#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h5h n SER 1 N 0.00 0.59 -4.93 7.83 2.88 -1.26 -4.10 113.62 114.64 3h5h n SER 1 Ca 0.00 0.28 -0.24 0.00 -1.33 0.00 0.00 58.87 57.58 3h5h n SER 1 Cb 0.00 0.36 0.06 0.00 -0.75 0.00 0.00 64.21 63.88 3h5h n SER 1 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3h5h s GLU 2 N -2.68 2.27 -0.36 -1.46 2.02 -1.26 -4.79 118.70 112.44 3h5h s GLU 2 Ca -0.06 -0.47 -0.39 0.00 0.02 0.00 0.00 54.97 54.08 3h5h s GLU 2 Cb 0.08 -2.28 -0.14 0.00 0.10 0.00 0.00 34.13 31.89 3h5h s GLU 2 CO 0.83 -1.08 2.05 0.00 0.02 0.00 0.00 175.26 177.07 3h5h n ALA 3 N -2.73 0.52 0.00 5.21 0.00 -1.26 -1.02 120.51 121.23 3h5h n ALA 3 Ca 0.08 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3h5h n ALA 3 Cb 0.60 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.70 3h5h n ALA 3 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3h5h n PHE 4 N 8.05 0.00 -2.92 0.00 1.16 -1.26 -4.90 117.46 117.59 3h5h n PHE 4 Ca 0.40 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.77 3h5h n PHE 4 Cb 0.14 0.00 0.03 0.00 -1.61 0.00 0.00 39.48 38.04 3h5h n PHE 4 CO 0.00 0.00 0.00 0.72 -1.87 0.00 0.00 176.76 175.61 3h5h n HIS 5 N 0.00 -1.78 -4.24 2.97 8.25 -0.18 -4.71 115.22 115.52 3h5h n HIS 5 Ca 0.00 0.45 -0.17 0.00 -0.26 0.00 0.00 57.72 57.74 3h5h n HIS 5 Cb 0.00 -4.28 -0.13 0.00 1.12 0.00 0.00 29.99 26.69 3h5h n HIS 5 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3h5h s THR 6 N -3.13 0.75 -0.02 1.59 2.01 -1.26 -0.40 115.64 115.17 3h5h s THR 6 Ca 0.26 -0.75 0.03 0.00 0.31 0.00 0.00 61.69 61.54 3h5h s THR 6 Cb -0.12 -0.70 0.00 0.00 0.01 0.00 0.00 72.50 71.70 3h5h s THR 6 CO 0.32 -0.03 -0.09 -2.28 -0.69 0.00 0.00 174.62 171.85 3h5h s HIS 7 N -0.72 0.96 0.03 4.92 2.46 -0.91 -3.08 115.29 118.95 3h5h s HIS 7 Ca -0.01 -0.23 0.08 0.00 0.47 0.00 0.00 55.06 55.37 3h5h s HIS 7 Cb -0.06 -0.67 -0.03 0.00 -0.13 0.00 0.00 32.58 31.69 3h5h s HIS 7 CO 0.00 -0.09 -0.24 -1.12 -2.47 0.00 0.00 174.74 170.82 3h5h s SER 8 N 0.14 2.92 -0.01 9.88 0.01 -1.26 -0.98 113.70 124.40 3h5h s SER 8 Ca -0.02 -0.54 -0.29 0.00 1.31 0.00 0.00 55.95 56.41 3h5h s SER 8 Cb -0.08 -0.27 0.10 0.00 0.21 0.00 0.00 66.02 65.98 3h5h s SER 8 CO 0.00 0.24 0.97 -0.83 0.41 0.00 0.00 173.24 174.04 3h5h s GLY 9 N -1.06 -0.40 0.18 3.44 0.00 -0.95 -4.98 107.32 103.55 3h5h s GLY 9 Ca 0.10 0.94 -0.32 0.00 0.00 0.00 0.00 44.72 45.45 3h5h s GLY 9 CO 0.01 0.30 1.75 -0.42 0.00 0.00 0.00 173.10 174.74 3h5h s ILE 10 N -3.00 2.19 0.10 0.90 1.01 -1.26 -0.84 121.20 120.30 3h5h s ILE 10 Ca 0.07 0.04 -0.23 0.00 0.00 0.00 0.00 60.65 60.53 3h5h s ILE 10 Cb -0.01 -3.03 -0.07 0.00 0.01 0.00 0.00 42.46 39.37 3h5h s ILE 10 CO -0.06 0.00 0.71 -0.83 0.00 0.00 0.00 174.94 174.76 3h5h s GLY 11 N 1.63 2.81 -0.23 6.18 0.00 -1.03 -1.86 107.32 114.81 3h5h s GLY 11 Ca 0.76 0.24 -0.02 0.00 0.00 0.00 0.00 44.72 45.70 3h5h s GLY 11 CO 0.33 0.81 -0.07 0.14 0.00 0.00 0.00 173.10 174.31 3h5h s VAL 12 N -0.83 2.94 -0.17 1.40 1.01 0.14 -4.76 120.40 120.13 3h5h s VAL 12 Ca 0.34 -0.86 -0.28 0.00 0.00 0.00 0.00 61.98 61.18 3h5h s VAL 12 Cb -0.21 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 3h5h s VAL 12 CO 0.23 0.30 0.95 -2.16 0.00 0.00 0.00 175.10 174.42 3h5h s PRO 13 N 1.37 4.32 -0.38 2.72 0.04 -1.26 -1.03 135.00 140.78 3h5h s PRO 13 Ca 0.02 1.24 0.02 0.00 0.04 0.00 0.00 61.00 62.32 3h5h s PRO 13 Cb -0.16 -3.59 0.12 0.00 0.04 0.00 0.00 34.50 30.91 3h5h s PRO 13 CO -0.05 -0.42 0.15 -1.17 0.04 0.00 0.00 177.00 175.55 3h5h s LEU 14 N 2.45 3.05 -1.49 -3.56 2.96 0.70 -4.93 118.68 117.85 3h5h s LEU 14 Ca 0.43 -2.21 -0.12 0.00 -0.22 0.00 0.00 54.13 52.01 3h5h s LEU 14 Cb -0.17 -1.13 0.02 0.00 0.50 0.00 0.00 46.19 45.40 3h5h s LEU 14 CO 0.12 -0.34 2.44 0.54 -1.32 0.00 0.00 176.35 177.80 3h5h n ARG 15 N 4.11 3.31 -4.35 1.98 1.74 -1.26 -2.74 116.66 119.45 3h5h n ARG 15 Ca 0.04 -2.61 -0.23 0.00 -0.77 0.00 0.00 57.85 54.28 3h5h n ARG 15 Cb 0.38 -3.06 -0.16 0.00 -1.02 0.00 0.00 32.46 28.60 3h5h n ARG 15 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3h5h s ARG 16 N 2.33 1.28 0.30 5.56 1.81 -1.26 -4.92 118.95 124.06 3h5h s ARG 16 Ca 0.54 -0.26 -0.01 0.00 -1.72 0.00 0.00 55.73 54.28 3h5h s ARG 16 Cb 0.15 -1.15 -0.04 0.00 -0.45 0.00 0.00 34.95 33.46 3h5h s ARG 16 CO -0.07 -0.04 0.52 -1.12 -0.68 0.00 0.00 175.30 173.90 3h5h s SER 17 N 0.85 6.35 -1.56 0.23 0.01 -1.26 -1.97 113.70 116.35 3h5h s SER 17 Ca -0.12 0.51 -0.12 0.00 1.31 0.00 0.00 55.95 57.53 3h5h s SER 17 Cb -0.15 -2.06 0.09 0.00 0.21 0.00 0.00 66.02 64.12 3h5h s SER 17 CO 0.01 -0.22 0.79 0.59 0.41 0.00 0.00 173.24 174.83 3h5h n ASN 18 N -1.33 -3.18 -4.64 2.44 3.02 -0.22 -4.84 115.26 106.51 3h5h n ASN 18 Ca -0.04 -0.91 -0.43 0.00 -0.03 0.00 0.00 54.58 53.18 3h5h n ASN 18 Cb 0.55 -3.33 -0.03 0.00 -0.61 0.00 0.00 39.78 36.36 3h5h n ASN 18 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3h5h s VAL 19 N -3.44 3.58 0.31 2.41 1.01 -1.20 -4.82 120.40 118.26 3h5h s VAL 19 Ca 0.53 0.67 0.07 0.00 0.00 0.00 0.00 61.98 63.24 3h5h s VAL 19 Cb -0.28 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 3h5h s VAL 19 CO 0.88 -0.19 0.36 1.51 0.00 0.00 0.00 175.10 177.65 3h5h s ASP 20 N 4.31 5.70 0.27 3.32 -4.77 -1.26 -0.36 116.67 123.87 3h5h s ASP 20 Ca 0.75 -0.29 -0.10 0.00 -3.30 0.00 0.00 52.55 49.61 3h5h s ASP 20 Cb -0.29 -1.22 0.41 0.00 -1.09 0.00 0.00 42.92 40.73 3h5h s ASP 20 CO 0.30 -0.32 1.56 0.74 0.70 0.00 0.00 175.17 178.16 3h5h h THR 21 N 1.13 0.01 -0.19 2.11 2.02 -1.77 0.11 112.91 116.33 3h5h h THR 21 Ca -0.46 0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.77 3h5h h THR 21 Cb 1.25 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 3h5h h THR 21 CO 0.57 0.00 0.14 0.44 0.37 0.00 0.00 175.52 177.04 3h5h h ASP 22 N -0.00 0.00 0.21 4.18 3.32 -1.90 0.16 116.42 122.39 3h5h h ASP 22 Ca 0.45 