#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r3d s LEU 1 N 0.00 2.86 0.65 2.46 1.43 -1.26 -4.90 118.68 119.93 1r3d s LEU 1 Ca 0.00 -0.90 -0.17 0.00 -1.03 0.00 0.00 54.13 52.04 1r3d s LEU 1 Cb 0.00 -1.34 -0.00 0.00 0.03 0.00 0.00 46.19 44.87 1r3d s LEU 1 CO 0.00 -0.02 1.18 -0.76 0.23 0.00 0.00 176.35 176.98 1r3d s LEU 2 N -3.60 3.48 0.38 1.79 1.43 -1.26 -4.98 118.68 115.92 1r3d s LEU 2 Ca 0.31 2.27 -0.27 0.00 -1.03 0.00 0.00 54.13 55.41 1r3d s LEU 2 Cb -0.04 -4.58 -0.11 0.00 0.03 0.00 0.00 46.19 41.48 1r3d s LEU 2 CO 0.17 -1.81 1.33 -1.20 0.23 0.00 0.00 176.35 175.07 1r3d n SER 3 N -2.17 2.92 -3.44 2.29 7.64 -1.26 -4.84 113.62 114.77 1r3d n SER 3 Ca 0.13 1.18 -0.13 0.00 1.01 0.00 0.00 58.87 61.05 1r3d n SER 3 Cb 0.50 -1.52 -0.03 0.00 -1.01 0.00 0.00 64.21 62.16 1r3d n SER 3 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1r3d s ASN 4 N -0.35 -0.58 -0.17 6.43 2.20 -1.26 -0.76 114.94 120.45 1r3d s ASN 4 Ca 0.57 0.10 -0.10 0.00 -0.94 0.00 0.00 52.86 52.49 1r3d s ASN 4 Cb -0.53 0.59 0.06 0.00 -2.00 0.00 0.00 41.25 39.37 1r3d s ASN 4 CO 0.61 -0.92 0.41 -1.58 -2.94 0.00 0.00 177.10 172.69 1r3d s GLN 5 N -3.37 0.41 -0.09 3.55 0.74 -0.22 -4.99 119.66 115.69 1r3d s GLN 5 Ca -0.01 0.75 -0.15 0.00 0.05 0.00 0.00 55.36 56.00 1r3d s GLN 5 Cb -0.01 0.03 -0.05 0.00 1.10 0.00 0.00 33.01 34.08 1r3d s GLN 5 CO -0.10 -0.14 0.37 -1.17 -0.55 0.00 0.00 175.29 173.70 1r3d s LEU 6 N 1.15 4.34 0.12 3.68 2.96 -1.26 -1.02 118.68 128.66 1r3d s LEU 6 Ca -0.08 0.74 0.11 0.00 -0.22 0.00 0.00 54.13 54.68 1r3d s LEU 6 Cb -0.07 -2.51 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 1r3d s LEU 6 CO -0.10 0.17 -0.26 -1.00 -1.32 0.00 0.00 176.35 173.84 1r3d s HIS 7 N -0.11 2.26 0.00 5.38 3.76 0.15 -4.94 115.29 121.80 1r3d s HIS 7 Ca 0.21 -0.39 0.00 0.00 -0.15 0.00 0.00 55.06 54.74 1r3d s HIS 7 Cb -0.15 -1.24 0.00 0.00 1.11 0.00 0.00 32.58 32.31 1r3d s HIS 7 CO 0.09 0.31 0.00 1.19 -0.85 0.00 0.00 174.74 175.48 1r3d n PHE 8 N 0.98 0.00 -3.54 1.40 3.72 -1.26 -2.05 117.46 116.71 1r3d n PHE 8 Ca -0.18 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.13 1r3d n PHE 8 Cb 0.53 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.05 1r3d n PHE 8 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1r3d s ALA 9 N 0.00 -1.62 0.09 4.37 0.00 -1.26 -5.03 121.76 118.31 1r3d s ALA 9 Ca 0.00 0.50 -0.31 0.00 0.00 0.00 0.00 51.96 52.15 1r3d s ALA 9 Cb 0.00 0.71 -0.09 0.00 0.00 0.00 0.00 23.12 23.74 1r3d s ALA 9 CO 0.00 -0.81 1.66 0.21 0.00 0.00 0.00 175.76 176.81 1r3d s LYS 10 N -3.53 4.19 0.21 0.00 2.20 -1.26 -4.58 119.74 116.97 1r3d s LYS 10 Ca 0.05 2.36 -0.30 0.00 -0.36 0.00 0.00 55.97 57.72 1r3d s LYS 10 Cb -0.02 -3.53 -0.09 0.00 -1.51 0.00 0.00 37.83 32.68 1r3d s LYS 10 CO -0.07 -0.73 1.32 -2.14 -0.36 0.00 0.00 175.35 173.37 1r3d s PRO 11 N 2.43 4.37 0.35 4.03 0.02 -1.26 -4.80 135.00 140.15 1r3d s PRO 11 Ca 0.74 2.09 -0.02 0.00 0.02 0.00 0.00 61.00 63.83 1r3d s PRO 11 Cb -0.41 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 30.93 1r3d s PRO 11 CO 0.32 -0.27 0.47 0.95 -0.33 0.00 0.00 177.00 178.15 1r3d s THR 12 N 0.07 0.00 0.55 0.99 -4.23 -0.66 -4.94 115.64 107.42 1r3d s THR 12 Ca 0.57 -1.62 0.25 0.00 -1.18 0.00 0.00 61.69 59.71 1r3d s THR 12 Cb -0.37 -2.65 0.37 0.00 1.34 0.00 0.00 72.50 71.19 1r3d s THR 12 CO 0.39 0.00 2.04 0.00 -0.54 0.00 0.00 174.62 176.51 1r3d h ALA 13 N 2.10 2.21 0.00 3.99 0.00 -1.95 -2.30 119.26 123.31 1r3d h ALA 13 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1r3d h ALA 13 Cb 1.24 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1r3d h ALA 13 CO 0.38 -0.46 -0.86 0.54 0.00 0.00 0.00 179.25 178.86 1r3d n ARG 14 N -4.20 0.08 -3.62 0.00 5.12 -1.26 -4.71 116.66 108.07 1r3d n ARG 14 Ca 0.05 -0.01 -0.29 0.00 -1.93 0.00 0.00 57.85 55.67 1r3d n ARG 14 Cb 0.45 -1.52 -0.14 0.00 -1.16 0.00 0.00 32.46 30.09 1r3d n ARG 14 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1r3d s THR 15 N -3.06 0.71 0.66 0.55 2.01 -0.86 -4.95 115.64 110.70 1r3d s THR 15 Ca 0.08 -1.77 -0.16 0.00 0.31 0.00 0.00 61.69 60.14 1r3d