#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x32 s LEU 1 N 0.00 3.04 0.06 0.27 1.43 -1.26 -1.10 118.68 121.12 2x32 s LEU 1 Ca 0.00 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 2x32 s LEU 1 Cb 0.00 -1.72 -0.26 0.00 0.03 0.00 0.00 46.19 44.24 2x32 s LEU 1 CO 0.00 0.16 1.09 0.00 0.23 0.00 0.00 176.35 177.83 2x32 h ALA 2 N 6.74 0.21 -2.81 4.21 0.00 -0.92 -3.44 119.26 123.25 2x32 h ALA 2 Ca -0.29 -0.96 -0.15 0.00 0.00 0.00 0.00 54.91 53.50 2x32 h ALA 2 Cb 1.20 0.05 -0.20 0.00 0.00 0.00 0.00 17.79 18.84 2x32 h ALA 2 CO 0.60 1.09 -0.58 0.71 0.00 0.00 0.00 179.25 181.08 2x32 s TYR 3 N -2.66 0.15 -0.01 0.00 2.02 -0.91 -4.18 117.35 111.76 2x32 s TYR 3 Ca -0.04 -0.34 0.07 0.00 -0.37 0.00 0.00 57.07 56.39 2x32 s TYR 3 Cb 0.08 -0.12 -0.02 0.00 -0.40 0.00 0.00 41.96 41.50 2x32 s TYR 3 CO 0.86 -0.26 -0.23 0.45 -1.57 0.00 0.00 175.55 174.80 2x32 s SER 4 N -1.52 3.36 0.14 2.29 0.15 0.13 -0.74 113.70 117.52 2x32 s SER 4 Ca -0.14 -0.43 -0.31 0.00 0.70 0.00 0.00 55.95 55.77 2x32 s SER 4 Cb -0.08 -0.47 -0.09 0.00 -1.71 0.00 0.00 66.02 63.68 2x32 s SER 4 CO -0.00 0.31 1.48 -0.22 1.20 0.00 0.00 173.24 176.00 2x32 s LEU 5 N -0.85 4.37 -0.81 3.45 2.96 0.06 -1.17 118.68 126.70 2x32 s LEU 5 Ca 0.11 2.48 -0.25 0.00 -0.22 0.00 0.00 54.13 56.25 2x32 s LEU 5 Cb -0.10 -3.59 0.05 0.00 0.50 0.00 0.00 46.19 43.05 2x32 s LEU 5 CO 0.01 -0.74 1.26 -0.62 -1.32 0.00 0.00 176.35 174.93 2x32 s ASP 6 N 1.10 6.27 0.26 3.68 -1.08 0.01 -4.79 116.67 122.11 2x32 s ASP 6 Ca 0.67 -0.89 0.03 0.00 -0.52 0.00 0.00 52.55 51.85 2x32 s ASP 6 Cb -0.40 -2.53 0.33 0.00 -1.46 0.00 0.00 42.92 38.86 2x32 s ASP 6 CO 0.31 -1.64 1.64 0.00 0.52 0.00 0.00 175.17 176.00 2x32 h ALA 7 N 9.82 0.97 -0.35 3.66 0.00 -1.86 -2.59 119.26 128.92 2x32 h ALA 7 Ca -0.14 -0.44 -0.17 0.00 0.00 0.00 0.00 54.91 54.16 2x32 h ALA 7 Cb 1.04 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 2x32 h ALA 7 CO 1.29 0.63 -0.45 0.00 0.00 0.00 0.00 179.25 180.72 2x32 h THR 8 N 0.29 1.27 0.00 0.00 1.03 -1.90 -3.21 112.91 110.39 2x32 h THR 8 Ca 0.02 -1.63 0.00 0.00 -0.01 0.00 0.00 66.41 64.80 2x32 h THR 8 Cb 0.90 1.48 0.00 0.00 -1.07 0.00 0.00 68.15 69.46 2x32 h THR 8 CO 0.07 0.54 0.00 0.00 -0.01 0.00 0.00 175.52 176.12 2x32 h ALA 9 N 0.73 1.00 -2.34 0.00 0.00 -1.92 -3.46 119.26 113.28 2x32 h ALA 9 Ca 0.04 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.45 2x32 h ALA 9 Cb 1.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2x32 h ALA 9 CO 0.11 0.00 0.07 -1.12 0.00 0.00 0.00 179.25 178.31 2x32 s SER 10 N -5.39 6.61 0.05 0.00 0.01 -0.99 -4.85 113.70 109.14 2x32 s SER 10 Ca 0.09 1.13 -0.12 0.00 1.31 0.00 0.00 55.95 58.36 2x32 s SER 10 Cb 0.09 -2.32 0.01 0.00 0.21 0.00 0.00 66.02 64.01 2x32 s SER 10 CO 0.63 -0.30 0.25 0.72 0.41 0.00 0.00 173.24 174.95 2x32 s PHE 11 N -2.18 -0.02 -0.10 2.43 -0.12 -0.31 -4.95 117.98 112.73 2x32 s PHE 11 Ca 0.51 -0.17 -0.04 0.00 -0.05 0.00 0.00 56.93 57.18 2x32 s PHE 11 Cb -0.10 0.03 0.05 0.00 -0.63 0.00 0.00 43.02 42.37 2x32 s PHE 11 CO 0.26 -0.48 0.21 -1.17 -0.05 0.00 0.00 175.22 173.99 2x32 s LEU 12 N -2.13 0.24 0.23 -1.99 0.20 -1.26 -1.85 118.68 112.13 2x32 s LEU 12 Ca -0.04 0.45 0.03 0.00 0.69 0.00 0.00 54.13 55.26 2x32 s LEU 12 Cb -0.01 0.56 -0.05 0.00 -0.43 0.00 0.00 46.19 46.26 2x32 s LEU 12 CO -0.04 -0.19 0.00 0.54 -0.29 0.00 0.00 176.35 176.37 2x32 s ASN 13 N 1.67 1.76 0.02 3.68 4.22 0.10 -2.29 114.94 124.10 2x32 s ASN 13 Ca -0.05 -1.22 -0.09 0.00 -2.14 0.00 0.00 52.86 49.36 2x32 s ASN 13 Cb -0.11 0.02 0.00 0.00 1.28 0.00 0.00 41.25 42.44 2x32 s ASN 13 CO -0.07 -0.52 0.17 0.72 -2.04 0.00 0.00 177.10 175.36 2x32 s PHE 14 N -3.45 0.03 -0.14 1.54 -0.12 -0.11 -1.50 117.98 114.24 2x32 s PHE 14 Ca 0.28 -0.16 0.02 0.00 -0.05 0.00 0.00 56.93 57.02 2x32 s PHE 14 Cb 0.06 -0.03 0.00 0.00 -0.63 0.00 0.00 43.02 42.42 2x32 s PHE 14 CO 0.08 -0.35 -0.20 0.08 -0.05 0.00 0.00 175.22 174.78 2x32 s VAL 15 N -1.86 2.28 0.19 -2.49 1.01 -0.43 -0.19 120.40 118.91 2x32 s VAL 15 Ca -0.11 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 60.96 2x32 s VAL 15 Cb -0.05 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 2x32 s VAL 15 CO -0.00 0.54 0.38 -0.94 0.00 0.00 0.00 175.10 175.07 2x32 s SER 16 N 0.73 6.38 -0.06 3.32 1.04 -0.20 -3.81 113.70 121.10 2x32 s SER 16 Ca -0.08 0.37 0.03 0.00 0.48 0.00 0.00 55.95 56.75 2x32 s SER 16 Cb -0.16 -2.00 0.01 0.00 0.10 0.00 0.00 66.02 63.97 2x32 s SER 16 CO 0.00 -0.03 -0.14 -0.55 0.98 0.00 0.00 173.24 173.50 2x32 s SER 17 N -3.17 1.94 0.18 7.02 0.15 -1.26 -1.76 113.70 116.79 2x32 s SER 17 Ca 0.38 -0.33 0.07 0.00 0.70 0.00 0.00 55.95 56.77 2x32 s SER 17 Cb -0.11 -0.80 -0.04 0.00 -1.71 0.00 0.00 66.02 63.36 2x32 s SER 17 CO 0.29 0.07 -0.14 -1.59 1.20 0.00 0.00 173.24 173.07 2x32 s LYS 18 N 0.47 1.23 4.96 5.44 -2.85 -0.35 -0.37 119.74 128.26 2x32 s LYS 18 Ca -0.12 -1.50 0.00 0.00 -1.00 0.00 0.00 55.97 53.35 2x32 s LYS 18 Cb -0.15 -1.02 0.00 0.00 -2.06 0.00 0.00 37.83 34.61 2x32 s LYS 18 CO 0.04 0.17 0.00 1.63 0.10 0.00 0.00 175.35 177.29 2x32 n LYS 19 N -0.15 0.00 -2.96 1.78 5.02 -0.22 -0.89 118.16 120.73 2x32 n LYS 19 Ca -0.10 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.75 2x32 n LYS 19 Cb 0.60 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.59 2x32 n LYS 19 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2x32 s THR 20 N 0.00 4.87 -1.40 -0.18 2.01 -1.26 -4.59 115.64 115.10 2x32 s THR 20 Ca 0.00 -1.88 -0.01 0.00 0.31 0.00 0.00 61.69 60.11 2x32 s THR 20 Cb 0.00 -4.78 0.01 0.00 0.01 0.00 0.00 72.50 67.73 2x32 s THR 20 CO 0.00 -1.49 0.49 1.57 -0.69 0.00 0.00 174.62 174.50 2x32 n HIS 21 N 6.13 -1.71 -3.11 4.92 -0.00 -1.22 -4.92 115.22 115.31 2x32 n HIS 21 Ca 0.26 0.77 -0.43 0.00 -0.00 0.00 0.00 57.72 58.32 2x32 n HIS 21 Cb 0.48 -3.86 -0.06 0.00 -0.00 0.00 0.00 29.99 26.54 2x32 n HIS 21 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2x32 s VAL 22 N -3.87 4.81 -0.09 3.57 1.01 -0.07 -4.91 120.40 120.84 2x32 s VAL 22 Ca 0.03 -0.22 -0.12 0.00 0.00 0.00 0.00 61.98 61.67 2x32 s