#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug6 n ALA 5 N 0.00 1.37 -1.76 5.20 0.00 -1.26 -5.10 120.51 118.96 1ug6 n ALA 5 Ca 0.00 -0.74 -0.38 0.00 0.00 0.00 0.00 53.44 52.31 1ug6 n ALA 5 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.34 1ug6 n ALA 5 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ug6 s GLU 6 N -0.24 3.69 0.58 0.00 0.41 -1.26 -4.99 118.70 116.89 1ug6 s GLU 6 Ca 0.01 2.02 -0.19 0.00 -0.41 0.00 0.00 54.97 56.40 1ug6 s GLU 6 Cb 0.01 -2.50 -0.04 0.00 -1.78 0.00 0.00 34.13 29.82 1ug6 s GLU 6 CO 0.00 -0.68 1.17 0.15 -0.49 0.00 0.00 175.26 175.41 1ug6 s LYS 7 N -2.58 3.09 0.28 1.61 1.02 -1.26 -4.96 119.74 116.94 1ug6 s LYS 7 Ca 0.63 1.73 -0.29 0.00 0.02 0.00 0.00 55.97 58.05 1ug6 s LYS 7 Cb -0.35 -1.96 -0.13 0.00 -0.52 0.00 0.00 37.83 34.87 1ug6 s LYS 7 CO 0.43 -1.09 1.25 0.34 -0.92 0.00 0.00 175.35 175.36 1ug6 n PHE 8 N -1.54 1.93 -3.38 3.18 7.35 -1.26 -4.95 117.46 118.80 1ug6 n PHE 8 Ca 0.13 0.56 -0.41 0.00 -0.76 0.00 0.00 57.45 56.97 1ug6 n PHE 8 Cb 0.50 -2.38 -0.09 0.00 0.35 0.00 0.00 39.48 37.86 1ug6 n PHE 8 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1ug6 s LEU 9 N -0.19 4.37 -0.26 -2.13 1.43 -0.31 -4.97 118.68 116.61 1ug6 s LEU 9 Ca 0.62 -0.13 -0.15 0.00 -1.03 0.00 0.00 54.13 53.43 1ug6 s LEU 9 Cb -0.65 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 1ug6 s LEU 9 CO 0.57 -0.34 0.39 0.26 0.23 0.00 0.00 176.35 177.45 1ug6 s TRP 10 N 2.08 3.26 0.35 0.29 0.52 -1.26 -1.20 118.94 122.99 1ug6 s TRP 10 Ca 0.13 0.45 0.04 0.00 0.02 0.00 0.00 56.10 56.74 1ug6 s TRP 10 Cb -0.16 -2.58 -0.03 0.00 -1.15 0.00 0.00 33.47 29.55 1ug6 s TRP 10 CO 0.12 -0.21 0.17 0.20 0.02 0.00 0.00 176.95 177.25 1ug6 s GLY 11 N 1.57 2.35 0.11 0.98 0.00 0.20 -1.10 107.32 111.42 1ug6 s GLY 11 Ca 0.16 -1.61 0.04 0.00 0.00 0.00 0.00 44.72 43.30 1ug6 s GLY 11 CO 0.10 -1.67 -0.10 -1.34 0.00 0.00 0.00 173.10 170.09 1ug6 s VAL 12 N -3.40 0.95 0.03 1.40 -7.23 -1.11 -1.99 120.40 109.04 1ug6 s VAL 12 Ca 0.32 -1.77 0.05 0.00 -1.81 0.00 0.00 61.98 58.77 1ug6 s VAL 12 Cb 0.03 -1.50 -0.02 0.00 0.56 0.00 0.00 36.38 35.45 1ug6 s VAL 12 CO 0.18 -0.64 -0.15 0.00 -0.31 0.00 0.00 175.10 174.18 1ug6 s ALA 13 N -2.79 1.26 0.20 1.32 0.00 -0.16 -0.97 121.76 120.63 1ug6 s ALA 13 Ca 0.09 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.24 1ug6 s ALA 13 Cb -0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 1ug6 s ALA 13 CO -0.01 0.26 0.22 0.25 0.00 0.00 0.00 175.76 176.48 1ug6 n THR 14 N 2.04 0.00 -3.71 0.00 -2.24 0.12 -3.27 114.28 107.22 1ug6 n THR 14 Ca -0.17 -1.28 -0.11 0.00 -2.27 0.00 0.00 64.05 60.23 1ug6 n THR 14 Cb 0.55 0.69 -0.06 0.00 -2.10 0.00 0.00 70.33 69.41 1ug6 n THR 14 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ug6 s SER 15 N -2.34 -0.15 0.04 3.42 1.04 -1.26 -3.96 113.70 110.50 1ug6 s SER 15 Ca 0.21 -0.32 -0.27 0.00 0.48 0.00 0.00 55.95 56.05 1ug6 s SER 15 Cb 0.00 0.42 -0.17 0.00 0.10 0.00 0.00 66.02 66.37 1ug6 s SER 15 CO 0.15 -0.76 1.43 0.00 0.98 0.00 0.00 173.24 175.04 1ug6 h ALA 16 N 2.70 -0.42 -0.03 5.32 0.00 -1.90 -2.63 119.26 122.31 1ug6 h ALA 16 Ca -0.33 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 1ug6 h ALA 16 Cb 1.23 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1ug6 h ALA 16 CO 0.48 -0.63 -0.23 -0.92 0.00 0.00 0.00 179.25 177.95 1ug6 h TYR 17 N -0.62 0.04 0.00 0.00 3.20 -1.93 -0.37 116.97 117.29 1ug6 h TYR 17 Ca -0.04 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.76 1ug6 h TYR 17 Cb 0.45 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 1ug6 h TYR 17 CO -0.00 0.27 -0.30 1.96 -1.64 0.00 0.00 178.16 178.44 1ug6 h GLN 18 N 0.04 0.00 0.00 1.82 4.20 -1.75 -3.39 115.11 116.03 1ug6 h GLN 18 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1ug6 h GLN 18 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1ug6 h GLN 18 CO 0.03 0.30 -0.74 0.44 -0.67 0.00 0.00 178.83 178.19 1ug6 n ILE 19 N -3.44 0.00 0.06 2.54 -5.35 -1.02 -1.95 119.36 110.20 1ug6 n ILE 19 Ca 0.00 0.00 -0.16 0.00 -0.27 0.00 0.00 62.75 62.32 1ug6 n ILE 19 Cb 0.48 0.14 -0.07 0.00 -1.74 0.00 0.00 39.64 38.45 1ug6 n ILE 19 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1ug6 h GLU 20 N 0.00 0.53 0.00 6.28 5.08 -1.26 -1.59 114.58 123.62 1ug6 h GLU 20 Ca 0.00 -0.58 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 1ug6 h GLU 20 Cb 0.15 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1ug6 h GLU 20 CO 0.00 1.21 0.00 0.41 -1.00 0.00 0.00 179.01 179.63 1ug6 n GLY 21 N 1.03 0.91 3.99 -3.84 0.00 -1.22 -2.03 105.19 104.02 1ug6 n GLY 21 Ca -0.09 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 1ug6 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug6 n ALA 22 N 4.69 -1.69 0.17 4.61 0.00 -1.26 -4.83 120.51 122.20 1ug6 n ALA 22 Ca 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 53.44 53.35 1ug6 n ALA 22 Cb 0.00 -2.58 0.31 0.00 0.00 0.00 0.00 19.45 17.18 1ug6 n ALA 22 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1ug6 h THR 23 N -1.80 1.30 -0.30 0.00 1.35 -1.90 -3.09 112.91 108.48 1ug6 h THR 23 Ca -0.61 -1.49 -0.24 0.00 -0.55 0.00 0.00 66.41 63.52 1ug6 h THR 23 Cb 1.38 1.81 -0.27 0.00 -1.73 0.00 0.00 68.15 69.33 1ug6 h THR 23 CO 0.67 0.42 -0.81 0.00 -0.25 0.00 0.00 175.52 175.55 1ug6 n GLN 24 N -4.00 1.90 -4.40 4.72 6.02 -1.26 -4.69 117.38 115.67 1ug6 n GLN 24 Ca -0.02 -3.34 -0.28 0.00 -0.01 0.00 0.00 57.00 53.36 1ug6 n GLN 24 Cb 0.46 -1.49 -0.12 0.00 1.02 0.00 0.00 30.24 30.11 1ug6 n GLN 24 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1ug6 s GLU 25 N -2.81 1.55 -1.50 -1.09 2.02 -1.17 -4.80 118.70 110.90 1ug6 s GLU 25 Ca 0.39 -1.44 -0.10 0.00 0.02 0.00 0.00 54.97 53.84 1ug6 s GLU 25 Cb 0.38 -1.90 0.07 0.00 0.10 0.00 0.00 34.13 32.78 1ug6 s GLU 25 CO -0.05 0.42 0.82 -0.25 0.02 0.00 0.00 175.26 176.21 1ug6 n ASP 26 N 0.45 -3.20 0.00 -0.19 9.92 -1.26 -2.36 116.55 119.91 1ug6 n ASP 26 Ca -0.14 -0.86 0.00 0.00 -0.53 0.00 0.00 54.79 53.26 1ug6 n ASP 26 Cb 0.55 -3.60 0.00 0.00 -0.64 0.00 0.00 41.12 37.43 1ug6 n ASP 26 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ug6 n GLY 27 N -1.66 0.90 3.75 0.44 0.00 -1.26 -4.32 105.19 103.04 1ug6 n GLY 27 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1ug6 n GLY 27 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ug6 s ARG 28 N -0.14 4.19 0.54 1.61 3.52 -0.99 -4.76 118.95 122.90 1ug6 s ARG 28 Ca 0.00 2.46 -0.02 0.00 -0.13 0.00 0.00 55.73 58.04 1ug6 s ARG 28 Cb 0.00 -3.06 0.02 0.00 -1.56 0.00 0.00 34.95 30.35 1ug6 s ARG 28 CO 0.00 -0.53 0.79 0.20 -0.81 0.00 0.00 175.30 174.95 1ug6 s GLY 29 N 0.39 1.66 0.45 8.12 0.00 -0.37 -4.71 107.32 112.85 1ug6 s GLY 29 Ca 0.61 -1.03 -0.22 0.00 0.00 0.00 0.00 44.72 44.08 1ug6 s GLY 29 CO 0.47 -0.78 1.07 2.56 0.00 0.00 0.00 173.10 176.42 1ug6 s PRO 30 N -4.78 3.91 0.44 2.90 0.04 -1.26 -4.69 135.00 131.55 1ug6 s PRO 30 Ca 0.53 1.51 0.08 0.00 0.04 0.00 0.00 61.00 63.16 1ug6 s PRO 30 Cb -0.10 -2.32 -0.00 0.00 0.04 0.00 0.00 34.50 32.12 1ug6 s PRO 30 CO 0.40 -0.37 0.45 -1.54 0.04 0.00 0.00 177.00 175.99 1ug6 s SER 31 N -1.70 5.13 0.52 6.66 1.04 -1.26 -0.83 113.70 123.26 1ug6 s SER 31 Ca 0.63 -0.74 0.17 0.00 0.48 0.00 0.00 55.95 56.49 1ug6 s SER 31 Cb -0.21 -0.43 1.28 0.00 0.10 0.00 0.00 66.02 66.75 1ug6 s SER 31 CO 0.26 -0.77 2.13 0.16 0.98 0.00 0.00 173.24 176.00 1ug6 h ILE 32 N 0.87 0.98 -0.06 -1.02 3.07 -1.08 -1.71 117.51 118.56 1ug6 h ILE 32 Ca -0.40 -0.00 -0.15 0.00 1.55 0.00 0.00 64.86 65.85 1ug6 h ILE 32 Cb 1.27 0.97 -0.01 0.00 -0.27 0.00 0.00 36.82 38.78 1ug6 h ILE 32 CO 0.54 0.00 -0.65 -0.50 -1.05 0.00 0.00 178.15 176.49 1ug6 h TRP 33 N 0.01 0.30 -0.69 0.16 4.06 -1.84 -0.13 115.95 117.82 1ug6 h TRP 33 Ca 0.03 -0.13 -0.01 0.00 2.06 0.00 0.00 58.89 60.84 1ug6 h TRP 33 Cb 0.10 -0.05 -0.03 0.00 -1.00 0.00 0.00 29.16 28.17 1ug6 h TRP 33 CO -0.00 0.82 0.40 -0.44 -3.56 0.00 0.00 178.44 175.65 1ug6 h ASP 34 N 0.17 0.85 -0.14 -3.49 5.19 -1.71 -1.14 116.42 116.15 1ug6 h ASP 34 Ca -0.01 -0.08 -0.09 0.00 -0.62 0.00 0.00 57.03 56.22 1ug6 h ASP 34 Cb 1.18 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.47 1ug6 h ASP 34 CO 0.10 0.68 -0.28 0.00 -3.12 0.00 0.00 179.24 176.63 1ug6 h ALA 35 N 1.20 0.23 -1.00 3.45 0.00 -1.40 -3.25 119.26 118.49 1ug6 h ALA 35 Ca 0.25 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1ug6 h ALA 35 Cb 0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1ug6 h ALA 35 CO -0.04 0.23 0.66 0.35 0.00 0.00 0.00 179.25 180.45 1ug6 h PHE 36 N 0.05 1.26 0.00 0.00 3.57 -0.91 -1.78 116.94 119.12 1ug6 h PHE 36 Ca 0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1ug6 h PHE 36 Cb 0.87 -0.43 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1ug6 h PHE 36 CO 0.10 0.79 0.00 0.00 -2.23 0.00 0.00 178.31 176.97 1ug6 n ALA 37 N -2.38 1.67 1.05 2.41 0.00 -0.44 -1.46 120.51 121.37 1ug6 n ALA 37 Ca 0.12 -0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.66 1ug6 n ALA 37 Cb 0.01 -1.26 0.55 0.00 0.00 0.00 0.00 19.45 18.75 1ug6 n ALA 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ug6 n GLN 38 N -1.61 0.07 -2.84 0.00 1.13 -0.67 -4.85 117.38 108.61 1ug6 n GLN 38 Ca 0.03 -0.01 -0.41 0.00 -1.94 0.00 0.00 57.00 54.67 1ug6 n GLN 38 Cb 0.18 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.00 1ug6 n GLN 38 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1ug6 s ARG 39 N -2.94 4.42 0.28 -1.09 0.52 -0.53 -5.00 118.95 114.61 1ug6 s ARG 39 Ca 0.15 1.16 -0.30 0.00 -0.52 0.00 0.00 55.73 56.23 1ug6 s ARG 39 Cb 0.19 -3.51 -0.13 0.00 0.52 0.00 0.00 34.95 32.03 1ug6 s ARG 39 CO 0.56 -0.16 1.45 -2.30 0.02 0.00 0.00 175.30 174.86 1ug6 n PRO 40 N 4.50 2.29 0.00 3.54 -0.02 -1.26 -1.97 135.00 142.08 1ug6 n PRO 40 Ca 0.04 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1ug6 n PRO 40 Cb 0.50 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1ug6 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ug6 n GLY 41 N 1.80 2.37 0.25 -1.23 0.00 -1.26 -4.90 105.19 102.23 1ug6 n GLY 41 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 1ug6 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug6 h ALA 42 N 0.00 0.65 -3.37 4.61 0.00 -1.68 -3.43 119.26 116.04 1ug6 h ALA 42 Ca 0.00 -0.46 -0.67 0.00 0.00 0.00 0.00 54.91 53.78 1ug6 h ALA 42 Cb 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 17.79 17.37 1ug6 h ALA 42 CO 0.00 0.67 -0.83 0.42 0.00 0.00 0.00 179.25 179.51 1ug6 s ILE 43 N -4.33 2.52 0.25 0.00 -1.09 -1.26 -4.64 121.20 112.64 1ug6 s ILE 43 Ca -0.10 -0.86 -0.04 0.00 -2.23 0.00 0.00 60.65 57.43 1ug6 s ILE 43 Cb 0.11 -2.01 0.22 0.00 -1.58 0.00 0.00 42.46 39.20 1ug6 s ILE 43 CO 0.86 0.55 1.77 -0.09 -1.23 0.00 0.00 174.94 176.80 1ug6 h ARG 44 N 6.66 0.59 -0.68 2.79 2.43 -1.06 -1.15 114.38 123.96 1ug6 h ARG 44 Ca -0.23 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1ug6 h ARG 44 Cb 1.22 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1ug6 h ARG 44 CO 0.51 0.39 0.00 -0.40 -1.51 0.00 0.00 179.97 178.96 1ug6 n ASP 45 N -4.87 3.99 -1.30 -3.80 3.85 -1.26 -4.95 116.55 108.20 1ug6 n ASP 45 Ca 0.14 -2.07 -0.14 0.00 -0.71 0.00 0.00 54.79 52.01 1ug6 n ASP 45 Cb 0.37 -0.48 -0.04 0.00 -1.35 0.00 0.00 41.12 39.62 1ug6 n ASP 45 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ug6 n GLY 46 N 1.45 0.72 4.02 6.12 0.00 -0.43 -5.00 105.19 112.07 1ug6 n GLY 46 Ca 0.24 -0.34 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 1ug6 n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ug6 s SER 47 N -2.64 5.20 0.32 1.61 1.04 -1.26 -5.05 113.70 112.91 1ug6 s SER 47 Ca 0.00 -0.63 0.07 0.00 0.48 0.00 0.00 55.95 55.86 1ug6 s SER 47 Cb 0.00 -0.07 -0.03 0.00 0.10 0.00 0.00 66.02 66.03 1ug6 s SER 47 CO 0.00 -1.22 0.25 0.35 0.98 0.00 0.00 173.24 173.60 1ug6 n THR 48 N -2.19 0.00 1.44 2.02 -2.24 -1.26 -4.86 114.28 107.19 1ug6 n THR 48 Ca 0.13 -2.25 0.02 0.00 -2.27 0.00 0.00 64.05 59.68 1ug6 n THR 48 Cb 0.61 1.09 0.14 0.00 -2.10 0.00 0.00 70.33 70.07 1ug6 n THR 48 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ug6 n GLY 49 N -0.59 -0.72 3.22 3.38 0.00 -1.26 -4.55 105.19 104.67 1ug6 n GLY 49 Ca 0.06 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1ug6 n GLY 49 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ug6 s GLU 50 N -2.00 3.18 -0.03 1.61 2.56 -1.26 -2.67 118.70 120.09 1ug6 s GLU 50 Ca 0.07 -0.74 0.20 0.00 0.00 0.00 0.00 54.97 54.50 1ug6 s GLU 50 Cb 0.03 -2.74 0.62 0.00 2.00 0.00 0.00 34.13 34.04 1ug6 s GLU 50 CO 0.05 -0.16 1.52 -0.35 -0.56 0.00 0.00 175.26 175.77 1ug6 n PRO 51 N 4.56 2.85 0.00 4.30 -0.04 -1.26 -5.10 135.00 140.31 1ug6 n PRO 51 Ca -0.20 -2.50 0.00 0.00 -0.04 0.00 0.00 63.50 60.76 1ug6 n PRO 51 Cb 0.51 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1ug6 n PRO 51 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ug6 n ALA 52 N 1.36 0.00 -0.38 0.55 0.00 -1.09 -1.23 120.51 119.72 1ug6 n ALA 52 Ca 0.23 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.78 1ug6 n ALA 52 Cb 0.65 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.41 1ug6 n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ug6 n ASP 54 N 1.53 -4.55 0.09 0.00 2.03 -0.37 -4.83 116.55 110.46 1ug6 n ASP 54 Ca 0.24 -0.10 -0.00 0.00 0.52 0.00 0.00 54.79 55.45 1ug6 n ASP 54 Cb 0.63 -3.78 0.29 0.00 -0.72 0.00 0.00 41.12 37.55 1ug6 n ASP 54 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 1ug6 h HIS 55 N -0.57 0.30 -0.86 -0.67 -0.00 -1.07 -0.65 115.15 111.63 1ug6 h HIS 55 Ca -0.41 -0.06 0.16 0.00 -0.00 0.00 0.00 60.37 60.06 1ug6 h HIS 55 Cb 1.29 -0.08 -0.07 0.00 -0.00 0.00 0.00 27.41 28.55 1ug6 h HIS 55 CO 0.64 0.52 0.56 -0.92 -0.00 0.00 0.00 177.93 178.73 1ug6 h TYR 56 N 0.25 0.69 0.03 5.26 3.20 -1.63 -1.22 116.97 123.53 1ug6 h TYR 56 Ca 0.04 0.02 -0.32 0.00 3.14 0.00 0.00 58.73 61.60 1ug6 h TYR 56 Cb 0.60 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 38.61 1ug6 h TYR 56 CO 0.01 0.24 -1.91 0.54 -1.64 0.00 0.00 178.16 175.40 1ug6 n ARG 57 N -4.54 0.67 -0.51 1.82 5.12 -0.84 -4.56 116.66 113.81 1ug6 n ARG 57 Ca 0.17 0.24 0.09 0.00 -1.93 0.00 0.00 57.85 56.42 1ug6 n ARG 57 Cb 0.53 -1.72 0.32 0.00 -1.16 0.00 0.00 32.46 30.42 1ug6 n ARG 57 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1ug6 n ARG 58 N -3.11 3.45 -0.00 5.56 1.74 -0.31 -4.64 116.66 119.35 1ug6 n ARG 58 Ca -0.24 -2.75 0.07 0.00 -0.77 0.00 0.00 57.85 54.16 1ug6 n ARG 58 Cb 1.06 -1.77 0.48 0.00 -1.02 0.00 0.00 32.46 31.21 1ug6 n ARG 58 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 1ug6 h TYR 59 N 3.59 0.43 -0.51 -1.55 -0.00 -1.48 -1.87 116.97 115.58 1ug6 h TYR 59 Ca 0.00 0.01 -0.06 0.00 -0.00 0.00 0.00 58.73 58.68 1ug6 h TYR 59 Cb 1.31 -0.14 -0.02 0.00 -0.00 0.00 0.00 36.73 37.88 1ug6 h TYR 59 CO 0.64 0.25 0.09 0.93 -0.00 0.00 0.00 178.16 180.07 1ug6 h GLU 60 N 0.44 0.84 -0.70 0.10 4.39 -1.88 -0.28 114.58 117.50 1ug6 h GLU 60 Ca 0.18 -0.22 0.04 0.00 0.34 0.00 0.00 