0.02 -1.01 -0.03 0.00 0.13 0.00 0.00 42.46 41.54 1u5i s ILE 211 CO 0.19 0.35 0.60 0.00 -1.91 0.00 0.00 174.94 174.17 1u5i s ALA 212 N 1.27 3.56 -0.05 1.50 0.00 -1.26 -2.91 121.76 123.88 1u5i s ALA 212 Ca -0.03 -0.36 0.05 0.00 0.00 0.00 0.00 51.96 51.61 1u5i s ALA 212 Cb -0.14 -2.95 -0.02 0.00 0.00 0.00 0.00 23.12 20.01 1u5i s ALA 212 CO -0.03 -0.61 -0.18 -2.00 0.00 0.00 0.00 175.76 172.94 1u5i s GLU 213 N 2.03 2.44 -0.06 0.00 2.12 0.36 -4.87 118.70 120.73 1u5i s GLU 213 Ca 0.26 -0.76 -0.24 0.00 0.36 0.00 0.00 54.97 54.60 1u5i s GLU 213 Cb -0.16 -2.30 0.05 0.00 0.26 0.00 0.00 34.13 31.99 1u5i s GLU 213 CO 0.10 0.58 0.53 1.67 -0.54 0.00 0.00 175.26 177.60 1u5i s TRP 214 N -0.64 -0.48 -0.22 5.30 1.48 -1.26 0.35 118.94 123.47 1u5i s TRP 214 Ca 0.10 0.87 -0.06 0.00 -1.06 0.00 0.00 56.10 55.95 1u5i s TRP 214 Cb -0.11 0.27 0.11 0.00 -1.16 0.00 0.00 33.47 32.58 1u5i s TRP 214 CO 0.00 -0.49 0.43 0.71 -4.06 0.00 0.00 176.95 173.55 1u5i s TYR 215 N -1.04 -0.87 -0.74 1.66 1.51 -0.45 -4.98 117.35 112.44 1u5i s TYR 215 Ca -0.10 1.44 -0.27 0.00 -1.01 0.00 0.00 57.07 57.13 1u5i s TYR 215 Cb -0.02 0.29 0.02 0.00 -0.11 0.00 0.00 41.96 42.13 1u5i s TYR 215 CO 0.07 -0.56 1.41 -1.21 -1.11 0.00 0.00 175.55 174.15 1u5i s GLU 216 N 2.63 3.11 0.27 -0.62 0.41 -1.26 -1.26 118.70 121.97 1u5i s GLU 216 Ca 0.02 -0.17 0.09 0.00 -0.41 0.00 0.00 54.97 54.50 1u5i s GLU 216 Cb -0.13 -4.33 0.83 0.00 -1.78 0.00 0.00 34.13 28.71 1u5i s GLU 216 CO -0.14 -2.28 1.25 1.28 -0.49 0.00 0.00 175.26 174.87 1u5i n LEU 217 N 10.03 0.08 -0.13 1.80 4.32 -0.89 -1.16 117.00 131.05 1u5i n LEU 217 Ca 0.09 1.33 0.09 0.00 -0.02 0.00 0.00 56.01 57.51 1u5i n LEU 217 Cb 0.50 -0.56 0.17 0.00 -1.62 0.00 0.00 43.42 41.90 1u5i n LEU 217 CO 0.70 -1.42 0.35 0.54 -1.22 0.00 0.00 177.39 176.35 1u5i n ARG 218 N -4.96 -0.03 -3.16 3.23 5.12 -1.26 -2.56 116.66 113.04 1u5i n ARG 218 Ca 0.24 0.54 -0.17 0.00 -1.93 0.00 0.00 57.85 56.53 1u5i n ARG 218 Cb 0.81 -0.92 -0.02 0.00 -1.16 0.00 0.00 32.46 31.16 1u5i n ARG 218 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1u5i n LYS 219 N -4.09 0.97 -1.55 5.56 2.85 -0.31 -5.10 118.16 116.50 1u5i n LYS 219 Ca 0.12 -3.29 -0.33 0.00 -1.05 0.00 0.00 58.31 53.76 1u5i n LYS 219 Cb 0.40 -1.67 0.07 0.00 -0.65 0.00 0.00 35.03 33.18 1u5i n LYS 219 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1u5i s PRO 220 N -2.26 2.43 0.66 -1.58 0.04 -1.06 -4.84 135.00 128.41 1u5i s PRO 220 Ca 0.39 1.51 -0.11 0.00 0.04 0.00 0.00 61.00 62.83 1u5i s PRO 220 Cb 0.35 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.98 1u5i s PRO 220 CO -0.08 -1.56 1.06 -1.25 0.04 0.00 0.00 177.00 175.22 1u5i s PRO 221 N -4.12 3.21 0.94 0.56 0.04 -1.26 -5.04 135.00 129.33 1u5i s PRO 221 Ca 0.69 0.64 -0.12 0.00 0.04 0.00 0.00 61.00 62.25 1u5i s PRO 221 Cb -0.23 -2.05 0.16 0.00 0.04 0.00 0.00 34.50 32.42 1u5i s PRO 221 CO 0.45 -0.82 1.10 -2.14 0.04 0.00 0.00 177.00 175.62 1u5i s PRO 222 N -5.24 0.87 0.00 0.56 0.02 -1.26 -2.75 135.00 127.20 1u5i s PRO 222 Ca 0.57 0.57 0.00 0.00 0.02 0.00 0.00 61.00 62.16 1u5i s PRO 222 Cb -0.11 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.62 1u5i s PRO 222 CO 0.53 -2.44 0.00 -1.71 -0.33 0.00 0.00 177.00 173.05 1u5i n ASN 223 N -3.98 -1.42 -0.18 2.53 2.85 -1.26 -4.91 115.26 108.89 1u5i n ASN 223 Ca 0.06 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.50 1u5i n ASN 223 Cb 0.57 -1.98 0.04 0.00 1.24 0.00 0.00 39.78 39.65 1u5i n ASN 223 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1u5i h LEU 224 N 0.00 -0.67 -0.64 1.20 6.46 -1.93 -0.77 115.31 118.96 1u5i h LEU 224 Ca 0.00 0.18 0.07 0.00 -0.12 0.00 0.00 57.88 58.01 1u5i h LEU 224 Cb 0.19 0.40 -0.06 0.00 -0.73 0.00 0.00 40.66 40.46 1u5i h LEU 224 CO 0.00 -0.22 0.32 0.15 -0.62 0.00 0.00 178.44 178.07 1u5i h PHE 225 N -0.06 0.59 -0.40 1.25 3.57 -1.91 1.29 116.94 121.27 1u5i h PHE 225 Ca 0.26 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 1u5i h PHE 225 Cb 0.45 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1u5i h PHE 225 CO -0.50 0.25 0.09 -0.22 -2.23 0.00 0.00 178.31 175.71 1u5i h LYS 226 N 0.59 0.58 -0.68 1.11 3.64 -1.82 0.21 116.57 120.21 1u5i h LYS 226 Ca 0.30 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.51 1u5i h LYS 226 Cb 0.25 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 1u5i h LYS 226 CO -0.22 0.54 0.14 0.82 -2.27 0.00 0.00 179.45 178.47 1u5i h ILE 227 N 0.57 1.26 -0.54 2.00 2.04 0.17 0.84 117.51 123.86 1u5i h ILE 227 Ca 0.13 -0.99 -0.02 0.00 1.00 0.00 0.00 64.86 64.98 1u5i h ILE 227 Cb 0.22 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1u5i h ILE 227 CO -0.00 0.38 0.27 0.40 0.00 0.00 0.00 178.15 179.19 1u5i h ILE 228 N 1.02 1.19 -0.42 -0.67 2.04 0.22 0.29 117.51 121.19 1u5i h ILE 228 Ca 0.21 -0.53 -0.13 0.00 1.00 0.00 0.00 64.86 65.41 1u5i h ILE 228 Cb 0.40 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1u5i h ILE 228 CO 0.01 0.22 -0.26 -0.61 0.00 0.00 0.00 178.15 177.50 1u5i h GLN 229 N 0.72 0.89 -0.20 2.37 4.15 -0.42 -1.83 115.11 120.79 1u5i h GLN 229 Ca 0.19 -0.39 -0.19 0.00 0.77 0.00 0.00 58.65 59.02 1u5i h GLN 229 Cb 0.10 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.77 1u5i h GLN 229 CO -0.03 1.04 -0.65 0.87 -1.93 0.00 0.00 178.83 178.14 1u5i h LYS 230 N 0.76 0.72 0.03 1.69 1.57 0.16 -3.09 116.57 118.41 1u5i h LYS 230 Ca 0.09 -0.51 0.03 0.00 -1.87 0.00 0.00 60.65 58.39 1u5i h LYS 230 Cb 0.82 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.16 1u5i h LYS 230 CO 0.07 1.13 -0.29 0.00 -0.57 0.00 0.00 179.45 179.79 1u5i h ALA 231 N 0.74 -0.43 -0.88 3.86 0.00 -0.32 -1.09 119.26 121.15 1u5i h ALA 231 Ca -0.01 -0.02 0.24 0.00 0.00 0.00 0.00 54.91 55.12 1u5i h ALA 231 Cb 1.24 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 19.50 1u5i h ALA 231 CO 0.13 -0.81 0.62 -0.07 0.00 0.00 0.00 179.25 179.12 1u5i h LEU 232 N -0.45 0.11 -0.13 0.00 3.38 -1.25 1.31 115.31 118.27 1u5i h LEU 232 Ca 0.06 0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.80 1u5i h LEU 232 Cb 0.53 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.28 1u5i h LEU 232 CO -0.23 0.04 -0.95 -0.33 0.09 0.00 0.00 178.44 177.06 1u5i h GLU 233 N 0.10 0.54 0.04 1.13 5.08 -1.44 -3.27 114.58 116.76 1u5i h GLU 233 Ca 0.43 -0.56 -0.24 0.00 -1.00 0.00 0.00 59.36 58.00 1u5i h GLU 233 Cb 1.54 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.92 1u5i h GLU 233 CO -0.05 1.18 -1.15 0.87 -1.00 0.00 0.00 179.01 178.86 1u5i h LYS 234 N 0.32 0.08 0.00 2.33 1.79 0.25 -3.43 116.57 117.91 1u5i h LYS 234 Ca -0.09 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.25 1u5i h LYS 234 Cb 1.58 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 32.28 1u5i h LYS 234 CO 0.17 1.01 0.00 0.41 -1.08 0.00 0.00 179.45 179.96 1u5i n GLY 235 N 1.43 1.70 3.82 3.86 0.00 0.30 -4.77 105.19 111.53 1u5i n GLY 235 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 1u5i n GLY 235 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u5i s SER 236 N -1.88 6.73 -0.00 1.61 0.01 -1.03 -4.75 113.70 114.39 1u5i s SER 236 Ca 0.00 0.87 -0.30 0.00 1.31 0.00 0.00 55.95 57.83 1u5i s SER 236 Cb 0.00 -2.23 -0.05 0.00 0.21 0.00 0.00 66.02 63.95 1u5i s SER 236 CO 0.00 0.28 1.31 -0.76 0.41 0.00 0.00 173.24 174.48 1u5i s LEU 237 N -0.79 4.32 0.26 2.44 1.43 -1.15 -4.63 118.68 120.56 1u5i s LEU 237 Ca 0.23 2.02 0.12 0.00 -1.03 0.00 0.00 54.13 55.46 1u5i s LEU 237 Cb -0.16 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.45 1u5i s LEU 237 CO 0.12 -0.64 -0.20 -0.76 0.23 0.00 0.00 176.35 175.10 1u5i s LEU 238 N 2.06 2.56 -0.25 1.79 1.02 -1.26 -2.33 118.68 122.28 1u5i s LEU 238 Ca 0.61 -1.00 -0.20 0.00 0.02 0.00 0.00 54.13 53.56 1u5i s LEU 238 Cb -0.29 -1.08 0.07 0.00 0.02 0.00 0.00 46.19 44.90 1u5i s LEU 238 CO 0.26 0.04 0.64 -0.83 0.02 0.00 0.00 176.35 176.48 1u5i s GLY 239 N -3.36 -0.52 0.22 -3.19 0.00 -1.05 -3.50 107.32 95.92 1u5i s GLY 239 Ca 0.28 1.97 0.00 0.00 0.00 0.00 0.00 44.72 46.97 1u5i s GLY 239 CO 0.14 1.81 0.14 0.00 0.00 0.00 0.00 173.10 175.18 1u5i n SER 241 N -0.43 0.00 -4.30 0.00 3.41 -1.01 -2.38 113.62 108.92 1u5i n SER 241 Ca 0.02 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.35 1u5i n SER 241 Cb 0.66 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.46 1u5i n SER 241 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1u5i s ILE 242 N -2.20 1.93 0.02 -1.33 1.01 -1.26 -1.41 121.20 117.95 1u5i s ILE 242 Ca 0.00 -1.24 -0.19 0.00 0.00 0.00 0.00 60.65 59.22 1u5i s ILE 242 Cb 0.00 -1.65 -0.06 0.00 0.01 0.00 0.00 42.46 40.76 1u5i s ILE 242 CO 0.00 0.35 0.55 -0.62 0.00 0.00 0.00 174.94 175.23 1u5i s ASP 243 N -1.06 6.97 0.00 3.58 -1.08 -1.26 -4.21 116.67 119.61 1u5i s ASP 243 Ca 0.10 1.15 0.00 0.00 -0.52 0.00 0.00 52.55 53.28 1u5i s ASP 243 Cb -0.09 -2.34 0.00 0.00 -1.46 0.00 0.00 42.92 39.02 1u5i s ASP 243 CO 0.01 0.19 0.00 2.30 0.52 0.00 0.00 175.17 178.19 1u5i n ILE 244 N 2.29 0.00 0.00 4.11 -6.64 -1.26 -5.11 119.36 112.75 1u5i n ILE 244 Ca -0.09 0.42 0.00 0.00 -1.77 0.00 0.00 62.75 61.31 1u5i n ILE 244 Cb 0.51 -1.41 0.00 0.00 -1.44 0.00 0.00 39.64 37.30 1u5i n ILE 244 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1u5i n GLY 261 N 1.80 -0.52 3.72 3.28 0.00 -1.26 -5.35 105.19 106.87 1u5i n GLY 261 Ca 0.00 0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 1u5i n GLY 261 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1u5i s HIS 262 N 0.00 3.21 -0.13 1.61 5.65 -1.26 -4.92 115.29 119.45 1u5i s HIS 262 Ca 0.00 0.19 -0.10 0.00 0.25 0.00 0.00 55.06 55.40 1u5i s HIS 262 Cb 0.00 -1.76 -0.05 0.00 -1.18 0.00 0.00 32.58 29.60 1u5i s HIS 262 CO 0.00 0.51 0.21 0.00 -0.65 0.00 0.00 174.74 174.81 1u5i s ALA 263 N -1.03 3.76 0.22 1.58 0.00 -1.26 -4.40 121.76 120.62 1u5i s ALA 263 Ca 0.18 -0.55 0.09 0.00 0.00 0.00 0.00 51.96 51.68 1u5i s ALA 263 Cb -0.12 -2.16 -0.05 0.00 0.00 0.00 0.00 23.12 20.80 1u5i s ALA 263 CO 0.08 0.40 -0.17 0.71 0.00 0.00 0.00 175.76 176.78 1u5i s TYR 264 N -0.45 1.91 0.52 0.00 1.51 -1.00 -4.71 117.35 115.13 1u5i s TYR 264 Ca 0.15 -0.48 0.04 0.00 -1.01 0.00 0.00 57.07 55.77 1u5i s TYR 264 Cb -0.13 -0.88 0.04 0.00 -0.11 0.00 0.00 41.96 40.89 1u5i s TYR 264 CO 0.04 0.46 0.32 -1.13 -1.11 0.00 0.00 175.55 174.13 1u5i n SER 265 N -0.33 2.84 -4.26 2.29 3.41 -0.74 -0.67 113.62 116.15 1u5i n SER 265 Ca -0.08 -2.90 -0.35 0.00 -0.26 0.00 0.00 58.87 55.28 1u5i n SER 265 Cb 0.60 0.04 -0.14 0.00 -0.26 0.00 0.00 64.21 64.44 1u5i n SER 265 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1u5i s VAL 266 N -2.67 3.14 -0.70 -3.33 1.01 -1.23 -1.14 120.40 115.49 1u5i s VAL 266 Ca 0.24 -0.68 0.11 0.00 0.00 0.00 0.00 61.98 61.65 1u5i s VAL 266 Cb -0.02 -2.47 -0.08 0.00 0.00 0.00 0.00 36.38 33.81 1u5i s VAL 266 CO 0.15 0.36 0.54 0.35 0.00 0.00 0.00 175.10 176.51 1u5i n THR 267 N 4.75 0.00 -3.81 3.92 -2.24 -0.97 -4.42 114.28 111.51 1u5i n THR 267 Ca -0.18 -0.28 -0.09 0.00 -2.27 0.00 0.00 64.05 61.23 1u5i n THR 267 Cb 0.50 1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 69.74 1u5i n THR 267 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1u5i s GLY 268 N -1.87 0.01 -0.39 3.38 0.00 -1.22 -4.95 107.32 102.30 1u5i s GLY 268 Ca 0.06 -0.35 -0.03 0.00 0.00 0.00 0.00 44.72 44.40 1u5i s GLY 268 CO 0.40 -0.27 1.00 0.00 0.00 0.00 0.00 173.10 174.23 1u5i s ALA 269 N -3.91 -3.87 -0.00 3.20 0.00 -1.25 -1.93 121.76 113.99 1u5i s ALA 269 Ca 0.12 0.39 0.07 0.00 0.00 0.00 0.00 51.96 52.54 1u5i s ALA 269 Cb -0.02 -2.92 -0.02 0.00 0.00 0.00 0.00 23.12 20.16 1u5i s ALA 269 CO 0.02 -2.45 -0.23 -1.21 0.00 0.00 0.00 175.76 171.89 1u5i s GLU 270 N 1.04 1.80 0.55 0.00 2.02 0.61 -4.71 118.70 120.01 1u5i s GLU 270 Ca 0.24 -0.88 -0.16 0.00 0.02 0.00 0.00 54.97 54.20 1u5i s GLU 270 Cb 0.09 -1.79 -0.06 0.00 0.10 0.00 0.00 34.13 32.46 1u5i s GLU 270 CO -0.10 0.48 1.01 -1.83 0.02 0.00 0.00 175.26 174.85 1u5i s GLU 271 N -0.72 3.75 0.00 1.61 -1.05 -1.26 -2.22 118.70 118.81 1u5i s GLU 271 Ca 0.09 0.99 0.00 0.00 -0.15 0.00 0.00 54.97 55.90 1u5i s GLU 271 Cb -0.09 -2.10 0.00 0.00 -0.44 0.00 0.00 34.13 31.50 1u5i s GLU 271 CO -0.00 -0.44 0.00 1.33 0.95 0.00 0.00 175.26 177.10 1u5i n VAL 272 N -1.82 0.00 0.00 1.83 0.24 -1.26 -4.94 118.33 112.38 1u5i n VAL 272 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 1u5i n VAL 272 Cb 0.54 -0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 1u5i n VAL 272 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1u5i n GLN 279 N -1.64 0.00 -2.29 7.34 -0.06 -1.26 -5.23 117.38 114.24 1u5i n GLN 279 Ca 0.00 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.57 1u5i n GLN 279 Cb 0.00 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.16 1u5i n GLN 279 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 1u5i s LYS 280 N 0.00 3.79 -0.21 3.69 2.47 -1.26 -4.97 119.74 123.25 1u5i s LYS 280 Ca 0.00 1.34 -0.10 0.00 -1.56 0.00 0.00 55.97 55.65 1u5i s LYS 280 Cb 0.00 -3.97 0.07 0.00 -1.46 0.00 0.00 37.83 32.47 1u5i s LYS 280 CO 0.00 -1.29 0.48 -1.17 0.16 0.00 0.00 175.35 173.54 1u5i s LEU 281 N 4.94 -0.44 -0.06 5.43 0.20 -0.94 -1.41 118.68 126.39 1u5i s LEU 281 Ca 0.63 1.08 0.05 0.00 0.69 0.00 0.00 54.13 56.58 1u5i s LEU 281 Cb -0.19 1.62 -0.00 0.00 -0.43 0.00 0.00 46.19 47.19 1u5i s LEU 281 CO 0.27 -0.21 -0.20 0.27 -0.29 0.00 0.00 176.35 176.19 1u5i s ILE 282 N 1.78 1.70 0.14 6.68 -5.25 -1.11 -0.28 121.20 124.85 1u5i s ILE 282 Ca -0.08 -0.86 -0.14 0.00 -0.99 0.00 0.00 60.65 58.59 1u5i s ILE 282 Cb -0.09 -1.45 -0.07 0.00 2.95 0.00 0.00 42.46 43.80 1u5i s ILE 282 CO -0.15 0.48 0.53 -0.60 -1.79 0.00 0.00 174.94 173.41 1u5i s ARG 283 N 0.03 3.94 -0.21 0.37 3.52 -0.81 -2.59 118.95 123.20 1u5i s ARG 283 Ca -0.06 0.44 0.00 0.00 -0.13 0.00 0.00 55.73 55.98 1u5i s ARG 283 Cb -0.13 -2.94 0.05 0.00 -1.56 0.00 0.00 34.95 30.37 1u5i s ARG 283 CO 0.03 0.49 -0.06 0.42 -0.81 0.00 0.00 175.30 175.37 1u5i s ILE 284 N -1.46 1.40 0.40 4.11 -1.09 -0.38 -2.28 121.20 121.90 1u5i s ILE 284 Ca 0.37 -0.99 -0.03 0.00 -2.23 0.00 0.00 60.65 57.77 1u5i s ILE 284 Cb -0.15 -1.61 -0.04 0.00 -1.58 0.00 0.00 42.46 39.08 1u5i s ILE 284 CO 0.19 0.01 0.66 -0.60 -1.23 0.00 0.00 174.94 173.97 1u5i s ARG 285 N 1.48 3.53 -0.14 2.79 3.00 -0.29 -2.75 118.95 126.57 1u5i s ARG 285 Ca -0.03 -0.05 -0.03 0.00 -1.00 0.00 0.00 55.73 54.61 1u5i s ARG 285 Cb -0.17 -2.53 0.05 0.00 0.00 0.00 0.00 34.95 32.30 1u5i s ARG 285 CO -0.07 -0.00 0.06 1.21 0.00 0.00 0.00 175.30 176.49 1u5i s ASN 286 N -3.97 2.17 0.53 -2.12 3.04 -1.23 -1.80 114.94 111.57 1u5i s ASN 286 Ca 0.44 -0.47 0.23 0.00 0.04 0.00 0.00 52.86 53.10 1u5i s ASN 286 Cb -0.10 -0.35 1.38 0.00 -1.54 0.00 0.00 41.25 40.64 1u5i s ASN 286 CO 0.39 -0.30 2.04 1.55 -3.04 0.00 0.00 177.10 177.75 1u5i h PRO 287 N 8.36 0.00 0.00 0.43 0.13 -1.88 -2.06 132.00 136.98 1u5i h PRO 287 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1u5i h PRO 287 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1u5i h PRO 287 CO 0.27 0.00 0.00 0.91 -0.23 0.00 0.00 178.00 178.95 1u5i n TRP 288 N -4.38 0.00 -3.01 1.56 8.01 -1.26 -0.18 117.44 118.18 1u5i n TRP 288 Ca 0.06 0.00 -0.19 0.00 -1.31 0.00 0.00 57.50 56.06 1u5i n TRP 288 Cb 0.45 -0.48 0.04 0.00 -2.01 0.00 0.00 31.31 29.31 1u5i n TRP 288 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1u5i s GLY 289 N -2.95 1.82 -0.05 6.99 0.00 -0.77 -4.77 107.32 107.59 1u5i s GLY 289 Ca 0.10 -1.93 0.07 0.00 0.00 0.00 0.00 44.72 42.97 1u5i s GLY 289 CO 0.35 -1.59 1.02 -1.06 0.00 0.00 0.00 173.10 171.82 1u5i n GLN 290 N -2.09 1.95 -3.06 2.90 6.02 -1.26 -4.58 117.38 117.26 1u5i n GLN 290 Ca 0.12 -1.81 0.00 0.00 -0.01 0.00 0.00 57.00 55.31 1u5i n GLN 290 Cb 0.60 -1.12 0.00 0.00 1.02 0.00 0.00 30.24 30.74 1u5i n GLN 290 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u5i n GLY 322 N -0.79 -1.20 0.00 1.08 0.00 -1.25 -4.96 105.19 98.07 1u5i n GLY 322 Ca 0.06 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1u5i n GLY 322 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1u5i n GLU 323 N -0.06 0.57 -3.65 1.61 0.28 -1.26 -3.48 120.64 114.65 1u5i n GLU 323 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.97 1u5i n GLU 323 Cb 0.00 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.80 1u5i n GLU 323 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 1u5i s PHE 324 N -0.15 -0.06 0.49 -1.84 -0.12 -1.11 -4.90 117.98 110.30 1u5i s PHE 324 Ca 0.00 0.14 -0.15 0.00 -0.05 0.00 0.00 56.93 56.87 1u5i s PHE 324 Cb 0.00 0.48 -0.07 0.00 -0.63 0.00 0.00 43.02 42.80 1u5i s PHE 324 CO 0.00 -0.03 0.93 -1.58 -0.05 0.00 0.00 175.22 174.49 1u5i s TRP 325 N -0.12 3.46 0.01 3.49 0.52 -1.26 -1.25 118.94 123.80 1u5i s TRP 325 Ca 0.08 1.36 -0.28 0.00 0.02 0.00 0.00 56.10 57.27 1u5i s TRP 325 Cb -0.04 -2.70 0.08 0.00 -1.15 0.00 0.00 33.47 29.65 1u5i s TRP 325 CO -0.15 -0.32 0.73 0.00 0.02 0.00 0.00 176.95 177.24 1u5i s MET 326 N -4.06 1.03 0.40 4.98 0.23 -1.07 -4.88 119.30 115.93 1u5i s MET 326 Ca 0.57 -0.09 -0.26 0.00 -1.03 0.00 0.00 55.69 54.88 1u5i s MET 326 Cb -0.10 0.48 -0.09 0.00 -1.53 0.00 0.00 34.83 33.59 1u5i s MET 326 CO 0.32 -0.39 1.27 -1.54 -2.03 0.00 0.00 175.02 172.65 1u5i s SER 327 N -1.91 6.36 0.33 -1.18 1.04 -1.26 -2.77 113.70 114.31 1u5i s SER 327 Ca -0.03 2.59 0.13 0.00 0.48 0.00 0.00 55.95 59.12 1u5i s SER 327 Cb -0.01 -2.63 0.72 0.00 0.10 0.00 0.00 66.02 64.20 1u5i s SER 327 CO -0.02 -0.81 1.30 0.15 0.98 0.00 0.00 173.24 174.84 1u5i h PHE 328 N 2.68 0.00 0.00 5.02 3.57 -1.54 -0.74 116.94 125.92 1u5i h PHE 328 Ca -0.49 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 60.70 1u5i h PHE 328 Cb 1.24 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.93 1u5i h PHE 328 CO 0.53 0.00 -2.25 -1.13 -2.23 0.00 0.00 178.31 173.23 1u5i n SER 329 N -2.07 0.09 0.08 0.41 3.41 -1.26 -3.04 113.62 111.23 1u5i n SER 329 Ca -0.01 0.04 -0.21 0.00 -0.26 0.00 0.00 58.87 58.43 1u5i n SER 329 Cb 0.33 1.05 -0.13 0.00 -0.26 0.00 0.00 64.21 65.20 1u5i n SER 329 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1u5i h ASP 330 N 0.00 0.74 -0.41 4.04 3.32 -1.84 -3.22 116.42 119.04 1u5i h ASP 330 Ca -0.44 -0.85 0.04 0.00 0.02 0.00 0.00 57.03 55.80 1u5i h ASP 330 Cb 2.03 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 41.28 1u5i h ASP 330 CO 0.03 1.52 -0.38 0.15 -1.72 0.00 0.00 179.24 178.84 1u5i h PHE 331 N 0.07 -1.19 0.00 4.55 3.04 -1.25 0.50 116.94 122.66 1u5i h PHE 331 Ca -0.17 0.07 0.00 0.00 3.98 0.00 0.00 57.97 61.85 1u5i h PHE 331 Cb 1.80 0.57 0.00 0.00 2.56 0.00 0.00 35.95 40.88 1u5i h PHE 331 CO 0.14 -0.30 0.57 -0.07 -2.02 0.00 0.00 178.31 176.63 1u5i h LEU 332 N -0.17 0.00 0.00 0.59 4.07 -1.55 0.36 115.31 118.61 1u5i h LEU 332 Ca 0.07 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.95 1u5i h LEU 332 Cb 0.35 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 1u5i h LEU 332 CO -0.48 0.00 -1.26 0.54 -1.08 0.00 0.00 178.44 176.16 1u5i n ARG 333 N -2.37 0.11 -0.08 1.13 1.74 -0.46 -4.57 116.66 112.15 1u5i n ARG 333 Ca -0.01 0.04 -0.11 0.00 -0.77 0.00 0.00 57.85 57.00 1u5i n ARG 333 Cb 0.59 -0.86 0.03 0.00 -1.02 0.00 0.00 32.46 31.20 1u5i n ARG 333 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1u5i h HIS 334 N -0.09 0.95 -2.81 -1.55 2.76 0.12 -3.46 115.15 111.07 1u5i h HIS 334 Ca -0.11 -0.27 -0.59 0.00 -2.20 0.00 0.00 60.37 57.20 1u5i h HIS 334 Cb 1.13 -0.20 -0.05 0.00 1.55 0.00 0.00 27.41 29.83 1u5i h HIS 334 CO -0.01 1.05 -0.53 0.71 -1.30 0.00 0.00 177.93 177.85 1u5i s TYR 335 N -4.36 3.35 -0.03 5.26 1.51 0.11 -4.68 117.35 118.51 1u5i s TYR 335 Ca -0.10 0.11 0.03 0.00 -1.01 0.00 0.00 57.07 56.10 1u5i s TYR 335 Cb 0.12 -1.64 -0.04 0.00 -0.11 0.00 0.00 41.96 40.29 1u5i s TYR 335 CO 0.86 0.54 0.07 -1.13 -1.11 0.00 0.00 175.55 174.77 1u5i n SER 336 N -0.09 3.61 -4.04 2.29 3.41 -0.50 -4.71 113.62 113.60 1u5i n SER 336 Ca -0.07 -0.10 -0.21 0.00 -0.26 0.00 0.00 58.87 58.23 1u5i n SER 336 Cb 0.53 1.10 -0.15 0.00 -0.26 0.00 0.00 64.21 65.43 1u5i n SER 336 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1u5i s ARG 337 N -2.02 1.05 -0.15 4.33 0.52 -1.11 -2.10 118.95 119.48 1u5i s ARG 337 Ca -0.01 -0.38 0.02 0.00 -0.52 0.00 0.00 55.73 54.84 1u5i s ARG 337 Cb 0.02 -0.98 0.02 0.00 0.52 0.00 0.00 34.95 34.52 1u5i s ARG 337 CO 0.11 0.17 -0.19 -1.17 0.02 0.00 0.00 175.30 174.24 1u5i s LEU 338 N 0.02 1.99 -0.18 2.53 1.98 -0.39 -2.40 118.68 122.23 1u5i s LEU 338 Ca -0.01 -0.57 -0.01 0.00 -2.89 0.00 0.00 54.13 50.65 1u5i s LEU 338 Cb -0.08 -1.36 -0.00 0.00 0.66 0.00 0.00 46.19 45.42 1u5i s LEU 338 CO 0.00 0.03 -0.12 -1.61 -1.89 0.00 0.00 176.35 172.76 1u5i s GLU 339 N 1.08 3.26 0.03 1.98 2.02 -0.03 -1.34 118.70 125.70 1u5i s GLU 339 Ca -0.02 -0.71 0.06 0.00 0.02 0.00 0.00 54.97 54.33 1u5i s GLU 339 Cb -0.14 -2.77 -0.03 0.00 0.10 0.00 0.00 34.13 31.29 1u5i s GLU 339 CO -0.06 -0.09 -0.16 0.42 0.02 0.00 0.00 175.26 175.38 1u5i s ILE 340 N 1.12 2.92 -0.33 -1.63 1.01 1.07 -2.54 121.20 122.82 1u5i s ILE 340 Ca 0.01 -1.10 -0.01 0.00 0.00 0.00 0.00 60.65 59.55 1u5i s ILE 340 Cb -0.14 -2.23 0.11 0.00 0.01 0.00 0.00 42.46 40.21 1u5i s ILE 340 CO -0.03 0.36 0.15 0.00 0.00 0.00 0.00 174.94 175.42 1u5i s ASN 342 N 1.44 6.61 0.28 0.00 -0.87 -1.14 -2.92 114.94 118.34 1u5i s ASN 342 Ca 0.12 2.49 -0.09 0.00 -1.57 0.00 0.00 52.86 53.82 1u5i s ASN 342 Cb -0.19 -2.57 -0.07 0.00 -0.02 0.00 0.00 41.25 38.40 1u5i s ASN 342 CO -0.19 -0.86 0.60 -0.76 -2.57 0.00 0.00 177.10 173.31 1u5i s LEU 343 N 2.33 4.07 0.70 0.60 2.01 -1.26 -2.55 118.68 124.58 1u5i s LEU 343 Ca 0.73 0.91 -0.14 0.00 0.01 0.00 0.00 54.13 55.63 1u5i s LEU 343 Cb -0.40 -3.72 0.02 0.00 0.01 0.00 0.00 46.19 42.11 1u5i s LEU 343 CO 0.32 -0.18 1.14 0.42 1.01 0.00 0.00 176.35 179.06 1u5i s THR 344 N -2.01 2.88 0.54 5.49 -4.23 -1.26 -4.39 115.64 112.67 1u5i s THR 344 Ca 0.47 0.40 0.29 0.00 -1.18 0.00 0.00 61.69 61.68 1u5i s THR 344 Cb -0.11 -2.91 0.34 0.00 1.34 0.00 0.00 72.50 71.16 1u5i s THR 344 CO 0.25 -0.26 2.21 1.55 -0.54 0.00 0.00 174.62 177.83 1u5i h PRO 345 N -0.23 0.00 -0.39 3.99 0.13 -1.95 -1.79 132.00 131.76 1u5i h PRO 345 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1u5i h PRO 345 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1u5i h PRO 345 CO 0.52 0.04 0.00 -0.40 -0.23 0.00 0.00 178.00 177.92 1u5i n ASP 346 N -3.78 2.69 0.22 1.44 3.85 -1.26 -4.45 116.55 115.26 1u5i n ASP 346 Ca -0.03 -1.92 -0.09 0.00 -0.71 0.00 0.00 54.79 52.04 1u5i n ASP 346 Cb 0.13 -0.25 -0.04 0.00 -1.35 0.00 0.00 41.12 39.60 1u5i n ASP 346 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.20 176.93 1u5i h THR 347 N 3.25 0.00 -3.24 2.12 2.02 -1.69 -3.45 112.91 111.93 1u5i h THR 347 Ca 0.00 -0.36 -0.57 0.00 0.77 0.00 0.00 66.41 66.25 1u5i h THR 347 Cb 0.73 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 1u5i h THR 347 CO 0.00 0.00 -0.18 -0.76 0.37 0.00 0.00 175.52 174.95 1u5i s LEU 348 N -8.31 4.31 0.00 2.58 1.43 -1.26 -4.81 118.68 112.62 1u5i s LEU 348 Ca -0.09 0.89 0.14 0.00 -1.03 0.00 0.00 54.13 54.04 1u5i s LEU 348 Cb 0.01 -3.21 0.10 0.00 0.03 0.00 0.00 46.19 43.12 1u5i s LEU 348 CO 0.27 0.10 0.93 0.35 0.23 0.00 0.00 176.35 178.23 1u5i n THR 349 N 0.64 0.00 -0.63 5.49 -2.24 -1.26 -4.94 114.28 111.34 1u5i n THR 349 Ca -0.05 -0.49 -0.19 0.00 -2.27 0.00 0.00 64.05 61.05 1u5i n THR 349 Cb 0.52 1.28 -0.06 0.00 -2.10 0.00 0.00 70.33 69.97 1u5i n THR 349 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u5i n ASP 351 N 4.35 0.30 -2.33 0.00 3.85 -1.26 -2.26 116.55 119.21 1u5i n ASP 351 Ca 0.28 -1.48 -0.05 0.00 -0.71 0.00 0.00 54.79 52.83 1u5i n ASP 351 Cb 0.01 -1.24 0.01 0.00 -1.35 0.00 0.00 41.12 38.54 1u5i n ASP 351 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 1u5i n SER 352 N 13.64 -5.69 -0.39 -1.12 7.64 -1.26 -4.99 113.62 121.44 1u5i n SER 352 Ca 0.43 0.36 0.04 0.00 1.01 0.00 0.00 58.87 60.71 1u5i n SER 352 Cb 0.38 -3.72 0.07 0.00 -1.01 0.00 0.00 64.21 59.93 1u5i n SER 352 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u5i n TYR 353 N -0.34 0.18 -2.19 1.43 4.19 -0.96 -5.09 117.16 114.39 1u5i n TYR 353 Ca 0.07 -0.28 -0.00 0.00 3.31 0.00 0.00 57.90 61.00 1u5i n TYR 353 Cb 0.27 -0.02 -0.00 0.00 0.49 0.00 0.00 39.34 40.08 1u5i n TYR 353 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94 1u5i n LYS 354 N 0.32 -2.63 -3.89 2.98 3.00 -1.26 -4.41 118.16 112.27 1u5i n LYS 354 Ca 0.07 1.90 -0.22 0.00 -0.00 0.00 0.00 58.31 60.06 1u5i n LYS 354 Cb 0.30 -2.63 -0.04 0.00 0.00 0.00 0.00 35.03 32.65 1u5i n LYS 354 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1u5i s LYS 355 N -0.30 2.63 0.59 1.64 0.00 -1.26 -4.48 119.74 118.55 1u5i s LYS 355 Ca -0.00 -1.37 -0.19 0.00 0.00 0.00 0.00 55.97 54.41 1u5i s LYS 355 Cb 0.00 -2.39 -0.04 0.00 0.00 0.00 0.00 37.83 35.40 1u5i s LYS 355 CO 0.00 0.09 1.23 -1.58 0.00 0.00 0.00 175.35 175.10 1u5i s TRP 356 N -2.34 2.36 -0.16 1.78 0.52 -1.26 -4.89 118.94 114.95 1u5i s TRP 356 Ca 0.40 1.50 -0.09 0.00 0.02 0.00 0.00 56.10 57.93 1u5i s TRP 356 Cb -0.05 -3.53 -0.05 0.00 -1.15 0.00 0.00 33.47 28.69 1u5i s TRP 356 CO 0.25 -2.33 0.14 0.15 0.02 0.00 0.00 176.95 175.19 1u5i s LYS 357 N -3.27 3.86 -0.03 4.98 -0.14 -0.10 -4.16 119.74 120.88 1u5i s LYS 357 Ca 0.77 -0.16 0.06 0.00 -1.36 0.00 0.00 55.97 55.28 1u5i s LYS 357 Cb -0.32 -3.32 -0.01 0.00 -1.68 0.00 0.00 37.83 32.50 1u5i s LYS 357 CO 0.35 0.51 -0.23 -1.17 -0.76 0.00 0.00 175.35 174.05 1u5i s LEU 358 N -0.26 2.03 0.02 3.17 2.96 -1.25 -0.50 118.68 124.85 1u5i s LEU 358 Ca 0.11 -0.43 -0.00 0.00 -0.22 0.00 0.00 54.13 53.59 1u5i s LEU 358 Cb -0.12 -1.21 -0.02 0.00 0.50 0.00 0.00 46.19 45.35 1u5i s LEU 358 CO 0.01 0.25 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.38 1u5i s THR 359 N -0.36 0.09 0.04 3.68 2.01 0.18 -4.93 115.64 116.35 1u5i s THR 359 Ca 0.04 -0.74 -0.04 0.00 0.31 0.00 0.00 61.69 61.25 1u5i s THR 359 Cb -0.11 -0.22 -0.02 0.00 0.01 0.00 0.00 72.50 72.17 1u5i s THR 359 CO 0.01 -0.41 0.06 -1.59 -0.69 0.00 0.00 174.62 172.00 1u5i s LYS 360 N -1.19 0.58 0.32 4.92 -2.85 -1.26 0.33 119.74 120.58 1u5i s LYS 360 Ca -0.13 -0.85 0.07 0.00 -1.00 0.00 0.00 55.97 54.06 1u5i s LYS 360 Cb -0.08 0.22 -0.03 0.00 -2.06 0.00 0.00 37.83 35.88 1u5i s LYS 360 CO -0.01 -0.14 0.29 -1.33 0.10 0.00 0.00 175.35 174.26 1u5i n MET 361 N 0.68 0.42 -4.22 1.78 2.81 -0.16 -4.96 117.12 113.46 1u5i n MET 361 Ca -0.18 -3.20 -0.17 0.00 -1.81 0.00 0.00 57.70 52.34 1u5i n MET 361 Cb 0.59 2.66 -0.13 0.00 -0.71 0.00 0.00 33.22 35.62 1u5i n MET 361 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1u5i s ASP 362 N -3.25 1.15 0.30 7.83 1.11 -1.26 -1.25 116.67 121.29 1u5i s ASP 362 Ca 0.38 -0.40 -0.12 0.00 0.18 0.00 0.00 52.55 52.60 1u5i s ASP 362 Cb 0.02 -0.05 0.01 0.00 1.07 0.00 0.00 42.92 43.96 1u5i s ASP 362 CO 0.27 -0.03 0.56 -0.83 1.18 0.00 0.00 175.17 176.31 1u5i s GLY 363 N -1.02 0.66 0.02 0.21 0.00 0.02 -4.96 107.32 102.26 1u5i s GLY 363 Ca -0.02 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 43.77 1u5i s GLY 363 CO 0.01 -0.60 -0.05 0.54 0.00 0.00 0.00 173.10 173.00 1u5i s ASN 364 N -3.07 0.48 -0.12 1.64 6.03 -1.26 -1.01 114.94 117.63 1u5i s ASN 364 Ca 0.22 -0.35 -0.05 0.00 -1.03 0.00 0.00 52.86 51.65 1u5i s ASN 364 Cb -0.02 0.03 -0.04 0.00 -3.03 0.00 0.00 41.25 38.19 1u5i s ASN 364 CO 0.12 -0.15 0.05 0.26 -2.03 0.00 0.00 177.10 175.35 1u5i s TRP 365 N -0.93 3.30 -0.04 1.54 0.51 0.37 -4.72 118.94 118.97 1u5i s TRP 365 Ca -0.08 0.24 -0.01 0.00 -2.12 0.00 0.00 56.10 54.14 1u5i s TRP 365 Cb -0.07 -1.91 0.03 0.00 -0.81 0.00 0.00 33.47 30.72 1u5i s TRP 365 CO -0.00 0.45 0.03 1.03 -0.51 0.00 0.00 176.95 177.95 1u5i s ARG 366 N -0.58 0.15 0.02 4.98 1.81 -1.26 -1.74 118.95 122.33 1u5i s ARG 366 Ca 0.11 0.21 -0.30 0.00 -1.72 0.00 0.00 55.73 54.03 1u5i s ARG 366 Cb -0.12 -0.53 -0.08 0.00 -0.45 0.00 0.00 34.95 33.78 1u5i s ARG 366 CO 0.02 -0.24 1.83 0.50 -0.68 0.00 0.00 175.30 176.74 1u5i s ARG 367 N 1.59 4.16 0.00 3.54 3.52 -1.26 -1.40 118.95 129.10 1u5i s ARG 367 Ca -0.02 2.46 0.00 0.00 -0.13 0.00 0.00 55.73 58.04 1u5i s ARG 367 Cb -0.13 -4.01 0.00 0.00 -1.56 0.00 0.00 34.95 29.26 1u5i s ARG 367 CO -0.03 -0.89 0.00 0.41 -0.81 0.00 0.00 175.30 173.98 1u5i n GLY 368 N 4.34 1.26 2.08 8.12 0.00 -1.26 -4.81 105.19 114.91 1u5i n GLY 368 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1u5i n GLY 368 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u5i n SER 369 N 0.00 -1.39 -0.21 1.61 3.41 -0.81 -2.44 113.62 113.79 1u5i n SER 369 Ca 0.00 0.39 0.05 0.00 -0.26 0.00 0.00 58.87 59.05 1u5i n SER 369 Cb 0.00 1.48 -0.01 0.00 -0.26 0.00 0.00 64.21 65.42 