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 57.22 3h5h h ASP 22 Cb 0.70 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.28 3h5h h ASP 22 CO -1.01 0.00 -1.19 1.56 -1.72 0.00 0.00 179.24 176.88 3h5h h GLN 23 N 0.00 0.44 -0.05 3.56 4.20 -1.18 -2.67 115.11 119.41 3h5h h GLN 23 Ca 0.09 -0.75 -0.00 0.00 0.06 0.00 0.00 58.65 58.05 3h5h h GLN 23 Cb 0.37 0.28 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 3h5h h GLN 23 CO -0.00 1.36 0.03 0.82 -0.67 0.00 0.00 178.83 180.37 3h5h h ILE 24 N -0.07 1.08 -2.05 2.54 2.04 -0.88 -3.27 117.51 116.89 3h5h h ILE 24 Ca -0.21 -0.22 -0.30 0.00 1.00 0.00 0.00 64.86 65.13 3h5h h ILE 24 Cb 1.94 1.13 -0.32 0.00 -0.74 0.00 0.00 36.82 38.83 3h5h h ILE 24 CO 0.22 0.07 -0.61 -0.51 0.00 0.00 0.00 178.15 177.32 3h5h s ILE 25 N -5.86 -0.45 0.38 -0.67 1.10 0.51 -0.56 121.20 115.65 3h5h s ILE 25 Ca -0.13 -0.44 -0.27 0.00 -0.51 0.00 0.00 60.65 59.30 3h5h s ILE 25 Cb 0.06 -0.98 -0.11 0.00 0.15 0.00 0.00 42.46 41.58 3h5h s ILE 25 CO 0.67 -0.42 1.33 -2.65 -2.11 0.00 0.00 174.94 171.76 3h5h n PRO 26 N 5.32 2.20 -0.28 3.50 -0.02 -1.01 -4.38 135.00 140.34 3h5h n PRO 26 Ca -0.02 0.77 0.13 0.00 -2.02 0.00 0.00 63.50 62.37 3h5h n PRO 26 Cb 0.47 -2.43 0.40 0.00 -0.02 0.00 0.00 33.50 31.91 3h5h n PRO 26 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h5h h ALA 27 N 2.50 1.88 -0.84 3.55 0.00 -1.93 -0.79 119.26 123.64 3h5h h ALA 27 Ca -0.48 0.02 0.24 0.00 0.00 0.00 0.00 54.91 54.70 3h5h h ALA 27 Cb 1.28 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 3h5h h ALA 27 CO 0.62 -0.15 0.65 -0.39 0.00 0.00 0.00 179.25 179.97 3h5h h VAL 28 N 0.65 0.49 0.00 0.00 -1.51 -1.99 1.08 116.25 114.96 3h5h h VAL 28 Ca 0.47 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.94 3h5h h VAL 28 Cb 0.83 0.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.53 3h5h h VAL 28 CO -0.22 0.00 -0.03 0.49 -1.23 0.00 0.00 177.57 176.58 3h5h n PHE 29 N -4.12 0.33 0.05 5.19 3.72 -0.30 -3.64 117.46 118.68 3h5h n PHE 29 Ca 0.17 0.09 0.05 0.00 -0.05 0.00 0.00 57.45 57.72 3h5h n PHE 29 Cb 0.94 -0.65 0.11 0.00 -0.94 0.00 0.00 39.48 38.95 3h5h n PHE 29 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3h5h n LEU 30 N -1.77 2.56 -0.10 4.37 4.77 0.37 -4.71 117.00 122.48 3h5h n LEU 30 Ca 0.06 -1.65 -0.11 0.00 -0.03 0.00 0.00 56.01 54.29 3h5h n LEU 30 Cb 0.37 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 3h5h n LEU 30 CO 0.29 0.60 0.80 0.50 -1.33 0.00 0.00 177.39 178.24 3h5h h LYS 31 N 2.06 0.52 0.00 3.23 3.64 -1.46 -3.38 116.57 121.18 3h5h h LYS 31 Ca 0.00 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3h5h h LYS 31 Cb 0.63 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3h5h h LYS 31 CO 0.00 0.64 0.00 0.54 -2.27 0.00 0.00 179.45 178.36 3h5h n ARG 32 N -4.60 0.00 0.06 1.90 5.12 -1.26 -5.07 116.66 112.81 3h5h n ARG 32 Ca -0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 3h5h n ARG 32 Cb 0.23 -0.09 0.00 0.00 -1.16 0.00 0.00 32.46 31.44 3h5h n ARG 32 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 3h5h n VAL 33 N 0.00 0.00 -0.69 1.55 3.14 -1.26 -5.18 118.33 115.89 3h5h n VAL 33 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3h5h n VAL 33 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3h5h n VAL 33 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 3h5h n THR 34 N -2.58 0.00 -0.64 1.55 -2.24 -1.26 -4.96 114.28 104.16 3h5h n THR 34 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3h5h n THR 34 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3h5h n THR 34 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3h5h n ARG 35 N -1.83 0.22 -4.39 -0.78 1.85 -1.26 -5.09 116.66 105.39 3h5h n ARG 35 Ca 0.00 -0.46 -0.20 0.00 -1.00 0.00 0.00 57.85 56.20 3h5h n ARG 35 Cb 0.00 -0.68 -0.10 0.00 -1.05 0.00 0.00 32.46 30.63 3h5h n ARG 35 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3h5h s THR 36 N -0.15 1.43 -1.12 8.89 2.01 -1.26 -4.91 115.64 120.53 3h5h s THR 36 Ca 0.00 -2.09 -0.06 0.00 0.31 0.00 0.00 61.69 59.85 3h5h s THR 36 Cb 0.00 -2.39 0.01 0.00 0.01 0.00 0.00 72.50 70.13 3h5h s THR 36 CO 0.00 -0.33 0.97 0.61 -0.69 0.00 0.00 174.62 175.18 3h5h n GLY 37 N -0.51 -0.30 0.42 4.40 0.00 -1.26 -4.89 105.19 103.05 3h5h n GLY 37 Ca -0.06 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.17 3h5h n GLY 37 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3h5h n PHE 38 N -4.40 0.10 -0.10 1.61 3.01 -1.26 -4.21 117.46 112.21 3h5h n PHE 38 Ca -0.05 -0.05 0.02 0.00 1.01 0.00 0.00 57.45 58.38 3h5h n PHE 38 Cb 0.57 0.00 0.32 0.00 -0.01 0.00 0.00 39.48 40.36 3h5h n PHE 38 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 3h5h h GLU 39 N 1.83 0.75 0.00 -1.08 9.09 -1.83 -2.07 114.58 121.27 3h5h h GLU 39 Ca 0.00 -0.06 -0.03 0.00 0.05 0.00 0.00 59.36 59.32 3h5h h GLU 39 Cb 0.40 -0.16 -0.00 0.00 -1.65 0.00 0.00 28.75 27.33 3h5h h GLU 39 CO 0.00 0.53 -0.14 -0.44 0.05 0.00 0.00 179.01 179.01 3h5h h ASP 40 N 0.76 0.00 0.51 3.06 3.32 -1.94 -3.04 116.42 119.09 3h5h h ASP 40 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3h5h h ASP 40 Cb -0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3h5h h ASP 40 CO -0.04 0.14 -0.59 0.61 -1.72 0.00 0.00 179.24 177.64 3h5h n GLY 41 N 0.20 -1.25 3.66 2.75 0.00 -0.79 -4.50 105.19 105.27 3h5h n GLY 41 Ca 0.01 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 3h5h n GLY 41 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h5h s LEU 42 N -3.21 4.40 -1.25 0.99 2.96 -1.14 -2.25 118.68 119.18 3h5h s LEU 42 Ca 0.10 2.57 -0.09 0.00 -0.22 0.00 0.00 54.13 56.49 3h5h s LEU 42 Cb 0.17 -3.53 0.07 0.00 0.50 0.00 0.00 46.19 43.39 3h5h s LEU 42 CO 0.72 -1.01 0.45 0.49 -1.32 0.00 0.00 176.35 175.68 3h5h n PHE 43 N 7.24 -1.75 0.23 5.38 3.72 0.28 -4.80 117.46 127.76 3h5h n PHE 43 Ca 0.19 0.43 0.12 0.00 -0.05 0.00 0.00 57.45 