VAL 22 Cb -0.02 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 2x32 s VAL 22 CO 0.87 -0.77 0.30 -0.76 0.00 0.00 0.00 175.10 174.74 2x32 s LEU 23 N 2.83 4.37 -0.02 3.92 1.02 -1.26 -1.22 118.68 128.32 2x32 s LEU 23 Ca 0.19 0.67 0.00 0.00 0.02 0.00 0.00 54.13 55.01 2x32 s LEU 23 Cb -0.17 -2.38 0.02 0.00 0.02 0.00 0.00 46.19 43.68 2x32 s LEU 23 CO 0.15 0.26 0.01 -1.61 0.02 0.00 0.00 176.35 175.17 2x32 s GLU 24 N -0.48 0.12 -0.23 1.70 2.02 -0.72 -4.99 118.70 116.12 2x32 s GLU 24 Ca 0.19 0.07 -0.15 0.00 0.02 0.00 0.00 54.97 55.10 2x32 s GLU 24 Cb -0.14 -0.27 -0.04 0.00 0.10 0.00 0.00 34.13 33.78 2x32 s GLU 24 CO 0.07 -0.09 0.35 0.99 0.02 0.00 0.00 175.26 176.60 2x32 s THR 25 N 0.67 5.22 0.29 3.63 2.01 -1.26 -1.03 115.64 125.16 2x32 s THR 25 Ca -0.06 0.57 0.09 0.00 0.31 0.00 0.00 61.69 62.60 2x32 s THR 25 Cb -0.09 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 2x32 s THR 25 CO -0.02 0.24 0.06 -1.00 -0.69 0.00 0.00 174.62 173.21 2x32 s HIS 26 N 1.49 2.74 0.06 4.92 0.09 0.73 -4.94 115.29 120.37 2x32 s HIS 26 Ca 0.16 -0.26 0.04 0.00 -0.00 0.00 0.00 55.06 55.00 2x32 s HIS 26 Cb -0.15 -1.35 -0.03 0.00 -0.00 0.00 0.00 32.58 31.06 2x32 s HIS 26 CO 0.08 0.53 -0.12 1.03 -0.00 0.00 0.00 174.74 176.26 2x32 s ARG 27 N -3.74 0.75 -0.29 1.40 0.52 -0.81 -0.93 118.95 115.84 2x32 s ARG 27 Ca 0.33 -0.85 -0.10 0.00 -0.52 0.00 0.00 55.73 54.59 2x32 s ARG 27 Cb -0.05 -0.69 -0.03 0.00 0.52 0.00 0.00 34.95 34.70 2x32 s ARG 27 CO 0.21 0.15 0.16 -0.06 0.02 0.00 0.00 175.30 175.78 2x32 s PHE 28 N -1.20 3.17 -0.49 -0.53 0.08 -0.97 -0.27 117.98 117.77 2x32 s PHE 28 Ca -0.03 -0.30 0.26 0.00 0.12 0.00 0.00 56.93 56.98 2x32 s PHE 28 Cb -0.09 -2.35 0.75 0.00 -0.57 0.00 0.00 43.02 40.75 2x32 s PHE 28 CO 0.02 -0.34 1.74 -0.44 -0.10 0.00 0.00 175.22 176.10 2x32 h ASP 29 N 8.35 0.00 -3.26 1.36 3.32 -1.61 -3.41 116.42 121.17 2x32 h ASP 29 Ca -0.34 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.12 2x32 h ASP 29 Cb 1.17 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.35 2x32 h ASP 29 CO 0.59 0.00 -0.81 -0.69 -1.72 0.00 0.00 179.24 176.61 2x32 s VAL 30 N -3.24 1.44 0.08 -1.35 1.01 -1.26 -5.04 120.40 112.04 2x32 s VAL 30 Ca 0.07 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.42 2x32 s VAL 30 Cb 0.09 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 2x32 s VAL 30 CO 0.59 0.30 -0.20 -0.76 0.00 0.00 0.00 175.10 175.02 2x32 s LEU 31 N 1.51 2.25 0.17 3.92 1.43 -1.26 -1.76 118.68 124.94 2x32 s LEU 31 Ca 0.02 -0.62 -0.01 0.00 -1.03 0.00 0.00 54.13 52.49 2x32 s LEU 31 Cb -0.14 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.18 2x32 s LEU 31 CO -0.09 0.07 0.10 -0.94 0.23 0.00 0.00 176.35 175.73 2x32 s SER 32 N -1.63 0.22 0.00 2.29 1.04 -0.23 -4.67 113.70 110.71 2x32 s SER 32 Ca 0.06 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.19 2x32 s SER 32 Cb -0.09 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.37 2x32 s SER 32 CO 0.03 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.07 2x32 n GLY 33 N -0.19 -1.59 0.00 7.32 0.00 -1.26 -0.42 105.19 109.04 2x32 n GLY 33 Ca -0.01 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2x32 n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x32 n GLY 34 N -0.46 -0.62 2.94 -0.02 0.00 -1.04 -0.76 105.19 105.23 2x32 n GLY 34 Ca 0.00 -0.95 -0.27 0.00 0.00 0.00 0.00 46.02 44.80 2x32 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x32 s ILE 35 N -2.00 1.12 0.70 -0.61 1.01 0.08 -0.53 121.20 120.98 2x32 s ILE 35 Ca 0.00 -0.37 -0.11 0.00 0.00 0.00 0.00 60.65 60.17 2x32 s ILE 35 Cb 0.00 -1.10 0.01 0.00 0.01 0.00 0.00 42.46 41.38 2x32 s ILE 35 CO 0.00 0.38 1.06 -0.94 0.00 0.00 0.00 174.94 175.44 2x32 s SER 36 N 1.50 5.33 0.44 3.58 1.04 0.17 -0.38 113.70 125.39 2x32 s SER 36 Ca 0.02 1.54 0.30 0.00 0.48 0.00 0.00 55.95 58.29 2x32 s SER 36 Cb -0.13 -2.41 1.46 0.00 0.10 0.00 0.00 66.02 65.04 2x32 s SER 36 CO -0.07 -1.47 1.92 0.71 0.98 0.00 0.00 173.24 175.32 2x32 h THR 37 N -0.73 0.00 -0.04 2.02 1.35 -1.41 -0.71 112.91 113.39 2x32 h THR 37 Ca -0.44 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 2x32 h THR 37 Cb 1.22 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 2x32 h THR 37 CO 0.58 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.85 2x32 n ALA 38 N -1.92 2.61 -1.04 6.62 0.00 -1.26 -4.93 120.51 120.58 2x32 n ALA 38 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2x32 n ALA 38 Cb 0.16 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.32 2x32 n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x32 n GLY 39 N 1.01 0.78 3.45 0.00 0.00 -0.27 -4.94 105.19 105.21 2x32 n GLY 39 Ca 0.18 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 2x32 n GLY 39 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2x32 s GLU 40 N -2.27 3.36 0.06 1.61 2.12 -1.25 -0.34 118.70 121.98 2x32 s GLU 40 Ca 0.00 -0.71 -0.18 0.00 0.36 0.00 0.00 54.97 54.44 2x32 s GLU 40 Cb 0.00 -3.59 -0.06 0.00 0.26 0.00 0.00 34.13 30.74 2x32 s GLU 40 CO 0.00 -0.42 0.53 0.00 -0.54 0.00 0.00 175.26 174.84 2x32 s ALA 41 N 1.62 3.61 0.04 6.30 0.00 0.28 -0.66 121.76 132.96 2x32 s ALA 41 Ca 0.05 -0.02 0.04 0.00 0.00 0.00 0.00 51.96 52.03 2x32 s ALA 41 Cb -0.17 -2.58 -0.02 0.00 0.00 0.00 0.00 23.12 20.35 2x32 s ALA 41 CO 0.07 0.42 -0.13 -0.65 0.00 0.00 0.00 175.76 175.46 2x32 s GLN 42 N -1.10 0.87 -0.10 0.00 -0.21 0.31 -0.91 119.66 118.51 2x32 s GLN 42 Ca 0.28 -0.73 0.01 0.00 0.02 0.00 0.00 55.36 54.94 2x32 s GLN 42 Cb -0.19 -0.85 0.02 0.00 1.00 0.00 0.00 33.01 32.99 2x32 s GLN 42 CO 0.18 0.21 -0.10 -1.17 -2.12 0.00 0.00 175.29 172.29 2x32 s LEU 43 N -1.13 1.41 -0.20 2.90 2.96 -0.43 -2.48 118.68 121.70 2x32 s LEU 43 Ca 0.00 -0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 53.56 2x32 s LEU 43 Cb -0.08 -0.87 -0.01 0.00 0.50 0.00 0.00 46.19 45.72 2x32 s LEU 43 CO 0.01 -0.06 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.25 2x32 s VAL 44 N 1.31 3.52 -0.27 1.68 1.01 0.44 -0.58 120.40 127.50 2x32 s VAL 44 Ca -0.02 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 