s THR 15 Cb 0.16 -1.52 0.00 0.00 0.01 0.00 0.00 72.50 71.15 1r3d s THR 15 CO 0.80 -0.84 1.17 -2.84 -0.69 0.00 0.00 174.62 172.22 1r3d s PRO 16 N 1.12 2.64 -0.25 4.92 0.02 -1.26 -1.66 135.00 140.54 1r3d s PRO 16 Ca 0.15 1.66 -0.15 0.00 0.02 0.00 0.00 61.00 62.67 1r3d s PRO 16 Cb -0.21 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.37 1r3d s PRO 16 CO -0.11 -1.43 0.37 -1.17 -0.33 0.00 0.00 177.00 174.33 1r3d s LEU 17 N -4.69 4.08 -0.34 -5.54 2.96 -0.48 -0.78 118.68 113.89 1r3d s LEU 17 Ca 0.73 0.35 -0.16 0.00 -0.22 0.00 0.00 54.13 54.83 1r3d s LEU 17 Cb -0.27 -2.44 -0.01 0.00 0.50 0.00 0.00 46.19 43.98 1r3d s LEU 17 CO 0.40 -0.14 0.38 -0.69 -1.32 0.00 0.00 176.35 174.97 1r3d s VAL 18 N 1.81 5.15 -0.21 1.68 1.01 0.25 -1.08 120.40 129.00 1r3d s VAL 18 Ca 0.16 0.09 -0.13 0.00 0.00 0.00 0.00 61.98 62.09 1r3d s VAL 18 Cb -0.15 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1r3d s VAL 18 CO 0.09 -0.11 0.29 -0.69 0.00 0.00 0.00 175.10 174.69 1r3d s VAL 19 N 2.07 5.27 -0.19 2.92 1.01 0.24 -0.44 120.40 131.28 1r3d s VAL 19 Ca 0.13 0.48 -0.01 0.00 0.00 0.00 0.00 61.98 62.57 1r3d s VAL 19 Cb -0.16 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1r3d s VAL 19 CO 0.12 0.30 -0.12 -0.76 0.00 0.00 0.00 175.10 174.64 1r3d s LEU 20 N 1.12 2.57 -0.21 3.92 1.43 0.07 -0.29 118.68 127.29 1r3d s LEU 20 Ca 0.14 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1r3d s LEU 20 Cb -0.14 -1.61 0.04 0.00 0.03 0.00 0.00 46.19 44.51 1r3d s LEU 20 CO 0.06 0.03 -0.13 -0.69 0.23 0.00 0.00 176.35 175.84 1r3d s VAL 21 N 1.17 1.93 1.11 -1.59 1.01 0.07 -3.39 120.40 120.72 1r3d s VAL 21 Ca 0.02 -1.19 -0.19 0.00 0.00 0.00 0.00 61.98 60.62 1r3d s VAL 21 Cb -0.14 -1.94 0.27 0.00 0.00 0.00 0.00 36.38 34.56 1r3d s VAL 21 CO -0.04 0.22 1.22 0.00 0.00 0.00 0.00 175.10 176.49 1r3d n HIS 22 N 4.58 -3.95 -3.97 5.22 1.44 -1.26 -1.27 115.22 116.01 1r3d n HIS 22 Ca -0.16 -1.09 -0.22 0.00 -2.01 0.00 0.00 57.72 54.24 1r3d n HIS 22 Cb 0.46 -1.09 -0.01 0.00 0.12 0.00 0.00 29.99 29.47 1r3d n HIS 22 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1r3d n GLY 23 N -4.25 2.98 3.68 -1.39 0.00 -1.21 -2.80 105.19 102.19 1r3d n GLY 23 Ca 0.16 -2.29 -0.44 0.00 0.00 0.00 0.00 46.02 43.45 1r3d n GLY 23 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1r3d n LEU 24 N 0.00 3.26 0.00 0.99 7.94 -1.26 -1.61 117.00 126.32 1r3d n LEU 24 Ca -0.05 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.01 1r3d n LEU 24 Cb 0.51 -1.45 0.00 0.00 0.53 0.00 0.00 43.42 43.01 1r3d n LEU 24 CO 0.29 -0.45 0.00 0.18 -1.11 0.00 0.00 177.39 176.30 1r3d n LEU 25 N 1.91 0.00 0.00 -1.96 4.77 -1.26 -5.00 117.00 115.45 1r3d n LEU 25 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1r3d n LEU 25 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1r3d n LEU 25 CO 0.63 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1r3d n GLY 26 N -2.00 0.42 3.83 -0.72 0.00 -0.63 -4.87 105.19 101.21 1r3d n GLY 26 Ca 0.00 -1.86 -0.07 0.00 0.00 0.00 0.00 46.02 44.09 1r3d n GLY 26 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r3d s SER 27 N -1.00 -0.09 0.58 1.61 1.04 -1.26 -4.25 113.70 110.32 1r3d s SER 27 Ca 0.00 -0.87 0.28 0.00 0.48 0.00 0.00 55.95 55.84 1r3d s SER 27 Cb 0.00 0.75 1.62 0.00 0.10 0.00 0.00 66.02 68.49 1r3d s SER 27 CO 0.00 -1.45 2.09 1.23 0.98 0.00 0.00 173.24 176.10 1r3d h GLY 28 N 2.00 0.00 2.00 7.32 0.00 -1.93 -0.33 103.07 112.13 1r3d h GLY 28 Ca -0.27 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1r3d h GLY 28 CO 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 176.54 176.84 1r3d h ALA 29 N 1.77 1.11 -0.03 3.60 0.00 -1.95 -2.46 119.26 121.30 1r3d h ALA 29 Ca 0.10 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1r3d h ALA 29 Cb 0.51 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1r3d h ALA 29 CO -0.00 0.04 0.05 -0.44 0.00 0.00 0.00 179.25 178.90 1r3d h ASP 30 N 0.00 0.00 0.14 0.00 3.45 -1.45 -2.51 116.42 116.04 1r3d h ASP 30 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1r3d h ASP 30 Cb 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.00 