#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u6m n LEU 3 N 0.00 -0.77 -4.22 -3.43 -0.00 -1.24 -4.31 117.00 103.03 1u6m n LEU 3 Ca 0.00 1.71 -0.31 0.00 -0.00 0.00 0.00 56.01 57.41 1u6m n LEU 3 Cb 0.00 -4.42 -0.17 0.00 -0.00 0.00 0.00 43.42 38.83 1u6m n LEU 3 CO 0.00 -3.48 -0.56 -0.63 -0.00 0.00 0.00 177.39 172.72 1u6m s ILE 4 N -2.63 2.00 0.10 1.96 1.01 -1.26 -0.37 121.20 122.00 1u6m s ILE 4 Ca 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 60.65 59.63 1u6m s ILE 4 Cb 0.00 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 1u6m s ILE 4 CO 0.00 0.55 0.06 0.00 0.00 0.00 0.00 174.94 175.55 1u6m s ARG 5 N 0.26 0.81 0.34 2.79 1.70 -0.17 -4.97 118.95 119.72 1u6m s ARG 5 Ca -0.16 -1.27 -0.27 0.00 -0.47 0.00 0.00 55.73 53.56 1u6m s ARG 5 Cb -0.17 0.25 -0.12 0.00 -0.57 0.00 0.00 34.95 34.34 1u6m s ARG 5 CO 0.08 -0.21 1.15 0.43 -1.08 0.00 0.00 175.30 175.66 1u6m n SER 6 N -0.02 2.01 -4.77 -2.89 7.64 -1.26 0.29 113.62 114.63 1u6m n SER 6 Ca -0.10 1.16 -0.33 0.00 1.01 0.00 0.00 58.87 60.61 1u6m n SER 6 Cb 0.62 -1.40 0.06 0.00 -1.01 0.00 0.00 64.21 62.48 1u6m n SER 6 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u6m s ALA 7 N -1.12 2.42 0.35 -0.43 0.00 -0.76 -4.69 121.76 117.52 1u6m s ALA 7 Ca 0.58 0.50 0.04 0.00 0.00 0.00 0.00 51.96 53.08 1u6m s ALA 7 Cb -0.60 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.15 1u6m s ALA 7 CO 0.60 -1.39 0.08 0.95 0.00 0.00 0.00 175.76 176.00 1u6m s THR 8 N -2.44 1.00 0.55 0.00 -4.23 -1.26 -4.66 115.64 104.61 1u6m s THR 8 Ca 0.66 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.44 1u6m s THR 8 Cb -0.20 -2.64 0.33 0.00 1.34 0.00 0.00 72.50 71.33 1u6m s THR 8 CO 0.44 0.00 2.21 0.11 -0.54 0.00 0.00 174.62 176.85 1u6m h LYS 9 N 2.01 0.00 0.00 3.99 1.57 -1.95 -1.88 116.57 120.30 1u6m h LYS 9 Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1u6m h LYS 9 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1u6m h LYS 9 CO 0.66 0.02 0.00 -0.85 -0.57 0.00 0.00 179.45 178.71 1u6m n GLU 10 N -3.92 0.21 0.00 3.15 0.00 -1.26 -1.94 120.64 116.88 1u6m n GLU 10 Ca -0.03 0.39 0.12 0.00 0.00 0.00 0.00 57.16 57.64 1u6m n GLU 10 Cb 0.11 -1.86 0.56 0.00 0.00 0.00 0.00 31.44 30.25 1u6m n GLU 10 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1u6m n ASP 11 N -2.24 0.00 -0.30 -1.84 8.00 -0.71 -4.40 116.55 115.06 1u6m n ASP 11 Ca 0.03 0.31 -0.07 0.00 0.71 0.00 0.00 54.79 55.77 1u6m n ASP 11 Cb 0.26 -0.43 -0.06 0.00 -0.02 0.00 0.00 41.12 40.88 1u6m n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u6m n GLY 12 N 0.98 -1.80 0.33 0.44 0.00 -0.82 -1.39 105.19 102.93 1u6m n GLY 12 Ca 0.08 0.84 -0.03 0.00 0.00 0.00 0.00 46.02 46.91 1u6m n GLY 12 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1u6m h GLN 13 N 0.00 1.00 -0.14 1.61 1.08 -1.85 -0.77 115.11 116.04 1u6m h GLN 13 Ca 0.13 -0.16 -0.04 0.00 -1.45 0.00 0.00 58.65 57.14 1u6m h GLN 13 Cb 0.31 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1u6m h GLN 13 CO -0.68 0.81 -0.05 0.00 -0.95 0.00 0.00 178.83 177.96 1u6m h ALA 14 N 1.32 0.20 -0.54 3.87 0.00 -1.75 -2.49 119.26 119.87 1u6m h ALA 14 Ca 0.23 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1u6m h ALA 14 Cb 0.17 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1u6m h ALA 14 CO -0.02 -0.03 0.20 0.82 0.00 0.00 0.00 179.25 180.22 1u6m h ILE 15 N -0.04 0.82 -0.75 0.00 2.04 -1.12 -2.58 117.51 115.89 1u6m h ILE 15 Ca 0.03 -0.13 0.06 0.00 1.00 0.00 0.00 64.86 65.82 1u6m h ILE 15 Cb 0.50 0.40 -0.06 0.00 -0.74 0.00 0.00 36.82 36.92 1u6m h ILE 15 CO 0.02 0.07 0.44 0.00 0.00 0.00 0.00 178.15 178.68 1u6m h ALA 16 N 1.36 1.02 -0.46 1.87 0.00 -1.05 -0.67 119.26 121.33 1u6m h ALA 16 Ca 0.26 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1u6m h ALA 16 Cb 0.28 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1u6m h ALA 16 CO -0.26 0.14 0.07 0.00 0.00 0.00 0.00 179.25 179.20 1u6m h ARG 17 N 0.80 0.70 -0.28 0.00 3.08 -1.23 -1.04 114.38 116.40 1u6m h ARG 17 Ca 0.33 -0.15 -0.17 0.00 0.07 0.00 0.00 59.98 60.07 1u6m h ARG 17 Cb 0.19 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 1u6m h ARG 17 CO -0.18 0.66 -0.50 -0.07 -1.07 0.00 0.00 179.97 178.82 1u6m h LEU 18 N 0.67 0.86 -0.53 3.04 3.38 -1.02 -3.22 115.31 118.49 1u6m h LEU 18 Ca 0.15 -0.44 -0.16 0.00 0.09 0.00 0.00 57.88 57.52 1u6m h LEU 18 Cb 0.31 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1u6m h LEU 18 CO 0.00 1.20 -0.51 0.58 0.09 0.00 0.00 178.44 179.80 1u6m h VAL 19 N 0.62 1.31 -0.15 1.22 2.07 -1.10 -2.72 116.25 117.49 1u6m h VAL 19 Ca 0.03 -1.74 0.03 0.00 0.82 0.00 0.00 66.70 65.84 1u6m h VAL 19 Cb 1.08 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 1u6m h VAL 19 CO 0.11 0.54 0.10 0.25 0.02 0.00 0.00 177.57 178.60 1u6m h LEU 20 N 0.46 0.05 -0.63 2.57 7.12 -1.20 -0.79 115.31 122.90 1u6m h LEU 20 Ca 0.02 -0.00 -0.07 0.00 0.13 0.00 0.00 57.88 57.96 1u6m h LEU 20 Cb 1.05 -0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 41.15 1u6m h LEU 20 CO 0.10 0.04 0.14 0.58 -0.13 0.00 0.00 178.44 179.16 1u6m h VAL 21 N 0.06 1.26 0.59 1.05 2.07 -1.52 -3.25 116.25 116.50 1u6m h VAL 21 Ca 0.07 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 1u6m h VAL 21 Cb 0.19 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1u6m h VAL 21 CO -0.01 0.36 -0.31 0.40 0.02 0.00 0.00 177.57 178.03 1u6m h ILE 22 N 0.93 0.00 -3.74 4.57 2.04 -1.16 -2.91 117.51 117.23 1u6m h ILE 22 Ca 0.19 0.00 -0.55 0.00 1.00 0.00 0.00 64.86 65.50 1u6m h ILE 22 Cb 0.38 0.00 0.18 0.00 -0.74 0.00 0.00 36.82 36.64 1u6m h ILE 22 CO 0.01 0.00 0.05 0.18 0.00 0.00 0.00 178.15 178.39 1u6m n LEU 23 N -4.30 3.21 0.00 1.44 4.77 -0.51 -2.97 117.00 118.64 1u6m n LEU 23 Ca -0.10 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1u6m n LEU 23 Cb 0.33 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.03 1u6m n LEU 23 CO 0.24 -2.16 0.00 0.29 -1.33 0.00 0.00 177.39 174.43 1u6m n LYS 24 N -1.87 0.00 0.00 3.23 5.02 -1.26 -4.52 118.16 118.76 1u6m n LYS 24 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1u6m n LYS 24 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.51 1u6m n LYS 24 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1u6m n ASP 25 N 4.22 0.53 0.00 4.39 9.92 -1.10 0.70 116.55 135.21 1u6m n ASP 25 Ca 0.00 -0.94 0.00 0.00 -0.53 0.00 0.00 54.79 53.32 1u6m n ASP 25 Cb 0.00 -0.23 0.00 0.00 -0.64 0.00 0.00 41.12 40.25 1u6m n ASP 25 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 1u6m n MET 26 N 0.30 0.03 -2.82 -1.24 0.00 -1.16 -5.02 117.12 107.20 