2x32 s VAL 44 Cb -0.14 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 2x32 s VAL 44 CO -0.04 0.44 0.10 -0.63 0.00 0.00 0.00 175.10 174.97 2x32 s ILE 45 N 1.12 4.39 -0.61 2.22 1.01 0.64 -1.07 121.20 128.91 2x32 s ILE 45 Ca 0.02 -0.29 -0.28 0.00 0.00 0.00 0.00 60.65 60.10 2x32 s ILE 45 Cb -0.15 -3.13 0.03 0.00 0.01 0.00 0.00 42.46 39.22 2x32 s ILE 45 CO -0.00 0.23 1.25 -0.62 0.00 0.00 0.00 174.94 175.80 2x32 s ASP 46 N 1.61 6.33 0.47 3.58 2.15 -0.72 -1.25 116.67 128.83 2x32 s ASP 46 Ca 0.05 0.02 0.30 0.00 0.43 0.00 0.00 52.55 53.35 2x32 s ASP 46 Cb -0.16 -2.55 1.05 0.00 -0.30 0.00 0.00 42.92 40.96 2x32 s ASP 46 CO 0.04 -1.60 1.85 -0.07 -0.17 0.00 0.00 175.17 175.23 2x32 h LEU 47 N 12.38 0.00 -0.26 -1.34 3.38 -1.25 -0.58 115.31 127.64 2x32 h LEU 47 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2x32 h LEU 47 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2x32 h LEU 47 CO 1.21 0.00 0.00 0.59 0.09 0.00 0.00 178.44 180.33 2x32 n ASN 48 N -2.95 0.23 -1.04 -0.43 3.02 -1.24 -2.91 115.26 109.94 2x32 n ASN 48 Ca 0.02 0.56 0.07 0.00 -0.03 0.00 0.00 54.58 55.20 2x32 n ASN 48 Cb 0.36 -0.61 0.23 0.00 -0.61 0.00 0.00 39.78 39.15 2x32 n ASN 48 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2x32 n SER 49 N -1.76 3.03 -4.68 6.41 3.41 -0.22 -4.94 113.62 114.88 2x32 n SER 49 Ca 0.03 -2.14 -0.44 0.00 -0.26 0.00 0.00 58.87 56.06 2x32 n SER 49 Cb 0.18 -0.40 -0.02 0.00 -0.26 0.00 0.00 64.21 63.71 2x32 n SER 49 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2x32 n VAL 50 N 0.85 1.22 -3.61 -3.33 3.14 -1.15 -1.61 118.33 113.85 2x32 n VAL 50 Ca 0.17 -0.30 -0.28 0.00 -2.96 0.00 0.00 64.34 60.97 2x32 n VAL 50 Cb 0.53 -1.49 -0.16 0.00 -1.06 0.00 0.00 33.84 31.66 2x32 n VAL 50 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 2x32 s ASN 51 N 0.13 3.13 0.00 6.55 3.84 0.63 -4.91 114.94 124.31 2x32 s ASN 51 Ca 0.65 -1.05 0.18 0.00 0.21 0.00 0.00 52.86 52.85 2x32 s ASN 51 Cb -0.63 -0.40 0.26 0.00 -0.55 0.00 0.00 41.25 39.93 2x32 s ASN 51 CO 0.53 -0.39 1.19 0.35 -2.79 0.00 0.00 177.10 175.98 2x32 n THR 52 N 5.19 0.32 -0.73 -5.21 -2.24 -1.26 -1.93 114.28 108.43 2x32 n THR 52 Ca -0.06 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 2x32 n THR 52 Cb 0.45 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 2x32 n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x32 n GLY 53 N 1.07 1.50 2.81 3.38 0.00 -1.26 -4.99 105.19 107.71 2x32 n GLY 53 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 2x32 n GLY 53 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x32 s ILE 54 N -3.71 0.64 0.16 -0.61 1.01 -1.26 -5.06 121.20 112.38 2x32 s ILE 54 Ca 0.00 -0.23 -0.14 0.00 0.00 0.00 0.00 60.65 60.29 2x32 s ILE 54 Cb 0.00 -0.86 0.05 0.00 0.01 0.00 0.00 42.46 41.66 2x32 s ILE 54 CO 0.00 0.15 1.75 0.44 0.00 0.00 0.00 174.94 177.28 2x32 h ASP 55 N 8.25 0.69 -0.80 3.58 3.32 -1.99 -0.26 116.42 129.20 2x32 h ASP 55 Ca -0.21 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 56.74 2x32 h ASP 55 Cb 1.12 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.45 2x32 h ASP 55 CO 0.33 0.61 0.52 0.58 -1.72 0.00 0.00 179.24 179.56 2x32 h VAL 56 N 0.71 1.16 -0.53 -1.35 2.07 -2.00 -1.75 116.25 114.56 2x32 h VAL 56 Ca 0.18 -0.35 -0.11 0.00 0.82 0.00 0.00 66.70 67.24 2x32 h VAL 56 Cb 0.10 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 2x32 h VAL 56 CO -0.02 0.19 -0.11 -0.09 0.02 0.00 0.00 177.57 177.55 2x32 h ARG 57 N 1.03 1.01 -0.76 1.57 2.43 -1.87 -1.72 114.38 116.06 2x32 h ARG 57 Ca 0.31 -0.38 0.09 0.00 -0.81 0.00 0.00 59.98 59.19 2x32 h ARG 57 Cb -0.05 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.37 2x32 h ARG 57 CO -0.09 1.06 0.41 -0.91 -1.51 0.00 0.00 179.97 178.93 2x32 h ASN 58 N 0.88 0.57 -0.54 -3.80 2.35 -0.64 0.75 115.58 115.15 2x32 h ASN 58 Ca 0.14 0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.88 2x32 h ASN 58 Cb 0.68 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 2x32 h ASN 58 CO 0.05 0.33 0.10 1.23 -1.65 0.00 0.00 177.43 177.49 2x32 h GLY 59 N 0.70 0.96 1.07 2.83 0.00 -0.84 -0.69 103.07 107.09 2x32 h GLY 59 Ca 0.37 -0.63 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 2x32 h GLY 59 CO -0.25 0.58 0.27 3.21 0.00 0.00 0.00 176.54 180.35 2x32 h ARG 60 N 0.78 1.17 -0.26 4.80 3.08 -0.75 0.51 114.38 123.70 2x32 h ARG 60 Ca 0.17 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 2x32 h ARG 60 Cb 0.39 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2x32 h ARG 60 CO 0.01 0.97 0.15 0.52 -1.07 0.00 0.00 179.97 180.56 2x32 h MET 61 N 1.13 0.36 -0.31 0.04 2.86 -0.49 -0.25 114.93 118.27 2x32 h MET 61 Ca 0.25 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 2x32 h MET 61 Cb 0.27 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 2x32 h MET 61 CO -0.01 0.29 0.09 0.00 1.06 0.00 0.00 176.91 178.34 2x32 h ARG 62 N 0.33 0.48 0.12 1.72 3.08 -0.79 -0.74 114.38 118.57 2x32 h ARG 62 Ca 0.09 -0.11 -0.28 0.00 0.07 0.00 0.00 59.98 59.76 2x32 h ARG 62 Cb 0.03 -0.07 0.03 0.00 0.08 0.00 0.00 29.97 30.04 2x32 h ARG 62 CO -0.02 0.53 -1.17 -0.44 -1.07 0.00 0.00 179.97 177.81 2x32 h ASP 63 N 0.33 0.82 0.00 7.04 3.32 -0.84 0.18 116.42 127.27 2x32 h ASP 63 Ca 0.10 -0.84 0.00 0.00 0.02 0.00 0.00 57.03 56.31 2x32 h ASP 63 Cb 0.26 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2x32 h ASP 63 CO -0.00 1.57 -1.06 -1.22 -1.72 0.00 0.00 179.24 176.81 2x32 n TYR 64 N -3.86 0.00 0.00 4.55 4.01 -0.11 -4.08 117.16 117.67 2x32 n TYR 64 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 2x32 n TYR 64 Cb 0.95 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.88 2x32 n TYR 64 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 2x32 n LEU 65 N -1.59 0.04 0.17 7.72 7.94 -0.96 -4.34 117.00 125.99 2x32 n LEU 65 Ca -0.01 0.07 0.04 0.00 -1.11 0.00 0.00 56.01 55.00 2x32 n LEU 65 Cb 0.14 -0.45 0.27 0.00 0.53 0.00 0.00 43.42 43.90 2x32 n LEU 65 CO 0.12 -0.45 0.62 -0.26 -1.11 0.00 0.00 177.39 176.30 2x32 h PHE 66 N 0.00 0.00 -5.69 1.96 0.04 -1.30 -3.46 116.94 108.49 2x32 h PHE 66 