#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1df0 n GLY 3 N 0.00 -2.87 0.04 0.00 0.00 -1.26 -4.11 105.19 96.98 1df0 n GLY 3 Ca 0.00 -1.25 0.02 0.00 0.00 0.00 0.00 46.02 44.78 1df0 n GLY 3 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1df0 n ILE 4 N -1.38 1.35 0.20 -0.61 -6.64 -1.26 -0.21 119.36 110.81 1df0 n ILE 4 Ca 0.00 0.55 0.08 0.00 -1.77 0.00 0.00 62.75 61.61 1df0 n ILE 4 Cb 0.01 -1.55 0.34 0.00 -1.44 0.00 0.00 39.64 36.99 1df0 n ILE 4 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1df0 h ALA 5 N 1.51 0.95 0.14 -1.28 0.00 -1.98 0.44 119.26 119.03 1df0 h ALA 5 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1df0 h ALA 5 Cb 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1df0 h ALA 5 CO 0.00 0.37 -0.07 1.98 0.00 0.00 0.00 179.25 181.53 1df0 h MET 6 N 0.00 -0.18 -0.32 0.00 1.85 -0.74 -1.29 114.93 114.25 1df0 h MET 6 Ca -0.00 0.01 0.05 0.00 -0.61 0.00 0.00 59.70 59.15 1df0 h MET 6 Cb 0.91 0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.94 1df0 h MET 6 CO 0.04 0.23 0.06 -0.22 -0.40 0.00 0.00 176.91 176.63 1df0 h LYS 7 N -0.65 0.17 -0.05 0.39 3.64 -1.62 -0.65 116.57 117.80 1df0 h LYS 7 Ca -0.02 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1df0 h LYS 7 Cb 0.49 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1df0 h LYS 7 CO 0.03 0.12 0.04 -0.07 -2.27 0.00 0.00 179.45 177.30 1df0 h LEU 8 N 0.18 0.00 0.19 5.20 4.07 -0.85 0.16 115.31 124.25 1df0 h LEU 8 Ca 0.15 0.00 -0.31 0.00 0.08 0.00 0.00 57.88 57.80 1df0 h LEU 8 Cb 0.17 0.00 0.02 0.00 1.08 0.00 0.00 40.66 41.92 1df0 h LEU 8 CO -0.20 0.00 -1.40 0.00 -1.08 0.00 0.00 178.44 175.76 1df0 h ALA 9 N 1.97 -0.00 0.58 1.53 0.00 -0.31 -2.99 119.26 120.02 1df0 h ALA 9 Ca 0.02 -0.91 -0.03 0.00 0.00 0.00 0.00 54.91 54.00 1df0 h ALA 9 Cb 0.10 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1df0 h ALA 9 CO -0.00 0.87 -0.28 -0.22 0.00 0.00 0.00 179.25 179.62 1df0 h LYS 10 N 0.11 -0.75 -0.67 0.00 1.63 -0.08 -0.63 116.57 116.19 1df0 h LYS 10 Ca -0.21 0.05 0.13 0.00 -0.85 0.00 0.00 60.65 59.77 1df0 h LYS 10 Cb 2.07 0.17 -0.13 0.00 -0.60 0.00 0.00 32.23 33.74 1df0 h LYS 10 CO 0.23 -0.47 -0.24 -0.44 -3.45 0.00 0.00 179.45 175.08 1df0 h ASP 11 N -0.85 -0.87 -0.48 4.20 3.45 -0.85 0.24 116.42 121.27 1df0 h ASP 11 Ca -0.08 0.22 0.09 0.00 0.43 0.00 0.00 57.03 57.69 1df0 h ASP 11 Cb 0.62 0.50 -0.07 0.00 -0.56 0.00 0.00 39.33 39.82 1df0 h ASP 11 CO 0.13 -0.26 0.06 0.03 -1.57 0.00 0.00 179.24 177.62 1df0 h ARG 12 N -0.07 0.18 -0.40 3.56 3.08 -1.31 -0.19 114.38 119.23 1df0 h ARG 12 Ca 0.30 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.35 1df0 h ARG 12 Cb 0.53 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1df0 h ARG 12 CO -0.71 0.12 0.25 0.93 -1.07 0.00 0.00 179.97 179.49 1df0 h GLU 13 N 0.18 0.50 -0.62 0.04 4.39 0.96 -2.58 114.58 117.44 1df0 h GLU 13 Ca 0.24 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.96 1df0 h GLU 13 Cb 0.34 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.82 1df0 h GLU 13 CO -0.35 0.33 0.34 0.00 -1.16 0.00 0.00 179.01 178.17 1df0 h ALA 14 N 1.16 0.82 0.00 3.43 0.00 -0.13 -0.46 119.26 124.08 1df0 h ALA 14 Ca 0.15 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1df0 h ALA 14 Cb -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1df0 h ALA 14 CO -0.05 0.01 0.03 0.00 0.00 0.00 0.00 179.25 179.24 1df0 n ALA 15 N -2.35 1.02 -0.57 0.00 0.00 -0.16 -0.31 120.51 118.16 1df0 n ALA 15 Ca 0.07 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.55 1df0 n ALA 15 Cb 0.16 -0.92 0.06 0.00 0.00 0.00 0.00 19.45 18.75 1df0 n ALA 15 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1df0 n GLU 16 N -1.35 2.04 0.00 0.00 1.02 -0.26 -4.99 120.64 117.10 1df0 n GLU 16 Ca 0.00 -1.90 0.00 0.00 -0.02 0.00 0.00 57.16 55.24 1df0 n GLU 16 Cb 0.03 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 1df0 n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1df0 n GLY 17 N -0.86 2.19 3.63 0.62 0.00 0.58 -5.06 105.19 106.29 1df0 n GLY 17 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1df0 n GLY 17 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1df0 s LEU 18 N 0.00 3.86 0.00 0.99 1.98 -0.73 -1.15 118.68 123.62 1df0 s LEU 18 Ca 0.00 2.08 0.00 0.00 -2.89 0.00 0.00 54.13 53.32 1df0 s LEU 18 Cb 0.00 -3.52 0.00 0.00 0.66 0.00 0.00 46.19 43.33 1df0 s LEU 18 CO 0.00 -1.52 0.00 0.61 -1.89 0.00 0.00 176.35 173.55 1df0 n GLY 19 N 5.14 1.50 3.85 7.98 0.00 -0.39 -3.94 105.19 119.33 1df0 n GLY 19 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 1df0 n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1df0 s SER 20 N -1.98 6.01 0.43 1.61 1.04 -0.30 0.15 113.70 120.65 1df0 s SER 20 Ca 0.00 1.53 0.15 0.00 0.48 0.00 0.00 55.95 58.11 1df0 s SER 20 Cb 0.00 -2.49 1.03 0.00 0.10 0.00 0.00 66.02 64.66 1df0 s SER 20 CO 0.00 -1.02 1.94 -0.74 0.98 0.00 0.00 173.24 174.40 1df0 h HIS 21 N -0.19 0.48 0.00 5.02 2.76 -1.92 -1.07 115.15 120.24 1df0 h HIS 21 Ca -0.45 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.74 1df0 h HIS 21 Cb 1.20 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 30.00 1df0 h HIS 21 CO 0.64 0.20 0.00 0.93 -1.30 0.00 0.00 177.93 178.40 1df0 h GLU 22 N 0.43 0.00 -1.96 5.26 3.07 -1.92 -3.35 114.58 116.11 1df0 h GLU 22 Ca 0.34 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.68 1df0 h GLU 22 Cb 0.73 0.00 -0.39 0.00 -0.84 0.00 0.00 28.75 28.25 1df0 h GLU 22 CO -0.11 0.00 -1.14 -2.13 -1.40 0.00 0.00 179.01 174.24 1df0 n ARG 23 N -2.43 0.83 -2.04 2.33 3.00 -0.44 -5.10 116.66 112.80 1df0 n ARG 23 Ca 0.05 -3.27 -0.41 0.00 -0.00 0.00 0.00 57.85 54.23 1df0 n ARG 23 Cb 0.44 -1.44 -0.02 0.00 0.00 0.00 0.00 32.46 31.45 1df0 n ARG 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1df0 s ALA 24 N -1.71 3.50 0.32 5.13 0.00 -0.96 -1.26 121.76 126.77 1df0 s ALA 24 Ca 0.37 1.33 -0.29 0.00 0.00 0.00 0.00 51.96 53.37 1df0 s ALA 24 Cb 0.25 -3.51 -0.11 0.00 0.00 0.00 0.00 23.12 19.75 1df0 s ALA 24 CO -0.10 -0.75 1.57 0.42 0.00 0.00 0.00 175.76 176.90 1df0 s ILE 25 N -1.14 2.03 -0.48 0.00 1.01 0.08 -4.53 121.20 118.17 1df0 s ILE 25 Ca 0.50 0.03 -0.26 0.00 0.00 0.00 0.00 60.65 60.92 1df0 s ILE 25 Cb -0.41 -3.02 0.03 0.00 0.01 0.00 0.00 42.46 39.07 1df0 s ILE 25 CO 0.55 0.01 0.96 -0.54 0.00 0.00 0.00 174.94 175.92 1df0 s LYS 26 N -1.05 3.52 0.19 2.79 3.01 -1.26 0.61 119.74 127.56 1df0 s LYS 26 Ca 0.60 0.15 -0.32 0.00 -1.01 0.00 0.00 55.97 55.39 1df0 s LYS 26 Cb -0.48 -3.94 -0.11 0.00 -1.01 0.00 0.00 37.83 32.29 1df0 s LYS 26 CO 0.53 -1.29 1.66 -0.47 0.51 0.00 0.00 175.35 176.29 1df0 s TYR 27 N 3.90 2.97 -1.01 3.18 6.04 -0.62 -1.75 117.35 130.06 1df0 s TYR 27 Ca 0.38 0.45 0.00 0.00 0.04 0.00 0.00 57.07 57.94 1df0 s TYR 27 Cb -0.10 -4.06 0.00 0.00 -1.04 0.00 0.00 41.96 36.76 1df0 s TYR 27 CO 0.26 -3.97 0.00 1.28 -1.54 0.00 0.00 175.55 171.58 1df0 n LEU 28 N 3.99 -0.99 0.00 6.97 4.32 -1.26 -1.85 117.00 128.18 1df0 n LEU 28 Ca 0.15 0.24 0.00 0.00 -0.02 0.00 0.00 56.01 56.38 1df0 n LEU 28 Cb 0.36 -1.97 0.00 0.00 -1.62 0.00 0.00 43.42 40.19 1df0 n LEU 28 CO 0.63 -0.23 0.00 0.59 -1.22 0.00 0.00 177.39 177.16 1df0 n ASN 29 N -1.41 -0.65 -4.75 -1.43 4.13 -0.72 -4.96 115.26 105.48 1df0 n ASN 29 Ca -0.13 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.72 1df0 n ASN 29 Cb 0.54 -2.53 -0.03 0.00 -1.54 0.00 0.00 39.78 36.23 1df0 n ASN 29 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1df0 s GLN 30 N -1.07 4.36 -0.32 3.52 -0.21 -0.77 -4.99 119.66 120.16 1df0 s GLN 30 Ca 0.00 2.16 -0.01 0.00 0.02 0.00 0.00 55.36 57.53 1df0 s GLN 30 Cb 0.00 -3.14 0.07 0.00 1.00 0.00 0.00 33.01 30.94 1df0 s GLN 30 CO 0.00 -0.26 0.04 0.34 -2.12 0.00 0.00 175.29 173.29 1df0 s ASP 31 N 0.06 4.93 0.11 5.90 2.15 -1.26 -4.51 116.67 124.05 1df0 s ASP 31 Ca 0.55 -1.51 -0.22 0.00 0.43 0.00 0.00 52.55 51.80 1df0 s ASP 31 Cb -0.39 -1.72 -0.05 0.00 -0.30 0.00 0.00 42.92 40.46 1df0 s ASP 31 CO 0.44 -0.32 1.15 0.00 -0.17 0.00 0.00 175.17 176.26 1df0 n TYR 32 N 4.58 -0.31 0.14 -5.34 4.19 -1.26 -1.10 117.16 118.05 1df0 n TYR 32 Ca -0.10 0.88 -0.09 0.00 3.31 0.00 0.00 57.90 61.91 1df0 n TYR 32 Cb 0.43 -0.55 -0.05 0.00 0.49 0.00 0.00 39.34 39.66 1df0 n TYR 32 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 1df0 h GLU 33 N 0.00 -0.46 -0.95 2.98 5.08 -1.98 0.16 114.58 119.41 1df0 h GLU 33 Ca 0.11 0.03 0.23 0.00 -1.00 0.00 0.00 59.36 58.74 1df0 h GLU 33 Cb 0.29 0.11 -0.18 0.00 0.50 0.00 0.00 28.75 29.47 1df0 h GLU 33 CO -0.66 -0.31 -0.05 1.15 -1.00 0.00 0.00 179.01 178.13 1df0 h THR 34 N -0.48 0.07 -0.33 1.13 2.02 -1.87 0.70 112.91 114.15 1df0 h THR 34 Ca -0.03 -0.01 -0.14 0.00 0.77 0.00 0.00 66.41 67.00 1df0 h THR 34 Cb 0.42 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1df0 h THR 34 CO -0.03 0.00 -0.36 -0.07 0.37 0.00 0.00 175.52 175.43 1df0 h LEU 35 N 0.02 0.81 0.88 2.58 3.38 -0.87 -2.64 115.31 119.46 1df0 h LEU 35 Ca 0.53 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1df0 h LEU 35 Cb 1.00 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.53 1df0 h LEU 35 CO -0.91 1.08 -0.42 -0.09 0.09 0.00 0.00 178.44 178.20 1df0 h ARG 36 N 0.64 -1.13 -1.03 1.13 2.43 0.33 -2.84 114.38 113.89 1df0 h ARG 36 Ca 0.06 0.08 0.28 0.00 -0.81 0.00 0.00 59.98 59.59 1df0 h ARG 36 Cb 0.90 0.26 -0.06 0.00 -0.42 0.00 0.00 29.97 30.64 1df0 h ARG 36 CO 0.08 -0.75 0.71 -0.91 -1.51 0.00 0.00 179.97 177.58 1df0 h ASN 37 N -1.24 0.21 -0.25 -3.80 -0.26 -0.66 0.14 115.58 109.71 1df0 h ASN 37 Ca -0.12 0.03 -0.05 0.00 -0.56 0.00 0.00 56.30 55.60 1df0 h ASN 37 Cb 0.90 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.15 1df0 h ASN 37 CO 0.20 0.05 -0.04 -0.33 -1.06 0.00 0.00 177.43 176.24 1df0 h GLU 38 N 0.19 0.47 0.00 0.81 5.08 -1.33 -2.25 114.58 117.55 1df0 h GLU 38 Ca 0.53 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.71 1df0 h GLU 38 Cb 1.73 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.95 1df0 h GLU 38 CO -0.13 0.68 -0.05 0.00 -1.00 0.00 0.00 179.01 178.51 1df0 h LEU 40 N 0.00 -0.11 -0.32 0.00 3.38 -1.14 0.88 115.31 117.99 1df0 h LEU 40 Ca -0.00 -0.33 0.07 0.00 0.09 0.00 0.00 57.88 57.71 1df0 h LEU 40 Cb 0.20 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 1df0 h LEU 40 CO 0.01 0.50 -0.29 -0.33 0.09 0.00 0.00 178.44 178.42 1df0 h GLU 41 N -0.97 -0.25 -0.29 1.13 5.08 -1.23 0.99 114.58 119.04 1df0 h GLU 41 Ca -0.01 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1df0 h GLU 41 Cb 0.43 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1df0 h GLU 41 CO 0.02 -0.17 0.00 0.00 -1.00 0.00 0.00 179.01 177.87 1df0 n ALA 42 N -2.91 2.29 -4.29 3.43 0.00 -0.65 -4.87 120.51 113.51 1df0 n ALA 42 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1df0 n ALA 42 Cb 0.32 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.69 1df0 n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1df0 n GLY 43 N 0.24 -0.32 3.56 0.00 0.00 0.34 -4.93 105.19 104.08 1df0 n GLY 43 Ca 0.00 0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 1df0 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1df0 s ALA 44 N -3.31 2.88 -0.32 4.61 0.00 0.30 -4.99 121.76 120.94 1df0 s ALA 44 Ca 0.62 -2.20 -0.13 0.00 0.00 0.00 0.00 51.96 50.25 1df0 s ALA 44 Cb -0.36 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 1df0 s ALA 44 CO 0.94 -0.15 0.29 -0.51 0.00 0.00 0.00 175.76 176.33 1df0 s LEU 45 N -3.62 4.32 0.25 0.00 1.43 -1.26 -4.42 118.68 115.37 1df0 s LEU 45 Ca 0.35 -0.17 -0.27 0.00 -1.03 0.00 0.00 54.13 53.00 1df0 s LEU 45 Cb 0.09 -2.24 -0.16 0.00 0.03 0.00 0.00 46.19 43.91 1df0 s LEU 45 CO 0.17 -0.22 0.59 0.33 0.23 0.00 0.00 176.35 177.45 1df0 n PHE 46 N 5.22 -0.25 -3.75 0.29 -0.00 -0.02 -4.98 117.46 113.96 1df0 n PHE 46 Ca -0.11 0.87 -0.23 0.00 -0.00 0.00 0.00 57.45 57.97 1df0 n PHE 46 Cb 0.50 -2.01 -0.18 0.00 -0.00 0.00 0.00 39.48 37.80 1df0 n PHE 46 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 1df0 s GLN 47 N -1.15 0.51 -0.20 -4.13 -0.21 -1.26 -4.81 119.66 108.42 1df0 s GLN 47 Ca 0.62 0.10 -0.29 0.00 0.02 0.00 0.00 55.36 55.82 1df0 s GLN 47 Cb -0.84 -1.01 -0.02 0.00 1.00 0.00 0.00 33.01 32.15 1df0 s GLN 47 CO 0.57 -0.34 1.40 0.34 -2.12 0.00 0.00 175.29 175.14 1df0 s ASP 48 N 1.99 6.72 0.11 5.90 3.68 -1.26 -4.91 116.67 128.91 1df0 s ASP 48 Ca 0.05 1.61 -0.14 0.00 2.13 0.00 0.00 52.55 56.19 1df0 s ASP 48 Cb -0.13 -2.54 -0.06 0.00 -1.45 0.00 0.00 42.92 38.75 1df0 s ASP 48 CO -0.05 -0.97 1.48 -0.65 0.13 0.00 0.00 175.17 175.10 1df0 h PRO 49 N 9.20 0.74 0.00 4.34 0.11 -2.00 -2.20 132.00 142.20 1df0 h PRO 49 Ca -0.29 -0.34 -0.11 0.00 0.11 0.00 0.00 66.00 65.37 1df0 h PRO 49 Cb 1.12 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1df0 h PRO 49 CO 0.99 0.95 -0.51 0.66 -0.21 0.00 0.00 178.00 179.89 1df0 h SER 50 N 0.52 0.00 -2.00 -2.05 4.64 -2.00 -3.35 113.55 109.31 1df0 h SER 50 Ca 0.07 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.86 1df0 h SER 50 Cb 0.75 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.44 1df0 h SER 50 CO 0.06 0.51 -1.14 0.33 -0.87 0.00 0.00 176.83 175.72 1df0 n PHE 51 N -3.83 -0.09 -1.28 4.77 7.35 -1.22 -5.12 117.46 118.05 1df0 n PHE 51 Ca -0.01 -3.67 -0.35 0.00 -0.76 0.00 0.00 57.45 52.66 1df0 n PHE 51 Cb 0.54 -0.38 0.10 0.00 0.35 0.00 0.00 39.48 40.09 1df0 n PHE 51 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1df0 n PRO 52 N 0.95 0.42 -1.89 -7.13 -0.04 -0.83 -4.69 135.00 121.79 1df0 n PRO 52 Ca 0.23 0.21 -0.42 0.00 -0.04 0.00 0.00 63.50 63.48 1df0 n PRO 52 Cb 0.58 -2.33 -0.01 0.00 -0.04 0.00 0.00 33.50 31.70 1df0 n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1df0 n ALA 53 N -2.80 4.53 -2.59 0.55 0.00 -1.26 -4.49 120.51 114.46 1df0 n ALA 53 Ca 0.13 -3.75 -0.13 0.00 0.00 0.00 0.00 53.44 49.69 1df0 n ALA 53 Cb 0.50 -3.57 -0.07 0.00 0.00 0.00 0.00 19.45 16.31 1df0 n ALA 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1df0 s LEU 54 N 3.07 1.02 0.40 0.00 1.43 -1.26 -4.90 118.68 118.44 1df0 s LEU 54 Ca 0.51 -1.36 0.19 0.00 -1.03 0.00 0.00 54.13 52.45 1df0 s LEU 54 Cb 0.11 0.97 1.12 0.00 0.03 0.00 0.00 46.19 48.42 1df0 s LEU 54 CO -0.01 -1.04 1.77 -0.65 0.23 0.00 0.00 176.35 176.65 1df0 h PRO 55 N 2.35 0.37 0.00 1.29 0.11 -1.96 -0.48 132.00 133.68 1df0 h PRO 55 Ca -0.30 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.77 1df0 h PRO 55 Cb 1.24 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1df0 h PRO 55 CO 0.43 0.24 -0.08 0.66 -0.21 0.00 0.00 178.00 179.05 1df0 h SER 56 N 0.38 0.00 0.91 -2.05 4.64 -1.91 0.17 113.55 115.69 1df0 h SER 56 Ca 0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 1df0 h SER 56 Cb 1.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 1df0 h SER 56 CO -0.28 0.08 0.00 -1.20 -0.87 0.00 0.00 176.83 174.55 1df0 n SER 57 N -4.10 0.00 -0.04 4.97 7.64 -0.19 -4.06 113.62 117.83 1df0 n SER 57 Ca -0.03 0.44 -0.03 0.00 1.01 0.00 0.00 58.87 60.26 1df0 n SER 57 Cb 0.16 -0.48 -0.01 0.00 -1.01 0.00 0.00 64.21 62.87 1df0 n SER 57 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1df0 n LEU 58 N -1.48 1.11 0.00 -3.43 4.77 0.53 -2.69 117.00 115.82 1df0 n LEU 58 Ca 0.07 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 1df0 n LEU 58 Cb 0.31 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1df0 n LEU 58 CO 0.25 -0.47 0.00 0.61 -1.33 0.00 0.00 177.39 176.46 1df0 n GLY 59 N 1.64 2.30 0.00 -0.72 0.00 -0.46 -0.25 105.19 107.70 1df0 n GLY 59 Ca -0.05 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1df0 n GLY 59 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1df0 n PHE 60 N 0.00 0.00 0.00 1.61 1.16 -1.25 -4.32 117.46 114.66 1df0 n PHE 60 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1df0 n PHE 60 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1df0 n PHE 60 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 1df0 n LYS 61 N 0.00 0.00 -0.01 3.97 0.00 -1.26 -4.56 118.16 116.29 1df0 n LYS 61 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 58.31 58.23 1df0 n LYS 61 Cb 0.03 0.00 0.08 0.00 0.00 0.00 0.00 35.03 35.15 1df0 n LYS 61 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1df0 h GLU 62 N 0.00 0.60 -0.69 1.64 4.57 -1.99 -3.18 114.58 115.53 1df0 h GLU 62 Ca 0.00 -0.32 -0.50 0.00 -1.18 0.00 0.00 59.36 57.36 1df0 h GLU 62 Cb 0.00 0.01 -0.38 0.00 -0.16 0.00 0.00 28.75 28.22 1df0 h GLU 62 CO 0.00 0.92 -0.69 1.28 -1.18 0.00 0.00 179.01 179.34 1df0 n LEU 63 N -4.01 4.87 -4.96 1.64 4.32 -1.26 -4.82 117.00 112.77 1df0 n LEU 63 Ca -0.02 -4.64 -0.22 0.00 -0.02 0.00 0.00 56.01 51.11 1df0 n LEU 63 Cb 0.54 -0.39 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 1df0 n LEU 63 CO 0.46 2.00 0.20 -0.83 -1.22 0.00 0.00 177.39 178.00 1df0 s GLY 64 N -3.46 1.54 1.21 -0.72 0.00 -1.20 -1.35 107.32 103.33 1df0 s GLY 64 Ca 0.51 -1.15 -0.14 0.00 0.00 0.00 0.00 44.72 43.94 1df0 s GLY 64 CO 0.03 -1.02 1.01 2.56 0.00 0.00 0.00 173.10 175.68 1df0 s PRO 65 N -4.41 -1.29 0.00 2.90 0.04 -1.26 -1.94 135.00 129.03 1df0 s PRO 65 Ca 0.46 0.77 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1df0 s PRO 65 Cb -0.10 -1.51 0.00 0.00 0.04 0.00 0.00 34.50 32.93 1df0 s PRO 65 CO 0.36 -3.96 0.00 0.66 0.04 0.00 0.00 177.00 174.10 1df0 n TYR 66 N -5.07 0.00 -3.06 0.56 4.02 -1.26 -4.95 117.16 107.40 1df0 n TYR 66 Ca 0.03 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.53 1df0 n TYR 66 Cb 0.55 -0.09 -0.06 0.00 -0.02 0.00 0.00 39.34 39.71 1df0 n TYR 66 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1df0 s SER 67 N -0.70 7.29 0.00 7.72 0.15 -0.82 -4.97 113.70 122.38 1df0 s SER 67 Ca 0.00 1.53 0.00 0.00 0.70 0.00 0.00 55.95 58.18 1df0 s SER 67 Cb 0.00 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1df0 s SER 67 CO 0.00 0.21 0.45 -1.54 1.20 0.00 0.00 173.24 173.57 1df0 n SER 68 N 1.72 1.04 -0.02 5.45 3.41 -1.26 -2.35 113.62 121.60 1df0 n SER 68 Ca -0.07 -1.55 0.03 0.00 -0.26 0.00 0.00 58.87 57.02 1df0 n SER 68 Cb 0.49 -0.39 -0.09 0.00 -0.26 0.00 0.00 64.21 63.96 1df0 n SER 68 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1df0 n LYS 69 N 0.20 0.83 0.00 4.33 5.02 -1.26 -4.37 118.16 122.90 1df0 n LYS 69 Ca 0.00 -0.08 0.12 0.00 -2.02 0.00 0.00 58.31 56.32 1df0 n LYS 69 Cb 0.23 -1.29 0.17 0.00 -0.02 0.00 0.00 35.03 34.11 1df0 n LYS 69 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1df0 n THR 70 N -2.05 0.00 -2.35 -0.18 -2.24 -0.99 -4.84 114.28 101.62 1df0 n THR 70 Ca -0.06 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.28 1df0 n THR 70 Cb 0.46 0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 69.11 1df0 n THR 70 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1df0 s ARG 71 N -2.97 3.77 0.00 -0.78 3.52 -1.24 -2.93 118.95 118.32 1df0 s ARG 71 Ca 0.11 1.19 0.00 0.00 -0.13 0.00 0.00 55.73 56.90 1df0 s ARG 71 Cb 0.17 -3.96 0.00 0.00 -1.56 0.00 0.00 34.95 29.60 1df0 s ARG 71 CO 0.73 -1.32 0.00 0.41 -0.81 0.00 0.00 175.30 174.31 1df0 n GLY 72 N 4.65 2.31 3.73 8.12 0.00 -1.26 -5.06 105.19 117.68 1df0 n GLY 72 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1df0 n GLY 72 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1df0 s ILE 73 N -2.13 2.74 -0.12 -0.61 1.01 -1.15 -4.63 121.20 116.31 1df0 s ILE 73 Ca 0.00 0.56 0.01 0.00 0.00 0.00 0.00 60.65 61.22 1df0 s ILE 73 Cb 0.00 -3.36 0.02 0.00 0.01 0.00 0.00 42.46 39.13 1df0 s ILE 73 CO 0.00 0.06 -0.14 -1.61 0.00 0.00 0.00 174.94 173.25 1df0 s GLU 74 N 0.67 2.17 0.02 2.79 2.02 0.12 -4.95 118.70 121.55 1df0 s GLU 74 Ca 0.66 -0.53 -0.29 0.00 0.02 0.00 0.00 54.97 54.82 1df0 s GLU 74 Cb -0.42 -1.92 -0.04 0.00 0.10 0.00 0.00 34.13 31.85 1df0 s GLU 74 CO 0.35 -0.13 0.95 -1.58 0.02 0.00 0.00 175.26 174.86 1df0 s TRP 75 N 1.20 3.68 0.05 1.61 0.52 -1.26 -1.58 118.94 123.15 1df0 s TRP 75 Ca -0.02 1.68 -0.00 0.00 0.02 0.00 0.00 56.10 57.77 1df0 s TRP 75 Cb -0.14 -3.07 -0.03 0.00 -1.15 0.00 0.00 33.47 29.07 1df0 s TRP 75 CO -0.05 0.04 -0.04 0.15 0.02 0.00 0.00 176.95 177.08 1df0 s LYS 76 N 0.78 0.54 0.45 4.98 1.02 -0.53 -4.90 119.74 122.07 1df0 s LYS 76 Ca 0.50 -1.02 0.01 0.00 0.02 0.00 0.00 55.97 55.47 1df0 s LYS 76 Cb -0.21 0.11 -0.00 0.00 -0.52 0.00 0.00 37.83 37.20 1df0 s LYS 76 CO 0.27 -0.07 0.66 1.03 -0.92 0.00 0.00 175.35 176.32 1df0 s ARG 77 N -3.04 3.06 0.20 1.68 0.52 -1.26 0.33 118.95 120.44 1df0 s ARG 77 Ca -0.00 -0.52 -0.11 0.00 -0.52 0.00 0.00 55.73 54.57 1df0 s ARG 77 Cb 0.01 -2.57 0.15 0.00 0.52 0.00 0.00 34.95 33.06 1df0 s ARG 77 CO -0.06 -0.26 1.86 -1.35 0.02 0.00 0.00 175.30 175.51 1df0 h PRO 78 N 0.42 0.84 -0.32 3.54 0.11 -1.97 -2.29 132.00 132.34 1df0 h PRO 78 Ca -0.46 -0.05 0.09 0.00 0.11 0.00 0.00 66.00 65.69 1df0 h PRO 78 Cb 1.25 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1df0 h PRO 78 CO 0.57 0.56 0.45 1.79 -0.21 0.00 0.00 178.00 181.15 1df0 h THR 79 N 0.87 0.27 -0.60 -1.15 1.35 -1.95 0.91 112.91 112.61 1df0 h THR 79 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.12 1df0 h THR 79 Cb -0.05 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 67.00 1df0 h THR 79 CO -0.08 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.57 1df0 n GLU 80 N -3.48 2.64 -0.00 4.72 1.02 -0.86 -4.28 120.64 120.40 1df0 n GLU 80 Ca 0.05 -2.51 0.00 0.00 -0.02 0.00 0.00 57.16 54.69 1df0 n GLU 80 Cb 0.59 -1.54 -0.00 0.00 -0.02 0.00 0.00 31.44 30.47 1df0 n GLU 80 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1df0 n ILE 81 N 1.56 0.00 -3.54 -3.67 3.06 0.29 -4.94 119.36 112.12 