58.14 3h5h n PHE 43 Cb 0.41 -2.83 0.72 0.00 -0.94 0.00 0.00 39.48 36.83 3h5h n PHE 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3h5h h ALA 44 N 0.97 1.96 0.04 4.37 0.00 -1.67 0.73 119.26 125.65 3h5h h ALA 44 Ca -0.41 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 3h5h h ALA 44 Cb 1.28 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.08 3h5h h ALA 44 CO 0.52 -0.11 -0.30 0.78 0.00 0.00 0.00 179.25 180.13 3h5h h GLY 45 N 0.00 0.15 2.00 0.00 0.00 -1.86 -3.31 103.07 100.05 3h5h h GLY 45 Ca 0.04 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 3h5h h GLY 45 CO -0.00 0.30 -0.32 1.49 0.00 0.00 0.00 176.54 178.01 3h5h h TRP 46 N -0.69 0.00 0.00 5.60 6.55 -1.80 -2.60 115.95 123.01 3h5h h TRP 46 Ca -0.05 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.79 3h5h h TRP 46 Cb 1.19 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.49 3h5h h TRP 46 CO 0.23 0.32 0.00 0.54 -1.05 0.00 0.00 178.44 178.48 3h5h n ARG 47 N -4.12 0.75 0.14 0.49 1.74 0.21 -2.68 116.66 113.20 3h5h n ARG 47 Ca -0.02 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.05 3h5h n ARG 47 Cb 0.36 -1.38 0.18 0.00 -1.02 0.00 0.00 32.46 30.60 3h5h n ARG 47 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3h5h h SER 48 N 0.00 0.00 -3.35 0.55 0.02 -1.56 -3.42 113.55 105.78 3h5h h SER 48 Ca 0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 3h5h h SER 48 Cb 0.00 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.46 3h5h h SER 48 CO 0.00 0.61 0.26 -0.62 -1.14 0.00 0.00 176.83 175.94 3h5h s ASP 49 N -6.84 6.85 0.00 3.07 -1.08 -1.09 -4.94 116.67 112.64 3h5h s ASP 49 Ca -0.01 1.04 0.15 0.00 -0.52 0.00 0.00 52.55 53.20 3h5h s ASP 49 Cb 0.13 -2.41 0.76 0.00 -1.46 0.00 0.00 42.92 39.94 3h5h s ASP 49 CO 0.76 -0.33 1.41 -2.65 0.52 0.00 0.00 175.17 174.89 3h5h n PRO 50 N 5.05 0.22 -0.17 4.34 -0.02 -1.26 -1.29 135.00 141.86 3h5h n PRO 50 Ca 0.02 0.14 0.09 0.00 -2.02 0.00 0.00 63.50 61.73 3h5h n PRO 50 Cb 0.49 -1.50 0.18 0.00 -0.02 0.00 0.00 33.50 32.66 3h5h n PRO 50 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h5h n ALA 51 N -1.28 2.37 -1.79 3.55 0.00 -1.26 -4.65 120.51 117.45 3h5h n ALA 51 Ca 0.07 -1.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.11 3h5h n ALA 51 Cb 0.12 -0.69 -0.02 0.00 0.00 0.00 0.00 19.45 18.86 3h5h n ALA 51 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3h5h s PHE 52 N -1.23 2.98 0.55 0.00 5.36 -0.41 -4.89 117.98 120.34 3h5h s PHE 52 Ca 0.32 1.32 0.25 0.00 -0.96 0.00 0.00 56.93 57.86 3h5h s PHE 52 Cb 0.18 -3.75 1.46 0.00 -0.34 0.00 0.00 43.02 40.57 3h5h s PHE 52 CO 0.25 -2.14 2.06 -0.24 -1.46 0.00 0.00 175.22 173.70 3h5h h VAL 53 N 3.10 0.69 0.00 3.12 3.04 -1.91 0.18 116.25 124.47 3h5h h VAL 53 Ca -0.49 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 3h5h h VAL 53 Cb 1.23 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.33 3h5h h VAL 53 CO 0.67 0.00 0.00 0.25 -1.01 0.00 0.00 177.57 177.48 3h5h h LEU 54 N 0.00 0.00 0.00 3.16 5.85 -1.90 -2.51 115.31 119.91 3h5h h LEU 54 Ca 0.14 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3h5h h LEU 54 Cb 0.63 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.66 3h5h h LEU 54 CO -0.00 0.00 -0.34 0.59 -0.34 0.00 0.00 178.44 178.35 3h5h n ASN 55 N -2.37 0.41 -4.77 1.25 3.02 0.05 -3.84 115.26 109.02 3h5h n ASN 55 Ca 0.05 0.10 -0.37 0.00 -0.03 0.00 0.00 54.58 54.32 3h5h n ASN 55 Cb 0.40 -0.06 -0.06 0.00 -0.61 0.00 0.00 39.78 39.44 3h5h n ASN 55 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3h5h s LEU 56 N -3.34 4.32 0.22 3.41 1.43 -0.94 -4.84 118.68 118.95 3h5h s LEU 56 Ca 0.11 0.70 -0.30 0.00 -1.03 0.00 0.00 54.13 53.62 3h5h s LEU 56 Cb 0.17 -2.49 -0.09 0.00 0.03 0.00 0.00 46.19 43.81 3h5h s LEU 56 CO 0.65 0.16 1.14 -0.94 0.23 0.00 0.00 176.35 177.59 3h5h s SER 57 N -0.02 7.19 -0.06 2.29 1.04 -1.26 0.25 113.70 123.13 3h5h s SER 57 Ca 0.21 2.23 0.17 0.00 0.48 0.00 0.00 55.95 59.03 3h5h s SER 57 Cb -0.14 -2.61 0.60 0.00 0.10 0.00 0.00 66.02 63.96 3h5h s SER 57 CO 0.08 -0.26 1.49 -0.81 0.98 0.00 0.00 173.24 174.72 3h5h n PRO 58 N 1.93 3.04 0.28 4.02 -0.04 -1.26 -4.91 135.00 138.05 3h5h n PRO 58 Ca 0.02 -2.38 0.16 0.00 -0.04 0.00 0.00 63.50 61.26 3h5h n PRO 58 Cb 0.45 -1.70 0.79 0.00 -0.04 0.00 0.00 33.50 33.00 3h5h n PRO 58 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3h5h h PHE 59 N 3.57 0.00 0.00 0.54 0.04 -0.45 -2.28 116.94 118.36 3h5h h PHE 59 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3h5h h PHE 59 Cb 1.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.28 3h5h h PHE 59 CO 0.58 0.06 0.00 -0.40 -0.60 0.00 0.00 178.31 177.95 3h5h n ASP 60 N -3.30 0.56 -0.57 2.17 5.75 -0.13 -1.93 116.55 119.11 3h5h n ASP 60 Ca -0.01 0.67 0.06 0.00 -0.01 0.00 0.00 54.79 55.50 3h5h n ASP 60 Cb 0.25 -0.78 0.16 0.00 -1.03 0.00 0.00 41.12 39.72 3h5h n ASP 60 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3h5h n ARG 61 N -2.16 2.81 -1.81 0.11 1.74 -0.86 -5.04 116.66 111.45 3h5h n ARG 61 Ca 0.01 -2.20 -0.32 0.00 -0.77 0.00 0.00 57.85 54.57 3h5h n ARG 61 Cb 0.16 -1.39 0.03 0.00 -1.02 0.00 0.00 32.46 30.24 3h5h n ARG 61 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3h5h s GLY 62 N -1.35 1.93 0.00 -0.13 0.00 -0.81 -4.68 107.32 102.27 3h5h s GLY 62 Ca 0.25 0.28 0.00 0.00 0.00 0.00 0.00 44.72 45.25 3h5h s GLY 62 CO 0.11 0.60 0.55 -1.14 0.00 0.00 0.00 173.10 173.22 3h5h n SER 63 N -2.55 0.26 -3.90 1.64 3.41 -0.78 -4.58 113.62 107.13 3h5h n SER 63 Ca 0.08 -1.13 -0.28 0.00 -0.26 0.00 0.00 58.87 57.29 3h5h n SER 63 Cb 0.53 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.31 3h5h n SER 63 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3h5h s VAL 64 N -0.13 1.11 -0.22 -3.33 1.01 -0.90 -1.14 120.40 116.80 3h5h s VAL 64 Ca 0.00 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.36 3h5h s