Ca 0.00 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.46 2x32 h PHE 66 Cb 0.00 0.00 0.16 0.00 2.20 0.00 0.00 35.95 38.31 2x32 h PHE 66 CO 0.00 0.44 -0.86 0.39 -0.60 0.00 0.00 178.31 177.68 2x32 n GLU 67 N -3.53 -2.89 0.27 1.51 1.02 -0.28 -4.52 120.64 112.22 2x32 n GLU 67 Ca -0.00 0.76 0.18 0.00 -0.02 0.00 0.00 57.16 58.08 2x32 n GLU 67 Cb 0.56 -5.45 0.85 0.00 -0.02 0.00 0.00 31.44 27.38 2x32 n GLU 67 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2x32 h THR 68 N -1.42 0.00 0.00 2.62 1.35 -1.16 -0.65 112.91 113.64 2x32 h THR 68 Ca -0.62 -0.21 -0.02 0.00 -0.55 0.00 0.00 66.41 65.01 2x32 h THR 68 Cb 1.33 1.10 -0.00 0.00 -1.73 0.00 0.00 68.15 68.85 2x32 h THR 68 CO 0.47 0.00 -0.11 0.00 -0.25 0.00 0.00 175.52 175.63 2x32 h ALA 69 N 2.04 1.55 0.02 6.62 0.00 -1.90 -3.03 119.26 124.56 2x32 h ALA 69 Ca 0.00 -0.10 -0.38 0.00 0.00 0.00 0.00 54.91 54.43 2x32 h ALA 69 Cb 0.23 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 2x32 h ALA 69 CO 0.00 0.14 -2.35 2.41 0.00 0.00 0.00 179.25 179.44 2x32 n THR 70 N -4.03 1.53 -3.81 0.00 -1.04 -0.44 -4.84 114.28 101.66 2x32 n THR 70 Ca -0.02 -0.64 -0.29 0.00 -2.04 0.00 0.00 64.05 61.06 2x32 n THR 70 Cb 0.20 -1.31 -0.13 0.00 -1.82 0.00 0.00 70.33 67.27 2x32 n THR 70 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2x32 s TYR 71 N -2.53 2.74 0.17 -1.42 2.02 -0.38 -4.96 117.35 112.99 2x32 s TYR 71 Ca -0.28 -2.92 0.06 0.00 -0.37 0.00 0.00 57.07 53.56 2x32 s TYR 71 Cb 0.08 -2.31 -0.02 0.00 -0.40 0.00 0.00 41.96 39.31 2x32 s TYR 71 CO 0.67 -0.70 1.38 0.66 -1.57 0.00 0.00 175.55 175.99 2x32 h SER 72 N 6.12 0.10 -4.41 2.29 4.64 -1.82 -3.34 113.55 117.13 2x32 h SER 72 Ca 0.05 -0.09 -0.33 0.00 -0.47 0.00 0.00 61.79 60.96 2x32 h SER 72 Cb 0.86 -0.03 -0.18 0.00 -0.31 0.00 0.00 62.40 62.73 2x32 h SER 72 CO 0.60 0.93 -0.74 0.68 -0.87 0.00 0.00 176.83 177.44 2x32 s VAL 73 N -3.07 0.94 -0.09 0.95 -7.23 -1.26 -0.75 120.40 109.89 2x32 s VAL 73 Ca -0.01 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 2x32 s VAL 73 Cb 0.10 -1.28 -0.03 0.00 0.56 0.00 0.00 36.38 35.74 2x32 s VAL 73 CO 0.81 -0.50 -0.08 0.00 -0.31 0.00 0.00 175.10 175.01 2x32 s ALA 74 N -2.22 2.88 -0.12 1.32 0.00 -0.38 -4.81 121.76 118.42 2x32 s ALA 74 Ca 0.04 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.12 2x32 s ALA 74 Cb -0.04 -1.25 0.01 0.00 0.00 0.00 0.00 23.12 21.84 2x32 s ALA 74 CO 0.00 0.45 -0.17 0.99 0.00 0.00 0.00 175.76 177.04 2x32 s THR 75 N -0.40 1.65 -0.15 0.00 2.01 -0.57 -0.26 115.64 117.92 2x32 s THR 75 Ca 0.06 -0.73 -0.05 0.00 0.31 0.00 0.00 61.69 61.27 2x32 s THR 75 Cb -0.12 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 2x32 s THR 75 CO 0.02 0.47 0.02 -0.69 -0.69 0.00 0.00 174.62 173.76 2x32 s VAL 76 N 0.97 4.47 -0.04 3.82 1.01 0.25 -0.64 120.40 130.25 2x32 s VAL 76 Ca -0.06 -0.16 0.06 0.00 0.00 0.00 0.00 61.98 61.82 2x32 s VAL 76 Cb -0.15 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 2x32 s VAL 76 CO -0.02 0.50 -0.20 0.42 0.00 0.00 0.00 175.10 175.80 2x32 s THR 77 N 0.09 1.65 -0.06 3.92 -4.23 -0.09 -1.32 115.64 115.61 2x32 s THR 77 Ca 0.03 -0.86 -0.03 0.00 -1.18 0.00 0.00 61.69 59.65 2x32 s THR 77 Cb -0.13 -1.40 0.04 0.00 1.34 0.00 0.00 72.50 72.36 2x32 s THR 77 CO 0.01 0.47 0.13 -0.69 -0.54 0.00 0.00 174.62 174.00 2x32 s VAL 78 N -0.22 -0.11 0.17 2.29 1.01 -0.09 -0.94 120.40 122.50 2x32 s VAL 78 Ca 0.01 0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.94 2x32 s VAL 78 Cb -0.11 -0.23 -0.08 0.00 0.00 0.00 0.00 36.38 35.96 2x32 s VAL 78 CO 0.01 0.10 1.23 -2.16 0.00 0.00 0.00 175.10 174.28 2x32 s PRO 79 N 1.54 4.46 0.04 2.72 0.04 -1.26 -0.56 135.00 141.98 2x32 s PRO 79 Ca -0.05 1.90 0.07 0.00 0.04 0.00 0.00 61.00 62.96 2x32 s PRO 79 Cb -0.12 -3.25 -0.02 0.00 0.04 0.00 0.00 34.50 31.15 2x32 s PRO 79 CO -0.05 -0.15 -0.19 0.08 0.04 0.00 0.00 177.00 176.73 2x32 s VAL 80 N 0.17 1.49 -0.66 -0.36 1.01 0.54 -4.91 120.40 117.69 2x32 s VAL 80 Ca 0.55 -1.15 -0.21 0.00 0.00 0.00 0.00 61.98 61.18 2x32 s VAL 80 Cb -0.33 -1.31 0.09 0.00 0.00 0.00 0.00 36.38 34.83 2x32 s VAL 80 CO 0.36 0.13 0.86 -0.62 0.00 0.00 0.00 175.10 175.83 2x32 s ASP 81 N -1.20 6.22 0.38 3.32 -1.08 -1.26 -4.61 116.67 118.45 2x32 s ASP 81 Ca 0.05 -1.30 0.08 0.00 -0.52 0.00 0.00 52.55 50.86 2x32 s ASP 81 Cb -0.09 -2.36 0.76 0.00 -1.46 0.00 0.00 42.92 39.77 2x32 s ASP 81 CO 0.02 -1.26 1.93 -0.07 0.52 0.00 0.00 175.17 176.31 2x32 h LEU 82 N 10.63 0.33 -0.84 -1.34 3.38 -1.96 -2.06 115.31 123.44 2x32 h LEU 82 Ca -0.25 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.56 2x32 h LEU 82 Cb 1.07 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 2x32 h LEU 82 CO 1.14 0.42 -0.27 0.00 0.09 0.00 0.00 178.44 179.82 2x32 h ALA 83 N 1.63 1.01 -0.28 1.53 0.00 -1.98 0.56 119.26 121.72 2x32 h ALA 83 Ca 0.08 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 2x32 h ALA 83 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2x32 h ALA 83 CO 0.01 0.59 -0.39 0.00 0.00 0.00 0.00 179.25 179.46 2x32 h ALA 84 N 1.22 0.79 -0.22 0.00 0.00 -1.82 -0.54 119.26 118.70 2x32 h ALA 84 Ca 0.07 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2x32 h ALA 84 Cb 0.72 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2x32 h ALA 84 CO 0.06 0.65 0.05 0.28 0.00 0.00 0.00 179.25 180.28 2x32 h VAL 85 N 0.54 1.22 -0.61 0.00 2.07 -1.28 -2.93 116.25 115.26 2x32 h VAL 85 Ca 0.05 -0.71 0.05 0.00 0.82 0.00 0.00 66.70 66.91 2x32 h VAL 85 Cb 0.92 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.92 2x32 h VAL 85 CO 0.08 0.22 0.40 0.00 0.02 0.00 0.00 177.57 178.30 2x32 h ALA 86 N 0.86 1.78 0.00 1.67 0.00 -0.68 -2.47 119.26 120.41 2x32 h ALA 86 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2x32 h ALA 86 Cb 0.29 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2x32 h ALA 86 CO 0.00 0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.79 2x32 n GLY 87 N -1.47 -1.23 3.71 0.00 0.00 -0.23 -4.79 105.19 101.18 2x32 n GLY 87 Ca 0.08 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2x32 