1r3d h ASP 30 CO 0.00 0.00 -0.05 0.79 -1.57 0.00 0.00 179.24 178.42 1r3d n TRP 31 N -3.54 0.00 -0.24 4.55 7.02 -0.92 -4.45 117.44 119.85 1r3d n TRP 31 Ca -0.02 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.45 1r3d n TRP 31 Cb 0.13 -0.07 0.11 0.00 -2.42 0.00 0.00 31.31 29.06 1r3d n TRP 31 CO 0.00 0.00 0.00 0.37 -2.02 0.00 0.00 177.69 176.04 1r3d h GLN 32 N 0.98 0.67 -0.47 -0.99 5.75 -1.65 -0.47 115.11 118.93 1r3d h GLN 32 Ca 0.00 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.49 1r3d h GLN 32 Cb 0.30 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.66 1r3d h GLN 32 CO 0.00 0.44 0.25 -1.35 -2.65 0.00 0.00 178.83 175.52 1r3d h PRO 33 N 0.69 0.48 -0.51 -2.39 0.11 -1.85 -0.34 132.00 128.19 1r3d h PRO 33 Ca 0.31 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.38 1r3d h PRO 33 Cb 0.21 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 1r3d h PRO 33 CO -0.19 0.32 0.28 0.28 -0.21 0.00 0.00 178.00 178.47 1r3d h VAL 34 N 0.49 1.18 -0.48 3.15 2.07 -1.68 -2.84 116.25 118.14 1r3d h VAL 34 Ca 0.20 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 1r3d h VAL 34 Cb 0.08 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1r3d h VAL 34 CO -0.13 0.19 0.18 -0.07 0.02 0.00 0.00 177.57 177.76 1r3d h LEU 35 N 0.68 0.63 -0.95 2.57 3.38 -0.76 0.52 115.31 121.38 1r3d h LEU 35 Ca 0.18 -0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.20 1r3d h LEU 35 Cb 0.05 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 40.55 1r3d h LEU 35 CO -0.03 0.58 0.57 0.28 0.09 0.00 0.00 178.44 179.93 1r3d h SER 36 N 0.69 0.82 0.63 -0.43 0.02 -0.82 -1.11 113.55 113.34 1r3d h SER 36 Ca 0.17 0.06 -0.25 0.00 -0.84 0.00 0.00 61.79 60.93 1r3d h SER 36 Cb 0.15 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 1r3d h SER 36 CO -0.01 0.42 -1.11 0.45 -1.14 0.00 0.00 176.83 175.44 1r3d h HIS 37 N 0.89 0.42 0.00 3.45 3.86 -1.24 -3.33 115.15 119.20 1r3d h HIS 37 Ca 0.48 -0.28 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1r3d h HIS 37 Cb 0.51 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.95 1r3d h HIS 37 CO -0.03 1.18 0.00 -0.07 0.86 0.00 0.00 177.93 179.87 1r3d h LEU 38 N 0.09 0.00 -2.07 2.43 3.38 -0.26 -3.30 115.31 115.58 1r3d h LEU 38 Ca -0.10 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.98 1r3d h LEU 38 Cb 1.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 1r3d h LEU 38 CO 0.18 0.00 0.33 0.00 0.09 0.00 0.00 178.44 179.04 1r3d h ALA 39 N 2.15 2.15 0.00 1.53 0.00 -1.34 0.06 119.26 123.81 1r3d h ALA 39 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1r3d h ALA 39 Cb 0.63 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1r3d h ALA 39 CO 0.00 -0.52 0.00 0.54 0.00 0.00 0.00 179.25 179.27 1r3d n ARG 40 N -4.00 0.23 -4.08 0.00 3.00 -1.24 -4.77 116.66 105.79 1r3d n ARG 40 Ca 0.06 0.35 -0.35 0.00 -0.01 0.00 0.00 57.85 57.91 1r3d n ARG 40 Cb 0.51 -1.86 -0.09 0.00 0.00 0.00 0.00 32.46 31.01 1r3d n ARG 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1r3d s THR 41 N -3.25 4.73 -0.40 0.55 2.01 0.00 -5.03 115.64 114.26 1r3d s THR 41 Ca 0.06 -0.06 -0.27 0.00 0.31 0.00 0.00 61.69 61.73 1r3d s THR 41 Cb 0.10 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 1r3d s THR 41 CO 0.47 0.51 2.04 -1.58 -0.69 0.00 0.00 174.62 175.37 1r3d s GLN 42 N -0.04 2.86 0.20 4.92 0.74 -1.26 -4.87 119.66 122.21 1r3d s GLN 42 Ca 0.06 1.38 -0.24 0.00 0.05 0.00 0.00 55.36 56.62 1r3d s GLN 42 Cb -0.12 -4.36 0.05 0.00 1.10 0.00 0.00 33.01 29.67 1r3d s GLN 42 CO 0.01 -2.41 0.88 0.00 -0.55 0.00 0.00 175.29 173.22 1r3d s ALA 44 N -3.48 3.00 0.05 0.00 0.00 0.04 -4.23 121.76 117.14 1r3d s ALA 44 Ca 0.12 -1.29 0.05 0.00 0.00 0.00 0.00 51.96 50.85 1r3d s ALA 44 Cb -0.03 -0.89 -0.02 0.00 0.00 0.00 0.00 23.12 22.17 1r3d s ALA 44 CO 0.04 0.60 -0.15 0.00 0.00 0.00 0.00 175.76 176.25 1r3d s ALA 45 N -1.35 1.30 -0.15 0.00 0.00 -0.87 -0.58 121.76 120.10 1r3d s ALA 45 Ca 0.23 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1r3d s ALA 45 Cb -0.11 -0.19 0.03 0.00 0.00 0.00 0.00 23.12 22.85 1r3d s ALA 45 CO 0.15 0.24 -0.13 -1.17 0.00 0.00 0.00 175.76 174.85 1r3d s LEU 46 N -1.32 1.70 0.05 0.00 2.96 0.41 0.34 118.68 122.81 1r3d s LEU 46 Ca 0.02 -0.52 -0.00 0.00 -0.22 0.00 0.00 54.13 53.41 1r3d s LEU 46 Cb -0.09 -1.15 -0.04 0.00 0.50 0.00 0.00 46.19 45.42 1r3d s LEU 46 CO 0.02 -0.08 0.19 0.42 -1.32 0.00 0.00 176.35 175.58 1r3d s THR 47 N 1.50 5.30 0.04 3.68 -4.23 -0.19 -0.75 115.64 121.00 1r3d s THR 47 Ca 0.04 -0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 1r3d s THR 47 Cb -0.13 -3.56 -0.03 0.00 1.34 0.00 0.00 72.50 70.12 1r3d s THR 47 CO -0.10 0.18 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.36 1r3d s LEU 48 N -2.36 2.33 -0.16 4.79 1.43 -1.22 -1.06 118.68 122.44 1r3d s LEU 48 Ca 0.33 -0.69 -0.05 0.00 -1.03 0.00 0.00 54.13 52.69 1r3d s LEU 48 Cb -0.13 0.05 -0.03 0.00 0.03 0.00 0.00 46.19 46.11 1r3d s LEU 48 CO 0.25 -0.37 0.01 -1.81 0.23 0.00 0.00 176.35 174.66 1r3d s ASP 49 N -2.01 5.19 0.73 2.29 1.01 0.06 -3.40 116.67 120.55 1r3d s ASP 49 Ca -0.06 -0.02 -0.12 0.00 0.71 0.00 0.00 52.55 53.06 1r3d s ASP 49 Cb -0.04 -1.84 0.03 0.00 1.01 0.00 0.00 42.92 42.08 1r3d s ASP 49 CO -0.03 0.19 1.10 -0.76 0.21 0.00 0.00 175.17 175.87 1r3d s LEU 50 N 0.28 3.17 0.23 1.23 1.43 -1.26 -4.30 118.68 119.46 1r3d s LEU 50 Ca 0.00 1.89 -0.30 0.00 -1.03 0.00 0.00 54.13 54.69 1r3d s LEU 50 Cb -0.13 -4.53 -0.15 0.00 0.03 0.00 0.00 46.19 41.41 1r3d s LEU 50 CO 0.02 -1.88 1.07 -2.65 0.23 0.00 0.00 176.35 173.13 1r3d n PRO 51 N -3.10 1.22 -0.97 1.29 -0.02 -1.26 -1.66 135.00 130.52 1r3d n PRO 51 Ca 0.10 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1r3d n PRO 51 Cb 0.53 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1r3d n PRO 51 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r3d n GLY 52 N 1.65 0.70 3.41 -1.23 0.00 -1.26 -4.98 105.19 103.47 1r3d n GLY 52 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 1r3d n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1r3d s HIS 53 N -2.91 1.97 0.00 1.61 3.76 -0.66 -4.40 115.29 114.65 1r3d s HIS 53 Ca 0.00 -0.50 0.00 0.00 -0.15 0.00 0.00 55.06 54.41 1r3d s HIS 53 Cb 0.00 -0.93 0.00 0.00 1.11 0.00 0.00 32.58 32.76 1r3d s HIS 53 CO 0.00 0.49 0.00 0.41 -0.85 0.00 0.00 174.74 174.79 1r3d n GLY 54 N -0.51 -2.43 0.73 -2.22 0.00 -1.26 -4.22 105.19 95.28 1r3d n GLY 54 Ca -0.07 -1.92 -0.00 0.00 0.00 0.00 0.00 46.02 44.03 1r3d n GLY 54 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r3d n THR 55 N -0.08 0.46 -2.02 2.61 -2.24 -1.26 -3.62 114.28 108.13 1r3d n THR 55 Ca 0.00 -0.13 0.03 0.00 -2.27 0.00 0.00 64.05 61.68 1r3d n THR 55 Cb 0.00 -0.59 0.04 0.00 -2.10 0.00 0.00 70.33 67.68 1r3d n THR 55 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1r3d n ASN 56 N 0.12 0.72 0.00 3.42 0.23 -1.26 -5.24 115.26 113.25 1r3d n ASN 56 Ca 0.03 -2.27 0.00 0.00 -0.53 0.00 0.00 54.58 51.81 1r3d n ASN 56 Cb 0.40 -0.28 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 1r3d n ASN 56 CO 0.00 0.00 0.00 -2.65 -0.93 0.00 0.00 177.26 173.68 1r3d n PRO 57 N -0.09 0.00 0.00 -0.53 -0.02 -1.24 -4.88 135.00 128.24 1r3d n PRO 57 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1r3d n PRO 57 Cb 0.83 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.31 1r3d n PRO 57 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r3d n ALA 65 N 0.00 0.00 0.06 3.55 0.00 -1.26 -4.51 120.51 118.35 1r3d n ALA 65 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1r3d n ALA 65 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1r3d n ALA 65 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1r3d h GLU 66 N 0.00 -0.24 -0.92 0.00 4.57 -2.01 -0.12 114.58 115.86 1r3d h GLU 66 Ca 0.00 0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.27 1r3d h GLU 66 Cb 0.00 0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 28.58 1r3d h GLU 66 CO 0.00 0.10 0.60 0.00 -1.18 0.00 0.00 179.01 178.53 1r3d h ALA 67 N -0.58 1.53 -0.18 2.92 0.00 -2.02 -2.63 119.26 118.29 1r3d h ALA 67 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1r3d h ALA 67 Cb 0.46 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1r3d h ALA 