59.36 59.70 1ug6 h GLU 60 Cb 0.17 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.67 1ug6 h GLU 60 CO -0.04 0.83 0.43 1.49 -1.16 0.00 0.00 179.01 180.55 1ug6 h GLU 61 N 0.73 0.79 -0.53 2.33 4.81 -1.72 -1.26 114.58 119.73 1ug6 h GLU 61 Ca 0.16 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.24 1ug6 h GLU 61 Cb 0.39 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1ug6 h GLU 61 CO 0.01 0.52 -0.06 -0.44 -0.73 0.00 0.00 179.01 178.31 1ug6 h ASP 62 N 0.81 0.93 -0.77 1.04 3.32 -0.97 -1.32 116.42 119.46 1ug6 h ASP 62 Ca 0.29 -0.27 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 1ug6 h ASP 62 Cb 0.09 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 1ug6 h ASP 62 CO -0.14 1.02 0.30 0.40 -1.72 0.00 0.00 179.24 179.10 1ug6 h ILE 63 N 0.86 1.26 -0.48 0.35 2.04 -0.78 -1.99 117.51 118.76 1ug6 h ILE 63 Ca 0.15 -0.83 -0.03 0.00 1.00 0.00 0.00 64.86 65.15 1ug6 h ILE 63 Cb 0.58 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1ug6 h ILE 63 CO 0.04 0.34 0.16 0.00 0.00 0.00 0.00 178.15 178.68 1ug6 h ALA 64 N 1.16 1.38 -0.32 1.87 0.00 -0.72 -0.18 119.26 122.45 1ug6 h ALA 64 Ca 0.26 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1ug6 h ALA 64 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ug6 h ALA 64 CO -0.02 0.46 0.15 -0.07 0.00 0.00 0.00 179.25 179.77 1ug6 h LEU 65 N 0.69 0.42 -0.53 0.00 3.38 -0.83 -0.83 115.31 117.61 1ug6 h LEU 65 Ca 0.16 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1ug6 h LEU 65 Cb 0.19 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1ug6 h LEU 65 CO -0.01 0.44 0.30 0.24 0.09 0.00 0.00 178.44 179.50 1ug6 h MET 66 N 0.37 0.57 -0.79 1.13 2.86 -0.72 -2.15 114.93 116.21 1ug6 h MET 66 Ca 0.11 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1ug6 h MET 66 Cb 0.13 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 1ug6 h MET 66 CO -0.01 0.38 0.42 0.37 1.06 0.00 0.00 176.91 179.13 1ug6 h GLN 67 N 0.59 1.10 -0.06 1.72 4.15 -0.79 -2.07 115.11 119.75 1ug6 h GLN 67 Ca 0.22 -0.13 -0.06 0.00 0.77 0.00 0.00 58.65 59.46 1ug6 h GLN 67 Cb 0.07 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 1ug6 h GLN 67 CO -0.12 0.81 -0.23 0.66 -1.93 0.00 0.00 178.83 178.02 1ug6 h SER 68 N 1.10 0.09 0.87 -0.69 4.64 -0.53 -1.87 113.55 117.17 1ug6 h SER 68 Ca 0.28 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1ug6 h SER 68 Cb 0.04 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1ug6 h SER 68 CO -0.04 0.33 -0.12 0.18 -0.87 0.00 0.00 176.83 176.30 1ug6 n LEU 69 N -4.23 0.12 0.00 5.97 4.77 -0.85 -4.93 117.00 117.86 1ug6 n LEU 69 Ca -0.02 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1ug6 n LEU 69 Cb 0.31 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1ug6 n LEU 69 CO 0.38 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1ug6 n GLY 70 N 1.50 0.44 3.74 -0.72 0.00 -0.70 -4.26 105.19 105.18 1ug6 n GLY 70 Ca 0.07 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 1ug6 n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ug6 s VAL 71 N -2.00 2.20 -0.93 1.61 1.01 -0.84 -4.92 120.40 116.53 1ug6 s VAL 71 Ca 0.00 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.22 1ug6 s VAL 71 Cb 0.00 -3.11 0.05 0.00 0.00 0.00 0.00 36.38 33.33 1ug6 s VAL 71 CO 0.00 0.02 0.72 0.54 0.00 0.00 0.00 175.10 176.38 1ug6 n ARG 72 N 2.55 0.38 -3.84 2.72 5.12 -0.26 -4.65 116.66 118.68 1ug6 n ARG 72 Ca 0.09 -0.90 -0.12 0.00 -1.93 0.00 0.00 57.85 54.99 1ug6 n ARG 72 Cb 0.38 -1.13 -0.11 0.00 -1.16 0.00 0.00 32.46 30.44 1ug6 n ARG 72 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ug6 s ALA 73 N -0.71 -0.40 -0.17 7.54 0.00 -1.02 -0.63 121.76 126.37 1ug6 s ALA 73 Ca 0.09 0.23 -0.00 0.00 0.00 0.00 0.00 51.96 52.27 1ug6 s ALA 73 Cb 0.06 -0.11 0.04 0.00 0.00 0.00 0.00 23.12 23.11 1ug6 s ALA 73 CO 0.11 -0.14 -0.06 -0.47 0.00 0.00 0.00 175.76 175.19 1ug6 s TYR 74 N -0.57 1.80 -0.24 0.00 5.04 -0.45 -2.77 117.35 120.16 1ug6 s TYR 74 Ca -0.07 -1.14 -0.17 0.00 -2.44 0.00 0.00 57.07 53.26 1ug6 s TYR 74 Cb -0.04 -1.37 -0.03 0.00 0.35 0.00 0.00 41.96 40.87 1ug6 s TYR 74 CO 0.01 -0.63 0.46 0.50 -1.34 0.00 0.00 175.55 174.55 1ug6 s ARG 75 N 1.60 4.09 0.15 4.97 3.52 -0.14 -1.04 118.95 132.10 1ug6 s ARG 75 Ca 0.01 0.24 -0.04 0.00 -0.13 0.00 0.00 55.73 55.82 1ug6 s ARG 75 Cb -0.15 -3.62 -0.03 0.00 -1.56 0.00 0.00 34.95 29.59 1ug6 s ARG 75 CO -0.08 -0.24 0.14 -0.59 -0.81 0.00 0.00 175.30 173.72 1ug6 s PHE 76 N 1.95 0.75 0.19 5.12 -0.71 -0.90 -0.70 117.98 123.68 1ug6 s PHE 76 Ca 0.20 -1.11 0.09 0.00 -1.04 0.00 0.00 56.93 55.07 1ug6 s PHE 76 Cb -0.15 -0.35 -0.04 0.00 -1.21 0.00 0.00 43.02 41.26 1ug6 s PHE 76 CO 0.09 -0.60 -0.12 -1.54 -1.34 0.00 0.00 175.22 171.71 1ug6 s SER 77 N -3.04 4.10 -0.10 1.98 1.04 -1.25 -0.37 113.70 116.06 1ug6 s SER 77 Ca 0.24 -0.64 -0.16 0.00 0.48 0.00 0.00 55.95 55.86 1ug6 s SER 77 Cb 0.06 -0.63 -0.05 0.00 0.10 0.00 0.00 66.02 65.50 1ug6 s SER 77 CO 0.03 0.10 0.42 -0.69 0.98 0.00 0.00 173.24 174.07 1ug6 s VAL 78 N -1.73 5.18 -0.48 5.02 1.01 -0.68 -4.13 120.40 124.58 1ug6 s VAL 78 Ca 0.24 0.83 -0.28 0.00 0.00 0.00 0.00 61.98 62.77 1ug6 s VAL 78 Cb -0.08 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.58 1ug6 s VAL 78 CO 0.14 0.40 1.11 0.00 0.00 0.00 0.00 175.10 176.76 1ug6 s ALA 79 N 0.16 3.16 0.23 5.51 0.00 -1.26 -4.65 121.76 124.91 1ug6 s ALA 79 Ca 0.23 -0.52 -0.09 0.00 0.00 0.00 0.00 51.96 51.57 1ug6 s ALA 79 Cb -0.15 -3.86 0.35 0.00 0.00 0.00 0.00 23.12 19.46 1ug6 s ALA 79 CO 0.09 -2.24 1.65 2.35 0.00 0.00 0.00 175.76 177.62 1ug6 h TRP 80 N 9.21 -0.05 0.00 0.00 2.91 -1.80 0.76 115.95 126.99 1ug6 h TRP 80 Ca -0.23 0.05 0.00 0.00 1.13 0.00 0.00 58.89 59.84 1ug6 h TRP 80 Cb 1.06 0.13 0.00 0.00 -0.51 0.00 0.00 29.16 29.84 1ug6 h TRP 80 CO 0.96 -0.19 0.00 -0.35 -1.03 0.00 0.00 178.44 177.83 1ug6 n PRO 81 N -5.30 0.12 0.22 2.65 -0.04 -1.26 -0.96 135.00 130.43 1ug6 n PRO 81 Ca 0.11 0.13 0.12 0.00 -0.04 0.00 0.00 63.50 63.82 1ug6 n PRO 81 Cb 0.40 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.53 1ug6 n PRO 81 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1ug6 h ARG 82 N 0.00 0.00 0.00 0.54 2.43 -1.12 -0.97 114.38 115.25 1ug6 h ARG 82 Ca 0.00 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.83 1ug6 h ARG 82 Cb 0.28 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.78 1ug6 h ARG 82 CO 0.00 0.00 -1.91 -0.89 -1.51 0.00 0.00 179.97 175.66 1ug6 n ILE 83 N -3.09 1.53 -3.85 1.20 2.08 -0.32 -4.02 119.36 112.89 1ug6 n ILE 83 Ca 0.04 -0.20 -0.30 0.00 0.56 0.00 0.00 62.75 62.85 1ug6 n ILE 83 Cb 0.53 -1.97 -0.14 0.00 -0.75 0.00 0.00 39.64 37.31 1ug6 n ILE 83 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1ug6 s LEU 84 N -7.69 3.55 0.53 1.39 1.02 -0.13 -0.36 118.68 116.99 1ug6 s LEU 84 Ca -0.34 -2.54 0.19 0.00 0.02 0.00 0.00 54.13 51.47 1ug6 s LEU 84 Cb 0.10 -1.32 1.37 0.00 0.02 0.00 0.00 46.19 46.36 1ug6 s LEU 84 CO 0.53 -0.30 2.15 -0.65 0.02 0.00 0.00 176.35 178.11 1ug6 h PRO 85 N 6.99 0.00 -0.66 1.29 0.11 -1.70 0.48 132.00 138.51 1ug6 h PRO 85 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1ug6 h PRO 85 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1ug6 h PRO 85 CO 0.56 0.03 0.00 0.39 -0.21 0.00 0.00 178.00 178.76 1ug6 n GLU 86 N -4.32 3.07 0.00 1.05 4.71 -1.26 -4.40 120.64 119.48 1ug6 n GLU 86 Ca -0.03 -2.68 0.00 0.00 -0.01 0.00 0.00 57.16 54.44 1ug6 n GLU 86 Cb 0.11 -1.65 0.00 0.00 -1.01 0.00 0.00 31.44 28.90 1ug6 n GLU 86 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ug6 n GLY 87 N 1.33 2.11 3.10 0.62 0.00 0.16 -4.39 105.19 108.12 1ug6 n GLY 87 Ca 0.24 -0.34 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 1ug6 n GLY 87 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ug6 s ARG 88 N 0.00 0.64 4.39 1.61 0.52 -1.26 -4.86 118.95 119.99 1ug6 s ARG 88 Ca 0.00 -1.23 0.00 0.00 -0.52 0.00 0.00 55.73 53.98 1ug6 s ARG 88 Cb 0.00 0.16 0.00 0.00 0.52 0.00 0.00 34.95 35.63 1ug6 s ARG 88 CO 0.00 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.63 1ug6 n GLY 89 N 0.11 1.50 3.66 -3.53 0.00 -1.26 -4.90 105.19 100.76 1ug6 n GLY 89 Ca -0.14 -0.50 -0.45 0.00 0.00 0.00 0.00 46.02 44.93 1ug6 n GLY 89 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ug6 n ARG 90 N 0.99 1.88 -3.97 1.61 0.63 -1.26 -4.99 116.66 111.56 1ug6 n ARG 90 Ca 0.00 0.67 -0.35 0.00 -0.92 0.00 0.00 57.85 57.24 1ug6 n ARG 90 Cb 0.00 -2.29 -0.06 0.00 0.45 0.00 0.00 32.46 30.56 1ug6 n ARG 90 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1ug6 s ILE 91 N -0.14 5.27 -0.60 5.15 1.01 -1.26 -4.06 121.20 126.57 1ug6 s ILE 91 Ca 0.68 0.01 -0.10 0.00 0.00 0.00 0.00 60.65 61.23 1ug6 s ILE 91 Cb -0.68 -3.34 0.15 0.00 0.01 0.00 0.00 42.46 38.60 1ug6 s ILE 91 CO 0.51 0.52 0.50 0.21 0.00 0.00 0.00 174.94 176.68 1ug6 s ASN 92 N -1.30 5.97 0.34 3.58 2.47 0.52 -4.98 114.94 121.54 1ug6 s ASN 92 Ca 0.19 -2.27 0.04 0.00 0.42 0.00 0.00 52.86 51.24 1ug6 s ASN 92 Cb -0.12 -2.06 0.67 0.00 -1.45 0.00 0.00 41.25 38.29 1ug6 s ASN 92 CO 0.08 -0.63 1.92 -0.65 -3.72 0.00 0.00 177.10 174.11 1ug6 h PRO 93 N 8.08 0.82 -0.09 0.43 0.11 -1.89 -1.58 132.00 137.87 1ug6 h PRO 93 Ca -0.11 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.89 1ug6 h PRO 93 Cb 1.05 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1ug6 h PRO 93 CO 0.83 0.54 -0.25 0.87 -0.21 0.00 0.00 178.00 179.78 1ug6 h LYS 94 N 0.85 0.16 -0.13 1.05 1.57 -1.91 -0.34 116.57 117.82 1ug6 h LYS 94 Ca 0.37 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.07 1ug6 h LYS 94 Cb 0.32 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1ug6 h LYS 94 CO -0.14 0.41 -0.02 0.78 -0.57 0.00 0.00 179.45 179.92 1ug6 h GLY 95 N 0.92 0.25 1.01 3.86 0.00 -1.43 -1.63 103.07 106.05 1ug6 h GLY 95 Ca 0.02 -0.20 0.01 0.00 0.00 0.00 0.00 47.33 47.16 1ug6 h GLY 95 CO 0.04 0.18 0.66 -2.00 0.00 0.00 0.00 176.54 175.42 1ug6 h LEU 96 N -0.06 1.16 -1.03 3.11 5.85 -1.30 -2.57 115.31 120.47 1ug6 h LEU 96 Ca 0.03 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1ug6 h LEU 96 Cb 0.41 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1ug6 h LEU 96 CO 0.01 0.84 0.20 0.00 -0.34 0.00 0.00 178.44 179.15 1ug6 h ALA 97 N 1.36 1.22 0.17 1.25 0.00 -0.95 -0.76 119.26 121.57 1ug6 h ALA 97 Ca 0.37 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1ug6 h ALA 97 Cb -0.15 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.40 1ug6 h ALA 97 CO -0.08 0.55 -0.09 0.35 0.00 0.00 0.00 179.25 179.99 1ug6 h PHE 98 N 0.87 -0.22 -0.14 0.00 3.57 -0.89 -1.09 116.94 119.04 1ug6 h PHE 98 Ca 0.20 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.58 1ug6 h PHE 98 Cb 0.24 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1ug6 h PHE 98 CO 0.02 -0.14 -0.41 1.88 -2.23 0.00 0.00 178.31 177.43 1ug6 h TYR 99 N -0.24 0.37 -0.32 0.41 0.05 -1.31 -0.20 116.97 115.73 1ug6 h TYR 99 Ca -0.02 -0.10 0.02 0.00 0.05 0.00 0.00 58.73 58.68 1ug6 h TYR 99 Cb 0.18 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 37.82 1ug6 h TYR 99 CO -0.07 0.68 0.16 0.22 -1.05 0.00 0.00 178.16 178.10 1ug6 h ASP 100 N 0.26 0.24 -0.45 3.88 3.58 -0.98 -0.71 116.42 122.23 1ug6 h ASP 100 Ca 0.02 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.40 1ug6 h ASP 100 Cb 0.84 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 1ug6 h ASP 100 CO 0.07 0.18 -0.08 -0.09 -2.88 0.00 0.00 179.24 176.44 1ug6 h ARG 101 N 0.34 0.85 -0.36 0.28 2.43 -0.89 -1.99 114.38 115.04 1ug6 h ARG 101 Ca 0.13 -0.31 0.06 0.00 -0.81 0.00 0.00 59.98 59.05 1ug6 h ARG 101 Cb 0.04 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.48 1ug6 h ARG 101 CO -0.09 0.94 0.03 1.25 -1.51 0.00 0.00 179.97 180.59 1ug6 h LEU 102 N 0.69 -0.09 -0.36 3.80 5.85 -0.79 -0.16 115.31 124.25 1ug6 h LEU 102 Ca 0.12 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 1ug6 h LEU 102 Cb 0.61 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 1ug6 h LEU 102 CO 0.04 -0.01 0.22 0.58 -0.34 0.00 0.00 178.44 178.92 1ug6 h VAL 103 N 0.13 1.12 -0.77 1.05 2.07 -1.02 0.01 116.25 118.84 1ug6 h VAL 103 Ca 0.18 -0.27 0.08 0.00 0.82 0.00 0.00 66.70 67.50 1ug6 h VAL 103 Cb 0.23 0.66 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 1ug6 h VAL 103 CO -0.27 0.12 0.44 0.44 0.02 0.00 0.00 177.57 178.31 1ug6 h ASP 104 N 0.47 0.64 0.06 0.57 3.32 -0.84 -1.51 116.42 119.12 1ug6 h ASP 104 Ca 0.13 0.04 -0.15 0.00 0.02 0.00 0.00 57.03 57.07 1ug6 h ASP 104 Cb 0.00 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1ug6 h ASP 104 CO -0.02 0.39 -0.50 0.03 -1.72 0.00 0.00 179.24 177.41 1ug6 h ARG 105 N 0.76 0.50 0.04 3.56 2.47 -0.50 -1.25 114.38 119.96 1ug6 h ARG 105 Ca 0.36 -0.29 -0.00 0.00 -1.26 0.00 0.00 59.98 58.79 1ug6 h ARG 105 Cb 0.28 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 1ug6 h ARG 105 CO -0.22 0.88 -0.02 -0.07 0.56 0.00 0.00 179.97 181.11 1ug6 h LEU 106 N 0.39 -0.04 -1.03 3.04 3.38 -0.63 -2.38 115.31 118.04 1ug6 h LEU 106 Ca 0.02 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1ug6 h LEU 106 Cb 1.01 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.72 1ug6 h LEU 106 CO 0.09 0.00 0.66 -0.07 0.09 0.00 0.00 178.44 179.21 1ug6 h LEU 107 N -0.08 1.12 -2.04 1.67 4.07 -1.11 -0.93 115.31 118.02 1ug6 h LEU 107 Ca -0.01 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.91 1ug6 h LEU 107 Cb 0.07 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.53 1ug6 h LEU 107 CO 0.01 0.80 -0.09 0.00 -1.08 0.00 0.00 178.44 178.08 1ug6 h ALA 108 N 1.39 1.26 -0.65 1.53 0.00 -1.01 -1.80 119.26 119.98 1ug6 h ALA 108 Ca 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1ug6 h ALA 108 Cb -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ug6 h ALA 108 CO -0.09 0.11 0.00 0.43 0.00 0.00 0.00 179.25 179.69 1ug6 n SER 109 N -3.58 3.81 -0.57 0.00 7.64 -0.65 -4.96 113.62 115.32 1ug6 n SER 109 Ca -0.02 -2.00 -0.06 0.00 1.01 0.00 0.00 58.87 57.81 1ug6 n SER 109 Cb 0.21 -0.43 -0.01 0.00 -1.01 0.00 0.00 64.21 62.97 1ug6 n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ug6 n GLY 110 N 1.63 0.45 3.41 0.23 0.00 -0.68 -4.91 105.19 105.32 1ug6 n GLY 110 Ca 0.23 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 1ug6 n GLY 110 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ug6 s ILE 111 N -2.26 3.40 -0.12 -0.61 1.01 -0.45 -4.79 121.20 117.38 1ug6 s ILE 111 Ca 0.00 -0.53 -0.29 0.00 0.00 0.00 0.00 60.65 59.83 1ug6 s ILE 111 Cb 0.00 -2.