VAL 64 Cb 0.00 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 3h5h s VAL 64 CO 0.00 0.20 0.05 -0.22 0.00 0.00 0.00 175.10 175.13 3h5h s LEU 65 N 1.64 3.48 -0.38 3.92 2.96 0.32 0.27 118.68 130.88 3h5h s LEU 65 Ca 0.02 -0.14 -0.09 0.00 -0.22 0.00 0.00 54.13 53.70 3h5h s LEU 65 Cb -0.14 -1.91 0.05 0.00 0.50 0.00 0.00 46.19 44.69 3h5h s LEU 65 CO -0.08 0.04 0.20 -0.69 -1.32 0.00 0.00 176.35 174.50 3h5h s VAL 66 N 1.18 4.24 0.32 1.68 1.01 -0.19 0.31 120.40 128.95 3h5h s VAL 66 Ca 0.04 -1.15 0.10 0.00 0.00 0.00 0.00 61.98 60.97 3h5h s VAL 66 Cb -0.14 -3.47 -0.06 0.00 0.00 0.00 0.00 36.38 32.71 3h5h s VAL 66 CO 0.03 -0.34 -0.07 0.00 0.00 0.00 0.00 175.10 174.72 3h5h s ALA 67 N 1.46 3.02 1.17 5.51 0.00 -0.11 -0.22 121.76 132.59 3h5h s ALA 67 Ca 0.01 -1.95 -0.18 0.00 0.00 0.00 0.00 51.96 49.84 3h5h s ALA 67 Cb -0.21 -0.29 0.27 0.00 0.00 0.00 0.00 23.12 22.90 3h5h s ALA 67 CO 0.04 0.14 1.12 0.20 0.00 0.00 0.00 175.76 177.26 3h5h s GLY 68 N -3.63 1.59 0.65 0.00 0.00 -0.83 -4.47 107.32 100.62 3h5h s GLY 68 Ca 0.33 -0.91 -0.17 0.00 0.00 0.00 0.00 44.72 43.96 3h5h s GLY 68 CO 0.18 -0.06 1.22 2.56 0.00 0.00 0.00 173.10 177.00 3h5h s PRO 69 N -5.40 2.64 -1.11 2.90 0.04 -1.26 -3.78 135.00 129.03 3h5h s PRO 69 Ca 0.71 1.84 -0.02 0.00 0.04 0.00 0.00 61.00 63.57 3h5h s PRO 69 Cb -0.10 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.56 3h5h s PRO 69 CO 0.56 -1.47 0.94 -0.25 0.04 0.00 0.00 177.00 176.82 3h5h n ASP 70 N -2.01 -2.92 -4.77 6.66 8.00 0.23 -1.06 116.55 120.67 3h5h n ASP 70 Ca 0.14 -0.54 -0.38 0.00 0.71 0.00 0.00 54.79 54.72 3h5h n ASP 70 Cb 0.50 -4.64 -0.04 0.00 -0.02 0.00 0.00 41.12 36.91 3h5h n ASP 70 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3h5h s PHE 71 N -3.32 3.42 -0.29 1.24 5.36 -0.90 -3.21 117.98 120.29 3h5h s PHE 71 Ca 0.12 1.68 0.00 0.00 -0.96 0.00 0.00 56.93 57.77 3h5h s PHE 71 Cb -0.05 -3.20 0.00 0.00 -0.34 0.00 0.00 43.02 39.43 3h5h s PHE 71 CO 0.66 -0.58 0.00 0.41 -1.46 0.00 0.00 175.22 174.25 3h5h n GLY 72 N 0.76 0.27 3.96 13.12 0.00 0.51 -0.68 105.19 123.14 3h5h n GLY 72 Ca 0.02 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 45.01 3h5h n GLY 72 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3h5h s THR 73 N -2.16 2.07 0.00 2.61 -1.32 -0.82 -3.96 115.64 112.06 3h5h s THR 73 Ca 0.00 -0.32 0.00 0.00 -1.21 0.00 0.00 61.69 60.16 3h5h s THR 73 Cb 0.00 -2.75 0.00 0.00 -1.51 0.00 0.00 72.50 68.24 3h5h s THR 73 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 3h5h n GLY 74 N -3.26 -0.47 3.41 6.08 0.00 -1.26 -2.48 105.19 107.22 3h5h n GLY 74 Ca 0.15 -1.32 -0.44 0.00 0.00 0.00 0.00 46.02 44.41 3h5h n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h5h s SER 75 N -4.00 6.22 1.08 1.61 1.04 -1.26 -4.97 113.70 113.41 3h5h s SER 75 Ca 0.00 -1.30 -0.12 0.00 0.48 0.00 0.00 55.95 55.02 3h5h s SER 75 Cb 0.00 -2.36 0.24 0.00 0.10 0.00 0.00 66.02 64.00 3h5h s SER 75 CO 0.00 -1.25 1.07 -0.44 0.98 0.00 0.00 173.24 173.60 3h5h s SER 76 N 3.64 1.66 0.01 7.02 0.01 -1.26 -4.72 113.70 120.05 3h5h s SER 76 Ca 0.18 1.74 0.03 0.00 1.31 0.00 0.00 55.95 59.20 3h5h s SER 76 Cb -0.19 -2.39 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 3h5h s SER 76 CO 0.07 -3.81 -0.10 -0.13 0.41 0.00 0.00 173.24 169.68 3h5h s ARG 77 N -4.54 0.72 0.40 12.44 3.00 -1.26 -4.96 118.95 124.76 3h5h s ARG 77 Ca 0.68 -0.48 0.16 0.00 0.00 0.00 0.00 55.73 56.09 3h5h s ARG 77 Cb -0.24 -0.67 1.03 0.00 0.00 0.00 0.00 34.95 35.07 3h5h s ARG 77 CO 0.62 0.17 1.85 1.05 0.00 0.00 0.00 175.30 179.00 3h5h h GLU 78 N 5.49 0.44 -0.62 3.54 9.09 -1.96 -2.58 114.58 127.98 3h5h h GLU 78 Ca -0.33 -0.03 0.04 0.00 0.05 0.00 0.00 59.36 59.09 3h5h h GLU 78 Cb 1.18 -0.10 -0.04 0.00 -1.65 0.00 0.00 28.75 28.14 3h5h h GLU 78 CO 0.47 0.29 0.36 0.45 0.05 0.00 0.00 179.01 180.64 3h5h h HIS 79 N 0.46 0.67 -0.98 2.06 3.86 -1.98 0.81 115.15 120.05 3h5h h HIS 79 Ca 0.47 0.02 0.09 0.00 -1.16 0.00 0.00 60.37 59.79 3h5h h HIS 79 Cb 1.10 -0.21 -0.07 0.00 1.06 0.00 0.00 27.41 29.29 3h5h h HIS 79 CO -0.00 0.36 0.63 0.00 0.86 0.00 0.00 177.93 179.78 3h5h h ALA 80 N 1.29 1.48 -0.29 2.45 0.00 -1.81 0.41 119.26 122.80 3h5h h ALA 80 Ca 0.26 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.99 3h5h h ALA 80 Cb 0.09 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3h5h h ALA 80 CO -0.13 0.33 -0.50 0.28 0.00 0.00 0.00 179.25 179.23 3h5h h VAL 81 N 1.07 1.28 -0.66 0.00 2.07 -1.17 -2.90 116.25 115.94 3h5h h VAL 81 Ca 0.45 -1.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 3h5h h VAL 81 Cb 0.31 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 3h5h h VAL 81 CO -0.20 0.55 0.37 -0.50 0.02 0.00 0.00 177.57 177.81 3h5h h TRP 82 N 0.63 0.90 -0.21 1.57 6.55 0.47 -1.67 115.95 124.20 3h5h h TRP 82 Ca 0.03 -0.02 0.03 0.00 0.95 0.00 0.00 58.89 59.88 3h5h h TRP 82 Cb 1.09 -0.29 -0.03 0.00 -0.86 0.00 0.00 29.16 29.07 3h5h h TRP 82 CO 0.06 0.64 0.04 0.00 -1.05 0.00 0.00 178.44 178.12 3h5h h ALA 83 N 1.19 0.21 -0.63 1.49 0.00 -0.22 0.21 119.26 121.50 3h5h h ALA 83 Ca 0.24 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3h5h h ALA 83 Cb 0.02 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3h5h h ALA 83 CO -0.04 -0.39 0.27 -0.07 0.00 0.00 0.00 179.25 179.02 3h5h h LEU 84 N 0.12 0.85 -0.07 0.00 3.38 -1.34 -2.04 115.31 116.21 3h5h h LEU 84 Ca 0.09 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3h5h h LEU 84 Cb 0.09 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3h5h h LEU 84 CO -0.13 0.77 0.02 0.24 0.09 0.00 0.00 178.44 179.43 3h5h h MET 85 N 0.87 0.12 -0.43 1.13 2.86 -1.03 -0.88 114.93 117.57 3h5h h MET 85 Ca 0.21 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 3h5h h MET 85 Cb 0.17 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3h5h h MET 85 CO -0.02 0.30 0.22 -0.44 1.06 0.00 0.00 176.91 178.02 