#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4d s PHE 6 N 0.00 3.55 0.00 -1.77 -0.12 -1.26 -5.07 117.98 113.31 1s4d s PHE 6 Ca 0.00 0.37 0.00 0.00 -0.05 0.00 0.00 56.93 57.25 1s4d s PHE 6 Cb 0.00 -1.84 0.00 0.00 -0.63 0.00 0.00 43.02 40.55 1s4d s PHE 6 CO 0.00 0.64 0.00 0.00 -0.05 0.00 0.00 175.22 175.81 1s4d n ALA 7 N 0.88 0.00 -3.06 1.99 0.00 -1.26 -5.19 120.51 113.87 1s4d n ALA 7 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1s4d n ALA 7 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1s4d n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4d n GLY 8 N 0.00 4.51 0.00 0.00 0.00 -1.26 -5.20 105.19 103.24 1s4d n GLY 8 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1s4d n GLY 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s4d n LEU 9 N 0.00 0.00 -4.85 0.99 4.77 -1.26 -5.15 117.00 111.49 1s4d n LEU 9 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 1s4d n LEU 9 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1s4d n LEU 9 CO 0.00 0.00 0.68 -2.84 -1.33 0.00 0.00 177.39 173.90 1s4d s PRO 10 N 1.37 3.82 0.12 3.23 0.02 -1.26 -5.11 135.00 137.19 1s4d s PRO 10 Ca 0.00 0.85 0.06 0.00 0.02 0.00 0.00 61.00 61.93 1s4d s PRO 10 Cb 0.00 -2.13 -0.04 0.00 0.02 0.00 0.00 34.50 32.35 1s4d s PRO 10 CO 0.00 -0.36 -0.02 0.00 -0.33 0.00 0.00 177.00 176.29 1s4d s ALA 11 N -2.81 3.21 -0.62 -1.55 0.00 -1.26 -4.99 121.76 113.75 1s4d s ALA 11 Ca 0.57 -1.23 -0.21 0.00 0.00 0.00 0.00 51.96 51.10 1s4d s ALA 11 Cb -0.10 -1.08 0.09 0.00 0.00 0.00 0.00 23.12 22.03 1s4d s ALA 11 CO 0.39 0.61 0.82 -1.17 0.00 0.00 0.00 175.76 176.41 1s4d s LEU 12 N -2.52 4.94 0.81 0.00 2.96 -1.26 -5.05 118.68 118.56 1s4d s LEU 12 Ca 0.26 -1.23 -0.11 0.00 -0.22 0.00 0.00 54.13 52.83 1s4d s LEU 12 Cb -0.11 -2.36 0.08 0.00 0.50 0.00 0.00 46.19 44.30 1s4d s LEU 12 CO 0.18 -1.26 1.12 -1.61 -1.32 0.00 0.00 176.35 173.46 1s4d s GLU 13 N 3.30 1.88 0.33 1.98 8.01 -1.26 -4.86 118.70 128.08 1s4d s GLU 13 Ca 0.16 1.33 -0.28 0.00 0.01 0.00 0.00 54.97 56.20 1s4d s GLU 13 Cb -0.21 -1.84 -0.09 0.00 -4.31 0.00 0.00 34.13 27.67 1s4d s GLU 13 CO 0.08 -1.95 1.19 0.15 0.01 0.00 0.00 175.26 174.73 1s4d s LYS 14 N -4.73 4.37 -0.31 1.61 1.02 -1.26 -3.00 119.74 117.44 1s4d s LYS 14 Ca 0.64 1.94 0.00 0.00 0.02 0.00 0.00 55.97 58.57 1s4d s LYS 14 Cb -0.20 -2.99 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 1s4d s LYS 14 CO 0.55 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 175.32 1s4d n GLY 15 N 0.88 0.58 3.16 -3.33 0.00 0.69 -4.92 105.19 102.26 1s4d n GLY 15 Ca 0.01 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 1s4d n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s4d s SER 16 N -2.40 1.97 -0.10 1.61 1.04 -1.16 -4.11 113.70 110.54 1s4d s SER 16 Ca 0.00 -0.33 0.02 0.00 0.48 0.00 0.00 55.95 56.12 1s4d s SER 16 Cb 0.00 -0.21 -0.02 0.00 0.10 0.00 0.00 66.02 65.90 1s4d s SER 16 CO 0.00 0.19 -0.15 -0.69 0.98 0.00 0.00 173.24 173.57 1s4d s VAL 17 N -0.45 2.87 -0.19 5.02 1.01 -0.19 -2.61 120.40 125.86 1s4d s VAL 17 Ca 0.06 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 1s4d s VAL 17 Cb -0.07 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 1s4d s VAL 17 CO -0.00 0.55 -0.02 0.26 0.00 0.00 0.00 175.10 175.88 1s4d s TRP 18 N 0.07 3.01 -0.49 5.22 0.52 -0.10 -1.83 118.94 125.34 1s4d s TRP 18 Ca -0.06 -0.49 -0.22 0.00 0.02 0.00 0.00 56.10 55.35 1s4d s TRP 18 Cb -0.15 -2.05 0.04 0.00 -1.15 0.00 0.00 33.47 30.16 1s4d s TRP 18 CO 0.05 -0.23 0.77 -0.51 0.02 0.00 0.00 176.95 177.04 1s4d s LEU 19 N 0.88 4.44 -0.06 2.99 1.43 -0.06 -0.41 118.68 127.89 1s4d s LEU 19 Ca 0.00 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 1s4d s LEU 19 Cb -0.14 -2.74 -0.03 0.00 0.03 0.00 0.00 46.19 43.31 1s4d s LEU 19 CO 0.02 -0.99 -0.10 -0.69 0.23 0.00 0.00 176.35 174.82 1s4d s VAL 20 N 3.24 3.45 -0.19 -1.59 1.01 -0.04 -0.55 120.40 125.74 1s4d s VAL 20 Ca 0.25 -0.57 -0.18 0.00 0.00 0.00 0.00 61.98 61.48 1s4d s VAL 20 Cb -0.14 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1s4d s VAL 20 CO 0.18 0.59 0.48 -0.83 0.00 0.00 0.00 175.10 175.52 1s4d s GLY 21 N -0.73 2.12 0.06 4.51 0.00 -0.21 -0.68 107.32 112.39 1s4d s GLY 21 Ca 0.11 -0.40 0.26 0.00 0.00 0.00 0.00 44.72 44.69 1s4d s GLY 21 CO 0.01 0.97 1.59 0.00 0.00 0.00 0.00 173.10 175.67 1s4d n ALA 22 N 4.54 2.88 -0.22 3.20 0.00 0.15 -4.48 120.51 126.57 1s4d n ALA 22 Ca -0.06 -0.21 0.02 0.00 0.00 0.00 0.00 53.44 53.19 1s4d n ALA 22 Cb 0.51 -1.28 -0.01 0.00 0.00 0.00 0.00 19.45 18.67 1s4d n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4d n GLY 23 N 1.44 -2.09 0.17 0.00 0.00 0.18 -4.41 105.19 100.48 1s4d n GLY 23 Ca 0.05 -1.43 0.04 0.00 0.00 0.00 0.00 46.02 44.69 1s4d n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s4d h PRO 24 N 0.00 0.00 0.00 1.61 0.13 -1.83 0.16 132.00 132.07 1s4d h PRO 24 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1s4d h PRO 24 Cb 0.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.27 1s4d h PRO 24 CO 0.00 0.44 0.00 0.41 -0.23 0.00 0.00 178.00 178.62 1s4d n GLY 25 N 0.72 -2.02 2.30 1.56 0.00 -1.26 -4.75 105.19 101.73 1s4d n GLY 25 Ca 0.01 0.67 -0.42 0.00 0.00 0.00 0.00 46.02 46.28 1s4d n GLY 25 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s4d n ASP 26 N 0.00 0.59 0.33 1.61 -0.08 0.13 -4.59 116.55 114.55 1s4d n ASP 26 Ca 0.00 0.56 0.20 0.00 -1.51 0.00 0.00 54.79 54.04 1s4d n ASP 26 Cb 0.00 -0.61 1.06 0.00 2.34 0.00 0.00 41.12 43.91 1s4d n ASP 26 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1s4d h PRO 27 N 5.36 0.00 0.00 -0.67 0.13 -1.92 -1.30 132.00 133.60 1s4d h PRO 27 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1s4d h PRO 27 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1s4d h PRO 27 CO 0.72 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.90 1s4d n GLY 28 N -1.15 -0.97 0.47 1.56 0.00 -1.26 -2.59 105.19 101.24 1s4d n GLY 28 Ca -0.02 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 45.94 1s4d n GLY 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s4d n LEU 29 N -1.07 1.88 -4.65 0.99 4.32 -0.49 -4.91 117.00 113.07 1s4d n LEU 29 Ca 0.19 -0.68 -0.37 0.00 -0.02 0.00 0.00 56.01 55.13 1s4d n LEU 29 Cb 0.13 -0.02 0.06 0.00 -1.62 0.00 0.00 43.42 41.97 1s4d n LEU 29 CO 0.17 0.35 0.66 0.18 -1.22 0.00 0.00 177.39 177.53 1s4d n LEU 30 N -0.09 4.48 -4.86 2.23 7.99 -1.07 -4.60 117.00 121.08 1s4d n LEU 30 Ca 0.10 0.79 -0.31 0.00 -0.01 0.00 0.00 56.01 56.58 1s4d n LEU 30 Cb 0.45 -1.45 -0.03 0.00 -0.11 0.00 0.00 43.42 42.28 1s4d n LEU 30 CO 0.28 -1.61 0.54 0.42 -1.51 0.00 0.00 177.39 175.50 1s4d s THR 31 N -1.51 4.67 0.13 -5.08 -4.23 -1.26 -4.90 115.64 103.46 1s4d s THR 31 Ca 0.78 0.90 -0.28 0.00 -1.18 0.00 0.00 61.69 61.91 1s4d s THR 31 Cb -0.39 -3.72 -0.05 0.00 1.34 0.00 0.00 72.50 69.68 1s4d s THR 31 CO 0.45 -0.57 1.59 -0.07 -0.54 0.00 0.00 174.62 175.47 1s4d h LEU 32 N 1.18 -1.25 -0.99 4.79 4.07 -1.98 0.14 115.31 121.26 1s4d h LEU 32 Ca -0.47 0.17 0.12 0.00 0.08 0.00 0.00 57.88 57.78 1s4d h LEU 32 Cb 1.19 0.51 -0.14 0.00 1.08 0.00 0.00 40.66 43.30 1s4d h LEU 32 CO 0.63 -0.41 -0.49 1.41 -1.08 0.00 0.00 178.44 178.50 1s4d n HIS 33 N -5.43 -0.20 0.13 1.13 8.25 -1.26 -0.81 115.22 117.03 1s4d n HIS 33 Ca -0.04 1.23 -0.14 0.00 -0.26 0.00 0.00 57.72 58.51 1s4d n HIS 33 Cb 0.36 -0.73 -0.07 0.00 1.12 0.00 0.00 29.99 30.67 1s4d n HIS 33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s4d h ALA 34 N 0.94 -0.72 -1.00 -1.41 0.00 -1.50 0.43 119.26 115.99 1s4d h ALA 34 Ca 0.25 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.25 1s4d h ALA 34 Cb 0.50 0.64 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 1s4d h ALA 34 CO -0.96 -0.97 0.62 0.00 0.00 0.00 0.00 179.25 177.94 1s4d h ALA 35 N -0.15 1.63 -0.47 0.00 0.00 -0.65 0.25 119.26 119.88 1s4d h ALA 35 Ca 0.02 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1s4d h ALA 35 Cb 0.67 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1s4d h ALA 35 CO -0.21 0.04 0.14 -0.97 0.00 0.00 0.00 179.25 178.26 1s4d h ASN 36 N 0.84 0.68 -0.79 0.00 -1.24 0.50 -2.38 115.58 113.18 1s4d h ASN 36 Ca 0.55 -0.21 -0.02 0.00 0.71 0.00 0.00 56.30 57.33 1s4d h ASN 36 Cb 0.76 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 39.59 1s4d h ASN 36 CO -0.33 0.71 0.41 0.00 -1.29 0.00 0.00 177.43 176.92 1s4d h ALA 37 N 1.00 1.02 -0.70 1.57 0.00 0.16 -2.65 119.26 119.65 1s4d h ALA 37 Ca 0.15 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.01 1s4d h ALA 37 Cb 0.28 -0.32 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 1s4d h ALA 37 CO -0.00 0.56 0.35 -0.07 0.00 0.00 0.00 179.25 180.09 1s4d h LEU 38 N 1.11 0.46 -1.64 0.00 -0.00 -0.36 -2.47 115.31 112.43 1s4d h LEU 38 Ca 0.28 0.06 -0.03 0.00 -0.00 0.00 0.00 57.88 58.18 1s4d h LEU 38 Cb 