67 CO 0.04 0.32 0.07 0.28 0.00 0.00 0.00 179.25 179.96 1r3d h VAL 68 N 1.02 1.16 0.00 0.00 2.07 -1.91 -0.63 116.25 117.96 1r3d h VAL 68 Ca 0.41 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1r3d h VAL 68 Cb 0.26 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1r3d h VAL 68 CO -0.16 0.16 0.00 -0.62 0.02 0.00 0.00 177.57 176.96 1r3d n GLU 69 N -4.84 0.00 0.00 1.57 1.02 -0.06 -1.31 120.64 117.02 1r3d n GLU 69 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1r3d n GLU 69 Cb 0.12 -0.91 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 1r3d n GLU 69 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1r3d n ILE 71 N 0.42 0.00 -0.24 -3.67 5.41 -0.24 -0.89 119.36 120.15 1r3d n ILE 71 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 1r3d n ILE 71 Cb 0.00 0.00 0.07 0.00 -0.71 0.00 0.00 39.64 39.00 1r3d n ILE 71 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1r3d h GLU 72 N 0.00 0.80 -0.50 0.38 4.22 -1.47 -1.25 114.58 116.77 1r3d h GLU 72 Ca 0.00 -0.05 -0.08 0.00 0.08 0.00 0.00 59.36 59.31 1r3d h GLU 72 Cb 0.00 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1r3d h GLU 72 CO 0.00 0.53 0.00 1.96 -2.18 0.00 0.00 179.01 179.32 1r3d h GLN 73 N 0.83 0.87 -0.64 1.92 4.20 -1.28 0.64 115.11 121.65 1r3d h GLN 73 Ca 0.27 -0.28 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 1r3d h GLN 73 Cb 0.02 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 1r3d h GLN 73 CO -0.11 0.91 0.18 1.15 -0.67 0.00 0.00 178.83 180.29 1r3d h THR 74 N 0.74 1.25 -0.26 -0.54 2.02 -1.74 -1.42 112.91 112.96 1r3d h THR 74 Ca 0.14 -0.89 -0.06 0.00 0.77 0.00 0.00 66.41 66.37 1r3d h THR 74 Cb 0.51 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1r3d h THR 74 CO 0.03 0.34 -0.08 0.58 0.37 0.00 0.00 175.52 176.76 1r3d h VAL 75 N 0.93 1.29 -0.68 3.16 2.07 -1.13 -3.02 116.25 118.86 1r3d h VAL 75 Ca 0.20 -1.10 0.11 0.00 0.82 0.00 0.00 66.70 66.73 1r3d h VAL 75 Cb 0.32 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 1r3d h VAL 75 CO -0.00 0.35 0.45 -0.61 0.02 0.00 0.00 177.57 177.78 1r3d h GLN 76 N 0.25 0.47 0.00 1.57 5.75 -0.71 -0.47 115.11 121.97 1r3d h GLN 76 Ca 0.06 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1r3d h GLN 76 Cb 0.55 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.00 1r3d h GLN 76 CO 0.03 0.31 0.00 0.00 -2.65 0.00 0.00 178.83 176.52 1r3d n ALA 77 N -2.50 1.48 0.27 3.38 0.00 -0.55 -2.69 120.51 119.90 1r3d n ALA 77 Ca 0.12 -0.01 0.03 0.00 0.00 0.00 0.00 53.44 53.58 1r3d n ALA 77 Cb 0.40 -1.21 0.03 0.00 0.00 0.00 0.00 19.45 18.67 1r3d n ALA 77 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1r3d n HIS 78 N -1.63 0.00 -4.32 0.00 8.25 -0.19 -5.05 115.22 112.28 1r3d n HIS 78 Ca 0.02 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.32 1r3d n HIS 78 Cb 0.13 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.14 1r3d n HIS 78 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1r3d s VAL 79 N -0.58 0.65 0.49 1.59 -7.23 -1.10 -4.76 120.40 109.46 1r3d s VAL 79 Ca 0.07 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.30 1r3d s VAL 79 Cb 0.05 -2.55 -0.01 0.00 0.56 0.00 0.00 36.38 34.44 1r3d s VAL 79 CO 0.09 -0.10 0.22 0.42 -0.31 0.00 0.00 175.10 175.42 1r3d s THR 80 N -3.69 1.78 -0.11 5.32 -4.23 -1.26 -4.92 115.64 108.53 1r3d s THR 80 Ca 0.35 -1.70 0.28 0.00 -1.18 0.00 0.00 61.69 59.44 1r3d s THR 80 Cb 0.07 -2.47 0.30 0.00 1.34 0.00 0.00 72.50 71.74 1r3d s THR 80 CO 0.12 0.00 1.85 0.77 -0.54 0.00 0.00 174.62 176.82 1r3d h SER 81 N 1.16 0.00 1.47 3.99 4.64 -1.98 -2.07 113.55 120.76 1r3d h SER 81 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1r3d h SER 81 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1r3d h SER 81 CO 0.66 0.00 -0.13 -0.33 -0.87 0.00 0.00 176.83 176.16 1r3d h GLU 82 N 0.00 0.00 -5.88 4.77 5.08 -1.98 -3.40 114.58 113.18 1r3d h GLU 82 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 1r3d h GLU 82 Cb 0.23 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.40 1r3d h GLU 82 CO 0.00 0.00 0.49 0.08 -1.00 0.00 0.00 179.01 178.58 1r3d s VAL 83 N -3.14 