3h5h h ASP 86 N -0.09 0.52 0.68 1.22 3.32 -0.85 -0.32 116.42 120.90 3h5h h ASP 86 Ca 0.02 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 3h5h h ASP 86 Cb 0.23 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3h5h h ASP 86 CO -0.00 0.44 -0.28 0.22 -1.72 0.00 0.00 179.24 177.90 3h5h h TYR 87 N 0.59 0.00 0.00 4.55 3.20 -1.26 -3.43 116.97 120.62 3h5h h TYR 87 Ca 0.15 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.02 3h5h h TYR 87 Cb 0.05 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.32 3h5h h TYR 87 CO 0.00 0.28 0.00 0.41 -1.64 0.00 0.00 178.16 177.21 3h5h n GLY 88 N -0.10 1.41 3.71 1.82 0.00 -0.13 -5.04 105.19 106.86 3h5h n GLY 88 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3h5h n GLY 88 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h5h s PHE 89 N -2.00 3.66 -0.13 1.61 0.08 -0.37 -4.46 117.98 116.37 3h5h s PHE 89 Ca 0.00 1.61 0.04 0.00 0.12 0.00 0.00 56.93 58.70 3h5h s PHE 89 Cb 0.00 -3.04 -0.06 0.00 -0.57 0.00 0.00 43.02 39.35 3h5h s PHE 89 CO 0.00 0.03 0.15 0.54 -0.10 0.00 0.00 175.22 175.84 3h5h n ARG 90 N 3.77 3.48 -3.97 0.44 5.12 -0.29 -4.08 116.66 121.13 3h5h n ARG 90 Ca 0.04 -0.02 -0.17 0.00 -1.93 0.00 0.00 57.85 55.77 3h5h n ARG 90 Cb 0.51 -0.86 -0.16 0.00 -1.16 0.00 0.00 32.46 30.79 3h5h n ARG 90 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3h5h s VAL 91 N -1.75 0.23 -0.10 1.55 1.01 -1.11 -1.09 120.40 119.14 3h5h s VAL 91 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.04 3h5h s VAL 91 Cb 0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 3h5h s VAL 91 CO 0.18 0.15 -0.15 -0.69 0.00 0.00 0.00 175.10 174.59 3h5h s VAL 92 N 0.95 2.87 -0.10 2.92 1.01 0.19 -0.52 120.40 127.72 3h5h s VAL 92 Ca -0.10 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.16 3h5h s VAL 92 Cb -0.13 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 3h5h s VAL 92 CO -0.01 0.55 -0.18 -0.63 0.00 0.00 0.00 175.10 174.83 3h5h s ILE 93 N 0.06 2.68 0.18 2.22 1.01 0.15 -0.65 121.20 126.85 3h5h s ILE 93 Ca -0.06 -0.81 -0.23 0.00 0.00 0.00 0.00 60.65 59.54 3h5h s ILE 93 Cb -0.15 -2.07 0.06 0.00 0.01 0.00 0.00 42.46 40.31 3h5h s ILE 93 CO 0.05 0.55 0.66 -0.55 0.00 0.00 0.00 174.94 175.65 3h5h s SER 94 N 0.08 -0.47 0.13 3.58 0.15 -0.94 -0.93 113.70 115.30 3h5h s SER 94 Ca -0.08 -0.17 0.25 0.00 0.70 0.00 0.00 55.95 56.65 3h5h s SER 94 Cb -0.15 0.61 0.46 0.00 -1.71 0.00 0.00 66.02 65.23 3h5h s SER 94 CO 0.05 -1.04 1.42 -1.54 1.20 0.00 0.00 173.24 173.34 3h5h n SER 95 N -0.39 0.69 -3.61 5.45 3.41 -1.22 -0.49 113.62 117.46 3h5h n SER 95 Ca -0.13 0.19 -0.03 0.00 -0.26 0.00 0.00 58.87 58.64 3h5h n SER 95 Cb 0.63 -0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.49 3h5h n SER 95 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3h5h s ARG 96 N -3.14 0.53 0.03 4.33 3.52 -1.26 -4.57 118.95 118.38 3h5h s ARG 96 Ca 0.07 1.04 0.00 0.00 -0.13 0.00 0.00 55.73 56.72 3h5h s ARG 96 Cb 0.14 0.30 -0.04 0.00 -1.56 0.00 0.00 34.95 33.79 3h5h s ARG 96 CO 0.69 -0.13 0.10 -0.06 -0.81 0.00 0.00 175.30 175.09 3h5h s PHE 97 N 1.90 3.31 0.17 5.12 0.08 -1.26 0.76 117.98 128.06 3h5h s PHE 97 Ca -0.08 0.19 -0.33 0.00 0.12 0.00 0.00 56.93 56.83 3h5h s PHE 97 Cb -0.06 -1.72 -0.15 0.00 -0.57 0.00 0.00 43.02 40.52 3h5h s PHE 97 CO -0.18 0.56 1.33 0.41 -0.10 0.00 0.00 175.22 177.24 3h5h n GLY 98 N 0.87 0.51 0.20 4.36 0.00 0.15 -4.85 105.19 106.42 3h5h n GLY 98 Ca -0.11 0.58 -0.12 0.00 0.00 0.00 0.00 46.02 46.37 3h5h n GLY 98 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3h5h h ASP 99 N 4.27 -0.43 -0.60 1.61 3.32 -1.91 -0.41 116.42 122.26 3h5h h ASP 99 Ca -0.45 0.05 0.07 0.00 0.02 0.00 0.00 57.03 56.72 3h5h h ASP 99 Cb 1.31 0.16 -0.06 0.00 0.22 0.00 0.00 39.33 40.96 3h5h h ASP 99 CO 0.76 -0.23 0.28 0.40 -1.72 0.00 0.00 179.24 178.73 3h5h h ILE 100 N -0.32 0.87 -0.28 0.35 2.04 -1.90 -1.93 117.51 116.34 3h5h h ILE 100 Ca 0.02 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3h5h h ILE 100 Cb 0.33 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 3h5h h ILE 100 CO -0.07 0.09 0.17 0.15 0.00 0.00 0.00 178.15 178.50 3h5h h PHE 101 N 0.52 0.36 -0.24 1.37 3.57 -1.65 -1.71 116.94 119.15 3h5h h PHE 101 Ca 0.29 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.80 3h5h h PHE 101 Cb 0.27 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 3h5h h PHE 101 CO -0.12 0.25 0.14 -0.09 -2.23 0.00 0.00 178.31 176.25 3h5h h ARG 102 N 0.36 0.28 0.04 1.11 2.43 -0.75 -0.55 114.38 117.30 3h5h h ARG 102 Ca 0.10 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3h5h h ARG 102 Cb -0.01 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.43 3h5h h ARG 102 CO -0.02 0.18 -0.37 0.78 -1.51 0.00 0.00 179.97 179.03 3h5h h GLY 103 N 0.29 -0.68 0.86 2.80 0.00 -1.15 -2.72 103.07 102.46 3h5h h GLY 103 Ca 0.09 0.45 0.10 0.00 0.00 0.00 0.00 47.33 47.97 3h5h h GLY 103 CO -0.04 -0.25 0.49 3.43 0.00 0.00 0.00 176.54 180.17 3h5h h ASN 104 N -0.55 0.57 0.05 0.19 2.35 -1.06 -3.15 115.58 113.98 3h5h h ASN 104 Ca 0.04 0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.83 3h5h h ASN 104 Cb 0.62 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.86 3h5h h ASN 104 CO -0.27 0.33 -0.17 0.00 -1.65 0.00 0.00 177.43 175.68 3h5h h ALA 105 N 1.63 -0.25 -0.61 -0.83 0.00 -0.76 -2.21 119.26 116.23 3h5h h ALA 105 Ca 0.35 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 3h5h h ALA 105 Cb 0.51 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3h5h h ALA 105 CO -0.13 -0.68 0.19 0.78 0.00 0.00 0.00 179.25 179.41 3h5h h GLY 106 N -0.30 1.02 1.84 0.00 0.00 -1.53 -0.15 103.07 103.94 3h5h h GLY 106 Ca 0.04 -0.61 0.02 0.00 0.00 0.00 0.00 47.33 46.78 3h5h h GLY 106 CO -0.12 0.57 0.07 0.50 0.00 0.00 0.00 176.54 177.55 3h5h h LYS 107 N 0.87 0.00 -0.28 4.80 6.56 -1.53 -2.90 116.57 124.08 3h5h h LYS 107 Ca 0.20 