#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1spd n THR 2 N 0.00 -0.80 -0.29 0.00 -1.04 -1.26 -5.00 114.28 105.88 1spd n THR 2 Ca 0.00 0.61 -0.10 0.00 -2.04 0.00 0.00 64.05 62.52 1spd n THR 2 Cb 0.00 -0.95 -0.03 0.00 -1.82 0.00 0.00 70.33 67.53 1spd n THR 2 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1spd n LYS 3 N -3.05 0.00 -1.34 -2.82 4.81 -1.26 -4.88 118.16 109.62 1spd n LYS 3 Ca -0.04 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.10 1spd n LYS 3 Cb 0.36 -0.32 0.22 0.00 0.02 0.00 0.00 35.03 35.31 1spd n LYS 3 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1spd s ALA 4 N 1.63 1.13 0.34 3.14 0.00 0.35 -2.84 121.76 125.50 1spd s ALA 4 Ca 0.27 -0.97 -0.03 0.00 0.00 0.00 0.00 51.96 51.24 1spd s ALA 4 Cb -0.29 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1spd s ALA 4 CO 0.12 -3.17 0.47 0.54 0.00 0.00 0.00 175.76 173.72 1spd s VAL 5 N -3.26 0.00 0.00 0.00 0.11 -1.03 -2.69 120.40 113.53 1spd s VAL 5 Ca 0.71 -1.60 0.00 0.00 -2.93 0.00 0.00 61.98 58.16 1spd s VAL 5 Cb -0.09 -2.62 0.00 0.00 -1.53 0.00 0.00 36.38 32.14 1spd s VAL 5 CO 0.55 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 172.32 1spd s VAL 7 N -0.64 0.57 0.16 0.00 0.11 -1.26 -0.60 120.40 118.74 1spd s VAL 7 Ca 0.00 -0.13 -0.21 0.00 -2.93 0.00 0.00 61.98 58.71 1spd s VAL 7 Cb 0.00 -0.77 -0.08 0.00 -1.53 0.00 0.00 36.38 34.00 1spd s VAL 7 CO 0.00 0.18 0.69 -0.76 -3.33 0.00 0.00 175.10 171.89 1spd s LEU 8 N 1.88 4.48 -0.05 2.54 2.01 0.76 -4.37 118.68 125.93 1spd s LEU 8 Ca 0.04 1.44 -0.31 0.00 0.01 0.00 0.00 54.13 55.30 1spd s LEU 8 Cb -0.13 -3.29 0.11 0.00 0.01 0.00 0.00 46.19 42.89 1spd s LEU 8 CO -0.06 0.16 1.07 -0.54 1.01 0.00 0.00 176.35 177.99 1spd s LYS 9 N -1.46 0.62 0.00 1.70 1.02 -0.49 -0.82 119.74 120.31 1spd s LYS 9 Ca 0.36 -0.27 0.00 0.00 0.02 0.00 0.00 55.97 56.09 1spd s LYS 9 Cb -0.20 0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.37 1spd s LYS 9 CO 0.22 -0.28 0.00 0.41 -0.92 0.00 0.00 175.35 174.79 1spd n GLY 10 N -0.26 -0.85 0.29 -3.33 0.00 -1.26 -1.47 105.19 98.32 1spd n GLY 10 Ca -0.05 -0.78 0.20 0.00 0.00 0.00 0.00 46.02 45.39 1spd n GLY 10 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1spd h ASP 11 N 0.00 0.00 -3.88 1.61 3.04 -1.95 -3.43 116.42 111.81 1spd h ASP 11 Ca 0.00 0.00 -0.55 0.00 -3.24 0.00 0.00 57.03 53.24 1spd h ASP 11 Cb 0.00 0.00 0.13 0.00 -1.04 0.00 0.00 39.33 38.42 1spd h ASP 11 CO 0.00 0.00 0.64 0.61 -2.04 0.00 0.00 179.24 178.45 1spd n GLY 12 N -0.79 0.88 1.33 7.15 0.00 -1.23 -4.83 105.19 107.70 1spd n GLY 12 Ca -0.02 0.17 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 1spd n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1spd n PRO 13 N -0.23 1.59 -4.45 1.61 -0.04 -1.26 -4.85 135.00 127.37 1spd n PRO 13 Ca 0.06 -1.02 -0.24 0.00 -0.04 0.00 0.00 63.50 62.26 1spd n PRO 13 Cb 0.41 -1.46 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 1spd n PRO 13 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1spd s VAL 14 N -1.20 2.36 0.07 0.52 -7.23 -1.26 -4.69 120.40 108.96 1spd s VAL 14 Ca 0.19 -2.32 -0.05 0.00 -1.81 0.00 0.00 61.98 57.99 1spd s VAL 14 Cb 0.16 -2.23 0.02 0.00 0.56 0.00 0.00 36.38 34.88 1spd s VAL 14 CO 0.04 -0.38 0.23 0.00 -0.31 0.00 0.00 175.10 174.67 1spd n GLN 15 N -0.45 0.21 0.00 4.82 10.64 -0.88 -4.47 117.38 127.25 1spd n GLN 15 Ca -0.07 -0.45 0.00 0.00 -1.83 0.00 0.00 57.00 54.66 1spd n GLN 15 Cb 0.59 0.58 0.00 0.00 -0.86 0.00 0.00 30.24 30.55 1spd n GLN 15 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1spd n GLY 16 N -0.16 2.49 3.66 2.61 0.00 0.00 -1.04 105.19 112.76 1spd n GLY 16 Ca -0.01 0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1spd n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1spd s ILE 17 N -0.01 5.07 -0.05 -0.61 1.01 -0.96 -0.17 121.20 125.47 1spd s ILE 17 Ca 0.00 1.07 0.05 0.00 0.00 0.00 0.00 60.65 61.77 1spd s ILE 17 Cb 0.00 -3.89 -0.01 0.00 0.01 0.00 0.00 42.46 38.57 1spd s ILE 17 CO 0.00 0.15 -0.21 -0.51 0.00 0.00 0.00 174.94 174.37 1spd s ILE 18 N 1.74 1.73 0.22 2.92 2.07 0.23 -1.51 121.20 128.60 1spd s ILE 18 Ca 0.26 -0.88 0.07 0.00 -1.41 0.00 0.00 60.65 58.70 1spd s ILE 18 Cb -0.16 -1.48 -0.04 0.00 0.13 0.00 0.00 42.46 40.92 1spd s ILE 18 CO 0.10 0.49 0.12 0.20 -1.91 0.00 0.00 174.94 173.94 1spd s ASN 19 N 0.01 5.25 -0.05 4.50 -0.87 -0.16 -2.09 114.94 121.53 1spd s ASN 19 Ca -0.05 -0.31 -0.02 0.00 -1.57 0.00 0.00 52.86 50.91 1spd s ASN 19 Cb -0.13 -1.27 0.03 0.00 -0.02 0.00 0.00 41.25 39.87 1spd s ASN 19 CO 0.03 0.01 0.06 -0.36 -2.57 0.00 0.00 177.10 174.27 1spd s PHE 20 N -2.02 0.11 -0.22 2.20 0.40 -1.09 -1.96 117.98 115.40 1spd s PHE 20 Ca 0.31 0.20 0.02 0.00 -0.60 0.00 0.00 56.93 56.86 1spd s PHE 20 Cb -0.08 -0.51 0.04 0.00 0.51 0.00 0.00 43.02 42.98 1spd s PHE 20 CO 0.23 -0.22 -0.14 -1.21 0.70 0.00 0.00 175.22 174.58 1spd s GLU 21 N 2.15 2.41 -0.14 0.44 2.02 0.02 -0.50 118.70 125.10 1spd s GLU 21 Ca 0.05 -1.06 -0.03 0.00 0.02 0.00 0.00 54.97 53.94 1spd s GLU 21 Cb -0.12 -2.67 0.05 0.00 0.10 0.00 0.00 34.13 31.49 1spd s GLU 21 CO -0.04 -0.42 0.06 -1.14 0.02 0.00 0.00 175.26 173.74 1spd s GLN 22 N 1.24 0.26 0.00 1.61 -0.44 -1.26 -1.59 119.66 119.47 1spd s GLN 22 Ca -0.03 -0.07 0.00 0.00 -2.50 0.00 0.00 55.36 52.76 1spd s GLN 22 Cb -0.17 -1.58 0.00 0.00 -1.64 0.00 0.00 33.01 29.62 1spd s GLN 22 CO -0.08 -0.56 0.00 1.63 0.50 0.00 0.00 175.29 176.78 1spd n LYS 23 N 5.21 3.72 0.00 1.67 5.02 -1.26 -4.81 118.16 127.70 1spd n LYS 23 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1spd n LYS 23 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 1spd n LYS 23 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1spd n GLU 24 N 0.00 0.00 0.00 1.97 4.07 -1.26 -4.65 120.64 120.77 1spd n GLU 24 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1spd n GLU 24 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1spd n GLU 24 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1spd n SER 25 N 0.00 0.00 -4.31 4.31 2.88 -1.26 -4.38 113.62 110.87 1spd n SER 25 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1spd n SER 25 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 1spd n SER 25 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1spd s ASN 26 N 0.00 1.41 0.00 -3.46 2.20 -1.26 -4.83 114.94 109.00 1spd s ASN 26 Ca 0.00 -1.29 0.00 0.00 -0.94 0.00 0.00 52.86 50.63 1spd s ASN 26 Cb 0.00 0.10 0.00 0.00 -2.00 0.00 0.00 41.25 39.35 1spd s ASN 26 CO 0.00 -0.63 0.00 0.61 -2.94 0.00 0.00 177.10 174.14 1spd n GLY 27 N -0.41 0.14 3.55 0.45 0.00 -1.26 -5.03 105.19 102.62 1spd n GLY 27 Ca -0.03 -2.26 -0.28 0.00 0.00 0.00 0.00 46.02 43.44 1spd n GLY 27 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1spd n PRO 28 N 0.00 0.80 -2.21 1.61 -0.04 -1.26 -4.77 135.00 129.14 1spd n PRO 28 Ca 0.00 -0.28 -0.42 0.00 -0.04 0.00 0.00 63.50 62.76 1spd n PRO 28 Cb 0.00 -3.37 -0.03 0.00 -0.04 0.00 0.00 33.50 30.06 1spd n PRO 28 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1spd s VAL 29 N 12.63 3.45 -0.31 0.52 1.01 0.66 -4.67 120.40 133.68 1spd s VAL 29 Ca 0.99 1.02 -0.11 0.00 0.00 0.00 0.00 61.98 63.88 1spd s VAL 29 Cb -0.23 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1spd s VAL 29 CO 0.22 0.07 0.20 -0.54 0.00 0.00 0.00 175.10 175.05 1spd s LYS 30 N 1.26 3.65 -0.11 2.72 1.02 -0.62 -1.77 119.74 125.89 1spd s LYS 30 Ca 0.64 -0.53 0.02 0.00 0.02 0.00 0.00 55.97 56.12 1spd s LYS 30 Cb -0.35 -3.70 0.01 0.00 -0.52 0.00 0.00 37.83 33.28 1spd s LYS 30 CO 0.30 -0.33 -0.15 0.54 -0.92 0.00 0.00 175.35 174.79 1spd s VAL 31 N 1.72 1.49 0.05 3.17 0.11 -0.43 -0.80 120.40 125.70 1spd s VAL 31 Ca 0.06 -0.64 -0.07 0.00 -2.93 0.00 0.00 61.98 58.40 1spd s VAL 31 Cb -0.17 -1.36 -0.01 0.00 -1.53 0.00 0.00 36.38 33.32 1spd s VAL 31 CO 0.10 0.44 0.14 -1.66 -3.33 0.00 0.00 175.10 170.79 1spd s TRP 32 N 0.95 0.15 -4.24 1.54 -2.14 -0.83 -0.26 118.94 114.12 1spd s TRP 32 Ca -0.07 -0.45 0.00 0.00 2.66 0.00 0.00 56.10 58.23 1spd s TRP 32 Cb -0.15 -0.10 0.00 0.00 -3.10 0.00 0.00 33.47 30.12 1spd s TRP 32 CO -0.01 -0.42 0.00 0.41 -2.66 0.00 0.00 176.95 174.27 1spd n GLY 33 N 0.58 -1.51 3.23 3.67 0.00 -0.30 -0.99 105.19 109.87 1spd n GLY 33 Ca -0.18 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.53 1spd n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1spd s SER 34 N -3.57 0.57 -0.23 1.61 0.01 -0.57 -0.60 113.70 110.92 1spd s SER 34 Ca 0.00 -1.34 -0.12 0.00 1.31 0.00 0.00 55.95 55.80 1spd s SER 34 Cb 0.00 0.28 0.07 0.00 0.21 0.00 0.00 66.02 66.58 1spd s SER 34 CO 0.00 -0.76 0.55 -0.51 0.41 0.00 0.00 173.24 172.93 1spd s ILE 35 N -3.98 -0.10 0.02 1.44 2.07 -1.01 -2.27 121.20 117.37 1spd s ILE 35 Ca 0.35 0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.64 1spd s ILE 35 Cb 0.07 -0.82 0.00 0.00 0.13 0.00 0.00 42.46 41.85 1spd s ILE 35 CO 0.10 0.02 0.03 0.29 -1.91 0.00 0.00 174.94 173.47 1spd n LYS 36 N 4.42 1.05 0.00 3.50 4.76 -0.20 -0.86 118.16 130.82 1spd n LYS 36 Ca -0.20 -0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.12 1spd n LYS 36 Cb 0.56 -0.01 0.00 0.00 -1.84 0.00 0.00 35.03 33.75 1spd n LYS 36 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1spd n GLY 37 N 4.74 0.66 3.73 0.72 0.00 -1.25 -2.07 105.19 111.71 1spd n GLY 37 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1spd n GLY 37 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1spd s LEU 38 N 0.00 3.16 0.09 0.99 2.34 -1.26 -4.70 118.68 119.30 1spd s LEU 38 Ca 0.00 2.16 -0.33 0.00 0.06 0.00 0.00 54.13 56.03 1spd s LEU 38 Cb 0.00 -4.57 -0.12 0.00 -0.56 0.00 0.00 46.19 40.94 1spd s LEU 38 CO 0.00 -2.34 1.76 0.41 -1.06 0.00 0.00 176.35 175.12 1spd n THR 39 N -3.20 0.27 -0.27 5.48 -1.04 -1.26 -3.10 114.28 111.17 1spd n THR 39 Ca 0.12 -0.05 -0.30 0.00 -2.04 0.00 0.00 64.05 61.78 1spd n THR 39 Cb 0.51 -1.87 0.29 0.00 -1.82 0.00 0.00 70.33 67.44 1spd n THR 39 