0.08 -0.02 -0.00 0.00 -0.00 0.00 0.00 40.66 40.71 1s4d h LEU 38 CO -0.04 0.27 -0.16 0.03 -0.00 0.00 0.00 178.44 178.54 1s4d h ARG 39 N 0.61 0.00 0.00 1.13 3.08 -1.07 -3.30 114.38 114.83 1s4d h ARG 39 Ca 0.34 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.27 1s4d h ARG 39 Cb 0.35 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1s4d h ARG 39 CO -0.26 0.16 -1.83 1.04 -1.07 0.00 0.00 179.97 178.01 1s4d n GLN 40 N -3.55 1.06 -1.80 0.04 6.02 -1.05 -4.12 117.38 113.98 1s4d n GLN 40 Ca -0.01 -0.07 -0.42 0.00 -0.01 0.00 0.00 57.00 56.49 1s4d n GLN 40 Cb 0.31 -1.36 -0.02 0.00 1.02 0.00 0.00 30.24 30.18 1s4d n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1s4d s ALA 41 N -2.71 3.77 -0.16 -1.58 0.00 -0.95 -4.87 121.76 115.25 1s4d s ALA 41 Ca -0.06 1.54 0.15 0.00 0.00 0.00 0.00 51.96 53.59 1s4d s ALA 41 Cb 0.07 -3.65 0.09 0.00 0.00 0.00 0.00 23.12 19.63 1s4d s ALA 41 CO 0.61 -0.94 1.46 -0.44 0.00 0.00 0.00 175.76 176.45 1s4d h ASP 42 N 5.31 0.00 -3.17 0.00 3.32 -1.54 -3.44 116.42 116.90 1s4d h ASP 42 Ca -0.46 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.34 1s4d h ASP 42 Cb 1.22 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.43 1s4d h ASP 42 CO 0.83 0.48 -0.58 0.54 -1.72 0.00 0.00 179.24 178.78 1s4d s VAL 43 N -2.98 -0.21 -0.46 -1.35 0.11 -1.09 -2.32 120.40 112.10 1s4d s VAL 43 Ca 0.04 0.27 -0.04 0.00 -2.93 0.00 0.00 61.98 59.32 1s4d s VAL 43 Cb 0.08 -0.32 0.12 0.00 -1.53 0.00 0.00 36.38 34.73 1s4d s VAL 43 CO 0.74 0.11 0.28 -0.63 -3.33 0.00 0.00 175.10 172.27 1s4d s ILE 44 N 1.89 3.53 -0.35 7.04 1.01 -0.97 -1.04 121.20 132.31 1s4d s ILE 44 Ca -0.02 -2.20 -0.25 0.00 0.00 0.00 0.00 60.65 58.18 1s4d s ILE 44 Cb -0.12 -3.38 0.01 0.00 0.01 0.00 0.00 42.46 38.99 1s4d s ILE 44 CO -0.07 -0.74 0.90 -0.69 0.00 0.00 0.00 174.94 174.34 1s4d s VAL 45 N 0.93 4.63 0.14 2.92 1.01 0.80 -1.83 120.40 129.01 1s4d s VAL 45 Ca 0.10 1.21 0.01 0.00 0.00 0.00 0.00 61.98 63.30 1s4d s VAL 45 Cb -0.23 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 1s4d s VAL 45 CO -0.04 -0.46 -0.02 -1.38 0.00 0.00 0.00 175.10 173.20 1s4d s HIS 46 N 3.35 1.04 0.06 5.22 -0.00 -0.48 -0.15 115.29 124.33 1s4d s HIS 46 Ca 0.37 -1.01 0.00 0.00 -0.00 0.00 0.00 55.06 54.43 1s4d s HIS 46 Cb -0.13 -0.59 0.00 0.00 -0.00 0.00 0.00 32.58 31.86 1s4d s HIS 46 CO 0.17 -0.23 0.02 -0.40 -0.00 0.00 0.00 174.74 174.31 1s4d n ASP 47 N -0.14 1.72 -1.01 7.38 5.68 -1.25 -0.31 116.55 128.61 1s4d n ASP 47 Ca -0.09 -1.25 -0.01 0.00 -0.50 0.00 0.00 54.79 52.95 1s4d n ASP 47 Cb 0.62 0.02 -0.01 0.00 -1.14 0.00 0.00 41.12 40.62 1s4d n ASP 47 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1s4d n ALA 48 N -2.83 0.14 -2.72 2.12 0.00 -1.26 -4.87 120.51 111.09 1s4d n ALA 48 Ca -0.02 -0.24 -0.37 0.00 0.00 0.00 0.00 53.44 52.80 1s4d n ALA 48 Cb 0.08 -0.18 -0.06 0.00 0.00 0.00 0.00 19.45 19.28 1s4d n ALA 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1s4d s LEU 49 N 0.00 4.26 0.31 0.00 1.43 -1.26 -4.91 118.68 118.52 1s4d s LEU 49 Ca 0.04 0.71 0.04 0.00 -1.03 0.00 0.00 54.13 53.89 1s4d s LEU 49 Cb -0.02 -2.59 0.53 0.00 0.03 0.00 0.00 46.19 44.13 1s4d s LEU 49 CO 0.02 0.02 1.82 0.58 0.23 0.00 0.00 176.35 179.02 1s4d h VAL 50 N 4.73 1.22 -3.53 -1.59 2.07 -1.90 -3.39 116.25 113.87 1s4d h VAL 50 Ca -0.41 -0.96 -0.65 0.00 0.82 0.00 0.00 66.70 65.50 1s4d h VAL 50 Cb 1.17 1.08 -0.37 0.00 -1.52 0.00 0.00 31.29 31.66 1s4d h VAL 50 CO 0.76 0.32 -0.82 0.20 0.02 0.00 0.00 177.57 178.05 1s4d s ASN 51 N -6.76 3.79 0.00 0.57 -0.87 -1.26 -4.98 114.94 105.43 1s4d s ASN 51 Ca -0.07 -1.06 0.00 0.00 -1.57 0.00 0.00 52.86 50.16 1s4d s ASN 51 Cb 0.15 -1.43 0.00 0.00 -0.02 0.00 0.00 41.25 39.95 1s4d s ASN 51 CO 0.77 -0.13 1.62 -0.62 -2.57 0.00 0.00 177.10 176.17 1s4d n GLU 52 N 4.56 0.94 -0.08 -0.60 1.02 -1.26 -3.98 120.64 121.24 1s4d n GLU 52 Ca -0.16 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 56.88 1s4d n GLU 52 Cb 0.45 -1.03 -0.09 0.00 -0.02 0.00 0.00 31.44 30.75 1s4d n GLU 52 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1s4d n ASP 53 N 1.25 2.21 0.33 1.62 9.92 -1.26 -4.41 116.55 126.22 1s4d n ASP 53 Ca 0.00 -0.05 0.22 0.00 -0.53 0.00 0.00 54.79 54.43 1s4d n ASP 53 Cb 0.47 0.22 1.18 0.00 -0.64 0.00 0.00 41.12 42.35 1s4d n ASP 53 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1s4d h LEU 55 N 0.00 0.00 -1.67 0.00 3.38 -1.87 -3.13 115.31 112.02 1s4d h LEU 55 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s4d h LEU 55 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1s4d h LEU 55 CO 0.00 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.64 1s4d h LYS 56 N 0.00 0.00 0.00 1.13 1.79 -1.56 -2.41 116.57 115.52 1s4d h LYS 56 Ca 0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1s4d h LYS 56 Cb 0.81 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.45 1s4d h LYS 56 CO 0.00 0.00 -0.34 -0.07 -1.08 0.00 0.00 179.45 177.96 1s4d h LEU 57 N 0.00 0.00 -9.63 2.94 3.38 -1.73 -3.46 115.31 106.81 1s4d h LEU 57 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 1s4d h LEU 57 Cb 0.24 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.06 1s4d h LEU 57 CO 0.00 0.11 0.84 0.00 0.09 0.00 0.00 178.44 179.47 1s4d n ALA 58 N -2.15 1.98 -1.67 1.53 0.00 -0.91 -4.17 120.51 115.13 1s4d n ALA 58 Ca 0.02 0.41 -0.44 0.00 0.00 0.00 0.00 53.44 53.43 1s4d n ALA 58 Cb 0.58 -2.41 -0.04 0.00 0.00 0.00 0.00 19.45 17.59 1s4d n ALA 58 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1s4d n ARG 59 N 3.00 2.62 -1.64 0.00 1.85 -1.24 -4.88 116.66 116.37 1s4d n ARG 59 Ca 0.14 0.96 -0.47 0.00 -1.00 0.00 0.00 57.85 57.48 1s4d n ARG 59 Cb 0.33 -2.89 -0.04 0.00 -1.05 0.00 0.00 32.46 28.81 1s4d n ARG 59 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1s4d n PRO 60 N 7.27 1.71 0.00 2.89 -0.02 -1.26 -2.77 135.00 142.82 1s4d n PRO 60 Ca 0.21 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1s4d n PRO 60 Cb 0.37 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1s4d n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s4d n GLY 61 N 2.29 1.12 3.43 -1.23 0.00 -1.26 -5.09 105.19 104.45 1s4d n GLY 61 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1s4d n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s4d s ALA 62 N -2.00 3.00 -0.02 4.61 0.00 -1.11 -5.02 121.76 121.21 1s4d s ALA 62 Ca 0.00 -1.01 -0.30 0.00 0.00 0.00 0.00 51.96 50.65 1s4d s ALA 62 Cb 0.00 -1.75 -0.05 0.00 0.00 0.00 0.00 23.12 21.31 1s4d s ALA 62 CO 0.00 -0.17 1.42 0.54 0.00 0.00 0.00 175.76 177.55 1s4d s VAL 63 N 1.04 3.73 -0.34 0.00 0.11 -0.98 -4.84 120.40 119.13 1s4d s VAL 63 Ca 0.02 1.08 -0.19 0.00 -2.93 0.00 0.00 61.98 59.95 1s4d s VAL 63 Cb -0.14 -3.69 -0.00 0.00 -1.53 0.00 0.00 36.38 31.01 1s4d s VAL 63 CO 0.01 -0.02 0.56 -0.76 -3.33 0.00 0.00 175.10 171.56 1s4d s LEU 64 N 2.70 4.27 -0.11 2.54 1.43 -1.26 -2.29 118.68 125.95 1s4d s LEU 64 Ca 0.64 0.12 -0.05 0.00 -1.03 0.00 0.00 54.13 53.82 1s4d s LEU 64 Cb -0.31 -2.67 -0.04 0.00 0.03 0.00 0.00 46.19 43.20 1s4d s LEU 64 CO 0.26 -0.49 0.06 -1.61 0.23 0.00 0.00 176.35 174.80 1s4d s GLU 65 N 2.49 3.30 -0.25 1.70 2.02 -0.76 -5.00 118.70 122.21 1s4d s GLU 65 Ca 0.21 -0.29 -0.12 0.00 0.02 0.00 0.00 54.97 54.79 1s4d s GLU 65 Cb -0.15 -3.01 -0.05 0.00 0.10 0.00 0.00 34.13 31.02 1s4d s GLU 65 CO 0.13 0.67 0.25 0.12 0.02 0.00 0.00 175.26 176.45 1s4d s PHE 66 N -0.76 3.28 -1.51 1.61 5.99 -1.26 -1.38 117.98 123.95 1s4d s PHE 66 Ca 0.12 0.30 0.18 0.00 0.00 0.00 0.00 56.93 57.53 1s4d s PHE 66 Cb -0.12 -2.40 -0.04 0.00 0.00 0.00 0.00 43.02 40.46 1s4d s PHE 66 CO 0.03 -0.07 0.90 0.00 -0.00 0.00 0.00 175.22 176.08 1s4d n ALA 67 N 4.75 3.51 -1.48 11.12 0.00 0.58 -4.94 120.51 134.04 1s4d n ALA 67 Ca -0.12 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1s4d n ALA 67 Cb 0.52 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.32 1s4d n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4d n GLY 68 N 1.28 -0.23 3.70 0.00 0.00 -1.26 -4.71 105.19 103.97 1s4d n GLY 68 Ca 0.07 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 1s4d n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s4d s LYS 69 N -1.88 4.30 -0.62 1.61 -2.85 -1.26 -4.67 119.74 114.37 1s4d s LYS 69 Ca 0.00 2.01 0.04 0.00 -1.00 0.00 0.00 55.97 57.02 1s4d s LYS 69 Cb 0.00 -3.47 0.34 0.00 -2.06 0.00 0.00 37.83 32.64 1s4d s LYS 69 CO 0.00 -0.53 1.03 0.54 0.10 0.00 0.00 175.35 176.50 1s4d n ARG 70 N 4.89 3.46 0.00 1.78 1.74 -1.26 -5.02 116.66 122.24 1s4d n ARG 70 Ca 0.13 -4.85 0.00 0.00 -0.77 0.00 0.00 57.85 52.36 1s4d n ARG 70 Cb 0.43 -2.26 0.00 0.00 -1.02 0.00 0.00 32.46 29.61 1s4d n ARG 70 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s4d n GLY 71 N -0.23 0.54 0.28 -0.13 0.00 -1.26 -4.97 105.19 99.42 1s4d n GLY 71 Ca 0.33 0.45 0.07 0.00 0.00 0.00 