1u6m n MET 26 Ca 0.00 -0.31 -0.25 0.00 0.00 0.00 0.00 57.70 57.14 1u6m n MET 26 Cb 0.12 -0.51 0.02 0.00 0.00 0.00 0.00 33.22 32.86 1u6m n MET 26 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 1u6m n GLU 27 N -0.01 -1.25 -3.39 2.12 -0.00 0.22 -4.89 120.64 113.43 1u6m n GLU 27 Ca 0.00 0.87 -0.41 0.00 -0.00 0.00 0.00 57.16 57.63 1u6m n GLU 27 Cb 0.39 -1.37 -0.09 0.00 -0.00 0.00 0.00 31.44 30.37 1u6m n GLU 27 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1u6m s LEU 28 N -2.08 4.38 0.23 -1.84 1.98 -1.26 -4.89 118.68 115.20 1u6m s LEU 28 Ca 0.22 -0.16 0.11 0.00 -2.89 0.00 0.00 54.13 51.41 1u6m s LEU 28 Cb -0.02 -2.36 0.81 0.00 0.66 0.00 0.00 46.19 45.28 1u6m s LEU 28 CO 0.60 -0.33 1.03 -2.65 -1.89 0.00 0.00 176.35 173.11 1u6m n PRO 29 N 5.40 -0.04 0.24 0.98 -0.01 -1.26 -2.17 135.00 138.13 1u6m n PRO 29 Ca -0.09 0.91 0.15 0.00 -0.01 0.00 0.00 63.50 64.46 1u6m n PRO 29 Cb 0.50 -1.61 0.81 0.00 -0.01 0.00 0.00 33.50 33.19 1u6m n PRO 29 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 175.50 176.31 1u6m h ILE 30 N 0.00 0.62 0.00 4.25 5.03 -1.94 -3.11 117.51 122.36 1u6m h ILE 30 Ca 0.53 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 65.25 1u6m h ILE 30 Cb 1.35 0.92 -0.00 0.00 -3.03 0.00 0.00 36.82 36.06 1u6m h ILE 30 CO -0.52 0.00 -0.08 -0.07 -0.68 0.00 0.00 178.15 176.80 1u6m h LEU 31 N 0.00 0.00-10.01 1.44 3.38 -1.74 -3.30 115.31 105.07 1u6m h LEU 31 Ca 0.05 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.53 1u6m h LEU 31 Cb 0.25 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1u6m h LEU 31 CO -0.00 0.08 0.09 -1.61 0.09 0.00 0.00 178.44 177.10 1u6m s GLU 32 N -4.87 4.00 0.00 1.13 2.02 -1.18 -3.98 118.70 115.82 1u6m s GLU 32 Ca -0.04 0.66 0.00 0.00 0.02 0.00 0.00 54.97 55.61 1u6m s GLU 32 Cb 0.16 -2.44 0.00 0.00 0.10 0.00 0.00 34.13 31.96 1u6m s GLU 32 CO 0.68 0.16 0.00 -1.91 0.02 0.00 0.00 175.26 174.21 1u6m n GLU 33 N -0.35 0.00 -4.81 1.61 0.00 -1.26 -5.00 120.64 110.82 1u6m n GLU 33 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 57.16 56.95 1u6m n GLU 33 Cb 0.53 -0.13 -0.15 0.00 0.00 0.00 0.00 31.44 31.69 1u6m n GLU 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1u6m s VAL 34 N -2.07 1.35 0.58 6.31 0.11 -1.24 -5.12 120.40 120.32 1u6m s VAL 34 Ca 0.00 -0.72 -0.17 0.00 -2.93 0.00 0.00 61.98 58.16 1u6m s VAL 34 Cb 0.00 -1.14 -0.04 0.00 -1.53 0.00 0.00 36.38 33.67 1u6m s VAL 34 CO 0.00 0.39 1.07 -0.94 -3.33 0.00 0.00 175.10 172.28 1u6m s SER 35 N -0.28 5.79 0.45 3.54 1.04 -1.26 -4.79 113.70 118.19 1u6m s SER 35 Ca 0.04 1.90 0.12 0.00 0.48 0.00 0.00 55.95 58.49 1u6m s SER 35 Cb -0.08 -2.55 1.03 0.00 0.10 0.00 0.00 66.02 64.53 1u6m s SER 35 CO 0.00 -1.16 2.05 1.05 0.98 0.00 0.00 173.24 176.16 1u6m h GLU 36 N 0.67 0.35 -0.14 4.02 9.09 -1.98 0.13 114.58 126.71 1u6m h GLU 36 Ca -0.48 -0.02 -0.04 0.00 0.05 0.00 0.00 59.36 58.87 1u6m h GLU 36 Cb 1.23 -0.08 -0.00 0.00 -1.65 0.00 0.00 28.75 28.25 1u6m h GLU 36 CO 0.57 0.23 -0.08 1.49 0.05 0.00 0.00 179.01 181.27 1u6m h GLU 37 N 0.36 0.30 0.00 1.06 4.81 -2.00 -2.64 114.58 116.47 1u6m h GLU 37 Ca 0.16 -0.14 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 1u6m h GLU 37 Cb 0.20 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1u6m h GLU 37 CO -0.04 0.65 -0.48 -0.56 -0.73 0.00 0.00 179.01 177.85 1u6m h GLN 38 N -0.05 0.00 -0.23 1.92 3.07 -1.88 -2.90 115.11 115.04 1u6m h GLN 38 Ca 0.03 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.72 1u6m h GLN 38 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.11 1u6m h GLN 38 CO 0.02 0.48 -0.08 1.98 0.09 0.00 0.00 178.83 181.32 1u6m h MET 39 N 0.00 0.36 -0.29 0.06 4.05 -0.76 0.05 114.93 118.40 1u6m h MET 39 Ca -0.00 -0.08 -0.03 0.00 -0.28 0.00 0.00 59.70 59.30 1u6m h MET 39 Cb 1.29 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 32.03 1u6m h MET 39 CO 0.06 0.46 0.06 0.82 0.23 0.00 0.00 176.91 178.54 1u6m h ILE 40 N 0.35 1.23 -0.46 1.77 1.08 -1.34 -1.82 117.51 118.31 1u6m h ILE 40 Ca 0.07 -0.77 -0.06 0.00 -0.39 0.00 0.00 64.86 63.71 1u6m h ILE 40 Cb 0.37 1.17 -0.02 0.00 -3.07 0.00 0.00 36.82 35.26 1u6m h ILE 40 CO 0.02 0.25 0.05 0.44 -0.69 0.00 0.00 178.15 178.22 1u6m h ASP 41 N 0.31 0.69 -0.04 1.72 3.32 -1.30 0.32 116.42 121.44 1u6m h ASP 41 Ca 0.09 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1u6m h ASP 41 Cb 0.32 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1u6m h ASP 41 CO 0.00 0.72 -0.03 -0.07 -1.72 0.00 0.00 179.24 178.15 1u6m h LEU 42 N 0.69 0.09 -0.66 1.55 3.38 -0.92 -1.61 115.31 117.84 1u6m h LEU 42 Ca 0.15 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 1u6m h LEU 42 Cb 0.35 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1u6m h LEU 42 CO 0.01 0.54 0.26 -0.07 0.09 0.00 0.00 178.44 179.26 1u6m h LEU 43 N -0.36 0.91 -0.53 1.67 3.38 -1.29 -1.91 115.31 117.18 1u6m h LEU 43 Ca 0.01 -0.18 0.07 0.00 0.09 0.00 0.00 57.88 57.87 1u6m h LEU 43 Cb 0.51 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 1u6m h LEU 43 CO 0.01 0.84 0.22 0.00 0.09 0.00 0.00 178.44 179.60 1u6m h ALA 44 N 1.11 0.67 -0.69 1.53 0.00 -0.31 -1.97 119.26 119.60 1u6m h ALA 44 Ca 0.22 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1u6m h ALA 44 Cb 0.22 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1u6m h ALA 44 CO -0.02 -0.17 0.28 1.49 0.00 0.00 0.00 179.25 180.83 1u6m h GLU 45 N 0.42 1.01 0.00 0.00 4.81 -1.06 -2.55 114.58 117.20 1u6m h GLU 45 Ca 0.25 -0.17 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1u6m h GLU 45 Cb 0.25 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1u6m h GLU 45 CO -0.23 0.82 -0.23 0.00 -0.73 0.00 0.00 179.01 178.64 1u6m h ALA 46 N 1.31 1.20 0.00 2.92 0.00 -0.81 -2.80 119.26 121.07 1u6m h ALA 46 Ca 0.23 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1u6m h ALA 46 Cb 0.18 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1u6m h ALA 46 CO -0.02 0.28 -0.02 1.79 0.00 0.00 0.00 179.25 181.28 1u6m h THR 47 N 0.00 0.08 0.00 0.00 1.35 -0.93 -2.33 112.91 111.08 1u6m h THR 47 Ca -0.00 -0.33 -0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1u6m h THR 47 Cb 0.57 1.30 -0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1u6m h THR 47 CO 0.03 0.02 -0.00 0.00 -0.25 0.00 0.00 175.52 175.31 1u6m h ALA 48 N 1.98 1.00 -1.97 6.62 0.00 -1.60 -0.02 119.26 125.27 1u6m h ALA 48 Ca -0.00 -0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.31 1u6m h ALA 48 Cb 0.30 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.99 1u6m h ALA 48 CO 0.00 0.00 0.63 0.71 0.00 0.00 0.00 