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.79 3h5h h LYS 107 Cb 0.29 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.95 3h5h h LYS 107 CO -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 179.45 177.38 3h5h n ALA 108 N -2.31 2.36 -0.71 3.86 0.00 -0.58 -4.89 120.51 118.25 3h5h n ALA 108 Ca -0.02 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.49 3h5h n ALA 108 Cb 0.16 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 18.99 3h5h n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h5h n GLY 109 N 0.99 0.61 3.44 0.00 0.00 -0.97 -5.03 105.19 104.23 3h5h n GLY 109 Ca 0.14 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 3h5h n GLY 109 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h5h s LEU 110 N 0.00 3.13 -0.39 0.99 2.96 -0.17 -4.94 118.68 120.25 3h5h s LEU 110 Ca 0.00 -0.21 -0.25 0.00 -0.22 0.00 0.00 54.13 53.45 3h5h s LEU 110 Cb 0.00 -1.76 0.02 0.00 0.50 0.00 0.00 46.19 44.94 3h5h s LEU 110 CO 0.00 0.11 0.87 -0.22 -1.32 0.00 0.00 176.35 175.80 3h5h s LEU 111 N 0.69 4.06 -0.57 -0.68 2.96 -0.25 -3.30 118.68 121.59 3h5h s LEU 111 Ca -0.02 0.35 -0.16 0.00 -0.22 0.00 0.00 54.13 54.09 3h5h s LEU 111 Cb -0.14 -3.15 0.14 0.00 0.50 0.00 0.00 46.19 43.53 3h5h s LEU 111 CO 0.02 -0.87 0.53 0.00 -1.32 0.00 0.00 176.35 174.71 3h5h s ALA 112 N 3.42 3.70 -0.29 5.97 0.00 -1.26 -0.63 121.76 132.66 3h5h s ALA 112 Ca 0.35 -2.64 -0.15 0.00 0.00 0.00 0.00 51.96 49.53 3h5h s ALA 112 Cb -0.12 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 3h5h s ALA 112 CO 0.20 -2.05 0.37 0.00 0.00 0.00 0.00 175.76 174.28 3h5h s ALA 113 N 1.42 3.54 -0.12 0.00 0.00 0.17 -4.78 121.76 121.99 3h5h s ALA 113 Ca 0.05 -0.94 -0.18 0.00 0.00 0.00 0.00 51.96 50.88 3h5h s ALA 113 Cb -0.28 -2.74 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 3h5h s ALA 113 CO 0.01 -0.79 0.49 -2.00 0.00 0.00 0.00 175.76 173.48 3h5h s GLU 114 N 2.06 4.34 0.03 0.00 2.12 -0.95 -2.23 118.70 124.08 3h5h s GLU 114 Ca 0.14 0.47 0.02 0.00 0.36 0.00 0.00 54.97 55.97 3h5h s GLU 114 Cb -0.16 -3.45 -0.02 0.00 0.26 0.00 0.00 34.13 30.76 3h5h s GLU 114 CO 0.11 0.13 -0.08 0.08 -0.54 0.00 0.00 175.26 174.96 3h5h s VAL 115 N 0.71 0.57 0.38 3.70 1.01 0.35 -1.18 120.40 125.95 3h5h s VAL 115 Ca 0.26 -0.92 -0.28 0.00 0.00 0.00 0.00 61.98 61.05 3h5h s VAL 115 Cb -0.15 -0.60 -0.11 0.00 0.00 0.00 0.00 36.38 35.52 3h5h s VAL 115 CO 0.11 -0.26 1.41 0.00 0.00 0.00 0.00 175.10 176.35 3h5h n ALA 116 N 1.76 1.94 -0.33 5.51 0.00 -1.26 -3.41 120.51 124.72 3h5h n ALA 116 Ca -0.21 0.33 0.06 0.00 0.00 0.00 0.00 53.44 53.62 3h5h n ALA 116 Cb 0.55 -2.36 0.21 0.00 0.00 0.00 0.00 19.45 17.86 3h5h n ALA 116 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3h5h h GLN 117 N 2.70 0.87 -0.90 0.00 5.75 -1.94 0.17 115.11 121.75 3h5h h GLN 117 Ca -0.49 -0.05 0.19 0.00 -0.15 0.00 0.00 58.65 58.15 3h5h h GLN 117 Cb 1.26 -0.20 -0.11 0.00 1.07 0.00 0.00 27.48 29.51 3h5h h GLN 117 CO 0.63 0.57 0.46 -0.44 -2.65 0.00 0.00 178.83 177.40 3h5h h ASP 118 N 0.89 0.50 0.99 -0.69 3.32 -2.00 0.92 116.42 120.35 3h5h h ASP 118 Ca 0.46 0.12 -0.10 0.00 0.02 0.00 0.00 57.03 57.53 3h5h h ASP 118 Cb 0.45 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 3h5h h ASP 118 CO -0.27 0.13 -0.46 0.44 -1.72 0.00 0.00 179.24 177.37 3h5h h ASP 119 N 0.55 0.00 -0.15 6.45 5.19 -1.10 -2.31 116.42 125.06 3h5h h ASP 119 Ca 0.53 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.88 3h5h h ASP 119 Cb 0.89 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.40 3h5h h ASP 119 CO -0.44 0.46 -0.14 0.58 -3.12 0.00 0.00 179.24 176.59 3h5h h VAL 120 N 0.00 1.34 -0.39 -1.35 2.07 0.76 -2.02 116.25 116.67 3h5h h VAL 120 Ca -0.00 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.21 3h5h h VAL 120 Cb 1.08 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 3h5h h VAL 120 CO 0.06 0.38 0.15 -0.33 0.02 0.00 0.00 177.57 177.85 3h5h h GLU 121 N -0.01 0.55 -0.01 1.57 4.39 -1.02 -1.18 114.58 118.86 3h5h h GLU 121 Ca 0.02 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3h5h h GLU 121 Cb 0.66 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 3h5h h GLU 121 CO 0.03 0.46 -0.01 1.25 -1.16 0.00 0.00 179.01 179.59 3h5h h LEU 122 N 0.55 -0.03 -0.71 1.33 5.85 -1.34 -2.19 115.31 118.76 3h5h h LEU 122 Ca 0.13 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 3h5h h LEU 122 Cb 0.12 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3h5h h LEU 122 CO -0.01 -0.02 0.11 -0.07 -0.34 0.00 0.00 178.44 178.11 3h5h h LEU 123 N -0.02 1.05 -0.60 2.25 3.38 -0.72 -2.43 115.31 118.21 3h5h h LEU 123 Ca 0.01 -0.25 0.09 0.00 0.09 0.00 0.00 57.88 57.82 3h5h h LEU 123 Cb 0.03 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.43 3h5h h LEU 123 CO -0.02 1.04 0.23 -0.50 0.09 0.00 0.00 178.44 179.28 3h5h h TRP 124 N 1.02 0.40 -0.48 1.13 6.55 -1.17 -1.63 115.95 121.77 3h5h h TRP 124 Ca 0.20 0.03 -0.02 0.00 0.95 0.00 0.00 58.89 60.05 3h5h h TRP 124 Cb 0.44 -0.09 -0.02 0.00 -0.86 0.00 0.00 29.16 28.63 3h5h h TRP 124 CO 0.03 0.11 0.22 0.87 -1.05 0.00 0.00 178.44 178.62 3h5h h LYS 125 N 0.42 0.71 -0.61 0.49 1.57 -1.05 -0.76 116.57 117.33 3h5h h LYS 125 Ca 0.30 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 3h5h h LYS 125 Cb 0.36 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 3h5h h LYS 125 CO -0.30 0.61 0.39 -0.07 -0.57 0.00 0.00 179.45 179.52 3h5h h LEU 126 N 0.64 0.67 -0.35 2.94 3.38 -0.97 -0.65 115.31 120.97 3h5h h LEU 126 Ca 0.16 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.94 3h5h h LEU 126 Cb 0.15 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3h5h h LEU 126 CO -0.02 0.48 -0.58 0.40 0.09 0.00 0.00 178.44 178.81 3h5h h ILE 127 N 0.79 1.29 -0.06 1.22 2.04 -1.13 -1.81 117.51 119.85 3h5h h ILE 127 Ca 0.23 -1.79 -0.15 0.00 1.00 0.00 0.00 64.86 64.15 3h5h h ILE 127 Cb -0.05 