0.00 46.02 46.87 1s4d n GLY 71 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1s4d h GLY 72 N 0.00 1.05 0.00 -0.02 0.00 -2.03 -3.51 103.07 98.56 1s4d h GLY 72 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1s4d h GLY 72 CO 0.00 -0.27 0.00 -1.55 0.00 0.00 0.00 176.54 174.72 1s4d n PRO 74 N -5.23 0.00 -3.64 4.80 -0.04 -1.26 -5.26 135.00 124.37 1s4d n PRO 74 Ca 0.16 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.24 1s4d n PRO 74 Cb 0.52 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.86 1s4d n PRO 74 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1s4d s SER 75 N 0.00 5.79 0.39 3.54 0.01 -1.26 -4.41 113.70 117.76 1s4d s SER 75 Ca 0.00 -0.05 -0.26 0.00 1.31 0.00 0.00 55.95 56.95 1s4d s SER 75 Cb 0.00 -2.07 -0.11 0.00 0.21 0.00 0.00 66.02 64.05 1s4d s SER 75 CO 0.00 -0.04 1.11 -2.65 0.41 0.00 0.00 173.24 172.07 1s4d n PRO 76 N 4.96 1.59 -2.11 12.44 -0.02 -1.26 -4.90 135.00 145.70 1s4d n PRO 76 Ca -0.15 0.57 -0.40 0.00 -2.02 0.00 0.00 63.50 61.50 1s4d n PRO 76 Cb 0.52 -2.13 -0.01 0.00 -0.02 0.00 0.00 33.50 31.85 1s4d n PRO 76 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1s4d s LYS 77 N -1.98 4.12 0.31 -0.52 2.47 -1.26 -4.93 119.74 117.96 1s4d s LYS 77 Ca 0.61 2.13 0.05 0.00 -1.56 0.00 0.00 55.97 57.20 1s4d s LYS 77 Cb -0.57 -2.86 0.68 0.00 -1.46 0.00 0.00 37.83 33.62 1s4d s LYS 77 CO 0.58 -0.35 1.83 0.37 0.16 0.00 0.00 175.35 177.94 1s4d h GLN 78 N 2.93 0.83 -0.68 4.03 5.75 -1.99 -0.74 115.11 125.24 1s4d h GLN 78 Ca -0.49 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 57.95 1s4d h GLN 78 Cb 1.24 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 29.57 1s4d h GLN 78 CO 0.64 0.55 0.39 -0.09 -2.65 0.00 0.00 178.83 177.66 1s4d h ARG 79 N 0.85 0.93 -0.84 1.69 9.65 -1.99 -1.16 114.38 123.52 1s4d h ARG 79 Ca 0.50 -0.09 0.01 0.00 -1.10 0.00 0.00 59.98 59.30 1s4d h ARG 79 Cb 0.66 -0.19 -0.04 0.00 -1.39 0.00 0.00 29.97 29.01 1s4d h ARG 79 CO -0.27 0.67 0.56 -0.44 2.80 0.00 0.00 179.97 183.28 1s4d h ASP 80 N 0.94 0.96 -0.08 -3.80 3.45 -1.50 0.51 116.42 116.90 1s4d h ASP 80 Ca 0.24 -0.02 -0.06 0.00 0.43 0.00 0.00 57.03 57.62 1s4d h ASP 80 Cb -0.00 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 38.53 1s4d h ASP 80 CO -0.04 0.69 -0.19 0.40 -1.57 0.00 0.00 179.24 178.53 1s4d h ILE 81 N 1.13 1.42 -0.30 0.35 2.04 -1.44 -2.35 117.51 118.36 1s4d h ILE 81 Ca 0.31 -1.53 0.06 0.00 1.00 0.00 0.00 64.86 64.70 1s4d h ILE 81 Cb -0.12 2.22 -0.06 0.00 -0.74 0.00 0.00 36.82 38.12 1s4d h ILE 81 CO -0.07 0.43 -0.08 0.28 0.00 0.00 0.00 178.15 178.72 1s4d h SER 82 N -0.22 -0.29 -0.59 1.72 0.02 -0.97 -1.73 113.55 111.49 1s4d h SER 82 Ca -0.00 0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 1s4d h SER 82 Cb 0.79 0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 1s4d h SER 82 CO 0.04 -0.10 0.11 -0.07 -1.14 0.00 0.00 176.83 175.67 1s4d h LEU 83 N -0.01 0.92 -0.52 5.07 3.38 -0.97 -2.38 115.31 120.81 1s4d h LEU 83 Ca 0.14 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.92 1s4d h LEU 83 Cb 0.22 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1s4d h LEU 83 CO -0.31 0.94 0.23 -0.09 0.09 0.00 0.00 178.44 179.29 1s4d h ARG 84 N 0.86 0.42 -0.55 1.13 9.65 -1.05 0.22 114.38 125.07 1s4d h ARG 84 Ca 0.18 -0.03 0.11 0.00 -1.10 0.00 0.00 59.98 59.14 1s4d h ARG 84 Cb 0.40 -0.10 -0.11 0.00 -1.39 0.00 0.00 29.97 28.77 1s4d h ARG 84 CO 0.01 0.28 -0.20 -0.07 2.80 0.00 0.00 179.97 182.79 1s4d h LEU 85 N 0.44 -0.70 0.42 3.80 3.38 -0.83 0.56 115.31 122.38 1s4d h LEU 85 Ca 0.24 0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.37 1s4d h LEU 85 Cb 0.21 0.41 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1s4d h LEU 85 CO -0.20 -0.23 -0.20 0.58 0.09 0.00 0.00 178.44 178.47 1s4d h VAL 86 N -0.07 0.58 -0.89 1.22 2.07 -0.91 -1.12 116.25 117.14 1s4d h VAL 86 Ca 0.26 -0.22 0.18 0.00 0.82 0.00 0.00 66.70 67.74 1s4d h VAL 86 Cb 0.47 0.69 -0.11 0.00 -1.52 0.00 0.00 31.29 30.82 1s4d h VAL 86 CO -0.60 0.04 0.45 -0.08 0.02 0.00 0.00 177.57 177.41 1s4d h GLU 87 N -0.69 0.56 -0.35 1.57 4.81 -0.10 -0.11 114.58 120.26 1s4d h GLU 87 Ca -0.06 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 1s4d h GLU 87 Cb 0.50 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1s4d h GLU 87 CO 0.09 0.37 0.03 -0.07 -0.73 0.00 0.00 179.01 178.70 1s4d h LEU 88 N 0.58 0.59 -1.13 1.64 3.38 0.35 -3.16 115.31 117.56 1s4d h LEU 88 Ca 0.51 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 1s4d h LEU 88 Cb 0.82 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1s4d h LEU 88 CO -0.41 0.73 -0.09 0.00 0.09 0.00 0.00 178.44 178.76 1s4d h ALA 89 N 0.88 1.28 0.00 1.53 0.00 0.04 -2.45 119.26 120.54 1s4d h ALA 89 Ca 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1s4d h ALA 89 Cb 0.41 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1s4d h ALA 89 CO 0.01 0.48 -0.05 0.00 0.00 0.00 0.00 179.25 179.69 1s4d h ARG 90 N 0.47 0.00 0.00 0.00 3.08 -1.04 -1.47 114.38 115.43 1s4d h ARG 90 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1s4d h ARG 90 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1s4d h ARG 90 CO 0.02 0.05 0.00 0.00 -1.07 0.00 0.00 179.97 178.97 1s4d n ALA 91 N -2.15 2.27 0.00 0.04 0.00 -0.93 -4.91 120.51 114.83 1s4d n ALA 91 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1s4d n ALA 91 Cb 0.23 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1s4d n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4d n GLY 92 N 1.35 1.19 3.80 0.00 0.00 -0.55 -5.04 105.19 105.94 1s4d n GLY 92 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1s4d n GLY 92 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s4d s ASN 93 N -2.00 5.59 -0.57 1.61 0.01 -1.22 -3.96 114.94 114.39 1s4d s ASN 93 Ca 0.00 1.78 -0.20 0.00 -0.71 0.00 0.00 52.86 53.73 1s4d s ASN 93 Cb 0.00 -2.52 0.08 0.00 0.41 0.00 0.00 41.25 39.21 1s4d s ASN 93 CO 0.00 -1.30 0.74 -0.13 -1.51 0.00 0.00 177.10 174.90 1s4d s ARG 94 N -4.35 3.10 -0.26 -0.60 0.52 -1.26 -0.22 118.95 115.88 1s4d s ARG 94 Ca 0.62 -1.01 -0.13 0.00 -0.52 0.00 0.00 55.73 54.70 1s4d s ARG 94 Cb -0.16 -4.18 -0.04 0.00 0.52 0.00 0.00 34.95 31.08 1s4d s ARG 94 CO 0.43 -1.47 0.27 0.08 0.02 0.00 0.00 175.30 174.62 1s4d s VAL 95 N 2.99 5.26 -0.28 3.52 1.01 -1.07 -1.23 120.40 130.61 1s4d s VAL 95 Ca 0.16 0.36 -0.03 0.00 0.00 0.00 0.00 61.98 62.47 1s4d s VAL 95 Cb -0.20 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.60 1s4d s VAL 95 CO 0.10 0.24 -0.00 -0.22 0.00 0.00 0.00 175.10 175.22 1s4d s LEU 96 N 1.66 3.56 -0.60 3.92 0.20 -0.21 -0.93 118.68 126.28 1s4d s LEU 96 Ca 0.11 -0.90 -0.19 0.00 0.69 0.00 0.00 54.13 53.85 1s4d s LEU 96 Cb -0.15 -1.75 0.11 0.00 -0.43 0.00 0.00 46.19 43.97 1s4d s LEU 96 CO 0.09 -0.18 0.71 -0.60 -0.29 0.00 0.00 176.35 176.08 1s4d s ARG 97 N 1.37 3.06 -0.31 1.98 6.06 0.45 -0.14 118.95 131.43 1s4d s ARG 97 Ca -0.00 -1.36 -0.21 0.00 -2.50 0.00 0.00 55.73 51.65 1s4d s ARG 97 Cb -0.17 -4.28 -0.00 0.00 0.06 0.00 0.00 34.95 30.55 1s4d s ARG 97 CO -0.01 -1.54 0.69 -1.17 -2.50 0.00 0.00 175.30 170.77 1s4d s LEU 98 N 2.62 4.13 -0.04 -0.88 0.20 0.78 -0.86 118.68 124.64 1s4d s LEU 98 Ca 0.12 0.48 0.07 0.00 0.69 0.00 0.00 54.13 55.48 1s4d s LEU 98 Cb -0.24 -2.91 -0.02 0.00 -0.43 0.00 0.00 46.19 42.60 1s4d s LEU 98 CO 0.06 -0.55 -0.24 -0.54 -0.29 0.00 0.00 176.35 174.79 1s4d s LYS 99 N 2.76 2.32 0.39 1.98 1.02 0.14 -3.85 119.74 124.49 1s4d s LYS 99 Ca 0.28 -0.89 -0.26 0.00 0.02 0.00 0.00 55.97 55.11 1s4d s LYS 99 Cb -0.15 -2.13 -0.09 0.00 -0.52 0.00 0.00 37.83 34.95 1s4d s LYS 99 CO 0.12 0.51 1.30 0.20 -0.92 0.00 0.00 175.35 176.56 1s4d s GLY 100 N -0.47 2.93 0.00 -3.33 0.00 -1.26 0.31 107.32 105.50 1s4d s GLY 100 Ca 0.06 1.23 0.00 0.00 0.00 0.00 0.00 44.72 46.01 1s4d s GLY 100 CO 0.01 1.83 0.00 0.61 0.00 0.00 0.00 173.10 175.55 1s4d n GLY 101 N 0.68 2.98 3.21 0.20 0.00 0.57 -4.63 105.19 108.21 1s4d n GLY 101 Ca 0.03 -0.22 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 1s4d n GLY 101 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s4d s ASP 102 N -4.00 2.21 0.59 1.61 -1.08 -1.25 -0.65 116.67 114.11 1s4d s ASP 102 Ca 0.00 -0.46 0.37 0.00 -0.52 0.00 0.00 52.55 51.94 1s4d s ASP 102 Cb 0.00 -0.19 1.81 0.00 -1.46 0.00 0.00 42.92 43.08 1s4d s ASP 102 CO 0.00 0.15 2.16 -0.65 0.52 0.00 0.00 175.17 177.34 1s4d h PRO 103 N 5.08 0.00 -0.03 4.34 0.11 -1.84 -3.12 132.00 136.54 1s4d h PRO 103 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1s4d h PRO 103 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1s4d h PRO 103 CO 0.45 0.02 0.00 1.19 -0.21 0.00 0.00 178.00 179.45 1s4d n PHE 104 N -3.19 0.03 -3.50 0.65 0.99 -1.26 -1.39 117.46 109.79 1s4d n PHE 104 Ca -0.01 -0.03 -0.42 0.00 -0.00 0.00 0.00 57.45 56.99 1s4d n PHE 104 