1u5i n SER 369 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1u5i n THR 370 N -3.01 0.00 -2.89 6.66 -2.24 -0.49 -4.82 114.28 107.49 1u5i n THR 370 Ca 0.00 -0.38 -0.43 0.00 -2.27 0.00 0.00 64.05 60.97 1u5i n THR 370 Cb 0.00 1.11 -0.04 0.00 -2.10 0.00 0.00 70.33 69.30 1u5i n THR 370 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u5i s ALA 371 N -1.46 3.16 0.00 6.98 0.00 -1.03 -3.90 121.76 125.52 1u5i s ALA 371 Ca 0.08 -1.93 0.00 0.00 0.00 0.00 0.00 51.96 50.11 1u5i s ALA 371 Cb 0.08 -3.82 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1u5i s ALA 371 CO 0.28 -2.73 0.00 0.41 0.00 0.00 0.00 175.76 173.72 1u5i n GLY 372 N 5.33 0.16 1.67 0.00 0.00 -1.26 -2.36 105.19 108.73 1u5i n GLY 372 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1u5i n GLY 372 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u5i n GLY 373 N 3.83 -3.06 0.48 -0.02 0.00 -1.26 -2.36 105.19 102.80 1u5i n GLY 373 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1u5i n GLY 373 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u5i n ARG 375 N 0.36 0.01 0.02 0.00 -4.01 -1.26 -1.13 116.66 110.66 1u5i n ARG 375 Ca 0.00 0.91 0.01 0.00 -1.04 0.00 0.00 57.85 57.74 1u5i n ARG 375 Cb 0.00 -2.28 0.08 0.00 -3.04 0.00 0.00 32.46 27.21 1u5i n ARG 375 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 1u5i n ASN 376 N -3.00 0.07 -3.49 2.89 5.03 -1.26 -4.08 115.26 111.43 1u5i n ASN 376 Ca 0.20 0.52 -0.27 0.00 0.87 0.00 0.00 54.58 55.89 1u5i n ASN 376 Cb 1.35 -0.52 -0.10 0.00 -1.02 0.00 0.00 39.78 39.49 1u5i n ASN 376 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1u5i n TYR 377 N -1.58 0.44 0.91 3.10 4.01 -0.28 -4.94 117.16 118.83 1u5i n TYR 377 Ca -0.00 -3.64 0.13 0.00 -0.16 0.00 0.00 57.90 54.23 1u5i n TYR 377 Cb 0.03 -0.08 0.45 0.00 -0.31 0.00 0.00 39.34 39.42 1u5i n TYR 377 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1u5i n PRO 378 N 2.31 0.06 0.33 -0.72 -0.04 -1.26 -0.58 135.00 135.11 1u5i n PRO 378 Ca 0.26 0.04 0.21 0.00 -0.04 0.00 0.00 63.50 63.96 1u5i n PRO 378 Cb 0.45 -1.56 1.13 0.00 -0.04 0.00 0.00 33.50 33.48 1u5i n PRO 378 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1u5i h ASN 379 N 0.00 0.00 0.00 3.54 -0.26 -1.94 -3.35 115.58 113.56 1u5i h ASN 379 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1u5i h ASN 379 Cb 0.55 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.81 1u5i h ASN 379 CO 0.00 0.00 -0.07 0.35 -1.06 0.00 0.00 177.43 176.66 1u5i n THR 380 N -3.32 0.00 -0.24 2.81 -2.24 -0.91 -4.86 114.28 105.53 1u5i n THR 380 Ca -0.03 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.80 1u5i n THR 380 Cb 0.08 -0.01 0.16 0.00 -2.10 0.00 0.00 70.33 68.46 1u5i n THR 380 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1u5i h PHE 381 N 0.00 0.14 0.00 4.78 3.57 -0.98 1.25 116.94 125.70 1u5i h PHE 381 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1u5i h PHE 381 Cb 0.03 0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1u5i h PHE 381 CO 0.00 -0.14 0.00 -2.67 -2.23 0.00 0.00 178.31 173.27 1u5i n TRP 382 N -5.22 0.00 0.83 0.41 4.27 -1.26 -1.33 117.44 115.13 1u5i n TRP 382 Ca 0.13 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.86 1u5i n TRP 382 Cb 0.44 -0.43 0.31 0.00 -1.36 0.00 0.00 31.31 30.27 1u5i n TRP 382 CO 0.00 0.00 0.00 -1.33 -2.29 0.00 0.00 177.69 174.07 1u5i n MET 383 N -1.43 0.12 -1.01 -2.67 2.81 0.43 -4.82 117.12 110.55 1u5i n MET 383 Ca 0.01 0.05 -0.28 0.00 -1.81 0.00 0.00 57.70 55.66 1u5i n MET 383 Cb 0.04 -1.59 0.20 0.00 -0.71 0.00 0.00 33.22 31.16 1u5i n MET 383 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1u5i s ASN 384 N -3.54 2.03 0.33 7.83 0.01 -0.44 -4.48 114.94 116.69 1u5i s ASN 384 Ca 0.10 1.21 -0.26 0.00 -0.71 0.00 0.00 52.86 53.21 1u5i s ASN 384 Cb 0.16 -1.90 -0.10 0.00 0.41 0.00 0.00 41.25 39.82 1u5i s ASN 384 CO 0.66 -3.50 0.95 -2.84 -1.51 0.00 0.00 177.10 170.86 1u5i s PRO 385 N -4.85 4.54 0.11 -0.60 0.02 -1.26 -5.05 135.00 127.91 1u5i s PRO 385 Ca 0.66 1.32 0.07 0.00 0.02 0.00 0.00 61.00 63.07 1u5i s PRO 385 Cb -0.20 -2.74 -0.04 0.00 0.02 0.00 0.00 34.50 31.54 1u5i s PRO 385 CO 0.59 0.24 -0.08 -0.65 -0.33 0.00 0.00 177.00 176.77 1u5i s GLN 386 N -2.16 2.17 0.08 5.54 -0.21 -1.26 -4.08 119.66 119.74 1u5i s GLN 386 Ca 0.51 -1.03 0.03 0.00 0.02 0.00 0.00 55.36 54.89 1u5i s GLN 386 Cb -0.18 -2.32 -0.03 0.00 1.00 0.00 0.00 33.01 31.48 1u5i s GLN 386 CO 0.23 0.50 -0.09 0.71 -2.12 0.00 0.00 175.29 174.52 1u5i s TYR 387 N -1.29 0.92 -0.23 0.91 1.51 0.89 -2.51 117.35 117.55 1u5i s TYR 387 Ca 0.22 -0.64 -0.00 0.00 -1.01 0.00 0.00 57.07 55.64 1u5i s TYR 387 Cb -0.11 -0.52 0.03 0.00 -0.11 0.00 0.00 41.96 41.25 1u5i s TYR 387 CO 0.15 -0.05 -0.10 -1.17 -1.11 0.00 0.00 175.55 173.27 1u5i s LEU 388 N -2.24 2.95 -0.24 -1.29 1.98 -0.01 0.32 118.68 120.16 1u5i s LEU 388 Ca 0.01 -0.87 -0.14 0.00 -2.89 0.00 0.00 54.13 50.25 1u5i s LEU 388 Cb -0.04 -1.61 -0.04 0.00 0.66 0.00 0.00 46.19 45.16 1u5i s LEU 388 CO -0.01 -0.10 0.31 -0.63 -1.89 0.00 0.00 176.35 174.03 1u5i s ILE 389 N 1.29 5.25 -0.15 6.68 -1.09 -0.08 -1.30 121.20 131.81 1u5i s ILE 389 Ca 0.00 0.48 -0.02 0.00 -2.23 0.00 0.00 60.65 58.88 1u5i s ILE 389 Cb -0.16 -3.64 0.05 0.00 -1.58 0.00 0.00 42.46 37.13 1u5i s ILE 389 CO -0.07 0.26 0.01 -0.75 -1.23 0.00 0.00 174.94 173.16 1u5i s LYS 390 N 1.46 0.74 0.71 2.79 2.20 -0.78 0.85 119.74 127.71 1u5i s LYS 390 Ca 0.14 -0.24 -0.08 0.00 -0.36 0.00 0.00 55.97 55.42 1u5i s LYS 390 Cb -0.15 -1.69 0.05 0.00 -1.51 0.00 0.00 37.83 34.54 1u5i s LYS 390 CO 0.08 -0.49 1.05 -0.51 -0.36 0.00 0.00 175.35 175.11 1u5i s LEU 391 N 1.87 2.81 0.16 5.43 2.01 -0.65 -1.03 118.68 129.28 1u5i s LEU 391 Ca 0.02 0.66 0.00 0.00 0.01 0.00 0.00 54.13 54.81 1u5i s LEU 391 Cb -0.15 -3.31 0.00 0.00 0.01 0.00 0.00 46.19 42.74 1u5i s LEU 391 CO -0.07 -1.56 0.00 -1.84 1.01 0.00 0.00 176.35 173.89 1u5i n GLU 392 N -2.98 0.00 -2.71 1.70 0.28 -1.26 -3.77 120.64 111.90 1u5i n GLU 392 Ca 0.07 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.64 1u5i n GLU 392 Cb 0.60 -0.06 -0.03 0.00 1.43 0.00 0.00 31.44 33.38 1u5i n GLU 392 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1u5i s GLU 393 N -1.60 3.61 0.29 3.44 2.12 -1.26 -4.79 118.70 120.52 1u5i s GLU 393 Ca 0.00 0.33 -0.29 0.00 0.36 0.00 0.00 54.97 55.38 1u5i s GLU 393 Cb 0.00 -3.93 -0.14 0.00 0.26 0.00 0.00 34.13 30.33 1u5i s GLU 393 CO 0.00 -1.32 1.15 0.39 -0.54 0.00 0.00 175.26 174.93 1u5i n GLU 394 N 7.54 1.65 -1.06 4.30 1.02 -1.26 -4.54 120.64 128.29 1u5i n GLU 394 Ca 0.09 0.58 -0.45 0.00 -0.02 0.00 0.00 57.16 57.36 1u5i n GLU 394 Cb 0.49 -2.05 -0.08 0.00 -0.02 0.00 0.00 31.44 29.78 1u5i n GLU 394 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1u5i n ASP 395 N 1.24 0.69 -4.24 1.62 9.92 1.00 -4.86 116.55 121.92 1u5i n ASP 395 Ca 0.09 0.66 -0.43 0.00 -0.53 0.00 0.00 54.79 54.58 1u5i n ASP 395 Cb 0.33 -0.62 -0.01 0.00 -0.64 0.00 0.00 41.12 40.17 1u5i n ASP 395 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1u5i n GLU 396 N 3.97 0.00 -2.21 -1.24 1.02 -1.26 -4.68 120.64 116.24 1u5i n GLU 396 Ca 0.30 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 57.11 1u5i n GLU 396 Cb -0.04 -0.98 -0.01 0.00 -0.02 0.00 0.00 31.44 30.40 1u5i n GLU 396 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1u5i s ASP 397 N -0.98 6.07 0.00 1.62 -1.08 -1.26 -5.00 116.67 116.05 1u5i s ASP 397 Ca 0.60 1.78 0.00 0.00 -0.52 0.00 0.00 52.55 54.41 1u5i s ASP 397 Cb -0.73 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.20 1u5i s ASP 397 CO 0.59 -0.97 0.00 -0.90 0.52 0.00 0.00 175.17 174.41 1u5i n ASP 398 N -1.74 0.00 0.00 -0.34 5.75 -1.26 -5.08 116.55 113.88 1u5i n ASP 398 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.86 1u5i n ASP 398 Cb 0.53 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 1u5i n ASP 398 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1u5i n GLU 399 N -0.20 0.00 -3.03 0.11 0.00 -1.26 -5.20 120.64 111.07 1u5i n GLU 399 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 57.16 56.96 1u5i n GLU 399 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 31.44 31.50 1u5i n GLU 399 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1u5i s ASP 400 N 0.00 5.10 -0.05 -1.84 1.01 -1.26 -5.06 116.67 114.57 1u5i s ASP 400 Ca 0.00 -0.84 -0.04 0.00 0.71 0.00 0.00 52.55 52.39 1u5i s ASP 400 Cb 0.00 0.28 0.02 0.00 1.01 0.00 0.00 42.92 44.23 1u5i s ASP 400 CO 0.00 -1.34 0.13 -0.83 0.21 0.00 0.00 175.17 173.34 1u5i s GLY 401 N -4.66 -0.07 -0.20 0.21 0.00 -1.26 -4.94 107.32 96.39 1u5i s GLY 401 Ca 0.62 0.46 -0.02 0.00 0.00 0.00 0.00 44.72 45.78 1u5i s GLY 401 CO 0.39 0.55 -0.11 -1.83 0.00 0.00 0.00 173.10 172.10 1u5i s GLU 402 N 0.46 3.21 0.00 2.90 4.04 -1.26 -4.32 118.70 123.74 1u5i s GLU 402 Ca -0.03 -0.71 0.00 0.00 0.04 0.00 0.00 54.97 54.27 1u5i s GLU 402 Cb -0.05 -2.82 0.00 0.00 0.02 0.00 0.00 34.13 31.28 1u5i s GLU 402 CO -0.02 -0.20 0.00 2.89 -1.84 0.00 0.00 175.26 176.09 1u5i n ARG 403 N 4.72 0.00 -1.56 -4.83 1.85 -1.26 -4.99 116.66 110.59 1u5i n ARG 403 Ca -0.19 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.24 1u5i n ARG 403 Cb 0.50 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.89 1u5i n ARG 403 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1u5i n GLY 404 N 0.00 3.25 3.64 2.89 0.00 -1.26 -1.19 105.19 112.53 1u5i n GLY 404 Ca 0.00 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 1u5i n GLY 404 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u5i s THR 406 N 3.15 5.21 0.04 0.00 2.01 -1.26 -2.66 115.64 122.13 1u5i s THR 406 Ca 0.40 0.71 -0.14 0.00 0.31 0.00 0.00 61.69 62.97 1u5i s THR 406 Cb -0.14 -3.69 0.02 0.00 0.01 0.00 0.00 72.50 68.70 1u5i s THR 406 CO 0.09 0.44 0.32 0.72 -0.69 0.00 0.00 174.62 175.51 1u5i s PHE 407 N -0.05 -0.13 -0.11 4.92 -0.71 -0.47 -1.69 117.98 119.74 1u5i s PHE 407 Ca 0.21 0.02 -0.03 0.00 -1.04 0.00 0.00 56.93 56.10 1u5i s PHE 407 Cb -0.15 0.12 -0.03 0.00 -1.21 0.00 0.00 43.02 41.75 1u5i s PHE 407 CO 0.08 -0.51 -0.00 -0.51 -1.34 0.00 0.00 175.22 172.94 1u5i s LEU 408 N -2.02 3.53 -0.22 -1.99 1.43 0.28 -1.26 118.68 118.44 1u5i s LEU 408 Ca -0.05 0.08 -0.04 0.00 -1.03 0.00 0.00 54.13 53.09 1u5i s LEU 408 Cb -0.01 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 1u5i s LEU 408 CO -0.03 0.32 -0.04 -0.69 0.23 0.00 0.00 176.35 176.14 1u5i s VAL 409 N -0.54 3.44 -0.02 -1.59 1.01 -0.93 -1.69 120.40 120.08 1u5i s VAL 409 Ca 0.09 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.67 1u5i s VAL 409 Cb -0.12 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 1u5i s VAL 409 CO 0.02 0.43 -0.23 -0.83 0.00 0.00 0.00 175.10 174.48 1u5i s GLY 410 N 1.39 1.14 -0.24 4.51 0.00 -0.55 -2.89 107.32 110.68 1u5i s GLY 410 Ca 0.05 -1.00 0.02 0.00 0.00 0.00 0.00 44.72 43.78 1u5i s GLY 410 CO -0.02 -0.83 -0.10 -2.27 0.00 0.00 0.00 173.10 169.88 1u5i s LEU 411 N -0.55 3.01 0.13 0.66 2.96 -0.84 0.73 118.68 124.78 1u5i s LEU 411 Ca 0.09 -1.25 0.08 0.00 -0.22 0.00 0.00 54.13 52.82 1u5i s LEU 411 Cb -0.09 -1.40 -0.04 0.00 0.50 0.00 0.00 46.19 45.16 1u5i s LEU 411 CO -0.01 -0.19 -0.10 -0.51 -1.32 0.00 0.00 176.35 174.22 1u5i s ILE 412 N 1.23 3.32 -0.20 6.68 2.07 0.52 -1.69 121.20 133.13 1u5i s ILE 412 Ca -0.07 -1.39 -0.10 0.00 -1.41 0.00 0.00 60.65 57.69 1u5i s ILE 412 Cb -0.19 -2.58 -0.05 0.00 0.13 0.00 0.00 42.46 39.77 1u5i s ILE 412 CO -0.06 0.04 0.12 0.00 -1.91 0.00 0.00 174.94 173.13 1u5i s GLN 413 N -2.40 4.14 0.45 3.50 -2.07 0.09 -2.51 119.66 120.86 1u5i s GLN 413 Ca 0.22 -0.23 -0.08 0.00 -1.82 0.00 0.00 55.36 53.45 1u5i s GLN 413 Cb -0.10 -3.39 -0.05 0.00 -1.09 0.00 0.00 33.01 28.38 1u5i s GLN 413 CO 0.14 0.31 0.79 0.15 -1.32 0.00 0.00 175.29 175.36 1u5i s LYS 414 N 0.33 3.66 -0.25 9.60 1.02 0.03 -4.94 119.74 129.18 1u5i s LYS 414 Ca 0.08 0.35 -0.43 0.00 0.02 0.00 0.00 55.97 55.98 1u5i s LYS 414 Cb -0.11 -2.37 -0.19 0.00 -0.52 0.00 0.00 37.83 34.63 1u5i s LYS 414 CO -0.02 -0.14 1.43 1.58 -0.92 0.00 0.00 175.35 177.29 1u5i n HIS 415 N -1.81 1.44 -4.06 3.18 -0.00 -1.26 -4.76 115.22 107.95 1u5i n HIS 415 Ca 0.02 0.98 -0.24 0.00 -0.00 0.00 0.00 57.72 58.47 1u5i n HIS 415 Cb 0.54 -2.23 -0.04 0.00 -0.00 0.00 0.00 29.99 28.26 1u5i n HIS 415 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1u5i s ARG 416 N 1.91 3.05 0.14 1.57 0.52 -1.26 -4.98 118.95 119.91 1u5i s ARG 416 Ca 0.98 -0.87 0.17 0.00 -0.52 0.00 0.00 55.73 55.49 1u5i s ARG 416 Cb -1.31 -2.70 0.76 0.00 0.52 0.00 0.00 34.95 32.22 1u5i s ARG 416 CO 0.68 0.46 1.53 0.54 0.02 0.00 0.00 175.30 178.53 1u5i n ARG 417 N -0.72 0.09 -0.99 3.54 5.12 -1.26 -1.29 116.66 121.15 1u5i n ARG 417 Ca -0.08 0.40 -0.11 0.00 -1.93 0.00 0.00 57.85 56.13 1u5i n ARG 417 Cb 0.56 -1.71 0.23 0.00 -1.16 0.00 0.00 32.46 30.38 1u5i n ARG 417 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1u5i n ARG 418 N -1.89 2.60 -3.51 5.56 1.85 -1.26 -4.86 116.66 115.15 1u5i n ARG 418 Ca 0.02 -3.07 -0.42 0.00 -1.00 0.00 0.00 57.85 53.38 1u5i n ARG 418 Cb 0.15 -2.06 -0.10 0.00 -1.05 0.00 0.00 32.46 29.40 1u5i n ARG 418 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1u5i s GLN 419 N -3.17 2.90 0.20 2.89 -1.52 -0.41 -4.79 119.66 115.77 1u5i s GLN 419 Ca 0.52 -1.09 0.20 0.00 -1.95 0.00 0.00 55.36 53.04 1u5i s GLN 419 Cb 0.44 -3.90 0.01 0.00 -0.22 0.00 0.00 33.01 29.33 1u5i s GLN 419 CO 0.08 -0.77 1.09 0.00 -0.25 0.00 0.00 175.29 175.44 1u5i h ARG 420 N 8.57 0.00 -3.50 2.91 2.47 -1.89 -3.47 114.38 119.47 1u5i h ARG 420 Ca -0.26 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.36 1u5i h ARG 420 Cb 1.11 0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 29.27 1u5i h ARG 420 CO 0.72 0.13 -0.34 0.21 0.56 0.00 0.00 179.97 181.25 1u5i s LYS 421 N -3.19 0.76 0.61 0.04 2.20 -1.26 -4.57 119.74 114.33 1u5i s LYS 421 Ca 0.00 -0.63 -0.19 0.00 -0.36 0.00 0.00 55.97 54.79 1u5i s LYS 421 Cb 0.09 0.32 -0.02 0.00 -1.51 0.00 0.00 37.83 36.70 1u5i s LYS 421 CO 0.78 -0.23 1.32 -1.64 -0.36 0.00 0.00 175.35 175.22 1u5i s MET 422 N -2.75 2.74 -1.53 4.03 -1.94 -0.02 -2.49 119.30 117.34 1u5i s MET 422 Ca -0.04 2.14 0.00 0.00 -1.71 0.00 0.00 55.69 56.08 1u5i s MET 422 Cb -0.00 -1.98 0.00 0.00 2.01 0.00 0.00 34.83 34.86 1u5i s MET 422 CO -0.05 -1.48 0.00 0.41 -0.01 0.00 0.00 175.02 173.90 1u5i