1df0 n ILE 81 Ca 0.22 -0.33 -0.13 0.00 -2.50 0.00 0.00 62.75 60.02 1df0 n ILE 81 Cb 0.61 0.83 -0.04 0.00 0.54 0.00 0.00 39.64 41.58 1df0 n ILE 81 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1df0 n ALA 83 N 0.10 3.19 0.00 0.00 0.00 -1.26 -4.10 120.51 118.43 1df0 n ALA 83 Ca -0.18 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.61 1df0 n ALA 83 Cb 0.62 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1df0 n ALA 83 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1df0 n ASP 84 N 0.12 0.00 -4.42 0.00 4.64 -1.26 -5.14 116.55 110.49 1df0 n ASP 84 Ca 0.13 0.00 -0.45 0.00 -1.38 0.00 0.00 54.79 53.10 1df0 n ASP 84 Cb 0.76 0.00 -0.01 0.00 -1.04 0.00 0.00 41.12 40.82 1df0 n ASP 84 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1df0 n PRO 85 N 0.00 0.34 -4.32 -0.67 -0.04 -1.26 -4.97 135.00 124.08 1df0 n PRO 85 Ca 0.00 0.12 -0.28 0.00 -0.04 0.00 0.00 63.50 63.30 1df0 n PRO 85 Cb 0.00 -1.25 -0.11 0.00 -0.04 0.00 0.00 33.50 32.10 1df0 n PRO 85 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1df0 s GLN 86 N -1.22 1.79 -0.05 0.54 2.00 -0.36 -4.62 119.66 117.74 1df0 s GLN 86 Ca 0.62 -1.27 -0.04 0.00 -2.00 0.00 0.00 55.36 52.67 1df0 s GLN 86 Cb -0.76 -2.07 -0.02 0.00 0.80 0.00 0.00 33.01 30.96 1df0 s GLN 86 CO 0.59 0.45 0.22 0.35 -0.50 0.00 0.00 175.29 176.39 1df0 h PHE 87 N 3.43 -0.13 -3.47 1.67 3.57 -1.88 0.26 116.94 120.39 1df0 h PHE 87 Ca -0.48 -0.00 -0.22 0.00 3.53 0.00 0.00 57.97 60.79 1df0 h PHE 87 Cb 1.18 0.04 -0.28 0.00 2.79 0.00 0.00 35.95 39.68 1df0 h PHE 87 CO 0.63 -0.08 -0.62 -1.50 -2.23 0.00 0.00 178.31 174.51 1df0 s ILE 88 N -1.90 -0.01 -0.35 1.41 2.07 -1.26 -1.09 121.20 120.07 1df0 s ILE 88 Ca -0.02 0.04 -0.14 0.00 -1.41 0.00 0.00 60.65 59.12 1df0 s ILE 88 Cb 0.00 -0.15 -0.01 0.00 0.13 0.00 0.00 42.46 42.43 1df0 s ILE 88 CO 0.06 0.02 0.32 -0.63 -1.91 0.00 0.00 174.94 172.79 1df0 s ILE 89 N 0.30 5.21 1.04 2.00 -1.09 -1.26 -5.08 121.20 122.33 1df0 s ILE 89 Ca -0.02 -0.14 -0.15 0.00 -2.23 0.00 0.00 60.65 58.11 1df0 s ILE 89 Cb -0.03 -3.81 0.21 0.00 -1.58 0.00 0.00 42.46 37.25 1df0 s ILE 89 CO -0.01 -0.10 1.14 -0.83 -1.23 0.00 0.00 174.94 173.91 1df0 s GLY 90 N 1.73 1.60 -0.86 6.18 0.00 -1.26 -4.13 107.32 110.59 1df0 s GLY 90 Ca 0.09 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.08 1df0 s GLY 90 CO 0.11 -0.02 0.00 0.61 0.00 0.00 0.00 173.10 173.80 1df0 n GLY 91 N -1.72 0.80 3.77 0.20 0.00 -1.26 -5.00 105.19 101.99 1df0 n GLY 91 Ca 0.10 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 1df0 n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1df0 s ALA 92 N -2.34 3.23 0.00 4.61 0.00 -1.26 -4.91 121.76 121.09 1df0 s ALA 92 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1df0 s ALA 92 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1df0 s ALA 92 CO 0.00 0.09 0.38 0.25 0.00 0.00 0.00 175.76 176.48 1df0 n THR 93 N 0.68 0.00 -3.77 0.00 -2.24 -1.26 -5.05 114.28 102.64 1df0 n THR 93 Ca 0.01 -0.45 -0.09 0.00 -2.27 0.00 0.00 64.05 61.25 1df0 n THR 93 Cb 0.49 1.08 0.02 0.00 -2.10 0.00 0.00 70.33 69.82 1df0 n THR 93 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1df0 n ARG 94 N -0.15 0.99 -4.17 -0.78 1.85 -1.26 -4.18 116.66 108.96 1df0 n ARG 94 Ca 0.00 -2.14 -0.12 0.00 -1.00 0.00 0.00 57.85 54.59 1df0 n ARG 94 Cb 0.02 2.55 -0.10 0.00 -1.05 0.00 0.00 32.46 33.88 1df0 n ARG 94 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 1df0 s THR 95 N -2.27 0.79 -0.10 8.89 -1.32 -0.81 -5.02 115.64 115.80 1df0 s THR 95 Ca 0.17 -1.75 0.15 0.00 -1.21 0.00 0.00 61.69 59.04 1df0 s THR 95 Cb -0.04 -1.47 0.31 0.00 -1.51 0.00 0.00 72.50 69.79 1df0 s THR 95 CO 0.12 -0.71 1.15 -0.90 -2.21 0.00 0.00 174.62 172.07 1df0 n ASP 96 N 0.31 1.40 -4.64 8.08 3.85 -1.26 -4.51 116.55 119.77 1df0 n ASP 96 Ca -0.14 -2.91 -0.34 0.00 -0.71 0.00 0.00 54.79 50.69 1df0 n ASP 96 Cb 0.59 -0.39 0.11 0.00 -1.35 0.00 0.00 41.12 40.08 1df0 n ASP 96 CO 0.00 0.00 0.00 -0.38 -1.01 0.00 0.00 177.20 175.81 1df0 n ILE 97 N -0.63 2.21 -3.59 2.12 2.08 -1.26 -0.60 119.36 119.70 1df0 n ILE 97 Ca 0.12 -0.27 -0.05 0.00 0.56 0.00 0.00 62.75 63.10 1df0 n ILE 97 Cb 0.78 -1.12 -0.02 0.00 -0.75 0.00 0.00 39.64 38.54 1df0 n ILE 97 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1df0 s GLN 99 N -2.93 1.96 0.00 0.00 -1.52 -1.26 -0.75 119.66 115.17 1df0 s GLN 99 Ca 0.08 -1.09 0.00 0.00 -1.95 0.00 0.00 55.36 52.40 1df0 s GLN 99 Cb -0.00 -2.41 0.00 0.00 -0.22 0.00 0.00 33.01 30.38 1df0 s GLN 99 CO -0.05 -1.20 0.00 0.41 -0.25 0.00 0.00 175.29 174.20 1df0 n GLY 100 N -2.65 4.11 0.27 3.09 0.00 0.13 -4.84 105.19 105.31 1df0 n GLY 100 Ca 0.13 -2.11 0.01 0.00 0.00 0.00 0.00 46.02 44.06 1df0 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1df0 h ALA 101 N 0.43 1.45 -1.68 4.61 0.00 -1.78 -3.42 119.26 118.87 1df0 h ALA 101 Ca 0.00 -0.17 -0.48 0.00 0.00 0.00 0.00 54.91 54.26 1df0 h ALA 101 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1df0 h ALA 101 CO 0.00 0.40 -0.39 -0.51 0.00 0.00 0.00 179.25 178.75 1df0 s LEU 102 N -9.10 3.58 0.00 0.00 1.02 -0.64 -5.05 118.68 108.49 1df0 s LEU 102 Ca -0.07 -0.54 0.00 0.00 0.02 0.00 0.00 54.13 53.54 1df0 s LEU 102 Cb 0.16 -2.27 0.00 0.00 0.02 0.00 0.00 46.19 44.09 1df0 s LEU 102 CO 0.75 -0.51 0.00 0.61 0.02 0.00 0.00 176.35 177.22 1df0 n GLY 103 N -1.52 1.49 3.80 -3.19 0.00 -1.25 -3.92 105.19 100.60 1df0 n GLY 103 Ca 0.01 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.44 1df0 n GLY 103 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1df0 s ASP 104 N -0.00 5.02 -0.00 1.61 1.11 -1.26 -4.74 116.67 118.41 1df0 s ASP 104 Ca 0.00 1.72 0.09 0.00 0.18 0.00 0.00 52.55 54.55 1df0 s ASP 104 Cb 0.00 -2.51 -0.23 0.00 1.07 0.00 0.00 42.92 41.25 1df0 s ASP 104 CO 0.00 -1.69 0.81 0.77 1.18 0.00 0.00 175.17 176.25 1df0 h SER 105 N -0.82 0.05 0.00 0.27 4.64 -1.96 -3.31 113.55 112.42 1df0 h SER 105 Ca -0.44 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 1df0 h SER 105 Cb 1.22 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1df0 h SER 105 CO 0.54 1.07 0.19 4.11 -0.87 0.00 0.00 176.83 181.87 1df0 h TRP 106 N 0.01 0.00 -0.47 4.77 5.08 -1.94 0.27 115.95 123.67 1df0 h TRP 106 Ca -0.22 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 59.63 1df0 h TRP 106 Cb 1.96 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 28.10 1df0 h TRP 106 CO 0.01 0.00 -0.18 -0.07 -1.28 0.00 0.00 178.44 176.92 1df0 h LEU 107 N 0.00 0.94 -0.05 0.11 3.38 -1.97 -2.19 115.31 115.52 1df0 h LEU 107 Ca 0.00 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.67 1df0 h LEU 107 Cb 0.38 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 1df0 h LEU 107 CO 0.00 1.09 -0.23 -0.07 0.09 0.00 0.00 178.44 179.32 1df0 h LEU 108 N 0.81 -0.70 0.26 1.67 -0.00 -0.66 0.22 115.31 116.91 1df0 h LEU 108 Ca 0.12 0.10 0.01 0.00 -0.00 0.00 0.00 57.88 58.11 1df0 h LEU 108 Cb 0.73 0.30 -0.04 0.00 -0.00 0.00 0.00 40.66 41.65 1df0 h LEU 108 CO 0.06 -0.30 -0.46 0.00 -0.00 0.00 0.00 178.44 177.74 1df0 h ALA 109 N 0.55 -0.91 -0.56 1.53 0.00 -1.54 0.44 119.26 118.78 1df0 h ALA 109 Ca 0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1df0 h ALA 109 Cb 0.45 0.72 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1df0 h ALA 109 CO -0.25 -1.07 0.22 0.00 0.00 0.00 0.00 179.25 178.16 1df0 h ALA 110 N -0.45 1.35 -0.02 0.00 0.00 -1.15 -2.81 119.26 116.17 1df0 h ALA 110 Ca -0.01 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 1df0 h ALA 110 Cb 0.75 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1df0 h ALA 110 CO -0.18 0.49 -0.56 0.82 0.00 0.00 0.00 179.25 179.82 1df0 h ILE 111 N 0.79 1.42 -0.91 0.00 2.04 -0.27 -3.29 117.51 117.30 1df0 h ILE 111 Ca 0.19 -2.02 0.20 0.00 1.00 0.00 0.00 64.86 64.23 1df0 h ILE 111 Cb 0.16 2.52 -0.07 0.00 -0.74 0.00 0.00 36.82 38.69 1df0 h ILE 111 CO -0.02 0.59 0.60 0.00 0.00 0.00 0.00 178.15 179.32 1df0 h ALA 112 N 0.35 2.15 0.00 1.87 0.00 0.04 -0.80 119.26 122.86 1df0 h ALA 112 Ca -0.06 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1df0 h ALA 112 Cb 1.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1df0 h ALA 112 CO 0.11 -0.44 0.00 0.77 0.00 0.00 0.00 179.25 179.69 1df0 h SER 113 N 0.45 0.00 0.94 0.00 0.02 -1.57 -1.95 113.55 111.43 1df0 h SER 113 Ca 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 1df0 h SER 113 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1df0 h SER 113 CO -0.19 0.00 -0.23 0.18 -1.14 0.00 0.00 176.83 175.45 1df0 n LEU 114 N -2.36 0.40 -0.04 5.07 4.77 -0.31 -3.62 117.00 120.92 1df0 n LEU 114 Ca 0.00 0.34 0.14 0.00 -0.03 0.00 0.00 56.01 56.46 1df0 n LEU 114 Cb 0.13 -0.35 0.65 0.00 -2.33 0.00 0.00 43.42 41.52 1df0 n LEU 114 CO 0.15 -0.01 0.92 0.35 -1.33 0.00 0.00 177.39 177.47 1df0 n THR 115 N -1.74 0.00 0.13 -5.08 -2.24 -0.73 -3.72 114.28 100.90 1df0 n THR 115 Ca 0.06 -0.02 0.12 0.00 -2.27 0.00 0.00 64.05 61.93 1df0 n THR 115 Cb 0.37 -0.31 0.01 0.00 -2.10 0.00 0.00 70.33 68.30 1df0 n THR 115 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1df0 h LEU 116 N 0.19 0.00 -7.26 3.22 3.38 -1.74 -3.45 115.31 109.65 1df0 h LEU 116 Ca 0.00 -0.01 -0.39 0.00 0.09 0.00 0.00 57.88 57.57 1df0 h LEU 116 Cb 0.37 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.72 1df0 h LEU 116 CO 0.00 0.01 -0.74 0.21 0.09 0.00 0.00 178.44 178.00 1df0 s ASN 117 N -5.32 1.42 0.13 -0.43 3.84 -1.24 -5.04 114.94 108.30 1df0 s ASN 117 Ca -0.00 -0.08 -0.24 0.00 0.21 0.00 0.00 52.86 52.76 1df0 s ASN 117 Cb 0.10 -0.17 -0.02 0.00 -0.55 0.00 0.00 41.25 40.61 1df0 s ASN 117 CO 0.78 -0.27 1.64 -0.08 -2.79 0.00 0.00 177.10 176.38 1df0 h GLU 118 N 8.43 -0.29 -0.80 0.43 4.81 -1.87 -2.24 114.58 123.04 1df0 h GLU 118 Ca -0.13 0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.27 1df0 h GLU 118 Cb 1.13 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.51 1df0 h GLU 118 CO 0.18 -0.19 0.53 0.93 -0.73 0.00 0.00 179.01 179.73 1df0 h GLU 119 N -0.30 0.51 0.00 1.92 5.08 -1.95 0.14 114.58 119.98 1df0 h GLU 119 Ca 0.10 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1df0 h GLU 119 Cb 0.44 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1df0 h GLU 119 CO -0.29 0.34 0.00 0.82 -1.00 0.00 0.00 179.01 178.88 1df0 h ILE 120 N 0.52 0.00 0.12 3.13 2.04 -1.74 -3.19 117.51 118.40 1df0 h ILE 120 Ca 0.40 -0.65 -0.34 0.00 1.00 0.00 0.00 64.86 65.27 1df0 h ILE 120 Cb 0.79 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 1df0 h ILE 120 CO -0.15 0.00 -1.84 0.25 0.00 0.00 0.00 178.15 176.41 1df0 h LEU 121 N 0.00 0.39 0.38 1.44 5.85 -0.26 -3.37 115.31 119.75 1df0 h LEU 121 Ca 0.00 -0.76 -0.01 0.00 0.84 0.00 0.00 57.88 57.96 1df0 h LEU 121 Cb 0.80 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1df0 h LEU 121 CO 0.00 1.67 -0.32 0.00 -0.34 0.00 0.00 178.44 179.45 1df0 h ALA 122 N 0.28 -0.72 -1.28 1.25 0.00 -1.26 0.17 119.26 117.69 1df0 h ALA 122 Ca -0.36 -0.12 0.44 0.00 0.00 0.00 0.00 54.91 54.86 1df0 h ALA 122 Cb 2.04 0.44 -0.12 0.00 0.00 0.00 0.00 17.79 20.15 1df0 h ALA 122 CO 0.12 -0.93 0.84 0.54 0.00 0.00 0.00 179.25 179.81 1df0 n ARG 123 N -5.44 -0.03 0.00 0.00 5.12 -1.20 0.09 116.66 115.19 1df0 n ARG 123 Ca -0.10 1.11 0.04 0.00 -1.93 0.00 0.00 57.85 56.97 1df0 n ARG 123 Cb 0.34 -2.22 -0.01 0.00 -1.16 0.00 0.00 32.46 29.41 1df0 n ARG 123 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 1df0 n VAL 124 N -4.43 0.00 -3.41 1.55 3.14 -1.00 -4.58 118.33 109.61 1df0 n VAL 124 Ca 0.36 -0.39 -0.22 0.00 -2.96 0.00 0.00 64.34 61.13 1df0 n VAL 124 Cb 1.44 1.06 -0.10 0.00 -1.06 0.00 0.00 33.84 35.19 1df0 n VAL 124 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1df0 s VAL 125 N -1.33 -0.14 -0.16 1.55 1.01 0.11 -3.04 120.40 118.40 1df0 s VAL 125 Ca 0.05 -1.24 -0.40 0.00 0.00 0.00 0.00 61.98 60.40 1df0 s VAL 125 Cb 0.06 -0.87 -0.17 0.00 0.00 0.00 0.00 36.38 35.40 1df0 s VAL 125 CO 0.23 -0.74 1.54 -2.65 0.00 0.00 0.00 175.10 173.48 1df0 n PRO 126 N 4.26 0.94 0.18 2.72 -0.02 -1.22 -4.27 135.00 137.60 1df0 n PRO 126 Ca 0.10 0.34 0.07 0.00 -2.02 0.00 0.00 63.50 61.99 1df0 n PRO 126 Cb 0.42 -1.98 0.20 0.00 -0.02 0.00 0.00 33.50 32.12 1df0 n PRO 126 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1df0 h LEU 127 N 5.76 0.00 -4.98 2.45 -0.00 -1.94 -3.37 115.31 113.24 1df0 h LEU 127 Ca -0.47 0.00 -0.62 0.00 -0.00 0.00 0.00 57.88 56.79 1df0 h LEU 127 Cb 1.34 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.99 1df0 h LEU 127 CO 0.88 0.32 3.03 0.47 -0.00 0.00 0.00 178.44 183.13 1df0 n ASP 128 N -3.26 8.19 -4.04 -0.43 8.00 -1.26 -4.84 116.55 118.91 1df0 n ASP 128 Ca 0.02 -2.67 -0.10 0.00 0.71 0.00 0.00 54.79 52.74 1df0 n ASP 128 Cb 0.59 -1.50 -0.11 0.00 -0.02 0.00 0.00 41.12 40.08 1df0 n ASP 128 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1df0 s GLN 129 N 1.37 0.48 -0.06 -1.24 -0.21 -1.26 -5.07 119.66 113.67 1df0 s GLN 129 Ca 0.67 -0.82 -0.32 0.00 0.02 0.00 0.00 55.36 54.91 1df0 s GLN 129 Cb 0.20 -0.05 0.14 0.00 1.00 0.00 0.00 33.01 34.30 1df0 s GLN 129 CO -0.06 -0.02 1.37 -1.54 -2.12 0.00 0.00 175.29 172.92 1df0 s SER 130 N -1.86 -0.03 0.00 5.90 1.04 -1.26 -4.84 113.70 112.65 1df0 s SER 130 Ca -0.08 -0.07 0.22 0.00 0.48 0.00 0.00 55.95 56.51 1df0 s SER 130 Cb -0.06 0.08 0.77 0.00 0.10 0.00 0.00 66.02 66.90 1df0 s SER 130 CO -0.02 -0.15 1.56 0.49 0.98 0.00 0.00 173.24 176.11 1df0 n PHE 131 N -0.51 0.19 0.00 5.02 3.72 -1.26 -4.42 117.46 120.20 1df0 n PHE 131 Ca -0.09 -0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 1df0 n PHE 131 Cb 0.63 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 1df0 n PHE 131 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1df0 n GLN 132 N 0.40 0.00 0.00 -1.08 3.00 -1.26 -4.78 117.38 113.66 1df0 n GLN 132 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 1df0 n GLN 132 Cb 0.36 -0.32 0.00 0.00 0.00 0.00 0.00 30.24 30.28 1df0 n GLN 132 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1df0 n GLU 133 N -2.27 0.00 -0.30 -1.09 -0.58 -1.26 -3.96 120.64 111.18 1df0 n GLU 133 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1df0 n GLU 133 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1df0 n GLU 133 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1df0 n ASN 134 N 0.00 3.48 -4.76 1.62 4.13 -1.26 -4.91 115.26 113.57 1df0 n ASN 134 Ca 0.00 -1.90 -0.39 0.00 1.68 0.00 0.00 54.58 53.97 1df0 n ASN 134 Cb 0.00 -0.72 0.02 0.00 -1.54 0.00 0.00 39.78 37.54 1df0 n ASN 134 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1df0 s TYR 135 N 0.56 2.50 0.00 3.10 6.14 -1.25 -4.89 117.35 123.50 1df0 s TYR 135 Ca 0.00 1.33 0.00 0.00 0.64 0.00 0.00 57.07 59.04 1df0 s TYR 135 Cb 0.00 -3.82 0.00 0.00 0.42 0.00 0.00 41.96 38.56 1df0 s TYR 135 CO 0.00 -2.71 0.47 0.00 0.64 0.00 0.00 175.55 173.95 1df0 n ALA 136 N -0.36 1.90 -2.21 3.97 0.00 -1.26 -5.00 120.51 117.55 1df0 n ALA 136 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.45 1df0 n ALA 136 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1df0 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1df0 n GLY 137 N 0.00 0.26 2.85 0.00 0.00 -1.26 -0.84 105.19 106.20 1df0 n GLY 137 Ca 0.00 -0.65 -0.17 0.00 0.00 0.00 0.00 46.02 45.20 1df0 n GLY 137 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1df0 s ILE 138 N -2.39 0.22 0.00 -0.61 2.07 -1.26 -1.86 121.20 117.37 1df0 s ILE 138 Ca 0.02 0.02 0.02 0.00 -1.41 0.00 0.00 60.65 59.31 1df0 s ILE 138 Cb -0.01 -0.29 -0.01 0.00 0.13 0.00 0.00 42.46 42.29 1df0 s ILE 138 CO 0.03 0.14 -0.07 -0.36 -1.91 0.00 0.00 174.94 172.77 1df0 s PHE 139 N 0.79 0.58 0.29 3.50 0.40 0.04 -4.98 117.98 118.59 1df0 s PHE 139 Ca -0.08 -0.17 0.10 0.00 -0.60 0.00 0.00 56.93 56.18 1df0 s PHE 139 Cb -0.11 -0.37 -0.05 0.00 0.51 0.00 0.00 43.02 43.00 1df0 s PHE 139 CO -0.01 -0.02 -0.01 -3.38 0.70 0.00 0.00 175.22 172.50 1df0 s HIS 140 N -0.34 2.63 0.07 0.36 -3.43 -1.26 -1.41 115.29 111.92 1df0 s HIS 140 Ca 0.01 -0.28 -0.13 0.00 -0.80 0.00 0.00 55.06 53.86 1df0 s HIS 140 Cb -0.04 -1.26 0.02 0.00 -1.43 0.00 0.00 32.58 29.87 1df0 s HIS 140 CO -0.00 0.58 0.30 -0.06 -2.00 0.00 0.00 174.74 173.56 1df0 s PHE 141 N -2.38 -0.06 -0.18 0.38 0.40 -0.21 -4.50 117.98 111.42 1df0 s PHE 141 Ca 0.32 -0.19 -0.01 0.00 -0.60 0.00 0.00 56.93 56.45 1df0 s PHE 141 Cb -0.05 0.10 -0.00 0.00 0.51 0.00 0.00 43.02 43.57 1df0 s PHE 141 CO 0.20 -0.56 -0.11 -0.65 0.70 0.00 0.00 175.22 174.80 1df0 s GLN 142 N -3.18 3.28 0.18 0.44 -0.21 -1.17 -0.76 119.66 118.23 1df0 s GLN 142 Ca -0.01 -0.70 0.09 0.00 0.02 0.00 0.00 55.36 54.77 1df0 s GLN 142 Cb 0.01 -2.79 -0.04 0.00 1.00 0.00 0.00 33.01 31.19 1df0 s GLN 142 CO -0.07 -0.09 -0.13 -0.06 -2.12 0.00 0.00 175.29 172.83 1df0 s PHE 143 N 1.11 2.57 -0.21 0.91 0.40 -1.04 -4.41 117.98 117.31 1df0 s PHE 143 Ca 0.01 -0.25 -0.13 0.00 -0.60 0.00 0.00 56.93 55.96 1df0 s PHE 143 Cb -0.14 -1.27 -0.05 0.00 0.51 0.00 0.00 43.02 42.07 1df0 s PHE 143 CO -0.03 0.50 0.25 -0.46 0.70 0.00 0.00 175.22 176.18 1df0 s TRP 144 N -1.66 3.37 -0.25 0.36 -0.00 0.45 -1.30 118.94 119.91 1df0 s TRP 144 Ca 0.24 0.42 -0.00 0.00 -0.00 0.00 0.00 56.10 56.75 1df0 s TRP 144 Cb -0.09 -2.34 0.07 0.00 -0.00 0.00 0.00 33.47 31.11 1df0 s TRP 144 CO 0.14 0.11 0.01 -0.65 -0.00 0.00 0.00 176.95 176.56 1df0 s GLN 145 N 0.92 1.17 -1.17 5.86 -1.52 0.74 -4.26 119.66 121.42 1df0 s GLN 145 Ca 0.12 -0.93 -0.13 0.00 -1.95 0.00 0.00 55.36 52.47 1df0 s GLN 145 Cb -0.13 -2.39 0.13 0.00 -0.22 0.00 0.00 33.01 30.39 1df0 s GLN 145 CO 0.04 -0.72 0.39 0.66 -0.25 0.00 0.00 175.29 175.42 1df0 n TYR 146 N 4.77 -1.57 0.00 0.91 4.02 -1.26 -1.74 117.16 122.29 1df0 n TYR 146 Ca -0.08 0.43 0.00 0.00 -0.01 0.00 0.00 57.90 58.24 1df0 n TYR 146 Cb 0.44 -1.86 0.00 0.00 -0.02 0.00 0.00 39.34 37.90 1df0 n TYR 146 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1df0 n GLY 147 N -0.92 1.52 3.39 2.72 0.00 -1.26 -4.79 105.19 105.85 1df0 n GLY 147 Ca 0.05 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 1df0 n GLY 147 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1df0 s GLU 148 N 0.00 1.44 0.02 1.61 -1.05 -0.71 -4.98 118.70 115.03 1df0 s GLU 148 Ca 0.00 -1.60 -0.18 0.00 -0.15 0.00 0.00 54.97 53.04 1df0 s GLU 148 Cb 0.00 -1.41 -0.06 0.00 -0.44 0.00 0.00 34.13 32.22 1df0 s GLU 148 CO 0.00 0.26 0.50 -1.58 0.95 0.00 0.00 175.26 175.40 1df0 s TRP 149 N -2.55 3.75 -0.16 4.83 0.52 0.41 -0.18 118.94 125.55 1df0 s TRP 149 Ca 0.23 1.13 -0.00 0.00 0.02 0.00 0.00 56.10 57.48 1df0 s TRP 149 Cb -0.04 -2.43 0.04 0.00 -1.15 0.00 0.00 33.47 29.89 1df0 s TRP 149 CO 0.10 0.56 -0.08 0.08 0.02 0.00 0.00 176.95 177.62 1df0 s VAL 150 N -0.88 1.26 -0.01 4.03 1.01 -0.42 -0.74 120.40 124.65 1df0 s VAL 150 Ca 0.27 -0.65 -0.28 0.00 0.00 0.00 0.00 61.98 61.32 1df0 s VAL 150 Cb -0.18 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1df0 s VAL 150 CO 0.16 0.22 0.89 -0.70 0.00 0.00 0.00 175.10 175.67 1df0 s GLU 151 N 1.58 4.53 0.07 2.72 2.12 0.20 -2.51 118.70 127.42 1df0 s GLU 151 Ca 0.02 1.26 0.08 0.00 0.36 0.00 0.00 54.97 56.68 1df0 s GLU 151 Cb -0.15 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 1df0 s GLU 151 CO -0.08 0.02 -0.18 0.08 -0.54 0.00 0.00 175.26 174.55 1df0 s VAL 152 N 0.83 2.78 0.19 3.70 1.01 0.06 -1.58 120.40 127.39 1df0 s VAL 152 Ca 0.47 -1.33 0.10 0.00 0.00 0.00 0.00 61.98 61.22 1df0 s VAL 152 Cb -0.20 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 1df0 s VAL 152 CO 0.25 0.24 -0.14 -0.69 0.00 0.00 0.00 175.10 174.76 1df0 s VAL 153 N -1.01 2.90 -0.00 2.92 1.01 -1.26 -1.05 120.40 123.91 1df0 s VAL 153 Ca 0.16 -1.83 -0.28 0.00 0.00 0.00 0.00 61.98 60.03 1df0 s VAL 153 Cb -0.10 -2.43 0.07 0.00 0.00 0.00 0.00 36.38 33.91 1df0 s VAL 153 CO 0.07 -0.14 0.63 0.68 0.00 0.00 0.00 175.10 176.34 1df0 s VAL 154 N -1.76 0.01 0.34 2.92 -7.23 -0.50 -4.95 120.40 109.22 1df0 s VAL 154 Ca 0.24 -0.05 -0.06 0.00 -1.81 0.00 0.00 61.98 60.30 1df0 s VAL 154 Cb -0.08 -0.98 -0.05 0.00 0.56 0.00 0.00 36.38 35.83 1df0 s VAL 154 CO 0.14 -0.03 0.63 1.51 -0.31 0.00 0.00 175.10 177.04 1df0 s ASP 155 N -1.55 6.45 0.00 4.85 -4.77 -1.26 -0.78 116.67 119.61 1df0 s ASP 155 Ca -0.08 0.83 0.00 0.00 -3.30 0.00 0.00 52.55 49.99 1df0 s ASP 155 Cb -0.00 -2.19 0.00 0.00 -1.09 0.00 0.00 42.92 39.63 1df0 s ASP 155 CO 0.05 -0.28 0.45 -0.90 0.70 0.00 0.00 175.17 175.18 1df0 n ASP 156 N -1.16 0.78 -4.59 2.11 3.85 -0.78 -4.82 116.55 111.94 1df0 n ASP 156 Ca -0.01 -1.67 -0.42 0.00 -0.71 0.00 0.00 54.79 51.98 1df0 n ASP 156 Cb 0.54 -0.39 -0.02 0.00 -1.35 0.00 0.00 41.12 39.90 1df0 n ASP 156 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1df0 s ARG 157 N -1.07 3.50 -0.10 0.11 0.52 -1.26 -4.03 118.95 116.62 1df0 s ARG 157 Ca 0.00 0.65 -0.05 0.00 -0.52 0.00 0.00 55.73 55.81 1df0 s ARG 157 Cb 0.00 -4.04 -0.04 0.00 0.52 0.00 0.00 34.95 31.39 1df0 s ARG 157 CO 0.00 -1.68 0.11 -0.51 0.02 0.00 0.00 175.30 173.24 1df0 s LEU 158 N 5.46 4.17 0.15 2.53 1.43 0.15 -4.79 118.68 127.77 1df0 s LEU 158 Ca 0.54 0.36 -0.31 0.00 -1.03 0.00 0.00 54.13 53.70 1df0 s LEU 158 Cb -0.11 -2.07 -0.08 0.00 0.03 0.00 0.00 46.19 43.96 1df0 s LEU 158 CO 0.29 0.38 1.32 -2.16 0.23 0.00 0.00 176.35 176.41 1df0 s PRO 159 N -1.11 4.38 0.06 1.29 0.04 -1.26 -1.46 135.00 136.94 1df0 s PRO 159 Ca 0.16 2.01 0.01 0.00 0.04 0.00 0.00 61.00 63.22 1df0 s PRO 159 Cb -0.12 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 1df0 s PRO 159 CO 0.05 -0.31 -0.06 0.95 0.04 0.00 0.00 177.00 177.67 