179.25 180.59 1u6m s TYR 49 N -3.66 3.01 0.56 0.00 1.51 -0.88 -4.88 117.35 113.01 1u6m s TYR 49 Ca 0.01 0.65 0.43 0.00 -1.01 0.00 0.00 57.07 57.15 1u6m s TYR 49 Cb 0.09 -3.82 2.24 0.00 -0.11 0.00 0.00 41.96 40.36 1u6m s TYR 49 CO 0.55 -0.95 2.30 -1.00 -1.11 0.00 0.00 175.55 175.34 1u6m h PRO 50 N 8.73 0.00 0.00 -1.71 0.13 -1.87 -0.67 132.00 136.61 1u6m h PRO 50 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1u6m h PRO 50 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1u6m h PRO 50 CO 1.01 0.00 -0.51 0.25 -0.23 0.00 0.00 178.00 178.52 1u6m n THR 51 N -3.08 0.00 -1.73 1.56 -2.24 -1.26 -4.41 114.28 103.13 1u6m n THR 51 Ca -0.02 -0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.37 1u6m n THR 51 Cb 0.11 0.26 0.05 0.00 -2.10 0.00 0.00 70.33 68.65 1u6m n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u6m n TYR 52 N -1.50 2.07 -0.35 4.78 9.36 -0.26 -4.35 117.16 126.92 1u6m n TYR 52 Ca 0.05 0.43 0.00 0.00 3.32 0.00 0.00 57.90 61.71 1u6m n TYR 52 Cb 0.34 -2.31 0.06 0.00 -0.63 0.00 0.00 39.34 36.79 1u6m n TYR 52 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 1u6m h ARG 53 N 1.06 -0.02 -0.88 2.98 2.43 -1.38 0.78 114.38 119.34 1u6m h ARG 53 Ca -0.51 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.11 1u6m h ARG 53 Cb 1.32 0.00 -0.29 0.00 -0.42 0.00 0.00 29.97 30.59 1u6m h ARG 53 CO 0.55 -0.01 0.47 0.66 -1.51 0.00 0.00 179.97 180.13 1u6m n TYR 54 N -5.51 2.85 -2.16 2.20 4.01 -1.26 -4.73 117.16 112.56 1u6m n TYR 54 Ca 0.11 -2.44 -0.37 0.00 -0.16 0.00 0.00 57.90 55.04 1u6m n TYR 54 Cb 0.42 -1.05 0.01 0.00 -0.31 0.00 0.00 39.34 38.40 1u6m n TYR 54 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1u6m s GLY 55 N -2.02 2.75 0.29 2.72 0.00 0.27 -4.46 107.32 106.87 1u6m s GLY 55 Ca 0.58 0.97 0.04 0.00 0.00 0.00 0.00 44.72 46.31 1u6m s GLY 55 CO 0.03 1.40 1.78 0.10 0.00 0.00 0.00 173.10 176.42 1u6m h TYR 56 N 1.61 1.02 0.00 1.90 -0.00 -1.21 -0.79 116.97 119.50 1u6m h TYR 56 Ca -0.50 0.03 0.00 0.00 0.00 0.00 0.00 58.73 58.27 1u6m h TYR 56 Cb 1.26 -0.31 0.00 0.00 0.00 0.00 0.00 36.73 37.69 1u6m h TYR 56 CO 0.51 0.26 0.00 0.37 -0.00 0.00 0.00 178.16 179.30 1u6m h GLN 57 N 0.78 0.00 -0.44 0.10 4.15 -1.83 -2.15 115.11 115.73 1u6m h GLN 57 Ca 0.54 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.96 1u6m h GLN 57 Cb 0.77 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.46 1u6m h GLN 57 CO -0.36 0.00 0.00 0.54 -1.93 0.00 0.00 178.83 177.08 1u6m n ARG 58 N -2.32 2.48 -4.96 1.69 1.74 -0.30 -4.98 116.66 110.01 1u6m n ARG 58 Ca 0.01 -2.29 -0.33 0.00 -0.77 0.00 0.00 57.85 54.47 1u6m n ARG 58 Cb 0.17 -1.49 -0.15 0.00 -1.02 0.00 0.00 32.46 29.97 1u6m n ARG 58 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1u6m s ILE 59 N -1.32 2.66 -0.14 0.55 1.01 -0.81 -2.51 121.20 120.65 1u6m s ILE 59 Ca 0.38 -0.81 -0.07 0.00 0.00 0.00 0.00 60.65 60.15 1u6m s ILE 59 Cb 0.22 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 1u6m s ILE 59 CO 0.30 0.54 0.11 -0.76 0.00 0.00 0.00 174.94 175.13 1u6m s LEU 60 N 0.28 4.20 -0.16 2.97 1.02 0.21 -1.83 118.68 125.37 1u6m s LEU 60 Ca -0.13 0.34 -0.03 0.00 0.02 0.00 0.00 54.13 54.33 1u6m s LEU 60 Cb -0.16 -2.04 -0.02 0.00 0.02 0.00 0.00 46.19 43.99 1u6m s LEU 60 CO 0.07 0.33 -0.06 -0.69 0.02 0.00 0.00 176.35 176.01 1u6m s VAL 61 N -0.53 3.59 -0.27 -1.59 1.01 0.15 -1.08 120.40 121.67 1u6m s VAL 61 Ca 0.12 -0.46 -0.22 0.00 0.00 0.00 0.00 61.98 61.42 1u6m s VAL 61 Cb -0.12 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 1u6m s VAL 61 CO 0.02 0.48 0.72 -0.47 0.00 0.00 0.00 175.10 175.85 1u6m s TYR 62 N 0.60 3.26 -0.15 5.22 6.14 -0.43 -1.00 117.35 130.99 1u6m s TYR 62 Ca -0.04 0.85 -0.04 0.00 0.64 0.00 0.00 57.07 58.48 1u6m s TYR 62 Cb -0.15 -3.01 -0.03 0.00 0.42 0.00 0.00 41.96 39.19 1u6m s TYR 62 CO 0.03 -0.43 -0.00 -2.00 0.64 0.00 0.00 175.55 173.79 1u6m s GLU 63 N 2.72 3.60 -0.09 4.97 2.12 0.50 -0.75 118.70 131.77 1u6m s GLU 63 Ca 0.30 -0.45 -0.05 0.00 0.36 0.00 0.00 54.97 55.13 1u6m s GLU 63 Cb -0.15 -2.97 0.04 0.00 0.26 0.00 0.00 34.13 31.31 1u6m s GLU 63 CO 0.10 0.35 0.21 -1.58 -0.54 0.00 0.00 175.26 173.80 1u6m s HIS 64 N 0.09 -0.27 -1.46 5.30 2.46 -0.52 -3.73 115.29 117.17 1u6m s HIS 64 Ca 0.02 0.66 -0.09 0.00 0.47 0.00 0.00 55.06 56.11 1u6m s HIS 64 Cb -0.13 0.02 0.04 0.00 -0.13 0.00 0.00 32.58 32.38 1u6m s HIS 64 CO 0.02 -0.19 0.80 0.00 -2.47 0.00 0.00 174.74 172.90 1u6m n ALA 65 N 3.98 -1.14 -0.71 1.58 0.00 -1.26 -0.87 120.51 122.08 1u6m n ALA 65 Ca -0.23 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1u6m n ALA 65 Cb 0.54 -4.16 0.00 0.00 0.00 0.00 0.00 19.45 15.83 1u6m n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u6m n GLY 66 N -1.59 1.26 3.50 0.00 0.00 -1.26 -5.01 105.19 102.08 1u6m n GLY 66 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 1u6m n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u6m s GLU 67 N -0.13 1.80 -0.68 1.61 2.02 -0.05 -5.06 118.70 118.21 1u6m s GLU 67 Ca 0.00 -1.35 -0.27 0.00 0.02 0.00 0.00 54.97 53.37 1u6m s GLU 67 Cb 0.00 -2.03 0.01 0.00 0.10 0.00 0.00 34.13 32.21 1u6m s GLU 67 CO 0.00 0.43 1.55 0.08 0.02 0.00 0.00 175.26 177.34 1u6m s VAL 68 N -1.59 3.55 -0.11 2.63 1.01 -1.26 -1.43 120.40 123.20 1u6m s VAL 68 Ca 0.22 0.30 0.15 0.00 0.00 0.00 0.00 61.98 62.65 1u6m s VAL 68 Cb -0.09 -4.47 -0.09 0.00 0.00 0.00 0.00 36.38 31.73 1u6m s VAL 68 CO 0.12 -1.42 1.04 0.00 0.00 0.00 0.00 175.10 174.84 1u6m h ALA 69 N 12.28 0.64 -2.40 5.51 0.00 -1.23 -3.45 119.26 130.61 1u6m h ALA 69 Ca -0.27 -0.78 0.17 0.00 0.00 0.00 0.00 54.91 54.03 1u6m h ALA 69 Cb 1.10 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 1u6m h ALA 69 CO 1.25 0.91 0.48 0.20 0.00 0.00 0.00 179.25 182.09 1u6m s GLY 70 N -4.71 -0.16 0.01 0.00 0.00 -1.17 -0.30 107.32 100.99 1u6m s GLY 70 Ca -0.01 0.02 -0.02 0.00 0.00 0.00 0.00 44.72 44.71 1u6m s GLY 70 CO 0.79 0.29 0.02 -0.26 0.00 0.00 0.00 173.10 173.95 1u6m s ILE 71 N -3.13 0.10 -0.17 0.90 -4.36 -0.03 -1.31 121.20 113.20 1u6m s ILE 71 Ca 0.14 -0.81 0.01 0.00 -0.26 0.00 0.00 60.65 59.72 1u6m s ILE 71 Cb -0.02 -0.31 0.02 0.00 1.25 0.00 0.00 42.46 43.41 1u6m s ILE 71 CO 0.03 -0.45 -0.16 0.00 0.24 0.00 0.00 174.94 174.61 1u6m s ALA 72 N -1.39 2.07 -0.12 2.27 0.00 -0.24 -1.92 121.76 122.43 1u6m s ALA 72 Ca -0.15 -1.07 -0.02 0.00 0.00 0.00 0.00 51.96 50.72 1u6m s ALA 72 Cb -0.09 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.87 1u6m s ALA 72 CO -0.00 -0.43 -0.06 0.08 0.00 0.00 0.00 175.76 175.35 1u6m s VAL 73 N 1.39 3.72 0.21 0.00 