Cb 0.20 -0.00 -0.08 0.00 -1.00 0.00 0.00 39.48 38.60 1s4d n PHE 104 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1s4d s VAL 105 N -0.98 4.51 -0.47 -4.37 1.01 -1.18 -4.62 120.40 114.30 1s4d s VAL 105 Ca 0.14 -1.60 -0.03 0.00 0.00 0.00 0.00 61.98 60.49 1s4d s VAL 105 Cb 0.10 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.62 1s4d s VAL 105 CO 0.15 -0.73 0.09 0.49 0.00 0.00 0.00 175.10 175.10 1s4d n PHE 106 N 5.01 -1.80 -0.98 5.22 3.01 -1.26 -4.80 117.46 121.86 1s4d n PHE 106 Ca -0.10 0.10 0.09 0.00 1.01 0.00 0.00 57.45 58.55 1s4d n PHE 106 Cb 0.41 -1.55 0.19 0.00 -0.01 0.00 0.00 39.48 38.53 1s4d n PHE 106 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1s4d n GLY 107 N -0.66 4.39 1.86 1.37 0.00 -1.26 -4.98 105.19 105.90 1s4d n GLY 107 Ca -0.02 -1.04 -0.03 0.00 0.00 0.00 0.00 46.02 44.93 1s4d n GLY 107 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1s4d n ARG 108 N -0.93 -1.92 -0.25 1.61 1.85 -1.26 -4.84 116.66 110.91 1s4d n ARG 108 Ca 0.18 0.18 -0.06 0.00 -1.00 0.00 0.00 57.85 57.15 1s4d n ARG 108 Cb 0.74 -4.47 0.05 0.00 -1.05 0.00 0.00 32.46 27.74 1s4d n ARG 108 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1s4d h GLY 109 N 0.00 1.05 1.05 2.89 0.00 -1.60 -2.47 103.07 103.99 1s4d h GLY 109 Ca -0.07 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.73 1s4d h GLY 109 CO 0.09 0.46 0.26 -1.33 0.00 0.00 0.00 176.54 176.02 1s4d h GLY 110 N 0.97 1.25 0.52 4.60 0.00 -1.89 0.41 103.07 108.93 1s4d h GLY 110 Ca 0.25 -0.72 0.05 0.00 0.00 0.00 0.00 47.33 46.91 1s4d h GLY 110 CO -0.04 0.68 -0.02 0.83 0.00 0.00 0.00 176.54 177.99 1s4d h GLU 111 N 1.12 0.06 0.52 4.80 5.08 -1.91 -0.95 114.58 123.29 1s4d h GLU 111 Ca 0.25 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 1s4d h GLU 111 Cb 0.28 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.52 1s4d h GLU 111 CO -0.01 0.04 -0.25 0.93 -1.00 0.00 0.00 179.01 178.71 1s4d h GLU 112 N 0.06 -0.67 -0.80 2.33 5.08 -0.94 -1.58 114.58 118.06 1s4d h GLU 112 Ca 0.14 0.05 0.19 0.00 -1.00 0.00 0.00 59.36 58.73 1s4d h GLU 112 Cb 0.19 0.15 -0.14 0.00 0.50 0.00 0.00 28.75 29.45 1s4d h GLU 112 CO -0.25 -0.38 0.03 0.00 -1.00 0.00 0.00 179.01 177.42 1s4d h ALA 113 N -0.54 0.88 -0.72 3.43 0.00 -0.96 0.13 119.26 121.49 1s4d h ALA 113 Ca -0.07 0.25 0.09 0.00 0.00 0.00 0.00 54.91 55.18 1s4d h ALA 113 Cb 0.61 0.43 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 1s4d h ALA 113 CO 0.12 -0.44 0.36 1.25 0.00 0.00 0.00 179.25 180.54 1s4d h LEU 114 N 0.11 0.48 -1.00 0.00 5.85 -0.79 0.37 115.31 120.32 1s4d h LEU 114 Ca 0.45 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 59.13 1s4d h LEU 114 Cb 0.82 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 1s4d h LEU 114 CO -0.70 0.27 -0.38 0.74 -0.34 0.00 0.00 178.44 178.04 1s4d h THR 115 N 0.62 1.30 -0.38 1.05 2.02 -0.02 -2.74 112.91 114.75 1s4d h THR 115 Ca 0.35 -1.44 -0.04 0.00 0.77 0.00 0.00 66.41 66.06 1s4d h THR 115 Cb 0.36 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 1s4d h THR 115 CO -0.26 0.43 0.09 -0.07 0.37 0.00 0.00 175.52 176.07 1s4d h LEU 116 N 0.20 0.58 -0.67 2.58 4.07 0.18 -2.97 115.31 119.28 1s4d h LEU 116 Ca 0.02 -0.24 -0.00 0.00 0.08 0.00 0.00 57.88 57.74 1s4d h LEU 116 Cb 0.76 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.32 1s4d h LEU 116 CO 0.06 0.67 0.40 0.58 -1.08 0.00 0.00 178.44 179.07 1s4d h VAL 117 N 0.47 1.20 0.00 1.22 2.07 -0.39 0.13 116.25 120.95 1s4d h VAL 117 Ca 0.12 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1s4d h VAL 117 Cb 0.32 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1s4d h VAL 117 CO 0.00 0.21 0.10 1.21 0.02 0.00 0.00 177.57 179.11 1s4d n GLU 118 N -4.56 0.00 -0.64 1.57 2.13 -1.04 -4.25 120.64 113.85 1s4d n GLU 118 Ca 0.05 0.37 0.03 0.00 0.66 0.00 0.00 57.16 58.27 1s4d n GLU 118 Cb 0.06 -1.60 0.05 0.00 0.27 0.00 0.00 31.44 30.22 1s4d n GLU 118 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1s4d n HIS 119 N -1.36 0.00 -2.83 4.31 8.25 -1.03 -4.96 115.22 117.60 1s4d n HIS 119 Ca 0.00 -0.43 -0.43 0.00 -0.26 0.00 0.00 57.72 56.60 1s4d n HIS 119 Cb 0.10 -0.11 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 1s4d n HIS 119 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1s4d s GLN 120 N -0.84 3.37 -0.23 -0.41 -1.52 -1.26 -5.02 119.66 113.75 1s4d s GLN 120 Ca 0.17 -1.20 -0.12 0.00 -1.95 0.00 0.00 55.36 52.26 1s4d s GLN 120 Cb 0.17 -4.64 -0.05 0.00 -0.22 0.00 0.00 33.01 28.27 1s4d s GLN 120 CO -0.04 -1.87 0.23 0.08 -0.25 0.00 0.00 175.29 173.45 1s4d s VAL 121 N 3.73 5.31 0.50 1.09 1.01 0.44 -5.01 120.40 127.48 1s4d s VAL 121 Ca 0.30 0.34 -0.23 0.00 0.00 0.00 0.00 61.98 62.39 1s4d s VAL 121 Cb -0.09 -3.57 -0.07 0.00 0.00 0.00 0.00 36.38 32.65 1s4d s VAL 121 CO 0.00 0.31 1.31 -2.65 0.00 0.00 0.00 175.10 174.07 1s4d n PRO 122 N 4.36 1.78 -3.70 2.72 -0.02 -1.26 -4.31 135.00 134.57 1s4d n PRO 122 Ca -0.13 0.65 -0.12 0.00 -2.02 0.00 0.00 63.50 61.87 1s4d n PRO 122 Cb 0.52 -2.49 -0.07 0.00 -0.02 0.00 0.00 33.50 31.44 1s4d n PRO 122 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1s4d s PHE 123 N -1.27 -0.21 0.02 6.00 -0.12 -1.26 -1.02 117.98 120.12 1s4d s PHE 123 Ca 0.67 0.15 0.08 0.00 -0.05 0.00 0.00 56.93 57.78 1s4d s PHE 123 Cb -0.45 0.17 -0.02 0.00 -0.63 0.00 0.00 43.02 42.09 1s4d s PHE 123 CO 0.53 -0.54 -0.23 0.50 -0.05 0.00 0.00 175.22 175.43 1s4d s ARG 124 N -2.41 1.72 -0.10 1.99 3.52 -0.76 -4.96 118.95 117.94 1s4d s ARG 124 Ca -0.06 -0.93 -0.13 0.00 -0.13 0.00 0.00 55.73 54.47 1s4d s ARG 124 Cb -0.01 -1.77 -0.05 0.00 -1.56 0.00 0.00 34.95 31.56 1s4d s ARG 124 CO -0.02 0.47 0.32 0.42 -0.81 0.00 0.00 175.30 175.68 1s4d s ILE 125 N -0.68 5.24 -0.44 4.11 -1.09 -1.26 -0.88 121.20 126.20 1s4d s ILE 125 Ca 0.09 0.62 0.03 0.00 -2.23 0.00 0.00 60.65 59.17 1s4d s ILE 125 Cb -0.09 -3.64 0.12 0.00 -1.58 0.00 0.00 42.46 37.27 1s4d s ILE 125 CO 0.01 0.48 0.17 -0.69 -1.23 0.00 0.00 174.94 173.67 1s4d s VAL 126 N -0.21 2.52 0.34 2.92 1.01 0.29 -4.96 120.40 122.31 1s4d s VAL 126 Ca 0.19 -2.82 -0.24 0.00 0.00 0.00 0.00 61.98 59.11 1s4d s VAL 126 Cb -0.14 -2.79 -0.15 0.00 0.00 0.00 0.00 36.38 33.30 1s4d s VAL 126 CO 0.07 -0.71 0.49 -2.65 0.00 0.00 0.00 175.10 172.31 1s4d n PRO 127 N 3.70 0.39 -4.39 2.72 -0.02 -1.26 -1.05 135.00 135.09 1s4d n PRO 127 Ca 0.04 0.14 -0.19 0.00 -2.02 0.00 0.00 63.50 61.47 1s4d n PRO 127 Cb 0.37 -1.30 -0.10 0.00 -0.02 0.00 0.00 33.50 32.45 1s4d n PRO 127 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1s4d s GLY 128 N -0.92 1.87 0.15 -1.23 0.00 -1.26 -4.49 107.32 101.43 1s4d s GLY 128 Ca 0.62 -1.95 -0.31 0.00 0.00 0.00 0.00 44.72 43.08 1s4d s GLY 128 CO 0.59 -1.73 1.56 -0.42 0.00 0.00 0.00 173.10 173.10 1s4d s ILE 129 N -3.44 2.75 0.13 0.90 -1.09 -1.26 -4.29 121.20 114.90 1s4d s ILE 129 Ca 0.35 0.51 -0.05 0.00 -2.23 0.00 0.00 60.65 59.23 1s4d s ILE 129 Cb 0.08 -3.33 -0.06 0.00 -1.58 0.00 0.00 42.46 37.58 1s4d s ILE 129 CO 0.14 0.03 0.37 0.28 -1.23 0.00 0.00 174.94 174.53 1s4d s THR 130 N 1.34 5.16 0.29 2.92 -1.32 -1.26 -3.42 115.64 119.35 1s4d s THR 130 Ca 0.70 0.08 0.02 0.00 -1.21 0.00 0.00 61.69 61.28 1s4d s THR 130 Cb -0.42 -3.62 0.09 0.00 -1.51 0.00 0.00 72.50 67.04 1s4d s THR 130 CO 0.31 0.08 1.76 0.00 -2.21 0.00 0.00 174.62 174.56 1s4d h ALA 131 N 2.96 1.15 -1.15 11.08 0.00 -1.95 -1.91 119.26 129.44 1s4d h ALA 131 Ca -0.46 -0.30 0.41 0.00 0.00 0.00 0.00 54.91 54.55 1s4d h ALA 131 Cb 1.17 -0.14 -0.15 0.00 0.00 0.00 0.00 17.79 18.67 1s4d h ALA 131 CO 0.72 0.53 0.70 0.78 0.00 0.00 0.00 179.25 181.98 1s4d h GLY 132 N 0.96 1.77 0.00 0.00 0.00 -1.97 -2.69 103.07 101.14 1s4d h GLY 132 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1s4d h GLY 132 CO 0.04 -0.55 -0.30 1.39 0.00 0.00 0.00 176.54 177.12 1s4d n ILE 133 N -4.95 0.99 -0.14 2.60 5.41 -0.78 -4.45 119.36 118.05 1s4d n ILE 133 Ca 0.36 0.27 -0.11 0.00 1.00 0.00 0.00 62.75 64.28 1s4d n ILE 133 Cb 1.29 -1.71 -0.01 0.00 -0.71 0.00 0.00 39.64 38.49 1s4d n ILE 133 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1s4d h GLY 134 N -0.30 0.85 0.23 7.39 0.00 -1.57 -0.66 103.07 109.01 1s4d h GLY 134 Ca 0.00 -0.70 0.06 0.00 0.00 0.00 0.00 47.33 46.70 1s4d h GLY 134 CO 0.00 0.64 -0.19 -1.33 0.00 0.00 0.00 176.54 175.66 1s4d h GLY 135 N 0.61 -0.03 0.88 4.60 0.00 -1.54 0.03 103.07 107.61 1s4d h GLY 135 Ca 0.11 0.23 0.04 0.00 0.00 0.00 0.00 47.33 47.71 1s4d h GLY 135 CO 0.04 -0.18 0.65 1.41 0.00 0.00 0.00 176.54 178.46 1s4d h LEU 136 N -0.17 1.09 -1.65 3.11 3.38 -1.36 0.38 115.31 120.08 1s4d h LEU 136 Ca 0.14 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.20 1s4d h LEU 136 Cb 0.39 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1s4d h LEU 136 CO -0.36 0.74 0.40 0.00 0.09 0.00 0.00 178.44 179.31 1s4d h ALA 