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.99 1ug6 s ILE 111 CO 0.00 0.50 1.14 -0.89 0.00 0.00 0.00 174.94 175.69 1ug6 s THR 112 N 0.50 4.46 0.17 2.92 2.01 0.20 -3.78 115.64 122.13 1ug6 s THR 112 Ca -0.06 1.76 -0.30 0.00 0.31 0.00 0.00 61.69 63.39 1ug6 s THR 112 Cb -0.15 -4.13 -0.08 0.00 0.01 0.00 0.00 72.50 68.15 1ug6 s THR 112 CO 0.03 -0.06 1.24 -2.84 -0.69 0.00 0.00 174.62 172.30 1ug6 s PRO 113 N 2.65 4.45 -0.42 4.92 0.02 -1.26 -1.34 135.00 144.02 1ug6 s PRO 113 Ca 0.52 1.92 0.02 0.00 0.02 0.00 0.00 61.00 63.48 1ug6 s PRO 113 Cb -0.21 -3.24 0.12 0.00 0.02 0.00 0.00 34.50 31.20 1ug6 s PRO 113 CO 0.16 -0.17 0.20 0.12 -0.33 0.00 0.00 177.00 176.98 1ug6 s PHE 114 N 0.17 2.30 -0.18 6.54 2.19 -0.21 -3.94 117.98 124.84 1ug6 s PHE 114 Ca 0.55 -2.47 -0.11 0.00 0.33 0.00 0.00 56.93 55.23 1ug6 s PHE 114 Cb -0.34 -2.11 -0.05 0.00 -1.31 0.00 0.00 43.02 39.22 1ug6 s PHE 114 CO 0.36 -0.81 0.18 -1.17 1.83 0.00 0.00 175.22 175.61 1ug6 s LEU 115 N 0.55 4.24 -0.23 6.12 0.20 -0.42 -2.11 118.68 127.03 1ug6 s LEU 115 Ca 0.15 0.34 -0.09 0.00 0.69 0.00 0.00 54.13 55.22 1ug6 s LEU 115 Cb -0.23 -2.17 -0.05 0.00 -0.43 0.00 0.00 46.19 43.32 1ug6 s LEU 115 CO -0.05 0.18 0.13 -0.89 -0.29 0.00 0.00 176.35 175.43 1ug6 s THR 116 N 0.22 5.14 -0.03 3.68 2.01 0.50 -0.45 115.64 126.71 1ug6 s THR 116 Ca 0.11 0.10 -0.22 0.00 0.31 0.00 0.00 61.69 61.99 1ug6 s THR 116 Cb -0.12 -3.38 -0.28 0.00 0.01 0.00 0.00 72.50 68.74 1ug6 s THR 116 CO 0.00 0.38 0.97 -0.07 -0.69 0.00 0.00 174.62 175.21 1ug6 h LEU 117 N 7.36 0.45 -7.70 4.42 3.38 -1.02 -1.81 115.31 120.39 1ug6 h LEU 117 Ca -0.38 -0.87 -0.65 0.00 0.09 0.00 0.00 57.88 56.07 1ug6 h LEU 117 Cb 1.17 -0.14 -0.39 0.00 0.09 0.00 0.00 40.66 41.39 1ug6 h LEU 117 CO 0.66 1.28 -0.77 -0.47 0.09 0.00 0.00 178.44 179.24 1ug6 s TYR 118 N -2.76 3.12 -0.50 1.13 5.04 -0.29 -4.45 117.35 118.64 1ug6 s TYR 118 Ca -0.14 -2.39 0.07 0.00 -2.44 0.00 0.00 57.07 52.17 1ug6 s TYR 118 Cb 0.02 -2.18 0.38 0.00 0.35 0.00 0.00 41.96 40.52 1ug6 s TYR 118 CO 0.82 -0.88 0.98 1.58 -1.34 0.00 0.00 175.55 176.71 1ug6 n HIS 119 N 4.46 3.28 -0.14 4.97 -0.00 -1.26 -0.95 115.22 125.57 1ug6 n HIS 119 Ca -0.06 -3.61 0.00 0.00 0.46 0.00 0.00 57.72 54.51 1ug6 n HIS 119 Cb 0.42 -0.34 0.00 0.00 -0.12 0.00 0.00 29.99 29.96 1ug6 n HIS 119 CO 0.00 0.00 0.00 0.91 0.46 0.00 0.00 176.34 177.71 1ug6 n TRP 120 N -0.26 0.00 -2.25 1.57 8.01 -1.26 -4.85 117.44 118.40 1ug6 n TRP 120 Ca 0.32 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 56.11 1ug6 n TRP 120 Cb 0.54 0.00 0.01 0.00 -2.01 0.00 0.00 31.31 29.84 1ug6 n TRP 120 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 1ug6 n ASP 121 N 0.00 7.67 -4.72 -0.99 5.75 -1.26 -4.71 116.55 118.29 1ug6 n ASP 121 Ca 0.00 -3.41 -0.43 0.00 -0.01 0.00 0.00 54.79 50.94 1ug6 n ASP 121 Cb 0.00 -1.26 -0.02 0.00 -1.03 0.00 0.00 41.12 38.81 1ug6 n ASP 121 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1ug6 n LEU 122 N 0.82 3.96 -4.67 -2.12 7.94 -1.26 -4.38 117.00 117.30 1ug6 n LEU 122 Ca 0.55 1.15 -0.45 0.00 -1.11 0.00 0.00 56.01 56.14 1ug6 n LEU 122 Cb 0.26 -1.54 -0.03 0.00 0.53 0.00 0.00 43.42 42.64 1ug6 n LEU 122 CO 0.59 -0.05 1.07 -2.65 -1.11 0.00 0.00 177.39 175.24 1ug6 n PRO 123 N 2.12 2.04 0.03 1.96 -0.02 -1.26 -0.51 135.00 139.35 1ug6 n PRO 123 Ca 0.09 0.73 0.06 0.00 -2.02 0.00 0.00 63.50 62.37 1ug6 n PRO 123 Cb 0.35 -2.42 0.48 0.00 -0.02 0.00 0.00 33.50 31.89 1ug6 n PRO 123 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1ug6 h LEU 124 N 4.77 0.37 -1.58 2.45 5.85 -1.21 -1.28 115.31 124.68 1ug6 h LEU 124 Ca -0.45 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 1ug6 h LEU 124 Cb 1.27 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 1ug6 h LEU 124 CO 0.80 0.26 0.17 0.00 -0.34 0.00 0.00 178.44 179.33 1ug6 h ALA 125 N 1.78 1.68 -0.06 1.25 0.00 -1.83 -1.00 119.26 121.07 1ug6 h ALA 125 Ca 0.15 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.77 1ug6 h ALA 125 Cb 0.07 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1ug6 h ALA 125 CO -0.03 0.27 -0.87 -0.07 0.00 0.00 0.00 179.25 178.55 1ug6 h LEU 126 N 0.46 0.72 -1.30 0.00 3.38 -1.44 -3.20 115.31 113.92 1ug6 h LEU 126 Ca 0.12 -0.52 0.06 0.00 0.09 0.00 0.00 57.88 57.63 1ug6 h LEU 126 Cb 0.03 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 1ug6 h LEU 126 CO -0.02 1.30 0.51 -0.08 0.09 0.00 0.00 178.44 180.24 1ug6 h GLU 127 N 0.36 0.84 0.00 1.13 4.57 -1.04 -0.15 114.58 120.30 1ug6 h GLU 127 Ca -0.07 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.06 1ug6 h GLU 127 Cb 1.49 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 29.89 1ug6 h GLU 127 CO 0.16 0.55 -0.02 0.93 -1.18 0.00 0.00 179.01 179.46 1ug6 h GLU 128 N 0.86 0.00 -0.67 1.92 4.39 -1.21 -1.10 114.58 118.76 1ug6 h GLU 128 Ca 0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.03 1ug6 h GLU 128 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1ug6 h GLU 128 CO -0.11 0.02 0.00 0.54 -1.16 0.00 0.00 179.01 178.30 1ug6 n ARG 129 N -3.64 3.41 0.00 2.33 1.74 -0.66 -4.91 116.66 114.93 1ug6 n ARG 129 Ca -0.03 -2.81 0.00 0.00 -0.77 0.00 0.00 57.85 54.25 1ug6 n ARG 129 Cb 0.11 -1.78 0.00 0.00 -1.02 0.00 0.00 32.46 29.77 1ug6 n ARG 129 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ug6 n GLY 130 N 1.26 0.89 7.00 -0.13 0.00 -0.42 -4.75 105.19 109.04 1ug6 n GLY 130 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1ug6 n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ug6 n GLY 131 N -0.78 2.58 0.00 -0.02 0.00 -0.16 -0.96 105.19 105.85 1ug6 n GLY 131 Ca 0.00 -0.33 0.06 0.00 0.00 0.00 0.00 46.02 45.75 1ug6 n GLY 131 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ug6 n TRP 132 N 14.00 0.00 0.56 1.61 7.02 -1.26 -1.62 117.44 137.75 1ug6 n TRP 132 Ca 0.00 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.61 1ug6 n TRP 132 Cb 0.00 -0.45 0.44 0.00 -2.42 0.00 0.00 31.31 28.88 1ug6 n TRP 132 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1ug6 n ARG 133 N -1.45 0.22 -3.59 -0.99 3.00 -0.13 -3.69 116.66 110.03 1ug6 n ARG 133 Ca 0.04 0.28 -0.36 0.00 -0.01 0.00 0.00 57.85 57.79 1ug6 n ARG 133 Cb 0.13 -1.81 -0.08 0.00 0.00 0.00 0.00 32.46 30.71 1ug6 n ARG 133 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1ug6 s SER 134 N -4.33 6.32 0.43 0.55 0.15 -0.64 -4.85 113.70 111.33 1ug6 s SER 134 Ca 0.08 0.37 0.13 0.00 0.70 0.00 0.00 55.95 57.24 1ug6 s SER 134 Cb 0.11 -2.15 1.02 0.00 -1.71 0.00 0.00 66.02 63.29 1ug6 s SER 134 CO 0.51 0.09 1.98 -0.09 1.20 0.00 0.00 173.24 176.93 1ug6 h ARG 135 N 6.89 0.41 -0.17 5.44 2.43 -1.86 -1.33 114.38 126.20 1ug6 h ARG 135 Ca -0.40 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 58.79 1ug6 h ARG 135 Cb 1.16 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 1ug6 h ARG 135 CO 0.74 0.27 0.13 0.93 -1.51 0.00 0.00 179.97 180.53 1ug6 h GLU 136 N 0.43 0.00 -0.17 0.20 4.39 -1.93 -1.61 114.58 115.88 1ug6 h GLU 136 Ca 0.28 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.93 1ug6 h GLU 136 Cb 0.54 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1ug6 h GLU 136 CO -0.08 0.00 -0.14 1.15 -1.16 0.00 0.00 179.01 178.78 1ug6 h THR 137 N 0.00 1.19 -0.63 1.13 2.02 -1.47 -0.72 112.91 114.44 1ug6 h THR 137 Ca 0.08 -0.86 -0.02 0.00 0.77 0.00 0.00 66.41 66.39 1ug6 h THR 137 Cb 0.34 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 1ug6 h THR 137 CO -0.00 0.27 0.33 0.00 0.37 0.00 0.00 175.52 176.49 1ug6 h ALA 138 N 1.60 0.81 -0.54 6.16 0.00 -1.43 0.01 119.26 125.86 1ug6 h ALA 138 Ca 0.05 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1ug6 h ALA 138 Cb 0.41 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1ug6 h ALA 138 CO 0.02 0.34 -0.09 0.74 0.00 0.00 0.00 179.25 180.27 1ug6 h PHE 139 N 0.86 1.13 -0.86 0.00 0.04 -1.46 -2.04 116.94 114.60 1ug6 h PHE 139 Ca 0.22 -0.23 0.02 0.00 2.80 0.00 0.00 57.97 60.78 1ug6 h PHE 139 Cb 0.07 -0.28 -0.05 0.00 2.20 0.00 0.00 35.95 37.90 1ug6 h PHE 139 CO -0.00 1.04 0.56 0.00 -0.60 0.00 0.00 178.31 179.31 1ug6 h ALA 140 N 0.93 1.10 -0.45 2.45 0.00 -0.90 -2.03 119.26 120.36 1ug6 h ALA 140 Ca 0.14 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1ug6 h ALA 140 Cb 0.65 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1ug6 h ALA 140 CO 0.04 0.46 0.29 0.35 0.00 0.00 0.00 179.25 180.40 1ug6 h PHE 141 N 1.13 0.55 -0.58 0.00 3.57 -0.75 -1.35 116.94 119.51 1ug6 h PHE 141 Ca 0.32 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.79 1ug6 h PHE 141 Cb -0.09 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 1ug6 h PHE 141 CO -0.01 0.34 0.17 0.00 -2.23 0.00 0.00 178.31 176.58 1ug6 h ALA 142 N 1.18 1.21 -0.67 2.41 0.00 -0.98 0.48 119.26 122.90 1ug6 h ALA 142 Ca 0.17 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1ug6 h ALA 142 Cb -0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1ug6 h ALA 142 CO -0.05 0.55 0.24 0.93 0.00 0.00 0.00 179.25 180.92 1ug6 h GLU 143 N 0.85 1.02 -0.20 0.00 5.08 -1.03 -1.00 114.58 119.30 1ug6 h GLU 143 Ca 0.19 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1ug6 h GLU 143 Cb 0.26 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1ug6 h GLU 143 CO -0.01 0.87 0.11 -0.92 -1.00 0.00 0.00 179.01 178.07 1ug6 h TYR 144 N 0.96 0.28 -0.42 4.33 3.20 -0.76 -1.84 116.97 122.72 1ug6 h TYR 144 Ca 0.22 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.14 1ug6 h TYR 144 Cb 0.26 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.39 1ug6 h TYR 144 CO 0.02 0.26 0.13 0.00 -1.64 0.00 0.00 178.16 176.93 1ug6 h ALA 145 N 1.00 0.49 -0.41 1.82 0.00 -0.73 -1.43 119.26 120.00 1ug6 h ALA 145 Ca 0.07 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1ug6 h ALA 145 Cb 0.07 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1ug6 h ALA 145 CO -0.01 -0.26 0.12 1.49 0.00 0.00 0.00 179.25 180.58 1ug6 h GLU 146 N 0.29 0.26 -0.56 0.00 4.81 -1.04 -1.37 114.58 116.95 1ug6 h GLU 146 Ca 0.20 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1ug6 h GLU 146 Cb 0.20 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1ug6 h GLU 146 CO -0.22 0.17 0.35 0.00 -0.73 0.00 0.00 179.01 178.58 1ug6 h ALA 147 N 1.29 0.72 -0.43 2.92 0.00 -0.64 0.30 119.26 123.42 1ug6 h ALA 147 Ca 0.19 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1ug6 h ALA 147 Cb 0.21 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1ug6 h ALA 147 CO -0.22 0.18 0.05 0.28 0.00 0.00 0.00 179.25 179.54 1ug6 h VAL 148 N 0.76 1.25 -0.64 0.00 2.07 -1.01 -2.38 116.25 116.31 1ug6 h VAL 148 Ca 0.20 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 1ug6 h VAL 148 Cb -0.05 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1ug6 h VAL 148 CO -0.04 0.32 0.25 0.00 0.02 0.00 0.00 177.57 178.12 1ug6 h ALA 149 N 0.93 0.84 -0.47 1.67 0.00 -1.02 -0.12 119.26 121.08 1ug6 h ALA 149 Ca 0.13 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.94 1ug6 h ALA 149 Cb 0.41 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1ug6 h ALA 149 CO 0.01 0.46 0.32 0.00 0.00 0.00 0.00 179.25 180.05 1ug6 h ARG 150 N 0.91 0.29 0.12 0.00 3.08 -0.71 0.33 114.38 118.39 1ug6 h ARG 150 Ca 0.21 -0.02 -0.30 0.00 0.07 0.00 0.00 59.98 59.95 1ug6 h ARG 150 Cb 0.22 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1ug6 h ARG 150 CO -0.02 0.19 -1.48 0.00 -1.07 0.00 0.00 179.97 177.59 1ug6 h ALA 151 N 1.76 0.25 0.00 0.04 0.00 -0.90 -3.43 119.26 116.98 1ug6 h ALA 151 Ca 0.21 -1.08 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1ug6 h ALA 151 Cb 0.46 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1ug6 h ALA 151 CO -0.05 1.12 -0.36 1.28 0.00 0.00 0.00 179.25 181.24 1ug6 n LEU 152 N -3.46 0.00 0.14 0.00 4.77 -0.11 -4.74 117.00 113.61 1ug6 n LEU 152 Ca -0.15 -0.24 0.12 0.00 -0.03 0.00 0.00 56.01 55.71 1ug6 n LEU 152 Cb 1.04 0.00 0.52 0.00 -2.33 0.00 0.00 43.42 42.65 1ug6 n LEU 152 CO 0.51 0.00 0.86 0.00 -1.33 0.00 0.00 177.39 177.43 1ug6 n ALA 153 N -1.03 1.53 0.28 -1.18 0.00 0.07 -1.17 120.51 119.01 1ug6 n ALA 153 Ca 0.00 0.12 0.15 0.00 0.00 0.00 0.00 53.44 53.70 1ug6 n ALA 153 Cb 0.00 -1.38 0.80 0.00 0.00 0.00 0.00 19.45 18.87 1ug6 n ALA 153 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1ug6 h ASP 154 N 0.00 0.00 0.00 0.00 -0.00 -1.85 -3.34 116.42 111.23 1ug6 h ASP 154 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1ug6 h ASP 154 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.62 1ug6 h ASP 154 CO 0.00 0.08 -0.82 0.54 -0.00 0.00 0.00 179.24 179.04 1ug6 n ARG 155 N -3.51 2.15 -3.22 4.15 1.74 -0.68 -5.00 116.66 112.28 1ug6 n ARG 155 Ca -0.02 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.65 1ug6 n ARG 155 Cb 0.21 -0.91 -0.08 0.00 -1.02 0.00 0.00 32.46 30.67 1ug6 n ARG 155 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ug6 s VAL 156 N -1.73 5.00 0.16 1.55 1.01 -0.32 -4.82 120.40 121.25 1ug6 s VAL 156 Ca 0.00 0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.34 1ug6 s VAL 156 Cb 0.00 -3.99 -0.15 0.00 0.00 0.00 0.00 36.38 32.25 1ug6 s VAL 156 CO 0.00 -0.24 1.37 -0.65 0.00 0.00 0.00 175.10 175.58 1ug6 h PRO 157 N 8.48 0.24 -5.13 2.72 0.11 -1.86 -3.43 132.00 133.13 1ug6 h PRO 157 Ca -0.28 -0.26 -0.66 0.00 0.11 0.00 0.00 66.00 64.91 1ug6 h PRO 157 Cb 1.12 0.07 -0.30 0.00 0.11 0.00 0.00 31.00 32.00 1ug6 h PRO 157 CO 0.78 0.97 -0.79 -0.06 -0.21 0.00 0.00 178.00 178.70 1ug6 s PHE 158 N -3.25 2.83 -0.16 0.65 0.08 -1.25 -1.39 117.98 115.48 1ug6 s PHE 158 Ca -0.04 -1.10 0.01 0.00 0.12 0.00 0.00 56.93 55.93 1ug6 s PHE 158 Cb 0.10 -1.95 0.02 0.00 -0.57 0.00 0.00 43.02 40.62 1ug6 s PHE 158 CO 0.83 -0.53 -0.19 -0.06 -0.10 0.00 0.00 175.22 175.17 1ug6 s PHE 159 N 1.03 2.63 -0.17 0.36 0.08 -0.07 -1.30 117.98 120.54 1ug6 s PHE 159 Ca -0.01 -1.49 -0.07 0.00 0.12 0.00 0.00 56.93 55.48 1ug6 s PHE 159 Cb -0.15 -1.83 -0.04 0.00 -0.57 0.00 0.00 43.02 40.43 1ug6 s PHE 159 CO -0.03 -0.73 0.08 0.00 -0.10 0.00 0.00 175.22 174.44 1ug6 s ALA 160 N 1.20 3.50 0.01 5.36 0.00 0.40 -0.84 121.76 131.39 1ug6 s ALA 160 Ca 0.02 -0.73 -0.15 0.00 0.00 0.00 0.00 51.96 51.10 1ug6 s ALA 160 Cb -0.14 -1.93 -0.08 0.00 0.00 0.00 0.00 23.12 20.97 1ug6 s ALA 160 CO -0.10 0.26 0.93 1.79 0.00 0.00 0.00 175.76 178.65 1ug6 h THR 161 N 4.67 0.00 -3.92 0.00 1.35 -1.51 -0.14 112.91 113.36 1ug6 h THR 161 Ca -0.41 -0.17 -0.68 0.00 -0.55 0.00 0.00 66.41 64.60 1ug6 h THR 161 Cb 1.17 0.00 -0.21 0.00 -1.73 0.00 0.00 68.15 67.38 1ug6 h THR 161 CO 0.69 0.00 -0.79 -0.76 -0.25 0.00 0.00 175.52 174.41 1ug6 s LEU 162 N -7.13 2.70 -0.32 3.87 1.43 -1.26 -1.14 118.68 116.82 1ug6 s LEU 162 Ca -0.08 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 1ug6 s LEU 162 Cb 0.01 -1.57 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 1ug6 s LEU 162 CO 0.24 0.26 0.20 0.21 0.23 0.00 0.00 176.35 177.49 1ug6 s ASN 163 N -1.41 5.87 -1.00 2.29 2.47 -0.12 -1.43 114.94 121.61 1ug6 s ASN 163 Ca 0.15 -0.38 -0.12 0.00 0.42 0.00 0.00 52.86 52.93 1ug6 s ASN 163 Cb -0.11 -2.09 -0.01 0.00 -1.45 0.00 0.00 41.25 37.59 1ug6 s ASN 163 CO 0.05 -0.19 0.76 -0.62 -3.72 0.00 0.00 177.10 173.39 1ug6 n GLU 164 N 5.06 -1.41 0.30 0.43 1.02 0.44 -4.80 120.64 121.67 1ug6 n GLU 164 Ca -0.13 0.77 0.15 0.00 -0.02 0.00 0.00 57.16 57.93 1ug6 n GLU 164 Cb 0.50 -4.41 0.92 0.00 -0.02 0.00 0.00 31.44 28.42 1ug6 n GLU 164 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1ug6 h PRO 165 N -1.07 0.00 -0.75 3.49 0.13 -1.88 -1.02 132.00 130.90 1ug6 h PRO 