n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x32 s LEU 88 N -2.98 4.36 0.65 0.99 1.43 -0.93 -5.00 118.68 117.20 2x32 s LEU 88 Ca 0.11 2.29 -0.14 0.00 -1.03 0.00 0.00 54.13 55.36 2x32 s LEU 88 Cb 0.14 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.77 2x32 s LEU 88 CO 0.39 -0.65 1.07 0.00 0.23 0.00 0.00 176.35 177.39 2x32 s ALA 89 N 1.27 2.62 0.19 4.21 0.00 -1.26 -4.93 121.76 123.86 2x32 s ALA 89 Ca 0.64 0.32 -0.32 0.00 0.00 0.00 0.00 51.96 52.60 2x32 s ALA 89 Cb -0.36 -3.23 -0.12 0.00 0.00 0.00 0.00 23.12 19.41 2x32 s ALA 89 CO 0.30 -1.11 1.73 0.28 0.00 0.00 0.00 175.76 176.96 2x32 n VAL 90 N -2.57 0.06 0.00 0.00 0.31 -1.26 -0.77 118.33 114.10 2x32 n VAL 90 Ca 0.09 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 2x32 n VAL 90 Cb 0.53 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 2x32 n VAL 90 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2x32 n GLY 91 N 3.96 2.28 3.80 2.92 0.00 0.61 -5.02 105.19 113.74 2x32 n GLY 91 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 2x32 n GLY 91 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2x32 s GLU 92 N -0.37 4.39 0.38 1.61 2.12 0.05 -4.79 118.70 122.10 2x32 s GLU 92 Ca 0.00 1.24 0.08 0.00 0.36 0.00 0.00 54.97 56.65 2x32 s GLU 92 Cb 0.00 -2.49 -0.06 0.00 0.26 0.00 0.00 34.13 31.83 2x32 s GLU 92 CO 0.00 0.11 0.03 0.16 -0.54 0.00 0.00 175.26 175.02 2x32 s ASP 93 N -1.88 4.06 0.01 -1.70 -4.77 -1.26 -1.50 116.67 109.64 2x32 s ASP 93 Ca 0.56 -1.17 -0.11 0.00 -3.30 0.00 0.00 52.55 48.53 2x32 s ASP 93 Cb -0.14 -0.45 0.01 0.00 -1.09 0.00 0.00 42.92 41.25 2x32 s ASP 93 CO 0.19 -0.37 0.22 0.00 0.70 0.00 0.00 175.17 175.91 2x32 s MET 94 N -3.74 0.62 -0.04 2.11 0.23 0.09 -4.98 119.30 113.58 2x32 s MET 94 Ca 0.36 -0.39 -0.16 0.00 -1.03 0.00 0.00 55.69 54.46 2x32 s MET 94 Cb 0.05 0.26 -0.05 0.00 -1.53 0.00 0.00 34.83 33.56 2x32 s MET 94 CO 0.19 -0.17 0.44 -0.51 -2.03 0.00 0.00 175.02 172.94 2x32 s LEU 95 N -1.58 4.40 -0.12 0.18 1.43 -1.26 -1.25 118.68 120.48 2x32 s LEU 95 Ca -0.11 0.92 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 2x32 s LEU 95 Cb -0.05 -2.64 0.02 0.00 0.03 0.00 0.00 46.19 43.56 2x32 s LEU 95 CO 0.01 0.20 -0.10 -0.69 0.23 0.00 0.00 176.35 176.00 2x32 s VAL 96 N -0.45 1.24 -0.38 -1.59 1.01 0.05 -4.97 120.40 115.30 2x32 s VAL 96 Ca 0.25 -0.43 -0.24 0.00 0.00 0.00 0.00 61.98 61.56 2x32 s VAL 96 Cb -0.16 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.03 2x32 s VAL 96 CO 0.12 0.40 0.85 -1.81 0.00 0.00 0.00 175.10 174.66 2x32 s ASP 97 N 1.56 6.57 0.14 3.32 1.01 -1.26 -0.67 116.67 127.35 2x32 s ASP 97 Ca 0.04 0.36 0.08 0.00 0.71 0.00 0.00 52.55 53.73 2x32 s ASP 97 Cb -0.13 -2.42 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 2x32 s ASP 97 CO -0.08 -0.83 -0.07 0.68 0.21 0.00 0.00 175.17 175.08 2x32 s VAL 98 N 3.31 3.40 -0.46 -1.27 -7.23 0.08 -5.00 120.40 113.24 2x32 s VAL 98 Ca 0.34 -1.43 -0.02 0.00 -1.81 0.00 0.00 61.98 59.06 2x32 s VAL 98 Cb -0.12 -2.65 0.12 0.00 0.56 0.00 0.00 36.38 34.29 2x32 s VAL 98 CO 0.19 -0.01 0.25 -0.44 -0.31 0.00 0.00 175.10 174.78 2x32 s SER 99 N -2.58 5.21 -0.11 4.85 0.01 -1.26 -1.89 113.70 117.93 2x32 s SER 99 Ca 0.24 -2.25 -0.10 0.00 1.31 0.00 0.00 55.95 55.15 2x32 s SER 99 Cb -0.10 -1.82 -0.05 0.00 0.21 0.00 0.00 66.02 64.26 2x32 s SER 99 CO 0.15 -0.49 0.22 0.00 0.41 0.00 0.00 173.24 173.53 2x32 s ALA 100 N 0.82 3.77 -0.16 1.44 0.00 0.01 -4.63 121.76 123.01 2x32 s ALA 100 Ca 0.11 -0.53 -0.17 0.00 0.00 0.00 0.00 51.96 51.36 2x32 s ALA 100 Cb -0.22 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 2x32 s ALA 100 CO -0.04 0.44 0.43 0.95 0.00 0.00 0.00 175.76 177.55 2x32 s THR 101 N -0.61 5.20 -0.25 0.00 -4.23 -0.12 0.55 115.64 116.18 2x32 s THR 101 Ca 0.16 0.82 -0.05 0.00 -1.18 0.00 0.00 61.69 61.44 2x32 s THR 101 Cb -0.13 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 69.94 2x32 s THR 101 CO 0.05 0.29 0.01 -0.22 -0.54 0.00 0.00 174.62 174.21 2x32 s LEU 102 N 0.97 3.32 -0.59 4.79 2.96 0.31 -0.91 118.68 129.53 2x32 s LEU 102 Ca 0.22 -0.55 -0.16 0.00 -0.22 0.00 0.00 54.13 53.43 2x32 s LEU 102 Cb -0.15 -1.80 0.15 0.00 0.50 0.00 0.00 46.19 44.89 2x32 s LEU 102 CO 0.08 -0.09 0.55 -0.62 -1.32 0.00 0.00 176.35 174.95 2x32 s ASP 103 N 1.48 6.29 -0.04 3.68 2.15 0.19 -1.36 116.67 129.06 2x32 s ASP 103 Ca 0.04 -1.95 0.01 0.00 0.43 0.00 0.00 52.55 51.08 2x32 s ASP 103 Cb -0.16 -2.21 0.02 0.00 -0.30 0.00 0.00 42.92 40.27 2x32 s ASP 103 CO -0.01 -0.81 -0.06 -0.22 -0.17 0.00 0.00 175.17 173.90 2x32 s LEU 104 N 1.36 1.46 -1.52 -1.34 2.96 -1.26 -1.51 118.68 118.82 2x32 s LEU 104 Ca 0.06 -0.16 -0.14 0.00 -0.22 0.00 0.00 54.13 53.67 2x32 s LEU 104 Cb -0.26 -0.52 0.09 0.00 0.50 0.00 0.00 46.19 46.00 2x32 s LEU 104 CO 0.01 -0.02 0.86 1.57 -1.32 0.00 0.00 176.35 177.44 2x32 n HIS 105 N 3.88 -2.12 -1.18 5.38 -0.00 -1.26 -1.72 115.22 118.20 2x32 n HIS 105 Ca -0.24 0.80 -0.06 0.00 -0.00 0.00 0.00 57.72 58.22 2x32 n HIS 105 Cb 0.51 -3.67 -0.03 0.00 -0.00 0.00 0.00 29.99 26.81 2x32 n HIS 105 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2x32 n GLY 106 N -1.55 0.79 2.69 1.57 0.00 -1.26 -4.82 105.19 102.60 2x32 n GLY 106 Ca 0.03 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 2x32 n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x32 s VAL 107 N -1.99 1.54 0.33 1.61 1.01 -0.70 -5.11 120.40 117.09 2x32 s VAL 107 Ca 0.00 -2.98 -0.29 0.00 0.00 0.00 0.00 61.98 58.71 2x32 s VAL 107 Cb 0.00 -2.05 -0.12 0.00 0.00 0.00 0.00 36.38 34.21 2x32 s VAL 107 CO 0.00 -0.99 1.50 -2.65 0.00 0.00 0.00 175.10 172.96 2x32 n PRO 108 N 3.03 2.56 -3.92 2.72 -0.02 -1.26 -4.27 135.00 133.84 2x32 n PRO 108 Ca 0.16 0.90 -0.09 0.00 -2.02 0.00 0.00 63.50 62.45 2x32 n PRO 108 Cb 0.37 -2.63 -0.08 0.00 -0.02 0.00 0.00 33.50 31.15 2x32 n PRO 108 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2x32 s GLY 109 N 0.14 0.26 -0.17 -1.23 0.00 -0.46 -4.98 107.32 100.88 2x32 s GLY 109 Ca 0.59 -0.79 -0.08 0.00 0.00 0.00 0.00 44.72 44.44 2x32 s GLY 109 CO 0.56 -0.91 0.09 0.14 0.00 0.00 0.00 173.10 172.98 2x32 s