137 N 1.41 2.04 0.00 1.53 0.00 0.54 0.12 119.26 124.89 1s4d h ALA 137 Ca 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1s4d h ALA 137 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1s4d h ALA 137 CO -0.13 -0.17 0.00 0.66 0.00 0.00 0.00 179.25 179.61 1s4d n TYR 138 N -4.47 0.00 0.25 0.00 4.02 0.11 -1.62 117.16 115.45 1s4d n TYR 138 Ca 0.10 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 58.03 1s4d n TYR 138 Cb 0.38 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.76 1s4d n TYR 138 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1s4d n ALA 139 N -0.89 2.41 -1.54 -0.72 0.00 0.36 -4.68 120.51 115.45 1s4d n ALA 139 Ca 0.17 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1s4d n ALA 139 Cb 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.23 1s4d n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4d n GLY 140 N 0.43 0.43 3.07 0.00 0.00 -0.64 -4.53 105.19 103.95 1s4d n GLY 140 Ca 0.06 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 1s4d n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s4d s ILE 141 N -2.00 2.37 0.23 -0.61 1.01 -0.94 -3.24 121.20 118.02 1s4d s ILE 141 Ca 0.00 -1.86 -0.30 0.00 0.00 0.00 0.00 60.65 58.49 1s4d s ILE 141 Cb 0.00 -2.52 -0.09 0.00 0.01 0.00 0.00 42.46 39.86 1s4d s ILE 141 CO 0.00 -0.26 1.26 -2.84 0.00 0.00 0.00 174.94 173.10 1s4d s PRO 142 N 1.06 4.43 0.23 2.79 0.02 -1.26 -3.59 135.00 138.68 1s4d s PRO 142 Ca -0.01 2.02 0.23 0.00 0.02 0.00 0.00 61.00 63.26 1s4d s PRO 142 Cb -0.20 -3.18 0.94 0.00 0.02 0.00 0.00 34.50 32.08 1s4d s PRO 142 CO -0.05 -0.15 1.69 1.55 -0.33 0.00 0.00 177.00 179.70 1s4d n VAL 143 N 2.09 0.83 -3.75 3.83 3.14 -1.26 -4.76 118.33 118.45 1s4d n VAL 143 Ca 0.04 0.21 -0.13 0.00 -2.96 0.00 0.00 64.34 61.50 1s4d n VAL 143 Cb 0.43 -1.12 -0.10 0.00 -1.06 0.00 0.00 33.84 31.99 1s4d n VAL 143 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1s4d s THR 144 N -3.28 0.02 -0.30 1.55 2.01 -1.26 -4.83 115.64 109.55 1s4d s THR 144 Ca 0.05 -0.13 -0.13 0.00 0.31 0.00 0.00 61.69 61.79 1s4d s THR 144 Cb 0.09 -0.54 0.17 0.00 0.01 0.00 0.00 72.50 72.23 1s4d s THR 144 CO 0.39 -0.07 0.97 -2.28 -0.69 0.00 0.00 174.62 172.94 1s4d s HIS 145 N -0.23 -0.71 0.35 4.92 5.04 -1.26 -5.05 115.29 118.35 1s4d s HIS 145 Ca -0.04 1.05 0.16 0.00 -1.54 0.00 0.00 55.06 54.70 1s4d s HIS 145 Cb -0.03 0.36 1.13 0.00 0.04 0.00 0.00 32.58 34.08 1s4d s HIS 145 CO 0.02 -0.37 1.66 -0.09 -2.34 0.00 0.00 174.74 173.62 1s4d h ARG 146 N 7.67 0.28 0.00 2.88 2.43 -2.02 0.18 114.38 125.79 1s4d h ARG 146 Ca -0.16 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1s4d h ARG 146 Cb 1.13 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1s4d h ARG 146 CO 0.05 0.19 0.00 0.39 -1.51 0.00 0.00 179.97 179.09 1s4d n GLU 147 N -5.03 0.29 0.00 0.20 1.02 -1.26 -4.10 120.64 111.76 1s4d n GLU 147 Ca 0.32 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 1s4d n GLU 147 Cb 1.03 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.95 1s4d n GLU 147 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1s4d n VAL 148 N -1.31 0.00 -3.64 2.62 0.31 0.53 -5.12 118.33 111.73 1s4d n VAL 148 Ca 0.10 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.29 1s4d n VAL 148 Cb 0.19 -1.01 -0.07 0.00 -0.91 0.00 0.00 33.84 32.05 1s4d n VAL 148 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1s4d s ASN 149 N -4.55 -0.38 0.00 4.52 6.03 -0.69 -4.81 114.94 115.05 1s4d s ASN 149 Ca 0.00 0.22 0.00 0.00 -1.03 0.00 0.00 52.86 52.05 1s4d s ASN 149 Cb 0.00 0.44 0.00 0.00 -3.03 0.00 0.00 41.25 38.66 1s4d s ASN 149 CO 0.00 -0.61 0.35 1.41 -2.03 0.00 0.00 177.10 176.22 1s4d n HIS 150 N 0.76 0.00 -4.18 1.54 8.25 -1.26 -4.29 115.22 116.04 1s4d n HIS 150 Ca -0.19 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.15 1s4d n HIS 150 Cb 0.58 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.59 1s4d n HIS 150 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s4d s ALA 151 N -0.19 1.05 -0.12 -1.41 0.00 -1.26 -5.14 121.76 114.68 1s4d s ALA 151 Ca 0.00 -1.34 -0.09 0.00 0.00 0.00 0.00 51.96 50.53 1s4d s ALA 151 Cb 0.00 0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.29 1s4d s ALA 151 CO 0.00 -0.19 0.31 0.08 0.00 0.00 0.00 175.76 175.96 1s4d s VAL 152 N -3.43 -0.01 -0.21 0.00 1.01 -1.26 -4.27 120.40 112.24 1s4d s VAL 152 Ca 0.11 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 62.09 1s4d s VAL 152 Cb 0.04 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 1s4d s VAL 152 CO -0.03 0.02 0.01 -0.89 0.00 0.00 0.00 175.10 174.21 1s4d s THR 153 N 0.64 4.03 -0.08 3.92 2.01 -0.87 -5.02 115.64 120.27 1s4d s THR 153 Ca -0.04 -0.28 -0.11 0.00 0.31 0.00 0.00 61.69 61.57 1s4d s THR 153 Cb -0.05 -2.83 -0.05 0.00 0.01 0.00 0.00 72.50 69.58 1s4d s THR 153 CO -0.04 0.42 0.26 -0.36 -0.69 0.00 0.00 174.62 174.20 1s4d s PHE 154 N 1.07 3.64 0.16 4.92 2.99 -1.26 -0.54 117.98 128.96 1s4d s PHE 154 Ca 0.03 0.71 -0.09 0.00 0.00 0.00 0.00 56.93 57.58 1s4d s PHE 154 Cb -0.14 -2.12 -0.01 0.00 0.00 0.00 0.00 43.02 40.75 1s4d s PHE 154 CO 0.02 0.65 0.29 -0.48 -0.00 0.00 0.00 175.22 175.70 1s4d s LEU 155 N -0.89 0.93 -0.14 -0.37 2.34 -0.11 -4.95 118.68 115.50 1s4d s LEU 155 Ca 0.18 -0.84 -0.04 0.00 0.06 0.00 0.00 54.13 53.49 1s4d s LEU 155 Cb -0.14 1.23 -0.03 0.00 -0.56 0.00 0.00 46.19 46.69 1s4d s LEU 155 CO 0.08 -0.89 0.02 -0.89 -1.06 0.00 0.00 176.35 173.60 1s4d s THR 156 N -3.96 4.42 -2.14 5.48 2.01 -1.26 0.18 115.64 120.37 1s4d s THR 156 Ca 0.16 -0.18 0.22 0.00 0.31 0.00 0.00 61.69 62.20 1s4d s THR 156 Cb 0.03 -2.93 0.56 0.00 0.01 0.00 0.00 72.50 70.17 1s4d s THR 156 CO -0.01 0.53 1.48 0.61 -0.69 0.00 0.00 174.62 176.55 1s4d n GLY 157 N 2.96 2.04 0.23 4.40 0.00 -0.20 -4.67 105.19 109.96 1s4d n GLY 157 Ca -0.18 -0.74 -0.02 0.00 0.00 0.00 0.00 46.02 45.09 1s4d n GLY 157 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1s4d h HIS 158 N 4.11 0.51 -0.64 1.61 2.76 -1.75 -2.59 115.15 119.16 1s4d h HIS 158 Ca 0.00 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.10 1s4d h HIS 158 Cb 0.93 -0.14 -0.06 0.00 1.55 0.00 0.00 27.41 29.69 1s4d h HIS 158 CO 0.39 0.21 0.11 -0.25 -1.30 0.00 0.00 177.93 177.10 1s4d n ASP 159 N -4.90 5.32 -2.83 3.26 9.92 -1.26 -4.69 116.55 121.37 1s4d n ASP 159 Ca 0.07 -3.07 -0.34 0.00 -0.53 0.00 0.00 54.79 50.92 1s4d n ASP 159 Cb 0.20 -0.71 0.02 0.00 -0.64 0.00 0.00 41.12 39.99 1s4d n ASP 159 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1s4d n SER 160 N 0.25 6.18 0.16 -2.24 7.64 -0.98 -4.23 113.62 120.40 1s4d n SER 160 Ca 0.33 -3.77 0.01 0.00 1.01 0.00 0.00 58.87 56.45 1s4d n SER 160 Cb 1.28 -0.80 0.26 0.00 -1.01 0.00 0.00 64.21 63.94 1s4d n SER 160 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1s4d h SER 161 N 2.96 0.01 0.00 6.43 4.64 -1.84 -3.42 113.55 122.33 1s4d h SER 161 Ca 0.43 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1s4d h SER 161 Cb 0.43 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1s4d h SER 161 CO 1.14 0.50 0.00 0.61 -0.87 0.00 0.00 176.83 178.20 1s4d n GLY 162 N -0.11 0.87 3.62 -0.77 0.00 -1.26 -4.82 105.19 102.72 1s4d n GLY 162 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1s4d n GLY 162 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1s4d s LEU 163 N 0.00 0.64 -0.17 0.99 0.20 -1.26 -5.08 118.68 113.99 1s4d s LEU 163 Ca 0.00 -1.38 -0.15 0.00 0.69 0.00 0.00 54.13 53.29 1s4d s LEU 163 Cb 0.00 2.03 -0.07 0.00 -0.43 0.00 0.00 46.19 47.72 1s4d s LEU 163 CO 0.00 -1.47 0.72 0.52 -0.29 0.00 0.00 176.35 175.83 1s4d n VAL 164 N -0.56 0.00 -3.47 1.68 0.31 -1.26 -4.43 118.33 110.60 1s4d n VAL 164 Ca -0.03 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.08 1s4d n VAL 164 Cb 0.61 -0.17 -0.01 0.00 -0.91 0.00 0.00 33.84 33.35 1s4d n VAL 164 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1s4d s PRO 165 N 1.96 3.39 0.84 5.55 0.05 -1.26 -5.01 135.00 140.52 1s4d s PRO 165 Ca 0.41 -0.51 -0.15 0.00 0.05 0.00 0.00 61.00 60.81 1s4d s PRO 165 Cb -0.52 -2.71 -0.01 0.00 0.05 0.00 0.00 34.50 31.31 1s4d s PRO 165 CO 0.24 0.15 0.40 -0.25 0.05 0.00 0.00 177.00 177.58 1s4d n ASP 166 N -1.73 -1.88 -3.75 6.66 8.00 -1.26 -4.87 116.55 117.72 1s4d n ASP 166 Ca -0.05 0.45 -0.42 0.00 0.71 0.00 0.00 54.79 55.48 1s4d n ASP 166 Cb 0.57 -1.19 0.00 0.00 -0.02 0.00 0.00 41.12 40.48 1s4d n ASP 166 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1s4d n ARG 167 N -1.01 3.54 -4.70 -1.24 1.85 -1.26 -4.86 116.66 108.97 1s4d n ARG 167 Ca 0.08 -3.19 -0.30 0.00 -1.00 0.00 0.00 57.85 53.43 1s4d n ARG 167 Cb 0.52 -2.98 -0.17 0.00 -1.05 0.00 0.00 32.46 28.78 1s4d n ARG 167 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1s4d s ILE 168 N 1.05 1.79 -0.93 8.89 1.01 -1.26 -5.06 121.20 126.70 1s4d s ILE 168 Ca 0.45 -0.83 -0.23 0.00 