1df0 s THR 160 N 0.61 0.51 -0.32 1.26 -4.23 -0.62 -2.85 115.64 110.00 1df0 s THR 160 Ca 0.60 -1.50 -0.01 0.00 -1.18 0.00 0.00 61.69 59.59 1df0 s THR 160 Cb -0.35 -1.13 0.13 0.00 1.34 0.00 0.00 72.50 72.49 1df0 s THR 160 CO 0.34 -0.68 0.22 -0.75 -0.54 0.00 0.00 174.62 173.21 1df0 s LYS 161 N -2.79 0.38 -0.06 3.99 2.20 -1.05 0.16 119.74 122.56 1df0 s LYS 161 Ca 0.00 -0.72 -0.00 0.00 -0.36 0.00 0.00 55.97 54.90 1df0 s LYS 161 Cb -0.01 -1.04 -0.00 0.00 -1.51 0.00 0.00 37.83 35.27 1df0 s LYS 161 CO -0.03 -1.10 0.05 -0.25 -0.36 0.00 0.00 175.35 173.66 1df0 n ASP 162 N 4.79 -2.07 -2.05 1.43 8.00 -1.26 -4.03 116.55 121.36 1df0 n ASP 162 Ca 0.02 -0.03 -0.19 0.00 0.71 0.00 0.00 54.79 55.30 1df0 n ASP 162 Cb 0.42 -0.73 -0.04 0.00 -0.02 0.00 0.00 41.12 40.75 1df0 n ASP 162 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1df0 n GLY 163 N -1.15 0.47 2.73 0.44 0.00 -1.26 -4.97 105.19 101.44 1df0 n GLY 163 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 1df0 n GLY 163 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1df0 s GLU 164 N -4.45 0.15 0.32 1.61 2.02 -1.26 -5.12 118.70 111.98 1df0 s GLU 164 Ca 0.00 0.25 -0.27 0.00 0.02 0.00 0.00 54.97 54.96 1df0 s GLU 164 Cb 0.00 -0.59 -0.13 0.00 0.10 0.00 0.00 34.13 33.51 1df0 s GLU 164 CO 0.00 -0.28 1.04 1.28 0.02 0.00 0.00 175.26 177.32 1df0 n LEU 165 N 4.97 2.14 -1.07 1.80 7.99 -1.26 -2.55 117.00 129.02 1df0 n LEU 165 Ca -0.10 1.15 0.12 0.00 -0.01 0.00 0.00 56.01 57.17 1df0 n LEU 165 Cb 0.50 -1.32 0.25 0.00 -0.11 0.00 0.00 43.42 42.73 1df0 n LEU 165 CO 0.11 -1.32 0.72 0.18 -1.51 0.00 0.00 177.39 175.58 1df0 n LEU 166 N 1.04 3.18 0.00 2.23 4.77 -1.13 -4.46 117.00 122.63 1df0 n LEU 166 Ca 0.09 -1.39 0.00 0.00 -0.03 0.00 0.00 56.01 54.68 1df0 n LEU 166 Cb 0.34 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1df0 n LEU 166 CO 0.60 0.69 0.00 0.49 -1.33 0.00 0.00 177.39 177.84 1df0 n PHE 167 N 1.30 0.00 -2.70 -1.77 3.72 -1.25 -1.62 117.46 115.14 1df0 n PHE 167 Ca 0.19 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.17 1df0 n PHE 167 Cb 0.56 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.07 1df0 n PHE 167 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1df0 s VAL 168 N 3.57 4.80 0.10 -4.37 1.01 -1.26 0.20 120.40 124.44 1df0 s VAL 168 Ca 0.00 2.02 -0.20 0.00 0.00 0.00 0.00 61.98 63.80 1df0 s VAL 168 Cb 0.00 -4.30 0.05 0.00 0.00 0.00 0.00 36.38 32.13 1df0 s VAL 168 CO 0.00 0.02 0.50 -1.38 0.00 0.00 0.00 175.10 174.24 1df0 s HIS 169 N 1.94 -0.37 0.44 5.22 -3.43 0.07 -3.76 115.29 115.39 1df0 s HIS 169 Ca 0.48 0.23 -0.24 0.00 -0.80 0.00 0.00 55.06 54.72 1df0 s HIS 169 Cb -0.18 0.37 -0.08 0.00 -1.43 0.00 0.00 32.58 31.25 1df0 s HIS 169 CO 0.18 -0.71 1.20 0.45 -2.00 0.00 0.00 174.74 173.86 1df0 s SER 170 N -2.46 6.25 0.08 7.38 0.15 -1.26 -1.28 113.70 122.55 1df0 s SER 170 Ca -0.01 2.41 -0.21 0.00 0.70 0.00 0.00 55.95 58.85 1df0 s SER 170 Cb 0.00 -2.62 -0.11 0.00 -1.71 0.00 0.00 66.02 61.59 1df0 s SER 170 CO -0.08 -0.87 1.57 0.00 1.20 0.00 0.00 173.24 175.06 1df0 h ALA 171 N 2.32 0.23 0.00 5.45 0.00 -1.16 -1.49 119.26 124.61 1df0 h ALA 171 Ca -0.49 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1df0 h ALA 171 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1df0 h ALA 171 CO 0.61 -0.14 0.00 -1.91 0.00 0.00 0.00 179.25 177.82 1df0 n GLU 172 N -4.80 0.48 -1.31 0.00 4.07 -1.26 -4.82 120.64 112.99 1df0 n GLU 172 Ca -0.05 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.00 1df0 n GLU 172 Cb 0.16 -1.02 -0.02 0.00 -0.06 0.00 0.00 31.44 30.50 1df0 n GLU 172 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1df0 n GLY 173 N -0.00 0.43 0.10 8.31 0.00 -0.56 -4.78 105.19 108.69 1df0 n GLY 173 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1df0 n GLY 173 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1df0 n SER 174 N 0.13 2.20 -4.87 1.61 2.88 -1.26 -4.85 113.62 109.45 1df0 n SER 174 Ca -0.06 -0.10 -0.31 0.00 -1.33 0.00 0.00 58.87 57.08 1df0 n SER 174 Cb 0.23 -0.17 -0.01 0.00 -0.75 0.00 0.00 64.21 63.51 1df0 n SER 174 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1df0 s GLU 175 N -2.41 3.72 0.00 -1.46 2.02 -1.26 -1.23 118.70 118.08 1df0 s GLU 175 Ca -0.25 0.65 0.00 0.00 0.02 0.00 0.00 54.97 55.39 1df0 s GLU 175 Cb 0.07 -2.21 0.00 0.00 0.10 0.00 0.00 34.13 32.09 1df0 s GLU 175 CO 0.51 -0.31 0.03 1.19 0.02 0.00 0.00 175.26 176.69 1df0 n PHE 176 N -2.05 0.00 -0.37 1.61 3.01 0.91 -4.33 117.46 116.25 1df0 n PHE 176 Ca 0.04 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.54 1df0 n PHE 176 Cb 0.54 0.00 0.19 0.00 -0.01 0.00 0.00 39.48 40.21 1df0 n PHE 176 CO 0.00 0.00 0.00 0.11 1.01 0.00 0.00 176.76 177.88 1df0 h TRP 177 N 0.00 1.18 -0.51 1.38 5.08 -1.32 -0.97 115.95 120.80 1df0 h TRP 177 Ca 0.00 0.03 -0.00 0.00 1.08 0.00 0.00 58.89 60.00 1df0 h TRP 177 Cb 0.16 -0.38 -0.02 0.00 -3.00 0.00 0.00 29.16 25.91 1df0 h TRP 177 CO 0.00 0.57 0.31 0.66 -1.28 0.00 0.00 178.44 178.70 1df0 h SER 178 N 1.12 0.60 -0.20 0.11 4.64 -1.89 0.45 113.55 118.37 1df0 h SER 178 Ca 0.45 -0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.66 1df0 h SER 178 Cb 0.27 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 1df0 h SER 178 CO -0.20 0.47 -0.07 0.00 -0.87 0.00 0.00 176.83 176.16 1df0 h ALA 179 N 1.16 1.27 0.03 5.18 0.00 -1.44 -1.91 119.26 123.55 1df0 h ALA 179 Ca 0.18 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1df0 h ALA 179 Cb -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1df0 h ALA 179 CO -0.04 0.48 -0.02 -0.07 0.00 0.00 0.00 179.25 179.61 1df0 h LEU 180 N 0.51 -0.04 -0.96 0.00 4.07 -0.78 -2.64 115.31 115.47 1df0 h LEU 180 Ca 0.10 -0.67 0.27 0.00 0.08 0.00 0.00 57.88 57.67 1df0 h LEU 180 Cb 0.43 0.01 -0.14 0.00 1.08 0.00 0.00 40.66 42.04 1df0 h LEU 180 CO 0.02 0.71 0.49 0.25 -1.08 0.00 0.00 178.44 178.83 1df0 h LEU 181 N -0.86 0.45 -0.74 1.67 5.85 -0.00 0.66 115.31 122.33 1df0 h LEU 181 Ca -0.00 0.17 -0.12 0.00 0.84 0.00 0.00 57.88 58.76 1df0 h LEU 181 Cb 0.70 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1df0 h LEU 181 CO 0.01 -0.05 -0.36 -0.08 -0.34 0.00 0.00 178.44 177.62 1df0 h GLU 182 N 0.39 0.55 -0.17 1.25 4.81 -1.38 -1.24 114.58 118.78 1df0 h GLU 182 Ca 0.65 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.61 1df0 h GLU 182 Cb 1.36 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.72 1df0 h GLU 182 CO -0.57 0.83 0.07 -0.22 -0.73 0.00 0.00 179.01 178.39 1df0 h LYS 183 N 0.46 0.25 0.28 1.92 3.11 0.61 -1.27 116.57 121.93 1df0 h LYS 183 Ca 0.05 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 57.83 1df0 h LYS 183 Cb 0.84 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.03 1df0 h LYS 183 CO 0.07 0.33 -0.14 0.00 -2.81 0.00 0.00 179.45 176.90 1df0 h ALA 184 N 0.91 -0.38 -0.91 5.00 0.00 -0.92 -1.35 119.26 121.60 1df0 h ALA 184 Ca 0.06 -0.09 0.18 0.00 0.00 0.00 0.00 54.91 55.06 1df0 h ALA 184 Cb 0.17 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 1df0 h ALA 184 CO -0.00 -0.71 0.59 -0.92 0.00 0.00 0.00 179.25 178.20 1df0 h TYR 185 N -0.39 0.72 -0.23 0.00 -0.00 -1.10 0.26 116.97 116.22 1df0 h TYR 185 Ca -0.04 0.02 -0.14 0.00 -0.00 0.00 0.00 58.73 58.57 1df0 h TYR 185 Cb 0.30 -0.22 -0.01 0.00 -0.00 0.00 0.00 36.73 36.79 1df0 h TYR 185 CO -0.06 0.22 -0.43 0.00 -0.00 0.00 0.00 178.16 177.90 1df0 h ALA 186 N 1.61 0.82 0.09 1.82 0.00 -0.66 -3.00 119.26 119.94 1df0 h ALA 186 Ca 0.47 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1df0 h ALA 186 Cb 0.94 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1df0 h ALA 186 CO -0.21 0.65 -0.04 -0.22 0.00 0.00 0.00 179.25 179.43 1df0 h LYS 187 N 0.47 -0.11 0.00 0.00 3.64 0.60 0.09 116.57 121.25 1df0 h LYS 187 Ca 0.04 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1df0 h LYS 187 Cb 0.94 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1df0 h LYS 187 CO 0.08 -0.08 0.22 1.51 -2.27 0.00 0.00 179.45 178.92 1df0 n ILE 188 N -2.32 0.61 -0.09 2.00 3.06 -0.82 0.24 119.36 122.04 1df0 n ILE 188 Ca -0.01 0.37 0.05 0.00 -2.50 0.00 0.00 62.75 60.66 1df0 n ILE 188 Cb 0.05 -1.37 0.13 0.00 0.54 0.00 0.00 39.64 38.98 1df0 n ILE 188 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1df0 n ASN 189 N -1.08 2.72 0.00 9.51 4.13 -0.55 -5.00 115.26 125.00 1df0 n ASN 189 Ca 0.00 -1.93 0.00 0.00 1.68 0.00 0.00 54.58 54.33 1df0 n ASN 189 Cb 0.22 -0.19 0.00 0.00 -1.54 0.00 0.00 39.78 38.28 1df0 n ASN 189 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1df0 n GLY 190 N 0.44 1.78 3.61 7.41 0.00 0.67 -4.75 105.19 114.35 1df0 n GLY 190 Ca 0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 46.02 45.79 1df0 n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1df0 h TYR 192 N 2.00 0.78 -0.53 0.00 -1.99 -1.29 -1.54 116.97 114.41 1df0 h TYR 192 Ca -0.18 0.02 0.09 0.00 2.00 0.00 0.00 58.73 60.67 1df0 h TYR 192 Cb 1.18 -0.25 -0.03 0.00 2.00 0.00 0.00 36.73 39.63 1df0 h TYR 192 CO 0.30 0.42 0.36 1.49 -0.00 0.00 0.00 178.16 180.73 1df0 h GLU 193 N 0.80 0.30 0.00 4.88 4.81 -0.92 -0.55 114.58 123.90 1df0 h GLU 193 Ca 0.29 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 1df0 h GLU 193 Cb 0.08 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 1df0 h GLU 193 CO -0.13 0.20 -0.03 0.00 -0.73 0.00 0.00 179.01 178.31 1df0 h ALA 194 N 1.73 1.62 0.00 2.92 0.00 -1.53 -0.96 119.26 123.04 1df0 h ALA 194 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1df0 h ALA 194 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1df0 h ALA 194 CO -0.06 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.52 1df0 n LEU 195 N -4.02 0.74 -0.26 0.00 4.32 -0.22 -0.89 117.00 116.68 1df0 n LEU 195 Ca -0.03 0.61 0.04 0.00 -0.02 0.00 0.00 56.01 56.61 1df0 n LEU 195 Cb 0.12 -0.42 0.18 0.00 -1.62 0.00 0.00 43.42 41.67 1df0 n LEU 195 CO 0.30 -0.33 1.05 -1.28 -1.22 0.00 0.00 177.39 175.91 1df0 h SER 196 N 0.00 0.38 -0.68 -1.43 0.87 -1.25 -1.76 113.55 109.69 1df0 h SER 196 Ca 0.00 0.09 -0.41 0.00 -1.23 0.00 0.00 61.79 60.24 1df0 h SER 196 Cb 0.58 0.04 -0.20 0.00 -0.44 0.00 0.00 62.40 62.38 1df0 h SER 196 CO 0.00 0.18 0.53 0.61 -0.53 0.00 0.00 176.83 177.61 1df0 n GLY 197 N -1.32 4.27 3.94 5.77 0.00 -1.25 -4.96 105.19 111.63 1df0 n GLY 197 Ca 0.14 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 1df0 n GLY 197 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1df0 s GLY 198 N -0.59 1.77 -0.15 -0.02 0.00 -0.66 -3.77 107.32 103.90 1df0 s GLY 198 Ca 0.42 -1.25 -0.10 0.00 0.00 0.00 0.00 44.72 43.79 1df0 s GLY 198 CO 0.03 -0.51 0.37 0.00 0.00 0.00 0.00 173.10 173.00 1df0 s ALA 199 N -3.80 -0.94 0.44 3.20 0.00 -1.26 -4.98 121.76 114.42 1df0 s ALA 199 Ca 0.73 1.29 0.25 0.00 0.00 0.00 0.00 51.96 54.23 1df0 s ALA 199 Cb -0.04 -0.78 1.28 0.00 0.00 0.00 0.00 23.12 23.58 1df0 s ALA 199 CO 0.52 -0.23 1.74 1.79 0.00 0.00 0.00 175.76 179.58 1df0 h THR 200 N 5.27 0.40 -0.83 0.00 1.35 -1.99 0.18 112.91 117.28 1df0 h THR 200 Ca -0.34 -0.08 -0.01 0.00 -0.55 0.00 0.00 66.41 65.43 1df0 h THR 200 Cb 1.18 0.14 -0.04 0.00 -1.73 0.00 0.00 68.15 67.70 1df0 h THR 200 CO 0.30 0.04 0.48 0.71 -0.25 0.00 0.00 175.52 176.80 1df0 h THR 201 N 0.24 1.24 -0.28 6.82 1.35 -1.96 0.44 112.91 120.75 1df0 h THR 201 Ca 0.65 -0.55 -0.13 0.00 -0.55 0.00 0.00 66.41 65.83 1df0 h THR 201 Cb 1.94 0.10 -0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1df0 h THR 201 CO -0.26 0.26 -0.33 -0.33 -0.25 0.00 0.00 175.52 174.61 1df0 h GLU 202 N 1.14 0.71 -0.31 4.72 5.08 -1.41 -1.71 114.58 122.80 1df0 h GLU 202 Ca 0.29 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1df0 h GLU 202 Cb -0.01 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1df0 h GLU 202 CO -0.05 1.01 0.20 0.78 -1.00 0.00 0.00 179.01 179.95 1df0 h GLY 203 N 0.45 0.44 0.43 -3.84 0.00 -0.99 0.46 103.07 100.02 1df0 h GLY 203 Ca 0.04 -0.17 0.07 0.00 0.00 0.00 0.00 47.33 47.27 1df0 h GLY 203 CO 0.08 0.17 0.09 0.74 0.00 0.00 0.00 176.54 177.61 1df0 h PHE 204 N 0.42 0.14 0.55 5.60 0.05 -0.07 0.51 116.94 124.13 1df0 h PHE 204 Ca 0.11 0.03 -0.03 0.00 3.82 0.00 0.00 57.97 61.90 1df0 h PHE 204 Cb -0.03 0.01 0.01 0.00 2.00 0.00 0.00 35.95 37.93 1df0 h PHE 204 CO -0.05 0.00 -0.26 0.93 -0.18 0.00 0.00 178.31 178.75 1df0 h GLU 205 N 0.22 -0.71 -0.36 1.51 5.08 -0.82 -1.98 114.58 117.51 1df0 h GLU 205 Ca 0.22 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.73 1df0 h GLU 205 Cb 0.28 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1df0 h GLU 205 CO -0.29 -0.41 0.26 -0.44 -1.00 0.00 0.00 179.01 177.14 1df0 h ASP 206 N -0.99 0.00 1.32 1.42 3.32 0.25 0.33 116.42 122.06 1df0 h ASP 206 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1df0 h ASP 206 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1df0 h ASP 206 CO 0.12 0.00 -0.53 -0.26 -1.72 0.00 0.00 179.24 176.85 1df0 h PHE 207 N 0.00 0.00 0.00 4.55 0.04 0.10 0.13 116.94 121.76 1df0 h PHE 207 Ca 0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.94 1df0 h PHE 207 Cb 0.70 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.85 1df0 h PHE 207 CO 0.00 0.00 -0.84 0.25 -0.60 0.00 0.00 178.31 177.12 1df0 n THR 208 N -2.65 0.00 -0.55 -1.55 -2.24 -0.63 -4.56 114.28 102.10 1df0 n THR 208 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1df0 n THR 208 Cb 0.51 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 1df0 n THR 208 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1df0 n GLY 209 N 2.55 0.69 0.00 3.38 0.00 0.11 -4.89 105.19 107.02 1df0 n GLY 209 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1df0 n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1df0 n GLY 210 N -2.55 2.48 3.43 -0.02 0.00 -1.26 -4.62 105.19 102.64 1df0 n GLY 210 Ca 0.00 -2.12 -0.32 0.00 0.00 0.00 0.00 46.02 43.58 1df0 n GLY 210 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1df0 s ILE 211 N 0.90 2.79 -0.26 -0.61 1.10 -0.63 -4.68 121.20 119.82 1df0 s ILE 211 Ca 0.00 -0.83 -0.01 0.00 -0.51 0.00 0.00 60.65 59.31 1df0 s ILE 211 Cb 0.00 -2.07 0.04 0.00 0.15 0.00 0.00 42.46 40.58 1df0 s ILE 211 CO 0.00 0.59 -0.06 0.00 -2.11 0.00 0.00 174.94 173.35 1df0 s ALA 212 N -0.68 2.68 0.10 1.50 0.00 -1.26 0.04 121.76 124.14 1df0 s ALA 212 Ca 0.11 -1.57 -0.17 0.00 0.00 0.00 0.00 51.96 50.33 1df0 s ALA 212 Cb -0.11 -1.70 -0.07 0.00 0.00 0.00 0.00 23.12 21.25 1df0 s ALA 212 CO 0.00 -0.96 0.54 -1.21 0.00 0.00 0.00 175.76 174.13 1df0 s GLU 213 N 1.27 4.08 0.01 0.00 2.02 -0.05 -4.90 118.70 121.12 1df0 s GLU 213 Ca -0.02 0.60 0.03 0.00 0.02 0.00 0.00 54.97 55.60 1df0 s GLU 213 Cb -0.18 -3.11 -0.01 0.00 0.10 0.00 0.00 34.13 30.93 1df0 s GLU 213 CO -0.04 0.58 -0.10 1.67 0.02 0.00 0.00 175.26 177.38 1df0 s TRP 214 N -1.25 0.90 -0.04 1.61 1.48 -1.26 -0.02 118.94 120.36 1df0 s TRP 214 Ca 0.32 -0.22 0.01 0.00 -1.06 0.00 0.00 56.10 55.15 1df0 s TRP 214 Cb -0.17 -0.57 0.02 0.00 -1.16 0.00 0.00 33.47 31.59 1df0 s TRP 214 CO 0.18 -0.01 -0.05 0.71 -4.06 0.00 0.00 176.95 173.73 1df0 s TYR 215 N -0.43 0.76 -0.37 1.66 1.51 0.92 -4.99 117.35 116.41 1df0 s TYR 215 Ca 0.02 -0.21 -0.28 0.00 -1.01 0.00 0.00 57.07 55.59 1df0 s TYR 215 Cb -0.05 -0.67 0.02 0.00 -0.11 0.00 0.00 41.96 41.15 1df0 s TYR 215 CO 0.00 -0.19 1.05 -1.21 -1.11 0.00 0.00 175.55 174.09 1df0 s GLU 216 N 0.89 3.93 0.57 -0.62 0.41 -1.26 -1.56 118.70 121.06 1df0 s GLU 216 Ca -0.11 0.82 0.29 0.00 -0.41 0.00 0.00 54.97 55.55 1df0 s GLU 216 Cb -0.14 -3.79 1.58 0.00 -1.78 0.00 0.00 34.13 29.99 1df0 s GLU 216 CO 0.00 -1.02 1.87 -0.07 -0.49 0.00 0.00 175.26 175.55 1df0 h LEU 217 N 10.33 0.00 0.00 1.80 4.07 -1.59 -0.81 115.31 129.11 1df0 h LEU 217 Ca -0.22 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.74 1df0 h LEU 217 Cb 1.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.81 1df0 h LEU 217 CO 1.04 0.00 0.00 0.54 -1.08 0.00 0.00 178.44 178.94 1df0 n ARG 218 N -2.72 0.45 -2.91 1.13 1.74 -1.26 -3.81 116.66 109.28 1df0 n ARG 218 Ca -0.02 0.04 -0.13 0.00 -0.77 0.00 0.00 57.85 56.97 1df0 n ARG 218 Cb 0.28 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 1df0 n ARG 218 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1df0 n LYS 219 N -1.22 0.69 -2.32 5.56 2.85 -0.31 -5.15 118.16 118.27 1df0 n LYS 219 Ca 0.13 -2.27 -0.32 0.00 -1.05 0.00 0.00 58.31 54.80 1df0 n LYS 219 Cb 0.17 -1.41 -0.03 0.00 -0.65 0.00 0.00 35.03 33.11 1df0 n LYS 219 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1df0 s PRO 220 N 0.17 3.83 0.82 -1.58 0.04 -1.24 -4.60 135.00 132.44 1df0 s PRO 220 Ca 0.33 1.00 -0.12 0.00 0.04 0.00 0.00 61.00 62.24 1df0 s PRO 220 Cb 0.17 -2.12 0.09 0.00 0.04 0.00 0.00 34.50 32.68 1df0 s PRO 220 CO -0.18 -0.38 1.19 -1.25 0.04 0.00 0.00 177.00 176.42 1df0 s PRO 221 N -4.10 1.87 0.69 0.56 0.04 -1.26 -5.04 135.00 127.76 1df0 s PRO 221 Ca 0.60 0.08 -0.12 0.00 0.04 0.00 0.00 61.00 61.60 1df0 s PRO 221 Cb -0.11 -1.94 0.17 0.00 0.04 0.00 0.00 34.50 32.66 1df0 s PRO 221 CO 0.33 -1.66 0.58 -2.30 0.04 0.00 0.00 177.00 173.99 1df0 n PRO 222 N -3.35 -2.40 -1.48 0.56 -0.02 -1.26 -3.81 135.00 123.24 1df0 n PRO 222 Ca 0.08 -0.93 -0.04 0.00 -2.02 0.00 0.00 63.50 60.59 1df0 n PRO 222 Cb 0.61 -0.92 -0.01 0.00 -0.02 0.00 0.00 33.50 33.16 1df0 n PRO 222 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1df0 n ASN 223 N -4.11 -0.33 -0.14 2.55 6.94 -1.26 -4.72 115.26 114.19 1df0 n ASN 223 Ca 0.08 -0.04 -0.04 0.00 -0.02 0.00 0.00 54.58 54.56 1df0 n ASN 223 Cb 0.32 -0.30 0.03 0.00 -2.36 0.00 0.00 39.78 37.46 1df0 n ASN 223 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1df0 h LEU 224 N -0.08 -0.44 -1.63 -4.53 6.46 -1.97 0.18 115.31 113.29 1df0 h LEU 224 Ca -0.06 0.14 0.15 0.00 -0.12 0.00 0.00 57.88 57.99 1df0 h LEU 224 Cb 0.28 0.29 -0.05 0.00 -0.73 0.00 0.00 40.66 40.46 1df0 h LEU 224 CO 0.08 -0.16 0.49 0.15 -0.62 0.00 0.00 178.44 178.38 1df0 h PHE 225 N -0.01 0.42 -0.12 1.25 3.57 -1.92 0.24 116.94 120.38 1df0 h PHE 225 Ca 0.22 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.57 1df0 h PHE 225 Cb 0.34 -0.13 0.01 0.00 2.79 0.00 0.00 35.95 38.95 1df0 h PHE 225 CO -0.40 0.16 -0.54 -0.22 -2.23 0.00 0.00 178.31 175.09 1df0 h LYS 226 N 0.37 0.58 -0.17 1.11 3.64 -1.09 -1.87 116.57 119.14 1df0 h LYS 226 Ca 0.35 -0.46 0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1df0 h LYS 226 Cb 0.85 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.74 1df0 h LYS 226 CO -0.10 1.09 -0.03 0.82 -2.27 0.00 0.00 179.45 178.95 1df0 h ILE 227 N 0.21 0.85 -0.28 2.00 2.04 0.89 0.87 117.51 124.09 1df0 h ILE 227 Ca -0.03 -0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1df0 h ILE 227 Cb 1.18 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 1df0 h ILE 227 CO 0.11 0.00 0.09 0.40 0.00 0.00 0.00 178.15 178.75 1df0 h ILE 228 N 0.01 0.92 -0.59 -0.67 2.04 -0.66 0.54 117.51 119.11 1df0 h ILE 228 Ca 0.08 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 1df0 h ILE 228 Cb 0.11 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1df0 h ILE 228 CO -0.16 0.04 0.29 -0.61 0.00 0.00 0.00 178.15 177.70 1df0 h GLN 229 N 0.21 0.84 -0.07 2.37 4.15 -1.00 0.02 115.11 121.64 1df0 h GLN 229 Ca 0.12 -0.12 -0.12 0.00 0.77 0.00 0.00 58.65 59.30 1df0 h GLN 229 Cb 0.10 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 1df0 h GLN 229 CO -0.13 0.68 -0.49 0.87 -1.93 0.00 0.00 178.83 177.83 1df0 h LYS 230 N 0.80 0.16 0.02 1.69 1.57 -0.54 -2.32 116.57 117.96 1df0 h LYS 230 Ca 0.20 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1df0 h LYS 230 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1df0 h LYS 230 CO -0.03 0.62 -0.01 0.00 -0.57 0.00 0.00 179.45 179.46 1df0 h ALA 231 N 1.37 -0.02 -0.77 3.86 0.00 -0.46 -2.70 119.26 120.53 1df0 h ALA 231 Ca 0.01 -0.21 0.14 0.00 0.00 0.00 0.00 54.91 54.84 1df0 h ALA 231 Cb 0.91 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 1df0 h ALA 231 CO 0.07 -0.30 0.51 -0.07 0.00 0.00 0.00 179.25 179.46 1df0 h LEU 232 N -0.44 0.47 -1.22 0.00 3.38 -0.95 0.27 115.31 116.82 1df0 h LEU 232 Ca -0.00 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1df0 h LEU 232 Cb 0.42 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1df0 h LEU 232 CO 0.00 0.25 -0.36 -0.33 0.09 0.00 0.00 178.44 178.10 1df0 h GLU 233 N 0.50 0.00 -0.42 1.13 5.08 -1.21 -1.81 114.58 117.85 1df0 h GLU 233 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1df0 h GLU 233 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1df0 h GLU 233 CO -0.13 0.36 0.00 1.63 -1.00 0.00 0.00 179.01 179.86 1df0 n LYS 234 N -3.83 1.97 -1.51 2.33 4.76 0.79 -4.15 118.16 118.53 1df0 n LYS 234 Ca -0.01 -1.38 -0.10 0.00 -2.87 0.00 0.00 58.31 53.94 1df0 n LYS 234 Cb 0.43 -1.35 -0.03 0.00 -1.84 0.00 0.00 35.03 32.24 1df0 n LYS 234 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1df0 n GLY 235 N 1.03 0.87 3.71 0.72 0.00 -0.68 -4.78 105.19 106.06 1df0 n GLY 235 Ca 0.13 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 1df0 n GLY 235 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1df0 s SER 236 N -2.81 3.63 -0.33 1.61 0.01 -0.35 -4.82 113.70 110.64 1df0 s SER 236 Ca 0.00 1.94 -0.10 0.00 1.31 0.00 0.00 55.95 59.09 1df0 s SER 236 Cb 0.00 -2.50 -0.00 0.00 0.21 0.00 0.00 66.02 63.73 1df0 s SER 236 CO 0.00 -2.61 0.17 -0.76 0.41 0.00 0.00 173.24 170.45 1df0 s LEU 237 N -6.28 4.28 -0.12 2.44 1.43 -0.43 -4.71 118.68 115.29 1df0 s LEU 237 Ca 0.64 -0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1df0 s LEU 237 Cb -0.20 