VAL 110 N -3.90 5.09 -0.34 1.40 1.01 -1.26 -0.53 120.40 121.87 2x32 s VAL 110 Ca 0.08 0.07 -0.09 0.00 0.00 0.00 0.00 61.98 62.04 2x32 s VAL 110 Cb 0.05 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 33.18 2x32 s VAL 110 CO -0.08 0.50 0.16 -0.63 0.00 0.00 0.00 175.10 175.04 2x32 s ILE 111 N -0.01 4.32 -0.49 2.22 1.01 0.19 -4.93 121.20 123.52 2x32 s ILE 111 Ca 0.08 -0.80 -0.20 0.00 0.00 0.00 0.00 60.65 59.72 2x32 s ILE 111 Cb -0.12 -3.35 0.04 0.00 0.01 0.00 0.00 42.46 39.05 2x32 s ILE 111 CO 0.00 -0.11 0.66 -1.81 0.00 0.00 0.00 174.94 173.68 2x32 s ASP 112 N 1.53 6.27 0.33 3.58 1.01 -1.26 -0.81 116.67 127.31 2x32 s ASP 112 Ca 0.02 -0.66 -0.07 0.00 0.71 0.00 0.00 52.55 52.55 2x32 s ASP 112 Cb -0.18 -2.31 0.01 0.00 1.01 0.00 0.00 42.92 41.44 2x32 s ASP 112 CO 0.05 -0.88 0.52 0.28 0.21 0.00 0.00 175.17 175.35 2x32 s THR 113 N 2.82 0.00 -0.11 -1.27 -1.32 -0.79 -5.00 115.64 109.97 2x32 s THR 113 Ca 0.19 -1.47 0.02 0.00 -1.21 0.00 0.00 61.69 59.22 2x32 s THR 113 Cb -0.17 -2.58 -0.01 0.00 -1.51 0.00 0.00 72.50 68.24 2x32 s THR 113 CO 0.15 0.00 -0.18 -1.58 -2.21 0.00 0.00 174.62 170.80 2x32 s GLN 114 N -3.18 3.12 0.04 7.08 0.74 -1.26 -0.74 119.66 125.46 2x32 s GLN 114 Ca 0.27 -0.78 0.03 0.00 0.05 0.00 0.00 55.36 54.92 2x32 s GLN 114 Cb -0.01 -2.45 -0.04 0.00 1.10 0.00 0.00 33.01 31.62 2x32 s GLN 114 CO 0.16 0.24 0.00 -0.51 -0.55 0.00 0.00 175.29 174.64 2x32 s LEU 115 N 0.23 3.51 -0.25 3.68 1.43 0.16 -1.48 118.68 125.95 2x32 s LEU 115 Ca -0.12 -0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 52.81 2x32 s LEU 115 Cb -0.16 -2.10 -0.05 0.00 0.03 0.00 0.00 46.19 43.90 2x32 s LEU 115 CO 0.06 0.24 0.17 0.21 0.23 0.00 0.00 176.35 177.26 2x32 s ASN 116 N -1.86 6.10 -0.17 2.29 3.84 0.21 -0.77 114.94 124.58 2x32 s ASN 116 Ca 0.22 0.09 0.01 0.00 0.21 0.00 0.00 52.86 53.39 2x32 s ASN 116 Cb -0.12 -2.11 0.01 0.00 -0.55 0.00 0.00 41.25 38.48 2x32 s ASN 116 CO 0.14 0.04 -0.18 -0.69 -2.79 0.00 0.00 177.10 173.61 2x32 s VAL 117 N 1.22 2.32 -0.05 -5.21 1.01 -0.38 -1.22 120.40 118.09 2x32 s VAL 117 Ca 0.08 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.22 2x32 s VAL 117 Cb -0.14 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.27 2x32 s VAL 117 CO 0.06 0.53 -0.16 -1.58 0.00 0.00 0.00 175.10 173.95 2x32 s GLN 118 N 1.07 1.79 -0.07 2.72 0.74 -0.01 -0.74 119.66 125.17 2x32 s GLN 118 Ca -0.00 -0.55 -0.28 0.00 0.05 0.00 0.00 55.36 54.58 2x32 s GLN 118 Cb -0.14 -1.51 -0.02 0.00 1.10 0.00 0.00 33.01 32.43 2x32 s GLN 118 CO -0.06 0.16 0.91 0.50 -0.55 0.00 0.00 175.29 176.25 2x32 s ARG 119 N 0.26 4.46 -0.13 1.67 3.52 -0.56 -0.74 118.95 127.43 2x32 s ARG 119 Ca -0.08 1.25 0.19 0.00 -0.13 0.00 0.00 55.73 56.96 2x32 s ARG 119 Cb -0.13 -3.50 -0.28 0.00 -1.56 0.00 0.00 34.95 29.48 2x32 s ARG 119 CO 0.03 -0.14 0.22 1.28 -0.81 0.00 0.00 175.30 175.88 2x32 n LEU 120 N 4.36 0.00 0.00 -0.88 4.77 -0.17 -0.28 117.00 124.80 2x32 n LEU 120 Ca 0.05 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.99 2x32 n LEU 120 Cb 0.50 0.31 0.01 0.00 -2.33 0.00 0.00 43.42 41.92 2x32 n LEU 120 CO 0.50 0.31 0.29 -1.54 -1.33 0.00 0.00 177.39 175.62 2x32 n SER 121 N -2.56 -1.14 0.32 -1.43 3.41 -1.09 -4.70 113.62 106.43 2x32 n SER 121 Ca -0.22 -1.77 0.20 0.00 -0.26 0.00 0.00 58.87 56.83 2x32 n SER 121 Cb 0.93 1.89 1.04 0.00 -0.26 0.00 0.00 64.21 67.81 2x32 n SER 121 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2x32 h ALA 122 N 2.00 1.06 0.00 7.33 0.00 -1.99 -3.17 119.26 124.50 2x32 h ALA 122 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2x32 h ALA 122 Cb 0.63 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2x32 h ALA 122 CO 0.21 0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.73 2x32 n THR 123 N -3.19 0.00 -5.06 0.00 -2.24 -1.26 -4.99 114.28 97.55 2x32 n THR 123 Ca -0.02 -0.46 -0.29 0.00 -2.27 0.00 0.00 64.05 61.01 2x32 n THR 123 Cb 0.14 1.01 -0.16 0.00 -2.10 0.00 0.00 70.33 69.22 2x32 n THR 123 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2x32 s ARG 124 N -0.77 2.17 0.14 -0.78 3.52 -1.20 -0.93 118.95 121.10 2x32 s ARG 124 Ca 0.00 -0.76 0.07 0.00 -0.13 0.00 0.00 55.73 54.90 2x32 s ARG 124 Cb 0.00 -1.86 -0.04 0.00 -1.56 0.00 0.00 34.95 31.49 2x32 s ARG 124 CO 0.00 0.32 -0.15 0.96 -0.81 0.00 0.00 175.30 175.62 2x32 s ILE 125 N -0.07 1.46 -0.12 4.11 -4.36 0.08 -1.00 121.20 121.30 2x32 s ILE 125 Ca -0.04 -1.79 0.03 0.00 -0.26 0.00 0.00 60.65 58.60 2x32 s ILE 125 Cb -0.13 -1.63 0.00 0.00 1.25 0.00 0.00 42.46 41.96 2x32 s ILE 125 CO 0.03 -0.40 -0.22 -0.32 0.24 0.00 0.00 174.94 174.26 2x32 s MET 126 N -2.76 3.07 -0.10 0.37 -2.45 0.08 -1.04 119.30 116.48 2x32 s MET 126 Ca 0.11 -0.85 0.03 0.00 -1.25 0.00 0.00 55.69 53.73 2x32 s MET 126 Cb -0.05 -2.39 0.01 0.00 1.25 0.00 0.00 34.83 33.65 2x32 s MET 126 CO 0.04 0.10 -0.18 0.08 1.05 0.00 0.00 175.02 176.11 2x32 s VAL 127 N 0.55 1.63 0.03 10.11 1.01 0.57 -0.83 120.40 133.48 2x32 s VAL 127 Ca -0.13 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 2x32 s VAL 127 Cb -0.17 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 2x32 s VAL 127 CO 0.04 0.47 0.00 -1.10 0.00 0.00 0.00 175.10 174.51 2x32 s GLN 128 N 0.65 0.46 0.12 2.72 -0.21 -0.35 -0.63 119.66 122.40 2x32 s GLN 128 Ca -0.13 -0.80 -0.31 0.00 0.02 0.00 0.00 55.36 54.14 2x32 s GLN 128 Cb -0.16 0.17 -0.09 0.00 1.00 0.00 0.00 33.01 33.93 2x32 s GLN 128 CO 0.04 -0.09 1.53 0.54 -2.12 0.00 0.00 175.29 175.19 2x32 s ASN 129 N -1.99 6.67 0.30 5.90 4.22 -1.24 -0.62 114.94 128.19 2x32 s ASN 129 Ca -0.07 2.47 0.12 0.00 -2.14 0.00 0.00 52.86 53.24 2x32 s ASN 129 Cb -0.03 -2.58 0.46 0.00 1.28 0.00 0.00 41.25 40.38 2x32 s ASN 129 CO -0.04 -0.79 1.66 -0.61 -2.04 0.00 0.00 177.10 175.28 2x32 h GLN 130 N 7.26 0.00 -4.70 3.55 5.75 -1.56 -3.45 115.11 121.96 2x32 h GLN 130 Ca -0.42 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 57.81 2x32 h GLN 130 Cb 1.20 0.00 -0.15 0.00 1.07 0.00 0.00 27.48 29.61 2x32 h GLN 130 CO 0.91 0.54 -0.65 -1.54 -2.65 0.00 0.00 178.83 175.44 2x32 s SER 131 N -6.78 0.94 0.20 -0.69 