165 Ca -0.52 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.66 1ug6 h PRO 165 Cb 1.29 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.36 1ug6 h PRO 165 CO 0.42 0.00 0.46 2.35 -0.23 0.00 0.00 178.00 181.01 1ug6 h TRP 166 N 0.00 0.86 0.06 1.56 7.01 -1.94 0.69 115.95 124.19 1ug6 h TRP 166 Ca -0.00 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.02 1ug6 h TRP 166 Cb 0.01 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 26.79 1ug6 h TRP 166 CO 0.00 0.46 -0.03 0.00 -2.79 0.00 0.00 178.44 176.08 1ug6 h SER 168 N -0.30 0.73 0.31 0.00 0.02 -1.26 -0.41 113.55 112.64 1ug6 h SER 168 Ca -0.01 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1ug6 h SER 168 Cb 0.27 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1ug6 h SER 168 CO 0.01 0.46 -0.15 0.00 -1.14 0.00 0.00 176.83 176.01 1ug6 h ALA 169 N 1.40 -0.49 0.18 3.77 0.00 -0.82 -3.12 119.26 120.18 1ug6 h ALA 169 Ca 0.36 -0.09 -0.33 0.00 0.00 0.00 0.00 54.91 54.85 1ug6 h ALA 169 Cb 0.22 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ug6 h ALA 169 CO -0.19 -0.45 -1.61 0.74 0.00 0.00 0.00 179.25 177.73 1ug6 h PHE 170 N -0.94 0.69 -0.09 0.00 0.04 -0.94 -1.16 116.94 114.54 1ug6 h PHE 170 Ca -0.04 -0.50 -0.18 0.00 2.80 0.00 0.00 57.97 60.04 1ug6 h PHE 170 Cb 0.32 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.44 1ug6 h PHE 170 CO 0.02 1.63 -0.72 -0.07 -0.60 0.00 0.00 178.31 178.56 1ug6 h LEU 171 N 0.00 0.51 -0.42 1.54 3.38 -1.21 0.07 115.31 119.18 1ug6 h LEU 171 Ca -0.32 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.22 1ug6 h LEU 171 Cb 2.02 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.60 1ug6 h LEU 171 CO 0.16 1.07 -0.48 1.23 0.09 0.00 0.00 178.44 180.51 1ug6 h GLY 172 N 1.23 0.00 0.00 0.83 0.00 -1.24 -1.59 103.07 102.30 1ug6 h GLY 172 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1ug6 h GLY 172 CO 0.13 0.00 -0.03 1.42 0.00 0.00 0.00 176.54 178.06 1ug6 n HIS 173 N -3.37 0.00 -0.04 5.60 8.25 -0.44 -1.61 115.22 123.62 1ug6 n HIS 173 Ca 0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 1ug6 n HIS 173 Cb 0.65 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.73 1ug6 n HIS 173 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 1ug6 n TRP 174 N -0.49 0.00 0.17 4.41 -0.00 -0.15 -0.47 117.44 120.91 1ug6 n TRP 174 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.61 1ug6 n TRP 174 Cb 0.00 -0.33 0.10 0.00 -0.00 0.00 0.00 31.31 31.07 1ug6 n TRP 174 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 177.69 179.48 1ug6 h THR 175 N -0.38 0.05 0.00 5.87 1.35 -1.27 -3.36 112.91 115.17 1ug6 h THR 175 Ca -0.20 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 1ug6 h THR 175 Cb 1.03 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 1ug6 h THR 175 CO -0.12 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 175.79 1ug6 n GLY 176 N 1.14 0.37 0.17 5.82 0.00 -0.77 -4.90 105.19 107.01 1ug6 n GLY 176 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.09 1ug6 n GLY 176 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ug6 h GLU 177 N 0.79 0.00 -6.22 1.61 5.08 -1.66 -3.41 114.58 110.78 1ug6 h GLU 177 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 1ug6 h GLU 177 Cb 0.30 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.44 1ug6 h GLU 177 CO 0.00 0.41 -0.67 -1.01 -1.00 0.00 0.00 179.01 176.74 1ug6 s HIS 178 N -3.22 2.61 0.44 4.33 3.76 -0.67 -4.65 115.29 117.89 1ug6 s HIS 178 Ca 0.03 -0.24 -0.26 0.00 -0.15 0.00 0.00 55.06 54.44 1ug6 s HIS 178 Cb 0.09 -1.16 -0.09 0.00 1.11 0.00 0.00 32.58 32.53 1ug6 s HIS 178 CO 0.71 0.63 1.38 0.00 -0.85 0.00 0.00 174.74 176.61 1ug6 n ALA 179 N -0.78 1.79 1.35 -1.40 0.00 -1.26 -0.45 120.51 119.76 1ug6 n ALA 179 Ca -0.06 0.26 0.07 0.00 0.00 0.00 0.00 53.44 53.70 1ug6 n ALA 179 Cb 0.59 -2.35 0.25 0.00 0.00 0.00 0.00 19.45 17.94 1ug6 n ALA 179 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ug6 n PRO 180 N -0.07 1.52 -0.61 0.00 -0.04 -1.21 -4.43 135.00 130.16 1ug6 n PRO 180 Ca 0.05 -0.80 0.00 0.00 -0.04 0.00 0.00 63.50 62.71 1ug6 n PRO 180 Cb 0.41 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 1ug6 n PRO 180 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ug6 n GLY 181 N 0.94 0.63 3.84 0.55 0.00 0.41 -4.96 105.19 106.60 1ug6 n GLY 181 Ca 0.11 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 1ug6 n GLY 181 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ug6 s LEU 182 N 0.00 3.34 -0.43 0.99 1.02 -0.63 -4.60 118.68 118.36 1ug6 s LEU 182 Ca 0.00 1.55 0.06 0.00 0.02 0.00 0.00 54.13 55.76 1ug6 s LEU 182 Cb 0.00 -4.49 0.21 0.00 0.02 0.00 0.00 46.19 41.93 1ug6 s LEU 182 CO 0.00 -0.97 0.46 0.54 0.02 0.00 0.00 176.35 176.40 1ug6 n ARG 183 N -2.45 0.68 -3.48 1.70 1.74 -1.07 -1.85 116.66 111.92 1ug6 n ARG 183 Ca 0.07 -3.37 -0.02 0.00 -0.77 0.00 0.00 57.85 53.76 1ug6 n ARG 183 Cb 0.54 -1.53 -0.05 0.00 -1.02 0.00 0.00 32.46 30.40 1ug6 n ARG 183 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1ug6 s ASN 184 N -0.79 -0.89 0.19 0.55 3.84 0.38 -4.92 114.94 113.30 1ug6 s ASN 184 Ca 0.34 1.13 -0.11 0.00 0.21 0.00 0.00 52.86 54.43 1ug6 s ASN 184 Cb 0.10 1.96 0.12 0.00 -0.55 0.00 0.00 41.25 42.88 1ug6 s ASN 184 CO -0.14 -0.24 1.81 0.25 -2.79 0.00 0.00 177.10 175.98 1ug6 h LEU 185 N 8.05 0.84 -0.58 3.21 5.85 -1.90 -1.21 115.31 129.57 1ug6 h LEU 185 Ca -0.19 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.46 1ug6 h LEU 185 Cb 1.12 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 1ug6 h LEU 185 CO 0.17 0.69 0.36 -0.08 -0.34 0.00 0.00 178.44 179.23 1ug6 h GLU 186 N 0.92 0.69 -0.74 1.25 4.81 -1.93 -0.07 114.58 119.51 1ug6 h GLU 186 Ca 0.24 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.47 1ug6 h GLU 186 Cb 0.03 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.20 1ug6 h GLU 186 CO -0.04 0.46 0.45 0.00 -0.73 0.00 0.00 179.01 179.15 1ug6 h ALA 187 N 1.25 0.99 -0.58 2.92 0.00 -1.76 -0.33 119.26 121.75 1ug6 h ALA 187 Ca 0.23 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1ug6 h ALA 187 Cb 0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1ug6 h ALA 187 CO -0.09 0.19 0.12 0.00 0.00 0.00 0.00 179.25 179.47 1ug6 h ALA 188 N 1.34 1.13 -0.10 0.00 0.00 -0.38 -0.13 119.26 121.13 1ug6 h ALA 188 Ca 0.31 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 1ug6 h ALA 188 Cb 0.10 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1ug6 h ALA 188 CO -0.15 0.58 -0.70 -0.07 0.00 0.00 0.00 179.25 178.91 1ug6 h LEU 189 N 0.86 0.51 -0.32 0.00 3.38 -0.49 0.51 115.31 119.77 1ug6 h LEU 189 Ca 0.18 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1ug6 h LEU 189 Cb 0.34 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1ug6 h LEU 189 CO 0.00 1.06 0.17 0.03 0.09 0.00 0.00 178.44 179.79 1ug6 h ARG 190 N 0.30 0.44 -0.42 1.13 3.08 -0.88 -1.98 114.38 116.06 1ug6 h ARG 190 Ca -0.03 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1ug6 h ARG 190 Cb 1.27 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 1ug6 h ARG 190 CO 0.12 0.39 0.27 0.00 -1.07 0.00 0.00 179.97 179.68 1ug6 h ALA 191 N 1.03 0.54 -0.47 0.04 0.00 -0.84 -0.69 119.26 118.86 1ug6 h ALA 191 Ca 0.11 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1ug6 h ALA 191 Cb 0.08 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1ug6 h ALA 191 CO -0.02 -0.00 0.16 0.00 0.00 0.00 0.00 179.25 179.40 1ug6 h ALA 192 N 1.14 0.57 -0.42 0.00 0.00 -0.79 0.92 119.26 120.68 1ug6 h ALA 192 Ca 0.15 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1ug6 h ALA 192 Cb -0.05 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1ug6 h ALA 192 CO -0.03 -0.23 0.00 1.25 0.00 0.00 0.00 179.25 180.24 1ug6 h HIS 193 N 0.33 0.80 0.00 0.00 6.17 -0.97 -2.09 115.15 119.40 1ug6 h HIS 193 Ca 0.23 -0.14 -0.03 0.00 0.71 0.00 0.00 60.37 61.13 1ug6 h HIS 193 Cb 0.24 -0.21 -0.00 0.00 2.52 0.00 0.00 27.41 29.95 1ug6 h HIS 193 CO -0.16 0.80 -0.16 0.45 0.71 0.00 0.00 177.93 179.57 1ug6 h HIS 194 N 0.57 0.00 0.20 5.26 3.86 -0.78 0.16 115.15 124.42 1ug6 h HIS 194 Ca 0.12 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1ug6 h HIS 194 Cb 0.48 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.95 1ug6 h HIS 194 CO 0.04 0.16 -0.10 -0.07 0.86 0.00 0.00 177.93 178.81 1ug6 h LEU 195 N 0.00 -0.25 -0.68 2.43 3.38 -0.74 0.91 115.31 120.36 1ug6 h LEU 195 Ca -0.00 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1ug6 h LEU 195 Cb 1.03 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 1ug6 h LEU 195 CO 0.02 -0.17 0.36 -0.07 0.09 0.00 0.00 178.44 178.67 1ug6 h LEU 196 N -0.28 0.86 -0.52 1.67 3.38 -1.03 -0.25 115.31 119.15 1ug6 h LEU 196 Ca -0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1ug6 h LEU 196 Cb 0.22 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1ug6 h LEU 196 CO 0.04 0.72 0.27 0.25 0.09 0.00 0.00 178.44 179.81 1ug6 h LEU 197 N 0.94 0.66 -0.55 1.67 5.85 -0.61 -0.76 115.31 122.51 1ug6 h LEU 197 Ca 0.24 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1ug6 h LEU 197 Cb 0.06 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1ug6 h LEU 197 CO -0.04 0.58 0.32 1.23 -0.34 0.00 0.00 178.44 180.19 1ug6 h GLY 198 N 0.69 0.78 0.23 3.75 0.00 -0.47 0.25 103.07 108.29 1ug6 h GLY 198 Ca 0.18 -0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.33 1ug6 h GLY 198 CO -0.03 0.19 -0.25 0.84 0.00 0.00 0.00 176.54 177.29 1ug6 h HIS 199 N 0.63 -0.68 -0.50 5.60 -0.00 -0.74 0.03 115.15 119.49 1ug6 h HIS 199 Ca 0.23 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.60 1ug6 h HIS 199 Cb 0.06 0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 27.77 1ug6 h HIS 199 CO -0.07 -0.33 0.18 0.78 -0.00 0.00 0.00 177.93 178.49 1ug6 h GLY 200 N -0.30 0.81 0.98 5.26 0.00 -0.45 -0.40 103.07 108.98 1ug6 h GLY 200 Ca 0.11 -0.46 0.01 0.00 0.00 0.00 0.00 47.33 46.99 1ug6 h GLY 200 CO -0.34 0.43 0.50 1.41 0.00 0.00 0.00 176.54 178.55 1ug6 h LEU 201 N 0.67 0.86 -1.12 3.11 3.38 -0.89 -2.83 115.31 118.49 1ug6 h LEU 201 Ca 0.16 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1ug6 h LEU 201 Cb 0.23 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1ug6 h LEU 201 CO -0.01 0.62 -0.29 0.00 0.09 0.00 0.00 178.44 178.84 1ug6 h ALA 202 N 1.29 1.27 -0.12 1.53 0.00 -0.35 -2.68 119.26 120.20 1ug6 h ALA 202 Ca 0.29 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1ug6 h ALA 202 Cb -0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1ug6 h ALA 202 CO -0.07 0.50 -0.12 0.28 0.00 0.00 0.00 179.25 179.83 1ug6 h VAL 203 N 0.22 0.66 -0.41 0.00 2.07 -0.82 0.21 116.25 118.17 1ug6 h VAL 203 Ca 0.03 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.42 1ug6 h VAL 203 Cb 0.64 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1ug6 h VAL 203 CO 0.05 0.00 -0.27 -0.08 0.02 0.00 0.00 177.57 177.29 1ug6 h GLU 204 N -0.15 0.88 -0.86 1.57 4.57 -1.59 -1.34 114.58 117.66 1ug6 h GLU 204 Ca 0.08 -0.39 -0.01 0.00 -1.18 0.00 0.00 59.36 57.86 1ug6 h GLU 204 Cb 0.27 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.80 1ug6 h GLU 204 CO -0.21 1.04 0.50 0.00 -1.18 0.00 0.00 179.01 179.16 1ug6 h ALA 205 N 0.94 1.09 -0.21 2.92 0.00 -1.10 -1.44 119.26 121.46 1ug6 h ALA 205 Ca 0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ug6 h ALA 205 Cb 0.83 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1ug6 h ALA 205 CO 0.07 0.57 -0.01 -0.07 0.00 0.00 0.00 179.25 179.82 1ug6 h LEU 206 N 1.18 0.37 -0.72 0.00 3.38 -0.39 -2.02 115.31 117.11 1ug6 h LEU 206 Ca 0.30 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1ug6 h LEU 206 Cb -0.02 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1ug6 h LEU 206 CO -0.05 0.59 0.36 0.03 0.09 0.00 0.00 178.44 179.46 1ug6 h ARG 207 N 0.13 1.04 0.00 1.13 3.08 -1.05 -1.00 114.38 117.70 1ug6 h ARG 207 Ca 0.06 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 1ug6 h ARG 207 Cb 0.41 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1ug6 h ARG 207 CO 0.01 0.80 -0.19 0.00 -1.07 0.00 0.00 179.97 179.53 1ug6 h ALA 208 N 1.18 1.28 -0.51 0.04 0.00 -1.16 -2.18 119.26 117.91 1ug6 h ALA 208 Ca 0.25 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ug6 h ALA 208 Cb 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ug6 h ALA 208 CO -0.03 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.46 1ug6 n ALA 209 N -2.32 2.51 -0.26 0.00 0.00 -0.77 -4.93 120.51 114.74 1ug6 n ALA 209 Ca -0.02 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.49 1ug6 n ALA 209 Cb 0.30 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1ug6 n ALA 209 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ug6 n GLY 210 N 1.24 0.87 3.68 0.00 0.00 -0.82 -4.28 105.19 105.88 1ug6 n GLY 210 Ca 0.17 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1ug6 n GLY 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug6 s ALA 211 N -2.00 3.59 0.06 4.61 0.00 -0.44 -4.76 121.76 122.83 1ug6 s ALA 211 Ca 0.00 0.85 -0.14 0.00 0.00 0.00 0.00 51.96 52.67 1ug6 s ALA 211 Cb 0.00 -3.62 -0.29 0.00 0.00 0.00 0.00 23.12 19.22 1ug6 s ALA 211 CO 0.00 -1.00 1.11 0.00 0.00 0.00 0.00 175.76 175.87 1ug6 h ARG 212 N 8.07 0.62 -4.22 0.00 3.08 -1.83 -3.41 114.38 116.69 1ug6 h ARG 212 Ca -0.37 -0.83 -0.53 0.00 0.07 0.00 0.00 59.98 58.32 1ug6 h ARG 212 Cb 1.17 0.27 -0.37 0.00 0.08 0.00 0.00 29.97 31.13 1ug6 h ARG 212 CO 0.92 1.38 -0.80 1.03 -1.07 0.00 0.00 179.97 181.42 1ug6 s ARG 213 N -2.99 1.51 -0.08 0.04 1.81 -0.48 -5.02 118.95 113.75 1ug6 s ARG 213 Ca -0.09 -0.25 0.05 0.00 -1.72 0.00 0.00 55.73 53.72 1ug6 s ARG 213 Cb 0.06 -1.58 -0.01 0.00 -0.45 0.00 0.00 34.95 32.97 1ug6 s ARG 213 CO 0.93 -0.27 -0.24 0.08 -0.68 0.00 0.00 175.30 175.13 1ug6 s VAL 214 N 1.70 2.10 0.00 3.52 1.01 -1.26 -0.90 120.40 126.58 1ug6 s VAL 214 Ca 0.05 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1ug6 s VAL 214 Cb -0.13 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.48 1ug6 s VAL 214 CO -0.08 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1ug6 n GLY 215 N 3.20 3.44 3.15 4.51 0.00 -0.02 -0.36 105.19 119.11 1ug6 n GLY 215 Ca -0.18 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 1ug6 n GLY 215 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ug6 s ILE 216 N -2.34 0.12 -0.21 -0.61 2.07 -1.24 -1.34 121.20 117.65 1ug6 s ILE 216 Ca 0.00 -0.96 -0.02 0.00 -1.41 0.00 0.00 60.65 58.26 1ug6 s ILE 216 Cb 0.00 -0.86 -0.00 0.00 0.13 0.00 0.00 42.46 41.73 1ug6 s ILE 216 CO 0.00 -0.53 -0.09 -0.69 -1.91 0.00 0.00 174.94 171.72 1ug6 s VAL 217 N -2.48 2.99 -0.04 4.00 1.01 -0.51 -0.69 120.40 124.69 1ug6 s VAL 217 Ca -0.06 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.35 1ug6 s VAL 217 Cb -0.02 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 1ug6 s VAL 217 CO -0.04 0.46 -0.20 -0.76 0.00 0.00 0.00 175.10 174.56 1ug6 s LEU 218 N 1.38 2.41 0.20 3.92 1.43 -0.15 -0.42 118.68 127.45 1ug6 s LEU 218 Ca 0.05 -0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 