0.00 0.00 0.00 60.65 60.04 1s4d s ILE 168 Cb 0.12 -1.60 0.06 0.00 0.01 0.00 0.00 42.46 41.06 1s4d s ILE 168 CO -0.04 0.50 1.33 0.21 0.00 0.00 0.00 174.94 176.94 1s4d s ASN 169 N 0.76 6.45 0.21 3.58 3.84 -1.26 -4.89 114.94 123.63 1s4d s ASN 169 Ca -0.10 -1.37 -0.10 0.00 0.21 0.00 0.00 52.86 51.50 1s4d s ASN 169 Cb -0.16 -2.53 0.15 0.00 -0.55 0.00 0.00 41.25 38.17 1s4d s ASN 169 CO 0.01 -1.48 1.85 -0.50 -2.79 0.00 0.00 177.10 174.20 1s4d h TRP 170 N 9.64 0.99 -0.62 0.43 4.06 -1.97 0.44 115.95 128.93 1s4d h TRP 170 Ca 0.08 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.03 1s4d h TRP 170 Cb 1.02 -0.33 -0.03 0.00 -1.00 0.00 0.00 29.16 28.83 1s4d h TRP 170 CO 1.21 0.66 0.37 0.37 -3.56 0.00 0.00 178.44 177.49 1s4d h GLN 171 N 1.04 0.85 -0.37 0.49 5.75 -1.90 0.57 115.11 121.54 1s4d h GLN 171 Ca 0.27 -0.08 0.02 0.00 -0.15 0.00 0.00 58.65 58.71 1s4d h GLN 171 Cb -0.05 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.30 1s4d h GLN 171 CO -0.05 0.61 0.19 0.78 -2.65 0.00 0.00 178.83 177.72 1s4d h GLY 172 N 0.84 0.50 1.04 2.39 0.00 -1.85 0.98 103.07 106.97 1s4d h GLY 172 Ca 0.22 -0.14 -0.07 0.00 0.00 0.00 0.00 47.33 47.34 1s4d h GLY 172 CO -0.04 0.11 0.12 -2.22 0.00 0.00 0.00 176.54 174.51 1s4d h ILE 173 N 0.40 1.26 -0.65 2.60 2.04 -0.31 0.18 117.51 123.02 1s4d h ILE 173 Ca 0.15 -0.99 0.07 0.00 1.00 0.00 0.00 64.86 65.09 1s4d h ILE 173 Cb 0.04 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 36.75 1s4d h ILE 173 CO -0.09 0.37 0.34 0.00 0.00 0.00 0.00 178.15 178.76 1s4d h ALA 174 N 1.03 0.88 0.25 1.87 0.00 0.48 -3.25 119.26 120.52 1s4d h ALA 174 Ca 0.19 0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.80 1s4d h ALA 174 Cb 0.41 -0.08 0.04 0.00 0.00 0.00 0.00 17.79 18.16 1s4d h ALA 174 CO 0.01 -0.02 -1.48 0.77 0.00 0.00 0.00 179.25 178.53 1s4d h SER 175 N 0.61 0.82 -0.92 0.00 0.02 -0.28 -3.40 113.55 110.40 1s4d h SER 175 Ca 0.31 -0.92 0.10 0.00 -0.84 0.00 0.00 61.79 60.43 1s4d h SER 175 Cb 0.25 -0.27 -0.07 0.00 0.14 0.00 0.00 62.40 62.46 1s4d h SER 175 CO -0.22 1.71 0.59 1.23 -1.14 0.00 0.00 176.83 179.00 1s4d h GLY 176 N 0.17 1.36 -5.52 -3.77 0.00 -0.69 -3.43 103.07 91.17 1s4d h GLY 176 Ca -0.26 -0.38 -0.18 0.00 0.00 0.00 0.00 47.33 46.51 1s4d h GLY 176 CO 0.26 0.21 -0.47 -0.56 0.00 0.00 0.00 176.54 175.98 1s4d s SER 177 N -5.88 -0.23 0.19 0.19 0.01 -1.26 -4.88 113.70 101.84 1s4d s SER 177 Ca -0.11 0.46 0.20 0.00 1.31 0.00 0.00 55.95 57.81 1s4d s SER 177 Cb 0.21 0.44 0.87 0.00 0.21 0.00 0.00 66.02 67.75 1s4d s SER 177 CO 0.80 -0.10 1.63 -0.81 0.41 0.00 0.00 173.24 175.17 1s4d n PRO 178 N 3.23 0.14 -4.75 12.44 -0.04 -1.26 -4.60 135.00 140.16 1s4d n PRO 178 Ca -0.15 0.39 -0.33 0.00 -0.04 0.00 0.00 63.50 63.37 1s4d n PRO 178 Cb 0.57 -1.77 -0.16 0.00 -0.04 0.00 0.00 33.50 32.10 1s4d n PRO 178 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1s4d s VAL 179 N -3.24 2.31 -0.12 0.52 1.01 -1.26 -4.33 120.40 115.30 1s4d s VAL 179 Ca 0.04 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1s4d s VAL 179 Cb 0.09 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 1s4d s VAL 179 CO 0.34 0.54 -0.13 -0.63 0.00 0.00 0.00 175.10 175.21 1s4d s ILE 180 N 0.69 3.05 -0.18 2.22 -1.09 -0.51 -2.04 121.20 123.32 1s4d s ILE 180 Ca -0.09 -0.67 -0.00 0.00 -2.23 0.00 0.00 60.65 57.65 1s4d s ILE 180 Cb -0.16 -2.26 0.01 0.00 -1.58 0.00 0.00 42.46 38.47 1s4d s ILE 180 CO 0.01 0.54 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.41 1s4d s VAL 181 N 0.16 2.43 -0.16 2.92 1.01 0.30 -0.42 120.40 126.64 1s4d s VAL 181 Ca -0.07 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.11 1s4d s VAL 181 Cb -0.15 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.20 1s4d s VAL 181 CO 0.05 0.51 -0.21 -0.04 0.00 0.00 0.00 175.10 175.41 1s4d s MET 182 N 1.25 2.96 -0.01 2.72 1.00 0.16 -0.93 119.30 126.45 1s4d s MET 182 Ca 0.03 -0.83 -0.06 0.00 0.00 0.00 0.00 55.69 54.84 1s4d s MET 182 Cb -0.14 -2.46 -0.04 0.00 0.00 0.00 0.00 34.83 32.19 1s4d s MET 182 CO -0.09 -0.10 0.24 0.71 0.00 0.00 0.00 175.02 175.78 1s4d s TYR 183 N 1.03 3.58 -1.14 -0.03 1.51 0.13 -1.90 117.35 120.51 1s4d s TYR 183 Ca -0.02 0.53 -0.04 0.00 -1.01 0.00 0.00 57.07 56.52 1s4d s TYR 183 Cb -0.14 -1.95 0.00 0.00 -0.11 0.00 0.00 41.96 39.76 1s4d s TYR 183 CO -0.07 0.64 0.98 -1.33 -1.11 0.00 0.00 175.55 174.66 1s4d n MET 184 N 1.20 -6.55 -0.03 -0.62 2.81 -1.26 -1.03 117.12 111.64 1s4d n MET 184 Ca -0.12 0.75 0.01 0.00 -1.81 0.00 0.00 57.70 56.53 1s4d n MET 184 Cb 0.53 -5.51 0.03 0.00 -0.71 0.00 0.00 33.22 27.56 1s4d n MET 184 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1s4d n ALA 185 N -4.29 2.14 0.06 3.04 0.00 -1.26 -2.84 120.51 117.36 1s4d n ALA 185 Ca -0.12 -0.92 -0.12 0.00 0.00 0.00 0.00 53.44 52.29 1s4d n ALA 185 Cb 0.60 -0.09 -0.08 0.00 0.00 0.00 0.00 19.45 19.87 1s4d n ALA 185 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1s4d h MET 186 N 0.46 -0.20 -0.77 0.00 2.86 -1.91 -2.10 114.93 113.27 1s4d h MET 186 Ca 0.00 0.01 0.17 0.00 -2.06 0.00 0.00 59.70 57.82 1s4d h MET 186 Cb 0.45 0.05 -0.11 0.00 0.06 0.00 0.00 31.60 32.05 1s4d h MET 186 CO 0.00 0.23 0.23 -0.22 1.06 0.00 0.00 176.91 178.21 1s4d h LYS 187 N -0.75 0.31 -0.62 1.72 3.64 -1.95 -2.19 116.57 116.72 1s4d h LYS 187 Ca -0.02 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1s4d h LYS 187 Cb 0.52 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1s4d h LYS 187 CO 0.04 0.21 0.00 0.72 -2.27 0.00 0.00 179.45 178.14 1s4d n HIS 188 N -5.11 1.48 -0.19 1.91 8.25 -1.24 -4.61 115.22 115.70 1s4d n HIS 188 Ca 0.15 -0.63 -0.03 0.00 -0.26 0.00 0.00 57.72 56.96 1s4d n HIS 188 Cb 0.48 -0.26 0.07 0.00 1.12 0.00 0.00 29.99 31.40 1s4d n HIS 188 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 1s4d h ILE 189 N 3.94 0.94 -0.79 1.59 6.09 -0.70 -0.03 117.51 128.54 1s4d h ILE 189 Ca 0.00 -0.19 0.12 0.00 -1.37 0.00 0.00 64.86 63.42 1s4d h ILE 189 Cb 1.47 0.34 -0.13 0.00 0.47 0.00 0.00 36.82 38.97 1s4d h ILE 189 CO 0.24 0.10 -0.40 1.23 -3.07 0.00 0.00 178.15 176.26 1s4d h GLY 190 N 0.55 -0.17 1.76 8.18 0.00 -1.82 -0.58 103.07 111.00 1s4d h GLY 190 Ca 0.26 0.53 -0.22 0.00 0.00 0.00 0.00 47.33 47.89 1s4d h GLY 190 CO -0.18 -0.18 -1.01 0.00 0.00 0.00 0.00 176.54 175.17 1s4d h ALA 191 N 1.03 0.36 -0.23 3.60 0.00 -1.47 -2.25 119.26 120.31 1s4d h ALA 191 Ca 0.26 -0.80 -0.07 0.00 0.00 0.00 0.00 54.91 54.30 1s4d h ALA 191 Cb 0.56 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1s4d h ALA 191 CO -0.83 0.98 -0.14 0.82 0.00 0.00 0.00 179.25 180.08 1s4d h ILE 192 N 0.09 1.31 -0.75 0.00 2.04 -0.68 0.25 117.51 119.76 1s4d h ILE 192 Ca -0.07 -1.25 0.01 0.00 1.00 0.00 0.00 64.86 64.56 1s4d h ILE 192 Cb 1.69 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 39.36 1s4d h ILE 192 CO 0.16 0.38 0.50 0.00 0.00 0.00 0.00 178.15 179.19 1s4d h THR 193 N 0.20 1.19 -0.72 -0.27 1.03 -1.15 -1.62 112.91 111.57 1s4d h THR 193 Ca 0.05 -0.35 -0.06 0.00 -0.01 0.00 0.00 66.41 66.04 1s4d h THR 193 Cb 0.66 0.08 -0.03 0.00 -1.07 0.00 0.00 68.15 67.79 1s4d h THR 193 CO 0.04 0.19 0.23 0.00 -0.01 0.00 0.00 175.52 175.96 1s4d h ALA 194 N 1.28 1.04 -0.16 0.00 0.00 -1.02 -1.67 119.26 118.73 1s4d h ALA 194 Ca 0.28 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1s4d h ALA 194 Cb -0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1s4d h ALA 194 CO -0.06 0.65 0.09 -0.91 0.00 0.00 0.00 179.25 179.02 1s4d h ASN 195 N 1.07 0.15 -0.36 0.00 2.35 -0.06 0.26 115.58 119.00 1s4d h ASN 195 Ca 0.23 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.97 1s4d h ASN 195 Cb 0.29 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1s4d h ASN 195 CO -0.01 0.11 0.19 -0.07 -1.65 0.00 0.00 177.43 176.00 1s4d h LEU 196 N 0.19 0.46 -1.00 1.61 -0.00 -1.22 0.04 115.31 115.40 1s4d h LEU 196 Ca 0.06 -0.11 0.08 0.00 -0.00 0.00 0.00 57.88 57.92 1s4d h LEU 196 Cb -0.01 -0.12 -0.07 0.00 -0.00 0.00 0.00 40.66 40.46 1s4d h LEU 196 CO -0.03 0.44 0.64 0.40 -0.00 0.00 0.00 178.44 179.89 1s4d h ILE 197 N 0.45 1.04 0.00 1.22 2.04 -1.13 -0.51 117.51 120.62 1s4d h ILE 197 Ca 0.13 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1s4d h ILE 197 Cb 0.09 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 35.99 1s4d h ILE 197 CO -0.02 0.20 0.00 0.00 0.00 0.00 0.00 178.15 178.33 1s4d h ALA 198 N 1.48 1.00 -0.40 1.87 0.00 -0.08 -2.22 119.26 120.91 1s4d h ALA 198 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1s4d h ALA 198 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1s4d h ALA 198 CO -0.20 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.46 1s4d n GLY 199 N 0.45 0.94 0.00 0.00 0.00 -0.08 -4.93 105.19 101.57 1s4d n GLY 199 Ca 0.02 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1s4d n GLY 199 