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 1df0 s LEU 237 CO 0.57 -0.24 -0.05 -0.76 0.23 0.00 0.00 176.35 176.10 1df0 s LEU 238 N 1.61 3.21 0.01 1.79 1.02 -1.26 0.24 118.68 125.31 1df0 s LEU 238 Ca 0.04 -0.08 0.01 0.00 0.02 0.00 0.00 54.13 54.12 1df0 s LEU 238 Cb -0.18 -1.74 -0.01 0.00 0.02 0.00 0.00 46.19 44.28 1df0 s LEU 238 CO 0.07 0.25 -0.05 -0.83 0.02 0.00 0.00 176.35 175.81 1df0 s GLY 239 N -0.14 0.30 0.20 -3.19 0.00 0.07 -1.74 107.32 102.82 1df0 s GLY 239 Ca 0.02 -0.41 -0.00 0.00 0.00 0.00 0.00 44.72 44.33 1df0 s GLY 239 CO 0.03 -0.41 0.11 0.00 0.00 0.00 0.00 173.10 172.82 1df0 n SER 241 N -0.29 -0.93 -3.96 0.00 3.41 -0.80 -1.56 113.62 109.50 1df0 n SER 241 Ca 0.01 -1.45 -0.30 0.00 -0.26 0.00 0.00 58.87 56.87 1df0 n SER 241 Cb 0.66 1.50 -0.16 0.00 -0.26 0.00 0.00 64.21 65.95 1df0 n SER 241 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1df0 s ILE 242 N -2.25 1.43 0.19 -1.33 1.01 -1.26 -0.07 121.20 118.92 1df0 s ILE 242 Ca 0.14 -0.84 0.11 0.00 0.00 0.00 0.00 60.65 60.05 1df0 s ILE 242 Cb -0.01 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 1df0 s ILE 242 CO 0.03 0.17 -0.19 -1.81 0.00 0.00 0.00 174.94 173.14 1df0 s ASP 243 N 1.49 3.73 -0.02 3.58 1.01 -1.26 -4.66 116.67 120.55 1df0 s ASP 243 Ca -0.00 -0.77 -0.02 0.00 0.71 0.00 0.00 52.55 52.47 1df0 s ASP 243 Cb -0.16 -0.42 -0.02 0.00 1.01 0.00 0.00 42.92 43.34 1df0 s ASP 243 CO -0.08 0.11 -0.06 2.30 0.21 0.00 0.00 175.17 177.66 1df0 n ILE 244 N 0.17 0.53 -2.75 0.77 -5.35 -1.26 -5.02 119.36 106.45 1df0 n ILE 244 Ca -0.12 0.06 -0.06 0.00 -0.27 0.00 0.00 62.75 62.36 1df0 n ILE 244 Cb 0.56 -1.60 0.03 0.00 -1.74 0.00 0.00 39.64 36.89 1df0 n ILE 244 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1df0 n GLY 261 N 2.85 -0.36 3.06 3.28 0.00 -1.26 -5.27 105.19 107.49 1df0 n GLY 261 Ca -0.07 0.35 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 1df0 n GLY 261 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1df0 s HIS 262 N 0.75 1.46 -0.26 1.61 5.65 -1.26 -5.12 115.29 118.12 1df0 s HIS 262 Ca 0.31 -0.46 -0.12 0.00 0.25 0.00 0.00 55.06 55.03 1df0 s HIS 262 Cb 0.13 -1.03 -0.05 0.00 -1.18 0.00 0.00 32.58 30.46 1df0 s HIS 262 CO -0.16 -0.20 0.26 0.00 -0.65 0.00 0.00 174.74 173.99 1df0 s ALA 263 N 0.33 3.56 0.49 1.58 0.00 -1.26 -4.50 121.76 121.96 1df0 s ALA 263 Ca -0.08 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 51.03 1df0 s ALA 263 Cb -0.13 -2.53 0.01 0.00 0.00 0.00 0.00 23.12 20.48 1df0 s ALA 263 CO 0.03 -0.48 0.38 0.71 0.00 0.00 0.00 175.76 176.39 1df0 s TYR 264 N 1.66 2.07 0.06 0.00 1.51 -0.60 -4.56 117.35 117.49 1df0 s TYR 264 Ca 0.11 -0.70 0.04 0.00 -1.01 0.00 0.00 57.07 55.51 1df0 s TYR 264 Cb -0.15 -2.01 -0.03 0.00 -0.11 0.00 0.00 41.96 39.66 1df0 s TYR 264 CO 0.09 -0.30 -0.12 -1.54 -1.11 0.00 0.00 175.55 172.57 1df0 s SER 265 N -4.20 1.36 -0.36 2.29 1.04 -0.60 -0.75 113.70 112.48 1df0 s SER 265 Ca 0.40 -0.57 -0.18 0.00 0.48 0.00 0.00 55.95 56.08 1df0 s SER 265 Cb -0.02 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.08 1df0 s SER 265 CO 0.24 -0.11 0.48 -0.69 0.98 0.00 0.00 173.24 174.14 1df0 s VAL 266 N -1.26 5.04 -0.24 5.02 1.01 -0.71 -0.79 120.40 128.47 1df0 s VAL 266 Ca -0.05 0.16 0.10 0.00 0.00 0.00 0.00 61.98 62.20 1df0 s VAL 266 Cb -0.10 -3.96 0.22 0.00 0.00 0.00 0.00 36.38 32.54 1df0 s VAL 266 CO 0.01 -0.25 1.16 0.35 0.00 0.00 0.00 175.10 176.37 1df0 n THR 267 N 5.42 1.46 -3.63 3.92 -2.24 0.20 -4.46 114.28 114.95 1df0 n THR 267 Ca -0.06 -1.50 -0.05 0.00 -2.27 0.00 0.00 64.05 60.17 1df0 n THR 267 Cb 0.49 0.17 -0.05 0.00 -2.10 0.00 0.00 70.33 68.83 1df0 n THR 267 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1df0 s GLY 268 N -1.69 0.03 -0.23 3.38 0.00 -1.21 -4.85 107.32 102.75 1df0 s GLY 268 Ca 0.20 2.76 -0.05 0.00 0.00 0.00 0.00 44.72 47.63 1df0 s GLY 268 CO 0.05 1.32 0.45 0.00 0.00 0.00 0.00 173.10 174.92 1df0 s ALA 269 N -0.72 -1.35 0.06 3.20 0.00 -1.24 0.15 121.76 121.86 1df0 s ALA 269 Ca 0.05 1.44 0.02 0.00 0.00 0.00 0.00 51.96 53.47 1df0 s ALA 269 Cb -0.02 -1.58 -0.03 0.00 0.00 0.00 0.00 23.12 21.49 1df0 s ALA 269 CO -0.07 -1.00 -0.08 -1.21 0.00 0.00 0.00 175.76 173.40 1df0 s GLU 270 N 2.65 0.65 -0.28 0.00 2.02 0.54 -4.94 118.70 119.35 1df0 s GLU 270 Ca 0.05 -0.96 -0.03 0.00 0.02 0.00 0.00 54.97 54.05 1df0 s GLU 270 Cb -0.13 -0.31 0.03 0.00 0.10 0.00 0.00 34.13 33.81 1df0 s GLU 270 CO -0.15 0.04 -0.01 -1.21 0.02 0.00 0.00 175.26 173.95 1df0 s GLU 271 N -2.32 2.79 0.00 1.61 2.02 -1.26 0.20 118.70 121.75 1df0 s GLU 271 Ca -0.02 -1.02 0.00 0.00 0.02 0.00 0.00 54.97 53.94 1df0 s GLU 271 Cb -0.05 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 31.03 1df0 s GLU 271 CO -0.01 -0.47 0.17 1.33 0.02 0.00 0.00 175.26 176.29 1df0 n VAL 272 N 4.71 0.00 -0.77 2.63 0.24 -1.26 -5.00 118.33 118.88 1df0 n VAL 272 Ca -0.15 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.25 1df0 n VAL 272 Cb 0.46 0.98 -0.03 0.00 -1.47 0.00 0.00 33.84 33.79 1df0 n VAL 272 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1df0 n GLN 279 N 0.00 -1.53 -4.04 7.34 -0.00 -1.26 -5.11 117.38 112.79 1df0 n GLN 279 Ca 0.00 1.01 -0.31 0.00 -0.00 0.00 0.00 57.00 57.70 1df0 n GLN 279 Cb 0.38 -1.88 -0.16 0.00 -0.00 0.00 0.00 30.24 28.58 1df0 n GLN 279 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1df0 s LYS 280 N -1.72 2.29 0.01 2.61 2.47 -1.26 -4.98 119.74 119.17 1df0 s LYS 280 Ca 0.00 -0.94 0.07 0.00 -1.56 0.00 0.00 55.97 53.54 1df0 s LYS 280 Cb 0.00 -2.54 -0.02 0.00 -1.46 0.00 0.00 37.83 33.81 1df0 s LYS 280 CO 0.00 -0.41 -0.21 -1.17 0.16 0.00 0.00 175.35 173.72 1df0 s LEU 281 N 1.31 2.10 -0.09 5.43 0.20 0.54 0.14 118.68 128.31 1df0 s LEU 281 Ca -0.01 -0.45 0.04 0.00 0.69 0.00 0.00 54.13 54.39 1df0 s LEU 281 Cb -0.16 -1.05 0.00 0.00 -0.43 0.00 0.00 46.19 44.55 1df0 s LEU 281 CO -0.09 0.22 -0.20 0.27 -0.29 0.00 0.00 176.35 176.26 1df0 s ILE 282 N -0.64 1.78 -0.06 6.68 -5.25 -1.06 0.20 121.20 122.84 1df0 s ILE 282 Ca 0.08 -0.86 -0.19 0.00 -0.99 0.00 0.00 60.65 58.69 1df0 s ILE 282 Cb -0.09 -1.55 -0.05 0.00 2.95 0.00 0.00 42.46 43.73 1df0 s ILE 282 CO 0.00 0.50 0.53 -0.60 -1.79 0.00 0.00 174.94 173.59 1df0 s ARG 283 N 0.40 4.29 -0.01 0.37 3.52 0.41 -3.12 118.95 124.81 1df0 s ARG 283 Ca -0.17 0.59 0.02 0.00 -0.13 0.00 0.00 55.73 56.04 1df0 s ARG 283 Cb -0.17 -3.38 -0.03 0.00 -1.56 0.00 0.00 34.95 29.81 1df0 s ARG 283 CO 0.07 0.29 -0.03 0.42 -0.81 0.00 0.00 175.30 175.24 1df0 s ILE 284 N 0.14 3.93 -0.01 4.11 -1.09 -0.65 -0.63 121.20 127.00 1df0 s ILE 284 Ca 0.29 -0.63 0.03 0.00 -2.23 0.00 0.00 60.65 58.11 1df0 s ILE 284 Cb -0.17 -2.71 -0.01 0.00 -1.58 0.00 0.00 42.46 37.99 1df0 s ILE 284 CO 0.14 0.42 -0.11 -0.60 -1.23 0.00 0.00 174.94 173.56 1df0 s ARG 285 N -1.38 0.93 -0.34 2.79 3.00 0.03 -2.75 118.95 121.23 1df0 s ARG 285 Ca 0.17 -0.40 -0.11 0.00 -1.00 0.00 0.00 55.73 54.39 1df0 s ARG 285 Cb -0.11 -0.90 0.00 0.00 0.00 0.00 0.00 34.95 33.94 1df0 s ARG 285 CO 0.08 0.24 0.20 1.21 0.00 0.00 0.00 175.30 177.02 1df0 s ASN 286 N -0.24 5.74 0.50 -2.12 3.04 -1.23 -1.55 114.94 119.09 1df0 s ASN 286 Ca 0.04 -0.68 0.28 0.00 0.04 0.00 0.00 52.86 52.53 1df0 s ASN 286 Cb -0.05 -2.05 1.53 0.00 -1.54 0.00 0.00 41.25 39.15 1df0 s ASN 286 CO -0.00 -0.28 1.84 1.55 -3.04 0.00 0.00 177.10 177.17 1df0 h PRO 287 N 8.43 0.00 0.00 0.43 0.13 -1.92 -0.09 132.00 138.97 1df0 h PRO 287 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1df0 h PRO 287 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1df0 h PRO 287 CO 0.64 0.00 -0.57 0.91 -0.23 0.00 0.00 178.00 178.75 1df0 n TRP 288 N -2.60 0.19 -3.59 1.56 8.01 -1.26 -1.92 117.44 117.83 1df0 n TRP 288 Ca -0.02 0.06 -0.19 0.00 -1.31 0.00 0.00 57.50 56.03 1df0 n TRP 288 Cb 0.19 -0.40 0.02 0.00 -2.01 0.00 0.00 31.31 29.11 1df0 n TRP 288 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1df0 n GLY 289 N 1.44 2.57 0.22 6.99 0.00 -0.05 -4.68 105.19 111.68 1df0 n GLY 289 Ca 0.05 -2.26 0.05 0.00 0.00 0.00 0.00 46.02 43.86 1df0 n GLY 289 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1df0 n GLN 290 N -1.67 2.08 -4.09 1.61 6.02 -1.26 -4.41 117.38 115.65 1df0 n GLN 290 Ca 0.03 -0.60 -0.24 0.00 -0.01 0.00 0.00 57.00 56.17 1df0 n GLN 290 Cb 0.50 -1.08 -0.05 0.00 1.02 0.00 0.00 30.24 30.63 1df0 n GLN 290 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1df0 s GLY 322 N -1.33 1.56 0.00 1.08 0.00 -1.26 -4.99 107.32 102.38 1df0 s GLY 322 Ca 0.08 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.50 1df0 s GLY 322 CO 0.25 -1.33 0.00 1.18 0.00 0.00 0.00 173.10 173.20 1df0 n GLU 323 N -0.76 3.98 0.00 2.90 1.02 -1.26 -3.54 120.64 122.98 1df0 n GLU 323 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1df0 n GLU 323 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.98 1df0 n GLU 323 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 1df0 n PHE 324 N 0.00 0.00 -3.83 -0.32 1.16 -1.11 -5.00 117.46 108.36 1df0 n PHE 324 Ca 0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.37 1df0 n PHE 324 Cb 0.00 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 37.84 1df0 n PHE 324 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 1df0 s TRP 325 N -2.00 2.94 0.01 2.97 0.52 -1.26 -1.63 118.94 120.49 1df0 s TRP 325 Ca 0.00 -0.28 -0.28 0.00 0.02 0.00 0.00 56.10 55.56 1df0 s TRP 325 Cb 0.00 -1.76 0.08 0.00 -1.15 0.00 0.00 33.47 30.64 1df0 s TRP 325 CO 0.00 0.21 0.70 0.00 0.02 0.00 0.00 176.95 177.88 1df0 s MET 326 N -3.99 1.06 0.54 4.98 0.23 -1.18 -4.96 119.30 115.98 1df0 s MET 326 Ca 0.40 -0.04 -0.22 0.00 -1.03 0.00 0.00 55.69 54.81 1df0 s MET 326 Cb -0.06 0.50 -0.05 0.00 -1.53 0.00 0.00 34.83 33.69 1df0 s MET 326 CO 0.27 -0.39 1.35 -1.54 -2.03 0.00 0.00 175.02 172.67 1df0 s SER 327 N -1.80 5.31 0.55 -1.18 1.04 -1.26 -2.58 113.70 113.78 1df0 s SER 327 Ca -0.05 2.73 0.24 0.00 0.48 0.00 0.00 55.95 59.35 1df0 s SER 327 Cb -0.00 -2.63 1.45 0.00 0.10 0.00 0.00 66.02 64.94 1df0 s SER 327 CO 0.00 -1.54 2.08 0.15 0.98 0.00 0.00 173.24 174.91 1df0 h PHE 328 N 1.47 0.00 -0.52 5.02 3.57 0.87 -0.51 116.94 126.84 1df0 h PHE 328 Ca -0.51 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 60.98 1df0 h PHE 328 Cb 1.30 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.01 1df0 h PHE 328 CO 0.46 0.00 0.27 0.77 -2.23 0.00 0.00 178.31 177.58 1df0 h SER 329 N 0.00 0.66 -0.27 0.41 0.02 -1.88 -1.76 113.55 110.73 1df0 h SER 329 Ca 0.12 -0.11 -0.18 0.00 -0.84 0.00 0.00 61.79 60.78 1df0 h SER 329 Cb 0.53 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 1df0 h SER 329 CO -0.00 0.58 -0.53 0.44 -1.14 0.00 0.00 176.83 176.18 1df0 h ASP 330 N 0.69 0.95 -0.27 3.07 3.32 -1.47 -2.95 116.42 119.75 1df0 h ASP 330 Ca 0.18 -0.50 0.06 0.00 0.02 0.00 0.00 57.03 56.80 1df0 h ASP 330 Cb 0.08 -0.27 -0.07 0.00 0.22 0.00 0.00 39.33 39.29 1df0 h ASP 330 CO -0.03 1.29 -0.18 0.15 -1.72 0.00 0.00 179.24 178.75 1df0 h PHE 331 N 0.66 -0.46 0.00 4.55 3.04 -1.05 0.53 116.94 124.21 1df0 h PHE 331 Ca 0.02 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.00 1df0 h PHE 331 Cb 1.13 0.25 0.00 0.00 2.56 0.00 0.00 35.95 39.88 1df0 h PHE 331 CO 0.07 -0.26 0.03 -0.07 -2.02 0.00 0.00 178.31 176.06 1df0 h LEU 332 N -0.16 0.00 0.00 0.59 4.07 -1.27 -2.72 115.31 115.82 1df0 h LEU 332 Ca 0.15 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.92 1df0 h LEU 332 Cb 0.38 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.09 1df0 h LEU 332 CO -0.37 0.00 -1.86 0.54 -1.08 0.00 0.00 178.44 175.67 1df0 n ARG 333 N -2.95 1.49 -0.05 1.13 1.74 0.46 -4.72 116.66 113.76 1df0 n ARG 333 Ca -0.03 -0.04 -0.07 0.00 -0.77 0.00 0.00 57.85 56.94 1df0 n ARG 333 Cb 0.09 -1.34 -0.07 0.00 -1.02 0.00 0.00 32.46 30.12 1df0 n ARG 333 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1df0 h HIS 334 N 0.00 -0.03 -4.52 -1.55 2.76 0.07 -3.47 115.15 108.42 1df0 h HIS 334 Ca -0.28 -0.00 -0.48 0.00 -2.20 0.00 0.00 60.37 57.41 1df0 h HIS 334 Cb 1.55 0.01 0.09 0.00 1.55 0.00 0.00 27.41 30.60 1df0 h HIS 334 CO 0.00 0.47 0.41 0.71 -1.30 0.00 0.00 177.93 178.22 1df0 s TYR 335 N -2.06 3.18 0.00 5.26 1.51 -1.04 -4.87 117.35 119.33 1df0 s TYR 335 Ca -0.10 0.95 0.00 0.00 -1.01 0.00 0.00 57.07 56.91 1df0 s TYR 335 Cb -0.01 -3.22 0.00 0.00 -0.11 0.00 0.00 41.96 38.62 1df0 s TYR 335 CO 0.36 -1.41 0.21 -1.13 -1.11 0.00 0.00 175.55 172.47 1df0 n SER 336 N -3.13 0.41 -3.70 2.29 3.41 0.89 -4.82 113.62 108.97 1df0 n SER 336 Ca 0.07 -0.76 -0.11 0.00 -0.26 0.00 0.00 58.87 57.81 1df0 n SER 336 Cb 0.58 0.22 -0.10 0.00 -0.26 0.00 0.00 64.21 64.66 1df0 n SER 336 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1df0 s ARG 337 N -0.22 0.47 -0.09 4.33 1.81 -1.05 -1.53 118.95 122.66 1df0 s ARG 337 Ca 0.00 0.75 0.03 0.00 -1.72 0.00 0.00 55.73 54.79 1df0 s ARG 337 Cb 0.00 0.10 0.01 0.00 -0.45 0.00 0.00 34.95 34.61 1df0 s ARG 337 CO 0.00 -0.12 -0.18 -1.17 -0.68 0.00 0.00 175.30 173.15 1df0 s LEU 338 N 0.96 1.87 -0.12 2.53 1.98 -0.60 -1.90 118.68 123.40 1df0 s LEU 338 Ca -0.06 -0.44 0.02 0.00 -2.89 0.00 0.00 54.13 50.76 1df0 s LEU 338 Cb -0.06 -1.14 0.01 0.00 0.66 0.00 0.00 46.19 45.66 1df0 s LEU 338 CO -0.08 0.09 -0.18 -1.61 -1.89 0.00 0.00 176.35 172.68 1df0 s GLU 339 N 0.57 2.59 -0.20 1.98 2.02 0.12 -0.06 118.70 125.71 1df0 s GLU 339 Ca -0.15 -0.70 -0.02 0.00 0.02 0.00 0.00 54.97 54.12 1df0 s GLU 339 Cb -0.17 -2.15 0.00 0.00 0.10 0.00 0.00 34.13 31.92 1df0 s GLU 339 CO 0.05 -0.04 -0.11 0.42 0.02 0.00 0.00 175.26 175.60 1df0 s ILE 340 N 0.92 2.84 -0.49 -1.63 1.01 0.97 -0.75 121.20 124.07 1df0 s ILE 340 Ca -0.06 -0.67 -0.13 0.00 0.00 0.00 0.00 60.65 59.78 1df0 s ILE 340 Cb -0.15 -2.26 0.11 0.00 0.01 0.00 0.00 42.46 40.17 1df0 s ILE 340 CO -0.02 0.47 0.41 0.00 0.00 0.00 0.00 174.94 175.80 1df0 s ASN 342 N 2.97 6.53 0.42 0.00 -0.87 0.11 -1.32 114.94 122.78 1df0 s ASN 342 Ca 0.04 0.21 -0.26 0.00 -1.57 0.00 0.00 52.86 51.29 1df0 s ASN 342 Cb -0.27 -2.51 -0.08 0.00 -0.02 0.00 0.00 41.25 38.37 1df0 s ASN 342 CO 0.03 -1.24 1.31 -0.76 -2.57 0.00 0.00 177.10 173.87 1df0 s LEU 343 N 4.30 4.17 0.76 0.60 1.02 -1.26 -1.60 118.68 126.66 1df0 s LEU 343 Ca 0.42 2.67 -0.11 0.00 0.02 0.00 0.00 54.13 57.13 1df0 s LEU 343 Cb -0.09 -3.95 0.05 0.00 0.02 0.00 0.00 46.19 42.23 1df0 s LEU 343 CO 0.28 -0.93 1.08 0.42 0.02 0.00 0.00 176.35 177.22 1df0 s THR 344 N -1.27 3.49 0.32 5.49 -4.23 -1.26 -4.58 115.64 113.60 1df0 s THR 344 Ca 0.58 0.48 0.37 0.00 -1.18 0.00 0.00 61.69 61.95 1df0 s THR 344 Cb -0.38 -3.09 0.39 0.00 1.34 0.00 0.00 72.50 70.76 1df0 s THR 344 CO 0.49 -0.63 2.13 1.55 -0.54 0.00 0.00 174.62 177.62 1df0 h PRO 345 N -1.02 0.00 0.00 3.99 0.13 -1.96 -2.75 132.00 130.39 1df0 h PRO 345 Ca -0.45 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.60 1df0 h PRO 345 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1df0 h PRO 345 CO 0.54 0.00 -1.03 0.38 -0.23 0.00 0.00 178.00 177.67 1df0 h ASP 346 N 0.00 0.00 -0.78 1.44 -0.00 -1.94 -3.39 116.42 111.75 1df0 h ASP 346 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.03 57.17 1df0 h ASP 346 Cb 0.16 0.00 -0.14 0.00 -0.00 0.00 0.00 39.33 39.34 1df0 h ASP 346 CO 0.00 0.30 -0.28 0.74 -0.00 0.00 0.00 179.24 180.00 1df0 h THR 347 N 0.00 0.14 -3.65 1.15 2.02 -1.86 -3.41 112.91 107.30 1df0 h THR 347 Ca -0.07 0.00 -0.67 0.00 0.77 0.00 0.00 66.41 66.44 1df0 h THR 347 Cb 1.29 0.14 -0.18 0.00 -1.74 0.00 0.00 68.15 67.66 1df0 h THR 347 CO 0.03 0.00 -0.72 -0.76 0.37 0.00 0.00 175.52 174.43 1df0 s LEU 348 N -10.93 3.07 0.00 2.58 1.43 -1.26 -4.81 118.68 108.77 1df0 s LEU 348 Ca -0.14 -0.22 0.07 0.00 -1.03 0.00 0.00 54.13 52.81 1df0 s LEU 348 Cb 0.20 -1.78 -0.06 0.00 0.03 0.00 0.00 46.19 44.58 1df0 s LEU 348 CO 0.73 0.26 0.33 0.35 0.23 0.00 0.00 176.35 178.25 1df0 n THR 349 N 1.43 0.00 -1.61 5.49 -2.24 -1.26 -4.99 114.28 111.10 1df0 n THR 349 Ca -0.15 -0.35 -0.49 0.00 -2.27 0.00 0.00 64.05 60.78 1df0 n THR 349 Cb 0.52 1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 69.71 1df0 n THR 349 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1df0 n ASP 351 N 8.12 0.38 -2.35 0.00 3.85 -1.26 -3.86 116.55 121.42 1df0 n ASP 351 Ca 0.29 1.03 0.00 0.00 -0.71 0.00 0.00 54.79 55.40 1df0 n ASP 351 Cb 0.28 -0.80 0.00 0.00 -1.35 0.00 0.00 41.12 39.25 1df0 n ASP 351 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 1df0 n SER 352 N 2.11 -4.06 0.00 -1.12 7.64 -1.26 -4.93 113.62 112.00 1df0 n SER 352 Ca 0.21 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1df0 n SER 352 Cb 0.03 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 61.87 1df0 n SER 352 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1df0 n TYR 353 N 2.20 0.00 -2.10 1.43 4.19 -1.25 -5.10 117.16 116.52 1df0 n TYR 353 Ca 0.00 -0.01 0.00 0.00 3.31 0.00 0.00 57.90 61.20 1df0 n TYR 353 Cb 0.00 -0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 1df0 n TYR 353 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94 1df0 n LYS 354 N -0.01 -3.12 -4.42 2.98 3.00 -1.26 -3.30 118.16 112.03 1df0 n LYS 354 Ca 0.00 2.24 -0.26 0.00 -0.00 0.00 0.00 58.31 60.29 1df0 n LYS 354 Cb 0.29 -2.89 -0.09 0.00 0.00 0.00 0.00 35.03 32.34 1df0 n LYS 354 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1df0 s LYS 355 N -0.33 2.03 0.85 1.64 0.00 -1.26 -3.84 119.74 118.82 1df0 s LYS 355 Ca 0.00 -1.94 -0.13 0.00 0.00 0.00 0.00 55.97 53.90 1df0 s LYS 355 Cb 0.00 -1.80 0.11 0.00 0.00 0.00 0.00 37.83 36.14 1df0 s LYS 355 CO 0.00 0.00 1.21 -1.58 0.00 0.00 0.00 175.35 174.99 1df0 s TRP 356 N -2.62 2.57 -0.15 1.78 0.52 -1.26 -4.99 118.94 114.79 1df0 s TRP 356 Ca 0.36 0.62 -0.02 0.00 0.02 0.00 0.00 56.10 57.08 1df0 s TRP 356 Cb 0.05 -3.66 -0.02 0.00 -1.15 0.00 0.00 33.47 28.70 1df0 s TRP 356 CO 0.19 -2.01 -0.09 0.15 0.02 0.00 0.00 176.95 175.22 1df0 s LYS 357 N -5.65 3.49 0.03 4.98 -0.14 -0.91 -4.38 119.74 117.16 1df0 s LYS 357 Ca 0.65 -0.62 0.08 0.00 -1.36 0.00 0.00 55.97 54.72 1df0 s LYS 357 Cb -0.09 -2.76 -0.03 0.00 -1.68 0.00 0.00 37.83 33.27 1df0 s LYS 357 CO 0.50 0.19 -0.22 -1.17 -0.76 0.00 0.00 175.35 173.89 1df0 s LEU 358 N 0.45 2.37 0.03 3.17 2.96 -1.26 -1.59 118.68 124.81 1df0 s LEU 358 Ca -0.07 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.38 1df0 s LEU 358 Cb -0.15 -1.40 -0.02 0.00 0.50 0.00 0.00 46.19 45.11 1df0 s LEU 358 CO 0.04 0.27 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.39 1df0 s THR 359 N -0.82 0.42 -0.19 3.68 2.01 -0.66 -4.98 115.64 115.11 1df0 s THR 359 Ca 0.13 -0.90 -0.17 0.00 0.31 0.00 0.00 61.69 61.05 1df0 s THR 359 Cb -0.10 -0.49 0.05 0.00 0.01 0.00 0.00 72.50 71.97 1df0 s THR 359 CO 0.03 -0.33 0.50 -1.59 -0.69 0.00 0.00 174.62 172.54 1df0 s LYS 360 N -1.31 0.58 0.19 4.92 0.00 -1.26 -0.54 119.74 122.32 1df0 s LYS 360 Ca -0.09 0.71 0.01 0.00 0.00 0.00 0.00 55.97 56.59 1df0 s LYS 360 Cb -0.09 0.28 -0.04 0.00 0.00 0.00 0.00 37.83 37.98 1df0 s LYS 360 CO 0.00 -0.07 0.06 -1.64 0.00 0.00 0.00 175.35 173.69 1df0 s MET 361 N 0.31 1.14 0.13 1.78 -1.94 -0.10 -4.96 119.30 115.66 1df0 s MET 361 Ca -0.00 -1.58 0.07 0.00 -1.71 0.00 0.00 55.69 52.47 1df0 s MET 361 Cb -0.04 -0.06 -0.04 0.00 2.01 0.00 0.00 34.83 36.71 1df0 s MET 361 CO 0.00 -0.24 -0.15 -0.51 -0.01 0.00 0.00 175.02 174.11 1df0 s ASP 362 N -3.17 2.21 0.05 3.03 1.11 -1.26 -0.56 116.67 118.09 1df0 s ASP 362 Ca 0.29 -0.83 -0.15 0.00 0.18 0.00 0.00 52.55 52.04 1df0 s ASP 362 Cb 0.07 -0.10 0.05 0.00 1.07 0.00 0.00 42.92 44.02 1df0 s ASP 362 CO 0.07 -0.11 0.72 0.61 1.18 0.00 0.00 175.17 177.64 1df0 n GLY 363 N 0.46 0.62 3.74 0.21 0.00 -0.81 -5.00 105.19 104.41 1df0 n GLY 363 Ca -0.15 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.76 1df0 n GLY 363 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1df0 s ASN 364 N -2.65 0.06 -0.06 1.61 4.22 -1.26 -1.16 114.94 115.71 1df0 s ASN 364 Ca 0.17 -1.02 0.04 0.00 -2.14 0.00 0.00 52.86 49.90 1df0 s ASN 364 Cb -0.01 0.75 0.00 0.00 1.28 0.00 0.00 41.25 43.27 1df0 s ASN 364 CO 0.02 -1.45 -0.17 0.26 -2.04 0.00 0.00 177.10 173.72 1df0 s TRP 365 N -3.14 1.79 -0.08 1.54 0.51 -0.75 -4.60 118.94 114.23 1df0 s TRP 365 Ca 0.18 -0.61 0.00 0.00 -2.12 0.00 0.00 56.10 53.55 1df0 s TRP 365 Cb -0.04 -1.24 0.02 0.00 -0.81 0.00 0.00 33.47 31.41 1df0 s TRP 365 CO 0.11 -0.25 -0.06 1.03 -0.51 0.00 0.00 176.95 177.27 1df0 s ARG 366 N 0.31 1.19 0.01 4.98 1.81 -1.26 -2.54 118.95 123.45 1df0 s ARG 366 Ca -0.10 -0.17 -0.36 0.00 -1.72 0.00 0.00 55.73 53.37 1df0 s ARG 366 Cb -0.14 -1.22 -0.15 0.00 -0.45 0.00 0.00 34.95 32.99 1df0 s ARG 366 CO 0.04 -0.16 1.57 -2.13 -0.68 0.00 0.00 175.30 173.94 1df0 n ARG 367 N 4.49 1.60 0.00 3.54 0.63 -1.26 -1.69 116.66 123.98 1df0 n ARG 367 Ca -0.17 0.58 0.00 0.00 -0.92 0.00 0.00 57.85 57.34 1df0 n ARG 367 Cb 0.51 -2.30 0.00 0.00 0.45 0.00 0.00 32.46 31.11 1df0 n ARG 367 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1df0 n GLY 368 N 3.40 2.83 1.76 5.14 0.00 -1.26 -4.83 105.19 112.22 1df0 n GLY 368 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1df0 n GLY 368 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1df0 n SER 369 N 0.00 0.07 -0.24 1.61 3.41 -0.75 -2.78 113.62 114.94 1df0 n SER 369 Ca 0.00 0.21 0.02 0.00 -0.26 0.00 0.00 58.87 58.84 1df0 n SER 369 Cb 0.00 0.12 0.05 0.00 -0.26 0.00 0.00 64.21 64.12 1df0 n SER 369 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1df0 n THR 370 N -3.07 0.73 -2.35 6.66 -2.24 -0.68 -4.83 114.28 108.50 1df0 n THR 370 Ca 0.00 -0.87 -0.41 0.00 -2.27 0.00 0.00 64.05 60.51 1df0 n THR 370 Cb 0.06 0.66 0.01 0.00 -2.10 0.00 0.00 70.33 68.96 1df0 n THR 370 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1df0 n ALA 371 N 0.00 6.32 -0.03 6.98 0.00 -1.05 -3.71 120.51 129.03 1df0 n ALA 371 Ca 0.04 -4.37 -0.02 0.00 0.00 0.00 0.00 53.44 49.09 1df0 n ALA 371 Cb 0.26 -2.50 -0.01 0.00 0.00 0.00 0.00 19.45 17.21 1df0 n ALA 371 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1df0 n GLY 372 N 0.97 -0.59 1.13 0.00 0.00 -1.26 0.15 105.19 105.58 1df0 n GLY 372 Ca 0.52 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1df0 n GLY 372 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1df0 n GLY 373 N 1.59 0.00 0.14 -0.02 0.00 -1.26 -3.12 105.19 102.52 1df0 n GLY 373 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1df0 n GLY 373 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1df0 n ARG 375 N 2.31 -0.07 0.19 0.00 3.00 -1.26 -0.74 116.66 120.08 1df0 n ARG 375 Ca 0.00 1.32 0.00 0.00 -0.00 0.00 0.00 57.85 59.17 1df0 n ARG 375 Cb 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 32.46 30.38 1df0 n ARG 375 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1df0 n ASN 376 N -5.30 0.00 -3.36 6.15 5.03 -1.26 -1.22 115.26 115.30 1df0 n ASN 376 Ca 0.20 0.28 -0.26 0.00 0.87 0.00 0.00 54.58 55.67 1df0 n ASN 376 Cb 0.64 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.32 1df0 n ASN 376 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1df0 n TYR 377 N -1.82 2.33 -0.09 3.10 4.01 0.08 -4.95 117.16 119.81 1df0 n TYR 377 Ca 0.00 -3.96 0.20 0.00 -0.16 0.00 0.00 57.90 53.97 1df0 n TYR 377 Cb 0.76 -0.48 0.62 0.00 -0.31 0.00 0.00 39.34 39.93 1df0 n TYR 377 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1df0 h PRO 378 N 4.17 0.15 0.00 -0.72 0.13 -1.39 0.38 132.00 134.73 1df0 h PRO 378 Ca 0.16 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 65.23 1df0 h PRO 378 Cb 0.74 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 1df0 h PRO 378 CO 0.71 0.10 -0.22 -0.91 -0.23 0.00 0.00 178.00 177.45 1df0 h ASN 379 N 0.16 0.00 0.00 1.44 -0.26 -1.92 -3.35 115.58 111.65 1df0 h ASN 379 Ca 0.32 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.06 1df0 h ASN 379 Cb 1.05 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.31 1df0 h ASN 379 CO -0.05 0.22 -0.87 0.35 -1.06 0.00 0.00 177.43 176.03 1df0 n THR 380 N -4.14 0.00 -0.33 2.81 -2.24 -0.78 -4.82 114.28 104.78 1df0 n THR 380 Ca -0.02 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.94 1df0 n THR 380 Cb 0.29 -0.14 0.36 0.00 -2.10 0.00 0.00 70.33 68.74 1df0 n THR 380 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1df0 h PHE 381 N 0.00 0.23 0.00 4.78 3.57 -0.39 0.61 116.94 125.74 1df0 h PHE 381 Ca 0.00 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1df0 h PHE 381 Cb 0.38 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1df0 h PHE 381 CO 0.00 -0.40 0.00 -2.67 -2.23 0.00 0.00 178.31 173.01 1df0 n TRP 382 N -5.39 0.09 0.18 0.41 4.27 -1.26 -2.74 117.44 113.00 1df0 n TRP 382 Ca 0.26 0.04 0.09 0.00 -3.89 0.00 0.00 57.50 54.00 1df0 n TRP 382 Cb 0.87 -0.56 0.10 0.00 -1.36 0.00 0.00 31.31 30.36 1df0 n TRP 382 CO 0.00 0.00 0.00 0.52 -2.29 0.00 0.00 177.69 175.92 1df0 h MET 383 N 0.00 0.00 -6.88 -2.67 2.86 -0.08 -3.46 114.93 104.71 1df0 h MET 383 Ca 0.00 0.00 -0.43 0.00 -2.06 0.00 0.00 59.70 57.21 1df0 h MET 383 Cb 0.24 0.00 0.22 0.00 0.06 0.00 0.00 31.60 32.12 1df0 h MET 383 CO 0.00 0.16 -0.47 0.09 1.06 0.00 0.00 176.91 177.75 1df0 n ASN 384 N -3.09 -2.34 -4.76 1.22 3.02 -1.11 -4.62 115.26 103.58 1df0 n ASN 384 Ca 0.03 -0.25 -0.31 0.00 -0.03 0.00 0.00 54.58 54.02 1df0 n ASN 384 Cb 0.60 -1.09 0.10 0.00 -0.61 0.00 0.00 39.78 38.78 1df0 n ASN 384 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1df0 s PRO 385 N -4.03 2.09 0.01 3.52 0.02 -1.26 -5.04 135.00 130.30 1df0 s PRO 385 Ca 0.62 1.05 0.00 0.00 0.02 0.00 0.00 61.00 62.70 1df0 s PRO 385 Cb -0.18 -1.89 -0.01 0.00 0.02 0.00 0.00 34.50 32.44 1df0 s PRO 385 CO 0.64 -1.73 -0.01 -0.65 -0.33 0.00 0.00 177.00 174.92 1df0 s GLN 386 N -4.93 0.10 0.23 5.54 -0.21 -1.26 -4.14 119.66 114.98 1df0 s GLN 386 Ca 0.61 -0.18 0.03 0.00 0.02 0.00 0.00 55.36 55.85 1df0 s GLN 386 Cb -0.17 0.02 -0.05 0.00 1.00 0.00 0.00 33.01 33.81 1df0 s GLN 386 CO 0.56 -0.01 0.00 0.71 -2.12 0.00 0.00 175.29 174.43 1df0 s TYR 387 N -0.41 1.57 -0.06 0.91 1.51 0.59 -1.98 117.35 119.48 1df0 s TYR 387 Ca -0.04 -0.93 0.01 0.00 -1.01 0.00 0.00 57.07 55.09 1df0 s TYR 387 Cb -0.03 -0.91 0.02 0.00 -0.11 0.00 0.00 41.96 40.93 1df0 s TYR 387 CO -0.00 -0.05 -0.06 -1.17 -1.11 0.00 0.00 175.55 173.16 1df0 s LEU 388 N -3.31 1.31 -0.12 -1.29 1.98 0.22 0.12 118.68 117.60 1df0 s LEU 388 Ca 0.29 -0.18 -0.03 0.00 -2.89 0.00 0.00 54.13 51.32 1df0 s LEU 388 Cb 0.06 -0.58 -0.03 0.00 0.66 0.00 0.00 46.19 46.30 1df0 s LEU 388 CO 0.09 -0.06 0.01 -0.63 -1.89 0.00 0.00 176.35 173.87 1df0 s ILE 389 N 1.05 4.33 -0.32 6.68 -1.09 0.46 -1.61 121.20 130.69 1df0 s ILE 389 Ca -0.09 -0.23 0.03 0.00 -2.23 0.00 0.00 60.65 58.14 1df0 s ILE 389 Cb -0.14 -2.86 0.09 0.00 -1.58 0.00 0.00 42.46 37.97 1df0 s ILE 389 CO -0.00 0.56 0.04 -0.75 -1.23 0.00 0.00 174.94 173.55 1df0 s LYS 390 N -0.44 1.44 -0.19 2.79 2.20 -0.02 -0.51 119.74 125.01 1df0 s LYS 390 Ca 0.08 -1.64 -0.18 0.00 -0.36 0.00 0.00 55.97 53.87 1df0 s LYS 390 Cb -0.12 -2.94 -0.03 0.00 -1.51 0.00 0.00 37.83 33.23 1df0 s LYS 390 CO 0.02 -0.89 0.50 -0.51 -0.36 0.00 0.00 175.35 174.11 1df0 s LEU 391 N 1.07 4.16 0.00 5.43 2.01 0.20 -1.98 118.68 129.57 1df0 s LEU 391 Ca 0.08 0.67 0.00 0.00 0.01 0.00 0.00 54.13 54.88 1df0 s LEU 391 Cb -0.19 -2.68 0.00 0.00 0.01 0.00 0.00 46.19 43.33 1df0 s LEU 391 CO -0.10 -0.15 0.00 -1.84 1.01 0.00 0.00 176.35 175.27 1df0 n GLU 392 N 4.64 0.00 -1.55 1.70 0.28 -1.26 0.48 120.64 124.93 1df0 n GLU 392 Ca -0.05 0.00 -0.48 0.00 -0.16 0.00 0.00 57.16 56.47 1df0 n GLU 392 Cb 0.51 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.34 1df0 n GLU 392 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1df0 n GLU 393 N 0.00 1.01 -2.29 3.44 2.13 -1.26 -4.46 120.64 119.20 1df0 n GLU 393 Ca 0.00 0.36 -0.25 0.00 0.66 0.00 0.00 57.16 57.92 1df0 n GLU 393 Cb 0.00 -1.73 0.08 0.00 0.27 0.00 0.00 31.44 30.06 1df0 n GLU 393 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1df0 s GLU 394 N -0.86 2.02 0.40 5.31 2.02 -1.26 -4.77 118.70 121.55 1df0 s GLU 394 Ca 0.67 -0.47 -0.24 0.00 0.02 0.00 0.00 54.97 54.95 1df0 s GLU 394 Cb -0.83 -2.21 -0.09 0.00 0.10 0.00 0.00 34.13 31.11 1df0 s GLU 394 CO 0.56 -1.31 1.07 -0.51 0.02 0.00 0.00 175.26 175.09 1df0 s ASP 395 N -4.57 6.72 0.95 -0.19 1.11 0.38 -4.93 116.67 116.14 1df0 s ASP 395 Ca 0.62 2.10 -0.11 0.00 0.18 0.00 0.00 52.55 55.33 1df0 s ASP 395 Cb -0.09 -2.59 0.16 0.00 1.07 0.00 0.00 42.92 41.47 1df0 s ASP 395 CO 0.45 -0.52 1.09 -1.61 1.18 0.00 0.00 175.17 175.75 1df0 s GLU 396 N -2.43 0.79 0.87 8.23 2.02 -1.26 -4.68 118.70 122.25 1df0 s GLU 396 Ca 0.57 0.95 -0.11 0.00 0.02 0.00 0.00 54.97 56.41 1df0 s GLU 396 Cb -0.24 -1.75 0.12 0.00 0.10 0.00 0.00 34.13 32.36 1df0 s GLU 396 CO 0.30 -2.60 1.10 -0.51 0.02 0.00 0.00 175.26 173.57 1df0 s ASP 397 N -3.12 3.56 0.02 -0.19 1.01 -1.26 -4.92 116.67 111.77 1df0 s ASP 397 Ca 0.65 1.79 0.00 0.00 0.71 0.00 0.00 52.55 55.70 1df0 s ASP 397 Cb -0.20 -2.42 0.00 0.00 1.01 0.00 0.00 42.92 41.31 1df0 s ASP 397 CO 0.59 -2.63 0.00 -0.90 0.21 0.00 0.00 175.17 172.44 1df0 n ASP 398 N -3.90 -0.17 0.00 0.27 5.75 -1.26 -5.09 116.55 112.15 1df0 n ASP 398 Ca 0.09 0.44 0.00 0.00 -0.01 0.00 0.00 54.79 55.30 1df0 n ASP 398 Cb 0.53 0.56 0.00 0.00 -1.03 0.00 0.00 41.12 41.18 1df0 n ASP 398 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1df0 n GLU 399 N -2.78 0.00 -0.50 0.11 2.13 -1.26 -5.15 120.64 113.19 1df0 n GLU 399 Ca 0.00 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.54 1df0 n GLU 399 Cb 0.00 0.00 0.26 0.00 0.27 0.00 0.00 31.44 31.97 1df0 n GLU 399 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1df0 s ASP 400 N -0.65 0.80 0.00 4.31 -1.08 -1.26 -5.01 116.67 113.78 1df0 s ASP 400 Ca 0.00 1.54 0.00 0.00 -0.52 0.00 0.00 52.55 53.57 1df0 s ASP 400 Cb 0.00 -2.33 0.00 0.00 -1.46 0.00 0.00 42.92 39.13 1df0 s ASP 400 CO 0.00 -4.31 0.00 0.61 0.52 0.00 0.00 175.17 171.99 1df0 n GLY 401 N 0.93 -1.66 3.69 2.66 0.00 -1.26 -5.03 105.19 104.52 1df0 n GLY 401 Ca 0.03 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.23 1df0 n GLY 401 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1df0 s ARG 403 N 0.00 2.12 0.00 1.61 3.00 -1.26 -4.98 118.95 119.44 1df0 s ARG 403 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 55.73 53.79 1df0 s ARG 403 Cb 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 34.95 33.10 1df0 s ARG 403 CO 0.00 -0.07 0.00 0.41 0.00 0.00 0.00 175.30 175.64 1df0 n GLY 404 N -1.12 -1.35 3.10 -3.53 0.00 -1.26 -4.69 105.19 96.35 1df0 n GLY 404 Ca -0.03 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 1df0 n GLY 404 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1df0 s THR 406 N 1.32 4.62 -0.06 0.00 2.01 -1.25 -1.34 115.64 120.95 1df0 s THR 406 Ca 0.05 1.56 -0.30 0.00 0.31 0.00 0.00 61.69 63.31 1df0 s THR 406 Cb -0.13 -4.08 0.08 0.00 0.01 0.00 0.00 72.50 68.38 1df0 s THR 406 CO -0.13 0.45 0.73 0.72 -0.69 0.00 0.00 174.62 175.71 1df0 s PHE 407 N -0.60 -0.60 -0.06 4.92 -0.71 0.77 -1.93 117.98 119.76 1df0 s PHE 407 Ca 0.35 0.99 -0.02 0.00 -1.04 0.00 0.00 56.93 57.22 1df0 s PHE 407 Cb -0.21 0.43 -0.03 0.00 -1.21 0.00 0.00 43.02 41.99 1df0 s PHE 407 CO 0.23 -0.58 0.03 -0.51 -1.34 0.00 0.00 175.22 173.05 1df0 s LEU 408 N -1.28 3.69 -0.10 -1.99 1.43 0.60 -0.82 118.68 120.21 1df0 s LEU 408 Ca -0.09 0.15 -0.00 0.00 -1.03 0.00 0.00 54.13 53.16 1df0 s LEU 408 Cb -0.00 -1.94 0.02 0.00 0.03 0.00 0.00 46.19 44.30 1df0 s LEU 408 CO 0.07 0.35 -0.08 -0.69 0.23 0.00 0.00 176.35 176.24 1df0 s VAL 409 N -0.98 0.98 -0.02 -1.59 1.01 -0.43 -0.95 120.40 118.42 1df0 s VAL 409 Ca 0.16 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 61.91 1df0 s VAL 409 Cb -0.12 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 1df0 s VAL 409 CO 0.05 0.35 -0.16 -0.83 0.00 0.00 0.00 175.10 174.52 1df0 s GLY 410 N 1.56 0.82 -0.24 4.51 0.00 -0.83 -1.01 107.32 112.13 1df0 s GLY 410 Ca 0.02 -0.67 0.02 0.00 0.00 0.00 0.00 44.72 44.09 1df0 s GLY 410 CO -0.06 -0.47 -0.08 -2.27 0.00 0.00 0.00 173.10 170.22 1df0 s LEU 411 N -0.20 2.87 -0.15 0.66 2.96 -0.14 -1.53 118.68 123.16 1df0 s LEU 411 Ca 0.02 -1.22 -0.02 0.00 -0.22 0.00 0.00 54.13 52.69 1df0 s LEU 411 Cb -0.08 -1.34 -0.02 0.00 0.50 0.00 0.00 46.19 45.25 1df0 s LEU 411 CO 0.00 -0.20 -0.07 -0.51 -1.32 0.00 0.00 176.35 174.25 1df0 s ILE 412 N 1.28 3.52 -0.10 6.68 2.07 -0.99 -1.65 121.20 132.01 1df0 s ILE 412 Ca -0.06 -0.49 -0.28 0.00 -1.41 0.00 0.00 60.65 58.41 1df0 s ILE 412 Cb -0.19 -2.52 -0.02 0.00 0.13 0.00 0.00 42.46 39.86 1df0 s ILE 412 CO -0.06 0.50 0.91 0.00 -1.91 0.00 0.00 174.94 174.38 1df0 s GLN 413 N 0.45 4.42 0.97 3.50 -2.07 0.40 -2.54 119.66 124.80 1df0 s GLN 413 Ca -0.06 1.22 -0.12 0.00 -1.82 0.00 0.00 55.36 54.58 1df0 s GLN 413 Cb -0.15 -3.52 0.17 0.00 -1.09 0.00 0.00 33.01 28.42 1df0 s GLN 413 CO 0.04 -0.21 1.08 0.15 -1.32 0.00 0.00 175.29 175.03 1df0 s LYS 414 N 1.67 0.64 0.38 9.60 1.02 -0.98 -4.92 119.74 127.14 1df0 s LYS 414 Ca 0.45 0.81 -0.27 0.00 0.02 0.00 0.00 55.97 56.97 1df0 s LYS 414 Cb -0.18 -1.74 -0.10 0.00 -0.52 0.00 0.00 37.83 35.29 1df0 s LYS 414 CO 0.18 -2.66 1.38 -1.58 -0.92 0.00 0.00 175.35 171.75 1df0 s HIS 415 N -2.83 2.77 0.18 3.18 5.65 -1.26 -4.73 115.29 118.24 1df0 s HIS 415 Ca 0.65 1.32 0.11 0.00 0.25 0.00 0.00 55.06 57.38 1df0 s HIS 415 Cb -0.20 -3.82 -0.04 0.00 -1.18 0.00 0.00 32.58 27.34 1df0 s HIS 415 CO 0.59 -2.41 -0.21 1.03 -0.65 0.00 0.00 174.74 173.09 1df0 s ARG 416 N -2.08 1.65 0.20 2.88 0.52 -1.26 -4.95 118.95 115.91 1df0 s ARG 416 Ca 0.54 -1.42 -0.13 0.00 -0.52 0.00 0.00 55.73 54.19 1df0 s ARG 416 Cb -0.42 -1.94 0.24 0.00 0.52 0.00 0.00 34.95 33.34 1df0 s ARG 416 CO 0.56 0.42 1.65 0.00 0.02 0.00 0.00 175.30 177.94 1df0 h ARG 417 N 3.25 0.04 0.00 3.54 2.47 -2.02 -2.18 114.38 119.48 1df0 h ARG 417 Ca -0.47 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 1df0 h ARG 417 Cb 1.20 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.51 1df0 h ARG 417 CO 0.48 0.03 0.00 2.89 0.56 0.00 0.00 179.97 183.93 1df0 n ARG 418 N -5.35 0.95 -2.39 0.04 1.85 -1.26 -4.72 116.66 105.78 1df0 n ARG 418 Ca 0.07 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.50 1df0 n ARG 418 Cb 0.32 -1.12 -0.02 0.00 -1.05 0.00 0.00 32.46 30.58 1df0 n ARG 418 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1df0 s GLN 419 N -2.00 3.50 -0.10 2.89 -1.52 -0.82 -4.84 119.66 116.77 1df0 s GLN 419 Ca 0.11 0.73 -0.03 0.00 -1.95 0.00 0.00 55.36 54.22 1df0 s GLN 419 Cb 0.05 -4.05 -0.26 0.00 -0.22 0.00 0.00 33.01 28.54 1df0 s GLN 419 CO 0.09 -1.67 0.46 0.00 -0.25 0.00 0.00 175.29 173.91 1df0 h ARG 420 N 10.67 0.23 -5.38 2.91 2.47 -1.90 -3.48 114.38 119.90 1df0 h ARG 420 Ca -0.27 -0.39 -0.41 0.00 -1.26 0.00 0.00 59.98 57.65 1df0 h ARG 420 Cb 1.10 0.14 -0.20 0.00 -1.65 0.00 0.00 29.97 29.36 1df0 h ARG 420 CO 1.12 1.09 -0.77 0.21 0.56 0.00 0.00 179.97 182.18 1df0 s LYS 421 N -2.57 0.89 0.50 0.04 2.20 -1.26 -4.60 119.74 114.94 1df0 s LYS 421 Ca -0.18 -1.06 -0.22 0.00 -0.36 0.00 0.00 55.97 54.15 1df0 s LYS 421 Cb 0.07 -0.85 -0.08 0.00 -1.51 0.00 0.00 37.83 35.46 1df0 s LYS 421 CO 0.79 0.18 1.05 -1.33 -0.36 0.00 0.00 175.35 175.67 1df0 n MET 422 N 1.02 1.27 -0.42 4.03 2.81 -0.07 -2.33 117.12 123.44 1df0 n MET 422 Ca -0.19 0.47 0.00 0.00 -1.81 0.00 0.00 57.70 56.17 1df0 n MET 422 Cb 0.55 -2.18 0.00 0.00 -0.71 0.00 0.00 33.22 30.89 1df0 n MET 422 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1df0 n GLY 423 N 1.15 1.71 3.97 3.03 0.00 -1.25 -4.26 105.19 109.54 1df0 n GLY 423 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 1df0 n GLY 423 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1df0 s GLU 424 N -0.08 3.12 -1.07 1.61 2.02 -0.98 -4.54 118.70 118.78 1df0 s GLU 424 Ca 0.00 -0.69 -0.05 0.00 0.02 0.00 0.00 54.97 54.25 1df0 s GLU 424 Cb 0.00 -2.68 0.01 0.00 0.10 0.00 0.00 34.13 31.56 1df0 s GLU 424 CO 0.00 -0.09 0.10 -0.25 0.02 0.00 0.00 175.26 175.03 1df0 n ASP 425 N -1.87 -0.03 -4.87 -0.19 9.92 -1.26 -4.89 116.55 113.36 1df0 n ASP 425 Ca -0.00 -0.93 -0.35 0.00 -0.53 0.00 0.00 54.79 52.99 1df0 n ASP 425 Cb 0.58 -1.14 -0.05 0.00 -0.64 0.00 0.00 41.12 39.86 1df0 n ASP 425 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1df0 s MET 426 N -6.29 3.78 0.46 -1.24 1.75 -1.26 -4.92 119.30 111.57 1df0 s MET 426 Ca 0.07 0.20 -0.20 0.00 -1.25 0.00 0.00 55.69 54.51 1df0 s MET 426 Cb -0.04 -2.99 -0.10 0.00 2.84 0.00 0.00 34.83 34.54 1df0 s MET 426 CO 0.72 0.55 0.96 -1.01 -0.65 0.00 0.00 175.02 175.59 1df0 s HIS 427 N -1.40 3.34 -0.55 4.11 3.76 -1.26 -4.89 115.29 118.39 1df0 s HIS 427 Ca 0.33 1.56 -0.28 0.00 -0.15 0.00 0.00 55.06 56.53 1df0 s HIS 427 Cb -0.14 -2.84 0.03 0.00 1.11 0.00 0.00 32.58 30.74 1df0 s HIS 427 CO 0.18 -0.22 1.15 0.99 -0.85 0.00 0.00 174.74 175.99 1df0 s THR 428 N -2.31 4.11 0.47 1.30 2.01 -1.26 -4.12 115.64 115.84 1df0 s THR 428 Ca 0.61 0.94 0.06 0.00 0.31 0.00 0.00 61.69 63.61 1df0 s THR 428 Cb -0.10 -4.67 -0.00 0.00 0.01 0.00 0.00 72.50 67.74 1df0 s THR 428 CO 0.19 -1.22 0.32 0.27 -0.69 0.00 0.00 174.62 173.49 1df0 s ILE 429 N 4.71 2.08 0.00 1.82 -4.36 -0.75 -1.47 121.20 123.23 1df0 s ILE 429 Ca 0.43 -1.53 0.00 0.00 -0.26 0.00 0.00 60.65 59.29 1df0 s ILE 429 Cb -0.08 -2.61 0.00 0.00 1.25 0.00 0.00 42.46 41.02 1df0 s ILE 429 CO 0.27 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.06 1df0 n GLY 430 N -1.54 -0.82 3.48 6.27 0.00 -1.15 -2.70 105.19 108.73 1df0 n GLY 430 Ca -0.01 -1.13 -0.15 0.00 0.00 0.00 0.00 46.02 44.73 1df0 n GLY 430 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1df0 s PHE 431 N -2.00 -0.60 0.15 1.61 -0.71 -1.26 -2.46 117.98 112.71 1df0 s PHE 431 Ca 0.00 1.25 0.05 0.00 -1.04 0.00 0.00 56.93 57.19 1df0 s PHE 431 Cb 0.00 0.28 -0.04 0.00 -1.21 0.00 0.00 43.02 42.05 1df0 s PHE 431 CO 0.00 -0.45 0.08 0.20 -1.34 0.00 0.00 175.22 173.72 1df0 s GLY 432 N -0.51 1.79 -0.03 1.99 0.00 -1.15 -4.21 107.32 105.20 1df0 s GLY 432 Ca -0.06 -1.20 0.06 0.00 0.00 0.00 0.00 44.72 43.52 1df0 s GLY 432 CO 0.05 -1.21 -0.22 -0.42 0.00 0.00 0.00 173.10 171.30 1df0 s ILE 433 N -1.64 1.76 0.01 0.90 1.01 -1.26 -1.36 121.20 120.62 1df0 s ILE 433 Ca 0.29 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 60.03 1df0 s ILE 433 Cb -0.10 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 1df0 s ILE 433 CO 0.22 0.50 -0.08 -0.31 0.00 0.00 0.00 174.94 175.27 1df0 s TYR 434 N -0.40 0.69 0.22 3.97 2.02 -0.68 -2.27 117.35 120.91 1df0 s TYR 434 Ca 0.05 -0.20 -0.17 0.00 -0.37 0.00 0.00 57.07 56.38 1df0 s TYR 434 Cb -0.10 -0.43 -0.08 0.00 -0.40 0.00 0.00 41.96 40.95 1df0 s TYR 434 CO 0.00 -0.02 0.68 -1.21 -1.57 0.00 0.00 175.55 173.43 1df0 s GLU 435 N -0.47 4.12 0.00 -0.62 2.02 -1.26 0.17 118.70 122.66 1df0 s GLU 435 Ca 0.01 0.72 0.00 0.00 0.02 0.00 0.00 54.97 55.71 1df0 s GLU 435 Cb -0.04 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 31.39 1df0 s GLU 435 CO -0.00 0.37 0.00 1.33 0.02 0.00 0.00 175.26 176.98 1df0 n VAL 436 N 0.51 0.00 -1.40 2.63 0.24 -0.52 -4.88 118.33 114.91 1df0 n VAL 436 Ca -0.02 0.00 0.19 0.00 -2.04 0.00 0.00 64.34 62.47 1df0 n VAL 436 Cb 0.52 -0.41 -0.05 0.00 -1.47 0.00 0.00 33.84 32.42 1df0 n VAL 436 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1df0 n SER 449 N 0.00 -8.33 -4.36 -1.34 7.64 -1.26 -5.08 113.62 100.90 1df0 n SER 449 Ca 0.00 0.65 -0.34 0.00 1.01 0.00 0.00 58.87 60.20 1df0 n SER 449 Cb 0.00 -4.29 -0.14 0.00 -1.01 0.00 0.00 64.21 58.77 1df0 n SER 449 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1df0 s LYS 450 N -2.42 3.41 0.17 1.43 2.36 -1.26 -2.91 119.74 120.52 1df0 s LYS 450 Ca 0.00 -0.65 -0.32 0.00 -2.55 0.00 0.00 55.97 52.46 1df0 s LYS 450 Cb 0.00 -2.78 -0.10 0.00 -1.05 0.00 0.00 37.83 33.90 1df0 s LYS 450 CO 0.00 0.09 1.57 -0.80 1.55 0.00 0.00 175.35 177.75 1df0 s ASN 451 N 0.71 6.58 0.85 1.43 0.02 -1.26 -4.93 114.94 118.34 1df0 s ASN 451 Ca -0.05 2.62 -0.11 0.00 -1.02 0.00 0.00 52.86 54.30 1df0 s ASN 451 Cb -0.15 -2.59 0.10 0.00 0.02 0.00 0.00 41.25 38.62 1df0 s ASN 451 CO 0.02 -0.82 1.09 0.72 0.02 0.00 0.00 177.10 178.13 1df0 s PHE 452 N 1.14 2.53 -1.20 2.20 -0.12 -1.26 -4.81 117.98 116.46 1df0 s PHE 452 Ca 0.70 1.25 0.00 0.00 -0.05 0.00 0.00 56.93 58.83 1df0 s PHE 452 Cb -0.44 -3.13 0.00 0.00 -0.63 0.00 0.00 43.02 38.82 1df0 s PHE 452 CO 0.31 -2.10 0.05 1.19 -0.05 0.00 0.00 175.22 174.62 1df0 n PHE 453 N -3.68 0.00 -2.39 3.49 3.72 -1.26 -3.12 117.46 114.22 1df0 n PHE 453 Ca 0.07 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.07 1df0 n PHE 453 Cb 0.55 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.12 1df0 n PHE 453 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 176.76 178.18 1df0 n LEU 454 N -0.39 7.43 0.00 4.37 -0.00 -1.26 -5.00 117.00 122.15 1df0 n LEU 454 Ca 0.00 -5.19 0.00 0.00 -0.00 0.00 0.00 56.01 50.82 1df0 n LEU 454 Cb 0.00 -1.15 0.00 0.00 -0.00 0.00 0.00 43.42 42.27 1df0 n LEU 454 CO 0.00 1.96 0.00 0.41 -0.00 0.00 0.00 177.39 179.76 1df0 n THR 455 N -0.08 0.00 0.00 1.47 -1.04 -1.18 -5.14 114.28 108.31 1df0 n THR 455 Ca 0.50 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.51 1df0 n THR 455 Cb 0.26 -1.57 0.00 0.00 -1.82 0.00 0.00 70.33 67.20 1df0 n THR 455 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1df0 n GLU 460 N -0.48 0.00 0.00 -2.82 0.28 -0.96 -5.17 120.64 111.49 1df0 n GLU 460 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1df0 n GLU 460 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1df0 n GLU 460 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 1df0 n ARG 461 N 0.00 0.00 0.00 3.44 1.85 -1.26 -4.91 116.66 115.78 1df0 n ARG 461 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1df0 n ARG 461 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1df0 n ARG 461 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1df0 n SER 462 N 0.00 0.00 0.00 2.89 7.64 -1.26 -4.90 113.62 117.99 1df0 n SER 462 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1df0 n SER 462 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1df0 n SER 462 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1df0 n ASP 463 N -3.42 -1.52 -2.89 6.43 10.43 -1.26 -4.92 116.55 119.41 1df0 n ASP 463 Ca 0.00 0.00 -0.07 0.00 2.57 0.00 0.00 54.79 57.29 1df0 n ASP 463 Cb 0.00 0.00 0.01 0.00 1.84 0.00 0.00 41.12 42.97 1df0 n ASP 463 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 1df0 n THR 464 N 0.00-10.10 -3.79 -3.53 -2.24 -1.26 -4.17 114.28 89.18 1df0 n THR 464 Ca 0.00 1.19 -0.30 0.00 -2.27 0.00 0.00 64.05 62.67 1df0 n THR 464 Cb 0.00 -6.46 -0.14 0.00 -2.10 0.00 0.00 70.33 61.63 1df0 n THR 464 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1df0 s PHE 465 N -1.97 2.32 0.29 4.78 0.08 -1.26 -4.34 117.98 117.89 1df0 s PHE 465 Ca 0.14 -2.46 0.11 0.00 0.12 0.00 0.00 56.93 54.84 1df0 s PHE 465 Cb -0.03 -2.12 -0.05 0.00 -0.57 0.00 0.00 43.02 40.24 1df0 s PHE 465 CO 0.72 -0.82 -0.18 0.96 -0.10 0.00 0.00 175.22 175.80 1df0 s ILE 466 N 0.61 2.42 -1.21 0.64 -0.00 -1.10 -4.82 121.20 