52.74 1ug6 s LEU 218 Cb -0.14 -1.45 -0.07 0.00 0.03 0.00 0.00 46.19 44.56 1ug6 s LEU 218 CO -0.06 0.33 0.49 0.54 0.23 0.00 0.00 176.35 177.88 1ug6 s ASN 219 N -0.67 6.58 0.01 2.29 4.22 -1.26 -1.00 114.94 125.10 1ug6 s ASN 219 Ca 0.11 0.80 0.03 0.00 -2.14 0.00 0.00 52.86 51.67 1ug6 s ASN 219 Cb -0.10 -2.18 -0.01 0.00 1.28 0.00 0.00 41.25 40.24 1ug6 s ASN 219 CO -0.00 -0.02 -0.11 -0.36 -2.04 0.00 0.00 177.10 174.57 1ug6 s PHE 220 N -1.75 0.95 -0.47 1.54 0.08 -0.57 -4.81 117.98 112.94 1ug6 s PHE 220 Ca 0.45 -0.24 0.03 0.00 0.12 0.00 0.00 56.93 57.28 1ug6 s PHE 220 Cb -0.12 -0.59 0.14 0.00 -0.57 0.00 0.00 43.02 41.89 1ug6 s PHE 220 CO 0.22 -0.01 0.28 0.00 -0.10 0.00 0.00 175.22 175.62 1ug6 s ALA 221 N -0.49 2.24 0.24 5.36 0.00 -1.26 -4.53 121.76 123.33 1ug6 s ALA 221 Ca 0.02 -2.72 -0.31 0.00 0.00 0.00 0.00 51.96 48.95 1ug6 s ALA 221 Cb -0.05 -1.88 -0.14 0.00 0.00 0.00 0.00 23.12 21.05 1ug6 s ALA 221 CO 0.00 -2.06 1.29 -2.30 0.00 0.00 0.00 175.76 172.70 1ug6 n PRO 222 N 3.26 1.77 -4.10 0.00 -0.02 -1.26 -4.33 135.00 130.31 1ug6 n PRO 222 Ca 0.13 0.63 -0.36 0.00 -2.02 0.00 0.00 63.50 61.88 1ug6 n PRO 222 Cb 0.36 -2.21 -0.08 0.00 -0.02 0.00 0.00 33.50 31.55 1ug6 n PRO 222 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ug6 s ALA 223 N -0.33 3.53 0.07 3.55 0.00 -1.26 -0.91 121.76 126.40 1ug6 s ALA 223 Ca 0.67 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.90 1ug6 s ALA 223 Cb -0.69 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.63 1ug6 s ALA 223 CO 0.53 0.49 -0.05 0.71 0.00 0.00 0.00 175.76 177.44 1ug6 s TYR 224 N -0.61 0.68 0.00 0.00 2.02 -0.31 -4.97 117.35 114.15 1ug6 s TYR 224 Ca 0.11 -0.85 0.00 0.00 -0.37 0.00 0.00 57.07 55.96 1ug6 s TYR 224 Cb -0.12 -0.43 0.00 0.00 -0.40 0.00 0.00 41.96 41.02 1ug6 s TYR 224 CO 0.02 -0.21 0.00 0.41 -1.57 0.00 0.00 175.55 174.20 1ug6 n GLY 225 N 0.43 1.43 0.21 0.71 0.00 -1.26 -1.29 105.19 105.41 1ug6 n GLY 225 Ca -0.16 -1.11 -0.09 0.00 0.00 0.00 0.00 46.02 44.66 1ug6 n GLY 225 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ug6 h GLU 226 N 0.00 0.53 -4.78 1.61 5.08 -2.02 -3.44 114.58 111.56 1ug6 h GLU 226 Ca 0.00 -0.35 -0.67 0.00 -1.00 0.00 0.00 59.36 57.34 1ug6 h GLU 226 Cb 0.00 0.05 -0.18 0.00 0.50 0.00 0.00 28.75 29.11 1ug6 h GLU 226 CO 0.00 0.96 -0.44 0.34 -1.00 0.00 0.00 179.01 178.87 1ug6 s ASP 227 N -6.93 6.08 0.33 1.42 2.15 -1.26 -4.98 116.67 113.48 1ug6 s ASP 227 Ca -0.07 -0.35 0.04 0.00 0.43 0.00 0.00 52.55 52.61 1ug6 s ASP 227 Cb 0.11 -2.15 0.67 0.00 -0.30 0.00 0.00 42.92 41.25 1ug6 s ASP 227 CO 0.84 -0.24 1.89 -0.65 -0.17 0.00 0.00 175.17 176.83 1ug6 h PRO 228 N 8.47 0.84 -0.25 4.34 0.11 -2.00 -1.53 132.00 141.99 1ug6 h PRO 228 Ca -0.31 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.71 1ug6 h PRO 228 Cb 1.16 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1ug6 h PRO 228 CO 0.64 0.56 0.01 1.49 -0.21 0.00 0.00 178.00 180.49 1ug6 h GLU 229 N 0.86 0.43 -0.53 1.05 4.81 -1.99 -0.58 114.58 118.64 1ug6 h GLU 229 Ca 0.42 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.49 1ug6 h GLU 229 Cb 0.45 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1ug6 h GLU 229 CO -0.18 0.59 0.22 0.00 -0.73 0.00 0.00 179.01 178.91 1ug6 h ALA 230 N 0.82 0.68 -0.85 2.92 0.00 -1.82 -0.94 119.26 120.07 1ug6 h ALA 230 Ca 0.07 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1ug6 h ALA 230 Cb 0.39 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1ug6 h ALA 230 CO 0.01 0.28 0.54 0.28 0.00 0.00 0.00 179.25 180.37 1ug6 h VAL 231 N 0.71 1.11 -0.37 0.00 2.07 -1.16 -1.62 116.25 117.00 1ug6 h VAL 231 Ca 0.18 -0.36 -0.14 0.00 0.82 0.00 0.00 66.70 67.20 1ug6 h VAL 231 Cb 0.18 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 1ug6 h VAL 231 CO -0.02 0.19 -0.33 -0.78 0.02 0.00 0.00 177.57 176.65 1ug6 h ASP 232 N 1.04 0.86 -0.18 0.57 3.58 -0.62 0.52 116.42 122.19 1ug6 h ASP 232 Ca 0.35 -0.36 0.03 0.00 0.42 0.00 0.00 57.03 57.46 1ug6 h ASP 232 Cb 0.04 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.83 1ug6 h ASP 232 CO -0.13 1.11 0.01 0.58 -2.88 0.00 0.00 179.24 177.93 1ug6 h VAL 233 N 0.69 0.89 -0.89 2.25 2.07 -0.88 -0.00 116.25 120.37 1ug6 h VAL 233 Ca 0.07 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1ug6 h VAL 233 Cb 0.88 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1ug6 h VAL 233 CO 0.08 0.01 0.50 0.00 0.02 0.00 0.00 177.57 178.18 1ug6 h ALA 234 N 1.15 1.14 -0.64 1.67 0.00 -1.04 -1.31 119.26 120.22 1ug6 h ALA 234 Ca 0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1ug6 h ALA 234 Cb 0.09 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1ug6 h ALA 234 CO -0.13 0.64 0.23 0.22 0.00 0.00 0.00 179.25 180.21 1ug6 h ASP 235 N 1.24 0.90 -0.63 0.00 1.82 -0.47 0.07 116.42 119.35 1ug6 h ASP 235 Ca 0.32 -0.19 -0.08 0.00 -0.39 0.00 0.00 57.03 56.69 1ug6 h ASP 235 Cb 0.01 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 39.76 1ug6 h ASP 235 CO -0.05 0.85 0.10 0.03 -1.61 0.00 0.00 179.24 178.56 1ug6 h ARG 236 N 0.91 1.07 0.09 0.28 3.08 -0.60 0.19 114.38 119.40 1ug6 h ARG 236 Ca 0.21 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1ug6 h ARG 236 Cb 0.25 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1ug6 h ARG 236 CO -0.01 0.98 -0.05 -0.92 -1.07 0.00 0.00 179.97 178.90 1ug6 h TYR 237 N 1.00 -0.12 0.14 3.04 3.20 -0.99 -1.44 116.97 121.80 1ug6 h TYR 237 Ca 0.20 -0.00 -0.23 0.00 3.14 0.00 0.00 58.73 61.84 1ug6 h TYR 237 Cb 0.43 0.04 0.03 0.00 1.54 0.00 0.00 36.73 38.77 1ug6 h TYR 237 CO 0.03 0.31 -0.98 0.45 -1.64 0.00 0.00 178.16 176.33 1ug6 h HIS 238 N -0.59 0.72 0.00 -3.82 3.86 -1.02 -3.39 115.15 110.92 1ug6 h HIS 238 Ca -0.01 -0.49 -0.17 0.00 -1.16 0.00 0.00 60.37 58.53 1ug6 h HIS 238 Cb 0.48 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.88 1ug6 h HIS 238 CO 0.07 1.36 -1.64 0.09 0.86 0.00 0.00 177.93 178.67 1ug6 n ASN 239 N -4.01 3.01 0.03 2.45 3.02 -0.04 -4.64 115.26 115.09 1ug6 n ASN 239 Ca -0.14 -0.05 0.11 0.00 -0.03 0.00 0.00 54.58 54.47 1ug6 n ASN 239 Cb 0.88 -0.19 0.04 0.00 -0.61 0.00 0.00 39.78 39.91 1ug6 n ASN 239 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ug6 n ARG 240 N -2.86 0.30 -0.25 3.52 1.74 -0.64 -4.06 116.66 114.40 1ug6 n ARG 240 Ca -0.20 0.01 -0.01 0.00 -0.77 0.00 0.00 57.85 56.88 1ug6 n ARG 240 Cb 0.71 -1.61 0.11 0.00 -1.02 0.00 0.00 32.46 30.65 1ug6 n ARG 240 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1ug6 h PHE 241 N 0.00 0.76 0.00 -1.55 3.57 -1.45 -1.24 116.94 117.03 1ug6 h PHE 241 Ca 0.00 0.03 -0.36 0.00 3.53 0.00 0.00 57.97 61.16 1ug6 h PHE 241 Cb 0.74 -0.24 -0.07 0.00 2.79 0.00 0.00 35.95 39.18 1ug6 h PHE 241 CO 0.00 0.36 -2.31 1.19 -2.23 0.00 0.00 178.31 175.32 1ug6 n PHE 242 N -4.75 0.14 -0.09 0.41 3.72 -1.26 -4.44 117.46 111.18 1ug6 n PHE 242 Ca 0.10 0.05 -0.12 0.00 -0.05 0.00 0.00 57.45 57.43 1ug6 n PHE 242 Cb 0.19 -1.02 -0.04 0.00 -0.94 0.00 0.00 39.48 37.66 1ug6 n PHE 242 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1ug6 h LEU 243 N 0.00 0.53 -0.50 4.37 5.85 -1.67 -2.96 115.31 120.93 1ug6 h LEU 243 Ca -0.52 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 57.83 1ug6 h LEU 243 Cb 2.18 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 43.04 1ug6 h LEU 243 CO 0.02 0.77 0.32 0.44 -0.34 0.00 0.00 178.44 179.65 1ug6 h ASP 244 N 0.27 0.59 -0.73 1.25 5.19 -1.47 -1.15 116.42 120.37 1ug6 h ASP 244 Ca 0.07 -0.04 0.04 0.00 -0.62 0.00 0.00 57.03 56.48 1ug6 h ASP 244 Cb 0.55 -0.15 -0.05 0.00 0.18 0.00 0.00 39.33 39.86 1ug6 h ASP 244 CO 0.03 0.45 0.45 -0.65 -3.12 0.00 0.00 179.24 176.40 1ug6 h PRO 245 N 0.67 0.85 0.00 3.56 0.11 -1.47 -0.45 132.00 135.28 1ug6 h PRO 245 Ca 0.18 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.20 1ug6 h PRO 245 Cb -0.04 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 30.87 1ug6 h PRO 245 CO -0.04 0.56 -0.20 0.82 -0.21 0.00 0.00 178.00 178.94 1ug6 h ILE 246 N 0.88 1.11 -0.02 4.15 1.08 -1.25 -1.85 117.51 121.60 1ug6 h ILE 246 Ca 0.30 -0.69 0.00 0.00 -0.39 0.00 0.00 64.86 64.08 1ug6 h ILE 246 Cb 0.04 1.38 0.00 0.00 -3.07 0.00 0.00 36.82 35.17 1ug6 h ILE 246 CO -0.12 0.19 0.00 0.18 -0.69 0.00 0.00 178.15 177.71 1ug6 n LEU 247 N -4.25 0.69 0.00 1.44 4.77 -0.48 -4.48 117.00 114.68 1ug6 n LEU 247 Ca -0.02 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1ug6 n LEU 247 Cb 0.26 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1ug6 n LEU 247 CO 0.36 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1ug6 n GLY 248 N 1.05 0.40 0.98 -0.72 0.00 -0.69 -4.94 105.19 101.26 1ug6 n GLY 248 Ca 0.20 -1.05 0.09 0.00 0.00 0.00 0.00 46.02 45.26 1ug6 n GLY 248 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ug6 n LYS 249 N -2.74 2.61 -0.78 1.61 5.02 -0.24 -5.02 118.16 118.63 1ug6 n LYS 249 Ca 0.00 -2.27 0.11 0.00 -2.02 0.00 0.00 58.31 54.13 1ug6 n LYS 249 Cb 0.06 -1.42 -0.03 0.00 -0.02 0.00 0.00 35.03 33.62 1ug6 n LYS 249 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ug6 n GLY 250 N 1.11 -1.66 3.76 0.72 0.00 -1.24 -4.76 105.19 103.12 1ug6 n GLY 250 Ca 0.17 -1.33 -0.38 0.00 0.00 0.00 0.00 46.02 44.48 1ug6 n GLY 250 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ug6 s TYR 251 N -1.73 2.47 0.88 1.61 2.02 -1.26 -2.27 117.35 119.07 1ug6 s TYR 251 Ca 0.00 1.39 -0.11 0.00 -0.37 0.00 0.00 57.07 57.98 1ug6 s TYR 251 Cb 0.00 -3.73 0.12 0.00 -0.40 0.00 0.00 41.96 37.95 1ug6 s TYR 251 CO 0.00 -2.58 1.10 -1.25 -1.57 0.00 0.00 175.55 171.24 1ug6 s PRO 252 N -2.73 1.34 0.10 -1.71 0.04 -1.26 -4.91 135.00 125.88 1ug6 s PRO 252 Ca 0.67 1.07 -0.35 0.00 0.04 0.00 0.00 61.00 62.43 1ug6 s PRO 252 Cb -0.39 -1.80 -0.18 0.00 0.04 0.00 0.00 34.50 32.18 1ug6 s PRO 252 CO 0.47 -2.25 1.03 -1.91 0.04 0.00 0.00 177.00 174.38 1ug6 n GLU 253 N -3.92 0.52 -1.73 4.56 2.13 -1.26 -4.77 120.64 116.17 1ug6 n GLU 253 Ca 0.08 0.19 -0.42 0.00 0.66 0.00 0.00 57.16 57.66 1ug6 n GLU 253 Cb 0.54 -1.61 -0.02 0.00 0.27 0.00 0.00 31.44 30.62 1ug6 n GLU 253 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1ug6 n SER 254 N 1.88 3.52 -0.03 4.31 2.88 -1.26 -4.86 113.62 120.05 1ug6 n SER 254 Ca 0.18 1.15 0.15 0.00 -1.33 0.00 0.00 58.87 59.02 1ug6 n SER 254 Cb 0.18 -1.55 0.79 0.00 -0.75 0.00 0.00 64.21 62.88 1ug6 n SER 254 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ug6 n PRO 255 N 1.94 0.69 -4.04 -1.46 -0.04 -1.26 -4.89 135.00 125.93 1ug6 n PRO 255 Ca 0.09 -0.07 -0.33 0.00 -0.04 0.00 0.00 63.50 63.15 1ug6 n PRO 255 Cb 0.35 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.25 1ug6 n PRO 255 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1ug6 s PHE 256 N -2.36 3.34 -0.06 0.54 0.08 -1.26 -4.32 117.98 113.94 1ug6 s PHE 256 Ca 0.35 0.22 -0.30 0.00 0.12 0.00 0.00 56.93 57.32 1ug6 s PHE 256 Cb 0.21 -1.74 -0.03 0.00 -0.57 0.00 0.00 43.02 40.89 1ug6 s PHE 256 CO 0.43 0.57 1.14 1.03 -0.10 0.00 0.00 175.22 178.29 1ug6 s ARG 257 N -1.92 4.38 -1.18 0.44 0.52 0.31 -4.19 118.95 117.32 1ug6 s ARG 257 Ca 0.25 1.60 -0.11 0.00 -0.52 0.00 0.00 55.73 56.95 1ug6 s ARG 257 Cb -0.12 -3.54 -0.02 0.00 0.52 0.00 0.00 34.95 31.79 1ug6 s ARG 257 CO 0.17 -0.39 0.78 -3.47 0.02 0.00 0.00 175.30 172.40 1ug6 n ASP 258 N 5.06 -4.15 -4.75 0.23 2.03 -1.26 -4.89 116.55 108.81 1ug6 n ASP 258 Ca 0.10 -0.89 -0.35 0.00 0.52 0.00 0.00 54.79 54.18 1ug6 n ASP 258 Cb 0.47 -3.97 0.05 0.00 -0.72 0.00 0.00 41.12 36.95 1ug6 n ASP 258 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1ug6 s PRO 259 N -5.66 2.71 0.94 -0.67 0.04 -1.26 -5.02 135.00 126.09 1ug6 s PRO 259 Ca 0.31 1.66 -0.13 0.00 0.04 0.00 0.00 61.00 62.88 1ug6 s PRO 259 Cb -0.09 -1.91 0.16 0.00 0.04 0.00 0.00 34.50 32.70 1ug6 s PRO 259 CO 0.82 -1.37 1.15 -1.25 0.04 0.00 0.00 177.00 176.39 1ug6 s PRO 260 N -3.71 0.86 0.44 0.56 0.04 -1.26 -5.00 135.00 126.93 1ug6 s PRO 260 Ca 0.73 0.21 -0.25 0.00 0.04 0.00 0.00 61.00 61.74 1ug6 s PRO 260 Cb -0.26 -1.81 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 1ug6 s PRO 260 CO 0.38 -2.37 1.31 -2.14 0.04 0.00 0.00 177.00 174.22 1ug6 s PRO 261 N -5.32 3.78 -0.09 0.56 0.02 -1.26 -5.00 135.00 127.69 1ug6 s PRO 261 Ca 0.65 2.15 0.03 0.00 0.02 0.00 0.00 61.00 63.86 1ug6 s PRO 261 Cb -0.14 -2.62 -0.01 0.00 0.02 0.00 0.00 34.50 31.75 1ug6 s PRO 261 CO 0.54 -0.65 -0.20 0.08 -0.33 0.00 0.00 177.00 176.44 1ug6 s VAL 262 N -1.30 2.47 -1.45 3.83 1.01 -1.26 -4.78 120.40 118.92 1ug6 s VAL 262 Ca 0.60 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 1ug6 s VAL 262 Cb -0.38 -1.97 0.01 0.00 0.00 0.00 0.00 36.38 34.05 1ug6 s VAL 262 CO 0.48 0.56 2.69 -0.81 0.00 0.00 0.00 175.10 178.01 1ug6 n PRO 263 N 3.22 4.12 -2.83 2.72 -0.04 -1.26 -4.91 135.00 136.02 1ug6 n PRO 263 Ca -0.18 -2.80 -0.42 0.00 -0.04 0.00 0.00 63.50 60.05 1ug6 n PRO 263 Cb 0.53 -2.70 -0.04 0.00 -0.04 0.00 0.00 33.50 31.25 1ug6 n PRO 263 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1ug6 s ILE 264 N 0.49 4.79 0.33 0.52 1.01 -1.26 -5.02 121.20 122.06 1ug6 s ILE 264 Ca 0.62 1.69 0.07 0.00 0.00 0.00 0.00 60.65 63.03 1ug6 s ILE 264 Cb 0.19 -4.17 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 1ug6 s ILE 264 CO -0.08 -0.11 0.42 -0.76 0.00 0.00 0.00 174.94 174.42 1ug6 s LEU 265 N 2.94 3.90 0.12 2.97 1.43 -1.26 -5.04 118.68 123.75 1ug6 s LEU 265 Ca 0.37 -0.25 -0.35 0.00 -1.03 0.00 0.00 54.13 52.87 1ug6 s LEU 265 Cb -0.15 -2.63 -0.16 0.00 0.03 0.00 0.00 46.19 43.28 1ug6 s LEU 265 CO 0.07 -0.40 1.30 -0.24 0.23 0.00 0.00 176.35 177.32 1ug6 n SER 266 N -1.56 1.66 0.00 2.29 2.88 -1.26 -1.70 113.62 115.93 1ug6 n SER 266 Ca -0.01 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 1ug6 n SER 266 Cb 0.58 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.83 1ug6 n SER 266 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ug6 n ARG 267 N 2.34 0.00 -0.21 -1.46 1.74 -1.26 -4.88 116.66 112.93 1ug6 n ARG 267 Ca 0.17 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.21 1ug6 n ARG 267 Cb 0.21 -3.28 0.06 0.00 -1.02 0.00 0.00 32.46 28.43 1ug6 n ARG 267 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1ug6 h ASP 268 N 0.00 0.60 0.37 0.55 3.32 -1.73 -2.55 116.42 116.98 1ug6 h ASP 268 Ca 0.00 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 1ug6 h ASP 268 Cb 0.00 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1ug6 h ASP 268 CO 0.00 0.41 -0.32 -0.07 -1.72 0.00 0.00 179.24 177.55 1ug6 h LEU 269 N 0.72 0.00 -0.62 1.55 3.38 -1.90 -1.12 115.31 117.33 1ug6 h LEU 269 Ca 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1ug6 h LEU 269 Cb 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1ug6 h LEU 269 CO -0.11 0.32 0.34 -0.08 0.09 0.00 0.00 178.44 179.00 1ug6 h GLU 270 N 0.00 0.86 -0.32 1.13 4.81 -1.86 -1.64 114.58 117.56 1ug6 h GLU 270 Ca -0.00 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1ug6 h GLU 270 Cb 0.59 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1ug6 