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1spd n GLU 40 N 5.04 -4.52 0.00 -2.82 2.13 -1.26 -4.74 120.64 114.47 1spd n GLU 40 Ca 0.19 -1.34 0.00 0.00 0.66 0.00 0.00 57.16 56.67 1spd n GLU 40 Cb 0.33 -1.96 0.00 0.00 0.27 0.00 0.00 31.44 30.08 1spd n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1spd n GLY 41 N 1.77 -3.93 3.85 8.31 0.00 -0.15 -4.83 105.19 110.21 1spd n GLY 41 Ca 0.12 -1.99 -0.31 0.00 0.00 0.00 0.00 46.02 43.83 1spd n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1spd s LEU 42 N 0.00 3.72 -0.00 0.99 1.02 -1.26 -0.96 118.68 122.19 1spd s LEU 42 Ca 0.00 1.41 0.01 0.00 0.02 0.00 0.00 54.13 55.56 1spd s LEU 42 Cb 0.00 -4.32 0.00 0.00 0.02 0.00 0.00 46.19 41.90 1spd s LEU 42 CO 0.00 -0.50 -0.02 -1.00 0.02 0.00 0.00 176.35 174.85 1spd s HIS 43 N -2.50 0.22 0.73 0.29 3.76 -0.25 -3.86 115.29 113.68 1spd s HIS 43 Ca 0.56 -0.03 -0.13 0.00 -0.15 0.00 0.00 55.06 55.31 1spd s HIS 43 Cb -0.10 -0.16 0.04 0.00 1.11 0.00 0.00 32.58 33.47 1spd s HIS 43 CO 0.30 -0.02 1.12 0.20 -0.85 0.00 0.00 174.74 175.49 1spd s GLY 44 N 0.05 1.95 -0.42 -2.22 0.00 -1.22 0.06 107.32 105.52 1spd s GLY 44 Ca -0.00 0.48 0.07 0.00 0.00 0.00 0.00 44.72 45.28 1spd s GLY 44 CO -0.00 0.85 0.62 -0.12 0.00 0.00 0.00 173.10 174.45 1spd s PHE 45 N -2.54 -1.59 0.53 1.90 5.36 0.84 -1.27 117.98 121.21 1spd s PHE 45 Ca 0.66 0.04 0.07 0.00 -0.96 0.00 0.00 56.93 56.73 1spd s PHE 45 Cb -0.20 0.25 0.04 0.00 -0.34 0.00 0.00 43.02 42.77 1spd s PHE 45 CO 0.49 -1.18 0.51 -1.01 -1.46 0.00 0.00 175.22 172.58 1spd s HIS 46 N 1.66 1.74 0.02 10.12 3.76 -0.15 -1.31 115.29 131.13 1spd s HIS 46 Ca 0.18 -0.75 0.07 0.00 -0.15 0.00 0.00 55.06 54.41 1spd s HIS 46 Cb -0.04 -2.04 -0.02 0.00 1.11 0.00 0.00 32.58 31.58 1spd s HIS 46 CO -0.06 -0.62 -0.21 0.08 -0.85 0.00 0.00 174.74 173.08 1spd s VAL 47 N -2.69 1.67 -0.08 -0.90 1.01 -1.24 -1.41 120.40 116.76 1spd s VAL 47 Ca 0.44 -1.06 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 1spd s VAL 47 Cb -0.03 -1.42 0.02 0.00 0.00 0.00 0.00 36.38 34.95 1spd s VAL 47 CO 0.27 0.33 -0.04 -1.00 0.00 0.00 0.00 175.10 174.66 1spd s HIS 48 N -0.66 1.04 0.34 5.22 3.76 0.68 -3.67 115.29 122.00 1spd s HIS 48 Ca 0.08 -0.41 0.14 0.00 -0.15 0.00 0.00 55.06 54.71 1spd s HIS 48 Cb -0.08 -0.96 1.06 0.00 1.11 0.00 0.00 32.58 33.71 1spd s HIS 48 CO 0.01 -0.37 1.67 1.49 -0.85 0.00 0.00 174.74 176.69 1spd h GLU 49 N 7.97 0.35 -5.00 1.40 4.81 -1.10 0.99 114.58 124.00 1spd h GLU 49 Ca -0.27 -0.02 -0.63 0.00 -0.13 0.00 0.00 59.36 58.30 1spd h GLU 49 Cb 1.14 -0.08 -0.16 0.00 0.63 0.00 0.00 28.75 30.28 1spd h GLU 49 CO 0.37 0.23 -0.41 -0.06 -0.73 0.00 0.00 179.01 178.41 1spd s PHE 50 N -5.68 3.23 -0.57 0.92 0.08 0.13 -4.63 117.98 111.47 1spd s PHE 50 Ca -0.10 0.23 -0.04 0.00 0.12 0.00 0.00 56.93 57.14 1spd s PHE 50 Cb 0.30 -2.45 0.05 0.00 -0.57 0.00 0.00 43.02 40.35 1spd s PHE 50 CO 0.79 -0.18 2.76 0.41 -0.10 0.00 0.00 175.22 178.90 1spd n GLY 51 N 4.91 4.41 3.36 4.36 0.00 -1.15 -3.73 105.19 117.36 1spd n GLY 51 Ca -0.12 -1.88 -0.46 0.00 0.00 0.00 0.00 46.02 43.56 1spd n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1spd s ASP 52 N 0.45 6.65 -0.05 1.61 1.01 -1.26 -4.83 116.67 120.24 1spd s ASP 52 Ca 0.59 -2.38 0.02 0.00 0.71 0.00 0.00 52.55 51.48 1spd s ASP 52 Cb 0.35 -2.27 0.12 0.00 1.01 0.00 0.00 42.92 42.14 1spd s ASP 52 CO -0.19 -0.76 0.89 0.59 0.21 0.00 0.00 175.17 175.91 1spd n ASN 53 N 4.88 2.33 -0.22 0.27 5.03 -1.26 -4.03 115.26 122.26 1spd n ASN 53 Ca 0.13 -2.19 0.10 0.00 0.87 0.00 0.00 54.58 53.49 1spd n ASN 53 Cb 0.47 -0.54 0.20 0.00 -1.02 0.00 0.00 39.78 38.89 1spd n ASN 53 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1spd n THR 54 N 0.16 -0.27 -2.91 3.41 -2.24 -1.26 -3.46 114.28 107.71 1spd n THR 54 Ca 0.07 1.41 -0.09 0.00 -2.27 0.00 0.00 64.05 63.17 1spd n THR 54 Cb 0.52 -2.08 -0.02 0.00 -2.10 0.00 0.00 70.33 66.66 1spd n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1spd s ALA 55 N -5.49 -1.30 0.00 6.98 0.00 -1.26 -5.11 121.76 115.58 1spd s ALA 55 Ca -0.08 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 50.99 1spd s ALA 55 Cb 0.19 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.85 1spd s ALA 55 CO 0.50 -2.18 0.00 0.41 0.00 0.00 0.00 175.76 174.50 1spd n GLY 56 N 2.92 1.27 1.19 0.00 0.00 -1.22 -3.58 105.19 105.78 1spd n GLY 56 Ca 0.21 -0.73 0.10 0.00 0.00 0.00 0.00 46.02 45.60 1spd n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1spd h THR 58 N 3.76 1.03 0.00 0.00 2.02 -1.91 -3.39 112.91 114.41 1spd h THR 58 Ca 0.00 -2.02 0.00 0.00 0.77 0.00 0.00 66.41 65.16 1spd h THR 58 Cb 0.94 2.19 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 1spd h THR 58 CO 0.00 0.35 0.00 0.28 0.37 0.00 0.00 175.52 176.52 1spd h SER 59 N -1.00 0.00 -0.16 4.18 0.02 -1.78 -3.30 113.55 111.52 1spd h SER 59 Ca -0.18 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.81 1spd h SER 59 Cb 1.04 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 1spd h SER 59 CO -0.11 0.00 0.25 0.00 -1.14 0.00 0.00 176.83 175.83 1spd h ALA 60 N 2.01 1.65 0.00 3.77 0.00 -1.70 -3.39 119.26 121.60 1spd h ALA 60 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1spd h ALA 60 Cb 0.