1.04 -1.26 -5.00 113.70 102.14 2x32 s SER 131 Ca -0.01 -1.21 -0.32 0.00 0.48 0.00 0.00 55.95 54.89 2x32 s SER 131 Cb 0.13 0.18 -0.15 0.00 0.10 0.00 0.00 66.02 66.27 2x32 s SER 131 CO 0.74 -0.64 1.21 -2.65 0.98 0.00 0.00 173.24 172.89 2x32 n PRO 132 N -0.23 1.41 -4.04 4.02 -0.02 -1.26 -4.94 135.00 129.94 2x32 n PRO 132 Ca -0.05 0.50 -0.31 0.00 -2.02 0.00 0.00 63.50 61.62 2x32 n PRO 132 Cb 0.64 -2.03 -0.16 0.00 -0.02 0.00 0.00 33.50 31.93 2x32 n PRO 132 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2x32 s LEU 133 N 0.49 2.03 -0.10 2.45 2.96 -1.25 -5.05 118.68 120.22 2x32 s LEU 133 Ca 0.71 -0.68 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 2x32 s LEU 133 Cb -0.79 -1.28 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 2x32 s LEU 133 CO 0.52 -0.07 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.62 2x32 s LEU 134 N 1.40 2.91 -0.09 -0.68 1.02 -1.26 -0.15 118.68 121.82 2x32 s LEU 134 Ca 0.03 -0.19 -0.01 0.00 0.02 0.00 0.00 54.13 53.98 2x32 s LEU 134 Cb -0.14 -1.64 -0.03 0.00 0.02 0.00 0.00 46.19 44.40 2x32 s LEU 134 CO -0.10 0.26 -0.05 -0.63 0.02 0.00 0.00 176.35 175.85 2x32 s ILE 135 N -0.18 3.88 -0.25 -0.59 -1.09 -0.01 -4.94 121.20 118.02 2x32 s ILE 135 Ca 0.01 -0.40 -0.10 0.00 -2.23 0.00 0.00 60.65 57.93 2x32 s ILE 135 Cb -0.13 -2.62 -0.05 0.00 -1.58 0.00 0.00 42.46 38.08 2x32 s ILE 135 CO 0.03 0.57 0.15 -0.54 -1.23 0.00 0.00 174.94 173.92 2x32 s LYS 136 N -0.53 3.94 0.40 2.79 1.02 -1.26 -0.13 119.74 125.97 2x32 s LYS 136 Ca 0.08 -0.33 0.13 0.00 0.02 0.00 0.00 55.97 55.87 2x32 s LYS 136 Cb -0.12 -3.53 0.96 0.00 -0.52 0.00 0.00 37.83 34.63 2x32 s LYS 136 CO 0.02 -0.07 1.92 0.00 -0.92 0.00 0.00 175.35 176.30 2x32 h ALA 137 N 7.95 1.99 0.00 5.17 0.00 -1.24 -1.30 119.26 131.82 2x32 h ALA 137 Ca -0.37 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 2x32 h ALA 137 Cb 1.18 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2x32 h ALA 137 CO 0.60 -0.18 -0.13 0.00 0.00 0.00 0.00 179.25 179.53 2x32 h ALA 138 N 1.64 1.33 0.00 0.00 0.00 -1.91 -0.82 119.26 119.49 2x32 h ALA 138 Ca 0.37 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2x32 h ALA 138 Cb 0.71 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2x32 h ALA 138 CO -0.13 0.17 -0.02 -0.44 0.00 0.00 0.00 179.25 178.83 2x32 h ASP 139 N 0.00 0.00 0.00 0.00 3.32 -1.64 -2.89 116.42 115.21 2x32 h ASP 139 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2x32 h ASP 139 Cb 0.35 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2x32 h ASP 139 CO 0.02 0.02 -0.30 -1.22 -1.72 0.00 0.00 179.24 176.03 2x32 n TYR 140 N -3.17 0.00 -3.69 4.55 4.01 -0.66 -4.93 117.16 113.27 2x32 n TYR 140 Ca -0.01 -1.13 -0.27 0.00 -0.16 0.00 0.00 57.90 56.32 2x32 n TYR 140 Cb 0.20 -0.19 0.03 0.00 -0.31 0.00 0.00 39.34 39.07 2x32 n TYR 140 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2x32 n SER 141 N -1.11 -5.16 -0.61 7.72 7.64 -1.09 -4.71 113.62 116.28 2x32 n SER 141 Ca 0.16 -0.63 0.10 0.00 1.01 0.00 0.00 58.87 59.51 2x32 n SER 141 Cb 0.69 -4.13 0.03 0.00 -1.01 0.00 0.00 64.21 59.80 2x32 n SER 141 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2x32 n LEU 142 N -4.57 2.25 -0.25 -3.43 4.77 -0.40 -4.54 117.00 110.83 2x32 n LEU 142 Ca 0.01 -0.85 -0.04 0.00 -0.03 0.00 0.00 56.01 55.10 2x32 n LEU 142 Cb 0.54 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.74 2x32 n LEU 142 CO 0.68 0.40 1.06 -0.33 -1.33 0.00 0.00 177.39 177.87 2x32 h GLU 143 N 3.00 1.10 -0.56 3.23 5.08 -1.91 -2.30 114.58 122.22 2x32 h GLU 143 Ca 0.00 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.10 2x32 h GLU 143 Cb 0.78 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 2x32 h GLU 143 CO 0.00 0.89 0.06 0.00 -1.00 0.00 0.00 179.01 178.96 2x32 h ALA 144 N 1.25 1.06 -0.63 3.43 0.00 -1.95 -0.92 119.26 121.49 2x32 h ALA 144 Ca 0.25 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2x32 h ALA 144 Cb 0.20 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2x32 h ALA 144 CO -0.02 0.60 0.19 0.78 0.00 0.00 0.00 179.25 180.80 2x32 h GLY 145 N 1.00 1.06 1.10 0.00 0.00 -1.70 -0.84 103.07 103.70 2x32 h GLY 145 Ca 0.17 -0.63 0.01 0.00 0.00 0.00 0.00 47.33 46.88 2x32 h GLY 145 CO 0.01 0.59 0.60 -2.22 0.00 0.00 0.00 176.54 175.52 2x32 h ILE 146 N 0.91 1.23 -0.66 2.60 2.04 -1.00 -1.28 117.51 121.35 2x32 h ILE 146 Ca 0.20 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 2x32 h ILE 146 Cb 0.30 -0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.25 2x32 h ILE 146 CO -0.01 0.22 0.29 -0.33 0.00 0.00 0.00 178.15 178.32 2x32 h GLU 147 N 1.22 0.98 -0.22 2.37 4.39 -0.61 0.14 114.58 122.85 2x32 h GLU 147 Ca 0.33 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.87 2x32 h GLU 147 Cb -0.13 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.34 2x32 h GLU 147 CO -0.07 0.80 0.14 1.15 -1.16 0.00 0.00 179.01 179.87 2x32 h THR 148 N 0.93 1.06 -0.96 1.13 2.02 -0.78 0.21 112.91 116.52 2x32 h THR 148 Ca 0.22 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.29 2x32 h THR 148 Cb 0.17 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.29 2x32 h THR 148 CO -0.02 0.06 0.60 -0.07 0.37 0.00 0.00 175.52 176.46 2x32 h LEU 149 N 0.29 1.13 -0.04 2.58 3.38 -0.73 0.26 115.31 122.17 2x32 h LEU 149 Ca 0.08 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2x32 h LEU 149 Cb -0.02 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 2x32 h LEU 149 CO -0.02 0.85 0.02 -0.09 0.09 0.00 0.00 178.44 179.29 2x32 h ARG 150 N 1.31 0.06 -0.21 1.13 2.43 -0.32 -1.96 114.38 116.81 2x32 h ARG 150 Ca 0.35 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.40 2x32 h ARG 150 Cb -0.10 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 2x32 h ARG 150 CO -0.07 0.18 -0.32 -0.91 -1.51 0.00 0.00 179.97 177.34 2x32 h ASN 151 N -0.07 0.45 0.08 -3.80 -0.26 -0.61 -0.92 115.58 110.45 2x32 h ASN 151 Ca 0.01 -0.17 -0.09 0.00 -0.56 0.00 0.00 56.30 55.49 2x32 h ASN 151 Cb 0.14 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.26 2x32 h ASN 151 CO -0.00 0.74 -0.30 -0.07 -1.06 0.00 