1.01 -0.22 -0.62 120.40 125.90 1u6m s VAL 73 Ca 0.04 -0.44 -0.21 0.00 0.00 0.00 0.00 61.98 61.37 1u6m s VAL 73 Cb -0.13 -2.58 0.08 0.00 0.00 0.00 0.00 36.38 33.74 1u6m s VAL 73 CO -0.11 0.54 1.02 0.61 0.00 0.00 0.00 175.10 177.15 1u6m n GLY 74 N 3.04 0.63 3.55 4.51 0.00 -1.04 -1.10 105.19 114.78 1u6m n GLY 74 Ca -0.18 -1.17 -0.09 0.00 0.00 0.00 0.00 46.02 44.58 1u6m n GLY 74 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1u6m s TYR 75 N -2.06 -0.35 0.24 1.61 -0.85 -0.79 -4.77 117.35 110.39 1u6m s TYR 75 Ca 0.22 0.44 -0.31 0.00 -0.52 0.00 0.00 57.07 56.90 1u6m s TYR 75 Cb -0.03 0.49 -0.13 0.00 0.38 0.00 0.00 41.96 42.66 1u6m s TYR 75 CO 0.06 -0.41 1.40 -2.30 -1.52 0.00 0.00 175.55 172.78 1u6m n PRO 76 N 0.29 2.03 -0.14 -3.49 -0.02 -1.26 -0.13 135.00 132.28 1u6m n PRO 76 Ca -0.09 0.72 0.27 0.00 -2.02 0.00 0.00 63.50 62.38 1u6m n PRO 76 Cb 0.59 -2.37 0.72 0.00 -0.02 0.00 0.00 33.50 32.42 1u6m n PRO 76 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u6m h ALA 77 N 4.14 2.78 0.00 3.55 0.00 -1.46 -0.65 119.26 127.61 1u6m h ALA 77 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1u6m h ALA 77 Cb 1.28 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1u6m h ALA 77 CO 0.75 -1.01 0.00 -0.85 0.00 0.00 0.00 179.25 178.14 1u6m n GLU 78 N -4.29 0.18 0.00 0.00 0.00 -1.26 -2.63 120.64 112.64 1u6m n GLU 78 Ca 0.17 0.36 0.14 0.00 0.00 0.00 0.00 57.16 57.83 1u6m n GLU 78 Cb 0.89 -1.81 0.69 0.00 0.00 0.00 0.00 31.44 31.21 1u6m n GLU 78 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1u6m n ASP 79 N -2.14 0.00 0.19 -1.84 9.92 -0.25 -4.42 116.55 118.01 1u6m n ASP 79 Ca 0.03 0.09 0.13 0.00 -0.53 0.00 0.00 54.79 54.51 1u6m n ASP 79 Cb 0.25 -0.36 0.70 0.00 -0.64 0.00 0.00 41.12 41.07 1u6m n ASP 79 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1u6m h GLU 80 N 0.00 0.00 -0.00 -1.24 4.81 -1.68 0.76 114.58 117.23 1u6m h GLU 80 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1u6m h GLU 80 Cb 0.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1u6m h GLU 80 CO 0.00 0.00 -0.07 1.63 -0.73 0.00 0.00 179.01 179.84 1u6m n LYS 81 N -4.37 0.35 -0.03 1.92 5.02 -1.26 -4.07 118.16 115.72 1u6m n LYS 81 Ca 0.01 -0.06 0.04 0.00 -2.02 0.00 0.00 58.31 56.28 1u6m n LYS 81 Cb 0.25 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.62 1u6m n LYS 81 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1u6m n ILE 82 N -1.28 0.33 0.17 -0.18 -0.00 0.24 -4.69 119.36 113.96 1u6m n ILE 82 Ca 0.12 -0.50 0.03 0.00 -0.00 0.00 0.00 62.75 62.40 1u6m n ILE 82 Cb 0.28 -0.10 0.30 0.00 -0.00 0.00 0.00 39.64 40.13 1u6m n ILE 82 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.55 176.71 1u6m h ILE 83 N 0.00 1.17 0.00 1.39 3.07 -1.65 -3.18 117.51 118.32 1u6m h ILE 83 Ca -0.13 -1.63 0.00 0.00 1.55 0.00 0.00 64.86 64.65 1u6m h ILE 83 Cb 1.17 1.92 0.00 0.00 -0.27 0.00 0.00 36.82 39.64 1u6m h ILE 83 CO 0.01 0.44 -0.74 0.47 -1.05 0.00 0.00 178.15 177.27 1u6m n ASP 84 N -3.78 0.62 -0.20 2.16 8.00 -1.26 -0.96 116.55 121.13 1u6m n ASP 84 Ca -0.01 -0.14 -0.00 0.00 0.71 0.00 0.00 54.79 55.35 1u6m n ASP 84 Cb 0.51 0.44 0.11 0.00 -0.02 0.00 0.00 41.12 42.15 1u6m n ASP 84 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1u6m h GLU 85 N 0.00 0.42 -0.63 -1.24 4.57 -1.85 -2.25 114.58 113.60 1u6m h GLU 85 Ca 0.00 -0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.23 1u6m h GLU 85 Cb 0.66 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.12 1u6m h GLU 85 CO 0.00 0.28 0.41 -1.35 -1.18 0.00 0.00 179.01 177.17 1u6m h PRO 86 N 0.44 0.55 -0.24 0.92 0.11 -1.79 -0.52 132.00 131.47 1u6m h PRO 86 Ca 0.30 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.32 1u6m h PRO 86 Cb 0.36 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 1u6m h PRO 86 CO -0.29 0.36 -0.10 1.25 -0.21 0.00 0.00 178.00 179.01 1u6m h LEU 87 N 0.57 0.37 -0.40 2.35 6.46 -1.70 -2.12 115.31 120.83 1u6m h LEU 87 Ca 0.28 -0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.94 1u6m h LEU 87 Cb 0.35 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 1u6m h LEU 87 CO -0.08 0.51 0.20 0.03 -0.62 0.00 0.00 178.44 178.48 1u6m h ARG 88 N 0.37 0.57 -0.48 1.25 2.47 -0.99 -0.41 114.38 117.16 1u6m h ARG 88 Ca 0.07 -0.08 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 1u6m h ARG 88 Cb 0.41 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.60 1u6m h ARG 88 CO 0.02 0.49 0.19 1.49 0.56 0.00 0.00 179.97 182.72 1u6m h GLU 89 N 0.51 0.72 -0.58 0.04 4.81 -1.17 -1.94 114.58 116.97 1u6m h GLU 89 Ca 0.14 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1u6m h GLU 89 Cb 0.10 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1u6m h GLU 89 CO -0.02 0.64 0.28 0.28 -0.73 0.00 0.00 179.01 179.46 1u6m h VAL 90 N 0.63 1.21 -0.64 0.32 2.07 -1.22 -1.61 116.25 117.01 1u6m h VAL 90 Ca 0.16 -0.59 0.10 0.00 0.82 0.00 0.00 66.70 67.19 1u6m h VAL 90 Cb 0.19 0.53 -0.08 0.00 -1.52 0.00 0.00 31.29 30.41 1u6m h VAL 90 CO -0.01 0.24 0.24 -0.26 0.02 0.00 0.00 177.57 177.80 1u6m h PHE 91 N 0.79 0.42 0.11 1.57 -1.00 -0.79 -2.72 116.94 115.33 1u6m h PHE 91 Ca 0.20 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 61.00 1u6m h PHE 91 Cb 0.12 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 39.59 1u6m h PHE 91 CO -0.00 0.10 -0.05 -0.22 -1.61 0.00 0.00 178.31 176.52 1u6m h LYS 92 N 0.42 -0.15 -1.05 1.51 3.64 -1.19 -0.62 116.57 119.13 1u6m h LYS 92 Ca 0.33 0.01 0.27 0.00 -1.27 0.00 0.00 60.65 59.99 1u6m h LYS 92 Cb 0.42 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.19 1u6m h LYS 92 CO -0.32 0.05 0.69 0.87 -2.27 0.00 0.00 179.45 178.47 1u6m h LYS 93 N -0.32 0.31 -0.16 1.90 1.57 -1.25 -0.83 116.57 117.78 1u6m h LYS 93 Ca -0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1u6m h LYS 93 Cb 0.26 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1u6m h LYS 93 CO 0.03 0.20 0.00 0.72 -0.57 0.00 0.00 179.45 179.83 1u6m n HIS 94 N -4.54 0.20 -1.64 -1.35 8.25 -1.03 -4.94 115.22 110.17 1u6m n HIS 94 Ca 0.25 -0.10 -0.07 0.00 -0.26 0.00 0.00 57.72 57.53 1u6m n HIS 94 Cb 0.93 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 32.02 1u6m n HIS 94 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u6m n GLY 95 N 1.17 0.54 0.00 -1.41 0.00 -0.32 -5.04 105.19 100.13 1u6m n GLY 95 Ca 0.17 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1u6m n GLY 95 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u6m n LEU 96 N -0.94 0.00 -4.68 0.99 7.99 -0.27 -4.99 117.00 115.10 1u6m n LEU 96 Ca -0.08 0.00 -0.64 0.00 -0.01 0.00 0.00 56.01 