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1spd h ALA 60 CO 0.00 -0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.33 1spd n GLY 61 N -1.34 -2.59 0.00 0.00 0.00 -1.24 0.22 105.19 100.23 1spd n GLY 61 Ca 0.01 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1spd n GLY 61 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1spd n PRO 62 N -0.39 0.39 -2.83 1.61 -0.02 -1.26 -4.68 135.00 127.82 1spd n PRO 62 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.07 1spd n PRO 62 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.43 1spd n PRO 62 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1spd s HIS 63 N -0.35 3.79 -0.74 6.00 3.76 -1.26 -3.48 115.29 123.01 1spd s HIS 63 Ca 0.00 1.68 -0.37 0.00 -0.15 0.00 0.00 55.06 56.22 1spd s HIS 63 Cb 0.00 -2.96 -0.20 0.00 1.11 0.00 0.00 32.58 30.53 1spd s HIS 63 CO 0.00 0.24 2.42 0.34 -0.85 0.00 0.00 174.74 176.89 1spd n PHE 64 N 2.75 0.88 -1.23 1.40 7.35 -1.24 -4.81 117.46 122.56 1spd n PHE 64 Ca 0.00 0.56 0.01 0.00 -0.76 0.00 0.00 57.45 57.26 1spd n PHE 64 Cb 0.49 -2.34 0.22 0.00 0.35 0.00 0.00 39.48 38.21 1spd n PHE 64 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1spd n ASN 65 N 9.14 3.16 0.00 -2.13 4.13 -1.26 -1.35 115.26 126.94 1spd n ASN 65 Ca 0.60 -3.41 0.00 0.00 1.68 0.00 0.00 54.58 53.45 1spd n ASN 65 Cb 0.01 -0.60 0.00 0.00 -1.54 0.00 0.00 39.78 37.65 1spd n ASN 65 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1spd n PRO 66 N -0.86 0.00 -3.52 3.52 -0.02 -1.26 -2.96 135.00 129.90 1spd n PRO 66 Ca 0.29 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.60 1spd n PRO 66 Cb 0.99 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 34.34 1spd n PRO 66 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1spd s LEU 67 N 0.00 -0.17 -0.68 2.45 0.20 -1.26 -5.07 118.68 114.15 1spd s LEU 67 Ca 0.00 -0.02 -0.26 0.00 0.69 0.00 0.00 54.13 54.54 1spd s LEU 67 Cb 0.00 0.47 -0.13 0.00 -0.43 0.00 0.00 46.19 46.10 1spd s LEU 67 CO 0.00 -0.30 2.46 -1.20 -0.29 0.00 0.00 176.35 177.02 1spd n SER 68 N 5.33 1.58 -4.96 3.68 7.64 -1.15 -4.96 113.62 120.78 1spd n SER 68 Ca -0.05 -0.54 -0.23 0.00 1.01 0.00 0.00 58.87 59.06 1spd n SER 68 Cb 0.50 -1.40 0.02 0.00 -1.01 0.00 0.00 64.21 62.31 1spd n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1spd s ARG 69 N 8.47 2.97 0.69 1.43 3.00 -1.26 -5.10 118.95 129.16 1spd s ARG 69 Ca 1.07 -0.54 -0.02 0.00 0.00 0.00 0.00 55.73 56.23 1spd s ARG 69 Cb -0.43 -2.55 0.14 0.00 0.00 0.00 0.00 34.95 32.11 1spd s ARG 69 CO 0.30 -0.35 0.95 1.63 0.00 0.00 0.00 175.30 177.83 1spd n LYS 70 N -2.12 -0.21 -0.71 3.54 4.01 -1.26 -4.80 118.16 116.62 1spd n LYS 70 Ca 0.03 -2.37 -0.30 0.00 -0.51 0.00 0.00 58.31 55.16 1spd n LYS 70 Cb 0.58 -0.69 0.26 0.00 -0.51 0.00 0.00 35.03 34.67 1spd n LYS 70 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 1spd s HIS 71 N -2.89 0.25 0.02 2.13 5.65 -0.76 -3.24 115.29 116.44 1spd s HIS 71 Ca 0.61 0.66 -0.27 0.00 0.25 0.00 0.00 55.06 56.31 1spd s HIS 71 Cb -0.03 -3.15 0.09 0.00 -1.18 0.00 0.00 32.58 28.31 1spd s HIS 71 CO 0.41 -4.30 1.25 0.20 -0.65 0.00 0.00 174.74 171.64 1spd s GLY 72 N -3.34 -0.09 0.00 1.59 0.00 -1.22 -3.52 107.32 100.75 1spd s GLY 72 Ca 0.69 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 45.39 1spd s GLY 72 CO 0.58 5.09 0.00 0.61 0.00 0.00 0.00 173.10 179.38 1spd n GLY 73 N -0.87 1.71 0.11 0.20 0.00 -1.20 -4.69 105.19 100.45 1spd n GLY 73 Ca 0.03 -1.91 -0.20 0.00 0.00 0.00 0.00 46.02 43.94 1spd n GLY 73 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1spd h PRO 74 N 0.00 0.09 -0.20 1.61 0.11 -1.82 -3.37 132.00 128.42 1spd h PRO 74 Ca 0.00 -0.15 0.06 0.00 0.11 0.00 0.00 66.00 66.02 1spd h PRO 74 Cb 0.00 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 1spd h PRO 74 CO 0.00 1.07 0.73 -0.22 -0.21 0.00 0.00 178.00 179.37 1spd h LYS 75 N -0.73 0.00 0.00 1.05 1.63 -1.96 -3.44 116.57 113.12 1spd h LYS 75 Ca -0.27 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.53 1spd h LYS 75 Cb 1.42 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.05 1spd h LYS 75 CO -0.07 0.00 0.00 -3.47 -3.45 0.00 0.00 179.45 172.46 1spd n ASP 76 N -2.90 0.00 0.00 4.20 2.03 -1.26 -4.99 116.55 113.63 1spd n ASP 76 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1spd n ASP 76 Cb 0.81 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.21 1spd n ASP 76 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1spd n GLU 77 N 0.00 0.80 -3.54 -0.67 -0.58 -1.26 -4.80 120.64 110.59 1spd n GLU 77 Ca 0.00 -0.14 -0.41 0.00 -0.42 0.00 0.00 57.16 56.19 1spd n GLU 77 Cb 0.00 -0.54 -0.10 0.00 -0.57 0.00 0.00 31.44 30.23 1spd n GLU 77 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1spd