4.83 0.24 3.13 1.01 -0.78 -4.17 120.40 121.52 1r3d s VAL 83 Ca 0.09 1.65 -0.30 0.00 0.00 0.00 0.00 61.98 63.42 1r3d s VAL 83 Cb 0.11 -4.15 -0.09 0.00 0.00 0.00 0.00 36.38 32.25 1r3d s VAL 83 CO 0.64 -0.06 1.24 -2.16 0.00 0.00 0.00 175.10 174.76 1r3d s PRO 84 N 2.68 4.46 -0.03 2.72 0.04 -1.26 -4.27 135.00 139.34 1r3d s PRO 84 Ca 0.37 1.99 0.07 0.00 0.04 0.00 0.00 61.00 63.47 1r3d s PRO 84 Cb -0.16 -3.18 -0.02 0.00 0.04 0.00 0.00 34.50 31.19 1r3d s PRO 84 CO 0.09 -0.10 -0.23 0.08 0.04 0.00 0.00 177.00 176.87 1r3d s VAL 85 N -0.47 1.85 -0.13 -0.36 1.01 -0.38 -1.38 120.40 120.55 1r3d s VAL 85 Ca 0.51 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1r3d s VAL 85 Cb -0.35 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.49 1r3d s VAL 85 CO 0.42 0.52 -0.22 -0.63 0.00 0.00 0.00 175.10 175.19 1r3d s ILE 86 N -0.46 1.98 -0.23 2.22 1.01 -0.24 -0.29 121.20 125.19 1r3d s ILE 86 Ca 0.06 -0.94 -0.09 0.00 0.00 0.00 0.00 60.65 59.68 1r3d s ILE 86 Cb -0.10 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 1r3d s ILE 86 CO -0.00 0.54 0.11 -0.76 0.00 0.00 0.00 174.94 174.82 1r3d s LEU 87 N 0.71 3.81 -0.12 2.97 1.43 -0.66 -0.59 118.68 126.24 1r3d s LEU 87 Ca -0.10 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 1r3d s LEU 87 Cb -0.16 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.06 1r3d s LEU 87 CO 0.01 0.05 -0.17 -0.69 0.23 0.00 0.00 176.35 175.78 1r3d s VAL 88 N 1.12 1.68 -0.01 -1.59 1.01 0.60 -0.53 120.40 122.67 1r3d s VAL 88 Ca 0.06 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1r3d s VAL 88 Cb -0.14 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.74 1r3d s VAL 88 CO 0.04 0.48 -0.02 -0.83 0.00 0.00 0.00 175.10 174.77 1r3d s GLY 89 N 0.91 0.17 -0.21 4.51 0.00 -0.46 -0.75 107.32 111.50 1r3d s GLY 89 Ca -0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 44.72 44.57 1r3d s GLY 89 CO -0.01 0.16 0.06 -0.47 0.00 0.00 0.00 173.10 172.84 1r3d s TYR 90 N 0.33 3.17 0.00 1.90 5.04 -0.39 -0.67 117.35 126.73 1r3d s TYR 90 Ca -0.03 -0.13 0.00 0.00 -2.44 0.00 0.00 57.07 54.47 1r3d s TYR 90 Cb -0.06 -2.14 0.00 0.00 0.35 0.00 0.00 41.96 40.12 1r3d s TYR 90 CO -0.01 -0.06 0.00 0.45 -1.34 0.00 0.00 175.55 174.59 1r3d n SER 91 N 4.10 0.00 -0.34 4.32 2.88 0.82 -0.56 113.62 124.83 1r3d n SER 91 Ca -0.16 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.54 1r3d n SER 91 Cb 0.52 0.00 0.38 0.00 -0.75 0.00 0.00 64.21 64.36 1r3d n SER 91 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1r3d h LEU 92 N 0.00 0.68 -0.92 2.46 5.85 -1.85 0.01 115.31 121.54 1r3d h LEU 92 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1r3d h LEU 92 Cb 0.00 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1r3d h LEU 92 CO 0.00 0.20 0.57 1.23 -0.34 0.00 0.00 178.44 180.11 1r3d h GLY 93 N 0.64 1.31 0.99 3.75 0.00 -0.66 0.14 103.07 109.24 1r3d h GLY 93 Ca 0.59 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 1r3d h GLY 93 CO -0.37 0.51 0.30 -1.33 0.00 0.00 0.00 176.54 175.64 1r3d h GLY 94 N 1.25 0.85 1.19 4.60 0.00 -1.00 -1.90 103.07 108.06 1r3d h GLY 94 Ca 0.33 -0.40 -0.12 0.00 0.00 0.00 0.00 47.33 47.15 1r3d h GLY 94 CO -0.07 0.38 -0.17 3.21 0.00 0.00 0.00 176.54 179.89 1r3d h ARG 95 N 0.76 0.94 -0.32 4.80 3.08 -0.32 -2.79 114.38 120.52 1r3d h ARG 95 Ca 0.20 -0.37 0.02 0.00 0.07 0.00 0.00 59.98 59.90 1r3d h ARG 95 Cb 0.07 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1r3d h ARG 95 CO -0.03 1.03 0.18 -0.07 -1.07 0.00 0.00 179.97 180.00 1r3d h LEU 96 N 0.82 0.27 -1.65 3.04 3.38 -0.66 0.79 115.31 121.32 1r3d h LEU 96 Ca 0.12 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1r3d h LEU 96 Cb 0.72 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1r3d h LEU 96 CO 0.06 0.20 0.00 -0.38 0.09 0.00 0.00 178.44 178.41 1r3d n ILE 97 N -4.93 0.07 0.00 1.22 5.41 -0.72 -1.62 119.36 118.80 1r3d n ILE 97 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1r3d n ILE 97 Cb 0.06 -0.38 0.00 0.00 -0.71 0.00 0.00 39.64 38.61 1r3d n ILE 97 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1r3d n HIS 99 N 0.77 0.00 -0.21 1.39 -0.00 0.27 -1.11 115.22 116.32 1r3d n HIS 99 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.70 1r3d n HIS 99 Cb 0.05 0.00 0.09 0.00 -0.00 0.00 0.00 29.99 30.13 1r3d n HIS 99 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 1r3d h GLY 100 N 0.00 0.91 0.96 1.57 0.00 -1.55 -0.59 103.07 104.37 1r3d h GLY 100 Ca 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 1r3d h GLY 100 CO 0.00 0.13 0.12 1.41 0.00 0.00 0.00 176.54 178.20 1r3d h LEU 101 N 0.62 0.71 -1.13 3.11 3.38 -1.38 0.11 115.31 120.72 1r3d h LEU 101 Ca 0.28 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1r3d h LEU 101 Cb 0.19 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1r3d h LEU 101 CO -0.19 0.75 0.21 0.00 0.09 0.00 0.00 178.44 179.30 1r3d h ALA 102 N 0.98 1.31 -0.00 1.53 0.00 -1.75 -2.82 119.26 118.50 1r3d h ALA 102 Ca 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1r3d h ALA 102 Cb 0.31 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1r3d h ALA 102 CO 0.00 0.51 -0.05 1.04 0.00 0.00 0.00 179.25 180.75 1r3d n GLN 103 N -4.32 0.57 -1.59 0.00 6.02 -0.25 -4.94 117.38 112.88 1r3d n GLN 103 Ca 0.05 -0.10 -0.09 0.00 -0.01 0.00 0.00 57.00 56.84 1r3d n GLN 103 Cb 0.17 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.91 1r3d n GLN 103 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1r3d n GLY 104 N 1.27 0.70 0.19 1.08 0.00 -0.55 -4.93 105.19 102.96 1r3d n GLY 104 Ca 0.15 -0.57 0.14 0.00 0.00 0.00 0.00 46.02 45.74 1r3d n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r3d h ALA 105 N 0.16 1.00 -0.34 4.61 0.00 -1.11 -3.09 119.26 120.49 1r3d h ALA 105 Ca -0.20 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1r3d h ALA 105 Cb 0.81 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1r3d h ALA 105 CO 0.27 0.00 0.02 1.19 0.00 0.00 0.00 179.25 180.73 1r3d n PHE 106 N -2.60 1.17 0.31 0.00 3.01 -1.26 -4.76 117.46 113.33 1r3d n PHE 106 Ca 0.02 -1.02 0.20 0.00 1.01 0.00 0.00 57.45 57.66 1r3d n PHE 106 Cb 0.27 -0.39 0.98 0.00 -0.01 0.00 0.00 39.48 40.33 1r3d n PHE 106 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1r3d h SER 107 N 1.87 0.00 -0.28 4.37 4.64 -1.92 -0.95 113.55 121.28 1r3d h SER 107 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1r3d h SER 107 Cb 1.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 1r3d h SER 107 CO 0.31 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 174.16 1r3d n ARG 108 N -2.93 2.34 -3.69 4.77 1.85 -1.26 -4.86 116.66 112.88 1r3d n ARG 108 Ca -0.02 -2.01 -0.33 0.00 -1.00 0.00 0.00 57.85 54.50 1r3d n ARG 108 Cb 0.13 -1.49 -0.05 0.00 -1.05 0.00 0.00 32.46 30.00 1r3d n ARG 108 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1r3d s LEU 109 N -1.60 4.31 -1.43 2.89 1.43 -0.36 -4.83 118.68 119.09 1r3d s LEU 109 Ca 0.36 0.60 -0.13 0.00 -1.03 0.00 0.00 54.13 53.93 1r3d s LEU 109 Cb 0.21 -3.10 0.06 0.00 0.03 0.00 0.00 46.19 43.40 1r3d s LEU 109 CO 0.31 0.12 2.16 -3.20 0.23 0.00 0.00 176.35 175.97 1r3d n ASN 110 N 0.46 4.10 -4.71 2.29 4.05 -1.26 -4.96 115.26 115.23 1r3d n ASN 110 Ca -0.05 -2.89 -0.42 0.00 0.45 0.00 0.00 54.58 51.67 1r3d n ASN 110 Cb 0.52 -1.63 -0.03 0.00 1.23 0.00 0.00 39.78 39.87 1r3d n ASN 110 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1r3d s LEU 111 N 1.85 4.37 -0.00 1.20 1.02 -1.26 -1.25 118.68 124.60 1r3d s LEU 111 Ca 0.46 2.08 0.03 0.00 0.02 0.00 0.00 54.13 56.72 1r3d s LEU 111 Cb 0.13 -3.58 -0.04 0.00 0.02 0.00 0.00 46.19 42.72 1r3d s LEU 111 CO -0.07 -0.50 0.11 0.54 0.02 0.00 0.00 176.35 176.45 1r3d n ARG 112 N 3.89 3.67 -3.60 1.70 5.12 0.60 -4.86 116.66 123.18 1r3d n ARG 112 Ca 0.09 -0.01 -0.03 0.00 -1.93 0.00 0.00 57.85 55.97 1r3d n ARG 112 Cb 0.46 -0.82 -0.02 0.00 -1.16 0.00 0.00 32.46 30.92 1r3d n ARG 112 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1r3d s GLY 113 N -1.72 -0.33 -0.00 -0.13 0.00 -1.19 -4.44 107.32 99.51 1r3d s GLY 113 Ca 0.00 1.33 0.00 0.00 0.00 0.00 0.00 44.72 46.06 1r3d s GLY 113 CO 0.13 0.42 -0.01 0.00 0.00 0.00 0.00 173.10 173.64 1r3d s ALA 114 N -2.48 0.14 -0.16 3.20 0.00 -0.54 -1.65 121.76 