55.28 1u6m n LEU 96 Cb 0.39 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.61 1u6m n LEU 96 CO 0.11 -0.12 1.02 0.00 -1.51 0.00 0.00 177.39 176.89 1u6m n ALA 97 N -3.00 -1.76 -0.13 -1.18 0.00 -1.26 -4.59 120.51 108.58 1u6m n ALA 97 Ca 0.00 0.51 -0.11 0.00 0.00 0.00 0.00 53.44 53.84 1u6m n ALA 97 Cb 0.00 -1.92 -0.02 0.00 0.00 0.00 0.00 19.45 17.51 1u6m n ALA 97 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1u6m h GLU 98 N 4.75 0.79 -2.33 0.00 4.39 -1.94 -3.40 114.58 116.85 1u6m h GLU 98 Ca -0.46 -0.32 -0.64 0.00 0.34 0.00 0.00 59.36 58.28 1u6m h GLU 98 Cb 1.38 -0.04 -0.39 0.00 -0.10 0.00 0.00 28.75 29.60 1u6m h GLU 98 CO 0.89 0.94 -0.32 -0.25 -1.16 0.00 0.00 179.01 179.11 1u6m n ASP 99 N -4.30 4.30 -4.69 1.42 8.00 -1.26 -5.00 116.55 115.02 1u6m n ASP 99 Ca -0.01 -3.44 -0.42 0.00 0.71 0.00 0.00 54.79 51.63 1u6m n ASP 99 Cb 0.38 -0.79 -0.03 0.00 -0.02 0.00 0.00 41.12 40.66 1u6m n ASP 99 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1u6m s VAL 100 N -2.55 4.87 -0.19 2.53 1.01 -1.26 -5.01 120.40 119.79 1u6m s VAL 100 Ca 0.38 1.87 -0.29 0.00 0.00 0.00 0.00 61.98 63.94 1u6m s VAL 100 Cb 0.13 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 1u6m s VAL 100 CO 0.01 0.09 1.38 -0.13 0.00 0.00 0.00 175.10 176.45 1u6m s ARG 101 N 1.59 4.08 0.28 2.72 0.52 -1.26 -5.03 118.95 121.85 1u6m s ARG 101 Ca 0.45 1.63 0.12 0.00 -0.52 0.00 0.00 55.73 57.41 1u6m s ARG 101 Cb -0.19 -3.87 -0.05 0.00 0.52 0.00 0.00 34.95 31.37 1u6m s ARG 101 CO 0.19 -0.92 -0.18 -0.51 0.02 0.00 0.00 175.30 173.91 1u6m s LEU 102 N 4.05 2.66 -0.18 2.53 1.43 -1.26 -4.65 118.68 123.26 1u6m s LEU 102 Ca 0.60 -0.98 -0.29 0.00 -1.03 0.00 0.00 54.13 52.43 1u6m s LEU 102 Cb -0.23 -1.17 -0.07 0.00 0.03 0.00 0.00 46.19 44.76 1u6m s LEU 102 CO 0.21 0.03 2.17 2.22 0.23 0.00 0.00 176.35 181.21 1u6m n PHE 103 N -0.66 2.04 -2.61 0.29 1.16 -1.26 -4.88 117.46 111.54 1u6m n PHE 103 Ca -0.05 -0.13 -0.35 0.00 -1.87 0.00 0.00 57.45 55.04 1u6m n PHE 103 Cb 0.60 -2.72 0.00 0.00 -1.61 0.00 0.00 39.48 35.75 1u6m n PHE 103 CO 0.00 0.00 0.00 1.51 -1.87 0.00 0.00 176.76 176.40 1u6m n ILE 104 N 7.25 4.45 -5.26 1.97 3.06 -1.26 -5.01 119.36 124.56 1u6m n ILE 104 Ca 0.29 -5.52 -0.31 0.00 -2.50 0.00 0.00 62.75 54.71 1u6m n ILE 104 Cb 0.42 -1.43 -0.17 0.00 0.54 0.00 0.00 39.64 39.00 1u6m n ILE 104 CO 0.00 0.00 0.00 -0.70 -2.50 0.00 0.00 176.55 173.35 1u6m s GLU 105 N -3.96 2.59 -0.05 9.51 2.56 -1.26 -5.11 118.70 122.98 1u6m s GLU 105 Ca 0.45 -0.90 -0.29 0.00 0.00 0.00 0.00 54.97 54.23 1u6m s GLU 105 Cb 0.28 -2.17 -0.02 0.00 2.00 0.00 0.00 34.13 34.22 1u6m s GLU 105 CO -0.18 0.36 0.97 -1.83 -0.56 0.00 0.00 175.26 174.02 1u6m s GLU 106 N -0.11 4.49 0.00 4.30 1.03 -1.26 -4.91 118.70 122.24 1u6m s GLU 106 Ca -0.05 1.36 0.00 0.00 0.03 0.00 0.00 54.97 56.31 1u6m s GLU 106 Cb -0.14 -3.50 0.00 0.00 -0.80 0.00 0.00 34.13 29.69 1u6m s GLU 106 CO 0.04 -0.17 0.48 -0.85 -1.33 0.00 0.00 175.26 173.44 1u6m n GLU 107 N 4.41 0.51 -4.29 -4.83 0.28 -1.26 -4.97 120.64 110.48 1u6m n GLU 107 Ca 0.07 -0.59 -0.25 0.00 -0.16 0.00 0.00 57.16 56.23 1u6m n GLU 107 Cb 0.50 -0.66 -0.09 0.00 1.43 0.00 0.00 31.44 32.63 1u6m n GLU 107 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1u6m s THR 108 N -0.21 3.28 0.04 3.84 -1.32 -1.26 -4.87 115.64 115.15 1u6m s THR 108 Ca 0.00 -1.75 0.06 0.00 -1.21 0.00 0.00 61.69 58.79 1u6m s THR 108 Cb 0.00 -2.67 -0.03 0.00 -1.51 0.00 0.00 72.50 68.28 1u6m s THR 108 CO 0.00 -0.20 -0.14 -0.76 -2.21 0.00 0.00 174.62 171.31 1u6m s LEU 109 N -3.13 2.83 0.39 9.08 1.43 -1.26 -5.07 118.68 122.95 1u6m s LEU 109 Ca 0.27 -0.34 0.20 0.00 -1.03 0.00 0.00 54.13 53.24 1u6m s LEU 109 Cb -0.08 -1.65 1.18 0.00 0.03 0.00 0.00 46.19 45.68 1u6m s LEU 109 CO 0.17 0.25 1.70 -0.65 0.23 0.00 0.00 176.35 178.05 1u6m h PRO 110 N 4.42 0.28 -0.54 1.29 0.11 -2.01 -3.22 132.00 132.34 1u6m h PRO 110 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1u6m h PRO 110 Cb 1.16 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1u6m h PRO 110 CO 0.50 0.19 0.00 0.27 -0.21 0.00 0.00 178.00 178.75 1u6m n ASN 111 N -4.77 2.88 -4.20 -2.05 0.23 -1.26 -4.75 115.26 101.34 1u6m n ASN 111 Ca 0.31 -2.17 -0.23 0.00 -0.53 0.00 0.00 54.58 51.96 1u6m n ASN 111 Cb 1.07 -0.40 -0.13 0.00 -2.08 0.00 0.00 39.78 38.23 1u6m n ASN 111 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 1u6m s GLU 112 N -1.60 1.12 -0.16 -3.83 -1.05 -1.22 -2.70 118.70 109.27 1u6m s GLU 112 Ca 0.31 -0.88 -0.29 0.00 -0.15 0.00 0.00 54.97 53.96 1u6m s GLU 112 Cb 0.19 -1.20 -0.01 0.00 -0.44 0.00 0.00 34.13 32.66 1u6m s GLU 112 CO 0.17 0.30 1.16 -0.46 0.95 0.00 0.00 175.26 177.38 1u6m s TRP 113 N -0.89 3.12 -0.15 4.83 -0.00 -0.54 -1.22 118.94 124.09 1u6m s TRP 113 Ca 0.04 1.24 -0.18 0.00 -0.00 0.00 0.00 56.10 57.21 1u6m s TRP 113 Cb -0.09 -3.39 -0.04 0.00 -0.00 0.00 0.00 33.47 29.96 1u6m s TRP 113 CO 0.02 -1.12 0.46 -0.47 -0.00 0.00 0.00 176.95 175.84 1u6m s TYR 114 N 3.05 3.46 -0.67 5.86 6.14 0.82 -0.52 117.35 135.49 1u6m s TYR 114 Ca 0.51 0.80 -0.27 0.00 0.64 0.00 0.00 57.07 58.75 1u6m s TYR 114 Cb -0.20 -2.55 0.02 0.00 0.42 0.00 0.00 41.96 39.65 1u6m s TYR 114 CO 0.13 0.10 1.38 -1.17 0.64 0.00 0.00 175.55 176.63 1u6m s LEU 115 N 0.91 3.25 0.04 6.97 2.96 -0.05 -1.88 118.68 130.88 1u6m s LEU 115 Ca 0.24 -0.15 -0.28 0.00 -0.22 0.00 0.00 54.13 53.72 1u6m s LEU 115 Cb -0.15 -2.71 -0.17 0.00 0.50 0.00 0.00 46.19 43.66 1u6m s LEU 115 CO 0.09 -1.86 1.40 -0.78 -1.32 0.00 0.00 176.35 173.88 1u6m h ASP 116 N 10.86 -0.52 -4.79 3.68 3.58 -1.44 -3.43 116.42 124.37 1u6m h ASP 116 Ca -0.27 -0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.05 1u6m h ASP 116 Cb 1.07 0.14 -0.19 0.00 1.72 0.00 0.00 39.33 42.06 1u6m h ASP 116 CO 1.24 -0.24 0.16 0.28 -2.88 0.00 0.00 179.24 177.80 1u6m s THR 117 N -5.27 0.00 -0.24 2.25 -1.32 -1.07 -5.03 115.64 104.97 1u6m s THR 117 Ca -0.15 -0.02 0.02 0.00 -1.21 0.00 0.00 61.69 60.33 1u6m s THR 117 Cb 0.03 -0.98 0.04 0.00 -1.51 0.00 0.00 72.50 70.08 1u6m s THR 117 CO 0.57 -0.01 -0.13 -0.63 -2.21 0.00 0.00 174.62 172.21 1u6m s ILE 118 N -0.86 2.23 -0.06 5.08 1.01 -1.26 -1.06 121.20 126.28 1u6m s ILE 118 Ca -0.09 -1.37 0.05 0.00 0.00 0.00 0.00 60.65 59.25 1u6m s ILE 118 Cb -0.01 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.25 1u6m s ILE 118 CO 0.08 0.16 -0.21 -0.44 0.00 0.00 0.00 174.94 174.52 1u6m s SER 119 N 1.18 3.41 -0.07 3.58 0.01 -0.81 -4.99 113.70 116.01 1u6m s SER 119 Ca -0.04 -0.41 0.04 0.00 1.31 0.00 0.00 55.95 56.86 1u6m s SER 119 Cb -0.18 -0.83 -0.01 0.00 0.21 0.00 0.00 66.02 65.21 1u6m s SER 119 CO -0.07 0.28 -0.21 -0.69 0.41 0.00 0.00 173.24 172.95 1u6m s VAL 120 N -0.33 2.41 0.32 3.43 1.01 -1.26 -0.85 120.40 125.13 1u6m s VAL 120 Ca 0.02 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 1u6m s VAL 120 Cb -0.13 -1.92 -0.11 0.00 0.00 0.00 0.00 36.38 34.23 1u6m s VAL 120 CO 0.02 0.56 1.49 -0.62 0.00 0.00 0.00 175.10 176.56 1u6m s ASP 121 N -0.13 6.47 0.50 3.32 -1.08 0.59 -4.92 116.67 121.41 1u6m s ASP 121 Ca -0.03 2.90 0.17 0.00 -0.52 0.00 0.00 52.55 55.06 1u6m s ASP 121 Cb -0.14 -2.65 1.22 0.00 -1.46 0.00 0.00 42.92 39.89 1u6m s ASP 121 CO 0.04 -0.81 2.07 -0.33 0.52 0.00 0.00 175.17 176.66 1u6m h GLU 122 N 4.05 0.13 0.00 4.34 4.39 -1.99 0.20 114.58 125.70 1u6m h GLU 122 Ca -0.48 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1u6m h GLU 122 Cb 1.23 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1u6m h GLU 122 CO 0.72 0.09 0.00 0.54 -1.16 0.00 0.00 179.01 179.20 1u6m n ARG 123 N -4.47 0.10 -0.56 2.33 1.74 -1.26 -3.87 116.66 110.66 1u6m n ARG 123 Ca 0.04 0.33 0.07 0.00 -0.77 0.00 0.00 57.85 57.51 1u6m n ARG 123 Cb 0.28 -1.69 0.16 0.00 -1.02 0.00 0.00 32.46 30.20 1u6m n ARG 123 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1u6m n PHE 124 N -1.87 0.00 -1.73 -1.55 3.72 0.06 -5.06 117.46 111.02 1u6m n PHE 124 Ca 0.03 -1.20 -0.31 0.00 -0.05 0.00 0.00 57.45 55.92 1u6m n PHE 124 Cb 0.20 -0.21 0.03 0.00 -0.94 0.00 0.00 39.48 38.57 1u6m n PHE 124 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1u6m s ARG 125 N -2.66 3.16 -0.03 -1.08 1.81 -1.23 -4.00 118.95 114.93 1u6m s ARG 125 Ca 0.34 0.95 0.00 0.00 -1.72 0.00 0.00 55.73 55.30 1u6m s ARG 125 Cb 0.33 -2.02 0.00 0.00 -0.45 0.00 0.00 34.95 32.81 1u6m s ARG 125 CO -0.05 -0.92 0.00 0.41 -0.68 0.00 0.00 175.30 174.06 1u6m n GLY 126 N -1.98 0.47 0.54 -3.53 0.00 -1.26 -4.92 105.19 94.51 1u6m n GLY 126 Ca 0.07 -0.18 0.06 0.00 0.00 0.00 0.00 46.02 45.98 1u6m n GLY 126 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1u6m n MET 127 N -2.74 1.26 -0.99 1.61 2.81 -1.26 -4.98 117.12 112.84 1u6m n MET 127 Ca -0.00 -1.46 0.00 0.00 -1.81 0.00 0.00 57.70 54.43 1u6m n MET 127 Cb 0.04 -1.25 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 1u6m n MET 127 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u6m n GLY 128 N 0.67 0.49 0.10 3.03 0.00 -1.26 -4.95 105.19 103.27 1u6m n GLY 128 Ca 0.09 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1u6m n GLY 128 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1u6m h ILE 129 N 0.00 0.85 -0.93 -0.61 2.04 -1.94 -1.14 117.51 115.79 1u6m h ILE 129 Ca 0.00 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.86 1u6m h ILE 129 Cb 0.00 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 1u6m h ILE 129 CO 0.00 0.01 0.61 1.23 0.00 0.00 0.00 178.15 180.00 1u6m h GLY 130 N 0.03 1.31 1.03 5.37 0.00 -1.95 0.25 103.07 109.11 1u6m h GLY 130 Ca 0.08 -0.48 -0.16 0.00 0.00 0.00 0.00 47.33 46.77 1u6m h GLY 130 CO -0.16 0.47 -0.49 0.23 0.00 0.00 0.00 176.54 176.58 1u6m h SER 131 N 1.25 0.82 -0.32 0.19 0.87 -1.90 -1.71 113.55 112.75 1u6m h SER 131 Ca 0.34 -0.56 0.02 0.00 -1.23 0.00 0.00 61.79 60.36 1u6m h SER 131 Cb -0.13 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.57 1u6m h SER 131 CO -0.08 1.23 0.18 0.11 -0.53 0.00 0.00 176.83 177.74 1u6m h LYS 132 N 0.45 0.36 -0.91 2.24 1.79 -0.21 -2.54 116.57 117.74 1u6m h LYS 132 Ca 0.00 -0.02 0.09 0.00 -2.18 0.00 0.00 60.65 58.54 1u6m h LYS 132 Cb 1.10 -0.08 -0.07 0.00 -1.58 0.00 0.00 32.23 31.60 1u6m h LYS 132 CO 0.11 0.24 0.56 -0.07 -1.08 0.00 0.00 179.45 179.20 1u6m h LEU 133 N 0.37 0.84 -1.05 2.94 3.38 -0.53 -2.15 115.31 119.10 1u6m h LEU 133 Ca 0.13 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.17 1u6m h LEU 133 Cb 0.01 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 1u6m h LEU 133 CO -0.07 0.49 0.64 0.25 0.09 0.00 0.00 178.44 179.84 1u6m h LEU 134 N 0.95 1.05 -1.71 1.67 5.85 -1.02 -1.98 115.31 120.12 1u6m h LEU 134 Ca 0.43 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.12 1u6m h LEU 134 Cb 0.33 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 1u6m h LEU 134 CO -0.23 0.71 -0.10 0.44 -0.34 0.00 0.00 178.44 178.93 1u6m h ASP 135 N 1.21 0.00 0.43 1.25 3.32 -0.98 -2.78 116.42 118.86 1u6m h ASP 135 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1u6m h ASP 135 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1u6m h ASP 135 CO -0.12 0.10 -0.14 0.00 -1.72 0.00 0.00 179.24 177.36 1u6m n ALA 136 N -2.19 2.80 0.05 3.45 0.00 -0.75 -4.28 120.51 119.60 1u6m n ALA 136 Ca -0.01 -0.26 -0.18 0.00 0.00 0.00 0.00 53.44 52.99 1u6m n ALA 136 Cb 0.29 -1.32 -0.14 0.00 0.00 0.00 0.00 19.45 18.27 1u6m n ALA 136 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1u6m h LEU 137 N 0.50 0.40 -1.10 0.00 3.38 -1.51 -3.34 115.31 113.64 1u6m h LEU 137 Ca 0.00 -0.60 0.19 0.00 0.09 0.00 0.00 57.88 57.55 1u6m h LEU 137 Cb 0.39 -0.13 -0.10 0.00 0.09 0.00 0.00 40.66 40.91 1u6m h LEU 137 CO 0.00 1.51 0.61 -0.65 0.09 0.00 0.00 178.44 180.00 1u6m h PRO 138 N 0.07 0.70 -0.03 1.13 0.11 -1.74 -0.21 132.00 132.04 1u6m h PRO 138 Ca -0.28 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.64 1u6m h PRO 138 Cb 2.03 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.97 1u6m h PRO 138 CO 0.15 0.47 -0.66 1.05 -0.21 0.00 0.00 178.00 178.80 1u6m h GLU 139 N 0.72 0.11 -0.14 1.05 4.11 -1.87 -1.84 114.58 116.73 1u6m h GLU 139 Ca 0.56 -0.09 -0.00 0.00 0.07 0.00 0.00 59.36 59.89 1u6m h GLU 139 Cb 0.92 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1u6m h GLU 139 CO -0.34 0.73 0.08 0.28 0.07 0.00 0.00 179.01 179.83 1u6m h VAL 140 N 0.08 1.11 -0.42 -1.06 2.07 -1.39 0.58 116.25 117.21 1u6m h VAL 140 Ca -0.01 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.25 1u6m h VAL 140 Cb 1.18 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 1u6m h VAL 140 CO 0.09 0.10 0.21 0.00 0.02 0.00 0.00 177.57 177.99 1u6m h ALA 141 N 0.96 0.53 -0.23 1.67 0.00 -0.96 -2.81 119.26 118.42 1u6m h ALA 141 Ca 0.05 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1u6m h ALA 141 Cb 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1u6m h ALA 141 CO -0.01 -0.14 -0.07 -0.22 0.00 0.00 0.00 179.25 178.81 1u6m h LYS 142 N 0.43 0.46 0.00 0.00 3.64 -1.26 -2.33 116.57 117.51 1u6m h LYS 142 Ca 0.18 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1u6m h LYS 142 Cb 0.09 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1u6m h LYS 142 CO -0.13 0.71 0.12 0.00 -2.27 