n GLY 423 N 0.85 1.37 3.80 -0.03 0.00 -1.26 -4.48 105.19 105.44 1u5i n GLY 423 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1u5i n GLY 423 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u5i s GLU 424 N -3.17 2.90 -1.53 1.61 2.02 -1.04 -4.74 118.70 114.76 1u5i s GLU 424 Ca 0.00 -0.88 -0.12 0.00 0.02 0.00 0.00 54.97 53.99 1u5i s GLU 424 Cb 0.00 -2.64 0.08 0.00 0.10 0.00 0.00 34.13 31.67 1u5i s GLU 424 CO 0.00 0.48 0.87 -0.25 0.02 0.00 0.00 175.26 176.38 1u5i n ASP 425 N -0.41 -3.70 -4.35 -0.19 9.92 -1.26 -4.91 116.55 111.65 1u5i n ASP 425 Ca -0.08 -0.85 -0.46 0.00 -0.53 0.00 0.00 54.79 52.87 1u5i n ASP 425 Cb 0.55 -3.62 -0.01 0.00 -0.64 0.00 0.00 41.12 37.39 1u5i n ASP 425 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1u5i s MET 426 N -6.60 3.78 0.00 -1.24 1.75 -1.26 -5.00 119.30 110.73 1u5i s MET 426 Ca 0.54 -2.59 0.00 0.00 -1.25 0.00 0.00 55.69 52.39 1u5i s MET 426 Cb -0.28 -4.54 0.00 0.00 2.84 0.00 0.00 34.83 32.85 1u5i s MET 426 CO 0.85 -1.35 0.00 0.72 -0.65 0.00 0.00 175.02 174.59 1u5i n HIS 427 N 3.99 0.00 -3.27 4.11 8.25 -1.26 -4.66 115.22 122.38 1u5i n HIS 427 Ca 0.19 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.23 1u5i n HIS 427 Cb 0.45 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.48 1u5i n HIS 427 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1u5i s THR 428 N 0.00 5.03 0.39 1.59 2.01 -1.26 -4.32 115.64 119.07 1u5i s THR 428 Ca 0.00 0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.09 1u5i s THR 428 Cb 0.00 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 1u5i s THR 428 CO 0.00 -0.32 0.05 0.27 -0.69 0.00 0.00 174.62 173.93 1u5i s ILE 429 N 2.33 1.28 0.00 1.82 -4.36 -0.41 -0.66 121.20 121.20 1u5i s ILE 429 Ca 0.16 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.55 1u5i s ILE 429 Cb -0.16 -2.68 0.00 0.00 1.25 0.00 0.00 42.46 40.87 1u5i s ILE 429 CO 0.14 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.93 1u5i n GLY 430 N -0.88 0.69 3.53 6.27 0.00 -0.26 -1.59 105.19 112.95 1u5i n GLY 430 Ca -0.06 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 1u5i n GLY 430 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1u5i s PHE 431 N -2.00 0.71 0.12 1.61 -0.71 -1.26 -1.12 117.98 115.32 1u5i s PHE 431 Ca 0.00 -1.03 0.09 0.00 -1.04 0.00 0.00 56.93 54.95 1u5i s PHE 431 Cb 0.00 0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.82 1u5i s PHE 431 CO 0.00 -1.06 -0.21 0.20 -1.34 0.00 0.00 175.22 172.81 1u5i s GLY 432 N -3.13 1.31 0.12 1.99 0.00 -0.83 -3.86 107.32 102.93 1u5i s GLY 432 Ca 0.27 -1.31 0.10 0.00 0.00 0.00 0.00 44.72 43.77 1u5i s GLY 432 CO 0.14 -1.32 -0.22 -0.42 0.00 0.00 0.00 173.10 171.28 1u5i s ILE 433 N -1.26 2.56 -0.03 0.90 1.01 -1.26 -2.45 121.20 120.68 1u5i s ILE 433 Ca 0.09 -1.62 -0.05 0.00 0.00 0.00 0.00 60.65 59.07 1u5i s ILE 433 Cb -0.09 -2.16 0.01 0.00 0.01 0.00 0.00 42.46 40.23 1u5i s ILE 433 CO 0.05 0.10 0.11 -0.31 0.00 0.00 0.00 174.94 174.89 1u5i s TYR 434 N -1.10 -0.06 0.23 3.97 2.02 -0.90 -1.97 117.35 119.54 1u5i s TYR 434 Ca 0.16 0.15 -0.11 0.00 -0.37 0.00 0.00 57.07 56.89 1u5i s TYR 434 Cb -0.10 0.00 -0.07 0.00 -0.40 0.00 0.00 41.96 41.39 1u5i s TYR 434 CO 0.08 -0.13 0.58 -1.21 -1.57 0.00 0.00 175.55 173.30 1u5i s GLU 435 N -0.42 3.87 0.49 -0.62 2.02 -1.26 0.53 118.70 123.31 1u5i s GLU 435 Ca -0.05 0.38 -0.04 0.00 0.02 0.00 0.00 54.97 55.28 1u5i s GLU 435 Cb -0.03 -2.67 0.10 0.00 0.10 0.00 0.00 34.13 31.63 1u5i s GLU 435 CO 0.00 0.32 0.67 1.33 0.02 0.00 0.00 175.26 177.60 1u5i n VAL 436 N 0.01 0.00 -1.49 2.63 0.24 -1.13 -4.86 118.33 113.73 1u5i n VAL 436 Ca -0.00 -0.77 0.00 0.00 -2.04 0.00 0.00 64.34 61.53 1u5i n VAL 436 Cb 0.52 -1.36 0.00 0.00 -1.47 0.00 0.00 33.84 31.54 1u5i n VAL 436 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1u5i n SER 449 N -3.18 -8.09 -4.67 -1.34 2.88 -0.98 -5.12 113.62 93.11 1u5i n SER 449 Ca 0.10 1.15 -0.41 0.00 -1.33 0.00 0.00 58.87 58.38 1u5i n SER 449 Cb 0.34 -4.37 -0.04 0.00 -0.75 0.00 0.00 64.21 59.40 1u5i n SER 449 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1u5i s LYS 450 N -3.81 4.30 0.40 -1.46 2.36 -1.25 -3.72 119.74 116.56 1u5i s LYS 450 Ca 0.00 1.01 -0.27 0.00 -2.55 0.00 0.00 55.97 54.16 1u5i s LYS 450 Cb 0.00 -3.57 -0.10 0.00 -1.05 0.00 0.00 37.83 33.11 1u5i s LYS 450 CO 0.00 -0.31 1.45 -0.80 1.55 0.00 0.00 175.35 177.24 1u5i s ASN 451 N 1.14 6.22 0.88 1.43 -0.87 -1.26 -4.90 114.94 117.58 1u5i s ASN 451 Ca 0.38 2.96 -0.13 0.00 -1.57 0.00 0.00 52.86 54.50 1u5i s ASN 451 Cb -0.17 -2.66 0.14 0.00 -0.02 0.00 0.00 41.25 38.54 1u5i s ASN 451 CO 0.13 -0.95 1.24 0.72 -2.57 0.00 0.00 177.10 175.67 1u5i s PHE 452 N -1.16 2.22 0.19 2.20 -0.12 -1.26 -4.83 117.98 115.23 1u5i s PHE 452 Ca 0.55 0.48 0.05 0.00 -0.05 0.00 0.00 56.93 57.97 1u5i s PHE 452 Cb -0.45 -3.78 0.58 0.00 -0.63 0.00 0.00 43.02 38.74 1u5i s PHE 452 CO 0.60 -2.20 0.92 1.19 -0.05 0.00 0.00 175.22 175.68 1u5i n PHE 453 N -3.51 0.49 -1.37 3.49 3.72 -1.26 -3.80 117.46 115.23 1u5i n PHE 453 Ca 0.12 0.70 -0.23 0.00 -0.05 0.00 0.00 57.45 57.99 1u5i n PHE 453 Cb 0.60 -1.01 -0.11 0.00 -0.94 0.00 0.00 39.48 38.02 1u5i n PHE 453 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 176.76 178.18 1u5i n LEU 454 N -4.58 1.50 0.00 4.37 -0.00 -1.26 -4.97 117.00 112.05 1u5i n LEU 454 Ca 0.17 -2.34 0.00 0.00 -0.00 0.00 0.00 56.01 53.84 1u5i n LEU 454 Cb 0.57 -1.44 0.00 0.00 -0.00 0.00 0.00 43.42 42.54 1u5i n LEU 454 CO -0.03 -3.05 0.00 0.41 -0.00 0.00 0.00 177.39 174.73 1u5i n THR 455 N 8.44 0.00 0.00 1.47 -1.04 -1.25 -5.09 114.28 116.80 1u5i n THR 455 Ca 0.43 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.44 1u5i n THR 455 Cb 0.46 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.97 1u5i n THR 455 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1u5i n GLU 460 N 0.00 0.00 0.00 -2.82 1.02 -0.83 -5.17 120.64 112.84 1u5i n GLU 460 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1u5i n GLU 460 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1u5i n GLU 460 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1u5i n ARG 461 N 0.00 0.00 0.00 3.49 1.85 -1.26 -4.91 116.66 115.83 1u5i n ARG 461 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1u5i n ARG 461 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1u5i n ARG 461 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1u5i n SER 462 N 0.00 0.00 -0.52 2.89 2.88 -1.26 -4.86 113.62 112.76 1u5i n SER 462 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1u5i n SER 462 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1u5i n SER 462 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1u5i n ASP 463 N 0.90 -3.09 -3.20 -3.46 10.43 -1.25 -4.80 116.55 112.07 1u5i n ASP 463 Ca 0.00 0.05 -0.23 0.00 2.57 0.00 0.00 54.79 57.18 1u5i n ASP 463 Cb 0.00 -0.15 0.02 0.00 1.84 0.00 0.00 41.12 42.83 1u5i n ASP 463 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 1u5i n THR 464 N -1.09 -7.44 -3.95 -3.53 -2.24 -1.26 -4.59 114.28 90.18 1u5i n THR 464 Ca 0.00 0.43 -0.31 0.00 -2.27 0.00 0.00 64.05 61.91 1u5i n THR 464 Cb 0.02 -5.38 -0.15 0.00 -2.10 0.00 0.00 70.33 62.72 1u5i n THR 464 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1u5i s PHE 465 N -2.12 3.13 0.33 4.78 2.19 -1.26 -4.58 117.98 120.46 1u5i s PHE 465 Ca 0.29 -2.54 0.07 0.00 0.33 0.00 0.00 56.93 55.08 1u5i s PHE 465 Cb -0.05 -2.44 -0.02 0.00 -1.31 0.00 0.00 43.02 39.20 1u5i s PHE 465 CO 0.82 -0.91 0.35 0.42 1.83 0.00 0.00 175.22 177.74 1u5i s ILE 466 N 1.13 3.73 -0.89 3.12 -1.09 -0.62 -4.78 121.20 121.80 1u5i s ILE 466 Ca 0.07 -1.24 0.01 0.00 -2.23 0.00 0.00 60.65 57.26 1u5i s ILE 466 Cb -0.19 -3.27 0.31 0.00 -1.58 0.00 0.00 42.46 37.74 1u5i s ILE 466 CO -0.11 -0.17 1.42 -0.46 -1.23 0.00 0.00 174.94 174.38 1u5i n ASN 467 N -1.46 6.05 -4.95 3.58 6.94 -1.26 -1.28 115.26 122.87 1u5i n ASN 467 Ca -0.01 -3.60 -0.19 0.00 -0.02 0.00 0.00 54.58 50.76 1u5i n ASN 467 Cb 0.59 -0.98 -0.01 0.00 -2.36 0.00 0.00 39.78 37.02 1u5i n ASN 467 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1u5i s LEU 468 N -3.58 3.58 0.50 -4.53 1.43 -1.26 -4.81 118.68 110.00 1u5i s LEU 468 Ca 0.40 -0.52 0.20 0.00 -1.03 0.00 0.00 54.13 53.17 1u5i s LEU 468 Cb 0.18 -2.41 1.26 0.00 0.03 0.00 0.00 46.19 45.25 1u5i s LEU 468 CO -0.07 -0.66 2.07 0.08 0.23 0.00 0.00 176.35 178.00 1u5i h ARG 469 N 0.85 0.00 -4.46 1.70 0.11 -1.92 -3.43 114.38 107.23 1u5i h ARG 469 Ca -0.41 0.00 -0.36 0.00 0.10 0.00 0.00 59.98 59.31 1u5i h ARG 469 Cb 1.27 0.00 -0.29 0.00 1.11 0.00 0.00 29.97 32.06 1u5i h ARG 469 CO 0.51 0.12 -0.76 -2.00 0.10 0.00 0.00 179.97 177.93 1u5i s GLU 470 N -4.60 0.56 0.07 0.08 2.12 -1.26 -0.73 118.70 114.95 1u5i s GLU 470 Ca -0.04 -0.24 0.09 0.00 0.36 0.00 0.00 54.97 55.14 1u5i s GLU 470 Cb 0.15 -0.55 -0.03 0.00 0.26 0.00 0.00 34.13 33.96 1u5i s GLU 470 CO 0.65 0.14 -0.24 0.14 -0.54 0.00 0.00 175.26 175.40 1u5i s VAL 471 N -0.11 1.97 0.03 3.70 -7.23 -0.69 -4.98 120.40 113.09 1u5i s VAL 471 Ca 0.02 -1.44 -0.19 0.00 -1.81 0.00 0.00 61.98 58.56 1u5i s VAL 471 Cb -0.03 -1.72 0.04 0.00 0.56 0.00 0.00 36.38 35.23 1u5i s VAL 471 CO -0.00 0.20 0.43 -0.22 -0.31 0.00 0.00 175.10 175.20 1u5i s LEU 472 N -1.49 0.33 -0.15 1.32 1.98 -1.26 -1.98 118.68 117.43 1u5i s LEU 472 Ca 0.10 0.08 -0.12 0.00 -2.89 0.00 0.00 54.13 51.30 1u5i s LEU 472 Cb -0.10 1.78 0.04 0.00 0.66 0.00 0.00 46.19 48.58 1u5i s LEU 472 CO 0.03 -0.64 0.38 0.20 -1.89 0.00 0.00 176.35 174.43 1u5i s ASN 473 N -1.85 -0.41 -0.19 3.68 0.01 -1.14 -5.00 114.94 110.04 1u5i s ASN 473 Ca -0.07 0.78 -0.11 0.00 -0.71 0.00 0.00 52.86 52.75 1u5i s ASN 473 Cb -0.01 0.76 -0.05 0.00 0.41 0.00 0.00 41.25 42.36 1u5i s ASN 473 CO -0.00 -0.14 0.17 -0.60 -1.51 0.00 0.00 177.10 175.02 1u5i s ARG 474 N 0.43 4.19 0.33 -0.60 3.52 -1.26 -2.19 118.95 123.37 1u5i s ARG 474 Ca -0.02 -0.13 0.10 0.00 -0.13 0.00 0.00 55.73 55.54 1u5i s ARG 474 Cb -0.04 -3.42 -0.06 0.00 -1.56 0.00 0.00 34.95 29.88 1u5i s ARG 474 CO -0.02 0.30 -0.05 -0.06 -0.81 0.00 0.00 175.30 174.65 1u5i s PHE 475 N 0.35 2.47 -0.21 5.12 0.40 -0.38 -4.99 117.98 120.74 1u5i s PHE 475 Ca 0.10 -0.44 -0.04 0.00 -0.60 0.00 0.00 56.93 55.96 1u5i s PHE 475 Cb -0.12 -1.38 0.11 0.00 0.51 0.00 0.00 43.02 42.14 1u5i s PHE 475 CO -0.00 0.55 0.30 0.21 0.70 0.00 0.00 175.22 176.98 1u5i s LYS 476 N -3.65 0.26 0.07 0.44 2.20 -1.26 -1.37 119.74 116.43 1u5i s LYS 476 Ca 0.33 0.46 0.00 0.00 -0.36 0.00 0.00 55.97 56.40 1u5i s LYS 476 Cb 0.00 -0.67 -0.04 0.00 -1.51 0.00 0.00 37.83 35.61 1u5i s LYS 476 CO 0.18 -0.58 -0.05 -0.51 -0.36 0.00 0.00 175.35 174.03 1u5i s LEU 477 N 2.45 2.46 0.72 5.43 1.43 -1.09 -4.74 118.68 125.33 1u5i s LEU 477 Ca 0.08 -0.93 -0.16 0.00 -1.03 0.00 0.00 54.13 52.10 1u5i s LEU 477 Cb -0.15 0.06 0.03 0.00 0.03 0.00 0.00 46.19 46.16 1u5i s LEU 477 CO -0.13 -0.49 1.24 -2.84 0.23 0.00 0.00 176.35 174.36 1u5i s PRO 478 N -3.52 2.16 0.63 1.29 0.02 -0.33 -0.63 135.00 134.63 1u5i s PRO 478 Ca 0.06 1.89 -0.17 0.00 0.02 0.00 0.00 61.00 62.79 1u5i s PRO 478 Cb 0.04 -1.82 -0.06 0.00 0.02 0.00 0.00 34.50 32.68 1u5i s PRO 478 CO -0.06 -1.85 0.59 -0.35 -0.33 0.00 0.00 177.00 174.99 1u5i n PRO 479 N -2.54 0.49 0.00 5.54 -0.04 -1.24 -4.75 135.00 132.47 1u5i n PRO 479 Ca 0.14 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 1u5i n PRO 479 Cb 0.49 -1.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 1u5i n PRO 479 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1u5i n GLY 480 N 1.67 0.83 3.61 0.55 0.00 -1.25 -5.00 105.19 105.60 1u5i n GLY 480 Ca 0.11 -2.03 -0.34 0.00 0.00 0.00 0.00 46.02 43.76 1u5i n GLY 480 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u5i s GLU 481 N -1.29 3.34 0.11 1.61 2.02 -1.26 -1.64 118.70 121.59 1u5i s GLU 481 Ca 0.00 -0.44 0.07 0.00 0.02 0.00 0.00 54.97 54.62 1u5i s GLU 481 Cb 0.00 -2.88 -0.04 0.00 0.10 0.00 0.00 34.13 31.31 1u5i s GLU 481 CO 0.00 0.49 -0.17 0.71 0.02 0.00 0.00 175.26 176.31 1u5i s TYR 482 N -0.30 1.56 -0.26 1.61 2.02 0.25 -2.85 117.35 119.38 1u5i s TYR 482 Ca 0.06 -0.48 -0.08 0.00 -0.37 0.00 0.00 57.07 56.20 1u5i s TYR 482 Cb -0.12 -0.83 -0.03 0.00 -0.40 0.00 0.00 41.96 40.57 1u5i s TYR 482 CO 0.02 0.18 0.11 0.08 -1.57 0.00 0.00 175.55 174.37 1u5i s VAL 483 N -1.65 4.57 -0.15 0.71 1.01 0.19 -0.90 120.40 124.18 1u5i s VAL 483 Ca 0.07 -0.11 -0.13 0.00 0.00 0.00 0.00 61.98 61.82 1u5i s VAL 483 Cb -0.08 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 1u5i s VAL 483 CO 0.04 0.30 0.27 -0.22 0.00 0.00 0.00 175.10 175.48 1u5i s LEU 484 N 1.65 4.27 -0.27 3.92 1.98 0.15 -2.12 118.68 128.26 1u5i s LEU 484 Ca 0.06 0.51 0.02 0.00 -2.89 0.00 0.00 54.13 51.83 1u5i s LEU 484 Cb -0.15 -2.33 0.07 0.00 0.66 0.00 0.00 46.19 44.44 1u5i s LEU 484 CO 0.06 0.16 -0.03 -0.69 -1.89 0.00 0.00 176.35 173.95 1u5i s VAL 485 N 0.18 1.83 0.09 1.68 1.01 -1.02 -0.08 120.40 124.09 1u5i s VAL 485 Ca 0.16 -1.61 -0.04 0.00 0.00 0.00 0.00 61.98 60.49 1u5i s VAL 485 Cb -0.13 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 1u5i s VAL 485 CO 0.04 -0.24 0.31 -2.16 0.00 0.00 0.00 175.10 173.05 1u5i s PRO 486 N 1.22 3.56 0.31 2.72 0.04 -1.26 -1.97 135.00 139.61 1u5i s PRO 486 Ca -0.02 -0.18 -0.19 0.00 0.04 0.00 0.00 61.00 60.65 1u5i s PRO 486 Cb -0.19 -2.95 0.05 0.00 0.04 0.00 0.00 34.50 31.44 1u5i s PRO 486 CO -0.08 0.55 0.81 -1.54 0.04 0.00 0.00 177.00 176.78 1u5i s SER 487 N -2.29 -0.10 0.61 6.66 1.04 -0.28 -4.59 113.70 114.75 1u5i s SER 487 Ca 0.36 -0.84 -0.05 0.00 0.48 0.00 0.00 55.95 55.90 1u5i s SER 487 Cb -0.13 0.74 0.03 0.00 0.10 0.00 0.00 66.02 66.76 1u5i s SER 487 CO 0.24 -1.42 0.90 -0.89 0.98 0.00 0.00 173.24 173.05 1u5i s THR 488 N -2.92 3.12 -0.04 2.02 2.01 -1.26 -1.10 115.64 117.47 1u5i s THR 488 Ca 0.14 -0.21 -0.19 0.00 0.31 0.00 0.00 61.69 61.75 1u5i s THR 488 Cb -0.05 -3.26 -0.12 0.00 0.01 0.00 0.00 72.50 69.08 1u5i s THR 488 CO 0.08 -0.25 0.78 0.15 -0.69 0.00 0.00 174.62 174.70 1u5i h PHE 489 N -0.23 -0.35 -3.28 4.92 3.04 -1.10 -3.20 116.94 116.74 1u5i h PHE 489 Ca -0.45 -0.01 -0.56 0.00 3.98 0.00 0.00 57.97 60.93 1u5i h PHE 489 Cb 1.28 0.12 -0.04 0.00 2.56 0.00 0.00 35.95 39.87 1u5i h PHE 489 CO 0.41 -0.03 -0.20 -1.21 -2.02 0.00 0.00 178.31 175.26 1u5i s GLU 490 N -3.45 3.75 0.74 1.11 2.02 -1.26 -3.85 118.70 