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s4d n GLY 200 N 1.19 2.39 3.64 -0.02 0.00 -0.83 -4.66 105.19 106.88 1s4d n GLY 200 Ca 0.15 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.70 1s4d n GLY 200 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4d n ARG 201 N -1.81 1.70 -2.05 1.61 5.12 -0.90 -4.92 116.66 115.40 1s4d n ARG 201 Ca 0.00 0.61 -0.41 0.00 -1.93 0.00 0.00 57.85 56.11 1s4d n ARG 201 Cb 0.00 -2.20 -0.02 0.00 -1.16 0.00 0.00 32.46 29.07 1s4d n ARG 201 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1s4d s SER 202 N 0.18 6.70 1.07 0.55 0.15 -1.26 -4.26 113.70 116.84 1s4d s SER 202 Ca 0.70 2.64 -0.14 0.00 0.70 0.00 0.00 55.95 59.85 1s4d s SER 202 Cb -0.73 -2.63 0.15 0.00 -1.71 0.00 0.00 66.02 61.11 1s4d s SER 202 CO 0.50 -0.65 0.55 -0.81 1.20 0.00 0.00 173.24 174.03 1s4d n PRO 203 N 2.11 -1.40 -4.42 5.44 -0.04 -1.26 -2.39 135.00 133.03 1s4d n PRO 203 Ca 0.06 -0.37 -0.39 0.00 -0.04 0.00 0.00 63.50 62.76 1s4d n PRO 203 Cb 0.41 -1.97 -0.07 0.00 -0.04 0.00 0.00 33.50 31.82 1s4d n PRO 203 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1s4d n ASP 204 N -2.93 -1.37 -4.82 3.54 5.68 -1.26 -4.78 116.55 110.61 1s4d n ASP 204 Ca 0.04 -1.21 -0.38 0.00 -0.50 0.00 0.00 54.79 52.75 1s4d n ASP 204 Cb 0.56 -1.84 -0.06 0.00 -1.14 0.00 0.00 41.12 38.64 1s4d n ASP 204 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1s4d s GLU 205 N -7.20 3.89 0.46 0.11 2.12 -1.01 -4.83 118.70 112.24 1s4d s GLU 205 Ca 0.60 0.27 -0.25 0.00 0.36 0.00 0.00 54.97 55.95 1s4d s GLU 205 Cb -0.35 -3.25 -0.08 0.00 0.26 0.00 0.00 34.13 30.71 1s4d s GLU 205 CO 1.00 0.62 1.42 -2.14 -0.54 0.00 0.00 175.26 175.62 1s4d s PRO 206 N -0.79 3.62 0.04 4.30 0.02 -1.26 -1.68 135.00 139.25 1s4d s PRO 206 Ca 0.21 2.40 0.02 0.00 0.02 0.00 0.00 61.00 63.65 1s4d s PRO 206 Cb -0.15 -2.61 -0.02 0.00 0.02 0.00 0.00 34.50 31.74 1s4d s PRO 206 CO 0.10 -0.86 -0.07 0.08 -0.33 0.00 0.00 177.00 175.92 1s4d s VAL 207 N -1.21 0.50 -0.01 3.83 1.01 0.11 -2.16 120.40 122.47 1s4d s VAL 207 Ca 0.62 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1s4d s VAL 207 Cb -0.43 -0.62 -0.00 0.00 0.00 0.00 0.00 36.38 35.32 1s4d s VAL 207 CO 0.55 -0.42 -0.08 0.00 0.00 0.00 0.00 175.10 175.15 1s4d s ALA 208 N -1.50 0.72 -0.21 5.51 0.00 -0.47 -1.38 121.76 124.43 1s4d s ALA 208 Ca -0.10 -0.33 -0.09 0.00 0.00 0.00 0.00 51.96 51.45 1s4d s ALA 208 Cb -0.09 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1s4d s ALA 208 CO -0.00 0.15 0.11 -0.06 0.00 0.00 0.00 175.76 175.96 1s4d s PHE 209 N -0.04 3.29 -0.27 0.00 0.08 0.59 -1.41 117.98 120.22 1s4d s PHE 209 Ca 0.01 0.13 0.01 0.00 0.12 0.00 0.00 56.93 57.20 1s4d s PHE 209 Cb -0.05 -2.17 0.05 0.00 -0.57 0.00 0.00 43.02 40.28 1s4d s PHE 209 CO -0.00 0.11 -0.07 0.08 -0.10 0.00 0.00 175.22 175.24 1s4d s VAL 210 N 0.70 2.49 -0.16 -0.44 1.01 0.07 -1.10 120.40 122.97 1s4d s VAL 210 Ca 0.06 -1.52 -0.08 0.00 0.00 0.00 0.00 61.98 60.44 1s4d s VAL 210 Cb -0.13 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 1s4d s VAL 210 CO 0.02 -0.04 0.11 0.00 0.00 0.00 0.00 175.10 175.18 1s4d n ASN 212 N 2.86 -0.59 -4.60 0.00 3.02 -0.75 -1.32 115.26 113.88 1s4d n ASN 212 Ca -0.18 -0.96 -0.42 0.00 -0.03 0.00 0.00 54.58 52.99 1s4d n ASN 212 Cb 0.53 -3.28 0.01 0.00 -0.61 0.00 0.00 39.78 36.42 1s4d n ASN 212 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s4d n ALA 213 N -4.37 0.03 -3.11 5.41 0.00 -1.26 -3.06 120.51 114.15 1s4d n ALA 213 Ca -0.30 0.25 -0.18 0.00 0.00 0.00 0.00 53.44 53.22 1s4d n ALA 213 Cb 0.68 -2.06 0.05 0.00 0.00 0.00 0.00 19.45 18.12 1s4d n ALA 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s4d n ALA 214 N -0.38 -0.89 -2.58 0.00 0.00 -1.26 -4.48 120.51 110.92 1s4d n ALA 214 Ca 0.09 0.27 -0.09 0.00 0.00 0.00 0.00 53.44 53.72 1s4d n ALA 214 Cb 0.38 -3.80 -0.10 0.00 0.00 0.00 0.00 19.45 15.93 1s4d n ALA 214 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1s4d s THR 215 N -3.15 0.15 0.56 0.00 -4.23 -1.17 0.21 115.64 108.02 1s4d s THR 215 Ca 0.35 -1.27 0.27 0.00 -1.18 0.00 0.00 61.69 59.86 1s4d s THR 215 Cb -0.15 -0.97 0.39 0.00 1.34 0.00 0.00 72.50 73.11 1s4d s THR 215 CO 0.43 -0.70 1.98 -0.65 -0.54 0.00 0.00 174.62 175.14 1s4d h PRO 216 N 3.66 0.00 -0.17 3.99 0.11 -1.96 -1.21 132.00 136.43 1s4d h PRO 216 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1s4d h PRO 216 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1s4d h PRO 216 CO 0.53 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.36 1s4d n GLN 217 N -4.10 1.28 -1.68 1.05 3.00 -1.26 -4.95 117.38 110.72 1s4d n GLN 217 Ca 0.09 -0.41 -0.42 0.00 -0.01 0.00 0.00 57.00 56.24 1s4d n GLN 217 Cb 0.60 -1.12 -0.00 0.00 0.00 0.00 0.00 30.24 29.72 1s4d n GLN 217 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1s4d n GLN 218 N -0.15 1.94 -3.73 -1.09 7.27 -0.46 -4.73 117.38 116.42 1s4d n GLN 218 Ca 0.04 0.68 -0.12 0.00 0.07 0.00 0.00 57.00 57.67 1s4d n GLN 218 Cb 0.12 -2.27 -0.11 0.00 2.41 0.00 0.00 30.24 30.38 1s4d n GLN 218 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1s4d s ALA 219 N -1.14 -0.81 -0.04 1.69 0.00 -0.44 -4.99 121.76 116.05 1s4d s ALA 219 Ca 0.58 1.10 0.04 0.00 0.00 0.00 0.00 51.96 53.68 1s4d s ALA 219 Cb -0.56 -0.67 -0.00 0.00 0.00 0.00 0.00 23.12 21.89 1s4d s ALA 219 CO 0.60 -0.20 -0.16 0.08 0.00 0.00 0.00 175.76 176.09 1s4d s VAL 220 N 0.78 1.30 -0.11 0.00 1.01 -1.26 -0.28 120.40 121.84 1s4d s VAL 220 Ca -0.05 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1s4d s VAL 220 Cb -0.06 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.22 1s4d s VAL 220 CO -0.05 0.38 -0.18 -0.22 0.00 0.00 0.00 175.10 175.02 1s4d s LEU 221 N -0.00 1.88 -0.04 3.92 2.96 -0.26 -4.97 118.68 122.16 1s4d s LEU 221 Ca -0.02 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.37 1s4d s LEU 221 Cb -0.10 -1.21 -0.04 0.00 0.50 0.00 0.00 46.19 45.34 1s4d s LEU 221 CO 0.01 0.06 0.14 -1.61 -1.32 0.00 0.00 176.35 173.64 1s4d s GLU 222 N 0.79 3.35 0.00 1.98 2.02 -1.26 -0.30 118.70 125.28 1s4d s GLU 222 Ca -0.10 -0.30 0.00 0.00 0.02 0.00 0.00 54.97 54.59 1s4d s GLU 222 Cb -0.16 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.01 1s4d s GLU 222 CO 0.01 0.70 0.00 -2.37 0.02 0.00 0.00 175.26 173.62 1s4d n THR 223 N 1.33 0.00 -3.88 3.63 5.66 -0.48 -5.00 114.28 115.54 1s4d n THR 223 Ca -0.14 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.76 1s4d n THR 223 Cb 0.53 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.22 1s4d n THR 223 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1s4d s THR 224 N -2.36 0.11 0.24 1.09 -1.32 -1.26 0.10 115.64 112.24 1s4d s THR 224 Ca 0.00 -0.93 -0.05 0.00 -1.21 0.00 0.00 61.69 59.50 1s4d s THR 224 Cb 0.00 -0.84 0.21 0.00 -1.51 0.00 0.00 72.50 70.36 1s4d s THR 224 CO 0.00 -0.51 1.82 -0.07 -2.21 0.00 0.00 174.62 173.64 1s4d h LEU 225 N 3.64 0.69 -1.09 9.08 3.38 -1.58 -0.64 115.31 128.79 1s4d h LEU 225 Ca -0.32 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 1s4d h LEU 225 Cb 1.19 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1s4d h LEU 225 CO 0.48 0.41 -0.37 0.00 0.09 0.00 0.00 178.44 179.05 1s4d h ALA 226 N 1.44 1.24 -0.02 1.53 0.00 -1.86 -3.26 119.26 118.33 1s4d h ALA 226 Ca 0.39 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1s4d h ALA 226 Cb 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1s4d h ALA 226 CO -0.23 0.53 -0.45 0.54 0.00 0.00 0.00 179.25 179.64 1s4d n ARG 227 N -4.07 1.24 -0.04 0.00 1.74 -0.87 -4.60 116.66 110.05 1s4d n ARG 227 Ca -0.01 -1.02 -0.09 0.00 -0.77 0.00 0.00 57.85 55.96 1s4d n ARG 227 Cb 0.43 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.37 1s4d n ARG 227 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s4d h ALA 228 N 3.91 0.19 -0.08 7.54 0.00 -1.18 -0.24 119.26 129.42 1s4d h ALA 228 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1s4d h ALA 228 Cb 0.76 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1s4d h ALA 228 CO 0.00 -0.40 0.05 1.49 0.00 0.00 0.00 179.25 180.38 1s4d h GLU 229 N 0.10 0.10 -0.66 0.00 4.81 -1.82 0.44 114.58 117.55 1s4d h GLU 229 Ca 0.09 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.23 1s4d h GLU 229 Cb 0.10 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1s4d h GLU 229 CO -0.13 0.10 0.09 0.00 -0.73 0.00 0.00 179.01 178.34 1s4d h ALA 230 N 0.99 0.87 0.00 2.92 0.00 -1.82 -3.03 119.26 119.20 1s4d h ALA 230 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1s4d h ALA 230 Cb 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1s4d h ALA 230 CO -0.01 0.66 -0.94 -0.40 0.00 0.00 0.00 179.25 178.56 1s4d n ASP 231 N -4.22 0.75 -0.21 0.00 3.85 -0.12 -1.31 116.55 115.29 1s4d n ASP 231 Ca 0.04 -0.62 -0.07 0.00 -0.71 0.00 0.00 54.79 53.44 1s4d n ASP 231 Cb 0.30 0.84 0.03 0.00 -1.35 0.00 