0.00 0.00 179.45 177.88 1u6m h ALA 143 N 0.74 1.11 -0.23 5.00 0.00 -0.73 0.13 119.26 125.28 1u6m h ALA 143 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1u6m h ALA 143 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1u6m h ALA 143 CO 0.03 -0.11 0.00 -1.13 0.00 0.00 0.00 179.25 178.04 1u6m n SER 144 N -2.87 2.34 -0.88 0.00 3.41 -0.90 -4.92 113.62 109.80 1u6m n SER 144 Ca -0.02 -1.82 -0.11 0.00 -0.26 0.00 0.00 58.87 56.66 1u6m n SER 144 Cb 0.17 -0.15 -0.04 0.00 -0.26 0.00 0.00 64.21 63.93 1u6m n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u6m n GLY 145 N 1.27 1.15 3.89 5.00 0.00 0.44 -5.02 105.19 111.92 1u6m n GLY 145 Ca 0.17 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 1u6m n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u6m s LYS 146 N -3.05 3.72 0.11 1.61 -0.14 -1.05 -5.00 119.74 115.94 1u6m s LYS 146 Ca 0.00 0.25 0.14 0.00 -1.36 0.00 0.00 55.97 55.00 1u6m s LYS 146 Cb 0.00 -2.52 -0.12 0.00 -1.68 0.00 0.00 37.83 33.51 1u6m s LYS 146 CO 0.00 0.11 1.04 -0.56 -0.76 0.00 0.00 175.35 175.17 1u6m h GLN 147 N 1.56 0.00 -5.66 1.68 3.07 -1.87 -3.41 115.11 110.48 1u6m h GLN 147 Ca -0.47 0.00 -0.47 0.00 0.09 0.00 0.00 58.65 57.80 1u6m h GLN 147 Cb 1.19 0.00 -0.15 0.00 0.08 0.00 0.00 27.48 28.59 1u6m h GLN 147 CO 0.65 0.51 -0.75 0.00 0.09 0.00 0.00 178.83 179.34 1u6m s ALA 148 N -2.83 2.01 -0.16 0.06 0.00 -1.10 -1.05 121.76 118.70 1u6m s ALA 148 Ca -0.01 -1.61 -0.02 0.00 0.00 0.00 0.00 51.96 50.32 1u6m s ALA 148 Cb 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 1u6m s ALA 148 CO 0.80 0.12 -0.07 -1.17 0.00 0.00 0.00 175.76 175.43 1u6m s LEU 149 N -3.13 3.00 0.23 0.00 0.20 0.55 -1.47 118.68 118.07 1u6m s LEU 149 Ca 0.20 -0.24 0.10 0.00 0.69 0.00 0.00 54.13 54.88 1u6m s LEU 149 Cb -0.02 -1.71 -0.05 0.00 -0.43 0.00 0.00 46.19 43.98 1u6m s LEU 149 CO 0.07 0.14 -0.18 -0.83 -0.29 0.00 0.00 176.35 175.26 1u6m s GLY 150 N 0.52 1.64 0.26 7.98 0.00 0.32 -0.85 107.32 117.19 1u6m s GLY 150 Ca -0.05 -1.73 -0.21 0.00 0.00 0.00 0.00 44.72 42.72 1u6m s GLY 150 CO 0.03 -1.82 0.70 0.48 0.00 0.00 0.00 173.10 172.49 1u6m s LEU 151 N -3.28 -0.31 -0.11 0.66 0.05 -0.62 -0.87 118.68 114.20 1u6m s LEU 151 Ca 0.25 -0.51 0.03 0.00 0.05 0.00 0.00 54.13 53.95 1u6m s LEU 151 Cb -0.04 2.70 0.01 0.00 -2.05 0.00 0.00 46.19 46.81 1u6m s LEU 151 CO 0.10 -1.29 -0.21 0.20 -0.55 0.00 0.00 176.35 174.60 1u6m s ASN 152 N -2.89 2.91 -0.08 1.48 0.01 -1.26 -0.52 114.94 114.59 1u6m s ASN 152 Ca 0.09 -0.54 0.04 0.00 -0.71 0.00 0.00 52.86 51.75 1u6m s ASN 152 Cb -0.05 -1.33 -0.01 0.00 0.41 0.00 0.00 41.25 40.26 1u6m s ASN 152 CO 0.04 0.11 -0.21 -0.69 -1.51 0.00 0.00 177.10 174.84 1u6m s VAL 153 N 0.58 2.36 0.39 1.60 1.01 -0.50 -4.96 120.40 120.87 1u6m s VAL 153 Ca -0.14 -0.94 -0.28 0.00 0.00 0.00 0.00 61.98 60.63 1u6m s VAL 153 Cb -0.17 -1.91 -0.10 0.00 0.00 0.00 0.00 36.38 34.20 1u6m s VAL 153 CO 0.04 0.56 1.47 -0.62 0.00 0.00 0.00 175.10 176.55 1u6m s ASP 154 N 0.02 6.29 0.34 3.32 -1.08 -1.26 -0.98 116.67 123.32 1u6m s ASP 154 Ca -0.08 3.01 0.13 0.00 -0.52 0.00 0.00 52.55 55.09 1u6m s ASP 154 Cb -0.15 -2.67 0.97 0.00 -1.46 0.00 0.00 42.92 39.61 1u6m s ASP 154 CO 0.05 -0.90 1.73 -0.26 0.52 0.00 0.00 175.17 176.31 1u6m h PHE 155 N 2.91 0.90 -0.04 -5.34 -1.00 -1.75 -0.50 116.94 112.13 1u6m h PHE 155 Ca -0.51 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.30 1u6m h PHE 155 Cb 1.24 -0.26 0.00 0.00 3.61 0.00 0.00 35.95 40.54 1u6m h PHE 155 CO 0.53 0.04 0.00 -0.25 -1.61 0.00 0.00 178.31 177.02 1u6m n ASP 156 N -4.82 0.23 -3.03 2.17 8.00 -1.26 -4.17 116.55 113.66 1u6m n ASP 156 Ca 0.27 -1.85 -0.27 0.00 0.71 0.00 0.00 54.79 53.65 1u6m n ASP 156 Cb 0.81 -0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.84 1u6m n ASP 156 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1u6m n ASN 157 N -0.45 4.27 0.31 -2.24 2.85 -0.20 -4.92 115.26 114.88 1u6m n ASN 157 Ca 0.05 -3.63 0.20 0.00 -0.11 0.00 0.00 54.58 51.09 1u6m n ASN 157 Cb 0.05 -0.58 0.94 0.00 1.24 0.00 0.00 39.78 41.43 1u6m n ASN 157 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1u6m h PRO 158 N 3.19 0.00 -0.00 1.20 0.13 -1.78 -2.34 132.00 132.40 1u6m h PRO 158 Ca 0.14 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 65.03 1u6m h PRO 158 Cb 0.54 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.68 1u6m h PRO 158 CO 0.81 0.00 -0.97 0.78 -0.23 0.00 0.00 178.00 178.40 1u6m h GLY 159 N 1.09 0.58 0.73 1.56 0.00 -1.95 -0.06 103.07 105.01 1u6m h GLY 159 Ca -0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 47.33 46.29 1u6m h GLY 159 CO 0.00 0.89 -0.03 0.00 0.00 0.00 0.00 176.54 177.40 1u6m h ALA 160 N 0.62 0.17 -0.68 3.60 0.00 -1.88 -1.11 119.26 119.99 1u6m h ALA 160 Ca -0.10 -0.23 0.13 0.00 0.00 0.00 0.00 54.91 54.72 1u6m h ALA 160 Cb 1.61 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 19.26 1u6m h ALA 160 CO 0.18 -0.09 0.17 -0.09 0.00 0.00 0.00 179.25 179.42 1u6m h ARG 161 N -0.08 0.29 -0.49 0.00 2.43 -1.44 0.21 114.38 115.28 1u6m h ARG 161 Ca 0.03 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.06 1u6m h ARG 161 Cb 0.46 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1u6m h ARG 161 CO 0.01 0.19 -0.18 -0.22 -1.51 0.00 0.00 179.97 178.26 1u6m h LYS 162 N 0.30 0.98 0.10 0.20 3.64 -0.87 0.38 116.57 121.30 1u6m h LYS 162 Ca 0.37 -0.40 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1u6m h LYS 162 Cb 0.58 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.31 1u6m h LYS 162 CO -0.44 1.07 -0.39 1.25 -2.27 0.00 0.00 179.45 178.67 1u6m h LEU 163 N 0.86 -1.15 -0.25 5.20 6.46 -0.06 -0.33 115.31 126.04 1u6m h LEU 163 Ca 0.12 0.13 0.03 0.00 -0.12 0.00 0.00 57.88 58.04 1u6m h LEU 163 Cb 0.75 0.44 -0.03 0.00 -0.73 0.00 0.00 40.66 41.08 1u6m h LEU 163 CO 0.06 -0.46 0.08 1.88 -0.62 0.00 0.00 178.44 179.37 1u6m h TYR 164 N -0.61 0.13 -0.99 1.25 0.99 -0.50 -0.06 116.97 117.18 1u6m h TYR 164 Ca 0.03 0.01 0.18 0.00 2.00 0.00 0.00 58.73 60.95 1u6m h TYR 164 Cb 0.65 -0.02 -0.10 0.00 1.00 0.00 0.00 36.73 38.26 1u6m h TYR 164 CO -0.35 0.06 0.61 0.00 -0.00 0.00 0.00 178.16 178.48 1u6m h ALA 165 N 1.16 1.75 0.00 3.88 0.00 -0.08 -1.16 119.26 124.81 1u6m h ALA 165 Ca 0.11 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1u6m h ALA 165 Cb 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1u6m h ALA 165 CO -0.12 -0.08 -0.16 0.66 0.00 0.00 0.00 179.25 179.55 1u6m h SER 166 N 0.74 0.00 -0.43 0.00 4.64 0.80 -2.57 113.55 116.73 1u6m h SER 166 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 