117.75 1u5i s GLU 490 Ca -0.11 0.15 -0.11 0.00 0.02 0.00 0.00 54.97 54.93 1u5i s GLU 490 Cb 0.01 -2.80 0.03 0.00 0.10 0.00 0.00 34.13 31.47 1u5i s GLU 490 CO 0.37 0.43 1.08 -1.25 0.02 0.00 0.00 175.26 175.91 1u5i s PRO 491 N -2.53 2.59 0.00 0.39 0.04 -1.00 -4.39 135.00 130.11 1u5i s PRO 491 Ca 0.42 0.73 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1u5i s PRO 491 Cb -0.12 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1u5i s PRO 491 CO 0.22 -1.28 0.00 0.72 0.04 0.00 0.00 177.00 176.69 1u5i n HIS 492 N -3.22 0.00 -4.61 0.56 8.25 -0.99 -4.96 115.22 110.25 1u5i n HIS 492 Ca 0.07 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.20 1u5i n HIS 492 Cb 0.55 -0.23 -0.16 0.00 1.12 0.00 0.00 29.99 31.27 1u5i n HIS 492 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1u5i s LYS 493 N -0.99 3.10 0.25 -0.41 1.02 -1.26 -4.66 119.74 116.78 1u5i s LYS 493 Ca 0.00 -0.81 -0.30 0.00 0.02 0.00 0.00 55.97 54.88 1u5i s LYS 493 Cb 0.00 -2.51 -0.10 0.00 -0.52 0.00 0.00 37.83 34.70 1u5i s LYS 493 CO 0.00 -0.00 1.46 -0.80 -0.92 0.00 0.00 175.35 175.09 1u5i s ASN 494 N 0.82 6.63 -0.10 2.83 0.02 -1.26 -4.42 114.94 119.45 1u5i s ASN 494 Ca -0.06 2.69 -0.32 0.00 -1.02 0.00 0.00 52.86 54.14 1u5i s ASN 494 Cb -0.15 -2.62 0.12 0.00 0.02 0.00 0.00 41.25 38.62 1u5i s ASN 494 CO -0.01 -0.73 1.10 -0.83 0.02 0.00 0.00 177.10 176.65 1u5i s GLY 495 N 0.42 -0.36 0.32 0.66 0.00 -0.71 -4.98 107.32 102.67 1u5i s GLY 495 Ca 0.60 1.28 0.10 0.00 0.00 0.00 0.00 44.72 46.71 1u5i s GLY 495 CO 0.43 0.42 -0.09 0.99 0.00 0.00 0.00 173.10 174.84 1u5i s ASP 496 N -2.36 3.86 0.11 1.64 1.11 -1.26 -0.48 116.67 119.28 1u5i s ASP 496 Ca 0.08 -1.06 -0.25 0.00 0.18 0.00 0.00 52.55 51.49 1u5i s ASP 496 Cb -0.01 -0.41 0.07 0.00 1.07 0.00 0.00 42.92 43.64 1u5i s ASP 496 CO -0.06 -0.13 0.82 0.72 1.18 0.00 0.00 175.17 177.70 1u5i s PHE 497 N -2.54 -0.31 -0.04 4.23 -0.71 -0.18 -0.79 117.98 117.64 1u5i s PHE 497 Ca 0.32 0.07 0.02 0.00 -1.04 0.00 0.00 56.93 56.30 1u5i s PHE 497 Cb -0.01 0.59 0.01 0.00 -1.21 0.00 0.00 43.02 42.41 1u5i s PHE 497 CO 0.17 -0.78 -0.06 0.00 -1.34 0.00 0.00 175.22 173.21 1u5i s ILE 499 N 0.61 1.99 0.06 0.00 1.01 -0.38 -0.36 121.20 124.13 1u5i s ILE 499 Ca -0.09 -0.95 0.07 0.00 0.00 0.00 0.00 60.65 59.69 1u5i s ILE 499 Cb -0.12 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 1u5i s ILE 499 CO 0.00 0.54 -0.17 -0.13 0.00 0.00 0.00 174.94 175.18 1u5i s ARG 500 N 0.65 2.00 -0.09 2.79 0.52 0.22 -0.99 118.95 124.06 1u5i s ARG 500 Ca -0.12 -1.03 0.02 0.00 -0.52 0.00 0.00 55.73 54.08 1u5i s ARG 500 Cb -0.16 -2.18 0.01 0.00 0.52 0.00 0.00 34.95 33.14 1u5i s ARG 500 CO 0.02 0.52 -0.14 0.08 0.02 0.00 0.00 175.30 175.80 1u5i s VAL 501 N -1.01 1.39 -0.05 3.52 1.01 0.98 -1.49 120.40 124.75 1u5i s VAL 501 Ca 0.16 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1u5i s VAL 501 Cb -0.11 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 1u5i s VAL 501 CO 0.07 0.42 -0.13 -0.36 0.00 0.00 0.00 175.10 175.10 1u5i s PHE 502 N 0.86 2.74 -0.06 5.22 0.08 -0.68 0.50 117.98 126.63 1u5i s PHE 502 Ca -0.10 -0.13 -0.16 0.00 0.12 0.00 0.00 56.93 56.66 1u5i s PHE 502 Cb -0.15 -1.64 0.03 0.00 -0.57 0.00 0.00 43.02 40.69 1u5i s PHE 502 CO 0.01 0.21 0.37 -1.54 -0.10 0.00 0.00 175.22 174.17 1u5i s SER 503 N -0.74 -0.30 0.14 1.36 1.04 0.35 0.10 113.70 115.64 1u5i s SER 503 Ca 0.12 0.35 -0.26 0.00 0.48 0.00 0.00 55.95 56.63 1u5i s SER 503 Cb -0.11 0.48 -0.06 0.00 0.10 0.00 0.00 66.02 66.43 1u5i s SER 503 CO 0.01 -0.38 1.40 -0.62 0.98 0.00 0.00 173.24 174.63 1u5i n GLU 504 N 1.68 -0.37 -4.00 4.02 -0.58 -0.68 -0.92 120.64 119.78 1u5i n GLU 504 Ca -0.19 1.38 -0.23 0.00 -0.42 0.00 0.00 57.16 57.70 1u5i n GLU 504 Cb 0.56 -2.02 -0.06 0.00 -0.57 0.00 0.00 31.44 29.35 1u5i n GLU 504 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1u5i s LYS 505 N -5.23 2.40 -0.28 3.49 3.01 -1.26 -4.59 119.74 117.29 1u5i s LYS 505 Ca -0.10 -1.58 -0.40 0.00 -1.01 0.00 0.00 55.97 52.88 1u5i s LYS 505 Cb 0.09 -2.19 -0.15 0.00 -1.01 0.00 0.00 37.83 34.57 1u5i s LYS 505 CO 0.53 0.02 1.76 1.63 0.51 0.00 0.00 175.35 179.80 1u5i n LYS 506 N -1.25 1.20 -4.38 1.68 4.76 -1.26 -4.78 118.16 114.13 1u5i n LYS 506 Ca -0.02 0.44 -0.25 0.00 -2.87 0.00 0.00 58.31 55.62 1u5i n LYS 506 Cb 0.62 -2.13 -0.09 0.00 -1.84 0.00 0.00 35.03 31.58 1u5i n LYS 506 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u5i s ALA 507 N 3.65 3.14 0.15 7.82 0.00 -1.26 -4.04 121.76 131.22 1u5i s ALA 507 Ca 0.98 -1.99 0.10 0.00 0.00 0.00 0.00 51.96 51.06 1u5i s ALA 507 Cb -1.05 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 1u5i s ALA 507 CO 0.65 0.08 -0.24 0.34 0.00 0.00 0.00 175.76 176.59 1u5i s ASP 508 N -3.69 3.13 0.03 0.00 3.68 -0.20 -4.97 116.67 114.65 1u5i s ASP 508 Ca 0.34 -0.78 0.02 0.00 2.13 0.00 0.00 52.55 54.26 1u5i s ASP 508 Cb 0.00 -0.21 -0.02 0.00 -1.45 0.00 0.00 42.92 41.25 1u5i s ASP 508 CO 0.19 0.12 -0.08 -0.47 0.13 0.00 0.00 175.17 175.05 1u5i s TYR 509 N -1.36 0.69 -0.01 -5.34 5.04 -1.26 -1.87 117.35 113.23 1u5i s TYR 509 Ca 0.15 -0.33 -0.24 0.00 -2.44 0.00 0.00 57.07 54.21 1u5i s TYR 509 Cb -0.09 -0.42 0.05 0.00 0.35 0.00 0.00 41.96 41.85 1u5i s TYR 509 CO 0.07 -0.04 0.52 -1.14 -1.34 0.00 0.00 175.55 173.62 1u5i s GLN 510 N -1.00 0.93 0.20 4.97 0.74 -0.42 -5.00 119.66 120.09 1u5i s GLN 510 Ca -0.04 -0.02 -0.30 0.00 0.05 0.00 0.00 55.36 55.06 1u5i s GLN 510 Cb -0.07 0.43 -0.08 0.00 1.10 0.00 0.00 33.01 34.39 1u5i s GLN 510 CO 0.00 -0.29 1.08 -0.08 -0.55 0.00 0.00 175.29 175.45 1u5i s THR 511 N -1.57 3.83 -0.19 -0.34 -1.32 -1.26 -0.83 115.64 113.95 1u5i s THR 511 Ca -0.10 1.65 0.01 0.00 -1.21 0.00 0.00 61.69 62.03 1u5i s THR 511 Cb -0.02 -4.05 0.04 0.00 -1.51 0.00 0.00 72.50 66.96 1u5i s THR 511 CO 0.05 0.32 -0.12 0.54 -2.21 0.00 0.00 174.62 173.19 1u5i s VAL 512 N -0.51 1.73 0.37 5.08 0.11 -1.04 -4.80 120.40 121.33 1u5i s VAL 512 Ca 0.47 -0.98 -0.16 0.00 -2.93 0.00 0.00 61.98 58.38 1u5i s VAL 512 Cb -0.29 -1.74 0.05 0.00 -1.53 0.00 0.00 36.38 32.87 1u5i s VAL 512 CO 0.36 0.26 0.77 -0.62 -3.33 0.00 0.00 175.10 172.54 1u5i s ASP 513 N 1.37 -0.03 0.13 3.54 3.68 -1.24 -4.09 116.67 120.03 1u5i s ASP 513 Ca 0.00 -1.06 -0.30 0.00 2.13 0.00 0.00 52.55 53.32 1u5i s ASP 513 Cb -0.15 0.83 -0.06 0.00 -1.45 0.00 0.00 42.92 42.08 1u5i s ASP 513 CO -0.09 -1.62 1.04 -1.81 0.13 0.00 0.00 175.17 172.82 1u5i s ASP 514 N -3.05 7.35 0.62 -0.34 -0.00 -1.26 -2.33 116.67 117.67 1u5i s ASP 514 Ca 0.15 1.93 -0.18 0.00 -0.00 0.00 0.00 52.55 54.45 1u5i s ASP 514 Cb -0.05 -2.59 -0.02 0.00 -0.00 0.00 0.00 42.92 40.26 1u5i s ASP 514 CO 0.11 -0.18 1.18 -1.61 -0.00 0.00 0.00 175.17 174.66 1u5i s GLU 515 N 0.02 2.85 0.07 8.23 0.41 -1.26 -2.87 118.70 126.15 1u5i s GLU 515 Ca 0.49 1.71 -0.28 0.00 -0.41 0.00 0.00 54.97 56.48 1u5i s GLU 515 Cb -0.26 -1.93 -0.05 0.00 -1.78 0.00 0.00 34.13 30.11 1u5i s GLU 515 CO 0.32 -1.27 0.89 0.42 -0.49 0.00 0.00 175.26 175.13 1u5i s ILE 516 N -1.81 4.65 -0.29 -1.63 1.01 -1.25 -4.18 121.20 117.70 1u5i s ILE 516 Ca 0.74 1.90 -0.09 0.00 0.00 0.00 0.00 60.65 63.20 1u5i s ILE 516 Cb -0.27 -4.24 0.13 0.00 0.01 0.00 0.00 42.46 38.08 1u5i s ILE 516 CO 0.36 0.31 0.61 -0.70 0.00 0.00 0.00 174.94 175.52 1u5i s GLU 517 N 0.17 0.54 -0.67 2.79 2.12 -0.30 -5.01 118.70 118.33 1u5i s GLU 517 Ca 0.45 1.37 -0.02 0.00 0.36 0.00 0.00 54.97 57.12 1u5i s GLU 517 Cb -0.22 0.78 0.17 0.00 0.26 0.00 0.00 34.13 35.12 1u5i s GLU 517 CO 0.27 -0.23 0.49 0.00 -0.54 0.00 0.00 175.26 175.25 1u5i s ALA 518 N 2.86 3.69 -0.62 6.30 0.00 -1.26 -0.56 121.76 132.17 1u5i s ALA 518 Ca -0.04 -3.38 -0.12 0.00 0.00 0.00 0.00 51.96 48.41 1u5i s ALA 518 Cb -0.12 -2.68 0.16 0.00 0.00 0.00 0.00 23.12 20.48 1u5i s ALA 518 CO -0.18 -2.12 0.54 1.21 0.00 0.00 0.00 175.76 175.21 1u5i s ASN 519 N 0.47 6.15 -0.12 0.00 3.84 0.41 -4.97 114.94 120.72 1u5i s ASN 519 Ca 0.19 -2.22 0.00 0.00 0.21 0.00 0.00 52.86 51.04 1u5i s ASN 519 Cb -0.18 -2.12 -0.02 0.00 -0.55 0.00 0.00 41.25 38.38 1u5i s ASN 519 CO -0.05 -0.68 -0.13 -0.63 -2.79 0.00 0.00 177.10 172.83 1u5i s ILE 520 N 0.91 3.10 0.08 -5.21 1.01 -1.26 -4.41 121.20 115.42 1u5i s ILE 520 Ca 0.10 -0.65 -0.31 0.00 0.00 0.00 0.00 60.65 59.79 1u5i s ILE 520 Cb -0.22 -2.29 -0.09 0.00 0.01 0.00 0.00 42.46 39.87 1u5i s ILE 520 CO -0.02 0.53 1.70 -1.83 0.00 0.00 0.00 174.94 175.31 1u5i s GLU 521 N 0.21 4.18 -1.17 2.79 1.03 -1.26 -4.81 118.70 119.67 1u5i s GLU 521 Ca -0.08 2.39 -0.20 0.00 0.03 0.00 0.00 54.97 57.12 1u5i s GLU 521 Cb -0.15 -3.61 0.07 0.00 -0.80 0.00 0.00 34.13 29.64 1u5i s GLU 521 CO 0.05 -0.76 1.58 -1.21 -1.33 0.00 0.00 175.26 173.59 1u5i s GLU 522 N 2.70 3.83 -0.29 -4.83 0.41 -1.26 -5.06 118.70 114.21 1u5i s GLU 522 Ca 0.76 -1.71 -0.26 0.00 -0.41 0.00 0.00 54.97 53.34 1u5i s GLU 522 Cb -0.41 -5.41 0.01 0.00 -1.78 0.00 0.00 34.13 26.53 1u5i s GLU 522 CO 0.33 -2.18 0.93 0.96 -0.49 0.00 0.00 175.26 174.81 1u5i s ILE 523 N 4.24 4.69 0.00 -1.63 -5.25 -1.26 -4.94 121.20 117.05 1u5i s ILE 523 Ca 0.49 1.55 0.00 0.00 -0.99 0.00 0.00 60.65 61.71 1u5i s ILE 523 Cb 0.02 -4.26 0.00 0.00 2.95 0.00 0.00 42.46 41.17 1u5i s ILE 523 CO 0.00 -0.29 0.00 0.00 -1.79 0.00 0.00 174.94 172.86 1u5i n ALA 525 N 6.41 0.00 0.00 2.27 0.00 -1.26 -5.02 120.51 122.91 1u5i n ALA 525 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1u5i n ALA 525 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1u5i n ALA 525 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1u5i n ASN 526 N 0.00 0.00 0.00 0.00 5.03 -1.26 -4.99 115.26 114.04 1u5i n ASN 526 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1u5i n ASN 526 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1u5i n ASN 526 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1u5i n GLU 527 N -1.73 0.00 0.00 3.52 -0.58 -1.26 -4.61 120.64 115.99 1u5i n GLU 527 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1u5i n GLU 527 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1u5i n GLU 527 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1u5i n GLU 528 N -0.04 0.00 0.00 3.49 -0.58 -1.26 -4.59 120.64 117.66 1u5i n GLU 528 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1u5i n GLU 528 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1u5i n GLU 528 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1u5i n ASP 529 N 0.00 0.00 -2.40 1.62 5.68 -1.26 -4.96 116.55 115.22 1u5i n ASP 529 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.27 1u5i n ASP 529 Cb 0.00 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 1u5i n ASP 529 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 1u5i n ILE 530 N 0.00-13.09 0.00 2.12 5.41 -1.26 -4.85 119.36 107.69 1u5i n ILE 530 Ca 0.00 2.99 0.00 0.00 1.00 0.00 0.00 62.75 66.74 1u5i n ILE 530 Cb 0.00 -6.20 0.00 0.00 -0.71 0.00 0.00 39.64 32.73 1u5i n ILE 530 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1u5i n GLY 531 N 1.75 0.00 0.31 7.39 0.00 -1.26 -4.40 105.19 108.98 1u5i n GLY 531 Ca -0.14 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.04 1u5i n GLY 531 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1u5i h ASP 532 N 0.00 0.00 0.50 1.61 3.58 -2.00 -1.36 116.42 118.75 1u5i h ASP 532 Ca 0.00 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.24 1u5i h ASP 532 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1u5i h ASP 532 CO 0.00 0.00 -0.92 1.23 -2.88 0.00 0.00 179.24 176.67 1u5i h GLY 533 N 0.00 0.30 0.00 -0.78 0.00 -2.01 -2.23 103.07 98.35 1u5i h GLY 533 Ca 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1u5i h GLY 533 CO -0.00 0.48 0.00 0.33 0.00 0.00 0.00 176.54 177.35 1u5i n PHE 534 N -3.68 0.00 0.00 5.60 7.35 -0.73 -1.92 117.46 124.09 1u5i n PHE 534 Ca -0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 1u5i n PHE 534 Cb 0.83 -0.20 0.00 0.00 0.35 0.00 0.00 39.48 40.46 1u5i n PHE 534 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1u5i n ARG 535 N -1.24 0.00 -0.15 -4.13 5.12 -0.59 0.01 116.66 115.68 1u5i n ARG 535 Ca 0.00 0.47 -0.04 0.00 -1.93 0.00 0.00 57.85 56.35 1u5i n ARG 535 Cb 0.00 -0.74 0.02 0.00 -1.16 0.00 0.00 32.46 30.58 1u5i n ARG 535 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1u5i h ARG 536 N 0.00 -0.10 -0.95 5.56 2.47 -1.46 -1.84 114.38 118.08 1u5i h ARG 536 Ca 0.00 0.01 0.13 0.00 -1.26 0.00 0.00 59.98 58.86 1u5i h ARG 536 Cb 0.00 0.02 -0.14 0.00 -1.65 0.00 0.00 29.97 28.20 1u5i h ARG 536 CO 0.00 -0.06 -0.41 -0.11 0.56 0.00 0.00 179.97 179.94 1u5i n LEU 537 N -5.40 -0.71 0.20 3.04 7.94 0.10 -0.50 117.00 121.67 1u5i n LEU 537 Ca 0.04 1.66 0.04 0.00 -1.11 0.00 0.00 56.01 56.63 1u5i n LEU 537 Cb 0.31 -0.34 0.43 0.00 0.53 0.00 0.00 43.42 44.35 1u5i n LEU 537 CO 0.08 -1.45 0.82 0.15 -1.11 0.00 0.00 177.39 175.88 1u5i h PHE 538 N 0.00 0.03 -0.00 1.96 3.57 -0.44 -2.08 116.94 119.97 1u5i h PHE 538 Ca 0.29 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.78 1u5i h PHE 538 Cb 0.52 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1u5i h PHE 538 CO -0.86 0.28 -0.01 0.00 -2.23 0.00 0.00 178.31 175.49 1u5i h ALA 539 N 1.72 0.01 0.00 2.41 0.00 -1.01 1.66 119.26 124.05 1u5i h ALA 539 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1u5i h ALA 539 Cb 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1u5i h ALA 539 CO 0.03 -0.20 0.00 0.94 0.00 0.00 0.00 179.25 180.02 1u5i n GLN 540 N -4.80 0.18 -0.09 0.00 0.00 0.35 -2.10 117.38 110.92 1u5i n GLN 540 Ca -0.09 0.52 -0.15 0.00 -0.00 0.00 0.00 57.00 57.28 1u5i n GLN 540 Cb 0.29 -1.93 -0.14 0.00 0.00 0.00 0.00 30.24 28.47 1u5i n GLN 540 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1u5i n LEU 541 N -2.29 1.71 -0.25 1.69 7.99 -0.78 -4.70 117.00 120.37 1u5i n LEU 541 Ca 0.01 0.00 -0.04 0.00 -0.01 0.00 0.00 56.01 55.97 1u5i n LEU 541 Cb 0.16 -0.34 0.07 0.00 -0.11 0.00 0.00 43.42 43.20 1u5i n LEU 541 CO 0.16 0.73 1.14 0.00 -1.51 0.00 0.00 177.39 177.91 1u5i h ALA 542 N 0.45 0.90 0.00 -1.18 0.00 0.30 -3.48 119.26 116.25 1u5i h ALA 542 Ca -0.52 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1u5i h ALA 542 Cb 2.05 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1u5i h ALA 542 CO -0.01 0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.87 1u5i n GLY 543 N -1.29 0.22 0.33 0.00 0.00 -1.02 -4.31 105.19 99.11 1u5i