h GLU 270 CO 0.04 0.65 0.16 -0.07 -0.73 0.00 0.00 179.01 179.07 1ug6 h LEU 271 N 0.84 0.42 -1.55 1.64 3.38 -1.06 -2.93 115.31 116.05 1ug6 h LEU 271 Ca 0.22 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1ug6 h LEU 271 Cb 0.04 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1ug6 h LEU 271 CO -0.04 0.41 0.32 0.58 0.09 0.00 0.00 178.44 179.81 1ug6 h VAL 272 N 0.39 1.10 -0.36 1.22 2.07 -0.95 -2.50 116.25 117.22 1ug6 h VAL 272 Ca 0.11 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1ug6 h VAL 272 Cb 0.10 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1ug6 h VAL 272 CO -0.02 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.69 1ug6 n ALA 273 N -2.47 2.95 -1.72 1.67 0.00 -0.64 -4.45 120.51 115.85 1ug6 n ALA 273 Ca 0.05 -0.94 -0.43 0.00 0.00 0.00 0.00 53.44 52.12 1ug6 n ALA 273 Cb 0.08 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 1ug6 n ALA 273 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ug6 n ARG 274 N 0.49 2.39 -1.90 0.00 1.74 -0.94 -4.75 116.66 113.68 1ug6 n ARG 274 Ca 0.15 0.85 -0.39 0.00 -0.77 0.00 0.00 57.85 57.68 1ug6 n ARG 274 Cb 0.61 -2.55 0.01 0.00 -1.02 0.00 0.00 32.46 29.52 1ug6 n ARG 274 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1ug6 s PRO 275 N -0.88 3.71 0.37 5.56 0.02 -1.26 -5.01 135.00 137.51 1ug6 s PRO 275 Ca 0.63 2.28 0.08 0.00 0.02 0.00 0.00 61.00 64.00 1ug6 s PRO 275 Cb -0.56 -2.63 -0.04 0.00 0.02 0.00 0.00 34.50 31.30 1ug6 s PRO 275 CO 0.53 -0.75 0.21 -0.51 -0.33 0.00 0.00 177.00 176.15 1ug6 s LEU 276 N -2.74 3.28 0.09 -5.54 1.43 -1.26 -5.03 118.68 108.91 1ug6 s LEU 276 Ca 0.61 -0.81 0.22 0.00 -1.03 0.00 0.00 54.13 53.12 1ug6 s LEU 276 Cb -0.41 -1.77 -0.14 0.00 0.03 0.00 0.00 46.19 43.90 1ug6 s LEU 276 CO 0.52 -0.43 0.80 0.47 0.23 0.00 0.00 176.35 177.94 1ug6 n ASP 277 N -1.27 0.46 -3.46 2.29 8.00 0.51 -4.92 116.55 118.17 1ug6 n ASP 277 Ca -0.01 0.12 -0.11 0.00 0.71 0.00 0.00 54.79 55.50 1ug6 n ASP 277 Cb 0.62 1.15 -0.02 0.00 -0.02 0.00 0.00 41.12 42.85 1ug6 n ASP 277 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1ug6 s PHE 278 N -3.41 -0.48 -0.13 1.24 -0.12 -1.23 -4.06 117.98 109.79 1ug6 s PHE 278 Ca -0.03 0.34 0.02 0.00 -0.05 0.00 0.00 56.93 57.21 1ug6 s PHE 278 Cb 0.12 0.54 0.00 0.00 -0.63 0.00 0.00 43.02 43.06 1ug6 s PHE 278 CO 0.84 -0.72 -0.21 -1.17 -0.05 0.00 0.00 175.22 173.91 1ug6 s LEU 279 N -2.54 2.21 -0.03 -1.99 2.96 -0.49 -3.70 118.68 115.10 1ug6 s LEU 279 Ca 0.02 -0.55 -0.24 0.00 -0.22 0.00 0.00 54.13 53.14 1ug6 s LEU 279 Cb -0.01 -1.47 -0.04 0.00 0.50 0.00 0.00 46.19 45.17 1ug6 s LEU 279 CO -0.10 0.11 0.71 -0.83 -1.32 0.00 0.00 176.35 174.91 1ug6 s GLY 280 N 0.67 2.67 -0.23 7.98 0.00 0.14 -1.74 107.32 116.81 1ug6 s GLY 280 Ca -0.10 0.17 -0.03 0.00 0.00 0.00 0.00 44.72 44.76 1ug6 s GLY 280 CO 0.02 1.11 -0.06 0.14 0.00 0.00 0.00 173.10 174.31 1ug6 s VAL 281 N 0.44 3.11 -0.17 1.40 1.01 0.47 -0.97 120.40 125.69 1ug6 s VAL 281 Ca 0.37 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 1ug6 s VAL 281 Cb -0.19 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 1ug6 s VAL 281 CO 0.19 0.36 -0.02 0.20 0.00 0.00 0.00 175.10 175.84 1ug6 s ASN 282 N 1.42 4.78 -0.06 3.32 -0.87 -0.17 -1.05 114.94 122.30 1ug6 s ASN 282 Ca 0.04 -0.17 -0.04 0.00 -1.57 0.00 0.00 52.86 51.13 1ug6 s ASN 282 Cb -0.15 -1.80 0.03 0.00 -0.02 0.00 0.00 41.25 39.32 1ug6 s ASN 282 CO -0.05 0.12 0.15 -0.47 -2.57 0.00 0.00 177.10 174.29 1ug6 s TYR 283 N 0.64 -0.17 0.00 2.20 5.04 -0.81 -1.52 117.35 122.72 1ug6 s TYR 283 Ca -0.02 0.47 0.00 0.00 -2.44 0.00 0.00 57.07 55.08 1ug6 s TYR 283 Cb -0.14 -0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.13 1ug6 s TYR 283 CO 0.02 -0.14 0.00 0.66 -1.34 0.00 0.00 175.55 174.75 1ug6 n TYR 284 N 3.84 0.00 -3.52 4.97 4.01 -1.26 -4.29 117.16 120.91 1ug6 n TYR 284 Ca -0.22 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.41 1ug6 n TYR 284 Cb 0.54 0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.54 1ug6 n TYR 284 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ug6 s ALA 285 N -1.83 -1.82 0.84 -0.72 0.00 -1.26 -4.73 121.76 112.24 1ug6 s ALA 285 Ca 0.00 1.20 -0.12 0.00 0.00 0.00 0.00 51.96 53.04 1ug6 s ALA 285 Cb 0.00 0.02 0.12 0.00 0.00 0.00 0.00 23.12 23.27 1ug6 s ALA 285 CO 0.00 -0.51 1.19 -1.25 0.00 0.00 0.00 175.76 175.19 1ug6 s PRO 286 N -2.16 1.51 -0.01 0.00 0.04 -1.26 -4.36 135.00 128.75 1ug6 s PRO 286 Ca -0.01 -0.22 0.07 0.00 0.04 0.00 0.00 61.00 60.88 1ug6 s PRO 286 Cb -0.01 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 1ug6 s PRO 286 CO -0.02 -1.82 -0.21 0.14 0.04 0.00 0.00 177.00 175.12 1ug6 s VAL 287 N -3.61 2.47 -0.14 -0.36 -7.23 -0.09 -4.77 120.40 106.68 1ug6 s VAL 287 Ca 0.66 -1.05 0.00 0.00 -1.81 0.00 0.00 61.98 59.78 1ug6 s VAL 287 Cb -0.08 -1.94 -0.01 0.00 0.56 0.00 0.00 36.38 34.91 1ug6 s VAL 287 CO 0.49 0.51 -0.15 -0.13 -0.31 0.00 0.00 175.10 175.51 1ug6 s ARG 288 N -0.87 3.27 0.10 4.82 0.52 -1.26 -1.17 118.95 124.36 1ug6 s ARG 288 Ca 0.11 -0.74 0.04 0.00 -0.52 0.00 0.00 55.73 54.63 1ug6 s ARG 288 Cb -0.10 -2.59 -0.03 0.00 0.52 0.00 0.00 34.95 32.74 1ug6 s ARG 288 CO 0.01 0.12 -0.11 0.14 0.02 0.00 0.00 175.30 175.48 1ug6 s VAL 289 N 0.57 0.97 0.25 3.52 -7.23 -0.41 -0.63 120.40 117.43 1ug6 s VAL 289 Ca -0.09 -1.60 0.07 0.00 -1.81 0.00 0.00 61.98 58.55 1ug6 s VAL 289 Cb -0.16 -1.32 -0.05 0.00 0.56 0.00 0.00 36.38 35.40 1ug6 s VAL 289 CO 0.04 -0.51 -0.10 0.00 -0.31 0.00 0.00 175.10 174.21 1ug6 s ALA 290 N -2.29 2.21 0.48 1.32 0.00 0.02 -4.28 121.76 119.23 1ug6 s ALA 290 Ca 0.05 -1.80 -0.24 0.00 0.00 0.00 0.00 51.96 49.97 1ug6 s ALA 290 Cb -0.04 0.06 -0.08 0.00 0.00 0.00 0.00 23.12 23.07 1ug6 s ALA 290 CO 0.00 -0.00 1.30 -2.30 0.00 0.00 0.00 175.76 174.76 1ug6 n PRO 291 N -0.50 1.83 -4.18 0.00 -0.02 -1.26 -0.46 135.00 130.41 1ug6 n PRO 291 Ca -0.06 0.66 -0.13 0.00 -2.02 0.00 0.00 63.50 61.95 1ug6 n PRO 291 Cb 0.62 -2.47 -0.09 0.00 -0.02 0.00 0.00 33.50 31.54 1ug6 n PRO 291 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1ug6 s GLY 292 N -0.70 1.45 0.00 -1.23 0.00 -0.43 -4.23 107.32 102.18 1ug6 s GLY 292 Ca 0.66 -1.64 0.21 0.00 0.00 0.00 0.00 44.72 43.94 1ug6 s GLY 292 CO 0.54 -1.30 1.07 -1.30 0.00 0.00 0.00 173.10 172.11 1ug6 n THR 293 N -0.34 0.00 -1.46 0.90 -2.24 -1.26 -4.18 114.28 105.69 1ug6 n THR 293 Ca 0.02 -0.36 -0.30 0.00 -2.27 0.00 0.00 64.05 61.14 1ug6 n THR 293 Cb 0.65 1.31 0.20 0.00 -2.10 0.00 0.00 70.33 70.39 1ug6 n THR 293 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ug6 s GLY 294 N -2.11 1.65 0.29 3.38 0.00 -1.26 -4.89 107.32 104.38 1ug6 s GLY 294 Ca 0.20 -0.93 0.04 0.00 0.00 0.00 0.00 44.72 44.03 1ug6 s GLY 294 CO 0.43 -0.16 1.78 -0.84 0.00 0.00 0.00 173.10 174.31 1ug6 h THR 295 N -2.02 0.73 -3.40 0.90 2.02 -1.95 -2.85 112.91 106.34 1ug6 h THR 295 Ca -0.46 -0.26 -0.70 0.00 0.77 0.00 0.00 66.41 65.76 1ug6 h THR 295 Cb 1.28 -0.10 -0.19 0.00 -1.74 0.00 0.00 68.15 67.40 1ug6 h THR 295 CO 0.42 0.14 -0.14 -0.22 0.37 0.00 0.00 175.52 176.09 1ug6 s LEU 296 N -10.30 5.04 -0.54 2.58 2.96 -1.26 -0.53 118.68 116.63 1ug6 s LEU 296 Ca -0.11 -0.87 -0.06 0.00 -0.22 0.00 0.00 54.13 52.86 1ug6 s LEU 296 Cb 0.24 -2.38 -0.14 0.00 0.50 0.00 0.00 46.19 44.42 1ug6 s LEU 296 CO 0.80 -0.70 3.23 -0.81 -1.32 0.00 0.00 176.35 177.55 1ug6 n PRO 297 N 5.73 2.65 -4.08 0.98 -0.04 -1.08 -4.76 135.00 134.40 1ug6 n PRO 297 Ca -0.08 -1.70 -0.11 0.00 -0.04 0.00 0.00 63.50 61.56 1ug6 n PRO 297 Cb 0.46 -2.25 -0.11 0.00 -0.04 0.00 0.00 33.50 31.56 1ug6 n PRO 297 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ug6 s VAL 298 N 0.47 0.51 -0.10 0.52 -7.23 -1.26 -1.31 120.40 112.00 1ug6 s VAL 298 Ca 0.65 -1.33 0.02 0.00 -1.81 0.00 0.00 61.98 59.51 1ug6 s VAL 298 Cb 0.29 -0.91 -0.02 0.00 0.56 0.00 0.00 36.38 36.31 1ug6 s VAL 298 CO -0.06 -0.57 -0.16 -0.60 -0.31 0.00 0.00 175.10 173.40 1ug6 s ARG 299 N -2.31 3.05 0.05 4.82 3.52 0.39 -4.53 118.95 123.94 1ug6 s ARG 299 Ca -0.04 -0.73 -0.20 0.00 -0.13 0.00 0.00 55.73 54.63 1ug6 s ARG 299 Cb -0.05 -2.48 -0.06 0.00 -1.56 0.00 0.00 34.95 30.80 1ug6 s ARG 299 CO -0.02 0.32 0.57 0.71 -0.81 0.00 0.00 175.30 176.08 1ug6 s TYR 300 N 0.04 3.77 0.02 5.12 1.51 -1.26 -0.80 117.35 125.75 1ug6 s TYR 300 Ca -0.06 1.24 0.01 0.00 -1.01 0.00 0.00 57.07 57.25 1ug6 s TYR 300 Cb -0.15 -2.53 -0.04 0.00 -0.11 0.00 0.00 41.96 39.14 1ug6 s TYR 300 CO 0.05 0.52 0.06 -0.51 -1.11 0.00 0.00 175.55 174.56 1ug6 s LEU 301 N -0.81 3.79 0.77 -1.29 1.43 0.19 -4.95 118.68 117.81 1ug6 s LEU 301 Ca 0.29 0.06 -0.13 0.00 -1.03 0.00 0.00 54.13 53.33 1ug6 s LEU 301 Cb -0.19 -2.29 0.06 0.00 0.03 0.00 0.00 46.19 43.80 1ug6 s LEU 301 CO 0.18 0.24 1.15 -2.16 0.23 0.00 0.00 176.35 175.99 1ug6 s PRO 302 N -1.92 2.02 0.34 1.29 0.04 -1.26 -4.56 135.00 130.95 1ug6 s PRO 302 Ca 0.24 1.51 -0.26 0.00 0.04 0.00 0.00 61.00 62.53 1ug6 s PRO 302 Cb -0.12 -1.84 -0.13 0.00 0.04 0.00 0.00 34.50 32.45 1ug6 s PRO 302 CO 0.16 -1.88 0.98 -2.30 0.04 0.00 0.00 177.00 174.00 1ug6 n PRO 303 N -3.20 1.31 -2.57 0.56 -0.02 -1.26 -4.92 135.00 124.91 1ug6 n PRO 303 Ca 0.12 0.46 -0.41 0.00 -2.02 0.00 0.00 63.50 61.65 1ug6 n PRO 303 Cb 0.52 -1.89 -0.03 0.00 -0.02 0.00 0.00 33.50 32.07 1ug6 n PRO 303 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1ug6 s GLU 304 N -1.71 3.46 0.46 -0.52 2.02 -1.26 -4.92 118.70 116.23 1ug6 s GLU 304 Ca 0.60 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 54.74 1ug6 s GLU 304 Cb -0.64 -4.97 0.00 0.00 0.10 0.00 0.00 34.13 28.61 1ug6 s GLU 304 CO 0.59 -2.18 0.00 0.41 0.02 0.00 0.00 175.26 174.10 1ug6 n GLY 305 N 6.38 0.13 3.64 -1.39 0.00 -1.26 -4.94 105.19 107.75 1ug6 n GLY 305 Ca 0.23 -1.68 -0.45 0.00 0.00 0.00 0.00 46.02 44.11 1ug6 n GLY 305 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ug6 n PRO 306 N 0.32 1.75 -4.15 1.61 -0.02 -1.26 -4.91 135.00 128.34 1ug6 n PRO 306 Ca 0.00 0.62 -0.09 0.00 -2.02 0.00 0.00 63.50 62.01 1ug6 n PRO 306 Cb 0.00 -2.20 -0.10 0.00 -0.02 0.00 0.00 33.50 31.18 1ug6 n PRO 306 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ug6 s ALA 307 N -0.31 0.83 0.90 3.55 0.00 -1.26 -1.32 121.76 124.14 1ug6 s ALA 307 Ca 0.67 -1.35 -0.06 0.00 0.00 0.00 0.00 51.96 51.21 1ug6 s ALA 307 Cb -0.70 0.40 0.10 0.00 0.00 0.00 0.00 23.12 22.92 1ug6 s ALA 307 CO 0.53 -0.35 0.63 0.25 0.00 0.00 0.00 175.76 176.81 1ug6 n THR 308 N -0.02 0.00 0.29 0.00 -2.24 -0.43 -4.85 114.28 107.02 1ug6 n THR 308 Ca -0.11 -0.55 0.13 0.00 -2.27 0.00 0.00 64.05 61.25 1ug6 n THR 308 Cb 0.62 -1.62 0.60 0.00 -2.10 0.00 0.00 70.33 67.83 1ug6 n THR 308 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ug6 h ALA 309 N -1.59 1.00 -0.00 6.98 0.00 -1.28 -0.50 119.26 123.86 1ug6 h ALA 309 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ug6 h ALA 309 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ug6 h ALA 309 CO 0.16 0.00 -0.02 -1.33 0.00 0.00 0.00 179.25 178.05 1ug6 n MET 310 N -2.38 0.03 -1.05 0.00 2.81 -1.26 -4.90 117.12 110.37 1ug6 n MET 310 Ca 0.00 -0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.87 1ug6 n MET 310 Cb 0.15 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.15 1ug6 n MET 310 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ug6 n GLY 311 N 1.48 0.53 3.67 3.03 0.00 -0.20 -5.03 105.19 108.69 1ug6 n GLY 311 Ca 0.07 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 1ug6 n GLY 311 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ug6 s TRP 312 N -2.01 3.40 0.28 1.61 0.51 -1.26 -4.75 118.94 116.72 1ug6 s TRP 312 Ca 0.00 0.88 -0.30 0.00 -2.12 0.00 0.00 56.10 54.56 1ug6 s TRP 312 Cb 0.00 -2.72 -0.12 0.00 -0.81 0.00 0.00 33.47 29.82 1ug6 s TRP 312 CO 0.00 -0.08 1.48 -1.91 -0.51 0.00 0.00 176.95 175.93 1ug6 n GLU 313 N 4.68 2.36 -3.05 4.98 2.13 -1.26 -1.32 120.64 129.16 1ug6 n GLU 313 Ca -0.03 0.84 -0.43 0.00 0.66 0.00 0.00 57.16 58.19 1ug6 n GLU 313 Cb 0.50 -2.54 -0.06 0.00 0.27 0.00 0.00 31.44 29.61 1ug6 n GLU 313 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1ug6 s VAL 314 N -0.16 4.75 -0.42 6.31 1.01 -0.44 -4.49 120.40 126.96 1ug6 s VAL 314 Ca 0.65 0.21 0.06 0.00 0.00 0.00 0.00 61.98 62.89 1ug6 s VAL 314 Cb -0.57 -4.27 0.20 0.00 0.00 0.00 0.00 36.38 31.74 1ug6 s VAL 314 CO 0.51 -0.67 0.46 0.00 0.00 0.00 0.00 175.10 175.40 1ug6 n TYR 315 N 6.47 -1.24 0.01 5.22 -0.00 -1.26 -4.85 117.16 121.52 1ug6 n TYR 315 Ca -0.00 -3.07 0.04 0.00 -0.00 0.00 0.00 57.90 54.86 1ug6 n TYR 315 Cb 0.48 0.30 0.42 0.00 -0.00 0.00 0.00 39.34 40.55 1ug6 n TYR 315 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.86 175.86 1ug6 h PRO 316 N 5.02 0.51 0.00 2.98 0.13 -1.93 -1.08 132.00 137.64 1ug6 h PRO 316 Ca 0.17 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 1ug6 h PRO 316 Cb 0.93 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 1ug6 h PRO 316 CO 0.35 0.36 -0.06 1.49 -0.23 0.00 0.00 178.00 179.91 1ug6 h GLU 317 N 0.52 0.00 -0.43 0.86 4.57 -1.94 -1.00 114.58 117.16 1ug6 h GLU 317 Ca 0.14 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.35 1ug6 h GLU 317 Cb -0.02 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1ug6 h GLU 317 CO -0.03 0.06 0.29 0.78 -1.18 0.00 0.00 179.01 178.93 1ug6 h GLY 318 N 0.89 0.54 1.15 1.92 0.00 -1.62 -0.71 103.07 105.25 1ug6 h GLY 318 Ca -0.00 -0.19 -0.17 0.00 0.00 0.00 0.00 47.33 46.97 1ug6 h GLY 318 CO 0.01 0.17 -0.44 -2.00 0.00 0.00 0.00 176.54 174.28 1ug6 h LEU 319 N 0.49 0.99 0.16 3.11 5.85 -1.29 -0.74 115.31 123.88 1ug6 h LEU 319 Ca 0.17 -0.48 0.01 0.00 0.84 0.00 0.00 57.88 58.43 1ug6 h LEU 319 Cb 0.08 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 1ug6 h LEU 319 CO -0.04 1.28 -0.23 0.22 -0.34 0.00 0.00 178.44 179.32 1ug6 h TYR 320 N 0.73 -0.62 -0.60 1.25 3.20 -1.39 -1.19 116.97 118.35 1ug6 h TYR 320 Ca 0.05 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 1ug6 h TYR 320 Cb 1.04 0.25 -0.03 0.00 1.54 0.00 0.00 36.73 39.53 1ug6 h TYR 320 CO 0.07 -0.34 0.15 0.45 -1.64 0.00 0.00 178.16 176.85 1ug6 h HIS 321 N -0.46 0.96 -0.23 -3.82 3.86 -1.09 -1.03 115.15 113.34 1ug6 h HIS 321 Ca 0.02 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 1ug6 h HIS 321 Cb 0.46 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 1ug6 h HIS 321 CO -0.20 0.79 0.12 1.25 0.86 0.00 0.00 177.93 180.76 1ug6 h LEU 322 N 0.89 0.29 -0.75 2.43 5.85 -1.02 -1.27 115.31 121.72 1ug6 h LEU 322 Ca 0.19 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 1ug6 h LEU 322 Cb 0.32 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1ug6 h LEU 322 CO -0.00 0.30 0.13 -0.07 -0.34 0.00 0.00 178.44 178.46 1ug6 h LEU 323 N 0.25 1.02 -0.57 2.25 3.38 -0.94 -0.10 115.31 120.60 1ug6 h LEU 323 Ca 0.08 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1ug6 h LEU 323 Cb 0.09 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1ug6 h LEU 323 CO -0.01 1.00 0.37 0.11 0.09 0.00 0.00 178.44 180.00 1ug6 h LYS 324 N 1.01 0.72 -0.01 1.13 1.79 -0.98 0.59 116.57 120.82 1ug6 h LYS 324 Ca 0.21 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1ug6 h LYS 324 Cb 0.40 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1ug6 h LYS 324 CO 0.01 0.48 0.00 -0.09 -1.08 0.00 0.00 179.45 178.77 1ug6 h ARG 325 N 0.74 0.01 -0.47 3.15 2.43 -0.86 -2.71 114.38 116.67 1ug6 h ARG 325 Ca 0.22 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.35 1ug6 h ARG 325 Cb -0.04 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1ug6 h ARG 325 CO -0.07 0.13 0.13 -0.07 -1.51 0.00 0.00 179.97 178.59 1ug6 h LEU 326 N -0.11 0.64 -1.46 3.80 3.38 -0.86 -1.98 115.31 118.72 1ug6 h LEU 326 Ca 0.00 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1ug6 h LEU 326 Cb 0.12 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1ug6 h LEU 326 CO -0.00 0.63 0.12 1.23 0.09 0.00 0.00 178.44 180.51 1ug6 h GLY 327 N 0.88 0.51 1.65 0.83 0.00 -0.70 0.18 103.07 106.42 1ug6 h GLY 327 Ca 0.16 -0.24 -0.17 0.00 0.00 0.00 0.00 47.33 47.08 1ug6 h GLY 327 CO -0.01 0.23 -0.66 3.21 0.00 0.00 0.00 176.54 179.32 1ug6 h ARG 328 N 0.48 0.36 0.01 4.80 3.08 -1.07 -3.38 114.38 118.66 1ug6 h ARG 328 Ca 0.12 -0.26 -0.35 0.00 0.07 0.00 0.00 59.98 59.56 1ug6 h ARG 328 Cb 0.12 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.16 1ug6 h ARG 328 CO -0.01 0.89 -2.18 0.39 -1.07 0.00 0.00 179.97 177.99 1ug6 n GLU 329 N -3.86 0.67 -3.87 0.04 1.02 -0.81 -4.92 120.64 108.91 1ug6 n GLU 329 Ca -0.03 0.11 -0.36 0.00 -0.02 0.00 0.00 57.16 56.86 1ug6 n GLU 329 Cb 0.66 -1.61 -0.12 0.00 -0.02 0.00 0.00 31.44 30.35 1ug6 n GLU 329 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1ug6 s VAL 330 N -2.53 4.51 -1.57 2.62 1.01 0.57 -4.99 120.40 120.02 1ug6 s VAL 330 Ca -0.12 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 61.80 1ug6 s VAL 330 Cb 0.07 -3.08 0.19 0.00 0.00 0.00 0.00 36.38 33.56 1ug6 s VAL 330 CO 0.80 0.38 1.03 -0.81 0.00 0.00 0.00 175.10 176.50 1ug6 n PRO 331 N 4.39 1.66 -4.38 2.72 -0.04 -1.26 -4.75 135.00 133.34 1ug6 n PRO 331 Ca -0.16 -0.75 -0.21 0.00 -0.04 0.00 0.00 63.50 62.34 1ug6 n PRO 331 Cb 0.52 -1.35 -0.10 0.00 -0.04 0.00 0.00 33.50 32.53 1ug6 n PRO 331 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1ug6 s TRP 332 N -1.64 1.93 0.72 0.54 0.51 -1.26 -5.10 118.94 114.63 1ug6 s TRP 332 Ca 0.14 -0.47 -0.16 0.00 -2.12 0.00 0.00 56.10 53.49 1ug6 s TRP 332 Cb 0.08 -0.90 0.03 0.00 -0.81 0.00 0.00 33.47 31.87 1ug6 s TRP 332 CO 0.07 0.46 1.20 -2.30 -0.51 0.00 0.00 176.95 175.87 1ug6 n PRO 333 N -0.21 0.67 -4.38 4.98 -0.02 -1.26 -4.72 135.00 130.06 1ug6 n PRO 333 Ca -0.09 0.29 -0.30 0.00 -2.02 0.00 0.00 63.50 61.38 1ug6 n PRO 333 Cb 0.59 -2.44 -0.11 0.00 -0.02 0.00 0.00 33.50 31.52 1ug6 n PRO 333 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ug6 s LEU 334 N -4.59 2.97 -0.04 2.45 1.43 -0.10 -1.40 118.68 119.40 1ug6 s LEU 334 Ca 0.78 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 53.56 1ug6 s LEU 334 Cb -0.34 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.13 1ug6 s LEU 334 CO 0.46 0.22 -0.13 -0.31 0.23 0.00 0.00 176.35 176.82 1ug6 s TYR 335 N -1.10 1.37 -0.67 0.29 1.51 -0.71 -0.59 117.35 117.44 1ug6 s TYR 335 Ca 0.19 -0.40 -0.27 0.00 -1.01 0.00 0.00 57.07 55.57 1ug6 s TYR 335 Cb -0.11 -0.96 0.03 0.00 -0.11 0.00 0.00 41.96 40.81 1ug6 s TYR 335 CO 0.10 -0.17 1.25 0.08 -1.11 0.00 0.00 175.55 175.71 1ug6 s VAL 336 N 0.24 3.83 -1.09 0.71 1.01 -0.53 -0.40 120.40 124.18 1ug6 s VAL 336 Ca -0.06 0.61 0.25 0.00 0.00 0.00 0.00 61.98 62.78 1ug6 s VAL 336 Cb -0.11 -4.83 0.05 0.00 0.00 0.00 0.00 36.38 31.48 1ug6 s VAL 336 CO 0.02 -1.64 1.46 0.35 0.00 0.00 0.00 175.10 175.29 1ug6 n THR 337 N 6.51 0.00 -3.67 3.92 -2.24 -0.22 -0.28 114.28 118.31 1ug6 n THR 337 Ca 0.05 -0.01 -0.10 0.00 -2.27 0.00 0.00 64.05 61.72 1ug6 n THR 337 Cb 0.49 0.22 -0.08 0.00 -2.10 0.00 0.00 70.33 68.86 1ug6 n THR 337 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ug6 s GLU 338 N -2.94 0.62 -0.25 -0.78 2.02 -1.22 -4.72 118.70 111.43 1ug6 s GLU 338 Ca 0.13 0.97 -0.22 0.00 0.02 0.00 0.00 54.97 55.87 1ug6 s GLU 338 Cb 0.18 0.17 0.07 0.00 0.10 0.00 0.00 34.13 34.64 1ug6 s GLU 338 CO 0.67 -0.13 0.66 1.21 0.02 0.00 0.00 175.26 177.69 1ug6 s ASN 339 N 1.10 -0.70 0.00 -0.19 3.84 -1.07 -1.93 114.94 115.99 1ug6 s ASN 339 Ca -0.06 1.34 0.00 0.00 0.21 0.00 0.00 52.86 54.34 1ug6 s ASN 339 Cb -0.06 1.34 0.00 0.00 -0.55 0.00 0.00 41.25 41.99 1ug6 s ASN 339 CO -0.11 -0.23 0.00 0.61 -2.79 0.00 0.00 177.10 174.58 1ug6 n GLY 340 N 2.85 -1.51 3.31 1.21 0.00 -1.26 -0.94 105.19 108.86 1ug6 n GLY 340 Ca -0.14 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.69 1ug6 n GLY 340 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug6 s ALA 341 N -1.70 -1.03 -0.27 4.61 0.00 -1.26 -4.89 121.76 117.21 1ug6 s ALA 341 Ca 0.00 0.82 -0.09 0.00 0.00 0.00 0.00 51.96 52.70 1ug6 s ALA 341 Cb 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 1ug6 s ALA 341 CO 0.00 -0.25 0.11 0.00 0.00 0.00 0.00 175.76 175.62 1ug6 s ALA 342 N -0.66 3.26 0.23 0.00 0.00 -1.26 -4.48 121.76 118.85 1ug6 s ALA 342 Ca -0.08 -1.20 0.09 0.00 0.00 0.00 0.00 51.96 50.77 1ug6 s ALA 342 Cb -0.04 -2.24 -0.05 0.00 0.00 0.00 0.00 23.12 20.80 1ug6 s ALA 342 CO 0.03 -0.62 -0.15 0.71 0.00 0.00 0.00 175.76 175.73 1ug6 s TYR 343 N 1.64 1.91 0.17 0.00 1.51 -1.25 -0.73 117.35 120.59 1ug6 s TYR 343 Ca 0.06 -0.51 -0.31 0.00 -1.01 0.00 0.00 57.07 55.30 1ug6 s TYR 343 Cb -0.16 -0.89 -0.09 0.00 -0.11 0.00 0.00 41.96 40.72 1ug6 s TYR 343 CO 0.06 0.46 1.41 -2.14 -1.11 0.00 0.00 175.55 174.22 1ug6 s PRO 344 N -3.61 4.31 -0.01 -1.71 0.02 -1.26 -4.59 135.00 128.15 1ug6 s PRO 344 Ca 0.25 2.15 0.04 0.00 0.02 0.00 0.00 61.00 63.46 1ug6 s PRO 344 Cb -0.02 -3.20 -0.01 0.00 0.02 0.00 0.00 34.50 31.30 1ug6 s PRO 344 CO 0.10 -0.42 -0.13 -0.51 -0.33 0.00 0.00 177.00 175.71 1ug6 s ASP 345 N 0.80 1.51 -0.17 2.53 1.01 -1.26 -5.03 116.67 116.06 1ug6 s ASP 345 Ca 0.63 -0.23 -0.04 0.00 0.71 0.00 0.00 52.55 53.61 1ug6 s ASP 345 Cb -0.39 -0.19 0.07 0.00 1.01 0.00 0.00 42.92 43.43 1ug6 s ASP 345 CO 0.34 0.15 0.17 -0.22 0.21 0.00 0.00 175.17 175.83 1ug6 s LEU 346 N -0.27 0.02 0.11 1.23 2.96 -1.26 -5.06 118.68 116.41 1ug6 s LEU 346 Ca 0.04 -0.21 -0.30 0.00 -0.22 0.00 0.00 54.13 53.44 1ug6 s LEU 346 Cb -0.05 0.18 -0.06 0.00 0.50 0.00 0.00 46.19 46.76 1ug6 s LEU 346 CO -0.00 -0.32 0.97 0.86 -1.32 0.00 0.00 176.35 176.54 1ug6 s TRP 347 N 2.27 3.79 -0.14 5.38 -0.00 -1.26 -4.94 118.94 124.04 1ug6 s TRP 347 Ca 0.05 1.78 0.16 0.00 -0.00 0.00 0.00 56.10 58.08 1ug6 s TRP 347 Cb -0.15 -3.08 0.40 0.00 -0.00 0.00 0.00 33.47 30.65 1ug6 s TRP 347 CO -0.10 0.13 1.19 0.25 -0.00 0.00 0.00 176.95 178.42 1ug6 n THR 348 N 2.83 1.47 0.00 5.86 -2.24 -1.26 -4.96 114.28 115.98 1ug6 n THR 348 Ca 0.03 -2.42 0.00 0.00 -2.27 0.00 0.00 64.05 59.38 1ug6 n THR 348 Cb 0.49 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1ug6 n THR 348 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ug6 n GLY 349 N -0.62 0.52 3.73 3.38 0.00 -1.26 -5.09 105.19 105.85 1ug6 n GLY 349 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1ug6 n GLY 349 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ug6 s GLU 350 N -0.87 1.97 0.18 1.61 1.03 -1.26 -4.96 118.70 116.40 1ug6 s GLU 350 Ca 0.00 1.40 -0.00 0.00 0.03 0.00 0.00 54.97 56.40 1ug6 s GLU 350 Cb 0.00 -1.85 0.07 0.00 -0.80 0.00 0.00 34.13 31.56 1ug6 s GLU 350 CO 0.00 -1.89 1.44 0.00 -1.33 0.00 0.00 175.26 173.48 1ug6 h ALA 351 N -1.03 0.62 -3.23 -0.84 0.00 -1.98 -3.43 119.26 109.37 1ug6 h ALA 351 Ca -0.44 -0.62 -0.47 0.00 0.00 0.00 0.00 54.91 53.38 1ug6 h ALA 351 Cb 1.25 -0.06 -0.38 0.00 0.00 0.00 0.00 17.79 18.60 1ug6 h ALA 351 CO 0.49 0.78 -0.78 0.08 0.00 0.00 0.00 179.25 179.82 1ug6 s VAL 352 N -3.57 0.62 -0.31 0.00 1.01 -1.26 -4.31 120.40 112.58 1ug6 s VAL 352 Ca -0.05 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 1ug6 s VAL 352 Cb 0.11 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.78 1ug6 s VAL 352 CO 0.83 0.30 1.13 -0.69 0.00 0.00 0.00 175.10 176.67 1ug6 s VAL 353 N 1.84 4.42 -0.25 2.92 1.01 -0.37 -4.83 120.40 125.14 1ug6 s VAL 353 Ca 0.05 1.63 -0.29 0.00 0.00 0.00 0.00 61.98 63.36 1ug6 s VAL 353 Cb -0.12 -4.35 0.01 0.00 0.00 0.00 0.00 36.38 31.92 1ug6 s VAL 353 CO -0.06 -0.47 1.10 -1.61 0.00 0.00 0.00 175.10 174.06 1ug6 s GLU 354 N 3.77 4.17 -0.49 2.72 0.41 -1.26 -0.69 118.70 127.32 1ug6 s GLU 354 Ca 0.48 1.31 0.08 0.00 -0.41 0.00 0.00 54.97 56.43 1ug6 s GLU 354 Cb -0.13 -3.70 0.31 0.00 -1.78 0.00 0.00 34.13 28.82 1ug6 s GLU 354 CO 0.17 -0.76 0.77 -0.40 -0.49 0.00 0.00 175.26 174.56 1ug6 n ASP 355 N 6.62 2.49 0.22 -0.19 3.85 -1.26 -4.92 116.55 123.36 1ug6 n ASP 355 Ca 0.12 -3.26 0.06 0.00 -0.71 0.00 0.00 54.79 51.00 1ug6 n ASP 355 Cb 0.46 -0.61 0.55 0.00 -1.35 0.00 0.00 41.12 40.17 1ug6 n ASP 355 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.20 177.74 1ug6 h PRO 356 N 3.37 0.04 -0.32 0.11 0.13 -1.99 -1.69 132.00 131.66 1ug6 h PRO 356 Ca 0.12 -0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 65.11 1ug6 h PRO 356 Cb 0.74 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 1ug6 h PRO 356 CO 0.66 0.12 -0.37 0.93 -0.23 0.00 0.00 178.00 179.12 1ug6 h GLU 357 N 0.04 0.73 -0.39 0.86 5.08 -1.99 -1.05 114.58 117.86 1ug6 h GLU 357 Ca 0.01 -0.36 -0.06 0.00 -1.00 0.00 0.00 59.36 57.95 1ug6 h GLU 357 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1ug6 h GLU 357 CO 0.01 0.98 0.01 -0.09 -1.00 0.00 0.00 179.01 178.92 1ug6 h ARG 358 N 0.61 0.69 -0.37 2.33 2.43 -1.72 -1.61 114.38 116.74 1ug6 h ARG 358 Ca 0.06 -0.21 0.06 0.00 -0.81 0.00 0.00 59.98 59.07 1ug6 h ARG 358 Cb 0.90 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.34 1ug6 h ARG 358 CO 0.08 0.77 0.04 0.28 -1.51 0.00 0.00 179.97 179.63 1ug6 h VAL 359 N 0.52 0.78 -0.69 0.20 2.07 -1.21 -1.09 116.25 116.82 1ug6 h VAL 359 Ca 0.11 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 67.52 1ug6 h VAL 359 Cb 0.45 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1ug6 h VAL 359 CO 0.02 0.03 0.20 0.00 0.02 0.00 0.00 177.57 177.83 1ug6 h ALA 360 N 1.29 1.05 0.02 1.67 0.00 -1.02 -0.07 119.26 122.20 1ug6 h ALA 360 Ca 0.18 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ug6 h ALA 360 Cb 0.22 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1ug6 h ALA 360 CO -0.26 0.64 -0.05 -0.92 0.00 0.00 0.00 179.25 178.66 1ug6 h TYR 361 N 1.02 -0.11 -0.43 0.00 5.03 -0.90 -2.08 116.97 119.50 1ug6 h TYR 361 Ca 0.22 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.48 1ug6 h TYR 361 Cb 0.31 0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.63 1ug6 h TYR 361 CO 0.02 -0.07 0.04 -0.07 -1.32 0.00 0.00 178.16 176.76 1ug6 h LEU 362 N -0.09 0.70 -0.36 2.82 3.38 -0.85 -1.53 115.31 119.37 1ug6 h LEU 362 Ca 0.01 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.76 1ug6 h LEU 362 Cb 0.10 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 1ug6 h LEU 362 CO -0.04 0.81 0.08 -0.08 0.09 0.00 0.00 178.44 179.30 1ug6 h GLU 363 N 0.57 0.20 -0.31 1.13 4.57 -0.96 -0.27 114.58 119.51 1ug6 h GLU 363 Ca 0.13 -0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.15 1ug6 h GLU 363 Cb 0.42 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 1ug6 h GLU 363 CO 0.01 0.13 -0.38 0.00 -1.18 0.00 0.00 179.01 177.59 1ug6 h ALA 364 N 1.27 0.75 -0.33 2.92 0.00 -1.16 -1.56 119.26 121.14 1ug6 h ALA 364 Ca 0.17 -0.44 -0.17 0.00 0.00 0.00 0.00 54.91 54.47 1ug6 h ALA 364 Cb 0.19 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ug6 h ALA 364 CO -0.22 0.66 -0.46 0.45 0.00 0.00 0.00 179.25 179.67 1ug6 h HIS 365 N 0.59 1.09 -0.65 0.00 3.86 -0.97 -2.11 115.15 116.96 1ug6 h HIS 365 Ca 0.05 -0.36 -0.03 0.00 -1.16 0.00 0.00 60.37 58.88 1ug6 h HIS 365 Cb 0.92 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 29.14 1ug6 h HIS 365 CO 0.05 1.18 0.31 0.28 0.86 0.00 0.00 177.93 180.60 1ug6 h VAL 366 N 0.71 1.22 -0.66 2.45 2.07 -0.98 -0.97 116.25 120.09 1ug6 h VAL 366 Ca 0.04 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 66.94 1ug6 h VAL 366 Cb 1.06 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 1ug6 h VAL 366 CO 0.11 0.26 0.42 -0.08 0.02 0.00 0.00 177.57 178.30 1ug6 h GLU 367 N 0.91 0.81 -0.37 1.57 4.22 -1.16 -0.28 114.58 120.28 1ug6 h GLU 367 Ca 0.22 -0.05 -0.06 0.00 0.08 0.00 0.00 59.36 59.56 1ug6 h GLU 367 Cb 0.13 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1ug6 h GLU 367 CO -0.03 0.54 -0.00 0.00 -2.18 0.00 0.00 179.01 177.34 1ug6 h ALA 368 N 1.27 0.50 -0.40 2.92 0.00 -1.09 -1.45 119.26 121.00 1ug6 h ALA 368 Ca 0.26 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1ug6 h ALA 368 Cb -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1ug6 h ALA 368 CO -0.08 0.27 0.06 0.00 0.00 0.00 0.00 179.25 179.50 1ug6 h ALA 369 N 0.87 0.53 0.00 0.00 0.00 -0.90 -2.10 119.26 117.66 1ug6 h ALA 369 Ca 0.10 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1ug6 h ALA 369 Cb 0.47 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ug6 h ALA 369 CO 0.02 0.24 -0.35 -0.07 0.00 0.00 0.00 179.25 179.09 1ug6 h LEU 370 N 0.50 0.00 -0.22 0.00 3.38 -0.98 -1.68 115.31 116.31 1ug6 h LEU 370 Ca 0.12 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.92 1ug6 h LEU 370 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1ug6 h LEU 370 CO 0.01 0.35 -0.53 -0.09 0.09 0.00 0.00 178.44 178.26 1ug6 h ARG 371 N 0.00 0.76 -0.71 1.13 2.43 -1.05 0.20 114.38 117.14 1ug6 h ARG 371 Ca -0.00 -0.51 0.04 0.00 -0.81 0.00 0.00 59.98 58.69 1ug6 h ARG 371 Cb 0.69 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.27 1ug6 h ARG 371 CO 0.04 1.14 0.44 0.00 -1.51 0.00 0.00 179.97 180.08 1ug6 h ALA 372 N 0.62 0.94 -0.43 2.80 0.00 -1.12 -2.08 119.26 119.98 1ug6 h ALA 372 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ug6 h ALA 372 Cb 1.15 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1ug6 h ALA 372 CO 0.12 0.20 0.24 -0.09 0.00 0.00 0.00 179.25 179.72 1ug6 h ARG 373 N 0.85 0.60 -0.61 0.00 2.43 -1.14 -2.17 114.38 114.33 1ug6 h ARG 373 Ca 0.29 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.42 1ug6 h ARG 373 Cb 0.06 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 1ug6 h ARG 373 CO -0.13 0.46 0.40 1.49 -1.51 0.00 0.00 179.97 180.69 1ug6 h GLU 374 N 0.56 0.74 0.00 0.20 4.81 -0.46 -1.55 114.58 118.89 1ug6 h GLU 374 Ca 0.15 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1ug6 h GLU 374 Cb 0.03 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.25 1ug6 h GLU 374 CO -0.03 0.49 0.00 0.93 -0.73 0.00 0.00 179.01 179.68 1ug6 h GLU 375 N 0.77 0.00 0.00 1.92 5.08 -1.02 -3.46 114.58 117.87 1ug6 h GLU 375 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1ug6 h GLU 375 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ug6 h GLU 375 CO -0.06 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.36 1ug6 n