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 3h5h h ILE 127 CO -0.07 0.57 -0.64 -0.33 0.00 0.00 0.00 178.15 177.69 3h5h h GLU 128 N 0.58 0.22 0.00 2.37 5.08 -0.92 -0.03 114.58 121.88 3h5h h GLU 128 Ca 0.00 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.09 3h5h h GLU 128 Cb 1.17 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 3h5h h GLU 128 CO 0.12 0.78 -0.51 1.96 -1.00 0.00 0.00 179.01 180.37 3h5h h GLN 129 N 0.16 0.00 -2.01 2.33 1.08 -1.12 -3.39 115.11 112.15 3h5h h GLN 129 Ca -0.01 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.67 3h5h h GLN 129 Cb 1.15 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 28.19 3h5h h GLN 129 CO 0.10 0.51 -1.13 0.43 -0.95 0.00 0.00 178.83 177.79 3h5h n SER 130 N -3.33 0.76 -4.54 1.46 7.64 -0.69 -5.10 113.62 109.82 3h5h n SER 130 Ca 0.01 -2.92 -0.47 0.00 1.01 0.00 0.00 58.87 56.50 3h5h n SER 130 Cb 0.68 -0.63 -0.03 0.00 -1.01 0.00 0.00 64.21 63.23 3h5h n SER 130 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3h5h n PRO 131 N 0.72 0.93 0.00 1.43 -0.02 -0.06 -0.44 135.00 137.55 3h5h n PRO 131 Ca 0.24 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3h5h n PRO 131 Cb 0.59 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 3h5h n PRO 131 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h5h n GLY 132 N 1.68 3.26 3.58 -1.23 0.00 -1.26 -4.93 105.19 106.29 3h5h n GLY 132 Ca 0.14 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.70 3h5h n GLY 132 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3h5h n LEU 133 N 0.00 1.57 -4.70 0.99 7.94 0.41 -4.80 117.00 118.41 3h5h n LEU 133 Ca 0.00 1.16 -0.35 0.00 -1.11 0.00 0.00 56.01 55.71 3h5h n LEU 133 Cb 0.00 -1.25 -0.09 0.00 0.53 0.00 0.00 43.42 42.61 3h5h n LEU 133 CO 0.00 -1.43 -0.22 -1.61 -1.11 0.00 0.00 177.39 173.01 3h5h s GLU 134 N -1.11 3.89 -0.16 1.96 2.02 -1.26 -2.48 118.70 121.56 3h5h s GLU 134 Ca 0.64 -0.28 -0.09 0.00 0.02 0.00 0.00 54.97 55.26 3h5h s GLU 134 Cb -0.76 -3.24 -0.05 0.00 0.10 0.00 0.00 34.13 30.18 3h5h s GLU 134 CO 0.57 0.39 0.14 0.42 0.02 0.00 0.00 175.26 176.80 3h5h s ILE 135 N 0.07 5.45 -0.11 -1.63 1.09 -0.02 -4.51 121.20 121.54 3h5h s ILE 135 Ca 0.07 0.21 -0.03 0.00 -1.10 0.00 0.00 60.65 59.80 3h5h s ILE 135 Cb -0.12 -3.45 -0.03 0.00 -1.06 0.00 0.00 42.46 37.80 3h5h s ILE 135 CO 0.00 0.52 0.01 -0.89 -0.10 0.00 0.00 174.94 174.48 3h5h s THR 136 N -0.23 4.39 -0.25 2.92 2.01 -0.18 -2.24 115.64 122.05 3h5h s THR 136 Ca 0.11 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.91 3h5h s THR 136 Cb -0.12 -2.88 0.04 0.00 0.01 0.00 0.00 72.50 69.55 3h5h s THR 136 CO 0.01 0.57 -0.09 0.00 -0.69 0.00 0.00 174.62 174.41 3h5h s ALA 137 N -0.51 2.61 -0.35 7.40 0.00 -0.15 -0.86 121.76 129.90 3h5h s ALA 137 Ca 0.09 -1.57 -0.12 0.00 0.00 0.00 0.00 51.96 50.36 3h5h s ALA 137 Cb -0.12 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.39 3h5h s ALA 137 CO 0.02 -0.94 0.22 1.21 0.00 0.00 0.00 175.76 176.27 3h5h s ASN 138 N 1.23 5.85 0.12 0.00 3.84 0.21 -2.14 114.94 124.05 3h5h s ASN 138 Ca -0.03 -0.65 0.05 0.00 0.21 0.00 0.00 52.86 52.44 3h5h s ASN 138 Cb -0.18 -2.08 -0.20 0.00 -0.55 0.00 0.00 41.25 38.25 3h5h s ASN 138 CO -0.06 -0.29 1.27 0.25 -2.79 0.00 0.00 177.10 175.48 3h5h h LEU 139 N 8.46 0.09 -0.30 3.21 5.85 -1.01 0.42 115.31 132.03 3h5h h LEU 139 Ca -0.30 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.29 3h5h h LEU 139 Cb 1.14 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 3h5h h LEU 139 CO 0.65 1.05 0.01 -0.61 -0.34 0.00 0.00 178.44 179.20 3h5h h GLN 140 N 0.02 0.52 -0.00 1.25 4.15 -1.84 -3.21 115.11 115.99 3h5h h GLN 140 Ca -0.03 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.22 3h5h h GLN 140 Cb 1.78 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.42 3h5h h GLN 140 CO 0.14 0.66 -0.70 -0.25 -1.93 0.00 0.00 178.83 176.76 3h5h n ASP 141 N -4.58 0.97 -3.48 -0.69 8.00 -1.23 -4.99 116.55 110.56 3h5h n ASP 141 Ca -0.03 -0.81 -0.19 0.00 0.71 0.00 0.00 54.79 54.47 3h5h n ASP 141 Cb 0.25 0.60 0.09 0.00 -0.02 0.00 0.00 41.12 42.04 3h5h n ASP 141 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3h5h n ARG 142 N -1.23 -6.90 -4.30 -1.24 5.12 0.14 -4.96 116.66 103.30 3h5h n ARG 142 Ca 0.06 0.84 -0.24 0.00 -1.93 0.00 0.00 57.85 56.58 3h5h n ARG 142 Cb 0.35 -5.85 -0.12 0.00 -1.16 0.00 0.00 32.46 25.67 3h5h n ARG 142 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 3h5h s ILE 143 N -3.36 1.75 -0.13 0.55 -4.36 -0.80 -1.99 121.20 112.88 3h5h s ILE 143 Ca 0.14 -1.62 -0.04 0.00 -0.26 0.00 0.00 60.65 58.87 3h5h s ILE 143 Cb -0.06 -1.62 -0.04 0.00 1.25 0.00 0.00 42.46 41.99 3h5h s ILE 143 CO 0.73 -0.10 0.03 -0.63 0.24 0.00 0.00 174.94 175.21 3h5h s ILE 144 N -1.30 4.51 -0.04 8.37 -1.09 0.26 -0.62 121.20 131.27 3h5h s ILE 144 Ca 0.08 -0.16 0.05 0.00 -2.23 0.00 0.00 60.65 58.39 3h5h s ILE 144 Cb -0.09 -2.95 -0.00 0.00 -1.58 0.00 0.00 42.46 37.83 3h5h s ILE 144 CO 0.05 0.55 -0.18 -0.89 -1.23 0.00 0.00 174.94 173.23 3h5h s THR 145 N -0.35 1.51 -0.10 2.92 2.01 -0.04 -0.34 115.64 121.24 3h5h s THR 145 Ca 0.08 -0.76 -0.04 0.00 0.31 0.00 0.00 61.69 61.27 3h5h s THR 145 Cb -0.12 -1.29 0.05 0.00 0.01 0.00 0.00 72.50 71.15 3h5h s THR 145 CO 0.02 0.43 0.21 0.00 -0.69 0.00 0.00 174.62 174.59 3h5h s ALA 146 N -0.02 -0.36 0.00 7.40 0.00 -0.28 -1.01 121.76 127.48 3h5h s ALA 146 Ca -0.03 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.69 3h5h s ALA 146 Cb -0.11 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.18 3h5h s ALA 146 CO 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 175.76 175.28 3h5h n ALA 147 N 5.06 0.00 -0.75 0.00 0.00 -1.26 -0.51 120.51 123.05 3h5h n ALA 147 Ca -0.10 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.42 3h5h n ALA 147 Cb 0.50 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.25 3h5h n