n GLY 543 Ca 0.07 -1.20 0.18 0.00 0.00 0.00 0.00 46.02 45.08 1u5i n GLY 543 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1u5i h GLU 544 N 0.00 0.00 0.00 1.61 4.39 -1.93 -2.72 114.58 115.92 1u5i h GLU 544 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1u5i h GLU 544 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1u5i h GLU 544 CO 0.00 0.00 -1.75 -0.40 -1.16 0.00 0.00 179.01 175.70 1u5i n ASP 545 N -3.44 0.84 -0.80 1.42 3.85 -1.26 -5.01 116.55 112.16 1u5i n ASP 545 Ca -0.02 -0.08 -0.07 0.00 -0.71 0.00 0.00 54.79 53.92 1u5i n ASP 545 Cb 0.19 1.76 -0.00 0.00 -1.35 0.00 0.00 41.12 41.72 1u5i n ASP 545 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1u5i n ALA 546 N -2.07 -0.21 -3.17 2.12 0.00 -1.03 -5.04 120.51 111.11 1u5i n ALA 546 Ca -0.03 0.06 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 1u5i n ALA 546 Cb 0.46 -1.08 -0.15 0.00 0.00 0.00 0.00 19.45 18.68 1u5i n ALA 546 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1u5i s GLU 547 N -4.36 0.02 -0.06 0.00 2.02 -1.26 -4.07 118.70 110.99 1u5i s GLU 547 Ca 0.00 0.05 -0.01 0.00 0.02 0.00 0.00 54.97 55.04 1u5i s GLU 547 Cb -0.00 -0.11 -0.03 0.00 0.10 0.00 0.00 34.13 34.08 1u5i s GLU 547 CO 0.00 -0.05 0.01 0.96 0.02 0.00 0.00 175.26 176.21 1u5i s ILE 548 N 0.36 4.34 0.80 -1.63 -4.36 -0.90 -4.70 121.20 115.11 1u5i s ILE 548 Ca -0.03 -0.35 -0.10 0.00 -0.26 0.00 0.00 60.65 59.91 1u5i s ILE 548 Cb -0.05 -2.87 0.10 0.00 1.25 0.00 0.00 42.46 40.89 1u5i s ILE 548 CO -0.01 0.52 1.14 -0.94 0.24 0.00 0.00 174.94 175.89 1u5i s SER 549 N -1.16 4.32 0.52 4.36 1.04 -1.26 -1.59 113.70 119.93 1u5i s SER 549 Ca 0.16 0.49 0.24 0.00 0.48 0.00 0.00 55.95 57.32 1u5i s SER 549 Cb -0.11 -0.94 1.37 0.00 0.10 0.00 0.00 66.02 66.44 1u5i s SER 549 CO 0.06 -1.97 2.00 0.00 0.98 0.00 0.00 173.24 174.31 1u5i h ALA 550 N -0.98 2.46 0.16 5.32 0.00 -1.89 0.81 119.26 125.14 1u5i h ALA 550 Ca -0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1u5i h ALA 550 Cb 1.30 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1u5i h ALA 550 CO 0.57 -0.61 -0.08 0.74 0.00 0.00 0.00 179.25 179.87 1u5i h PHE 551 N 0.03 -0.20 -0.90 0.00 0.04 -1.93 0.58 116.94 114.56 1u5i h PHE 551 Ca 0.25 -0.00 0.10 0.00 2.80 0.00 0.00 57.97 61.12 1u5i h PHE 551 Cb 0.97 0.07 -0.12 0.00 2.20 0.00 0.00 35.95 39.06 1u5i h PHE 551 CO -0.00 -0.13 -0.46 0.39 -0.60 0.00 0.00 178.31 177.52 1u5i n GLU 552 N -4.32 -0.32 -0.15 1.51 1.02 -1.20 0.71 120.64 117.90 1u5i n GLU 552 Ca -0.03 1.36 -0.03 0.00 -0.02 0.00 0.00 57.16 58.45 1u5i n GLU 552 Cb 0.09 -2.01 0.05 0.00 -0.02 0.00 0.00 31.44 29.55 1u5i n GLU 552 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1u5i h LEU 553 N 0.00 -0.21 -0.33 -4.62 5.85 -0.91 -2.54 115.31 112.55 1u5i h LEU 553 Ca 0.21 0.11 0.03 0.00 0.84 0.00 0.00 57.88 59.08 1u5i h LEU 553 Cb 0.44 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 1u5i h LEU 553 CO -0.86 -0.07 -0.22 -0.61 -0.34 0.00 0.00 178.44 176.34 1u5i h GLN 554 N 0.11 -0.03 -0.37 1.25 -0.00 0.59 -0.90 115.11 115.76 1u5i h GLN 554 Ca 0.24 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.82 1u5i h GLN 554 Cb 0.36 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.83 1u5i h GLN 554 CO -0.40 -0.02 -0.06 0.00 0.00 0.00 0.00 178.83 178.35 1u5i h THR 555 N -0.03 1.27 -0.53 2.39 1.03 -0.92 -2.20 112.91 113.92 1u5i h THR 555 Ca 0.05 -1.11 0.10 0.00 -0.01 0.00 0.00 66.41 65.45 1u5i h THR 555 Cb 0.17 1.25 -0.11 0.00 -1.07 0.00 0.00 68.15 68.39 1u5i h THR 555 CO -0.32 0.37 -0.21 0.40 -0.01 0.00 0.00 175.52 175.74 1u5i h ILE 556 N 0.49 0.34 -0.46 0.00 2.04 -1.26 0.12 117.51 118.78 1u5i h ILE 556 Ca 0.10 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.84 1u5i h ILE 556 Cb 0.56 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1u5i h ILE 556 CO 0.03 0.00 -0.16 -0.07 0.00 0.00 0.00 178.15 177.95 1u5i h LEU 557 N -0.09 0.94 -1.00 1.44 4.07 -0.59 0.24 115.31 120.32 1u5i h LEU 557 Ca 0.24 -0.38 0.35 0.00 0.08 0.00 0.00 57.88 58.17 1u5i h LEU 557 Cb 0.47 -0.26 -0.16 0.00 1.08 0.00 0.00 40.66 41.80 1u5i h LEU 557 CO -0.59 1.11 0.54 -0.09 -1.08 0.00 0.00 178.44 178.33 1u5i h ARG 558 N 0.76 0.21 -0.78 1.13 2.43 -0.58 -1.55 114.38 116.01 1u5i h ARG 558 Ca 0.11 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1u5i h ARG 558 Cb 0.72 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.19 1u5i h ARG 558 CO 0.06 0.14 0.49 0.00 -1.51 0.00 0.00 179.97 179.14 1u5i h ARG 559 N 0.22 1.05 0.00 0.20 3.08 0.20 -2.02 114.38 117.11 1u5i h ARG 559 Ca 0.76 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.73 1u5i h ARG 559 Cb 1.82 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.64 1u5i h ARG 559 CO -0.66 0.72 -0.30 0.28 -1.07 0.00 0.00 179.97 178.94 1u5i n VAL 560 N -4.39 0.07 0.00 2.04 0.31 -0.76 -3.95 118.33 111.65 1u5i n VAL 560 Ca 0.08 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1u5i n VAL 560 Cb 0.05 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 1u5i n VAL 560 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1u5i n LEU 561 N -1.60 1.27 -0.39 7.52 4.77 -0.66 -4.30 117.00 123.61 1u5i n LEU 561 Ca 0.06 0.03 0.32 0.00 -0.03 0.00 0.00 56.01 56.39 1u5i n LEU 561 Cb 0.35 -0.06 0.64 0.00 -2.33 0.00 0.00 43.42 42.02 1u5i n LEU 561 CO 0.32 -0.06 1.27 0.00 -1.33 0.00 0.00 177.39 177.59 1u5i h ALA 562 N -2.00 2.74 -1.73 -1.18 0.00 -0.42 0.76 119.26 117.43 1u5i h ALA 562 Ca 0.00 0.04 -0.59 0.00 0.00 0.00 0.00 54.91 54.36 1u5i h ALA 562 Cb 0.00 0.10 -0.42 0.00 0.00 0.00 0.00 17.79 17.47 1u5i h ALA 562 CO 0.00 -1.20 -0.71 1.63 0.00 0.00 0.00 179.25 178.96 1u5i n LYS 563 N -4.48 3.35 0.00 0.00 5.02 -1.25 -4.61 118.16 116.18 1u5i n LYS 563 Ca 0.30 -4.59 0.00 0.00 -2.02 0.00 0.00 58.31 52.00 1u5i n LYS 563 Cb 1.22 -2.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 1u5i n LYS 563 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1u5i n LYS 568 N -0.41 0.00 -4.56 1.97 5.02 0.26 -4.87 118.16 115.57 1u5i n LYS 568 Ca 0.36 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.40 1u5i n LYS 568 Cb 0.59 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.49 1u5i n LYS 568 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1u5i s SER 569 N -1.00 3.47 -0.75 4.39 0.01 -1.24 -4.99 113.70 113.60 1u5i s SER 569 Ca 0.00 -1.34 -0.02 0.00 1.31 0.00 0.00 55.95 55.90 1u5i s SER 569 Cb 0.00 -0.31 0.34 0.00 0.21 0.00 0.00 66.02 66.25 1u5i s SER 569 CO 0.00 -0.45 2.11 0.47 0.41 0.00 0.00 173.24 175.79 1u5i n ASP 570 N -0.86 7.43 -0.36 2.44 8.00 -1.26 -1.29 116.55 130.64 1u5i n ASP 570 Ca -0.04 -3.73 0.00 0.00 0.71 0.00 0.00 54.79 51.72 1u5i n ASP 570 Cb 0.66 -1.07 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 1u5i n ASP 570 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u5i n GLY 571 N -0.44 -3.29 3.68 0.44 0.00 -1.26 -4.86 105.19 99.47 1u5i n GLY 571 Ca 0.55 -1.10 -0.44 0.00 0.00 0.00 0.00 46.02 45.03 1u5i n GLY 571 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1u5i n PHE 572 N -1.19 2.51 -0.84 1.61 3.72 -1.26 -4.90 117.46 117.10 1u5i n PHE 572 Ca 0.00 -0.04 -0.36 0.00 -0.05 0.00 0.00 57.45 57.00 1u5i n PHE 572 Cb 0.03 -2.68 0.10 0.00 -0.94 0.00 0.00 39.48 35.98 1u5i n PHE 572 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1u5i n SER 573 N 5.37 -2.82 0.08 4.37 3.41 -1.26 -4.84 113.62 117.93 1u5i n SER 573 Ca 0.19 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1u5i n SER 573 Cb 0.34 -0.74 -0.04 0.00 -0.26 0.00 0.00 64.21 63.51 1u5i n SER 573 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1u5i h ILE 574 N -1.51 0.77 0.18 -1.33 6.09 -1.98 -3.21 117.51 116.53 1u5i h ILE 574 Ca -0.46 -2.24 -0.01 0.00 -1.37 0.00 0.00 64.86 60.78 1u5i h ILE 574 Cb 1.37 2.28 0.00 0.00 0.47 0.00 0.00 36.82 40.95 1u5i h ILE 574 CO 0.29 0.44 -0.09 -0.33 -3.07 0.00 0.00 178.15 175.40 1u5i h GLU 575 N 0.00 -0.24 -0.52 2.19 3.07 -2.00 -1.88 114.58 115.20 1u5i h GLU 575 Ca -0.09 0.02 0.05 0.00 -0.50 0.00 0.00 59.36 58.84 1u5i h GLU 575 Cb 1.53 0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 29.43 1u5i h GLU 575 CO 0.06 0.11 -0.34 1.15 -1.40 0.00 0.00 179.01 178.59 1u5i h THR 576 N -0.62 0.00 -0.15 1.13 2.02 -1.94 -0.62 112.91 112.74 1u5i h THR 576 Ca -0.03 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.17 1u5i h THR 576 Cb 0.45 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 1u5i h THR 576 CO 0.04 0.00 -0.09 0.00 0.37 0.00 0.00 175.52 175.84 1u5i h LYS 578 N 0.00 0.22 -0.44 0.00 1.57 -0.29 -1.58 116.57 116.05 1u5i h LYS 578 Ca 0.02 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 1u5i h LYS 578 Cb 0.06 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1u5i h LYS 578 CO -0.14 0.15 -0.22 -0.84 -0.57 0.00 0.00 179.45 177.83 1u5i h ILE 579 N 0.23 1.27 -0.96 1.86 3.07 0.13 0.21 117.51 123.33 1u5i h ILE 579 Ca 0.20 -1.36 0.15 0.00 1.55 0.00 0.00 64.86 65.41 1u5i h ILE 579 Cb 0.24 1.16 -0.16 0.00 -0.27 0.00 0.00 36.82 37.79 1u5i h ILE 579 CO -0.25 0.46 -0.36 0.23 -1.05 0.00 0.00 178.15 177.18 1u5i n MET 580 N -4.11 -0.21 0.38 0.16 2.81 0.47 0.65 117.12 117.27 1u5i n MET 580 Ca 0.00 1.48 -0.16 0.00 -1.81 0.00 0.00 57.70 57.21 1u5i n MET 580 Cb 0.44 -2.19 -0.08 0.00 -0.71 0.00 0.00 33.22 30.68 1u5i n MET 580 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1u5i h VAL 581 N 0.00 0.04 -0.64 2.03 2.07 -0.24 -3.01 116.25 116.50 1u5i h VAL 581 Ca 0.35 -0.26 0.21 0.00 0.82 0.00 0.00 66.70 67.82 1u5i h VAL 581 Cb 0.59 0.05 -0.12 0.00 -1.52 0.00 0.00 31.29 30.29 1u5i h VAL 581 CO -0.96 0.00 0.11 0.47 0.02 0.00 0.00 177.57 177.22 1u5i n ASP 582 N -5.44 0.01 -0.07 0.57 10.43 0.65 0.12 116.55 122.82 1u5i n ASP 582 Ca -0.13 1.09 -0.07 0.00 2.57 0.00 0.00 54.79 58.25 1u5i n ASP 582 Cb 0.40 -0.44 0.11 0.00 1.84 0.00 0.00 41.12 43.04 1u5i n ASP 582 CO 0.00 0.00 0.00 -0.03 -1.07 0.00 0.00 177.20 176.10 1u5i h MET 583 N 0.00 0.72 -0.00 -1.24 4.05 0.35 -3.34 114.93 115.46 1u5i h MET 583 Ca 0.44 -0.28 0.00 0.00 -0.28 0.00 0.00 59.70 59.57 1u5i h MET 583 Cb 1.00 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.76 1u5i h MET 583 CO -0.57 0.88 -0.14 1.28 0.23 0.00 0.00 176.91 178.58 1u5i n LEU 584 N -4.12 0.90 0.00 3.39 7.99 -0.80 -4.90 117.00 119.46 1u5i n LEU 584 Ca 0.00 -0.74 0.00 0.00 -0.01 0.00 0.00 56.01 55.26 1u5i n LEU 584 Cb 0.42 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.73 1u5i n LEU 584 CO 0.44 0.19 0.00 -0.67 -1.51 0.00 0.00 177.39 175.84 1u5i n ASP 585 N -0.40 0.00 0.00 -1.43 -0.08 0.31 -4.71 116.55 110.24 1u5i n ASP 585 Ca 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 1u5i n ASP 585 Cb 0.13 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.59 1u5i n ASP 585 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1u5i n GLU 586 N 0.00 0.00 0.25 -0.67 1.02 -1.26 -4.55 120.64 115.43 1u5i n GLU 586 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.16 1u5i n GLU 586 Cb 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 31.44 31.55 1u5i n GLU 586 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 1u5i h ASP 587 N 0.00 0.00 -6.50 1.62 2.03 -1.88 -3.46 116.42 108.22 1u5i h ASP 587 Ca 0.00 0.00 -0.40 0.00 -0.73 0.00 0.00 57.03 55.90 1u5i h ASP 587 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1u5i h ASP 587 CO 0.00 0.00 -0.92 0.61 -1.03 0.00 0.00 179.24 177.90 1u5i n GLY 588 N -1.35 -1.22 0.00 7.15 0.00 -1.26 -4.96 105.19 103.55 1u5i n GLY 588 Ca -0.00 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.64 1u5i n GLY 588 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u5i n SER 589 N -2.32 0.00 0.00 1.61 3.41 -1.26 -5.04 113.62 110.02 1u5i n SER 589 Ca -0.25 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 1u5i n SER 589 Cb 0.66 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 1u5i n SER 589 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u5i n GLY 590 N 0.00 0.80 3.09 5.00 0.00 -1.26 -5.04 105.19 107.78 1u5i n GLY 590 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1u5i n GLY 590 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u5i s LYS 591 N -0.64 0.60 -0.24 1.61 1.02 -1.26 -3.95 119.74 116.88 1u5i s LYS 591 Ca 0.00 -1.09 -0.06 0.00 0.02 0.00 0.00 55.97 54.84 1u5i s LYS 591 Cb 0.00 0.04 -0.02 0.00 -0.52 0.00 0.00 37.83 37.32 1u5i s LYS 591 CO 0.00 -0.06 0.04 -0.51 -0.92 0.00 0.00 175.35 173.90 1u5i s LEU 592 N -2.54 3.28 0.65 3.17 1.43 -0.62 -4.76 118.68 119.28 1u5i s LEU 592 Ca 0.02 -0.26 -0.11 0.00 -1.03 0.00 0.00 54.13 52.75 1u5i s LEU 592 Cb 0.02 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 1u5i s LEU 592 CO -0.06 -0.03 1.04 -0.83 0.23 0.00 0.00 176.35 176.70 1u5i s GLY 593 N 1.56 1.69 0.05 -3.19 0.00 -1.26 -2.13 107.32 104.05 1u5i s GLY 593 Ca 0.06 0.01 -0.10 0.00 0.00 0.00 0.00 44.72 44.69 1u5i s GLY 593 CO 0.02 0.29 0.59 -0.10 0.00 0.00 0.00 173.10 173.90 1u5i n LEU 594 N -2.84 -0.35 -0.29 0.66 -0.00 -1.26 -0.89 117.00 112.04 1u5i n LEU 594 Ca 0.07 0.67 0.01 0.00 -0.00 0.00 0.00 56.01 56.76 1u5i n LEU 594 Cb 0.54 -0.12 0.21 0.00 -0.00 0.00 0.00 43.42 44.05 1u5i n LEU 594 CO 0.56 -0.52 1.26 0.50 -0.00 0.00 0.00 177.39 179.20 1u5i h LYS 595 N 0.00 1.08 0.00 1.96 3.64 -1.97 -2.34 116.57 118.95 1u5i h LYS 595 Ca 0.05 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.19 1u5i h LYS 595 Cb 0.13 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 1u5i h LYS 595 CO -0.31 0.71 -0.87 0.93 -2.27 0.00 0.00 179.45 177.65 1u5i h GLU 596 N 1.11 0.00 0.00 1.90 5.08 -1.35 -2.39 114.58 118.93 1u5i h GLU 596 Ca 0.35 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1u5i h GLU 596 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1u5i h GLU 596 CO -0.10 0.87 0.00 0.35 -1.00 0.00 0.00 179.01 179.13 1u5i h PHE 597 N 0.00 0.00 0.00 4.33 3.57 -0.73 -1.10 116.94 123.02 1u5i h PHE 597 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1u5i h PHE 597 Cb 1.53 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.27 1u5i h PHE 597 CO 0.00 0.00 0.00 -0.92 -2.23 0.00 0.00 178.31 175.16 1u5i h TYR 598 N 0.00 0.00 0.07 0.41 3.20 -0.90 -2.60 116.97 117.15 1u5i h TYR 598 Ca 0.00 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.67 1u5i h TYR 598 Cb 0.83 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.10 1u5i h TYR 598 CO 0.00 0.00 -1.04 