1u6m h SER 166 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1u6m h SER 166 CO -0.33 0.16 0.00 0.29 -0.87 0.00 0.00 176.83 176.08 1u6m n LYS 167 N -4.19 2.57 -0.20 4.77 5.02 -0.47 -4.92 118.16 120.73 1u6m n LYS 167 Ca -0.02 -1.79 0.00 0.00 -2.02 0.00 0.00 58.31 54.48 1u6m n LYS 167 Cb 0.23 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1u6m n LYS 167 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u6m n GLY 168 N 0.95 0.60 3.76 0.72 0.00 -0.97 -5.07 105.19 105.18 1u6m n GLY 168 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1u6m n GLY 168 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u6m s PHE 169 N -2.41 3.43 0.15 1.61 0.40 -0.99 -4.54 117.98 115.63 1u6m s PHE 169 Ca 0.00 1.59 0.11 0.00 -0.60 0.00 0.00 56.93 58.03 1u6m s PHE 169 Cb 0.00 -3.40 -0.04 0.00 0.51 0.00 0.00 43.02 40.09 1u6m s PHE 169 CO 0.00 -0.96 -0.23 0.15 0.70 0.00 0.00 175.22 174.88 1u6m s LYS 170 N -1.34 1.55 0.32 0.44 -0.14 0.13 -4.17 119.74 116.51 1u6m s LYS 170 Ca 0.47 -1.37 -0.29 0.00 -1.36 0.00 0.00 55.97 53.42 1u6m s LYS 170 Cb -0.34 -1.94 -0.10 0.00 -1.68 0.00 0.00 37.83 33.77 1u6m s LYS 170 CO 0.43 0.44 1.34 -0.51 -0.76 0.00 0.00 175.35 176.29 1u6m s ASP 171 N -2.31 6.73 0.00 2.83 1.01 -1.26 -0.98 116.67 122.69 1u6m s ASP 171 Ca 0.17 2.70 0.00 0.00 0.71 0.00 0.00 52.55 56.13 1u6m s ASP 171 Cb -0.09 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.19 1u6m s ASP 171 CO 0.09 -0.58 0.00 0.52 0.21 0.00 0.00 175.17 175.40 1u6m n VAL 172 N 1.10 0.00 -3.16 -1.27 0.31 -0.36 -4.87 118.33 110.08 1u6m n VAL 172 Ca 0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1u6m n VAL 172 Cb 0.41 -0.88 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 1u6m n VAL 172 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1u6m n THR 173 N -2.68 0.00 -4.38 2.52 -1.04 -1.17 -5.02 114.28 102.51 1u6m n THR 173 Ca 0.00 -0.09 -0.20 0.00 -2.04 0.00 0.00 64.05 61.72 1u6m n THR 173 Cb 0.48 0.09 -0.14 0.00 -1.82 0.00 0.00 70.33 68.95 1u6m n THR 173 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1u6m s THR 174 N -2.83 1.06 0.07 12.58 2.01 -1.26 -1.53 115.64 125.74 1u6m s THR 174 Ca 0.02 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.13 1u6m s THR 174 Cb -0.00 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 1u6m s THR 174 CO 0.01 0.04 -0.08 -0.04 -0.69 0.00 0.00 174.62 173.86 1u6m s MET 175 N -0.99 0.67 -0.18 4.92 -1.94 -0.36 -4.91 119.30 116.51 1u6m s MET 175 Ca 0.02 -0.99 -0.03 0.00 -1.71 0.00 0.00 55.69 52.98 1u6m s MET 175 Cb -0.07 -0.32 -0.01 0.00 2.01 0.00 0.00 34.83 36.43 1u6m s MET 175 CO 0.01 0.04 -0.06 0.99 -0.01 0.00 0.00 175.02 175.99 1u6m s THR 176 N -2.17 3.44 -0.04 2.05 2.01 -1.26 -0.90 115.64 118.77 1u6m s THR 176 Ca -0.01 -0.49 -0.00 0.00 0.31 0.00 0.00 61.69 61.49 1u6m s THR 176 Cb -0.05 -2.52 0.03 0.00 0.01 0.00 0.00 72.50 69.97 1u6m s THR 176 CO -0.01 0.46 0.02 -0.63 -0.69 0.00 0.00 174.62 173.77 1u6m s ILE 177 N 0.95 0.13 -1.35 1.82 1.01 -0.31 -4.78 121.20 118.68 1u6m s ILE 177 Ca -0.01 0.18 -0.10 0.00 0.00 0.00 0.00 60.65 60.72 1u6m s ILE 177 Cb -0.15 -0.28 0.07 0.00 0.01 0.00 0.00 42.46 42.12 1u6m s ILE 177 CO 0.01 0.17 0.55 -1.20 0.00 0.00 0.00 174.94 174.46 1u6m n SER 178 N 4.59 -3.96 -3.18 3.58 7.64 -1.26 -1.42 113.62 119.61 1u6m n SER 178 Ca -0.18 -0.44 -0.16 0.00 1.01 0.00 0.00 58.87 59.10 1u6m n SER 178 Cb 0.50 -3.26 0.08 0.00 -1.01 0.00 0.00 64.21 60.52 1u6m n SER 178 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u6m n GLY 179 N -1.25 -0.29 3.01 0.23 0.00 -1.26 -5.04 105.19 100.59 1u6m n GLY 179 Ca -0.01 0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1u6m n GLY 179 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u6m s HIS 180 N -3.32 0.07 0.16 1.61 4.02 -0.51 -5.16 115.29 112.17 1u6m s HIS 180 Ca 0.05 -0.15 -0.11 0.00 1.02 0.00 0.00 55.06 55.87 1u6m s HIS 180 Cb -0.02 -0.07 -0.07 0.00 -1.02 0.00 0.00 32.58 31.40 1u6m s HIS 180 CO 0.65 -0.16 0.51 -0.51 1.02 0.00 0.00 174.74 176.25 1u6m s LEU 181 N -0.90 4.28 -0.02 0.89 1.43 -1.26 -1.16 118.68 121.94 1u6m s LEU 181 Ca -0.10 0.94 -0.02 0.00 -1.03 0.00 0.00 54.13 53.92 1u6m s LEU 181 Cb -0.06 -3.36 0.01 0.00 0.03 0.00 0.00 46.19 42.81 1u6m s LEU 181 CO 0.00 0.05 0.07 -0.31 0.23 0.00 0.00 176.35 176.39 1u6m s TYR 182 N -1.58 -0.06 -0.19 0.29 1.51 -0.07 -2.00 117.35 115.25 1u6m s TYR 182 Ca 0.40 0.15 -0.23 0.00 -1.01 0.00 0.00 57.07 56.38 1u6m s TYR 182 Cb -0.13 0.02 -0.02 0.00 -0.11 0.00 0.00 41.96 41.71 1u6m s TYR 182 CO 0.20 -0.05 0.74 -0.80 -1.11 0.00 0.00 175.55 174.53 1u6m s ASN 183 N -0.07 6.82 -0.32 2.29 0.01 -0.15 -1.23 114.94 122.30 1u6m s ASN 183 Ca -0.01 1.01 -0.20 0.00 -0.71 0.00 0.00 52.86 52.95 1u6m s ASN 183 Cb -0.01 -2.40 -0.01 0.00 0.41 0.00 0.00 41.25 39.24 1u6m s ASN 183 CO 0.00 -0.35 0.61 -2.28 -1.51 0.00 0.00 177.10 173.57 1u6m s HIS 184 N 2.08 3.20 0.18 2.20 5.65 -0.58 -1.41 115.29 126.60 1u6m s HIS 184 Ca 0.34 0.50 0.09 0.00 0.25 0.00 0.00 55.06 56.23 1u6m s HIS 184 Cb -0.16 -3.00 -0.04 0.00 -1.18 0.00 0.00 32.58 28.20 1u6m s HIS 184 CO 0.11 -0.50 -0.11 -1.64 -0.65 0.00 0.00 174.74 171.95 1u6m s MET 185 N 2.59 2.01 0.09 2.88 1.00 0.33 -1.22 119.30 126.97 1u6m s MET 185 Ca 0.24 -1.28 0.03 0.00 0.00 0.00 0.00 55.69 54.68 1u6m s MET 185 Cb -0.15 -2.14 -0.03 0.00 0.00 0.00 0.00 34.83 32.51 1u6m s MET 185 CO 0.12 0.43 -0.09 -0.65 0.00 0.00 0.00 175.02 174.84 1u6m s GLN 186 N -2.78 0.79 -0.08 2.03 -0.21 -0.15 -1.59 119.66 117.66 1u6m s GLN 186 Ca 0.24 -1.12 0.03 0.00 0.02 0.00 0.00 55.36 54.53 1u6m s GLN 186 Cb -0.09 -0.43 0.01 0.00 1.00 0.00 0.00 33.01 33.50 1u6m s GLN 186 CO 0.15 0.06 -0.16 0.21 -2.12 0.00 0.00 175.29 173.43 1u6m s LYS 187 N -2.76 2.11 0.18 2.91 2.20 -0.03 0.17 119.74 124.52 1u6m s LYS 187 Ca 0.04 -0.55 -0.30 0.00 -0.36 0.00 0.00 55.97 54.80 1u6m s LYS 187 Cb -0.03 -1.69 -0.08 0.00 -1.51 0.00 0.00 37.83 34.52 1u6m s LYS 187 CO -0.01 0.06 1.20 -2.00 -0.36 0.00 0.00 175.35 174.24 1u6m s GLU 188 N 0.61 4.48 0.00 4.03 -6.30 -1.26 -0.33 118.70 119.94 1u6m s GLU 188 Ca -0.15 1.88 0.00 0.00 -2.50 0.00 0.00 54.97 54.20 1u6m s GLU 188 Cb -0.16 -3.24 0.00 0.00 0.00 0.00 0.00 34.13 30.72 1u6m s GLU 188 CO 0.05 -0.10 0.00 1.33 0.02 0.00 0.00 175.26 176.55 1u6m n VAL 189 N 2.58 0.00 0.00 3.70 0.24 -0.21 -4.91 118.33 119.73 1u6m n VAL 189 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 1u6m n VAL 189 Cb 0.45 -0.41 0.00 0.00 -1.47 0.00 0.00 33.84 32.40 1u6m n VAL 189 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07