ALA 147 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3h5h n THR 148 N 0.00 2.06 -3.38 0.00 -2.24 -1.26 -4.93 114.28 104.53 3h5h n THR 148 Ca 0.00 -1.48 -0.38 0.00 -2.27 0.00 0.00 64.05 59.92 3h5h n THR 148 Cb 0.00 -0.04 -0.06 0.00 -2.10 0.00 0.00 70.33 68.13 3h5h n THR 148 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3h5h s VAL 149 N -2.28 5.14 -0.10 2.28 1.01 0.34 -5.08 120.40 121.71 3h5h s VAL 149 Ca 0.44 0.90 0.03 0.00 0.00 0.00 0.00 61.98 63.35 3h5h s VAL 149 Cb 0.32 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.92 3h5h s VAL 149 CO 0.15 0.41 -0.21 -0.69 0.00 0.00 0.00 175.10 174.76 3h5h s VAL 150 N 0.11 1.87 -0.00 2.92 1.01 -1.26 -1.13 120.40 123.91 3h5h s VAL 150 Ca 0.25 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.36 3h5h s VAL 150 Cb -0.15 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 3h5h s VAL 150 CO 0.11 0.52 -0.11 -0.76 0.00 0.00 0.00 175.10 174.86 3h5h s LEU 151 N 0.46 2.03 0.40 3.92 1.43 0.53 -4.97 118.68 122.48 3h5h s LEU 151 Ca -0.17 -0.22 -0.19 0.00 -1.03 0.00 0.00 54.13 52.52 3h5h s LEU 151 Cb -0.17 -0.54 -0.10 0.00 0.03 0.00 0.00 46.19 45.40 3h5h s LEU 151 CO 0.07 0.12 0.89 -2.16 0.23 0.00 0.00 176.35 175.49 3h5h s PRO 152 N -0.33 4.17 0.11 1.29 0.04 -1.26 0.89 135.00 139.91 3h5h s PRO 152 Ca 0.04 1.00 0.03 0.00 0.04 0.00 0.00 61.00 62.11 3h5h s PRO 152 Cb -0.04 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 3h5h s PRO 152 CO -0.00 0.03 -0.09 -0.59 0.04 0.00 0.00 177.00 176.39 3h5h s PHE 153 N -2.11 1.04 0.00 0.56 -0.12 -0.84 -4.70 117.98 111.82 3h5h s PHE 153 Ca 0.59 -0.76 0.03 0.00 -0.05 0.00 0.00 56.93 56.74 3h5h s PHE 153 Cb -0.10 -0.57 -0.03 0.00 -0.63 0.00 0.00 43.02 41.69 3h5h s PHE 153 CO 0.15 -0.03 -0.04 0.15 -0.05 0.00 0.00 175.22 175.40 3h5h s LYS 154 N -3.35 2.64 -0.13 1.99 1.02 -0.33 -4.79 119.74 116.81 3h5h s LYS 154 Ca 0.10 -0.68 -0.17 0.00 0.02 0.00 0.00 55.97 55.24 3h5h s LYS 154 Cb 0.01 -2.57 0.04 0.00 -0.52 0.00 0.00 37.83 34.79 3h5h s LYS 154 CO -0.01 0.61 0.45 -1.50 -0.92 0.00 0.00 175.35 173.97 3h5h s ILE 155 N -1.04 0.01 0.43 2.17 2.07 -1.26 -2.23 121.20 121.34 3h5h s ILE 155 Ca 0.18 -0.09 -0.23 0.00 -1.41 0.00 0.00 60.65 59.10 3h5h s ILE 155 Cb -0.11 -0.66 -0.09 0.00 0.13 0.00 0.00 42.46 41.73 3h5h s ILE 155 CO 0.09 -0.05 1.03 1.51 -1.91 0.00 0.00 174.94 175.61 3h5h s ASP 156 N -0.18 6.67 0.49 4.50 -4.77 -1.26 -4.87 116.67 117.25 3h5h s ASP 156 Ca -0.04 1.96 0.18 0.00 -3.30 0.00 0.00 52.55 51.35 3h5h s ASP 156 Cb -0.03 -2.57 1.20 0.00 -1.09 0.00 0.00 42.92 40.42 3h5h s ASP 156 CO 0.02 -0.55 2.07 0.44 0.70 0.00 0.00 175.17 177.85 3h5h h ASP 157 N 2.17 0.00 -0.48 2.11 3.32 -2.01 -1.72 116.42 119.81 3h5h h ASP 157 Ca -0.49 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.49 3h5h h ASP 157 Cb 1.21 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 3h5h h ASP 157 CO 0.61 0.11 0.00 0.45 -1.72 0.00 0.00 179.24 178.70 3h5h h HIS 158 N 0.00 0.93 -0.28 4.55 3.86 -1.99 0.40 115.15 122.61 3h5h h HIS 158 Ca -0.00 -0.16 -0.02 0.00 -1.16 0.00 0.00 60.37 59.03 3h5h h HIS 158 Cb 0.21 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 3h5h h HIS 158 CO 0.00 0.88 0.10 0.77 0.86 0.00 0.00 177.93 180.54 3h5h h SER 159 N 0.71 0.39 -0.52 2.45 0.02 -1.74 -2.31 113.55 112.56 3h5h h SER 159 Ca 0.14 -0.18 0.07 0.00 -0.84 0.00 0.00 61.79 60.98 3h5h h SER 159 Cb 0.51 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.89 3h5h h SER 159 CO 0.02 0.47 0.19 0.00 -1.14 0.00 0.00 176.83 176.38 3h5h h ALA 160 N 0.94 0.64 -0.80 3.77 0.00 -1.10 -1.31 119.26 121.39 3h5h h ALA 160 Ca 0.09 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3h5h h ALA 160 Cb 0.20 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3h5h h ALA 160 CO -0.01 -0.20 0.52 2.35 0.00 0.00 0.00 179.25 181.91 3h5h h TRP 161 N 0.38 0.97 -0.60 0.00 7.01 -0.78 -0.21 115.95 122.71 3h5h h TRP 161 Ca 0.25 0.02 -0.10 0.00 2.11 0.00 0.00 58.89 61.17 3h5h h TRP 161 Cb 0.26 -0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 26.97 3h5h h TRP 161 CO -0.16 0.57 -0.01 0.00 -2.79 0.00 0.00 178.44 176.06 3h5h h ARG 162 N 1.02 1.06 0.06 2.65 3.08 -0.82 -1.37 114.38 120.06 3h5h h ARG 162 Ca 0.31 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 3h5h h ARG 162 Cb -0.02 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.93 3h5h h ARG 162 CO -0.10 1.04 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.74 3h5h h LEU 163 N 0.97 -0.07 -1.26 3.04 3.38 -0.94 -2.67 115.31 117.76 3h5h h LEU 163 Ca 0.17 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.86 3h5h h LEU 163 Cb 0.56 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 3h5h h LEU 163 CO 0.03 0.25 0.48 -0.07 0.09 0.00 0.00 178.44 179.23 3h5h h LEU 164 N -0.40 0.86 -0.00 1.67 3.38 -1.00 -1.83 115.31 117.99 3h5h h LEU 164 Ca -0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3h5h h LEU 164 Cb 0.35 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3h5h h LEU 164 CO 0.01 0.63 -0.00 -0.62 0.09 0.00 0.00 178.44 178.55 3h5h n GLU 165 N -4.42 0.85 -3.77 1.13 -0.58 -0.52 -4.61 120.64 108.73 3h5h n GLU 165 Ca 0.08 -0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.55 3h5h n GLU 165 Cb 0.04 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.46 3h5h n GLU 165 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h5h n GLY 166 N 1.08 -0.49 3.58 0.62 0.00 -0.69 -4.89 105.19 104.40 3h5h n GLY 166 Ca 0.21 0.20 -0.42 0.00 0.00 0.00 0.00 46.02 46.02 3h5h n GLY 166 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h5h s LEU 167 N -7.19 3.73 0.00 0.99 1.43 -1.02 -5.07 118.68 111.55 3h5h s LEU 167 Ca 0.54 -2.24 0.00 0.00 -1.03 0.00 0.00 54.13 51.40 3h5h s LEU 167 Cb -0.26 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.38 3h5h s LEU 167 CO 0.79 -1.37 0.00 -0.67 0.23 0.00 0.00 176.35 175.33