GLY 376 N 0.54 0.56 3.74 -3.84 0.00 -0.58 -5.11 105.19 100.49 1ug6 n GLY 376 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1ug6 n GLY 376 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ug6 s VAL 377 N 0.00 2.41 -1.39 1.61 1.01 -0.85 -4.86 120.40 118.32 1ug6 s VAL 377 Ca 0.00 0.32 -0.11 0.00 0.00 0.00 0.00 61.98 62.20 1ug6 s VAL 377 Cb 0.00 -3.21 0.08 0.00 0.00 0.00 0.00 36.38 33.26 1ug6 s VAL 377 CO 0.00 0.04 2.20 -0.67 0.00 0.00 0.00 175.10 176.68 1ug6 n ASP 378 N 2.90 5.51 -4.57 3.32 -0.08 -1.26 -4.30 116.55 118.07 1ug6 n ASP 378 Ca 0.10 -2.95 -0.42 0.00 -1.51 0.00 0.00 54.79 50.01 1ug6 n ASP 378 Cb 0.38 -1.54 -0.06 0.00 2.34 0.00 0.00 41.12 42.24 1ug6 n ASP 378 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1ug6 s LEU 379 N 0.45 4.24 0.00 -2.67 2.96 -1.26 -0.93 118.68 121.47 1ug6 s LEU 379 Ca 0.48 0.17 0.16 0.00 -0.22 0.00 0.00 54.13 54.72 1ug6 s LEU 379 Cb 0.13 -2.81 0.07 0.00 0.50 0.00 0.00 46.19 44.08 1ug6 s LEU 379 CO -0.05 -0.60 0.94 0.54 -1.32 0.00 0.00 176.35 175.86 1ug6 n ARG 380 N 6.07 1.51 -3.64 1.98 1.74 0.25 -4.97 116.66 119.59 1ug6 n ARG 380 Ca -0.01 -1.16 0.02 0.00 -0.77 0.00 0.00 57.85 55.93 1ug6 n ARG 380 Cb 0.49 -1.29 -0.00 0.00 -1.02 0.00 0.00 32.46 30.63 1ug6 n ARG 380 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1ug6 s GLY 381 N -1.62 -0.40 -0.11 -0.13 0.00 -1.26 -1.17 107.32 102.64 1ug6 s GLY 381 Ca 0.16 0.65 -0.05 0.00 0.00 0.00 0.00 44.72 45.48 1ug6 s GLY 381 CO 0.30 0.48 0.25 -0.47 0.00 0.00 0.00 173.10 173.66 1ug6 s TYR 382 N -2.39 -0.34 -0.14 1.90 6.14 -0.34 -1.46 117.35 120.72 1ug6 s TYR 382 Ca 0.15 0.82 0.01 0.00 0.64 0.00 0.00 57.07 58.69 1ug6 s TYR 382 Cb 0.05 0.05 0.02 0.00 0.42 0.00 0.00 41.96 42.50 1ug6 s TYR 382 CO -0.04 -0.24 -0.16 -0.06 0.64 0.00 0.00 175.55 175.69 1ug6 s PHE 383 N 1.33 2.24 0.05 4.97 0.08 0.62 -0.63 117.98 126.65 1ug6 s PHE 383 Ca -0.09 -1.22 -0.31 0.00 0.12 0.00 0.00 56.93 55.44 1ug6 s PHE 383 Cb -0.10 -1.62 -0.06 0.00 -0.57 0.00 0.00 43.02 40.67 1ug6 s PHE 383 CO -0.09 -0.64 1.22 0.08 -0.10 0.00 0.00 175.22 175.70 1ug6 s VAL 384 N 1.29 3.98 -0.37 -0.44 1.01 -0.84 -2.58 120.40 122.45 1ug6 s VAL 384 Ca 0.01 1.41 -0.15 0.00 0.00 0.00 0.00 61.98 63.26 1ug6 s VAL 384 Cb -0.14 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1ug6 s VAL 384 CO -0.08 0.09 0.32 0.86 0.00 0.00 0.00 175.10 176.29 1ug6 s TRP 385 N 1.24 3.22 0.18 5.22 -0.11 -0.11 -0.98 118.94 127.59 1ug6 s TRP 385 Ca 0.59 -0.31 -0.01 0.00 1.22 0.00 0.00 56.10 57.59 1ug6 s TRP 385 Cb -0.30 -2.63 -0.04 0.00 -1.50 0.00 0.00 33.47 29.01 1ug6 s TRP 385 CO 0.28 -0.50 0.11 0.45 -4.62 0.00 0.00 176.95 172.67 1ug6 s SER 386 N 1.73 0.20 0.22 5.86 0.15 -0.83 -4.12 113.70 116.91 1ug6 s SER 386 Ca 0.08 -1.32 -0.08 0.00 0.70 0.00 0.00 55.95 55.33 1ug6 s SER 386 Cb -0.18 0.36 0.33 0.00 -1.71 0.00 0.00 66.02 64.82 1ug6 s SER 386 CO 0.11 -0.81 1.73 0.25 1.20 0.00 0.00 173.24 175.72 1ug6 h LEU 387 N 2.69 0.18 -7.63 3.45 5.85 -1.70 -1.23 115.31 116.92 1ug6 h LEU 387 Ca -0.36 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.38 1ug6 h LEU 387 Cb 1.23 0.09 -0.15 0.00 0.37 0.00 0.00 40.66 42.21 1ug6 h LEU 387 CO 0.55 0.09 -0.26 0.00 -0.34 0.00 0.00 178.44 178.48 1ug6 s MET 388 N -6.08 0.89 0.46 1.25 0.23 -1.26 -1.44 119.30 113.36 1ug6 s MET 388 Ca -0.13 -0.76 -0.24 0.00 -1.03 0.00 0.00 55.69 53.53 1ug6 s MET 388 Cb 0.18 0.38 -0.08 0.00 -1.53 0.00 0.00 34.83 33.78 1ug6 s MET 388 CO 0.75 -0.30 1.24 -0.25 -2.03 0.00 0.00 175.02 174.43 1ug6 n ASP 389 N 0.09 2.34 -1.79 -1.18 8.00 -0.72 -4.19 116.55 119.10 1ug6 n ASP 389 Ca -0.16 1.05 -0.05 0.00 0.71 0.00 0.00 54.79 56.34 1ug6 n ASP 389 Cb 0.62 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.22 1ug6 n ASP 389 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1ug6 n ASN 390 N -0.11 -0.81 -4.58 -2.24 0.23 -1.26 -4.72 115.26 101.76 1ug6 n ASN 390 Ca 0.08 -1.73 -0.42 0.00 -0.53 0.00 0.00 54.58 51.99 1ug6 n ASN 390 Cb 0.41 1.40 -0.03 0.00 -2.08 0.00 0.00 39.78 39.49 1ug6 n ASN 390 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1ug6 s PHE 391 N -5.33 2.18 -1.23 -2.53 5.36 -0.82 -4.63 117.98 110.97 1ug6 s PHE 391 Ca 0.09 0.59 -0.05 0.00 -0.96 0.00 0.00 56.93 56.60 1ug6 s PHE 391 Cb -0.01 -4.30 0.14 0.00 -0.34 0.00 0.00 43.02 38.51 1ug6 s PHE 391 CO 0.07 -2.16 2.34 -1.91 -1.46 0.00 0.00 175.22 172.10 1ug6 n GLU 392 N 8.50 4.56 0.00 10.12 4.07 0.35 -4.66 120.64 143.58 1ug6 n GLU 392 Ca 0.16 -3.54 0.00 0.00 -0.06 0.00 0.00 57.16 53.73 1ug6 n GLU 392 Cb 0.49 -2.58 0.00 0.00 -0.06 0.00 0.00 31.44 29.29 1ug6 n GLU 392 CO 0.00 0.00 0.00 0.91 -0.06 0.00 0.00 177.13 177.98 1ug6 n TRP 393 N 1.45 0.00 0.27 4.31 7.02 -1.26 -0.84 117.44 128.39 1ug6 n TRP 393 Ca 0.60 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 57.15 1ug6 n TRP 393 Cb 0.27 0.00 0.34 0.00 -2.42 0.00 0.00 31.31 29.50 1ug6 n TRP 393 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ug6 n ALA 394 N 10.98 1.35 1.17 6.99 0.00 -1.26 -1.23 120.51 138.51 1ug6 n ALA 394 Ca 0.00 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.62 1ug6 n ALA 394 Cb 0.00 -1.23 0.30 0.00 0.00 0.00 0.00 19.45 18.52 1ug6 n ALA 394 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ug6 n PHE 395 N -1.87 0.00 -2.58 0.00 3.01 -0.02 -0.54 117.46 115.46 1ug6 n PHE 395 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1ug6 n PHE 395 Cb 0.11 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 39.45 1ug6 n PHE 395 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ug6 n GLY 396 N 1.38 3.08 1.52 1.37 0.00 -0.37 -1.72 105.19 110.45 1ug6 n GLY 396 Ca 0.11 -0.24 0.06 0.00 0.00 0.00 0.00 46.02 45.94 1ug6 n GLY 396 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ug6 n TYR 397 N 14.00 1.52 1.12 1.61 4.01 -1.26 -0.50 117.16 137.66 1ug6 n TYR 397 Ca 0.00 -0.54 0.13 0.00 -0.16 0.00 0.00 57.90 57.33 1ug6 n TYR 397 Cb 0.00 -0.37 0.36 0.00 -0.31 0.00 0.00 39.34 39.02 1ug6 n TYR 397 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1ug6 n THR 398 N 0.58 0.00 -4.24 -0.72 -2.24 -0.70 -4.78 114.28 102.17 1ug6 n THR 398 Ca 0.21 -0.05 -0.24 0.00 -2.27 0.00 0.00 64.05 61.71 1ug6 n THR 398 Cb 0.93 0.19 -0.17 0.00 -2.10 0.00 0.00 70.33 69.18 1ug6 n THR 398 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ug6 s ARG 399 N -2.79 1.36 -0.20 -0.78 1.81 -1.26 -5.06 118.95 112.04 1ug6 s ARG 399 Ca 0.17 -0.26 -0.02 0.00 -1.72 0.00 0.00 55.73 53.91 1ug6 s ARG 399 Cb 0.18 -1.28 0.00 0.00 -0.45 0.00 0.00 34.95 33.41 1ug6 s ARG 399 CO 0.61 -0.10 -0.11 1.03 -0.68 0.00 0.00 175.30 176.04 1ug6 s ARG 400 N 1.09 3.22 0.00 3.54 0.52 -1.26 -4.64 118.95 121.41 1ug6 s ARG 400 Ca -0.07 -0.72 0.12 0.00 -0.52 0.00 0.00 55.73 54.55 1ug6 s ARG 400 Cb -0.14 -2.80 0.05 0.00 0.52 0.00 0.00 34.95 32.58 1ug6 s ARG 400 CO -0.01 -0.17 0.80 1.19 0.02 0.00 0.00 175.30 177.13 1ug6 n PHE 401 N 4.63 0.00 -2.02 -0.53 3.01 -1.26 -3.86 117.46 117.42 1ug6 n PHE 401 Ca -0.19 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 57.94 1ug6 n PHE 401 Cb 0.51 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.99 1ug6 n PHE 401 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1ug6 s GLY 402 N -1.28 2.19 0.26 1.37 0.00 -1.26 -1.96 107.32 106.64 1ug6 s GLY 402 Ca 0.12 0.47 0.06 0.00 0.00 0.00 0.00 44.72 45.38 1ug6 s GLY 402 CO 0.23 0.80 1.61 1.41 0.00 0.00 0.00 173.10 177.15 1ug6 h LEU 403 N 0.47 0.22 -9.14 0.66 3.38 -0.96 -3.43 115.31 106.50 1ug6 h LEU 403 Ca -0.47 -0.11 -0.64 0.00 0.09 0.00 0.00 57.88 56.74 1ug6 h LEU 403 Cb 1.23 -0.06 -0.16 0.00 0.09 0.00 0.00 40.66 41.76 1ug6 h LEU 403 CO 0.57 0.72 -0.60 -0.31 0.09 0.00 0.00 178.44 178.91 1ug6 s TYR 404 N -3.85 3.20 0.18 1.13 1.51 -0.52 -1.29 117.35 117.71 1ug6 s TYR 404 Ca -0.04 0.07 -0.30 0.00 -1.01 0.00 0.00 57.07 55.79 1ug6 s TYR 404 Cb 0.12 -1.95 -0.08 0.00 -0.11 0.00 0.00 41.96 39.94 1ug6 s TYR 404 CO 0.78 0.26 1.11 -0.47 -1.11 0.00 0.00 175.55 176.12 1ug6 s TYR 405 N -0.12 3.58 -0.22 2.71 6.14 0.53 -1.75 117.35 128.23 1ug6 s TYR 405 Ca 0.05 1.59 -0.04 0.00 0.64 0.00 0.00 57.07 59.31 1ug6 s TYR 405 Cb -0.12 -3.28 -0.01 0.00 0.42 0.00 0.00 41.96 38.96 1ug6 s TYR 405 CO 0.02 -0.64 -0.04 0.08 0.64 0.00 0.00 175.55 175.60 1ug6 s VAL 406 N -0.21 3.38 -0.86 3.14 1.01 -1.26 -0.78 120.40 124.82 1ug6 s VAL 406 Ca 0.50 -0.49 -0.25 0.00 0.00 0.00 0.00 61.98 61.74 1ug6 s VAL 406 Cb -0.30 -2.53 0.05 0.00 0.00 0.00 0.00 36.38 33.60 1ug6 s VAL 406 CO 0.35 0.43 1.31 -0.62 0.00 0.00 0.00 175.10 176.57 1ug6 s ASP 407 N 1.44 6.32 0.26 3.32 2.15 -0.37 -4.91 116.67 124.88 1ug6 s ASP 407 Ca 0.05 -0.98 -0.02 0.00 0.43 0.00 0.00 52.55 52.03 1ug6 s ASP 407 Cb -0.14 -2.54 0.43 0.00 -0.30 0.00 0.00 42.92 40.37 1ug6 s ASP 407 CO -0.03 -1.63 1.86 -0.26 -0.17 0.00 0.00 175.17 174.94 1ug6 h PHE 408 N 9.84 1.13 -0.91 -5.34 0.04 -1.94 0.31 116.94 120.07 1ug6 h PHE 408 Ca -0.07 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.80 1ug6 h PHE 408 Cb 1.03 -0.37 -0.06 0.00 2.20 0.00 0.00 35.95 38.76 1ug6 h PHE 408 CO 1.18 0.54 0.59 -1.35 -0.60 0.00 0.00 178.31 178.67 1ug6 h PRO 409 N 1.08 1.01 0.00 1.51 0.11 -1.97 -2.93 132.00 130.80 1ug6 h PRO 409 Ca 0.44 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.49 1ug6 h PRO 409 Cb 0.26 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.15 1ug6 h PRO 409 CO -0.20 0.67 -1.32 -1.13 -0.21 0.00 0.00 178.00 175.80 1ug6 n SER 410 N -4.49 0.68 -0.47 -2.05 3.41 -0.89 -4.98 113.62 104.83 1ug6 n SER 410 Ca 0.14 -0.67 -0.06 0.00 -0.26 0.00 0.00 58.87 58.02 1ug6 n SER 410 Cb 0.19 1.33 -0.03 0.00 -0.26 0.00 0.00 64.21 65.44 1ug6 n SER 410 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ug6 n GLN 411 N -1.75 -1.37 -2.02 4.33 1.13 0.10 -4.98 117.38 112.83 1ug6 n GLN 411 Ca 0.01 0.64 -0.41 0.00 -1.94 0.00 0.00 57.00 55.31 1ug6 n GLN 411 Cb 0.41 -4.80 -0.02 0.00 0.11 0.00 0.00 30.24 25.94 1ug6 n GLN 411 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1ug6 s ARG 412 N -2.23 4.27 -0.22 -1.09 3.52 -1.19 -4.80 118.95 117.22 1ug6 s ARG 412 Ca 0.00 2.31 -0.09 0.00 -0.13 0.00 0.00 55.73 57.82 1ug6 s ARG 412 Cb 0.00 -3.08 -0.05 0.00 -1.56 0.00 0.00 34.95 30.27 1ug6 s ARG 412 CO 0.00 -0.36 0.12 1.03 -0.81 0.00 0.00 175.30 175.28 1ug6 s ARG 413 N -1.09 4.04 -0.12 5.12 3.00 -1.26 -1.24 118.95 127.40 1ug6 s ARG 413 Ca 0.55 -0.29 0.02 0.00 0.00 0.00 0.00 55.73 56.01 1ug6 s ARG 413 Cb -0.42 -3.41 0.01 0.00 0.00 0.00 0.00 34.95 31.13 1ug6 s ARG 413 CO 0.49 0.15 -0.19 0.42 0.00 0.00 0.00 175.30 176.17 1ug6 s ILE 414 N 0.77 1.79 0.37 1.52 1.09 0.04 -4.96 121.20 121.82 1ug6 s ILE 414 Ca 0.06 -0.83 -0.28 0.00 -1.10 0.00 0.00 60.65 58.51 1ug6 s ILE 414 Cb -0.13 -1.59 -0.11 0.00 -1.06 0.00 0.00 42.46 39.57 1ug6 s ILE 414 CO 0.02 0.50 1.44 -2.16 -0.10 0.00 0.00 174.94 174.64 1ug6 s PRO 415 N 0.80 4.13 0.54 2.79 0.04 -1.26 -0.34 135.00 141.69 1ug6 s PRO 415 Ca -0.09 2.47 -0.03 0.00 0.04 0.00 0.00 61.00 63.39 1ug6 s PRO 415 Cb -0.16 -2.97 0.01 0.00 0.04 0.00 0.00 34.50 31.43 1ug6 s PRO 415 CO 0.00 -0.47 0.81 0.15 0.04 0.00 0.00 177.00 177.53 1ug6 s LYS 416 N -2.06 2.89 0.40 4.56 1.02 -0.41 -1.24 119.74 124.91 1ug6 s LYS 416 Ca 0.52 -0.29 0.13 0.00 0.02 0.00 0.00 55.97 56.36 1ug6 s LYS 416 Cb -0.45 -2.40 0.97 0.00 -0.52 0.00 0.00 37.83 35.44 1ug6 s LYS 416 CO 0.60 -0.57 1.90 -0.09 -0.92 0.00 0.00 175.35 176.28 1ug6 h ARG 417 N 0.04 0.50 -0.08 1.68 9.65 -1.20 -0.73 114.38 124.24 1ug6 h ARG 417 Ca -0.45 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.38 1ug6 h ARG 417 Cb 1.26 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.72 1ug6 h ARG 417 CO 0.58 0.33 -0.03 0.66 2.80 0.00 0.00 179.97 184.31 1ug6 h SER 418 N 0.51 0.11 -0.47 -3.80 4.64 -1.83 0.82 113.55 113.52 1ug6 h SER 418 Ca 0.39 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.68 1ug6 h SER 418 Cb 0.79 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.83 1ug6 h SER 418 CO -0.15 0.17 0.23 0.00 -0.87 0.00 0.00 176.83 176.21 1ug6 h ALA 419 N 1.85 0.61 -0.52 5.18 0.00 -1.17 -0.29 119.26 124.93 1ug6 h ALA 419 Ca 0.03 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1ug6 h ALA 419 Cb 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1ug6 h ALA 419 CO 0.01 0.17 -0.13 -0.07 0.00 0.00 0.00 179.25 179.23 1ug6 h LEU 420 N 0.62 0.98 -0.71 0.00 4.07 -1.29 -1.72 115.31 117.26 1ug6 h LEU 420 Ca 0.16 -0.33 0.03 0.00 0.08 0.00 0.00 57.88 57.82 1ug6 h LEU 420 Cb 0.12 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 41.55 1ug6 h LEU 420 CO -0.02 1.11 0.45 -0.25 -1.08 0.00 0.00 178.44 178.65 1ug6 h TRP 421 N 0.87 0.85 -0.44 1.13 7.01 -0.71 -2.31 115.95 122.36 1ug6 h TRP 421 Ca 0.13 0.02 -0.14 0.00 2.11 0.00 0.00 58.89 61.02 1ug6 h TRP 421 Cb 0.68 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 27.45 1ug6 h TRP 421 CO 0.04 0.49 -0.28 -0.92 -2.79 0.00 0.00 178.44 174.99 1ug6 h TYR 422 N 0.89 1.12 -0.57 2.65 3.20 -0.63 0.14 116.97 123.77 1ug6 h TYR 422 Ca 0.28 -0.30 0.09 0.00 3.14 0.00 0.00 58.73 61.94 1ug6 h TYR 422 Cb 0.00 -0.25 -0.07 0.00 1.54 0.00 0.00 36.73 37.95 1ug6 h TYR 422 CO -0.04 1.12 0.20 -0.09 -1.64 0.00 0.00 178.16 177.72 1ug6 h ARG 423 N 0.79 0.37 -0.45 1.82 2.43 -1.19 0.00 114.38 118.16 1ug6 h ARG 423 Ca 0.09 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1ug6 h ARG 423 Cb 0.86 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.31 1ug6 h ARG 423 CO 0.08 0.24 0.08 1.49 -1.51 0.00 0.00 179.97 180.35 1ug6 h GLU 424 N 0.38 0.74 -0.66 0.20 4.22 -0.87 -2.97 114.58 115.62 1ug6 h GLU 424 Ca 0.28 -0.20 -0.05 0.00 0.08 0.00 0.00 59.36 59.48 1ug6 h GLU 424 Cb 0.34 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1ug6 h GLU 424 CO -0.29 0.76 0.22 -0.09 -2.18 0.00 0.00 179.01 177.43 1ug6 h ARG 425 N 0.60 1.01 -0.70 1.92 9.65 -0.08 -0.43 114.38 126.36 1ug6 h ARG 425 Ca 0.14 -0.21 0.01 0.00 -1.10 0.00 0.00 59.98 58.81 1ug6 h ARG 425 Cb 0.37 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 28.77 1ug6 h ARG 425 CO 0.01 0.88 0.46 0.82 2.80 0.00 0.00 179.97 184.94 1ug6 h ILE 426 N 0.95 1.17 -0.00 1.20 2.04 -1.00 -2.56 117.51 119.31 1ug6 h ILE 426 Ca 0.21 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1ug6 h ILE 426 Cb 0.28 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1ug6 h ILE 426 CO -0.01 0.17 -0.14 0.00 0.00 0.00 0.00 178.15 178.17 1ug6 n ALA 427 N -2.29 2.78 -1.82 1.87 0.00 -0.97 -4.96 120.51 115.11 1ug6 n ALA 427 Ca 0.06 -0.24 -0.41 0.00 0.00 0.00 0.00 53.44 52.85 1ug6 n ALA 427 Cb 0.02 -1.34 -0.02 0.00 0.00 0.00 0.00 19.45 18.11 1ug6 n ALA 427 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1ug6 s ARG 428 N -2.68 4.20 0.00 0.00 3.52 -0.21 -5.09 118.95 118.69 1ug6 s ARG 428 Ca 0.23 2.43 0.09 0.00 -0.13 0.00 0.00 55.73 58.35 1ug6 s ARG 428 Cb 0.19 -3.07 0.52 0.00 -1.56 0.00 0.00 34.95 31.03 1ug6 s ARG 428 CO 0.52 -0.53 0.97 0.00 -0.81 0.00 0.00 175.30 175.46