s GLU 78 N -0.15 2.85 -0.25 3.49 -1.05 -1.26 -4.95 118.70 117.37 1spd s GLU 78 Ca 0.00 -1.12 -0.35 0.00 -0.15 0.00 0.00 54.97 53.35 1spd s GLU 78 Cb 0.00 -3.84 0.16 0.00 -0.44 0.00 0.00 34.13 30.01 1spd s GLU 78 CO 0.00 -0.76 1.31 -0.98 0.95 0.00 0.00 175.26 175.78 1spd s ARG 79 N 1.58 0.14 0.48 -4.83 1.70 -1.23 -3.43 118.95 113.37 1spd s ARG 79 Ca 0.03 -0.03 -0.06 0.00 -0.47 0.00 0.00 55.73 55.19 1spd s ARG 79 Cb -0.20 0.07 -0.04 0.00 -0.57 0.00 0.00 34.95 34.21 1spd s ARG 79 CO 0.07 -0.06 0.80 -1.01 -1.08 0.00 0.00 175.30 174.03 1spd s HIS 80 N -1.88 3.56 -2.00 5.89 3.76 -1.20 -4.73 115.29 118.69 1spd s HIS 80 Ca 0.10 0.89 0.14 0.00 -0.15 0.00 0.00 55.06 56.03 1spd s HIS 80 Cb -0.01 -2.36 0.84 0.00 1.11 0.00 0.00 32.58 32.17 1spd s HIS 80 CO -0.04 -0.29 1.46 1.55 -0.85 0.00 0.00 174.74 176.56 1spd n VAL 81 N -2.18 0.00 -0.10 -0.90 3.14 -0.89 -3.56 118.33 113.84 1spd n VAL 81 Ca 0.01 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 61.20 1spd n VAL 81 Cb 0.55 -0.31 -0.08 0.00 -1.06 0.00 0.00 33.84 32.94 1spd n VAL 81 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1spd n GLY 82 N 0.58 -0.31 3.59 7.55 0.00 -0.46 -4.51 105.19 111.62 1spd n GLY 82 Ca 0.11 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1spd n GLY 82 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1spd s ASP 83 N -6.52 5.53 0.00 1.61 1.47 -1.23 -3.62 116.67 113.91 1spd s ASP 83 Ca -0.28 1.26 0.00 0.00 1.18 0.00 0.00 52.55 54.71 1spd s ASP 83 Cb 0.10 -2.52 0.00 0.00 -0.34 0.00 0.00 42.92 40.16 1spd s ASP 83 CO 0.39 -2.00 0.00 0.18 0.68 0.00 0.00 175.17 174.42 1spd n LEU 84 N 11.61 0.00 0.00 2.11 4.77 -1.15 -4.63 117.00 129.71 1spd n LEU 84 Ca 0.26 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1spd n LEU 84 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1spd n LEU 84 CO 0.69 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1spd n GLY 85 N 4.67 5.16 3.42 -0.72 0.00 -0.42 -3.60 105.19 113.69 1spd n GLY 85 Ca 0.00 -1.64 -0.24 0.00 0.00 0.00 0.00 46.02 44.14 1spd n GLY 85 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1spd s ASN 86 N 1.00 3.33 -0.06 1.61 2.47 -1.26 -0.11 114.94 121.92 1spd s ASN 86 Ca 0.00 -0.94 -0.03 0.00 0.42 0.00 0.00 52.86 52.31 1spd s ASN 86 Cb 0.00 -0.25 0.04 0.00 -1.45 0.00 0.00 41.25 39.59 1spd s ASN 86 CO 0.00 0.05 0.14 -0.69 -3.72 0.00 0.00 177.10 172.88 1spd s VAL 87 N -2.13 -0.05 -0.21 -5.21 1.01 0.11 -4.83 120.40 109.10 1spd s VAL 87 Ca 0.24 0.18 -0.12 0.00 0.00 0.00 0.00 61.98 62.27 1spd s VAL 87 Cb -0.06 -0.23 -0.05 0.00 0.00 0.00 0.00 36.38 36.04 1spd s VAL 87 CO 0.11 0.07 0.22 -0.89 0.00 0.00 0.00 175.10 174.61 1spd s THR 88 N 1.12 5.33 -0.20 3.92 2.01 -1.26 -1.09 115.64 125.47 1spd s THR 88 Ca -0.09 0.34 -0.29 0.00 0.31 0.00 0.00 61.69 61.97 1spd s THR 88 Cb -0.11 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 68.85 1spd s THR 88 CO -0.06 0.36 1.01 0.00 -0.69 0.00 0.00 174.62 175.24 1spd s ALA 89 N 0.83 3.62 0.06 7.40 0.00 -0.13 -4.16 121.76 129.39 1spd s ALA 89 Ca 0.11 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.26 1spd s ALA 89 Cb -0.13 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1spd s ALA 89 CO 0.03 -0.93 0.00 -3.47 0.00 0.00 0.00 175.76 171.39 1spd n ASP 90 N 5.99 0.00 -4.80 0.00 2.03 -1.26 -0.97 116.55 117.53 1spd n ASP 90 Ca 0.11 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.09 1spd n ASP 90 Cb 0.47 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.88 1spd n ASP 90 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1spd s LYS 91 N 3.90 3.28 -1.20 -0.67 -0.14 -1.26 -3.32 119.74 120.33 1spd s LYS 91 Ca 0.00 1.22 -0.02 0.00 -1.36 0.00 0.00 55.97 55.80 1spd s LYS 91 Cb 0.00 -2.03 0.02 0.00 -1.68 0.00 0.00 37.83 34.14 1spd s LYS 91 CO 0.00 -0.84 0.05 -0.40 -0.76 0.00 0.00 175.35 173.40 1spd n ASP 92 N -2.06 0.48 0.00 2.83 5.75 -1.26 -3.46 116.55 118.82 1spd n ASP 92 Ca 0.09 -0.96 0.00 0.00 -0.01 0.00 0.00 54.79 53.90 1spd n ASP 92 Cb 0.53 -1.20 0.00 0.00 -1.03 0.00 0.00 41.12 39.41 1spd n ASP 92 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1spd n GLY 93 N -2.05 0.00 3.11 6.12 0.00 -1.18 -4.79 105.19 106.40 1spd n GLY 93 Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 1spd n GLY 93 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1spd n VAL 94 N 0.00 4.40 -2.12 1.61 0.31 -1.22 -3.79 118.33 117.51 1spd n VAL 94 Ca 0.00 -4.68 -0.34 0.00 -0.01 0.00 0.00 64.34 59.31 1spd n VAL 94 Cb 0.00 -2.39 -0.04 0.00 -0.91 0.00 0.00 33.84 30.51 1spd n VAL 94 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1spd s ALA 95 N 0.50 2.04 -0.50 3.52 0.00 -0.04 -4.62 121.76 122.65 1spd s ALA 95 Ca 0.40 -1.19 -0.29 0.00 0.00 0.00 0.00 51.96 50.88 1spd s ALA 95 Cb 0.04 -4.42 0.03 0.00 0.00 0.00 0.00 23.12 18.76 1spd s ALA 95 CO 0.01 -4.21 1.20 -0.51 0.00 0.00 0.00 175.76 172.25 1spd s ASP 96 N 7.49 6.52 0.19 0.00 1.11 -1.26 -2.42 116.67 128.30 1spd s ASP 96 Ca 