117.74 1df0 s ILE 466 Ca 0.15 -2.36 -0.09 0.00 -0.00 0.00 0.00 60.65 58.34 1df0 s ILE 466 Cb -0.22 -2.38 0.20 0.00 -0.00 0.00 0.00 42.46 40.06 1df0 s ILE 466 CO -0.06 -0.36 1.64 -0.46 -0.00 0.00 0.00 174.94 175.70 1df0 n ASN 467 N -0.66 5.42 -4.46 4.36 6.94 -1.26 -1.81 115.26 123.80 1df0 n ASN 467 Ca -0.05 -3.14 -0.27 0.00 -0.02 0.00 0.00 54.58 51.11 1df0 n ASN 467 Cb 0.61 -1.45 -0.11 0.00 -2.36 0.00 0.00 39.78 36.47 1df0 n ASN 467 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1df0 s LEU 468 N -0.37 2.55 0.03 -4.53 1.43 -1.26 -4.83 118.68 111.70 1df0 s LEU 468 Ca 0.38 -0.81 0.12 0.00 -1.03 0.00 0.00 54.13 52.79 1df0 s LEU 468 Cb 0.04 -1.28 0.50 0.00 0.03 0.00 0.00 46.19 45.49 1df0 s LEU 468 CO 0.02 0.12 1.37 -2.11 0.23 0.00 0.00 176.35 175.97 1df0 n ARG 469 N 0.20 0.02 -3.74 1.70 -4.01 -1.26 -4.64 116.66 104.93 1df0 n ARG 469 Ca -0.12 0.34 -0.13 0.00 -1.04 0.00 0.00 57.85 56.90 1df0 n ARG 469 Cb 0.56 -1.55 -0.10 0.00 -3.04 0.00 0.00 32.46 28.33 1df0 n ARG 469 CO 0.00 0.00 0.00 -2.00 -3.04 0.00 0.00 177.63 172.59 1df0 s GLU 470 N -3.04 0.47 -0.12 2.89 2.12 -1.26 -0.45 118.70 119.31 1df0 s GLU 470 Ca 0.05 0.50 0.03 0.00 0.36 0.00 0.00 54.97 55.90 1df0 s GLU 470 Cb 0.07 0.23 0.01 0.00 0.26 0.00 0.00 34.13 34.70 1df0 s GLU 470 CO 0.20 -0.06 -0.20 0.14 -0.54 0.00 0.00 175.26 174.80 1df0 s VAL 471 N 0.10 1.85 -0.03 3.70 -7.23 -0.66 -4.96 120.40 113.17 1df0 s VAL 471 Ca -0.01 -0.86 0.04 0.00 -1.81 0.00 0.00 61.98 59.34 1df0 s VAL 471 Cb -0.03 -1.64 -0.00 0.00 0.56 0.00 0.00 36.38 35.27 1df0 s VAL 471 CO 0.01 0.51 -0.15 -0.22 -0.31 0.00 0.00 175.10 174.94 1df0 s LEU 472 N 0.78 1.90 0.01 1.32 1.98 -1.26 -0.96 118.68 122.45 1df0 s LEU 472 Ca -0.09 -0.30 0.04 0.00 -2.89 0.00 0.00 54.13 50.89 1df0 s LEU 472 Cb -0.16 -0.83 -0.01 0.00 0.66 0.00 0.00 46.19 45.85 1df0 s LEU 472 CO 0.00 0.14 -0.11 0.20 -1.89 0.00 0.00 176.35 174.69 1df0 s ASN 473 N -0.01 1.33 -0.07 3.68 0.01 -0.18 -4.98 114.94 114.72 1df0 s ASN 473 Ca -0.02 -0.27 -0.04 0.00 -0.71 0.00 0.00 52.86 51.82 1df0 s ASN 473 Cb -0.10 -0.12 -0.04 0.00 0.41 0.00 0.00 41.25 41.40 1df0 s ASN 473 CO 0.01 0.09 0.12 -0.60 -1.51 0.00 0.00 177.10 175.21 1df0 s ARG 474 N -0.53 3.30 0.03 -0.60 3.52 -1.26 -1.32 118.95 122.09 1df0 s ARG 474 Ca 0.03 -0.28 -0.06 0.00 -0.13 0.00 0.00 55.73 55.29 1df0 s ARG 474 Cb -0.05 -3.05 -0.01 0.00 -1.56 0.00 0.00 34.95 30.28 1df0 s ARG 474 CO 0.00 0.72 0.12 -0.06 -0.81 0.00 0.00 175.30 175.27 1df0 s PHE 475 N -1.10 0.14 -0.17 5.12 0.40 -0.01 -5.00 117.98 117.36 1df0 s PHE 475 Ca 0.19 -0.37 -0.05 0.00 -0.60 0.00 0.00 56.93 56.10 1df0 s PHE 475 Cb -0.12 -0.10 0.06 0.00 0.51 0.00 0.00 43.02 43.37 1df0 s PHE 475 CO 0.09 -0.35 0.08 0.21 0.70 0.00 0.00 175.22 175.95 1df0 s LYS 476 N -2.25 0.15 0.14 0.44 2.20 -1.23 -0.17 119.74 119.02 1df0 s LYS 476 Ca -0.08 -0.12 0.05 0.00 -0.36 0.00 0.00 55.97 55.46 1df0 s LYS 476 Cb -0.03 -1.84 -0.04 0.00 -1.51 0.00 0.00 37.83 34.41 1df0 s LYS 476 CO -0.03 -0.66 -0.11 -0.51 -0.36 0.00 0.00 175.35 173.68 1df0 s LEU 477 N 2.10 2.49 0.31 5.43 1.43 -0.45 -4.68 118.68 125.31 1df0 s LEU 477 Ca 0.02 -0.95 -0.29 0.00 -1.03 0.00 0.00 54.13 51.88 1df0 s LEU 477 Cb -0.16 -0.42 -0.10 0.00 0.03 0.00 0.00 46.19 45.54 1df0 s LEU 477 CO -0.09 -0.27 1.31 -2.16 0.23 0.00 0.00 176.35 175.38 1df0 s PRO 478 N -3.40 4.36 0.21 1.29 0.04 -1.26 0.14 135.00 136.38 1df0 s PRO 478 Ca 0.14 2.19 -0.31 0.00 0.04 0.00 0.00 61.00 63.06 1df0 s PRO 478 Cb -0.00 -3.09 -0.15 0.00 0.04 0.00 0.00 34.50 31.30 1df0 s PRO 478 CO 0.02 -0.20 1.11 -0.35 0.04 0.00 0.00 177.00 177.62 1df0 n PRO 479 N 1.15 1.23 -3.08 0.56 -0.04 -1.26 -4.85 135.00 128.70 1df0 n PRO 479 Ca 0.01 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 1df0 n PRO 479 Cb 0.42 -1.89 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 1df0 n PRO 479 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1df0 n GLY 480 N 1.80 -0.52 3.30 0.55 0.00 0.18 -4.96 105.19 105.54 1df0 n GLY 480 Ca 0.13 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 1df0 n GLY 480 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1df0 s GLU 481 N -1.57 3.23 0.17 1.61 2.02 -1.26 -0.63 118.70 122.27 1df0 s GLU 481 Ca 0.00 -0.78 0.08 0.00 0.02 0.00 0.00 54.97 54.30 1df0 s GLU 481 Cb 0.00 -2.48 -0.04 0.00 0.10 0.00 0.00 34.13 31.71 1df0 s GLU 481 CO 0.00 0.19 -0.18 0.71 0.02 0.00 0.00 175.26 176.00 1df0 s TYR 482 N 0.37 1.78 -0.24 1.61 2.02 0.34 -1.44 117.35 121.79 1df0 s TYR 482 Ca -0.14 -0.48 -0.02 0.00 -0.37 0.00 0.00 57.07 56.05 1df0 s TYR 482 Cb -0.17 -0.88 0.01 0.00 -0.40 0.00 0.00 41.96 40.52 1df0 s TYR 482 CO 0.07 0.32 -0.06 0.08 -1.57 0.00 0.00 175.55 174.39 1df0 s VAL 483 N -2.16 3.03 -0.18 0.71 1.01 0.45 -0.40 120.40 122.86 1df0 s VAL 483 Ca 0.16 -0.83 -0.19 0.00 0.00 0.00 0.00 61.98 61.12 1df0 s VAL 483 Cb -0.05 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1df0 s VAL 483 CO 0.06 0.29 0.54 -0.22 0.00 0.00 0.00 175.10 175.77 1df0 s LEU 484 N 1.38 4.18 -0.53 3.92 1.98 0.33 -1.68 118.68 128.26 1df0 s LEU 484 Ca 0.03 0.75 0.04 0.00 -2.89 0.00 0.00 54.13 52.06 1df0 s LEU 484 Cb -0.16 -2.75 0.14 0.00 0.66 0.00 0.00 46.19 44.08 1df0 s LEU 484 CO -0.04 -0.15 0.29 -0.69 -1.89 0.00 0.00 176.35 173.86 1df0 s VAL 485 N 1.43 2.47 0.61 1.68 1.01 -0.46 -0.30 120.40 126.84 1df0 s VAL 485 Ca 0.26 -3.35 -0.17 0.00 0.00 0.00 0.00 61.98 58.71 1df0 s VAL 485 Cb -0.15 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 1df0 s VAL 485 CO 0.10 -0.84 1.14 -2.16 0.00 0.00 0.00 175.10 173.34 1df0 s PRO 486 N -0.36 2.99 0.05 2.72 0.04 -1.26 -2.95 135.00 136.23 1df0 s PRO 486 Ca 0.18 1.57 -0.27 0.00 0.04 0.00 0.00 61.00 62.51 1df0 s PRO 486 Cb -0.23 -1.96 0.10 0.00 0.04 0.00 0.00 34.50 32.45 1df0 s PRO 486 CO -0.02 -1.13 1.19 -1.54 0.04 0.00 0.00 177.00 175.53 1df0 s SER 487 N -2.08 -0.05 0.43 6.66 1.04 -1.03 -4.53 113.70 114.14 1df0 s SER 487 Ca 0.71 -0.30 0.05 0.00 0.48 0.00 0.00 55.95 56.90 1df0 s SER 487 Cb -0.24 0.27 0.01 0.00 0.10 0.00 0.00 66.02 66.17 1df0 s SER 487 CO 0.35 -0.53 0.60 -0.89 0.98 0.00 0.00 173.24 173.75 1df0 s THR 488 N -2.41 3.28 -0.01 2.02 2.01 -1.26 -2.92 115.64 116.34 1df0 s THR 488 Ca 0.19 -0.88 -0.05 0.00 0.31 0.00 0.00 61.69 61.27 1df0 s THR 488 Cb 0.01 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 1df0 s THR 488 CO -0.00 -0.07 0.46 0.15 -0.69 0.00 0.00 174.62 174.47 1df0 h PHE 489 N 0.55 -0.16 -4.06 4.92 3.04 -1.50 -3.34 116.94 116.39 1df0 h PHE 489 Ca -0.42 -0.00 -0.44 0.00 3.98 0.00 0.00 57.97 61.08 1df0 h PHE 489 Cb 1.28 0.05 -0.02 0.00 2.56 0.00 0.00 35.95 39.82 1df0 h PHE 489 CO 0.40 -0.10 0.34 -1.21 -2.02 0.00 0.00 178.31 175.73 1df0 s GLU 490 N -2.27 4.21 0.94 1.11 2.02 -1.26 -4.37 118.70 119.08 1df0 s GLU 490 Ca -0.03 1.14 -0.15 0.00 0.02 0.00 0.00 54.97 55.95 1df0 s GLU 490 Cb 0.00 -2.19 0.18 0.00 0.10 0.00 0.00 34.13 32.22 1df0 s GLU 490 CO 0.08 -0.05 1.29 -1.25 0.02 0.00 0.00 175.26 175.35 1df0 s PRO 491 N -3.15 0.83 -0.85 0.39 0.04 -1.18 -4.46 135.00 126.62 1df0 s PRO 491 Ca 0.62 -0.29 -0.02 0.00 0.04 0.00 0.00 61.00 61.35 1df0 s PRO 491 Cb -0.10 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1df0 s PRO 491 CO 0.14 -2.31 0.26 0.72 0.04 0.00 0.00 177.00 175.86 1df0 n HIS 492 N -3.72 -0.95 -4.79 0.56 8.25 0.39 -4.98 115.22 109.99 1df0 n HIS 492 Ca 0.14 0.23 -0.31 0.00 -0.26 0.00 0.00 57.72 57.51 1df0 n HIS 492 Cb 0.60 -2.81 -0.17 0.00 1.12 0.00 0.00 29.99 28.73 1df0 n HIS 492 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1df0 s LYS 493 N -5.03 2.80 0.20 -0.41 1.02 -1.26 -4.71 119.74 112.34 1df0 s LYS 493 Ca 0.13 -0.78 -0.30 0.00 0.02 0.00 0.00 55.97 55.04 1df0 s LYS 493 Cb -0.06 -2.23 -0.08 0.00 -0.52 0.00 0.00 37.83 34.94 1df0 s LYS 493 CO 0.16 0.04 0.95 -0.80 -0.92 0.00 0.00 175.35 174.77 1df0 s ASN 494 N 0.70 7.60 -0.15 2.83 0.02 -1.26 -4.43 114.94 120.25 1df0 s ASN 494 Ca -0.11 1.90 -0.34 0.00 -1.02 0.00 0.00 52.86 53.29 1df0 s ASN 494 Cb -0.16 -2.60 0.13 0.00 0.02 0.00 0.00 41.25 38.64 1df0 s ASN 494 CO 0.02 0.09 1.23 -0.83 0.02 0.00 0.00 177.10 177.63 1df0 s GLY 495 N -0.79 -0.32 0.42 0.66 0.00 -1.05 -5.00 107.32 101.24 1df0 s GLY 495 Ca 0.43 1.38 0.06 0.00 0.00 0.00 0.00 44.72 46.59 1df0 s GLY 495 CO 0.31 0.43 0.06 0.99 0.00 0.00 0.00 173.10 174.90 1df0 s ASP 496 N -2.38 4.07 0.08 1.64 -0.00 -1.26 -1.81 116.67 117.01 1df0 s ASP 496 Ca 0.11 -1.32 -0.27 0.00 -0.00 0.00 0.00 52.55 51.06 1df0 s ASP 496 Cb 0.00 -0.30 0.08 0.00 -0.00 0.00 0.00 42.92 42.71 1df0 s ASP 496 CO -0.04 -0.53 1.04 0.72 -0.00 0.00 0.00 175.17 176.36 1df0 s PHE 497 N -2.70 -0.13 -0.01 4.23 -0.71 -0.31 -2.32 117.98 116.04 1df0 s PHE 497 Ca 0.33 -0.10 0.01 0.00 -1.04 0.00 0.00 56.93 56.14 1df0 s PHE 497 Cb 0.07 0.60 -0.00 0.00 -1.21 0.00 0.00 43.02 42.48 1df0 s PHE 497 CO 0.18 -0.64 -0.04 0.00 -1.34 0.00 0.00 175.22 173.38 1df0 s ILE 499 N 0.01 2.13 0.08 0.00 1.01 0.28 -2.34 121.20 122.37 1df0 s ILE 499 Ca 0.00 -1.06 0.06 0.00 0.00 0.00 0.00 60.65 59.65 1df0 s ILE 499 Cb -0.03 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 1df0 s ILE 499 CO -0.00 0.58 -0.16 -0.13 0.00 0.00 0.00 174.94 175.23 1df0 s ARG 500 N -0.44 0.91 -0.10 2.79 0.52 -0.58 -0.93 118.95 121.12 1df0 s ARG 500 Ca 0.05 -1.02 -0.00 0.00 -0.52 0.00 0.00 55.73 54.23 1df0 s ARG 500 Cb -0.11 -0.97 0.02 0.00 0.52 0.00 0.00 34.95 34.41 1df0 s ARG 500 CO 0.01 0.22 -0.06 0.08 0.02 0.00 0.00 175.30 175.57 1df0 s VAL 501 N -1.31 0.84 -0.11 3.52 1.01 0.30 -1.97 120.40 122.69 1df0 s VAL 501 Ca 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 1df0 s VAL 501 Cb -0.10 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1df0 s VAL 501 CO 0.03 0.33 -0.05 -0.36 0.00 0.00 0.00 175.10 175.05 1df0 s PHE 502 N 1.67 3.00 0.03 5.22 0.08 -0.12 -1.65 117.98 126.22 1df0 s PHE 502 Ca 0.03 -0.11 -0.07 0.00 0.12 0.00 0.00 56.93 56.90 1df0 s PHE 502 Cb -0.13 -1.83 -0.00 0.00 -0.57 0.00 0.00 43.02 40.48 1df0 s PHE 502 CO -0.06 0.17 0.13 -1.54 -0.10 0.00 0.00 175.22 173.82 1df0 s SER 503 N -0.27 0.11 0.09 1.36 1.04 -0.62 0.22 113.70 115.63 1df0 s SER 503 Ca 0.04 -0.44 -0.27 0.00 0.48 0.00 0.00 55.95 55.76 1df0 s SER 503 Cb -0.13 0.24 -0.15 0.00 0.10 0.00 0.00 66.02 66.09 1df0 s SER 503 CO 0.02 -0.50 1.68 -0.33 0.98 0.00 0.00 173.24 175.09 1df0 h GLU 504 N 3.69 -0.41 -6.04 4.02 4.39 -1.72 -2.41 114.58 116.10 1df0 h GLU 504 Ca -0.32 0.03 -0.56 0.00 0.34 0.00 0.00 59.36 58.85 1df0 h GLU 504 Cb 1.19 0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 29.85 1df0 h GLU 504 CO 0.48 -0.28 -0.54 0.15 -1.16 0.00 0.00 179.01 177.66 1df0 s LYS 505 N -6.12 2.28 0.01 2.33 3.01 -1.26 -4.64 119.74 115.35 1df0 s LYS 505 Ca -0.15 -1.65 -0.35 0.00 -1.01 0.00 0.00 55.97 52.81 1df0 s LYS 505 Cb 0.06 -2.09 -0.14 0.00 -1.01 0.00 0.00 37.83 34.65 1df0 s LYS 505 CO 0.64 0.06 1.69 1.63 0.51 0.00 0.00 175.35 179.88 1df0 n LYS 506 N -1.13 1.95 -4.38 1.68 4.76 -1.26 -4.82 118.16 114.96 1df0 n LYS 506 Ca -0.03 0.71 -0.21 0.00 -2.87 0.00 0.00 58.31 55.91 1df0 n LYS 506 Cb 0.62 -2.49 -0.10 0.00 -1.84 0.00 0.00 35.03 31.22 1df0 n LYS 506 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1df0 s ALA 507 N 2.38 2.24 -0.11 7.82 0.00 -1.26 -4.40 121.76 128.43 1df0 s ALA 507 Ca 0.87 -1.68 0.01 0.00 0.00 0.00 0.00 51.96 51.16 1df0 s ALA 507 Cb -0.75 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 1df0 s ALA 507 CO 0.47 0.18 -0.15 -0.51 0.00 0.00 0.00 175.76 175.75 1df0 s ASP 508 N -3.19 3.87 0.24 0.00 -0.00 -0.84 -4.94 116.67 111.81 1df0 s ASP 508 Ca 0.23 -0.34 0.05 0.00 -0.00 0.00 0.00 52.55 52.49 1df0 s ASP 508 Cb -0.03 -1.44 -0.03 0.00 -0.00 0.00 0.00 42.92 41.41 1df0 s ASP 508 CO 0.09 0.20 0.32 -0.72 -0.00 0.00 0.00 175.17 175.06 1df0 s TYR 509 N 0.16 3.39 -0.29 4.23 -0.85 -1.26 -0.84 117.35 121.89 1df0 s TYR 509 Ca -0.08 -0.03 -0.24 0.00 -0.52 0.00 0.00 57.07 56.20 1df0 s TYR 509 Cb -0.15 -1.54 0.15 0.00 0.38 0.00 0.00 41.96 40.79 1df0 s TYR 509 CO 0.05 0.46 1.16 -1.14 -1.52 0.00 0.00 175.55 174.56 1df0 s GLN 510 N -3.91 0.34 0.35 -3.49 0.74 -0.64 -4.98 119.66 108.07 1df0 s GLN 510 Ca 0.34 0.43 -0.23 0.00 0.05 0.00 0.00 55.36 55.95 1df0 s GLN 510 Cb -0.09 0.15 -0.10 0.00 1.10 0.00 0.00 33.01 34.08 1df0 s GLN 510 CO 0.28 -0.04 0.91 -0.08 -0.55 0.00 0.00 175.29 175.81 1df0 s THR 511 N 0.32 4.34 -0.36 -0.34 -1.32 -1.26 0.72 115.64 117.73 1df0 s THR 511 Ca 0.03 1.60 0.01 0.00 -1.21 0.00 0.00 61.69 62.12 1df0 s THR 511 Cb -0.05 -3.82 0.10 0.00 -1.51 0.00 0.00 72.50 67.22 1df0 s THR 511 CO -0.10 -0.04 0.10 0.54 -2.21 0.00 0.00 174.62 172.91 1df0 s VAL 512 N -1.84 2.64 0.16 5.08 0.11 -0.84 -4.81 120.40 120.91 1df0 s VAL 512 Ca 0.54 -2.22 -0.17 0.00 -2.93 0.00 0.00 61.98 57.21 1df0 s VAL 512 Cb -0.14 -2.88 0.03 0.00 -1.53 0.00 0.00 36.38 31.86 1df0 s VAL 512 CO 0.19 -0.61 0.46 -0.62 -3.33 0.00 0.00 175.10 171.19 1df0 s ASP 513 N 1.23 -0.24 0.14 3.54 3.68 -1.15 -4.43 116.67 119.44 1df0 s ASP 513 Ca 0.09 -0.42 -0.31 0.00 2.13 0.00 0.00 52.55 54.04 1df0 s ASP 513 Cb -0.20 0.53 -0.09 0.00 -1.45 0.00 0.00 42.92 41.71 1df0 s ASP 513 CO -0.07 -0.96 1.47 -1.81 0.13 0.00 0.00 175.17 173.94 1df0 s ASP 514 N -2.85 6.71 0.55 -0.34 -0.00 -1.26 -3.99 116.67 115.49 1df0 s ASP 514 Ca 0.07 2.47 -0.11 0.00 -0.00 0.00 0.00 52.55 54.97 1df0 s ASP 514 Cb 0.00 -2.59 -0.05 0.00 -0.00 0.00 0.00 42.92 40.28 1df0 s ASP 514 CO -0.07 -0.73 0.96 -1.61 -0.00 0.00 0.00 175.17 173.72 1df0 s GLU 515 N 1.09 3.70 0.17 8.23 0.41 -1.26 -3.51 118.70 127.53 1df0 s GLU 515 Ca 0.67 0.69 -0.32 0.00 -0.41 0.00 0.00 54.97 55.61 1df0 s GLU 515 Cb -0.40 -2.17 -0.11 0.00 -1.78 0.00 0.00 34.13 29.67 1df0 s GLU 515 CO 0.31 -0.39 1.66 0.42 -0.49 0.00 0.00 175.26 176.77 1df0 s ILE 516 N -2.90 2.42 -0.21 -1.63 1.01 -1.26 -4.35 121.20 114.28 1df0 s ILE 516 Ca 0.54 0.25 -0.17 0.00 0.00 0.00 0.00 60.65 61.28 1df0 s ILE 516 Cb -0.11 -3.16 0.06 0.00 0.01 0.00 0.00 42.46 39.26 1df0 s ILE 516 CO 0.45 0.02 0.55 -0.70 0.00 0.00 0.00 174.94 175.26 1df0 s GLU 517 N 1.42 0.61 -0.12 2.79 2.12 0.57 -4.97 118.70 121.12 1df0 s GLU 517 Ca 0.73 0.86 -0.02 0.00 0.36 0.00 0.00 54.97 56.90 1df0 s GLU 517 Cb -0.46 0.22 0.04 0.00 0.26 0.00 0.00 34.13 34.19 1df0 s GLU 517 CO 0.32 -0.11 0.01 0.00 -0.54 0.00 0.00 175.26 174.95 1df0 s ALA 518 N 0.75 0.86 -0.48 6.30 0.00 -1.25 -0.96 121.76 126.98 1df0 s ALA 518 Ca -0.04 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.57 1df0 s ALA 518 Cb -0.05 -0.93 0.14 0.00 0.00 0.00 0.00 23.12 22.28 1df0 s ALA 518 CO -0.06 -0.75 0.28 -0.80 0.00 0.00 0.00 175.76 174.44 1df0 s ASN 519 N 1.91 3.71 -0.04 0.00 0.01 0.18 -5.01 114.94 115.70 1df0 s ASN 519 Ca 0.03 -2.87 -0.17 0.00 -0.71 0.00 0.00 52.86 49.14 1df0 s ASN 519 Cb -0.14 -1.15 -0.05 0.00 0.41 0.00 0.00 41.25 40.32 1df0 s ASN 519 CO -0.07 -0.23 0.45 -0.63 -1.51 0.00 0.00 177.10 175.12 1df0 s ILE 520 N 0.01 5.06 -0.16 0.60 1.09 -1.26 -4.29 121.20 122.25 1df0 s ILE 520 Ca 0.20 0.92 -0.29 0.00 -1.10 0.00 0.00 60.65 60.38 1df0 s ILE 520 Cb -0.20 -3.78 -0.04 0.00 -1.06 0.00 0.00 42.46 37.39 1df0 s ILE 520 CO -0.04 0.47 1.65 -1.61 -0.10 0.00 0.00 174.94 175.31 1df0 s GLU 521 N -0.34 3.92 -0.69 2.79 2.02 -1.26 -4.96 118.70 120.17 1df0 s GLU 521 Ca 0.25 1.88 -0.19 0.00 0.02 0.00 0.00 54.97 56.92 1df0 s GLU 521 Cb -0.16 -4.03 0.11 0.00 0.10 0.00 0.00 34.13 30.15 1df0 s GLU 521 CO 0.12 -1.15 0.85 -1.21 0.02 0.00 0.00 175.26 173.90 1df0 s GLU 522 N 4.49 3.21 0.56 1.61 0.41 -1.26 -5.03 118.70 122.69 1df0 s GLU 522 Ca 0.73 -1.37 -0.20 0.00 -0.41 0.00 0.00 54.97 53.72 1df0 s GLU 522 Cb -0.28 -4.39 -0.04 0.00 -1.78 0.00 0.00 34.13 27.63 1df0 s GLU 522 CO 0.29 -1.64 1.23 0.42 -0.49 0.00 0.00 175.26 175.07 1df0 s ILE 523 N 2.84 2.61 -0.66 -1.63 1.09 -1.26 -4.98 121.20 119.20 1df0 s ILE 523 Ca 0.19 0.41 0.05 0.00 -1.10 0.00 0.00 60.65 60.19 1df0 s ILE 523 Cb -0.18 -3.18 0.30 0.00 -1.06 0.00 0.00 42.46 38.34 1df0 s ILE 523 CO 0.03 -0.06 0.94 0.00 -0.10 0.00 0.00 174.94 175.76 1df0 n ALA 525 N -1.31 4.52 0.00 9.38 0.00 -1.26 -5.01 120.51 126.84 1df0 n ALA 525 Ca 0.12 -4.74 0.00 0.00 0.00 0.00 0.00 53.44 48.82 1df0 n ALA 525 Cb 0.49 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1df0 n ALA 525 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1df0 n ASN 526 N 0.35 0.00 -0.97 0.00 4.13 -1.26 -4.83 115.26 112.69 1df0 n ASN 526 Ca 0.31 0.00 0.01 0.00 1.68 0.00 0.00 54.58 56.58 1df0 n ASN 526 Cb 0.39 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.63 1df0 n ASN 526 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1df0 n GLU 527 N -0.11 -0.17 0.00 3.52 0.28 -1.26 -4.73 120.64 118.16 1df0 n GLU 527 Ca 0.00 0.11 0.00 0.00 -0.16 0.00 0.00 57.16 57.11 1df0 n GLU 527 Cb 0.00 -0.21 0.00 0.00 1.43 0.00 0.00 31.44 32.66 1df0 n GLU 527 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1df0 n GLU 528 N -2.02 -1.02 0.00 3.44 0.28 -1.26 -4.51 120.64 115.55 1df0 n GLU 528 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1df0 n GLU 528 Cb 0.04 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.91 1df0 n GLU 528 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1df0 n ASP 529 N -2.18 0.00 -2.01 -1.84 3.85 -1.26 -5.03 116.55 108.08 1df0 n ASP 529 Ca 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.08 1df0 n ASP 529 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 1df0 n ASP 529 CO 0.00 0.00 0.00 -0.38 -1.01 0.00 0.00 177.20 175.81 1df0 n ILE 530 N 0.00-11.27 -0.43 2.12 5.41 -1.26 -4.95 119.36 108.98 1df0 n ILE 530 Ca 0.00 2.61 -0.29 0.00 1.00 0.00 0.00 62.75 66.07 1df0 n ILE 530 Cb 0.00 -5.36 0.28 0.00 -0.71 0.00 0.00 39.64 33.84 1df0 n ILE 530 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1df0 s GLY 531 N -0.47 1.47 -0.09 7.39 0.00 -1.26 -4.86 107.32 109.50 1df0 s GLY 531 Ca 0.00 -0.46 -0.24 0.00 0.00 0.00 0.00 44.72 44.03 1df0 s GLY 531 CO 0.00 0.41 0.82 -1.80 0.00 0.00 0.00 173.10 172.53 1df0 h ASP 532 N -3.07 -0.05 0.12 1.64 3.58 -1.99 -2.63 116.42 114.02 1df0 h ASP 532 Ca -0.54 -0.64 0.01 0.00 0.42 0.00 0.00 57.03 56.28 1df0 h ASP 532 Cb 1.34 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 42.38 1df0 h ASP 532 CO 0.40 0.69 -0.19 1.23 -2.88 0.00 0.00 179.24 178.50 1df0 h GLY 533 N -0.86 -0.35 -0.46 -0.78 0.00 -1.99 -0.60 103.07 98.04 1df0 h GLY 533 Ca -0.01 0.21 0.08 0.00 0.00 0.00 0.00 47.33 47.62 1df0 h GLY 533 CO 0.01 -0.18 -0.44 -2.75 0.00 0.00 0.00 176.54 173.18 1df0 h PHE 534 N -0.37 -1.29 -0.56 5.60 3.57 -1.94 0.16 116.94 122.11 1df0 h PHE 534 Ca 0.02 0.08 0.04 0.00 3.53 0.00 0.00 57.97 61.64 1df0 h PHE 534 Cb 0.38 0.64 -0.04 0.00 2.79 0.00 0.00 35.95 39.72 1df0 h PHE 534 CO -0.18 -0.43 0.32 0.00 -2.23 0.00 0.00 178.31 175.80 1df0 h ARG 535 N -0.25 0.61 0.55 1.11 3.08 -1.21 -2.03 114.38 116.24 1df0 h ARG 535 Ca 0.17 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 1df0 h ARG 535 Cb 0.57 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.48 1df0 h ARG 535 CO -0.67 0.40 -0.27 0.00 -1.07 0.00 0.00 179.97 178.37 1df0 h ARG 536 N 0.63 -0.71 -0.44 0.04 3.08 0.08 -2.14 114.38 114.91 1df0 h ARG 536 Ca 0.24 0.05 0.13 0.00 0.07 0.00 0.00 59.98 60.46 1df0 h ARG 536 Cb 0.08 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1df0 h ARG 536 CO -0.13 -0.42 0.32 -0.07 -1.07 0.00 0.00 179.97 178.60 1df0 h LEU 537 N -0.91 0.01 0.41 3.04 4.07 -0.72 -1.82 115.31 119.40 1df0 h LEU 537 Ca -0.08 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.86 1df0 h LEU 537 Cb 0.63 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.37 1df0 h LEU 537 CO 0.12 0.00 -0.20 0.15 -1.08 0.00 0.00 178.44 177.44 1df0 h PHE 538 N 0.01 -0.51 -0.82 1.13 3.57 -1.16 -3.11 116.94 116.04 1df0 h PHE 538 Ca 0.21 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.87 1df0 h PHE 538 Cb 0.83 0.17 -0.11 0.00 2.79 0.00 0.00 35.95 39.63 1df0 h PHE 538 CO -0.00 -0.19 0.33 0.00 -2.23 0.00 0.00 178.31 176.22 1df0 h ALA 539 N -0.56 1.21 0.00 2.41 0.00 -0.71 1.00 119.26 122.61 1df0 h ALA 539 Ca -0.06 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1df0 h ALA 539 Cb 0.56 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1df0 h ALA 539 CO 0.09 -0.27 0.00 1.04 0.00 0.00 0.00 179.25 180.11 1df0 n GLN 540 N -5.03 0.82 0.00 0.00 1.13 -0.75 -3.01 117.38 110.54 1df0 n GLN 540 Ca 0.18 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.24 1df0 n GLN 540 Cb 0.52 -1.38 0.00 0.00 0.11 0.00 0.00 30.24 29.49 1df0 n GLN 540 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1df0 n LEU 541 N 0.13 0.00 0.18 1.08 7.94 0.30 -4.87 117.00 121.76 1df0 n LEU 541 Ca 0.00 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.03 1df0 n LEU 541 Cb 0.22 0.00 0.31 0.00 0.53 0.00 0.00 43.42 44.48 1df0 n LEU 541 CO 0.00 0.00 0.86 0.00 -1.11 0.00 0.00 177.39 177.14 1df0 h ALA 542 N 0.00 1.00 -0.03 1.96 0.00 -0.13 -3.48 119.26 118.58 1df0 h ALA 542 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1df0 h ALA 542 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1df0 h ALA 542 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1df0 n GLY 543 N 1.05 -1.02 0.24 0.00 0.00 -1.24 -3.53 105.19 100.69 1df0 n GLY 543 Ca 0.04 -1.22 0.01 0.00 0.00 0.00 0.00 46.02 44.85 1df0 n GLY 543 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1df0 h GLU 544 N 0.00 0.32 -0.07 1.61 5.08 -1.93 -3.16 114.58 116.43 1df0 h GLU 544 Ca 0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1df0 