0.00 177.43 176.75 2x32 h LEU 152 N 0.38 0.33 -0.54 1.61 3.38 -0.80 -2.75 115.31 116.92 2x32 h LEU 152 Ca 0.05 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2x32 h LEU 152 Cb 0.74 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2x32 h LEU 152 CO 0.06 0.63 -0.14 0.00 0.09 0.00 0.00 178.44 179.07 2x32 n ALA 153 N -2.48 2.85 -3.15 1.53 0.00 -0.75 -4.96 120.51 113.54 2x32 n ALA 153 Ca -0.01 -0.37 -0.23 0.00 0.00 0.00 0.00 53.44 52.83 2x32 n ALA 153 Cb 0.41 -1.21 0.02 0.00 0.00 0.00 0.00 19.45 18.68 2x32 n ALA 153 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2x32 n SER 154 N -0.50 -5.23 -4.89 0.00 7.64 -0.58 -4.97 113.62 105.10 2x32 n SER 154 Ca 0.15 -0.32 -0.31 0.00 1.01 0.00 0.00 58.87 59.40 2x32 n SER 154 Cb 0.32 -4.25 -0.04 0.00 -1.01 0.00 0.00 64.21 59.23 2x32 n SER 154 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2x32 s LEU 155 N -6.62 4.12 0.04 -3.43 1.43 -0.46 -5.01 118.68 108.75 2x32 s LEU 155 Ca 0.34 0.83 -0.16 0.00 -1.03 0.00 0.00 54.13 54.11 2x32 s LEU 155 Cb -0.16 -3.62 -0.29 0.00 0.03 0.00 0.00 46.19 42.14 2x32 s LEU 155 CO 0.42 -0.13 1.07 -0.55 0.23 0.00 0.00 176.35 177.40 2x32 h ASN 156 N 2.18 0.80 -3.67 2.29 -1.07 -1.93 -3.44 115.58 110.75 2x32 h ASN 156 Ca -0.47 -0.84 -0.15 0.00 0.07 0.00 0.00 56.30 54.91 2x32 h ASN 156 Cb 1.18 -0.25 -0.26 0.00 -2.07 0.00 0.00 38.32 36.91 2x32 h ASN 156 CO 0.68 1.56 -0.36 0.54 0.07 0.00 0.00 177.43 179.92 2x32 s VAL 157 N -2.92 -0.01 -0.07 6.14 0.11 -1.26 -5.03 120.40 117.36 2x32 s VAL 157 Ca -0.10 0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.01 2x32 s VAL 157 Cb 0.05 -0.46 0.01 0.00 -1.53 0.00 0.00 36.38 34.45 2x32 s VAL 157 CO 0.91 0.02 -0.11 -0.63 -3.33 0.00 0.00 175.10 171.96 2x32 s ILE 158 N 0.55 1.07 0.43 7.04 1.01 -1.26 -1.06 121.20 128.99 2x32 s ILE 158 Ca -0.03 -0.43 -0.24 0.00 0.00 0.00 0.00 60.65 59.94 2x32 s ILE 158 Cb -0.05 -1.00 -0.08 0.00 0.01 0.00 0.00 42.46 41.35 2x32 s ILE 158 CO -0.03 0.34 1.23 -0.55 0.00 0.00 0.00 174.94 175.93 2x32 s SER 159 N 0.77 6.21 0.00 3.58 0.15 0.50 -4.93 113.70 119.98 2x32 s SER 159 Ca -0.13 2.48 0.23 0.00 0.70 0.00 0.00 55.95 59.23 2x32 s SER 159 Cb -0.15 -2.62 0.60 0.00 -1.71 0.00 0.00 66.02 62.13 2x32 s SER 159 CO 0.02 -0.90 1.48 0.35 1.20 0.00 0.00 173.24 175.39 2x32 n THR 160 N -0.19 0.26 -4.25 6.45 -2.24 -1.26 -4.69 114.28 108.36 2x32 n THR 160 Ca 0.06 -0.49 -0.34 0.00 -2.27 0.00 0.00 64.05 61.00 2x32 n THR 160 Cb 0.46 0.75 -0.10 0.00 -2.10 0.00 0.00 70.33 69.33 2x32 n THR 160 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2x32 s THR 161 N -1.74 4.38 -0.21 4.28 2.01 -1.26 -0.59 115.64 122.50 2x32 s THR 161 Ca 0.34 -0.20 -0.01 0.00 0.31 0.00 0.00 61.69 62.14 2x32 s THR 161 Cb 0.20 -2.91 0.06 0.00 0.01 0.00 0.00 72.50 69.86 2x32 s THR 161 CO 0.29 0.53 -0.01 -0.69 -0.69 0.00 0.00 174.62 174.05 2x32 s VAL 162 N -0.10 1.06 0.29 3.82 1.01 0.82 -4.72 120.40 122.57 2x32 s VAL 162 Ca 0.05 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 2x32 s VAL 162 Cb -0.13 -1.43 -0.10 0.00 0.00 0.00 0.00 36.38 34.72 2x32 s VAL 162 CO 0.02 -0.14 1.42 -2.84 0.00 0.00 0.00 175.10 173.56 2x32 s PRO 163 N 1.61 4.26 -0.05 2.72 0.02 -1.25 -0.83 135.00 141.48 2x32 s PRO 163 Ca -0.03 2.34 0.05 0.00 0.02 0.00 0.00 61.00 63.38 2x32 s PRO 163 Cb -0.18 -3.07 -0.01 0.00 0.02 0.00 0.00 34.50 31.26 2x32 s PRO 163 CO -0.07 -0.39 -0.20 0.08 -0.33 0.00 0.00 177.00 176.08 2x32 s VAL 164 N -0.46 1.70 0.03 3.83 1.01 0.78 -1.31 120.40 125.98 2x32 s VAL 164 Ca 0.56 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.72 2x32 s VAL 164 Cb -0.42 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 2x32 s VAL 164 CO 0.49 0.48 -0.13 -1.81 0.00 0.00 0.00 175.10 174.13 2x32 s ASP 165 N -0.01 1.59 -0.01 3.32 1.01 -0.56 -3.93 116.67 118.08 2x32 s ASP 165 Ca -0.05 -0.42 -0.13 0.00 0.71 0.00 0.00 52.55 52.66 2x32 s ASP 165 Cb -0.13 -0.11 0.02 0.00 1.01 0.00 0.00 42.92 43.71 2x32 s ASP 165 CO 0.03 0.04 0.27 0.72 0.21 0.00 0.00 175.17 176.44 2x32 s PHE 166 N -0.79 -0.13 -0.15 4.23 -0.12 -1.26 -0.73 117.98 119.04 2x32 s PHE 166 Ca 0.02 0.16 -0.01 0.00 -0.05 0.00 0.00 56.93 57.05 2x32 s PHE 166 Cb -0.07 0.06 0.04 0.00 -0.63 0.00 0.00 43.02 42.42 2x32 s PHE 166 CO 0.01 -0.38 -0.04 0.08 -0.05 0.00 0.00 175.22 174.84 2x32 s VAL 167 N -1.42 0.95 -0.09 -2.49 1.01 -0.77 -3.60 120.40 113.99 2x32 s VAL 167 Ca -0.13 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.38 2x32 s VAL 167 Cb -0.05 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 2x32 s VAL 167 CO 0.03 0.14 -0.14 -0.76 0.00 0.00 0.00 175.10 174.37 2x32 s LEU 168 N 1.71 2.70 -0.17 3.92 1.43 0.20 -1.16 118.68 127.31 2x32 s LEU 168 Ca 0.02 -0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 52.83 2x32 s LEU 168 Cb -0.15 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 2x32 s LEU 168 CO -0.07 0.25 -0.11 -0.36 0.23 0.00 0.00 176.35 176.29 2x32 s PHE 169 N -0.18 2.86 -0.01 0.29 0.08 -1.26 -0.31 117.98 119.45 2x32 s PHE 169 Ca -0.00 -0.87 0.07 0.00 0.12 0.00 0.00 56.93 56.24 2x32 s PHE 169 Cb -0.13 -1.95 -0.03 0.00 -0.57 0.00 0.00 43.02 40.34 2x32 s PHE 169 CO 0.03 -0.41 -0.21 0.71 -0.10 0.00 0.00 175.22 175.25 2x32 s TYR 170 N 0.88 2.49 -0.03 0.36 2.02 -0.21 -0.81 117.35 122.06 2x32 s TYR 170 Ca -0.03 -0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.38 2x32 s TYR 170 Cb -0.15 -1.52 0.01 0.00 -0.40 0.00 0.00 41.96 39.89 2x32 s TYR 170 CO 0.00 0.11 -0.08 -1.21 -1.57 0.00 0.00 175.55 172.80 2x32 s GLU 171 N -0.87 0.91 0.16 -0.62 0.41 -0.32 -0.74 118.70 117.63 2x32 s GLU 171 Ca 0.12 -0.25 -0.33 0.00 -0.41 0.00 0.00 54.97 54.09 2x32 s GLU 171 Cb -0.10 -0.85 -0.16 0.00 -1.78 0.00 0.00 34.13 31.23 2x32 s GLU 171 CO 0.01 0.07 1.13 0.00 -0.49 0.00 0.00 175.26 175.98 2x32 n ALA 172 N 3.44 -1.01 1.58 5.21 0.00 -0.11 -0.70 120.51 128.92 2x32 n ALA 172 Ca -0.19 0.47 0.13 0.00 0.00 0.00 0.00 53.44 53.84 2x32 n ALA 172 Cb 0.54 -2.00 0.75 0.00 0.00 0.00 0.00 19.45 18.74 2x32 n ALA 172 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15