0.64 0.41 -0.20 0.00 0.18 0.00 0.00 52.55 53.57 1spd s ASP 96 Cb -0.09 -2.55 -0.08 0.00 1.07 0.00 0.00 42.92 41.27 1spd s ASP 96 CO 0.09 -1.37 0.70 -0.69 1.18 0.00 0.00 175.17 175.09 1spd s VAL 97 N 4.81 4.57 -0.04 -1.27 1.01 0.23 -4.90 120.40 124.81 1spd s VAL 97 Ca 0.49 1.33 -0.11 0.00 0.00 0.00 0.00 61.98 63.68 1spd s VAL 97 Cb -0.08 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.40 1spd s VAL 97 CO 0.30 0.32 0.26 -0.55 0.00 0.00 0.00 175.10 175.43 1spd s SER 98 N -1.48 -0.17 -0.09 3.32 0.15 -1.25 -1.15 113.70 113.03 1spd s SER 98 Ca 0.39 0.17 -0.31 0.00 0.70 0.00 0.00 55.95 56.90 1spd s SER 98 Cb -0.18 0.37 0.12 0.00 -1.71 0.00 0.00 66.02 64.62 1spd s SER 98 CO 0.22 -0.32 1.02 -0.63 1.20 0.00 0.00 173.24 174.73 1spd s ILE 99 N -0.87 0.00 -0.40 6.45 -1.09 0.64 -4.95 121.20 120.97 1spd s ILE 99 Ca -0.10 0.00 0.10 0.00 -2.23 0.00 0.00 60.65 58.43 1spd s ILE 99 Cb -0.05 -1.00 0.36 0.00 -1.58 0.00 0.00 42.46 40.19 1spd s ILE 99 CO 0.02 0.00 1.00 -0.62 -1.23 0.00 0.00 174.94 174.12 1spd n GLU 100 N -0.10 1.05 -2.49 2.79 1.02 -1.26 -1.31 120.64 120.33 1spd n GLU 100 Ca -0.05 -2.57 -0.34 0.00 -0.02 0.00 0.00 57.16 54.17 1spd n GLU 100 Cb 0.60 -1.14 -0.03 0.00 -0.02 0.00 0.00 31.44 30.86 1spd n GLU 100 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1spd s ASP 101 N -1.89 6.24 0.00 1.62 -1.08 -0.73 -4.71 116.67 116.13 1spd s ASP 101 Ca 0.29 1.96 0.16 0.00 -0.52 0.00 0.00 52.55 54.44 1spd s ASP 101 Cb 0.35 -2.56 0.04 0.00 -1.46 0.00 0.00 42.92 39.29 1spd s ASP 101 CO -0.05 -0.85 0.91 -1.54 0.52 0.00 0.00 175.17 174.16 1spd n SER 102 N -1.04 1.88 -0.12 -0.34 3.41 -1.26 -0.25 113.62 115.91 1spd n SER 102 Ca 0.10 -1.44 -0.23 0.00 -0.26 0.00 0.00 58.87 57.03 1spd n SER 102 Cb 0.52 0.31 -0.09 0.00 -0.26 0.00 0.00 64.21 64.69 1spd n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1spd n VAL 103 N 0.24 1.52 -2.29 -3.33 0.31 -1.26 -4.30 118.33 109.22 1spd n VAL 103 Ca 0.08 -0.17 -0.42 0.00 -0.01 0.00 0.00 64.34 63.82 1spd n VAL 103 Cb 0.36 -2.03 -0.03 0.00 -0.91 0.00 0.00 33.84 31.24 1spd n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1spd s ILE 104 N -2.50 3.51 0.00 2.52 -5.25 -1.26 -4.75 121.20 113.47 1spd s ILE 104 Ca -0.33 1.16 0.00 0.00 -0.99 0.00 0.00 60.65 60.49 1spd s ILE 104 Cb 0.10 -3.74 0.00 0.00 2.95 0.00 0.00 42.46 41.77 1spd s ILE 104 CO 0.49 0.13 0.00 -1.20 -1.79 0.00 0.00 174.94 172.57 1spd n SER 105 N 3.28 0.76 -0.17 4.36 7.64 -0.30 -4.25 113.62 124.93 1spd n SER 105 Ca 0.08 -0.43 0.00 0.00 1.01 0.00 0.00 58.87 59.53 1spd n SER 105 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1spd n SER 105 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1spd n LEU 106 N 0.00 0.00 0.00 -3.43 4.77 -1.26 -4.43 117.00 112.65 1spd n LEU 106 Ca 0.00 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 1spd n LEU 106 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1spd n LEU 106 CO 0.00 0.18 0.00 -0.24 -1.33 0.00 0.00 177.39 176.00 1spd n SER 107 N 0.00 0.00 0.00 -1.43 2.88 -1.26 -4.59 113.62 109.22 1spd n SER 107 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1spd n SER 107 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1spd n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1spd n GLY 108 N 0.00 2.84 7.00 0.46 0.00 -1.26 -4.95 105.19 109.28 1spd n GLY 108 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1spd n GLY 108 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1spd n ASP 109 N 0.00 0.00 -3.32 1.61 9.92 -1.26 -3.69 116.55 119.81 1spd n ASP 109 Ca 0.00 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 53.99 1spd n ASP 109 Cb 0.00 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.43 1spd n ASP 109 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1spd n HIS 110 N 3.01 0.84 -2.87 1.24 8.25 -1.26 -4.73 115.22 119.71 1spd n HIS 110 Ca 0.00 -1.22 -0.43 0.00 -0.26 0.00 0.00 57.72 55.81 1spd n HIS 110 Cb 0.00 -1.20 -0.04 0.00 1.12 0.00 0.00 29.99 29.86 1spd n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1spd n ILE 112 N 6.15 0.00 -2.11 0.00 -5.35 -1.26 -4.91 119.36 111.88 1spd n ILE 112 Ca 0.05 -0.30 -0.42 0.00 -0.27 0.00 0.00 62.75 61.81 1spd n ILE 112 Cb 0.48 1.12 -0.03 0.00 -1.74 0.00 0.00 39.64 39.47 1spd n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1spd s ILE 113 N -1.89 3.03 -0.84 7.28 -1.09 -1.26 -1.70 121.20 124.73 1spd s ILE 113 Ca 0.10 0.78 0.00 0.00 -2.23 0.00 0.00 60.65 59.30 1spd s ILE 113 Cb 0.11 -3.50 0.00 0.00 -1.58 0.00 0.00 42.46 37.49 1spd s ILE 113 CO 0.42 0.09 0.00 0.61 -1.23 0.00 0.00 174.94 174.82 1spd n GLY 114 N 3.05 0.91 3.33 6.18 0.00 0.60 -4.99 105.19 114.27 1spd n GLY 114 Ca 0.10 -0.66 -0.17 0.00 0.00 0.00 0.00 46.02 45.29 1spd n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1spd n ARG 115 N -2.67 0.67 -4.27 1.61 3.00 -0.69 -2.92 116.66 111.40 1spd n ARG 115 Ca -0.08 -2.69 -0.23 0.00 -0.01 0.00 0.00 57.85 54.85 1spd n ARG 115 Cb 