0.82 -1.64 0.00 0.00 178.16 176.30 1u5i h ILE 599 N 0.00 1.21 -0.62 1.81 2.04 -1.24 -2.74 117.51 117.96 1u5i h ILE 599 Ca 0.00 -2.36 0.11 0.00 1.00 0.00 0.00 64.86 63.61 1u5i h ILE 599 Cb 0.87 2.80 -0.08 0.00 -0.74 0.00 0.00 36.82 39.66 1u5i h ILE 599 CO 0.00 0.61 0.17 0.25 0.00 0.00 0.00 178.15 179.18 1u5i h LEU 600 N -0.59 0.09 -0.35 1.44 5.85 -1.29 -0.55 115.31 119.91 1u5i h LEU 600 Ca -0.24 0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.50 1u5i h LEU 600 Cb 1.51 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.65 1u5i h LEU 600 CO 0.00 0.05 -0.13 -0.25 -0.34 0.00 0.00 178.44 177.77 1u5i h TRP 601 N 0.32 0.80 -0.70 1.25 2.91 -1.51 0.67 115.95 119.69 1u5i h TRP 601 Ca 0.33 -0.19 -0.01 0.00 1.13 0.00 0.00 58.89 60.15 1u5i h TRP 601 Cb 0.47 -0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 28.90 1u5i h TRP 601 CO -0.22 0.88 0.41 1.15 -1.03 0.00 0.00 178.44 179.64 1u5i h THR 602 N 0.48 1.20 0.70 2.65 2.02 -0.91 -0.70 112.91 118.35 1u5i h THR 602 Ca 0.08 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 66.77 1u5i h THR 602 Cb 0.65 0.25 0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1u5i h THR 602 CO 0.04 0.21 -0.34 0.11 0.37 0.00 0.00 175.52 175.92 1u5i h LYS 603 N 0.95 -0.90 -1.06 6.66 1.57 -0.73 0.52 116.57 123.58 1u5i h LYS 603 Ca 0.25 0.06 0.29 0.00 -1.87 0.00 0.00 60.65 59.38 1u5i h LYS 603 Cb -0.02 0.21 -0.11 0.00 0.08 0.00 0.00 32.23 32.39 1u5i h LYS 603 CO -0.05 -0.59 0.66 0.82 -0.57 0.00 0.00 179.45 179.72 1u5i h ILE 604 N -0.97 0.46 0.00 1.86 2.04 0.66 0.14 117.51 121.70 1u5i h ILE 604 Ca -0.10 -0.14 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 1u5i h ILE 604 Cb 0.73 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1u5i h ILE 604 CO 0.16 0.07 -0.22 1.56 0.00 0.00 0.00 178.15 179.72 1u5i h GLN 605 N 0.40 0.15 -0.98 2.37 4.20 0.78 -1.25 115.11 120.77 1u5i h GLN 605 Ca 0.65 -0.16 0.19 0.00 0.06 0.00 0.00 58.65 59.38 1u5i h GLN 605 Cb 1.57 0.05 -0.18 0.00 0.30 0.00 0.00 27.48 29.22 1u5i h GLN 605 CO -0.39 0.92 -0.27 -0.22 -0.67 0.00 0.00 178.83 178.20 1u5i h LYS 606 N -0.55 -0.00 0.00 1.46 3.11 0.83 -2.75 116.57 118.66 1u5i h LYS 606 Ca -0.03 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1u5i h LYS 606 Cb 1.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.23 1u5i h LYS 606 CO 0.04 -0.00 0.00 1.88 -2.81 0.00 0.00 179.45 178.56 1u5i h TYR 607 N -0.00 0.00 0.00 1.91 0.05 0.46 -1.10 116.97 118.29 1u5i h TYR 607 Ca 0.45 0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.91 1u5i h TYR 607 Cb 0.69 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.38 1u5i h TYR 607 CO -0.78 0.00 -1.90 1.04 -1.05 0.00 0.00 178.16 175.47 1u5i n GLN 608 N -2.74 0.65 0.25 4.88 6.02 -1.06 -1.11 117.38 124.26 1u5i n GLN 608 Ca -0.02 0.21 -0.10 0.00 -0.01 0.00 0.00 57.00 57.09 1u5i n GLN 608 Cb 0.10 -1.72 -0.05 0.00 1.02 0.00 0.00 30.24 29.59 1u5i n GLN 608 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1u5i h LYS 609 N 0.00 -0.61 -0.38 -1.09 3.64 -0.99 -2.66 116.57 114.49 1u5i h LYS 609 Ca -0.36 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.13 1u5i h LYS 609 Cb 2.08 0.14 -0.09 0.00 -0.41 0.00 0.00 32.23 33.95 1u5i h LYS 609 CO 0.07 -0.41 -0.41 0.82 -2.27 0.00 0.00 179.45 177.25 1u5i h ILE 610 N -0.69 0.14 0.00 2.00 2.04 -1.64 2.20 117.51 121.56 1u5i h ILE 610 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1u5i h ILE 610 Cb 0.48 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1u5i h ILE 610 CO 0.11 0.00 0.12 0.22 0.00 0.00 0.00 178.15 178.59 1u5i h TYR 611 N -0.33 0.00 0.28 1.37 3.20 -1.14 -2.49 116.97 117.85 1u5i h TYR 611 Ca 0.14 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1u5i h TYR 611 Cb 0.58 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.85 1u5i h TYR 611 CO -0.59 0.00 -0.13 -0.09 -1.64 0.00 0.00 178.16 175.70 1u5i h ARG 612 N 0.00 -0.36 -0.37 1.82 2.43 0.40 -2.85 114.38 115.45 1u5i h ARG 612 Ca 0.00 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1u5i h ARG 612 Cb 0.23 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1u5i h ARG 612 CO 0.00 -0.08 0.14 0.93 -1.51 0.00 0.00 179.97 179.45 1u5i h GLU 613 N -1.01 0.52 0.00 0.20 5.08 -1.05 -1.70 114.58 116.62 1u5i h GLU 613 Ca -0.04 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.12 1u5i h GLU 613 Cb 0.45 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1u5i h GLU 613 CO 0.06 0.44 -0.66 0.82 -1.00 0.00 0.00 179.01 178.67 1u5i h ILE 614 N 0.52 1.38 -0.20 3.13 1.08 -1.54 -2.76 117.51 119.12 1u5i h ILE 614 Ca 0.13 -2.35 -0.26 0.00 -0.39 0.00 0.00 64.86 61.98 1u5i h ILE 614 Cb 0.12 2.30 -0.09 0.00 -3.07 0.00 0.00 36.82 36.08 1u5i h ILE 614 CO -0.01 0.65 -0.11 -0.67 -0.69 0.00 0.00 178.15 177.31 1u5i n ASP 615 N -3.61 5.58 0.00 1.72 4.64 -0.64 -4.66 116.55 119.58 1u5i n ASP 615 Ca -0.00 -2.62 0.00 0.00 -1.38 0.00 0.00 54.79 50.78 1u5i n ASP 615 Cb 0.69 -1.39 0.00 0.00 -1.04 0.00 0.00 41.12 39.38 1u5i n ASP 615 CO 0.00 0.00 0.00 0.52 -0.82 0.00 0.00 177.20 176.90 1u5i n VAL 616 N 2.22 0.00 0.01 5.18 0.31 -1.04 -0.01 118.33 125.01 1u5i n VAL 616 Ca 0.45 1.09 0.00 0.00 -0.01 0.00 0.00 64.34 65.88 1u5i n VAL 616 Cb 0.83 -1.48 0.01 0.00 -0.91 0.00 0.00 33.84 32.29 1u5i n VAL 616 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1u5i n ASP 617 N -2.39 0.01 -4.19 4.52 3.85 -1.26 -4.74 116.55 112.35 1u5i n ASP 617 Ca 0.00 0.15 -0.34 0.00 -0.71 0.00 0.00 54.79 53.89 1u5i n ASP 617 Cb 0.00 -0.13 -0.06 0.00 -1.35 0.00 0.00 41.12 39.58 1u5i n ASP 617 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1u5i n ARG 618 N -1.19 -1.18 -0.13 0.11 5.12 0.99 -4.96 116.66 115.42 1u5i n ARG 618 Ca -0.00 0.15 0.02 0.00 -1.93 0.00 0.00 57.85 56.09 1u5i n ARG 618 Cb 0.39 -3.52 0.08 0.00 -1.16 0.00 0.00 32.46 28.25 1u5i n ARG 618 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1u5i n SER 619 N -2.74 1.35 0.00 0.55 2.88 -1.26 -4.96 113.62 109.44 1u5i n SER 619 Ca -0.27 -2.08 0.00 0.00 -1.33 0.00 0.00 58.87 55.19 1u5i n SER 619 Cb 0.66 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 1u5i n SER 619 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1u5i n GLY 620 N 0.56 0.00 3.59 0.46 0.00 -1.26 -4.98 105.19 103.56 1u5i n GLY 620 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 1u5i n GLY 620 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u5i s THR 621 N -0.72 0.00 -0.05 2.61 -4.23 -1.26 -4.74 115.64 107.25 1u5i s THR 621 Ca 0.00 -0.41 0.06 0.00 -1.18 0.00 0.00 61.69 60.16 1u5i s THR 621 Cb 0.00 -1.40 -0.01 0.00 1.34 0.00 0.00 72.50 72.43 1u5i s THR 621 CO 0.00 -0.01 -0.24 -0.32 -0.54 0.00 0.00 174.62 173.52 1u5i s MET 622 N -3.82 2.52 0.31 3.99 1.75 -1.25 -4.76 119.30 118.05 1u5i s MET 622 Ca 0.05 -0.88 -0.17 0.00 -1.25 0.00 0.00 55.69 53.44 1u5i s MET 622 Cb -0.03 -2.18 -0.09 0.00 2.84 0.00 0.00 34.83 35.37 1u5i s MET 622 CO -0.05 0.42 0.76 1.21 -0.65 0.00 0.00 175.02 176.71 1u5i s ASN 623 N -0.25 6.86 0.28 1.11 3.84 -1.26 -2.47 114.94 123.04 1u5i s ASN 623 Ca -0.01 1.36 -0.03 0.00 0.21 0.00 0.00 52.86 54.39 1u5i s ASN 623 Cb -0.13 -2.40 0.58 0.00 -0.55 0.00 0.00 41.25 38.75 1u5i s ASN 623 CO 0.03 -0.16 1.60 0.28 -2.79 0.00 0.00 177.10 176.05 1u5i h SER 624 N 2.50 -0.46 0.01 -4.21 0.02 -0.79 0.27 113.55 110.89 1u5i h SER 624 Ca -0.48 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1u5i h SER 624 Cb 1.18 0.43 0.00 0.00 0.14 0.00 0.00 62.40 64.15 1u5i h SER 624 CO 0.65 -0.27 0.00 1.88 -1.14 0.00 0.00 176.83 177.95 1u5i h TYR 625 N 0.06 0.00 -0.00 3.45 -1.99 -1.76 -1.90 116.97 114.82 1u5i h TYR 625 Ca 0.50 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.23 1u5i h TYR 625 Cb 0.95 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.68 1u5i h TYR 625 CO -0.49 0.00 -0.47 0.39 -0.00 0.00 0.00 178.16 177.59 1u5i n GLU 626 N -2.72 0.41 -0.33 4.88 -0.58 0.08 -4.35 120.64 118.04 1u5i n GLU 626 Ca -0.02 -0.27 0.01 0.00 -0.42 0.00 0.00 57.16 56.45 1u5i n GLU 626 Cb 0.06 -1.49 0.14 0.00 -0.57 0.00 0.00 31.44 29.57 1u5i n GLU 626 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1u5i h MET 627 N 0.66 1.05 -0.81 3.49 2.86 -1.47 0.10 114.93 120.81 1u5i h MET 627 Ca 0.00 -0.06 0.19 0.00 -2.06 0.00 0.00 59.70 57.77 1u5i h MET 627 Cb 0.53 -0.24 -0.14 0.00 0.06 0.00 0.00 31.60 31.81 1u5i h MET 627 CO 0.00 0.70 0.05 -0.09 1.06 0.00 0.00 176.91 178.63 1u5i h ARG 628 N 1.09 0.11 0.02 1.72 2.43 -1.79 0.86 114.38 118.81 1u5i h ARG 628 Ca 0.39 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.55 1u5i h ARG 628 Cb 0.11 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1u5i h ARG 628 CO -0.15 0.07 -0.01 0.87 -1.51 0.00 0.00 179.97 179.24 1u5i h LYS 629 N 0.11 -0.02 -0.97 0.20 1.57 -1.50 -2.08 116.57 113.89 1u5i h LYS 629 Ca 0.46 0.00 0.26 0.00 -1.87 0.00 0.00 60.65 59.50 1u5i h LYS 629 Cb 0.85 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.99 1u5i h LYS 629 CO -0.70 0.70 0.01 0.00 -0.57 0.00 0.00 179.45 178.89 1u5i h ALA 630 N -0.20 1.10 -0.55 3.86 0.00 0.24 0.21 119.26 123.92 1u5i h ALA 630 Ca -0.00 0.34 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1u5i h ALA 630 Cb 0.73 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1u5i h ALA 630 CO 0.00 -0.54 0.28 -0.07 0.00 0.00 0.00 179.25 178.92 1u5i h LEU 631 N 0.02 0.71 0.19 0.00 3.38 0.89 -2.19 115.31 118.31 1u5i h LEU 631 Ca 0.57 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1u5i h LEU 631 Cb 1.15 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1u5i h LEU 631 CO -0.91 0.63 -0.20 -0.08 0.09 0.00 0.00 178.44 177.98 1u5i h GLU 632 N 0.74 -0.41 -0.20 1.13 4.81 0.07 0.43 114.58 121.15 1u5i h GLU 632 Ca 0.19 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.51 1u5i h GLU 632 Cb 0.10 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1u5i h GLU 632 CO -0.03 -0.27 0.23 0.93 -0.73 0.00 0.00 179.01 179.15 1u5i h GLU 633 N -0.42 0.00 -0.21 1.92 4.39 -0.82 0.67 114.58 120.11 1u5i h GLU 633 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1u5i h GLU 633 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1u5i h GLU 633 CO -0.05 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.80 1u5i n ALA 634 N -2.32 2.50 0.00 3.43 0.00 0.13 -4.83 120.51 119.42 1u5i n ALA 634 Ca 0.02 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1u5i n ALA 634 Cb 0.36 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1u5i n ALA 634 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u5i n GLY 635 N 1.15 1.29 3.28 0.00 0.00 0.23 -4.79 105.19 106.35 1u5i n GLY 635 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1u5i n GLY 635 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u5i s PHE 636 N -2.00 1.97 -0.09 1.61 0.40 -0.06 0.16 117.98 119.97 1u5i s PHE 636 Ca 0.00 -0.39 -0.00 0.00 -0.60 0.00 0.00 56.93 55.94 1u5i s PHE 636 Cb 0.00 -1.17 0.02 0.00 0.51 0.00 0.00 43.02 42.38 1u5i s PHE 636 CO 0.00 0.10 -0.06 0.15 0.70 0.00 0.00 175.22 176.12 1u5i s LYS 637 N -1.21 1.23 0.24 0.44 1.02 0.28 -2.41 119.74 119.33 1u5i s LYS 637 Ca 0.09 -0.16 0.06 0.00 0.02 0.00 0.00 55.97 55.98 1u5i s LYS 637 Cb -0.09 -1.32 -0.05 0.00 -0.52 0.00 0.00 37.83 35.85 1u5i s LYS 637 CO 0.02 -0.22 -0.08 -0.51 -0.92 0.00 0.00 175.35 173.64 1u5i s LEU 638 N 1.56 2.47 0.54 3.17 1.43 -1.26 -1.15 118.68 125.43 1u5i s LEU 638 Ca 0.01 -1.13 -0.16 0.00 -1.03 0.00 0.00 54.13 51.83 1u5i s LEU 638 Cb -0.13 -0.58 -0.07 0.00 0.03 0.00 0.00 46.19 45.44 1u5i s LEU 638 CO -0.05 -0.31 1.00 -2.16 0.23 0.00 0.00 176.35 175.06 1u5i s PRO 639 N -3.72 3.84 0.44 1.29 0.04 -1.14 -4.30 135.00 131.46 1u5i s PRO 639 Ca 0.26 0.94 0.29 0.00 0.04 0.00 0.00 61.00 62.53 1u5i s PRO 639 Cb 0.02 -2.12 1.37 0.00 0.04 0.00 0.00 34.50 33.81 1u5i s PRO 639 CO 0.09 -0.36 1.68 0.00 0.04 0.00 0.00 177.00 178.44 1u5i h GLN 641 N 0.16 0.52 0.00 0.00 5.75 -1.99 0.39 115.11 119.94 1u5i h GLN 641 Ca 0.74 -0.51 -0.04 0.00 -0.15 0.00 0.00 58.65 58.69 1u5i h GLN 641 Cb 2.33 0.13 -0.01 0.00 1.07 0.00 0.00 27.48 31.01 1u5i h GLN 641 CO -0.32 1.14 -0.20 -0.07 -2.65 0.00 0.00 178.83 176.74 1u5i h LEU 642 N 0.32 0.00 -0.39 -2.39 3.38 -1.54 -1.18 115.31 113.51 1u5i h LEU 642 Ca -0.08 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.72 1u5i h LEU 642 Cb 1.