h GLU 544 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1df0 h GLU 544 CO 0.00 0.48 0.00 -0.40 -1.00 0.00 0.00 179.01 178.09 1df0 n ASP 545 N -4.23 1.50 -2.45 1.42 3.85 -1.26 -4.93 116.55 110.46 1df0 n ASP 545 Ca -0.00 -1.57 -0.17 0.00 -0.71 0.00 0.00 54.79 52.34 1df0 n ASP 545 Cb 0.30 -0.04 -0.01 0.00 -1.35 0.00 0.00 41.12 40.03 1df0 n ASP 545 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1df0 n ALA 546 N 0.19 -0.71 -3.12 2.12 0.00 -1.20 -4.95 120.51 112.84 1df0 n ALA 546 Ca 0.18 0.14 -0.12 0.00 0.00 0.00 0.00 53.44 53.64 1df0 n ALA 546 Cb 0.33 -1.98 -0.08 0.00 0.00 0.00 0.00 19.45 17.72 1df0 n ALA 546 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1df0 s GLU 547 N -5.08 0.67 0.36 0.00 2.02 -1.23 -4.30 118.70 111.14 1df0 s GLU 547 Ca 0.02 -0.34 0.09 0.00 0.02 0.00 0.00 54.97 54.75 1df0 s GLU 547 Cb -0.01 0.29 -0.06 0.00 0.10 0.00 0.00 34.13 34.45 1df0 s GLU 547 CO 0.02 -0.19 -0.01 0.96 0.02 0.00 0.00 175.26 176.06 1df0 s ILE 548 N -1.74 2.36 0.33 -1.63 -4.36 -0.82 -4.67 121.20 110.68 1df0 s ILE 548 Ca -0.11 -2.04 0.07 0.00 -0.26 0.00 0.00 60.65 58.32 1df0 s ILE 548 Cb -0.04 -2.79 -0.02 0.00 1.25 0.00 0.00 42.46 40.85 1df0 s ILE 548 CO 0.01 -0.15 0.35 -0.94 0.24 0.00 0.00 174.94 174.45 1df0 s SER 549 N -3.69 5.50 0.54 4.36 1.04 -1.26 -1.08 113.70 119.11 1df0 s SER 549 Ca 0.35 -0.40 0.21 0.00 0.48 0.00 0.00 55.95 56.59 1df0 s SER 549 Cb 0.03 -1.06 1.41 0.00 0.10 0.00 0.00 66.02 66.50 1df0 s SER 549 CO 0.18 -0.38 2.13 0.00 0.98 0.00 0.00 173.24 176.16 1df0 h ALA 550 N 1.14 2.02 -0.07 5.32 0.00 -1.89 0.51 119.26 126.29 1df0 h ALA 550 Ca -0.45 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 1df0 h ALA 550 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1df0 h ALA 550 CO 0.57 -0.17 -0.35 0.74 0.00 0.00 0.00 179.25 180.04 1df0 h PHE 551 N 0.00 0.50 -0.45 0.00 0.04 -1.94 -1.90 116.94 113.19 1df0 h PHE 551 Ca 0.06 -0.22 -0.09 0.00 2.80 0.00 0.00 57.97 60.52 1df0 h PHE 551 Cb 0.26 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 1df0 h PHE 551 CO 0.00 0.96 -0.10 0.93 -0.60 0.00 0.00 178.31 179.50 1df0 h GLU 552 N -0.11 0.80 -0.15 1.51 5.08 -1.65 -2.83 114.58 117.23 1df0 h GLU 552 Ca -0.02 -0.26 0.04 0.00 -1.00 0.00 0.00 59.36 58.11 1df0 h GLU 552 Cb 1.00 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.14 1df0 h GLU 552 CO 0.07 0.87 -0.10 1.25 -1.00 0.00 0.00 179.01 180.10 1df0 h LEU 553 N 0.72 -0.32 -0.28 1.33 5.85 0.04 -1.13 115.31 121.52 1df0 h LEU 553 Ca 0.12 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.97 1df0 h LEU 553 Cb 0.58 0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.70 1df0 h LEU 553 CO 0.04 -0.13 -0.46 -0.61 -0.34 0.00 0.00 178.44 176.93 1df0 h GLN 554 N -0.10 -0.41 -0.99 1.25 4.15 -1.10 -1.02 115.11 116.89 1df0 h GLN 554 Ca 0.09 0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.55 1df0 h GLN 554 Cb 0.24 0.09 -0.05 0.00 0.21 0.00 0.00 27.48 27.97 1df0 h GLN 554 CO -0.21 -0.27 0.65 0.00 -1.93 0.00 0.00 178.83 177.07 1df0 h THR 555 N -0.42 1.23 -0.25 2.39 1.03 -1.35 0.12 112.91 115.66 1df0 h THR 555 Ca 0.10 -0.45 -0.01 0.00 -0.01 0.00 0.00 66.41 66.04 1df0 h THR 555 Cb 0.61 -0.20 -0.01 0.00 -1.07 0.00 0.00 68.15 67.48 1df0 h THR 555 CO -0.50 0.24 0.13 0.40 -0.01 0.00 0.00 175.52 175.78 1df0 h ILE 556 N 1.32 1.13 0.00 0.00 2.04 -0.53 -2.67 117.51 118.79 1df0 h ILE 556 Ca 0.37 -0.35 -0.13 0.00 1.00 0.00 0.00 64.86 65.74 1df0 h ILE 556 Cb -0.12 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1df0 h ILE 556 CO -0.09 0.13 -0.63 -0.07 0.00 0.00 0.00 178.15 177.49 1df0 h LEU 557 N 0.29 0.00 -0.35 1.44 4.07 -0.87 -2.92 115.31 116.97 1df0 h LEU 557 Ca 0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1df0 h LEU 557 Cb 0.09 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.81 1df0 h LEU 557 CO -0.01 0.63 0.22 -0.09 -1.08 0.00 0.00 178.44 178.10 1df0 h ARG 558 N 0.00 0.47 -0.52 1.13 2.43 -0.61 -0.46 114.38 116.82 1df0 h ARG 558 Ca -0.01 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1df0 h ARG 558 Cb 1.14 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.56 1df0 h ARG 558 CO 0.08 0.34 0.30 0.00 -1.51 0.00 0.00 179.97 179.19 1df0 h ARG 559 N 0.47 0.72 0.25 0.20 3.08 -1.40 -1.02 114.38 116.68 1df0 h ARG 559 Ca 0.13 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1df0 h ARG 559 Cb -0.02 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.89 1df0 h ARG 559 CO -0.03 0.54 -0.12 0.28 -1.07 0.00 0.00 179.97 179.57 1df0 h VAL 560 N 0.70 0.80 0.00 2.04 2.07 -1.26 -3.00 116.25 117.61 1df0 h VAL 560 Ca 0.19 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1df0 h VAL 560 Cb 0.02 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1df0 h VAL 560 CO -0.03 0.09 0.00 -0.07 0.02 0.00 0.00 177.57 177.57 1df0 h LEU 561 N -0.55 0.00 -1.79 2.57 3.38 -1.10 -2.29 115.31 115.53 1df0 h LEU 561 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1df0 h LEU 561 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1df0 h LEU 561 CO 0.06 0.00 0.13 0.00 0.09 0.00 0.00 178.44 178.71 1df0 h ALA 562 N 2.15 1.84 -1.44 1.53 0.00 -1.03 -3.45 119.26 118.87 1df0 h ALA 562 Ca 0.00 -0.02 -0.76 0.00 0.00 0.00 0.00 54.91 54.13 1df0 h ALA 562 Cb 0.44 -0.08 -0.30 0.00 0.00 0.00 0.00 17.79 17.84 1df0 h ALA 562 CO 0.00 0.14 0.69 1.63 0.00 0.00 0.00 179.25 181.71 1df0 n LYS 563 N -4.50 4.85 0.00 0.00 5.02 -0.87 -5.09 118.16 117.57 1df0 n LYS 563 Ca -0.00 -4.64 0.00 0.00 -2.02 0.00 0.00 58.31 51.65 1df0 n LYS 563 Cb 0.08 -2.41 0.00 0.00 -0.02 0.00 0.00 35.03 32.68 1df0 n LYS 563 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1df0 n LYS 568 N -0.13 0.00 -4.36 1.97 5.02 -1.26 -5.13 118.16 114.27 1df0 n LYS 568 Ca 0.44 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.45 1df0 n LYS 568 Cb 0.29 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.18 1df0 n LYS 568 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1df0 s SER 569 N -3.67 3.64 -0.88 4.39 0.01 -1.26 -4.82 113.70 111.10 1df0 s SER 569 Ca 0.00 -0.70 0.01 0.00 1.31 0.00 0.00 55.95 56.56 1df0 s SER 569 Cb 0.00 -0.39 0.30 0.00 0.21 0.00 0.00 66.02 66.14 1df0 s SER 569 CO 0.00 0.15 1.32 0.47 0.41 0.00 0.00 173.24 175.59 1df0 n ASP 570 N 0.58 5.75 0.00 2.44 8.00 -1.26 -4.85 116.55 127.21 1df0 n ASP 570 Ca -0.15 -3.54 0.00 0.00 0.71 0.00 0.00 54.79 51.81 1df0 n ASP 570 Cb 0.54 -0.99 0.00 0.00 -0.02 0.00 0.00 41.12 40.65 1df0 n ASP 570 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1df0 n GLY 571 N 0.60 3.21 3.79 0.44 0.00 -1.26 -5.01 105.19 106.95 1df0 n GLY 571 Ca 0.33 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.36 1df0 n GLY 571 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1df0 s PHE 572 N -1.28 3.86 0.94 1.61 0.08 -1.26 -4.78 117.98 117.16 1df0 s PHE 572 Ca 0.00 1.49 -0.12 0.00 0.12 0.00 0.00 56.93 58.42 1df0 s PHE 572 Cb 0.00 -2.66 0.16 0.00 -0.57 0.00 0.00 43.02 39.95 1df0 s PHE 572 CO 0.00 0.54 1.09 -1.54 -0.10 0.00 0.00 175.22 175.21 1df0 s SER 573 N -1.10 2.99 0.40 1.36 1.04 -1.26 -4.87 113.70 112.26 1df0 s SER 573 Ca 0.33 1.58 0.22 0.00 0.48 0.00 0.00 55.95 58.56 1df0 s SER 573 Cb -0.22 -2.24 0.73 0.00 0.10 0.00 0.00 66.02 64.40 1df0 s SER 573 CO 0.23 -2.95 1.75 -0.29 0.98 0.00 0.00 173.24 172.96 1df0 h ILE 574 N -1.77 0.65 -0.20 -1.02 6.09 -1.97 -2.84 117.51 116.46 1df0 h ILE 574 Ca -0.51 -1.36 -0.16 0.00 -1.37 0.00 0.00 64.86 61.47 1df0 h ILE 574 Cb 1.29 1.90 -0.01 0.00 0.47 0.00 0.00 36.82 40.47 1df0 h ILE 574 CO 0.52 0.28 -0.52 -0.33 -3.07 0.00 0.00 178.15 175.04 1df0 h GLU 575 N 0.00 0.57 0.23 2.19 3.07 -1.99 -1.51 114.58 117.14 1df0 h GLU 575 Ca -0.00 -0.34 -0.01 0.00 -0.50 0.00 0.00 59.36 58.50 1df0 h GLU 575 Cb 0.88 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.82 1df0 h GLU 575 CO 0.04 0.95 -0.12 1.15 -1.40 0.00 0.00 179.01 179.62 1df0 h THR 576 N 0.44 0.74 -0.82 1.13 2.02 -1.87 -2.02 112.91 112.54 1df0 h THR 576 Ca 0.02 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.22 1df0 h THR 576 Cb 1.06 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 68.16 1df0 h THR 576 CO 0.10 0.00 0.53 0.00 0.37 0.00 0.00 175.52 176.52 1df0 h LYS 578 N 1.05 1.12 -0.01 0.00 1.57 -1.09 -2.07 116.57 117.14 1df0 h LYS 578 Ca 0.32 -0.21 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 1df0 h LYS 578 Cb -0.04 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 1df0 h LYS 578 CO -0.10 0.92 -0.53 -0.84 -0.57 0.00 0.00 179.45 178.34 1df0 h ILE 579 N 1.08 1.38 0.30 1.86 3.07 -1.06 -1.67 117.51 122.46 1df0 h ILE 579 Ca 0.25 -1.81 0.00 0.00 1.55 0.00 0.00 64.86 64.85 1df0 h ILE 579 Cb 0.23 1.97 -0.02 0.00 -0.27 0.00 0.00 36.82 38.72 1df0 h ILE 579 CO -0.02 0.52 -0.33 0.24 -1.05 0.00 0.00 178.15 177.51 1df0 h MET 580 N 0.02 -0.64 -0.42 0.16 2.86 -0.88 -0.93 114.93 115.09 1df0 h MET 580 Ca -0.00 0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.76 1df0 h MET 580 Cb 0.94 0.15 -0.07 0.00 0.06 0.00 0.00 31.60 32.68 1df0 h MET 580 CO 0.07 -0.43 0.02 0.28 1.06 0.00 0.00 176.91 177.91 1df0 h VAL 581 N -0.67 0.70 -0.41 -2.22 2.07 -1.15 0.48 116.25 115.05 1df0 h VAL 581 Ca -0.01 -0.04 0.10 0.00 0.82 0.00 0.00 66.70 67.57 1df0 h VAL 581 Cb 0.62 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1df0 h VAL 581 CO -0.08 0.02 0.29 0.44 0.02 0.00 0.00 177.57 178.26 1df0 h ASP 582 N 0.13 0.09 0.07 0.57 3.45 -0.96 0.12 116.42 119.88 1df0 h ASP 582 Ca 0.21 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.67 1df0 h ASP 582 Cb 0.29 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.05 1df0 h ASP 582 CO -0.33 0.05 -0.04 -0.03 -1.57 0.00 0.00 179.24 177.32 1df0 h MET 583 N 0.10 -0.10 -0.00 3.56 4.05 0.43 -3.38 114.93 119.59 1df0 h MET 583 Ca 0.19 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.62 1df0 h MET 583 Cb 0.65 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.47 1df0 h MET 583 CO -0.02 0.40 -0.10 1.28 0.23 0.00 0.00 176.91 178.70 1df0 n LEU 584 N -4.79 0.44 0.00 3.39 7.99 -0.21 -4.55 117.00 119.26 1df0 n LEU 584 Ca -0.07 0.02 0.00 0.00 -0.01 0.00 0.00 56.01 55.96 1df0 n LEU 584 Cb 0.27 -0.19 0.00 0.00 -0.11 0.00 0.00 43.42 43.39 1df0 n LEU 584 CO 0.22 0.08 0.06 -0.67 -1.51 0.00 0.00 177.39 175.57 1df0 n ASP 585 N -0.97 0.00 0.00 -1.43 -0.08 0.38 -4.70 116.55 109.75 1df0 n ASP 585 Ca 0.15 0.13 0.00 0.00 -1.51 0.00 0.00 54.79 53.56 1df0 n ASP 585 Cb 0.27 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.73 1df0 n ASP 585 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1df0 n GLU 586 N -0.14 0.00 -0.16 -0.67 1.02 -1.26 -4.54 120.64 114.88 1df0 n GLU 586 Ca 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.24 1df0 n GLU 586 Cb 0.00 -2.89 0.28 0.00 -0.02 0.00 0.00 31.44 28.81 1df0 n GLU 586 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1df0 n ASP 587 N 0.00 2.46 -3.89 1.62 5.75 -1.26 -4.97 116.55 116.25 1df0 n ASP 587 Ca 0.00 -1.88 -0.36 0.00 -0.01 0.00 0.00 54.79 52.54 1df0 n ASP 587 Cb 0.00 -0.22 0.02 0.00 -1.03 0.00 0.00 41.12 39.89 1df0 n ASP 587 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1df0 n GLY 588 N 1.28 -1.02 0.00 6.12 0.00 -1.26 -4.90 105.19 105.41 1df0 n GLY 588 Ca 0.17 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1df0 n GLY 588 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1df0 n SER 589 N -2.36 0.16 0.00 1.61 3.41 -1.26 -4.99 113.62 110.19 1df0 n SER 589 Ca -0.17 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 1df0 n SER 589 Cb 0.60 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.65 1df0 n SER 589 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1df0 n GLY 590 N 0.15 0.83 3.07 5.00 0.00 -1.26 -5.01 105.19 107.97 1df0 n GLY 590 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1df0 n GLY 590 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1df0 s LYS 591 N -0.26 0.55 -0.20 1.61 1.02 -1.26 -4.34 119.74 116.85 1df0 s LYS 591 Ca 0.00 -0.82 -0.09 0.00 0.02 0.00 0.00 55.97 55.09 1df0 s LYS 591 Cb 0.00 -0.25 -0.05 0.00 -0.52 0.00 0.00 37.83 37.02 1df0 s LYS 591 CO 0.00 0.03 0.11 -0.51 -0.92 0.00 0.00 175.35 174.06 1df0 s LEU 592 N -1.75 3.98 0.00 3.17 1.43 -0.24 -4.83 118.68 120.45 1df0 s LEU 592 Ca -0.08 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1df0 s LEU 592 Cb -0.08 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.11 1df0 s LEU 592 CO -0.00 0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.33 1df0 n GLY 593 N 3.77 -1.09 0.09 -3.19 0.00 -1.26 -1.94 105.19 101.57 1df0 n GLY 593 Ca -0.16 -1.50 -0.16 0.00 0.00 0.00 0.00 46.02 44.20 1df0 n GLY 593 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1df0 h LEU 594 N 0.00 0.20 -1.15 0.99 7.12 -2.00 -2.37 115.31 118.11 1df0 h LEU 594 Ca 0.00 -0.96 -0.06 0.00 0.13 0.00 0.00 57.88 56.99 1df0 h LEU 594 Cb 0.00 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.05 1df0 h LEU 594 CO 0.00 1.14 -0.06 0.50 -0.13 0.00 0.00 178.44 179.89 1df0 h LYS 595 N -0.71 0.53 -0.00 1.25 3.64 -1.97 -1.17 116.57 118.15 1df0 h LYS 595 Ca -0.06 -0.13 -0.15 0.00 -1.27 0.00 0.00 60.65 59.04 1df0 h LYS 595 Cb 1.24 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 1df0 h LYS 595 CO 0.06 0.60 -0.71 0.93 -2.27 0.00 0.00 179.45 178.06 1df0 h GLU 596 N 0.50 0.02 -0.04 1.90 5.08 -1.89 -2.33 114.58 117.81 1df0 h GLU 596 Ca 0.10 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.27 1df0 h GLU 596 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1df0 h GLU 596 CO 0.02 0.72 -0.76 0.35 -1.00 0.00 0.00 179.01 178.34 1df0 h PHE 597 N 0.01 0.37 0.00 4.33 3.57 -0.99 -2.88 116.94 121.35 1df0 h PHE 597 Ca -0.01 -0.17 -0.00 0.00 3.53 0.00 0.00 57.97 61.32 1df0 h PHE 597 Cb 1.26 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1df0 h PHE 597 CO 0.00 0.92 -0.00 -0.92 -2.23 0.00 0.00 178.31 176.08 1df0 h TYR 598 N 0.17 -0.00 -0.25 0.41 3.20 -0.99 -1.21 116.97 118.29 1df0 h TYR 598 Ca -0.03 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1df0 h TYR 598 Cb 1.33 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.59 1df0 h TYR 598 CO 0.03 0.10 0.17 0.82 -1.64 0.00 0.00 178.16 177.63 1df0 h ILE 599 N -0.10 1.06 -0.09 1.81 2.04 -1.47 -0.85 117.51 119.91 1df0 h ILE 599 Ca -0.00 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.78 1df0 h ILE 599 Cb 0.10 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 1df0 h ILE 599 CO 0.00 0.06 -0.20 0.25 0.00 0.00 0.00 178.15 178.26 1df0 h LEU 600 N 0.34 -0.61 -0.99 1.44 5.85 -1.39 0.12 115.31 120.07 1df0 h LEU 600 Ca 0.09 0.10 0.15 0.00 0.84 0.00 0.00 57.88 59.07 1df0 h LEU 600 Cb -0.04 0.27 -0.10 0.00 0.37 0.00 0.00 40.66 41.17 1df0 h LEU 600 CO -0.02 -0.25 0.61 -0.25 -0.34 0.00 0.00 178.44 178.18 1df0 h TRP 601 N -0.27 1.08 0.54 1.25 2.91 -0.94 0.53 115.95 121.05 1df0 h TRP 601 Ca 0.09 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.11 1df0 h TRP 601 Cb 0.40 -0.33 0.01 0.00 -0.51 0.00 0.00 29.16 28.72 1df0 h TRP 601 CO -0.29 0.33 -0.26 1.15 -1.03 0.00 0.00 178.44 178.34 1df0 h THR 602 N 0.86 0.42 -0.69 2.65 2.02 0.38 -1.78 112.91 116.77 1df0 h THR 602 Ca 0.53 -0.22 0.08 0.00 0.77 0.00 0.00 66.41 67.58 1df0 h THR 602 Cb 0.69 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 1df0 h THR 602 CO -0.33 0.03 0.45 0.11 0.37 0.00 0.00 175.52 176.16 1df0 h LYS 603 N -0.87 0.59 0.00 6.66 1.57 0.22 0.22 116.57 124.96 1df0 h LYS 603 Ca -0.07 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1df0 h LYS 603 Cb 0.61 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1df0 h LYS 603 CO 0.12 0.39 -0.04 0.82 -0.57 0.00 0.00 179.45 180.17 1df0 h ILE 604 N 0.61 0.14 0.10 1.86 2.04 0.33 -2.25 117.51 120.35 1df0 h ILE 604 Ca 0.31 -0.46 -0.24 0.00 1.00 0.00 0.00 64.86 65.47 1df0 h ILE 604 Cb 0.41 1.39 0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1df0 h ILE 604 CO -0.10 0.04 -1.00 1.56 0.00 0.00 0.00 178.15 178.65 1df0 h GLN 605 N 0.00 0.50 0.49 2.37 4.20 0.31 -2.99 115.11 119.98 1df0 h GLN 605 Ca -0.00 -0.67 -0.01 0.00 0.06 0.00 0.00 58.65 58.03 1df0 h GLN 605 Cb 0.39 0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 1df0 h GLN 605 CO 0.01 1.29 -0.45 -0.22 -0.67 0.00 0.00 178.83 178.78 1df0 h LYS 606 N 0.02 -0.90 -0.78 1.46 3.64 -1.06 -1.57 116.57 117.38 1df0 h LYS 606 Ca -0.15 0.06 0.18 0.00 -1.27 0.00 0.00 60.65 59.47 1df0 h LYS 606 Cb 1.72 0.21 -0.13 0.00 -0.41 0.00 0.00 32.23 33.61 1df0 h LYS 606 CO 0.19 -0.60 0.05 1.88 -2.27 0.00 0.00 179.45 178.70 1df0 h TYR 607 N -0.94 0.03 -0.53 1.91 0.05 -1.53 0.31 116.97 116.28 1df0 h TYR 607 Ca -0.05 0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1df0 h TYR 607 Cb 0.81 0.11 -0.03 0.00 1.01 0.00 0.00 36.73 38.64 1df0 h TYR 607 CO -0.22 -0.23 0.35 1.96 -1.05 0.00 0.00 178.16 178.97 1df0 h GLN 608 N 0.13 0.69 0.14 4.88 4.20 -1.25 -0.91 115.11 122.99 1df0 h GLN 608 Ca 0.44 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.10 1df0 h GLN 608 Cb 0.80 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1df0 h GLN 608 CO -0.66 0.46 -0.07 -0.22 -0.67 0.00 0.00 178.83 177.67 1df0 h LYS 609 N 0.71 -0.18 -0.92 1.46 3.64 0.54 -2.46 116.57 119.36 1df0 h LYS 609 Ca 0.19 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.71 1df0 h LYS 609 Cb -0.08 0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 31.65 1df0 h LYS 609 CO -0.04 -0.12 -0.41 -0.89 -2.27 0.00 0.00 179.45 175.72 1df0 n ILE 610 N -2.83 -0.52 -0.30 2.00 5.41 -0.51 0.90 119.36 123.51 1df0 n ILE 610 Ca -0.02 2.17 0.09 0.00 1.00 0.00 0.00 62.75 65.99 1df0 n ILE 610 Cb 0.07 -2.81 0.32 0.00 -0.71 0.00 0.00 39.64 36.51 1df0 n ILE 610 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 1df0 h TYR 611 N 0.00 0.95 -0.17 1.39 3.20 -1.26 -2.23 116.97 118.85 1df0 h TYR 611 Ca 0.27 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.09 1df0 h TYR 611 Cb 0.50 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.46 1df0 h TYR 611 CO -0.84 0.38 -0.21 -0.09 -1.64 0.00 0.00 178.16 175.75 1df0 h ARG 612 N 0.83 0.44 0.00 1.82 2.43 0.10 -2.38 114.38 117.62 1df0 h ARG 612 Ca 0.46 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1df0 h ARG 612 Cb 0.58 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1df0 h ARG 612 CO -0.22 0.83 0.00 0.39 -1.51 0.00 0.00 179.97 179.46 1df0 n GLU 613 N -4.46 0.05 -0.06 0.20 1.02 -0.04 -2.71 120.64 114.64 1df0 n GLU 613 Ca -0.06 0.26 -0.19 0.00 -0.02 0.00 0.00 57.16 57.15 1df0 n GLU 613 Cb 0.41 -1.60 -0.13 0.00 -0.02 0.00 0.00 31.44 30.10 1df0 n GLU 613 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1df0 n ILE 614 N -1.70 1.64 -1.02 -3.67 2.08 -0.88 -4.38 119.36 111.44 1df0 n ILE 614 Ca 0.04 -0.63 -0.28 0.00 0.56 0.00 0.00 62.75 62.43 1df0 n ILE 614 Cb 0.21 -1.54 -0.04 0.00 -0.75 0.00 0.00 39.64 37.53 1df0 n ILE 614 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1df0 n ASP 615 N -3.35 6.66 0.25 4.38 4.64 -0.90 -4.66 116.55 123.57 1df0 n ASP 615 Ca -0.38 -2.43 0.09 0.00 -1.38 0.00 0.00 54.79 50.69 1df0 n ASP 615 Cb 1.03 -1.32 0.49 0.00 -1.04 0.00 0.00 41.12 40.27 1df0 n ASP 615 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 1df0 h VAL 616 N 3.07 0.00 -0.36 5.18 2.07 -1.76 0.50 116.25 124.96 1df0 h VAL 616 Ca 0.63 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 68.01 1df0 h VAL 616 Cb 0.35 0.39 -0.09 0.00 -1.52 0.00 0.00 31.29 30.43 1df0 h VAL 616 CO 1.46 0.00 -0.01 -0.90 0.02 0.00 0.00 177.57 178.14 1df0 n ASP 617 N -2.42 2.98 -1.93 0.57 5.75 -1.26 -5.01 116.55 115.23 1df0 n ASP 617 Ca -0.01 -3.52 -0.07 0.00 -0.01 0.00 0.00 54.79 51.17 1df0 n ASP 617 Cb 0.44 -0.62 0.01 0.00 -1.03 0.00 0.00 41.12 39.92 1df0 n ASP 617 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1df0 n ARG 618 N -0.94 -0.38 -0.00 0.11 5.12 0.17 -4.83 116.66 115.91 1df0 n ARG 618 Ca 0.31 0.25 0.04 0.00 -1.93 0.00 0.00 57.85 56.52 1df0 n ARG 618 Cb 1.03 -0.43 -0.06 0.00 -1.16 0.00 0.00 32.46 31.84 1df0 n ARG 618 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1df0 n SER 619 N 0.46 1.31 0.00 0.55 2.88 -1.26 -4.99 113.62 112.56 1df0 n SER 619 Ca -0.04 -0.46 0.00 0.00 -1.33 0.00 0.00 58.87 57.05 1df0 n SER 619 Cb 0.14 1.16 0.00 0.00 -0.75 0.00 0.00 64.21 64.76 1df0 n SER 619 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1df0 n GLY 620 N 1.49 0.69 2.15 0.46 0.00 -1.26 -5.03 105.19 103.69 1df0 n GLY 620 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1df0 n GLY 620 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1df0 n THR 621 N -2.05 0.00 -4.33 2.61 -2.24 -1.26 -4.47 114.28 102.54 1df0 n THR 621 Ca 0.00 -1.34 -0.17 0.00 -2.27 0.00 0.00 64.05 60.27 1df0 n THR 621 Cb 0.00 0.75 -0.10 0.00 -2.10 0.00 0.00 70.33 68.88 1df0 n THR 621 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1df0 s MET 622 N -2.67 1.33 -0.02 -0.78 1.75 -1.23 -4.65 119.30 113.03 1df0 s MET 622 Ca 0.22 -1.67 0.04 0.00 -1.25 0.00 0.00 55.69 53.03 1df0 s MET 622 Cb 0.00 -0.61 -0.03 0.00 2.84 0.00 0.00 34.83 37.03 1df0 s MET 622 CO 0.16 -0.09 -0.12 1.21 -0.65 0.00 0.00 175.02 175.52 1df0 s ASN 623 N -3.30 4.22 0.35 1.11 3.84 -1.26 -2.63 114.94 117.27 1df0 s ASN 623 Ca 0.28 -0.21 0.16 0.00 0.21 0.00 0.00 52.86 53.30 1df0 s ASN 623 Cb 0.06 -0.90 1.20 0.00 -0.55 0.00 0.00 41.25 41.06 1df0 s ASN 623 CO 0.08 0.31 1.58 0.28 -2.79 0.00 0.00 177.10 176.57 1df0 h SER 624 N 4.92 0.16 0.90 -4.21 0.02 -0.76 0.24 113.55 114.82 1df0 h SER 624 Ca -0.47 