0.30 -0.17 -0.12 0.00 0.00 0.00 0.00 32.46 32.46 1spd n ARG 115 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1spd s THR 116 N -2.09 1.61 -0.10 0.55 2.01 0.34 -0.88 115.64 117.08 1spd s THR 116 Ca 0.50 -1.55 0.02 0.00 0.31 0.00 0.00 61.69 60.98 1spd s THR 116 Cb -0.04 -1.50 0.01 0.00 0.01 0.00 0.00 72.50 70.98 1spd s THR 116 CO 0.32 -0.13 -0.18 -0.22 -0.69 0.00 0.00 174.62 173.73 1spd s LEU 117 N -1.97 1.84 -0.03 4.42 2.96 -0.58 -0.23 118.68 125.08 1spd s LEU 117 Ca 0.06 -0.46 0.06 0.00 -0.22 0.00 0.00 54.13 53.57 1spd s LEU 117 Cb -0.09 -1.16 -0.01 0.00 0.50 0.00 0.00 46.19 45.42 1spd s LEU 117 CO 0.04 0.06 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.24 1spd s VAL 118 N 0.77 1.63 -0.20 1.68 1.01 -0.50 -2.09 120.40 122.70 1spd s VAL 118 Ca -0.11 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 1spd s VAL 118 Cb -0.16 -1.37 -0.00 0.00 0.00 0.00 0.00 36.38 34.85 1spd s VAL 118 CO 0.01 0.46 -0.08 0.54 0.00 0.00 0.00 175.10 176.03 1spd s VAL 119 N -0.28 3.10 0.47 2.92 0.11 -1.14 -0.98 120.40 124.61 1spd s VAL 119 Ca 0.03 -0.59 0.08 0.00 -2.93 0.00 0.00 61.98 58.57 1spd s VAL 119 Cb -0.10 -2.38 0.03 0.00 -1.53 0.00 0.00 36.38 32.40 1spd s VAL 119 CO 0.01 0.46 0.60 -1.00 -3.33 0.00 0.00 175.10 171.83 1spd s HIS 120 N 1.24 2.38 -0.12 1.54 3.76 -0.40 -2.25 115.29 121.44 1spd s HIS 120 Ca 0.03 -0.52 -0.06 0.00 -0.15 0.00 0.00 55.06 54.36 1spd s HIS 120 Cb -0.14 -2.29 -0.04 0.00 1.11 0.00 0.00 32.58 31.22 1spd s HIS 120 CO -0.03 -0.58 0.04 1.49 -0.85 0.00 0.00 174.74 174.81 1spd h GLU 121 N 0.57 0.00 -7.35 1.40 4.22 -1.16 -3.37 114.58 108.89 1spd h GLU 121 Ca -0.37 0.00 -0.51 0.00 0.08 0.00 0.00 59.36 58.56 1spd h GLU 121 Cb 1.28 0.00 0.09 0.00 0.50 0.00 0.00 28.75 30.62 1spd h GLU 121 CO 0.46 0.15 0.38 0.15 -2.18 0.00 0.00 179.01 177.96 1spd s LYS 122 N -1.85 2.99 -0.01 1.92 1.02 -1.15 -4.89 119.74 117.78 1spd s LYS 122 Ca -0.07 0.88 -0.30 0.00 0.02 0.00 0.00 55.97 56.49 1spd s LYS 122 Cb 0.01 -2.00 -0.06 0.00 -0.52 0.00 0.00 37.83 35.26 1spd s LYS 122 CO 0.16 -1.04 1.49 0.00 -0.92 0.00 0.00 175.35 175.03 1spd s ALA 123 N -3.09 3.61 -0.21 5.17 0.00 -1.25 -3.40 121.76 122.60 1spd s ALA 123 Ca 0.58 0.93 -0.29 0.00 0.00 0.00 0.00 51.96 53.17 1spd s ALA 123 Cb -0.13 -3.64 -0.03 0.00 0.00 0.00 0.00 23.12 19.31 1spd s ALA 123 CO 0.55 -1.06 1.63 0.34 0.00 0.00 0.00 175.76 177.22 1spd s ASP 124 N 2.25 6.38 0.00 0.00 -1.08 -1.26 -4.46 116.67 118.50 1spd s ASP 124 Ca 0.67 1.66 0.00 0.00 -0.52 0.00 0.00 52.55 54.36 1spd s ASP 124 Cb -0.33 -2.53 0.01 0.00 -1.46 0.00 0.00 42.92 38.61 1spd s ASP 124 CO 0.27 -1.25 0.93 0.47 0.52 0.00 0.00 175.17 176.12 1spd n ASP 125 N 8.42 0.00 -1.06 -0.34 8.00 0.39 -4.90 116.55 127.06 1spd n ASP 125 Ca 0.19 0.42 -0.04 0.00 0.71 0.00 0.00 54.79 56.07 1spd n ASP 125 Cb 0.45 -0.42 -0.02 0.00 -0.02 0.00 0.00 41.12 41.11 1spd n ASP 125 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1spd n LEU 126 N -1.42 -0.28 0.00 0.64 4.77 -1.26 -3.70 117.00 115.74 1spd n LEU 126 Ca 0.00 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1spd n LEU 126 Cb 0.00 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 1spd n LEU 126 CO 0.00 -0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.45 1spd n GLY 127 N -0.06 3.36 0.00 -0.72 0.00 -1.26 -3.21 105.19 103.30 1spd n GLY 127 Ca -0.04 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1spd n GLY 127 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1spd n LYS 128 N 0.00 0.00 -0.00 1.61 -0.00 -1.25 -4.08 118.16 114.44 1spd n LYS 128 Ca 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 58.31 58.51 1spd n LYS 128 Cb 0.00 -1.54 0.00 0.00 -0.00 0.00 0.00 35.03 33.49 1spd n LYS 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1spd n GLY 129 N -1.16 -0.67 3.31 2.58 0.00 -1.24 -5.01 105.19 103.01 1spd n GLY 129 Ca 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1spd n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1spd n GLY 130 N 0.43 -0.40 3.52 -0.02 0.00 -1.26 -4.90 105.19 102.57 1spd n GLY 130 Ca 0.00 0.18 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 1spd n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1spd s ASN 131 N -3.18 -0.32 0.27 1.61 2.20 -1.26 -5.06 114.94 109.20 1spd s ASN 131 Ca 0.07 -0.00 0.25 0.00 -0.94 0.00 0.00 52.86 52.23 1spd s ASN 131 Cb -0.04 0.34 0.60 0.00 -2.00 0.00 0.00 41.25 40.14 1spd s ASN 131 CO 0.33 -0.55 1.66 -0.08 -2.94 0.00 0.00 177.10 175.52 1spd h GLU 132 N 2.00 0.00 0.00 3.55 4.57 -1.99 -2.88 114.58 119.83 1spd h GLU 132 Ca -0.20 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 1spd h GLU 132 Cb 1.23 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1spd h GLU 132 CO 0.29 0.00 -0.02 -1.91 -1.18 0.00 0.00 179.01 176.20 1spd n GLU 133 N -2.53 0.04 -0.00 1.92 4.07 -1.26 -1.94 120.64 120.94 1spd n GLU 133 Ca 0.05 0.03 -0.00 0.00 -0.06 0.00 0.00 57.16 57.17 1spd n GLU 133 Cb 0.47 -1.54 -0.00 