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.27 1u5i h LEU 642 CO 0.16 0.20 -0.59 0.45 0.09 0.00 0.00 178.44 178.75 1u5i h HIS 643 N 0.00 0.88 -0.45 1.13 3.86 -1.05 -0.79 115.15 118.74 1u5i h HIS 643 Ca -0.00 -0.33 -0.03 0.00 -1.16 0.00 0.00 60.37 58.85 1u5i h HIS 643 Cb 0.64 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.93 1u5i h HIS 643 CO 0.00 1.11 0.15 1.96 0.86 0.00 0.00 177.93 182.01 1u5i h GLN 644 N 0.52 0.65 -0.28 2.45 4.20 -0.29 -2.63 115.11 119.73 1u5i h GLN 644 Ca 0.00 -0.10 -0.13 0.00 0.06 0.00 0.00 58.65 58.48 1u5i h GLN 644 Cb 1.17 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.83 1u5i h GLN 644 CO 0.12 0.56 -0.34 0.28 -0.67 0.00 0.00 178.83 178.78 1u5i h VAL 645 N 0.64 1.30 -0.25 -0.54 2.07 -0.59 -0.53 116.25 118.35 1u5i h VAL 645 Ca 0.15 -1.52 0.03 0.00 0.82 0.00 0.00 66.70 66.18 1u5i h VAL 645 Cb 0.18 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1u5i h VAL 645 CO -0.01 0.49 0.05 0.40 0.02 0.00 0.00 177.57 178.52 1u5i h ILE 646 N 0.46 0.88 -0.03 4.57 2.04 -0.83 0.36 117.51 124.97 1u5i h ILE 646 Ca 0.04 -0.05 -0.19 0.00 1.00 0.00 0.00 64.86 65.66 1u5i h ILE 646 Cb 0.92 0.72 0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1u5i h ILE 646 CO 0.08 0.03 -0.71 1.62 0.00 0.00 0.00 178.15 179.16 1u5i h VAL 647 N 0.15 1.36 -0.90 1.67 3.04 -1.48 0.47 116.25 120.57 1u5i h VAL 647 Ca 0.12 -2.07 0.02 0.00 -1.01 0.00 0.00 66.70 63.76 1u5i h VAL 647 Cb 0.12 2.42 -0.05 0.00 -2.01 0.00 0.00 31.29 31.76 1u5i h VAL 647 CO -0.15 0.62 0.59 0.00 -1.01 0.00 0.00 177.57 177.62 1u5i h ALA 648 N 0.39 1.38 0.00 3.17 0.00 -0.93 -2.08 119.26 121.19 1u5i h ALA 648 Ca -0.08 -0.06 -0.23 0.00 0.00 0.00 0.00 54.91 54.55 1u5i h ALA 648 Cb 1.39 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1u5i h ALA 648 CO 0.14 0.56 -1.13 -0.09 0.00 0.00 0.00 179.25 178.74 1u5i h ARG 649 N 1.19 0.00 -0.35 0.00 9.65 0.06 -3.39 114.38 121.54 1u5i h ARG 649 Ca 0.34 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.21 1u5i h ARG 649 Cb -0.10 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.48 1u5i h ARG 649 CO -0.08 0.91 0.00 1.19 2.80 0.00 0.00 179.97 184.79 1u5i n PHE 650 N -3.30 0.46 -4.29 2.20 3.72 0.16 -5.00 117.46 111.42 1u5i n PHE 650 Ca -0.03 -0.47 -0.16 0.00 -0.05 0.00 0.00 57.45 56.74 1u5i n PHE 650 Cb 0.96 -0.02 -0.10 0.00 -0.94 0.00 0.00 39.48 39.38 1u5i n PHE 650 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1u5i s ALA 651 N -1.00 1.70 0.54 4.37 0.00 -0.79 -4.53 121.76 122.06 1u5i s ALA 651 Ca 0.24 -1.58 0.09 0.00 0.00 0.00 0.00 51.96 50.71 1u5i s ALA 651 Cb 0.13 0.03 0.07 0.00 0.00 0.00 0.00 23.12 23.35 1u5i s ALA 651 CO 0.17 -0.05 0.75 0.16 0.00 0.00 0.00 175.76 176.79 1u5i s ASP 652 N -3.24 5.20 1.21 0.00 -4.77 0.11 -4.89 116.67 110.30 1u5i s ASP 652 Ca 0.20 -0.70 -0.14 0.00 -3.30 0.00 0.00 52.55 48.60 1u5i s ASP 652 Cb 0.02 0.03 0.28 0.00 -1.09 0.00 0.00 42.92 42.16 1u5i s ASP 652 CO 0.04 -1.23 0.85 0.47 0.70 0.00 0.00 175.17 176.00 1u5i n ASP 653 N -2.18 -2.13 0.00 2.11 10.43 -1.26 -1.05 116.55 122.47 1u5i n ASP 653 Ca 0.14 -0.25 0.00 0.00 2.57 0.00 0.00 54.79 57.25 1u5i n ASP 653 Cb 0.61 -1.18 0.00 0.00 1.84 0.00 0.00 41.12 42.39 1u5i n ASP 653 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 1u5i n GLU 654 N -4.66 0.00 -2.82 -1.24 0.28 -1.26 -3.95 120.64 106.99 1u5i n GLU 654 Ca 0.02 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.90 1u5i n GLU 654 Cb 0.55 -3.50 0.03 0.00 1.43 0.00 0.00 31.44 29.95 1u5i n GLU 654 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1u5i n LEU 655 N 0.00 -2.37 -4.56 -1.84 7.99 -0.21 -4.89 117.00 111.12 1u5i n LEU 655 Ca 0.00 -0.20 -0.32 0.00 -0.01 0.00 0.00 56.01 55.48 1u5i n LEU 655 Cb 0.00 -1.85 -0.11 0.00 -0.11 0.00 0.00 43.42 41.35 1u5i n LEU 655 CO 0.00 0.21 -0.41 -0.51 -1.51 0.00 0.00 177.39 175.17 1u5i s ILE 656 N -2.98 3.43 -0.26 -0.08 2.07 -1.22 -0.14 121.20 122.02 1u5i s ILE 656 Ca 0.22 -0.91 0.02 0.00 -1.41 0.00 0.00 60.65 58.57 1u5i s ILE 656 Cb -0.10 -2.49 0.05 0.00 0.13 0.00 0.00 42.46 40.05 1u5i s ILE 656 CO 0.27 0.35 -0.10 -0.63 -1.91 0.00 0.00 174.94 172.93 1u5i s ILE 657 N -1.00 2.31 0.84 2.00 1.01 -1.03 0.09 121.20 125.42 1u5i s ILE 657 Ca 0.17 -1.53 -0.12 0.00 0.00 0.00 0.00 60.65 59.18 1u5i s ILE 657 Cb -0.11 -2.32 0.10 0.00 0.01 0.00 0.00 42.46 40.14 1u5i s ILE 657 CO 0.08 0.01 1.16 1.51 0.00 0.00 0.00 174.94 177.69 1u5i s ASP 658 N 1.15 3.52 0.56 3.58 3.84 -1.26 -3.86 116.67 124.20 1u5i s ASP 658 Ca -0.07 2.19 0.30 0.00 -0.00 0.00 0.00 52.55 54.96 1u5i s ASP 658 Cb -0.19 -2.57 1.46 0.00 -1.38 0.00 0.00 42.92 40.24 1u5i s ASP 658 CO -0.05 -2.71 1.90 0.15 -0.00 0.00 0.00 175.17 174.47 1u5i h PHE 659 N -1.31 0.00 0.29 2.11 3.57 -1.99 -1.57 116.94 118.04 1u5i h PHE 659 Ca -0.44 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.04 1u5i h PHE 659 Cb 1.27 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.01 1u5i h PHE 659 CO 0.50 0.00 -0.14 0.22 -2.23 0.00 0.00 178.31 176.67 1u5i h ASP 660 N 0.00 -0.33 -0.43 0.41 3.58 -1.90 -3.10 116.42 114.66 1u5i h ASP 660 Ca 0.32 0.01 0.10 0.00 0.42 0.00 0.00 57.03 57.87 1u5i h ASP 660 Cb 1.41 0.09 -0.08 0.00 1.72 0.00 0.00 39.33 42.47 1u5i h ASP 660 CO -0.00 0.01 -0.06 0.59 -2.88 0.00 0.00 179.24 176.89 1u5i n ASN 661 N -4.40 -0.12 0.16 2.28 3.02 -1.23 -2.20 115.26 112.77 1u5i n ASN 661 Ca -0.05 0.73 -0.14 0.00 -0.03 0.00 0.00 54.58 55.09 1u5i n ASN 661 Cb 0.15 -0.24 -0.06 0.00 -0.61 0.00 0.00 39.78 39.02 1u5i n ASN 661 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1u5i h PHE 662 N 0.00 -0.66 -0.06 3.10 3.57 -1.32 -0.13 116.94 121.44 1u5i h PHE 662 Ca 0.22 0.01 -0.22 0.00 3.53 0.00 0.00 57.97 61.51 1u5i h PHE 662 Cb 0.39 0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.40 1u5i h PHE 662 CO -0.29 -0.36 -0.84 -0.24 -2.23 0.00 0.00 178.31 174.35 1u5i h VAL 663 N -0.51 1.35 -0.70 1.41 3.04 -1.42 -2.17 116.25 117.25 1u5i h VAL 663 Ca 0.00 -2.21 0.12 0.00 -1.01 0.00 0.00 66.70 63.61 1u5i h VAL 663 Cb 0.49 2.20 -0.09 0.00 -2.01 0.00 0.00 31.29 31.89 1u5i h VAL 663 CO -0.07 0.67 0.26 -0.09 -1.01 0.00 0.00 177.57 177.33 1u5i h ARG 664 N 0.34 0.40 0.35 4.17 2.43 -1.19 0.60 114.38 121.48 1u5i h ARG 664 Ca -0.06 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 1u5i h ARG 664 Cb 1.46 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 1u5i h ARG 664 CO 0.15 0.27 -0.26 0.00 -1.51 0.00 0.00 179.97 178.62 1u5i h LEU 666 N -0.61 0.96 0.54 0.00 3.38 -0.92 -0.41 115.31 118.23 1u5i h LEU 666 Ca -0.03 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1u5i h LEU 666 Cb 0.53 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1u5i h LEU 666 CO -0.00 0.86 -0.29 0.58 0.09 0.00 0.00 178.44 179.68 1u5i h VAL 667 N 1.01 0.41 -0.38 1.22 2.07 0.48 -2.49 116.25 118.58 1u5i h VAL 667 Ca 0.23 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.83 1u5i h VAL 667 Cb 0.21 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 30.32 1u5i h VAL 667 CO -0.02 0.00 -0.10 -0.09 0.02 0.00 0.00 177.57 177.39 1u5i h ARG 668 N -0.76 -0.00 -0.98 1.57 2.43 -0.93 0.63 114.38 116.34 1u5i h ARG 668 Ca -0.07 0.00 0.20 0.00 -0.81 0.00 0.00 59.98 59.30 1u5i h ARG 668 Cb 0.60 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.06 1u5i h ARG 668 CO 0.10 -0.00 0.62 1.25 -1.51 0.00 0.00 179.97 180.43 1u5i h LEU 669 N -0.00 0.63 -0.91 3.80 5.85 -1.08 0.61 115.31 124.20 1u5i h LEU 669 Ca 0.18 0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.88 1u5i h LEU 669 Cb 0.28 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1u5i h LEU 669 CO -0.39 0.22 -0.27 -0.08 -0.34 0.00 0.00 178.44 177.58 1u5i h GLU 670 N 0.61 0.48 -0.01 1.25 4.81 -0.64 -2.00 114.58 119.07 1u5i h GLU 670 Ca 0.55 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 59.53 1u5i h GLU 670 Cb 1.06 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1u5i h GLU 670 CO -0.30 0.71 -0.21 0.82 -0.73 0.00 0.00 179.01 179.30 1u5i h ILE 671 N 0.42 1.54 -0.50 2.32 2.04 0.15 -2.48 117.51 121.00 1u5i h ILE 671 Ca 0.06 -1.87 0.07 0.00 1.00 0.00 0.00 64.86 64.12 1u5i h ILE 671 Cb 0.70 2.71 -0.03 0.00 -0.74 0.00 0.00 36.82 39.46 1u5i h ILE 671 CO 0.05 0.51 0.34 -0.07 0.00 0.00 0.00 178.15 178.98 1u5i h LEU 672 N -0.51 0.35 -0.18 1.44 -0.00 0.18 0.26 115.31 116.84 1u5i h LEU 672 Ca -0.02 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.64 1u5i h LEU 672 Cb 0.94 -0.07 0.01 0.00 -0.00 0.00 0.00 40.66 41.54 1u5i h LEU 672 CO 0.04 0.23 -0.81 -0.26 -0.00 0.00 0.00 178.44 177.64 1u5i h PHE 673 N 0.40 0.97 0.05 1.13 -1.00 -1.38 -2.99 116.94 114.11 1u5i h PHE 673 Ca 0.22 -0.44 -0.00 0.00 2.81 0.00 0.00 57.97 60.56 1u5i h PHE 673 Cb 0.36 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 39.78 1u5i h PHE 673 CO -0.00 1.26 -0.02 0.87 -1.61 0.00 0.00 178.31 178.81 1u5i h LYS 674 N 0.47 -0.06 -0.65 1.51 1.79 -0.49 -2.12 116.57 117.02 1u5i h LYS 674 Ca -0.06 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.48 1u5i h LYS 674 Cb 1.43 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 32.04 1u5i h LYS 674 CO 0.16 0.01 0.35 0.82 -1.08 0.00 0.00 179.45 179.70 1u5i h ILE 675 N -0.11 0.94 0.40 1.86 2.04 -0.49 -2.52 117.51 119.63 1u5i h ILE 675 Ca -0.01 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1u5i h ILE 675 Cb 0.09 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 1u5i h ILE 675 CO 0.01 0.12 -0.48 0.15 0.00 0.00 0.00 178.15 177.95 1u5i h PHE 676 N 0.64 -1.34 0.00 1.37 3.57 -1.45 -1.97 116.94 117.76 1u5i h PHE 676 Ca 0.29 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.80 1u5i h PHE 676 Cb 0.21 0.53 -0.00 0.00 2.79 0.00 0.00 35.95 39.48 1u5i h PHE 676 CO -0.09 -0.63 -0.05 0.87 -2.23 0.00 0.00 178.31 176.18 1u5i h LYS 677 N -0.90 0.00 -0.01 1.11 1.57 -0.97 0.13 116.57 117.49 1u5i h LYS 677 Ca -0.04 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 1u5i h LYS 677 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1u5i h LYS 677 CO -0.11 0.05 -0.22 0.37 -0.57 0.00 0.00 179.45 178.97 1u5i h GLN 678 N 0.00 0.17 0.00 3.15 4.15 -1.45 -1.31 115.11 119.82 1u5i h GLN 678 Ca -0.00 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.25 1u5i h GLN 678 Cb 0.12 0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.86 1u5i h GLN 678 CO 0.01 0.87 0.00 1.28 -1.93 0.00 0.00 178.83 179.06 1u5i n LEU 679 N -4.54 0.00 -2.47 -2.39 4.77 -0.75 -3.73 117.00 107.90 1u5i n LEU 679 Ca -0.09 0.25 -0.12 0.00 -0.03 0.00 0.00 56.01 56.02 1u5i n LEU 679 Cb 0.47 -0.25 0.03 0.00 -2.33 0.00 0.00 43.42 41.34 1u5i n LEU 679 CO 0.39 -0.15 0.07 -0.67 -1.33 0.00 0.00 177.39 175.70 1u5i n ASP 680 N -1.25 3.13 -0.27 -1.43 4.64 0.40 -4.90 116.55 116.87 1u5i n ASP 680 Ca 0.06 -2.87 0.08 0.00 -1.38 0.00 0.00 54.79 50.68 1u5i n ASP 680 Cb 0.09 -0.42 0.23 0.00 -1.04 0.00 0.00 41.12 39.98 1u5i n ASP 680 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1u5i h PRO 681 N 2.45 0.37 -0.07 -0.67 0.13 -1.35 1.02 132.00 133.88 1u5i h PRO 681 Ca 0.10 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1u5i h PRO 681 Cb 1.36 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1u5i h PRO 681 CO 0.48 0.24 0.00 0.39 -0.23 0.00 0.00 178.00 178.88 1u5i n GLU 682 N -5.07 0.47 -4.09 0.86 1.02 -1.26 -4.93 120.64 107.64 1u5i n GLU 682 Ca 0.17 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 57.01 1u5i n GLU 682 Cb 0.51 -1.03 -0.03 0.00 -0.02 0.00 0.00 31.44 30.87 1u5i n GLU 682 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1u5i n ASN 683 N -0.39 -1.22 0.25 1.62 4.05 0.35 -4.86 115.26 115.06 1u5i n ASN 683 Ca 0.00 -1.04 0.16 0.00 0.45 0.00 0.00 54.58 54.16 1u5i n ASN 683 Cb 0.02 -2.80 0.87 0.00 1.23 0.00 0.00 39.78 39.10 1u5i n ASN 683 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1u5i h THR 684 N -1.72 0.48 0.00 -0.44 1.35 -1.92 -3.46 112.91 107.21 1u5i h THR 684 Ca -0.62 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1u5i h THR 684 Cb 1.38 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 1u5i h THR 684 CO 0.69 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.57 1u5i n GLY 685 N -1.36 0.75 3.42 5.82 0.00 -1.26 -5.09 105.19 107.47 1u5i n GLY 685 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 1u5i n GLY 685 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1u5i s THR 686 N -2.51 0.01 0.24 2.61 -1.32 -1.26 -5.17 115.64 108.23 1u5i s THR 686 Ca 0.00 -0.07 0.09 0.00 -1.21 0.00 0.00 61.69 60.49 1u5i s THR 686 Cb 0.00 -0.77 -0.04 0.00 -1.51 0.00 0.00 72.50 70.18 1u5i s THR 686 CO 0.00 -0.04 0.03 0.27 -2.21 0.00 0.00 174.62 172.67 1u5i s ILE 687 N -0.20 3.68 -0.04 5.08 -4.36 -1.26 -4.95 121.20 119.15 1u5i s ILE 687 Ca -0.04 -1.70 0.01 0.00 -0.26 0.00 0.00 60.65 58.66 1u5i s ILE 687 Cb -0.03 -2.94 0.02 0.00 1.25 0.00 0.00 42.46 40.75 1u5i s ILE 687 CO 0.03 -0.30 -0.06 -1.58 0.24 0.00 0.00 174.94 173.27 1u5i s GLN 688 N -3.50 0.85 -0.03 0.37 0.74 -1.26 -5.13 119.66 111.70 1u5i s GLN 688 Ca 0.31 -0.15 -0.05 0.00 0.05 0.00 0.00 55.36 55.51 1u5i s GLN 688 Cb -0.07 -0.83 0.01 0.00 1.10 0.00 0.00 33.01 33.22 1u5i s GLN 688 CO 0.20 -0.03 0.12 -0.51 -0.55 0.00 0.00 175.29 174.53 1u5i s LEU 689 N 0.69 1.57 0.12 3.68 1.43 -1.26 -5.07 118.68 119.84 1u5i s LEU 689 Ca -0.10 0.03 0.08 0.00 -1.03 0.00 0.00 54.13 53.11 1u5i s LEU 689 Cb -0.13 0.52 -0.04 0.00 0.03 0.00 0.00 46.19 46.57 1u5i s LEU 689 CO 0.00 -0.19 -0.13 1.51 0.23 0.00 0.00 176.35 177.77 1u5i s ASP 690 N -0.60 4.19 0.24 2.29 -4.77 -1.26 -4.85 116.67 111.91 1u5i s ASP 690 Ca -0.07 -0.48 0.07 0.00 -3.30 0.00 0.00 52.55 48.78 1u5i s ASP 690 Cb -0.04 -0.71 0.74 0.00 -1.09 0.00 0.00 42.92 41.81 1u5i s ASP 690 CO 0.01 0.17 1.13 -0.11 0.70 0.00 0.00 175.17 177.07 1u5i n LEU 691 N 0.65 0.06 -0.02 2.11 7.94 -1.26 0.10 117.00 126.58 1u5i n LEU 691 Ca -0.14 1.21 -0.16 0.00 -1.11 0.00 0.00 56.01 55.81 1u5i n LEU 691 Cb 0.53 -0.51 -0.12 0.00 0.53 0.00 0.00 43.42 43.85 1u5i n LEU 691 CO 0.32 -1.28 0.32 0.40 -1.11 0.00 0.00 177.39 176.04 1u5i h ILE 692 N 0.00 1.58 0.00 1.96 5.03 -1.97 0.55 117.51 124.67 1u5i h ILE 692 Ca 0.51 -2.14 -0.12 0.00 -0.12 0.00 0.00 64.86 63.00 1u5i h ILE 692 Cb 1.22 2.96 -0.02 0.00 -3.03 0.00 0.00 36.82 37.95 1u5i h ILE 692 CO -0.62 0.58 -0.55 0.28 -0.68 0.00 0.00 178.15 177.16 1u5i h SER 693 N -0.56 0.00 0.64 1.72 0.02 0.28 -2.84 113.55 112.80 1u5i h SER 693 Ca -0.05 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 1u5i h SER 693 Cb 1.13 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.68 1u5i h SER 693 CO 0.06 0.55 -0.31 -0.25 -1.14 0.00 0.00 176.83 175.74 1u5i h TRP 694 N 0.00 -0.79 -0.41 3.45 2.91 0.37 -2.26 115.95 119.22 1u5i h TRP 694 Ca -0.01 -0.02 0.12 0.00 1.13 0.00 0.00 58.89 60.12 1u5i h TRP 694 Cb 1.07 0.26 -0.02 0.00 -0.51 0.00 0.00 29.16 29.97 1u5i h TRP 694 CO 0.00 -0.45 0.33 -0.07 -1.03 0.00 0.00 178.44 177.22 1u5i h LEU 695 N -1.04 0.00 0.00 0.65 3.38 0.13 0.34 115.31 118.77 1u5i h LEU 695 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1u5i h LEU 695 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1u5i h LEU 695 CO 0.14 0.00 -0.05 0.28 0.09 0.00 0.00 178.44 178.90 1u5i h SER 696 N 0.00 0.00 -0.76 -0.43 0.02 -1.53 -3.08 113.55 107.77 1u5i h SER 696 Ca 0.20 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.26 1u5i h SER 696 Cb 0.85 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.31 1u5i h SER 696 CO -0.00 0.46 0.37 -0.26 -1.14 0.00 0.00 176.83 176.26 1u5i h PHE 697 N -0.87 0.66 0.00 3.45 0.04 -0.73 -1.22 116.94 118.26 1u5i h PHE 697 Ca 0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1u5i h PHE 697 Cb 0.05 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.02 1u5i h PHE 697 CO -0.02 0.19 0.00 0.77 -0.60 0.00 0.00 178.31 178.65 1u5i h SER 698 N 0.59 0.00 0.00 2.17 0.02 -0.47 -3.04 113.55 112.81 1u5i h SER 698 Ca 0.40 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.29 1u5i h SER 698 Cb 0.50 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.92 1u5i h SER 698 CO -0.32 0.00 -0.58 1.33 -1.14 0.00 0.00 176.83 176.12 1u5i n VAL 699 N -2.81 1.12 0.00 2.27 0.24 -0.51 -5.04 118.33 113.60 1u5i n VAL 699 Ca 0.00 -1.87 0.00 0.00 -2.04 0.00 0.00 64.34 60.44 1u5i n VAL 699 Cb 0.24 0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 1u5i n VAL 699 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87