0.00 41.12 40.94 1s4d n ASP 231 CO 0.00 0.00 0.00 1.62 -1.01 0.00 0.00 177.20 177.81 1s4d h VAL 232 N 0.00 1.20 -0.37 2.12 3.04 -0.93 -0.48 116.25 120.83 1s4d h VAL 232 Ca 0.00 -0.51 -0.08 0.00 -1.01 0.00 0.00 66.70 65.10 1s4d h VAL 232 Cb 0.57 0.43 -0.02 0.00 -2.01 0.00 0.00 31.29 30.27 1s4d h VAL 232 CO 0.00 0.22 -0.13 0.00 -1.01 0.00 0.00 177.57 176.65 1s4d h ALA 233 N 1.15 1.10 -0.39 3.17 0.00 -1.37 -2.23 119.26 120.69 1s4d h ALA 233 Ca 0.21 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1s4d h ALA 233 Cb 0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1s4d h ALA 233 CO -0.03 0.56 0.05 0.00 0.00 0.00 0.00 179.25 179.82 1s4d h ALA 234 N 1.28 1.36 0.00 0.00 0.00 -0.90 -1.92 119.26 119.08 1s4d h ALA 234 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1s4d h ALA 234 Cb 0.56 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1s4d h ALA 234 CO 0.04 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.73 1s4d n ALA 235 N -2.47 2.38 -1.57 0.00 0.00 -0.22 -4.91 120.51 113.71 1s4d n ALA 235 Ca 0.02 -0.12 -0.16 0.00 0.00 0.00 0.00 53.44 53.19 1s4d n ALA 235 Cb 0.23 -1.47 -0.06 0.00 0.00 0.00 0.00 19.45 18.15 1s4d n ALA 235 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4d n GLY 236 N 1.37 1.33 3.79 0.00 0.00 -0.72 -5.00 105.19 105.96 1s4d n GLY 236 Ca 0.10 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1s4d n GLY 236 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s4d s LEU 237 N -3.71 3.48 0.05 0.99 1.02 -1.08 -5.04 118.68 114.38 1s4d s LEU 237 Ca 0.00 1.91 -0.07 0.00 0.02 0.00 0.00 54.13 55.98 1s4d s LEU 237 Cb 0.00 -4.54 -0.00 0.00 0.02 0.00 0.00 46.19 41.66 1s4d s LEU 237 CO 0.00 -1.34 0.15 -1.61 0.02 0.00 0.00 176.35 173.57 1s4d s GLU 238 N -4.02 0.69 0.87 1.70 2.02 -1.26 -4.86 118.70 113.83 1s4d s GLU 238 Ca 0.65 -0.78 -0.12 0.00 0.02 0.00 0.00 54.97 54.74 1s4d s GLU 238 Cb -0.18 0.28 0.08 0.00 0.10 0.00 0.00 34.13 34.41 1s4d s GLU 238 CO 0.38 -0.19 0.96 -2.30 0.02 0.00 0.00 175.26 174.12 1s4d n PRO 239 N 0.50 -0.13 -2.53 0.39 -0.02 -1.26 -4.41 135.00 127.53 1s4d n PRO 239 Ca -0.18 0.03 -0.41 0.00 -2.02 0.00 0.00 63.50 60.93 1s4d n PRO 239 Cb 0.60 -2.24 -0.04 0.00 -0.02 0.00 0.00 33.50 31.79 1s4d n PRO 239 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1s4d s PRO 240 N -4.07 4.62 0.06 0.52 0.04 -1.26 -4.95 135.00 129.96 1s4d s PRO 240 Ca 0.67 1.70 0.02 0.00 0.04 0.00 0.00 61.00 63.43 1s4d s PRO 240 Cb -0.26 -3.27 -0.03 0.00 0.04 0.00 0.00 34.50 30.98 1s4d s PRO 240 CO 0.57 0.13 -0.07 0.00 0.04 0.00 0.00 177.00 177.67 1s4d s ALA 241 N -0.42 0.65 -0.14 8.56 0.00 -1.26 -1.80 121.76 127.35 1s4d s ALA 241 Ca 0.48 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 51.49 1s4d s ALA 241 Cb -0.29 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 1s4d s ALA 241 CO 0.35 -0.09 -0.04 0.42 0.00 0.00 0.00 175.76 176.40 1s4d s ILE 242 N -2.05 3.87 -0.22 0.00 -1.09 -0.14 -4.23 121.20 117.33 1s4d s ILE 242 Ca -0.04 -0.38 -0.08 0.00 -2.23 0.00 0.00 60.65 57.93 1s4d s ILE 242 Cb -0.05 -2.67 -0.04 0.00 -1.58 0.00 0.00 42.46 38.12 1s4d s ILE 242 CO -0.01 0.52 0.07 -0.69 -1.23 0.00 0.00 174.94 173.60 1s4d s VAL 243 N 0.10 4.57 -0.04 2.92 1.01 -0.80 -0.75 120.40 127.41 1s4d s VAL 243 Ca -0.01 -0.10 0.06 0.00 0.00 0.00 0.00 61.98 61.93 1s4d s VAL 243 Cb -0.14 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 1s4d s VAL 243 CO 0.03 0.38 -0.22 0.54 0.00 0.00 0.00 175.10 175.83 1s4d s VAL 244 N 1.11 2.34 -0.05 2.92 0.11 -0.50 0.36 120.40 126.69 1s4d s VAL 244 Ca 0.04 -0.98 0.05 0.00 -2.93 0.00 0.00 61.98 58.16 1s4d s VAL 244 Cb -0.14 -1.86 -0.02 0.00 -1.53 0.00 0.00 36.38 32.83 1s4d s VAL 244 CO 0.03 0.58 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.49 1s4d s VAL 245 N -0.45 2.51 0.00 2.04 1.01 0.44 -1.37 120.40 124.58 1s4d s VAL 245 Ca 0.05 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1s4d s VAL 245 Cb -0.12 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.32 1s4d s VAL 245 CO 0.01 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1s4d n GLY 246 N 2.68 1.23 0.29 4.51 0.00 -0.92 -1.43 105.19 111.55 1s4d n GLY 246 Ca -0.17 -2.25 0.19 0.00 0.00 0.00 0.00 46.02 43.79 1s4d n GLY 246 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s4d h GLU 247 N 0.00 0.00 0.00 1.61 4.39 -1.85 -1.94 114.58 116.78 1s4d h GLU 247 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1s4d h GLU 247 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1s4d h GLU 247 CO 0.00 0.00 -0.02 -0.39 -1.16 0.00 0.00 179.01 177.44 1s4d h VAL 248 N 0.00 0.17 -0.22 3.13 -1.51 -1.89 -0.82 116.25 115.11 1s4d h VAL 248 Ca 0.00 -0.19 -0.01 0.00 -1.23 0.00 0.00 66.70 65.26 1s4d h VAL 248 Cb 0.36 1.16 -0.01 0.00 -2.13 0.00 0.00 31.29 30.67 1s4d h VAL 248 CO 0.00 0.02 0.07 0.58 -1.23 0.00 0.00 177.57 177.01 1s4d h VAL 249 N 0.00 1.10 0.00 7.19 2.07 -1.70 -0.33 116.25 124.58 1s4d h VAL 249 Ca -0.00 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1s4d h VAL 249 Cb 0.16 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1s4d h VAL 249 CO 0.00 0.12 0.00 0.03 0.02 0.00 0.00 177.57 177.74 1s4d h ARG 250 N 0.30 0.00 0.00 1.57 3.08 -1.36 -2.33 114.38 115.65 1s4d h ARG 250 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1s4d h ARG 250 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1s4d h ARG 250 CO -0.01 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.17 1s4d n LEU 251 N -2.87 0.47 -0.26 3.04 4.77 -0.13 -3.78 117.00 118.24 1s4d n LEU 251 Ca -0.01 0.58 -0.06 0.00 -0.03 0.00 0.00 56.01 56.49 1s4d n LEU 251 Cb 0.15 -0.48 0.05 0.00 -2.33 0.00 0.00 43.42 40.81 1s4d n LEU 251 CO 0.20 -0.30 1.11 -0.09 -1.33 0.00 0.00 177.39 176.98 1s4d h ARG 252 N 0.00 1.00 0.00 3.23 2.43 -1.39 0.53 114.38 120.18 1s4d h ARG 252 Ca 0.00 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1s4d h ARG 252 Cb 0.47 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1s4d h ARG 252 CO 0.00 0.74 -0.00 0.00 -1.51 0.00 0.00 179.97 179.20 1s4d h ALA 253 N 1.20 1.07 0.00 2.80 0.00 -1.80 -1.22 119.26 121.31 1s4d h ALA 253 Ca 0.25 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.79 1s4d h ALA 253 Cb 0.03 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 1s4d h ALA 253 CO -0.04 0.00 -2.37 0.00 0.00 0.00 0.00 179.25 176.84 1s4d n ALA 254 N -2.11 1.49 0.12 0.00 0.00 -0.43 -4.68 120.51 114.90 1s4d n ALA 254 Ca -0.03 -1.29 0.07 0.00 0.00 0.00 0.00 53.44 52.20 1s4d n ALA 254 Cb 0.09 -0.20 0.14 0.00 0.00 0.00 0.00 19.45 19.47 1s4d n ALA 254 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1s4d n LEU 255 N -2.82 2.77 -4.00 0.00 4.77 0.05 -4.83 117.00 112.93 1s4d n LEU 255 Ca -0.34 -1.58 -0.36 0.00 -0.03 0.00 0.00 56.01 53.71 1s4d n LEU 255 Cb 1.14 -0.17 -0.08 0.00 -2.33 0.00 0.00 43.42 41.98 1s4d n LEU 255 CO 0.41 0.63 1.70 -0.67 -1.33 0.00 0.00 177.39 178.13 1s4d n ASP 256 N 0.80 2.30 0.12 -1.43 2.03 -0.52 -4.19 116.55 115.67 1s4d n ASP 256 Ca 0.12 -2.63 -0.02 0.00 0.52 0.00 0.00 54.79 52.78 1s4d n ASP 256 Cb 0.43 -1.27 0.18 0.00 -0.72 0.00 0.00 41.12 39.73 1s4d n ASP 256 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 1s4d h TRP 257 N 9.23 0.12 -0.41 -0.67 5.08 -1.90 -2.19 115.95 125.22 1s4d h TRP 257 Ca 0.29 -0.04 0.12 0.00 1.08 0.00 0.00 58.89 60.33 1s4d h TRP 257 Cb 0.79 -0.02 -0.02 0.00 -3.00 0.00 0.00 29.16 26.92 1s4d h TRP 257 CO 1.16 0.64 0.30 0.82 -1.28 0.00 0.00 178.44 180.08 1s4d h ILE 258 N 0.07 0.78 0.00 0.12 5.03 -1.84 0.30 117.51 121.97 1s4d h ILE 258 Ca -0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.73 1s4d h ILE 258 Cb 1.03 0.79 -0.00 0.00 -3.03 0.00 0.00 36.82 35.61 1s4d h ILE 258 CO 0.08 0.00 0.27 0.61 -0.68 0.00 0.00 178.15 178.43 1s4d n GLY 259 N -1.61 0.87 0.00 5.37 0.00 -0.82 -4.10 105.19 104.89 1s4d n GLY 259 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1s4d n GLY 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s4d n ALA 260 N 2.56 0.00 0.00 4.61 0.00 0.10 -4.33 120.51 123.45 1s4d n ALA 260 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1s4d n ALA 260 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1s4d n ALA 260 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1s4d n LEU 261 N -0.30 0.00 0.00 0.00 -0.00 -1.26 -4.50 117.00 110.94 1s4d n LEU 261 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1s4d n LEU 261 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1s4d n LEU 261 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 177.39 177.86 1s4d n ASP 262 N -2.57 0.00 -0.27 1.45 10.43 -1.26 -5.27 116.55 119.06 1s4d n ASP 262 Ca 0.00 0.00 0.15 0.00 2.57 0.00 0.00 54.79 57.51 1s4d n ASP 262 Cb 0.00 0.00 0.71 0.00 1.84 0.00 0.00 41.12 43.67 1s4d n ASP 262 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74