0.00 -0.06 0.00 0.00 31.44 30.31 1spd n GLU 133 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1spd n SER 134 N -1.60 0.01 -0.33 4.31 7.64 -1.09 -2.89 113.62 119.67 1spd n SER 134 Ca 0.07 0.20 0.26 0.00 1.01 0.00 0.00 58.87 60.40 1spd n SER 134 Cb 0.35 -0.50 0.41 0.00 -1.01 0.00 0.00 64.21 63.46 1spd n SER 134 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1spd n THR 135 N -2.32 -0.04 0.00 0.44 -2.24 -1.21 0.12 114.28 109.03 1spd n THR 135 Ca -0.00 0.83 0.00 0.00 -2.27 0.00 0.00 64.05 62.61 1spd n THR 135 Cb 0.00 -1.37 0.00 0.00 -2.10 0.00 0.00 70.33 66.86 1spd n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1spd n LYS 136 N -3.22 0.00 -0.09 -0.78 5.02 -0.82 -1.83 118.16 116.45 1spd n LYS 136 Ca 0.23 0.10 -0.11 0.00 -2.02 0.00 0.00 58.31 56.51 1spd n LYS 136 Cb 0.98 -0.79 -0.12 0.00 -0.02 0.00 0.00 35.03 35.08 1spd n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1spd n THR 137 N -0.80 1.18 0.00 -0.18 -2.24 0.20 -4.62 114.28 107.81 1spd n THR 137 Ca 0.00 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1spd n THR 137 Cb 0.00 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.39 1spd n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1spd n GLY 138 N 2.18 1.49 3.50 3.38 0.00 0.33 -4.68 105.19 111.39 1spd n GLY 138 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1spd n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1spd n ASN 139 N 0.00 -2.52 -2.25 1.61 4.13 -1.21 0.15 115.26 115.16 1spd n ASN 139 Ca 0.00 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.25 1spd n ASN 139 Cb 0.00 -2.83 -0.01 0.00 -1.54 0.00 0.00 39.78 35.39 1spd n ASN 139 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1spd n ALA 140 N 0.98 1.74 0.00 5.41 0.00 -1.26 -4.85 120.51 122.53 1spd n ALA 140 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1spd n ALA 140 Cb 0.21 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.54 1spd n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1spd n GLY 141 N 2.57 0.22 3.74 0.00 0.00 -1.26 -2.92 105.19 107.54 1spd n GLY 141 Ca 0.04 0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1spd n GLY 141 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1spd s SER 142 N -0.44 2.58 -0.64 1.61 0.01 -1.26 -4.77 113.70 110.78 1spd s SER 142 Ca 0.00 0.80 -0.08 0.00 1.31 0.00 0.00 55.95 57.98 1spd s SER 142 Cb 0.00 -1.22 0.17 0.00 0.21 0.00 0.00 66.02 65.18 1spd s SER 142 CO 0.00 -3.12 0.51 -0.60 0.41 0.00 0.00 173.24 170.45 1spd s ARG 143 N -5.35 2.85 -0.02 12.44 6.06 -1.26 -1.11 118.95 132.55 1spd s ARG 143 Ca 0.68 -2.30 0.13 0.00 -2.50 0.00 0.00 55.73 51.73 1spd s ARG 143 Cb -0.12 -3.99 -0.21 0.00 0.06 0.00 0.00 34.95 30.68 1spd s ARG 143 CO 0.55 -1.21 0.73 -0.07 -2.50 0.00 0.00 175.30 172.79 1spd h LEU 144 N 7.64 0.00 -7.71 -0.88 4.07 -1.73 -3.47 115.31 113.23 1spd h LEU 144 Ca -0.03 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.78 1spd h LEU 144 Cb 1.01 0.00 -0.21 0.00 1.08 0.00 0.00 40.66 42.54 1spd h LEU 144 CO 0.77 0.94 -0.48 0.00 -1.08 0.00 0.00 178.44 178.58 1spd s ALA 145 N -2.65 -0.36 0.15 1.53 0.00 -1.14 -3.49 121.76 115.81 1spd s ALA 145 Ca -0.04 -0.04 -0.18 0.00 0.00 0.00 0.00 51.96 51.71 1spd s ALA 145 Cb 0.08 0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.30 1spd s ALA 145 CO 0.82 -0.19 0.47 0.00 0.00 0.00 0.00 175.76 176.86 1spd s GLY 147 N -2.82 -0.47 0.04 0.00 0.00 -0.89 -1.40 107.32 101.79 1spd s GLY 147 Ca 0.05 0.66 -0.23 0.00 0.00 0.00 0.00 44.72 45.20 1spd s GLY 147 CO -0.09 0.22 0.69 0.14 0.00 0.00 0.00 173.10 174.06 1spd s VAL 148 N -3.40 4.76 -0.69 1.40 1.01 -1.26 -1.53 120.40 120.69 1spd s VAL 148 Ca 0.05 1.47 -0.27 0.00 0.00 0.00 0.00 61.98 63.22 1spd s VAL 148 Cb -0.01 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.35 1spd s VAL 148 CO -0.08 0.41 1.33 -0.63 0.00 0.00 0.00 175.10 176.13 1spd s ILE 149 N -0.27 3.73 0.00 2.22 1.09 -0.06 -4.42 121.20 123.50 1spd s ILE 149 Ca 0.35 0.49 0.00 0.00 -1.10 0.00 0.00 60.65 60.39 1spd s ILE 149 Cb -0.20 -4.76 0.00 0.00 -1.06 0.00 0.00 42.46 36.44 1spd s ILE 149 CO 0.21 -1.63 0.00 0.61 -0.10 0.00 0.00 174.94 174.02 1spd n GLY 150 N 5.35 1.63 2.71 6.18 0.00 -0.39 -0.29 105.19 120.39 1spd n GLY 150 Ca 0.06 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.09 1spd n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1spd s ILE 151 N 3.02 0.71 0.00 -0.61 1.01 -1.26 -2.46 121.20 121.61 1spd s ILE 151 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 60.65 59.43 1spd s ILE 151 Cb 0.00 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 40.97 1spd s ILE 151 CO 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 174.94 174.31 1spd n ALA 152 N 4.92 0.00 -1.45 9.38 0.00 -1.13 -4.89 120.51 127.35 1spd n ALA 152 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1spd n ALA 152 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1spd n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50