0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 1df0 h SER 624 Cb 1.16 0.31 -0.00 0.00 0.14 0.00 0.00 62.40 64.01 1df0 h SER 624 CO 0.51 -0.40 -0.03 1.88 -1.14 0.00 0.00 176.83 177.65 1df0 h TYR 625 N 0.02 0.00 0.00 3.45 -1.99 -1.80 -2.66 116.97 113.99 1df0 h TYR 625 Ca 0.79 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.52 1df0 h TYR 625 Cb 1.99 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.72 1df0 h TYR 625 CO -0.12 0.03 0.00 0.39 -0.00 0.00 0.00 178.16 178.46 1df0 n GLU 626 N -3.14 0.24 -0.34 4.88 1.02 0.07 -4.02 120.64 119.35 1df0 n GLU 626 Ca 0.00 0.22 0.09 0.00 -0.02 0.00 0.00 57.16 57.45 1df0 n GLU 626 Cb 0.29 -1.79 0.26 0.00 -0.02 0.00 0.00 31.44 30.18 1df0 n GLU 626 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1df0 h MET 627 N 0.00 0.82 -0.93 3.49 2.86 -1.56 -0.95 114.93 118.66 1df0 h MET 627 Ca 0.00 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.63 1df0 h MET 627 Cb 0.70 -0.19 -0.06 0.00 0.06 0.00 0.00 31.60 32.12 1df0 h MET 627 CO 0.00 0.54 0.60 -0.09 1.06 0.00 0.00 176.91 179.02 1df0 h ARG 628 N 0.85 1.11 0.69 1.72 2.43 -1.81 0.31 114.38 119.68 1df0 h ARG 628 Ca 0.51 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.58 1df0 h ARG 628 Cb 0.65 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1df0 h ARG 628 CO -0.32 0.73 -0.36 -0.22 -1.51 0.00 0.00 179.97 178.30 1df0 h LYS 629 N 1.14 -0.93 -0.74 0.20 3.64 -1.46 -2.80 116.57 115.63 1df0 h LYS 629 Ca 0.38 0.06 0.15 0.00 -1.27 0.00 0.00 60.65 59.97 1df0 h LYS 629 Cb 0.05 0.21 -0.10 0.00 -0.41 0.00 0.00 32.23 31.98 1df0 h LYS 629 CO -0.13 -0.62 0.24 0.00 -2.27 0.00 0.00 179.45 176.67 1df0 h ALA 630 N -1.49 1.00 -0.78 5.00 0.00 -0.88 -1.44 119.26 120.66 1df0 h ALA 630 Ca -0.09 0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1df0 h ALA 630 Cb 0.75 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 1df0 h ALA 630 CO 0.14 -0.28 0.47 -0.07 0.00 0.00 0.00 179.25 179.52 1df0 h LEU 631 N 0.35 0.73 -1.01 0.00 3.38 -0.36 -1.36 115.31 117.05 1df0 h LEU 631 Ca 0.41 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.39 1df0 h LEU 631 Cb 0.66 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 1df0 h LEU 631 CO -0.45 0.47 0.52 -0.08 0.09 0.00 0.00 178.44 178.99 1df0 h GLU 632 N 0.86 1.21 0.00 1.13 4.81 -0.80 0.22 114.58 122.01 1df0 h GLU 632 Ca 0.34 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.37 1df0 h GLU 632 Cb 0.17 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1df0 h GLU 632 CO -0.17 0.85 -0.40 0.93 -0.73 0.00 0.00 179.01 179.49 1df0 h GLU 633 N 1.22 0.00 -0.19 1.92 4.39 -0.97 -2.29 114.58 118.67 1df0 h GLU 633 Ca 0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.02 1df0 h GLU 633 Cb -0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1df0 h GLU 633 CO -0.06 0.40 0.00 0.00 -1.16 0.00 0.00 179.01 178.19 1df0 n ALA 634 N -2.45 2.50 -0.38 3.43 0.00 -0.51 -4.88 120.51 118.23 1df0 n ALA 634 Ca -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1df0 n ALA 634 Cb 0.44 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1df0 n ALA 634 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1df0 n GLY 635 N 0.96 0.77 3.24 0.00 0.00 -0.86 -4.69 105.19 104.62 1df0 n GLY 635 Ca 0.12 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 1df0 n GLY 635 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1df0 s PHE 636 N -2.00 2.15 -0.07 1.61 0.40 0.65 0.52 117.98 121.23 1df0 s PHE 636 Ca 0.00 -0.53 0.00 0.00 -0.60 0.00 0.00 56.93 55.80 1df0 s PHE 636 Cb 0.00 -1.40 0.02 0.00 0.51 0.00 0.00 43.02 42.15 1df0 s PHE 636 CO 0.00 -0.13 -0.05 0.15 0.70 0.00 0.00 175.22 175.90 1df0 s LYS 637 N -0.30 1.03 0.14 0.44 1.02 -0.13 -2.23 119.74 119.71 1df0 s LYS 637 Ca 0.02 -0.12 0.04 0.00 0.02 0.00 0.00 55.97 55.93 1df0 s LYS 637 Cb -0.11 -1.12 -0.04 0.00 -0.52 0.00 0.00 37.83 36.04 1df0 s LYS 637 CO 0.01 -0.17 -0.09 -0.51 -0.92 0.00 0.00 175.35 173.67 1df0 s LEU 638 N 1.36 2.51 0.77 3.17 1.43 -1.26 -0.32 118.68 126.34 1df0 s LEU 638 Ca -0.03 -1.02 -0.11 0.00 -1.03 0.00 0.00 54.13 51.93 1df0 s LEU 638 Cb -0.14 -0.29 0.05 0.00 0.03 0.00 0.00 46.19 45.85 1df0 s LEU 638 CO -0.03 -0.37 1.08 -2.84 0.23 0.00 0.00 176.35 174.43 1df0 s PRO 639 N -3.77 2.30 0.27 1.29 0.02 -1.23 -4.57 135.00 129.31 1df0 s PRO 639 Ca 0.16 0.79 0.00 0.00 0.02 0.00 0.00 61.00 61.98 1df0 s PRO 639 Cb 0.03 -1.93 0.61 0.00 0.02 0.00 0.00 34.50 33.23 1df0 s PRO 639 CO -0.00 -1.50 1.71 0.00 -0.33 0.00 0.00 177.00 176.88 1df0 h GLN 641 N 0.44 -0.80 -0.64 0.00 5.75 -2.00 -1.10 115.11 116.76 1df0 h GLN 641 Ca 0.50 0.05 0.19 0.00 -0.15 0.00 0.00 58.65 59.24 1df0 h GLN 641 Cb 0.86 0.18 -0.03 0.00 1.07 0.00 0.00 27.48 29.56 1df0 h GLN 641 CO -0.47 -0.54 0.46 -0.07 -2.65 0.00 0.00 178.83 175.56 1df0 h LEU 642 N -0.83 0.00 -0.89 -2.39 3.38 -1.78 0.37 115.31 113.16 1df0 h LEU 642 Ca -0.05 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 1df0 h LEU 642 Cb 0.72 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1df0 h LEU 642 CO -0.04 0.00 -0.55 0.45 0.09 0.00 0.00 178.44 178.39 1df0 h HIS 643 N 0.00 0.01 -0.12 1.13 3.86 -0.72 -1.26 115.15 118.06 1df0 h HIS 643 Ca 0.30 -0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.46 1df0 h HIS 643 Cb 1.22 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.69 1df0 h HIS 643 CO -0.00 0.56 -0.13 1.96 0.86 0.00 0.00 177.93 181.18 1df0 h GLN 644 N 0.01 0.29 -0.42 2.45 4.20 0.92 -2.36 115.11 120.20 1df0 h GLN 644 Ca -0.01 -0.16 0.09 0.00 0.06 0.00 0.00 58.65 58.63 1df0 h GLN 644 Cb 0.98 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.67 1df0 h GLN 644 CO 0.07 0.71 -0.24 0.28 -0.67 0.00 0.00 178.83 178.98 1df0 h VAL 645 N -0.11 0.34 -0.38 -0.54 2.07 -0.98 0.26 116.25 116.91 1df0 h VAL 645 Ca 0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.54 1df0 h VAL 645 Cb 0.66 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1df0 h VAL 645 CO 0.03 0.00 0.25 0.40 0.02 0.00 0.00 177.57 178.27 1df0 h ILE 646 N -0.16 1.08 -0.12 4.57 2.04 -1.20 -0.41 117.51 123.31 1df0 h ILE 646 Ca 0.20 -0.17 -0.19 0.00 1.00 0.00 0.00 64.86 65.69 1df0 h ILE 646 Cb 0.47 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1df0 h ILE 646 CO -0.52 0.09 -0.72 1.62 0.00 0.00 0.00 178.15 178.63 1df0 h VAL 647 N 0.50 1.34 -0.57 1.67 3.04 -0.96 -1.16 116.25 120.12 1df0 h VAL 647 Ca 0.14 -2.04 -0.02 0.00 -1.01 0.00 0.00 66.70 63.78 1df0 h VAL 647 Cb -0.04 2.02 -0.03 0.00 -2.01 0.00 0.00 31.29 31.23 1df0 h VAL 647 CO -0.04 0.63 0.30 0.00 -1.01 0.00 0.00 177.57 177.44 1df0 h ALA 648 N 0.83 0.73 0.11 3.17 0.00 -0.32 -2.07 119.26 121.72 1df0 h ALA 648 Ca -0.03 -0.11 -0.27 0.00 0.00 0.00 0.00 54.91 54.49 1df0 h ALA 648 Cb 1.30 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.88 1df0 h ALA 648 CO 0.13 0.27 -1.20 -0.09 0.00 0.00 0.00 179.25 178.36 1df0 h ARG 649 N 0.77 0.40 0.00 0.00 9.65 -1.03 -3.40 114.38 120.77 1df0 h ARG 649 Ca 0.20 -0.59 0.00 0.00 -1.10 0.00 0.00 59.98 58.49 1df0 h ARG 649 Cb 0.08 0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 1df0 h ARG 649 CO -0.03 1.25 -1.15 1.19 2.80 0.00 0.00 179.97 184.03 1df0 n PHE 650 N -3.66 0.00 -3.55 2.20 3.72 -0.44 -4.98 117.46 110.74 1df0 n PHE 650 Ca -0.10 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.96 1df0 n PHE 650 Cb 0.98 -0.16 -0.05 0.00 -0.94 0.00 0.00 39.48 39.31 1df0 n PHE 650 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1df0 s ALA 651 N -2.69 3.70 0.61 4.37 0.00 -0.78 -4.75 121.76 122.22 1df0 s ALA 651 Ca 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.57 1df0 s ALA 651 Cb 0.10 -2.29 0.07 0.00 0.00 0.00 0.00 23.12 21.00 1df0 s ALA 651 CO 0.61 0.57 0.44 -0.40 0.00 0.00 0.00 175.76 176.98 1df0 n ASP 652 N 0.57 0.48 -4.67 0.00 5.75 -0.64 -4.86 116.55 113.18 1df0 n ASP 652 Ca -0.05 -1.43 -0.30 0.00 -0.01 0.00 0.00 54.79 52.99 1df0 n ASP 652 Cb 0.52 -0.29 0.16 0.00 -1.03 0.00 0.00 41.12 40.48 1df0 n ASP 652 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1df0 s ASP 653 N -2.74 3.06 -1.25 -1.12 -0.00 -1.26 -2.42 116.67 110.93 1df0 s ASP 653 Ca 0.28 1.92 -0.01 0.00 -0.00 0.00 0.00 52.55 54.74 1df0 s ASP 653 Cb -0.01 -2.47 0.00 0.00 -0.00 0.00 0.00 42.92 40.44 1df0 s ASP 653 CO 0.19 -2.97 0.14 1.21 -0.00 0.00 0.00 175.17 173.74 1df0 n GLU 654 N -4.13 -1.96 -2.45 8.23 2.13 -1.26 -3.91 120.64 117.29 1df0 n GLU 654 Ca 0.09 0.72 -0.06 0.00 0.66 0.00 0.00 57.16 58.57 1df0 n GLU 654 Cb 0.53 -5.07 -0.02 0.00 0.27 0.00 0.00 31.44 27.16 1df0 n GLU 654 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1df0 n LEU 655 N -2.45 -0.15 -4.55 4.31 7.99 -1.02 -4.92 117.00 116.22 1df0 n LEU 655 Ca -0.15 -0.21 -0.34 0.00 -0.01 0.00 0.00 56.01 55.30 1df0 n LEU 655 Cb 0.62 -0.26 -0.11 0.00 -0.11 0.00 0.00 43.42 43.56 1df0 n LEU 655 CO 0.25 0.05 -0.35 -0.51 -1.51 0.00 0.00 177.39 175.33 1df0 s ILE 656 N -2.41 3.96 -0.37 -0.08 2.07 -1.25 -0.10 121.20 123.02 1df0 s ILE 656 Ca 0.06 -0.35 -0.03 0.00 -1.41 0.00 0.00 60.65 58.92 1df0 s ILE 656 Cb -0.04 -2.70 0.08 0.00 0.13 0.00 0.00 42.46 39.94 1df0 s ILE 656 CO 0.17 0.53 0.14 -0.63 -1.91 0.00 0.00 174.94 173.24 1df0 s ILE 657 N -0.08 3.33 1.18 2.00 1.01 -1.08 -1.61 121.20 125.94 1df0 s ILE 657 Ca 0.02 -1.71 -0.17 0.00 0.00 0.00 0.00 60.65 58.79 1df0 s ILE 657 Cb -0.13 -3.11 0.27 0.00 0.01 0.00 0.00 42.46 39.50 1df0 s ILE 657 CO 0.02 -0.45 1.06 1.51 0.00 0.00 0.00 174.94 177.09 1df0 s ASP 658 N 1.64 1.06 0.25 3.58 3.84 -1.26 -3.56 116.67 122.22 1df0 s ASP 658 Ca 0.03 0.95 -0.02 0.00 -0.00 0.00 0.00 52.55 53.50 1df0 s ASP 658 Cb -0.22 -1.42 0.29 0.00 -1.38 0.00 0.00 42.92 40.20 1df0 s ASP 658 CO -0.02 -4.07 1.71 0.15 -0.00 0.00 0.00 175.17 172.94 1df0 h PHE 659 N -2.54 0.82 -0.36 2.11 3.57 -1.95 -0.51 116.94 118.09 1df0 h PHE 659 Ca -0.50 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 60.83 1df0 h PHE 659 Cb 1.32 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 1df0 h PHE 659 CO -1.24 0.82 0.14 0.22 -2.23 0.00 0.00 178.31 176.02 1df0 h ASP 660 N 0.69 0.49 0.28 0.41 3.58 -1.93 -0.73 116.42 119.21 1df0 h ASP 660 Ca 0.12 -0.17 -0.14 0.00 0.42 0.00 0.00 57.03 57.26 1df0 h ASP 660 Cb 0.57 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 1df0 h ASP 660 CO 0.04 0.53 -0.56 0.78 -2.88 0.00 0.00 179.24 177.15 1df0 h ASN 661 N 0.43 0.33 -0.26 2.28 2.35 -1.90 0.54 115.58 119.34 1df0 h ASN 661 Ca 0.12 -0.18 0.05 0.00 -0.55 0.00 0.00 56.30 55.74 1df0 h ASN 661 Cb 0.19 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 38.42 1df0 h ASN 661 CO -0.01 0.82 -0.03 0.15 -1.65 0.00 0.00 177.43 176.71 1df0 h PHE 662 N 0.23 -0.08 0.00 1.19 3.57 -0.54 -0.43 116.94 120.88 1df0 h PHE 662 Ca 0.00 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.39 1df0 h PHE 662 Cb 1.05 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 1df0 h PHE 662 CO 0.02 -0.08 -0.79 -0.39 -2.23 0.00 0.00 178.31 174.84 1df0 h VAL 663 N 0.04 0.82 -0.11 1.41 -1.51 -0.96 -3.04 116.25 112.90 1df0 h VAL 663 Ca 0.13 -2.23 0.04 0.00 -1.23 0.00 0.00 66.70 63.41 1df0 h VAL 663 Cb 0.18 2.34 -0.05 0.00 -2.13 0.00 0.00 31.29 31.62 1df0 h VAL 663 CO -0.24 0.47 -0.24 -0.09 -1.23 0.00 0.00 177.57 176.24 1df0 h ARG 664 N 0.00 -0.30 -0.46 5.19 9.65 -0.32 0.52 114.38 128.65 1df0 h ARG 664 Ca -0.05 0.02 0.05 0.00 -1.10 0.00 0.00 59.98 58.90 1df0 h ARG 664 Cb 1.46 0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 30.06 1df0 h ARG 664 CO 0.06 -0.20 0.18 0.00 2.80 0.00 0.00 179.97 182.82 1df0 h LEU 666 N 0.37 0.52 0.16 0.00 3.38 -1.27 0.33 115.31 118.80 1df0 h LEU 666 Ca 0.21 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1df0 h LEU 666 Cb 0.18 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1df0 h LEU 666 CO -0.19 0.53 -0.08 0.58 0.09 0.00 0.00 178.44 179.37 1df0 h VAL 667 N 0.46 0.91 -0.45 1.22 2.07 -0.67 -0.50 116.25 119.30 1df0 h VAL 667 Ca 0.13 -0.28 0.06 0.00 0.82 0.00 0.00 66.70 67.43 1df0 h VAL 667 Cb 0.18 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 1df0 h VAL 667 CO -0.01 0.07 0.14 -0.09 0.02 0.00 0.00 177.57 177.69 1df0 h ARG 668 N -0.34 0.29 -0.45 1.57 2.43 -0.61 0.16 114.38 117.42 1df0 h ARG 668 Ca -0.02 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1df0 h ARG 668 Cb 0.27 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 1df0 h ARG 668 CO 0.04 0.19 0.28 1.25 -1.51 0.00 0.00 179.97 180.21 1df0 h LEU 669 N 0.30 0.45 -0.01 3.80 5.85 -0.18 0.40 115.31 125.92 1df0 h LEU 669 Ca 0.21 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1df0 h LEU 669 Cb 0.22 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1df0 h LEU 669 CO -0.23 0.33 0.00 -0.08 -0.34 0.00 0.00 178.44 178.12 1df0 h GLU 670 N 0.56 0.01 -0.80 1.25 4.81 -0.20 -2.42 114.58 117.80 1df0 h GLU 670 Ca 0.18 -0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.47 1df0 h GLU 670 Cb -0.01 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.31 1df0 h GLU 670 CO -0.07 0.16 0.47 0.82 -0.73 0.00 0.00 179.01 179.67 1df0 h ILE 671 N -0.15 1.00 -0.56 2.32 2.04 -0.44 -0.56 117.51 121.16 1df0 h ILE 671 Ca 0.00 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.57 1df0 h ILE 671 Cb 0.16 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.28 1df0 h ILE 671 CO -0.00 0.16 0.37 -0.07 0.00 0.00 0.00 178.15 178.60 1df0 h LEU 672 N 0.85 0.64 -0.05 1.44 4.07 -0.79 -0.27 115.31 121.20 1df0 h LEU 672 Ca 0.36 -0.02 -0.04 0.00 0.08 0.00 0.00 57.88 58.26 1df0 h LEU 672 Cb 0.21 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.79 1df0 h LEU 672 CO -0.19 0.46 -0.13 -0.26 -1.08 0.00 0.00 178.44 177.24 1df0 h PHE 673 N 0.75 0.23 -0.54 1.13 -1.00 -0.67 -2.22 116.94 114.63 1df0 h PHE 673 Ca 0.20 -0.09 0.09 0.00 2.81 0.00 0.00 57.97 60.98 1df0 h PHE 673 Cb -0.09 -0.04 -0.07 0.00 3.61 0.00 0.00 35.95 39.36 1df0 h PHE 673 CO -0.00 0.74 0.15 0.87 -1.61 0.00 0.00 178.31 178.46 1df0 h LYS 674 N -0.35 0.29 0.03 1.51 1.79 -0.89 -0.16 116.57 118.79 1df0 h LYS 674 Ca -0.00 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1df0 h LYS 674 Cb 0.74 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.31 1df0 h LYS 674 CO 0.03 0.19 -0.10 0.82 -1.08 0.00 0.00 179.45 179.31 1df0 h ILE 675 N 0.30 0.75 -0.44 1.86 2.04 -1.05 -0.16 117.51 120.81 1df0 h ILE 675 Ca 0.27 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.21 1df0 h ILE 675 Cb 0.35 0.75 -0.08 0.00 -0.74 0.00 0.00 36.82 37.11 1df0 h ILE 675 CO -0.32 0.00 -0.04 0.15 0.00 0.00 0.00 178.15 177.94 1df0 h PHE 676 N -0.19 -0.09 -0.86 1.37 3.57 -0.72 0.11 116.94 120.13 1df0 h PHE 676 Ca 0.03 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.65 1df0 h PHE 676 Cb 0.22 0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.01 1df0 h PHE 676 CO -0.15 -0.13 0.56 0.87 -2.23 0.00 0.00 178.31 177.23 1df0 h LYS 677 N 0.07 0.86 -0.17 1.11 1.57 -0.44 -0.66 116.57 118.91 1df0 h LYS 677 Ca 0.22 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.88 1df0 h LYS 677 Cb 0.32 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1df0 h LYS 677 CO -0.39 0.57 -0.12 0.37 -0.57 0.00 0.00 179.45 179.31 1df0 h GLN 678 N 0.89 0.39 0.00 3.15 4.15 0.96 -2.95 115.11 121.69 1df0 h GLN 678 Ca 0.38 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.62 1df0 h GLN 678 Cb 0.33 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.01 1df0 h GLN 678 CO -0.15 0.73 0.00 1.28 -1.93 0.00 0.00 178.83 178.76 1df0 n LEU 679 N -4.56 0.00 -3.15 -2.39 4.77 0.11 -3.72 117.00 108.06 1df0 n LEU 679 Ca -0.06 0.16 -0.25 0.00 -0.03 0.00 0.00 56.01 55.84 1df0 n LEU 679 Cb 0.34 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 1df0 n LEU 679 CO 0.39 -0.06 -0.00 -0.67 -1.33 0.00 0.00 177.39 175.72 1df0 n ASP 680 N -1.16 3.01 -0.27 -1.43 4.64 -0.32 -4.75 116.55 116.26 1df0 n ASP 680 Ca 0.12 -3.36 0.08 0.00 -1.38 0.00 0.00 54.79 50.25 1df0 n ASP 680 Cb 0.12 -0.61 0.23 0.00 -1.04 0.00 0.00 41.12 39.82 1df0 n ASP 680 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1df0 h PRO 681 N 3.44 0.38 0.00 -0.67 0.13 -1.67 -0.11 132.00 133.50 1df0 h PRO 681 Ca 0.14 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1df0 h PRO 681 Cb 0.69 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.73 1df0 h PRO 681 CO 0.71 0.25 0.00 0.39 -0.23 0.00 0.00 178.00 179.13 1df0 n GLU 682 N -5.05 0.09 -3.01 0.86 -0.58 -1.26 -4.93 120.64 106.76 1df0 n GLU 682 Ca 0.17 0.28 -0.02 0.00 -0.42 0.00 0.00 57.16 57.16 1df0 n GLU 682 Cb 0.51 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 1df0 n GLU 682 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1df0 n ASN 683 N -1.83 -7.83 -0.00 1.62 4.05 -0.05 -4.97 115.26 106.24 1df0 n ASN 683 Ca 0.04 0.09 0.03 0.00 0.45 0.00 0.00 54.58 55.18 1df0 n ASN 683 Cb 0.24 -5.32 -0.04 0.00 1.23 0.00 0.00 39.78 35.89 1df0 n ASN 683 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 1df0 n THR 684 N -1.38 0.00 0.00 -0.44 -2.24 -1.26 -5.01 114.28 103.95 1df0 n THR 684 Ca 0.03 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1df0 n THR 684 Cb 0.49 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 1df0 n THR 684 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1df0 n GLY 685 N 1.37 1.19 2.89 3.38 0.00 -1.26 -5.03 105.19 107.73 1df0 n GLY 685 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 1df0 n GLY 685 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1df0 s THR 686 N -2.34 0.20 0.02 2.61 -4.23 -1.26 -5.15 115.64 105.48 1df0 s THR 686 Ca 0.00 -0.07 0.04 0.00 -1.18 0.00 0.00 61.69 60.49 1df0 s THR 686 Cb 0.00 -0.20 -0.03 0.00 1.34 0.00 0.00 72.50 73.61 1df0 s THR 686 CO 0.00 0.08 -0.09 0.27 -0.54 0.00 0.00 174.62 174.34 1df0 s ILE 687 N 0.18 3.47 -0.30 2.99 -4.36 -1.26 -4.92 121.20 117.00 1df0 s ILE 687 Ca -0.01 -0.89 -0.06 0.00 -0.26 0.00 0.00 60.65 59.43 1df0 s ILE 687 Cb -0.04 -2.51 0.02 0.00 1.25 0.00 0.00 42.46 41.18 1df0 s ILE 687 CO -0.00 0.36 0.07 -1.58 0.24 0.00 0.00 174.94 174.03 1df0 s GLN 688 N -1.48 2.95 0.22 0.37 0.74 -1.26 -5.10 119.66 116.10 1df0 s GLN 688 Ca 0.17 -0.95 0.11 0.00 0.05 0.00 0.00 55.36 54.74 1df0 s GLN 688 Cb -0.11 -3.35 -0.04 0.00 1.10 0.00 0.00 33.01 30.61 1df0 s GLN 688 CO 0.08 -0.49 -0.16 -0.51 -0.55 0.00 0.00 175.29 173.66 1df0 s LEU 689 N 1.45 2.73 0.47 3.68 1.43 -1.26 -5.09 118.68 122.10 1df0 s LEU 689 Ca 0.01 -0.80 0.07 0.00 -1.03 0.00 0.00 54.13 52.38 1df0 s LEU 689 Cb -0.18 -1.36 0.01 0.00 0.03 0.00 0.00 46.19 44.69 1df0 s LEU 689 CO 0.02 0.08 0.43 1.51 0.23 0.00 0.00 176.35 178.61 1df0 s ASP 690 N -3.09 4.91 0.13 2.29 1.47 -1.26 -4.90 116.67 116.23 1df0 s ASP 690 Ca 0.26 -0.92 -0.19 0.00 1.18 0.00 0.00 52.55 52.87 1df0 s ASP 690 Cb -0.07 -0.16 -0.01 0.00 -0.34 0.00 0.00 42.92 42.34 1df0 s ASP 690 CO 0.14 -0.87 1.70 0.25 0.68 0.00 0.00 175.17 177.07 1df0 h LEU 691 N 0.85 -0.22 -0.26 2.11 5.85 -2.01 0.24 115.31 121.87 1df0 h LEU 691 Ca -0.39 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.36 1df0 h LEU 691 Cb 1.28 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 1df0 h LEU 691 CO 0.56 -0.08 -0.00 0.40 -0.34 0.00 0.00 178.44 178.97 1df0 h ILE 692 N -0.00 1.26 -0.74 4.05 5.03 -2.00 -1.49 117.51 123.62 1df0 h ILE 692 Ca 0.11 -0.93 -0.04 0.00 -0.12 0.00 0.00 64.86 63.88 1df0 h ILE 692 Cb 0.17 1.35 -0.03 0.00 -3.03 0.00 0.00 36.82 35.28 1df0 h ILE 692 CO -0.24 0.29 0.30 0.28 -0.68 0.00 0.00 178.15 178.10 1df0 h SER 693 N 0.24 1.01 -0.50 1.72 0.02 -1.93 -2.48 113.55 111.64 1df0 h SER 693 Ca 0.07 -0.17 0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1df0 h SER 693 Cb 0.43 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.66 1df0 h SER 693 CO 0.01 0.91 0.23 -0.25 -1.14 0.00 0.00 176.83 176.60 1df0 h TRP 694 N 1.06 0.42 -0.73 3.45 2.91 -0.33 -1.63 115.95 121.10 1df0 h TRP 694 Ca 0.25 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.24 1df0 h TRP 694 Cb 0.21 -0.12 -0.03 0.00 -0.51 0.00 0.00 29.16 28.71 1df0 h TRP 694 CO 0.02 0.19 0.29 -0.07 -1.03 0.00 0.00 178.44 177.83 1df0 h LEU 695 N 0.45 1.01 -0.05 0.65 3.38 -1.03 -0.31 115.31 119.42 1df0 h LEU 695 Ca 0.23 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1df0 h LEU 695 Cb 0.17 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1df0 h LEU 695 CO -0.18 0.92 -0.10 0.28 0.09 0.00 0.00 178.44 179.44 1df0 h SER 696 N 1.05 -0.30 0.80 -0.43 0.02 -0.93 -2.56 113.55 111.20 1df0 h SER 696 Ca 0.24 0.05 -0.18 0.00 -0.84 0.00 0.00 61.79 61.06 1df0 h SER 696 Cb 0.22 0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 1df0 h SER 696 CO -0.02 -0.14 -0.85 -0.26 -1.14 0.00 0.00 176.83 174.42 1df0 h PHE 697 N -0.15 0.05 0.00 3.45 0.04 -1.24 -1.59 116.94 117.50 1df0 h PHE 697 Ca 0.06 -0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 1df0 h PHE 697 Cb 0.23 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 1df0 h PHE 697 CO -0.19 0.87 -0.19 0.77 -0.60 0.00 0.00 178.31 178.97 1df0 h SER 698 N 0.02 0.00 0.00 2.17 0.02 -0.97 -3.29 113.55 111.50 1df0 h SER 698 Ca -0.02 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.82 1df0 h SER 698 Cb 1.50 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.79 1df0 h SER 698 CO 0.11 0.19 -0.82 1.33 -1.14 0.00 0.00 176.83 176.50 1df0 n VAL 699 N -3.72 0.65 -1.51 2.27 0.24 -0.97 -5.09 118.33 110.20 1df0 n VAL 699 Ca -0.02 -1.57 0.00 0.00 -2.04 0.00 0.00 64.34 60.72 1df0 n VAL 699 Cb 0.30 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.26 1df0 n VAL 699 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87