120.27 1r3d s ALA 114 Ca 0.10 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.03 1r3d s ALA 114 Cb 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.09 1r3d s ALA 114 CO -0.05 0.02 -0.19 0.42 0.00 0.00 0.00 175.76 175.97 1r3d s ILE 115 N 0.04 1.94 -0.21 0.00 1.01 0.31 -0.56 121.20 123.73 1r3d s ILE 115 Ca -0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 60.65 59.76 1r3d s ILE 115 Cb -0.02 -1.75 0.01 0.00 0.01 0.00 0.00 42.46 40.72 1r3d s ILE 115 CO -0.00 0.52 -0.12 -0.63 0.00 0.00 0.00 174.94 174.71 1r3d s ILE 116 N 1.17 2.66 -0.48 2.92 -1.09 0.10 -1.35 121.20 125.13 1r3d s ILE 116 Ca 0.01 -0.85 -0.09 0.00 -2.23 0.00 0.00 60.65 57.49 1r3d s ILE 116 Cb -0.14 -2.23 0.12 0.00 -1.58 0.00 0.00 42.46 38.64 1r3d s ILE 116 CO -0.09 0.40 0.36 -0.70 -1.23 0.00 0.00 174.94 173.68 1r3d s GLU 117 N 1.35 2.49 -1.00 2.79 2.12 0.16 -0.26 118.70 126.35 1r3d s GLU 117 Ca 0.04 -1.81 0.00 0.00 0.36 0.00 0.00 54.97 53.56 1r3d s GLU 117 Cb -0.14 -3.93 0.00 0.00 0.26 0.00 0.00 34.13 30.32 1r3d s GLU 117 CO -0.08 -1.20 0.00 0.41 -0.54 0.00 0.00 175.26 173.86 1r3d n GLY 118 N 4.83 0.18 3.75 -1.50 0.00 -0.94 -0.13 105.19 111.39 1r3d n GLY 118 Ca -0.07 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 1r3d n GLY 118 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r3d s GLY 119 N -2.58 2.91 -0.02 -0.02 0.00 -1.26 -3.93 107.32 102.41 1r3d s GLY 119 Ca 0.00 0.40 -0.22 0.00 0.00 0.00 0.00 44.72 44.90 1r3d s GLY 119 CO 0.00 1.12 0.64 -1.58 0.00 0.00 0.00 173.10 173.28 1r3d s HIS 120 N -0.45 3.65 -0.23 1.90 2.46 -1.26 -4.92 115.29 116.44 1r3d s HIS 120 Ca 0.40 1.23 0.29 0.00 0.47 0.00 0.00 55.06 57.44 1r3d s HIS 120 Cb -0.22 -2.69 1.06 0.00 -0.13 0.00 0.00 32.58 30.59 1r3d s HIS 120 CO 0.26 0.25 1.83 0.74 -2.47 0.00 0.00 174.74 175.35 1r3d h PHE 121 N 6.05 0.00 0.00 3.88 -1.00 -1.97 -3.45 116.94 120.45 1r3d h PHE 121 Ca -0.43 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.35 1r3d h PHE 121 Cb 1.20 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.76 1r3d h PHE 121 CO 0.65 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.76 1r3d n GLY 122 N 0.30 3.33 3.88 -1.45 0.00 -1.26 -0.65 105.19 109.34 1r3d n GLY 122 Ca 0.02 -1.93 -0.32 0.00 0.00 0.00 0.00 46.02 43.79 1r3d n GLY 122 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r3d s LEU 123 N 0.00 4.20 -0.01 0.99 1.43 -1.26 -4.90 118.68 119.12 1r3d s LEU 123 Ca 0.00 0.83 0.18 0.00 -1.03 0.00 0.00 54.13 54.10 1r3d s LEU 123 Cb 0.00 -3.57 -0.23 0.00 0.03 0.00 0.00 46.19 42.42 1r3d s LEU 123 CO 0.00 -0.03 0.56 0.00 0.23 0.00 0.00 176.35 177.11 1r3d n GLN 124 N -0.05 0.90 -4.82 1.70 6.02 -1.26 -4.56 117.38 115.30 1r3d n GLN 124 Ca -0.00 -0.08 -0.26 0.00 -0.01 0.00 0.00 57.00 56.64 1r3d n GLN 124 Cb 0.52 -1.37 -0.16 0.00 1.02 0.00 0.00 30.24 30.25 1r3d n GLN 124 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1r3d s GLU 125 N -2.95 1.87 0.53 -1.09 1.03 -1.26 -5.03 118.70 111.80 1r3d s GLU 125 Ca -0.00 -0.60 0.25 0.00 0.03 0.00 0.00 54.97 54.65 1r3d s GLU 125 Cb 0.12 -1.58 1.40 0.00 -0.80 0.00 0.00 34.13 33.27 1r3d s GLU 125 CO 0.73 0.20 2.00 -0.91 -1.33 0.00 0.00 175.26 175.95 1r3d h ASN 126 N 6.40 0.00 -0.51 0.83 -0.26 -1.99 -0.54 115.58 119.51 1r3d h ASN 126 Ca -0.31 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.41 1r3d h ASN 126 Cb 1.18 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.42 1r3d h ASN 126 CO 0.48 0.00 0.25 -0.33 -1.06 0.00 0.00 177.43 176.77 1r3d h GLU 127 N 0.00 0.74 -0.15 0.81 3.07 -1.99 -1.08 114.58 115.98 1r3d h GLU 127 Ca 0.25 -0.11 -0.20 0.00 -0.50 0.00 0.00 59.36 58.79 1r3d h GLU 127 Cb 0.99 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 1r3d h GLU 127 CO -0.00 0.61 -0.73 0.93 -1.40 0.00 0.00 179.01 178.42 1r3d h GLU 128 N 0.68 0.67 -0.61 2.33 5.08 -1.55 -2.55 114.58 118.64 1r3d h GLU 128 Ca 0.18 -0.53 0.01 0.00 -1.00 0.00 0.00 59.36 58.02 1r3d h GLU 128 Cb 0.12 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1r3d h GLU 128 CO -0.02 1.15 0.40 0.87 -1.00 0.00 0.00 179.01 180.40 1r3d h LYS 129 N 0.47 0.78 -0.38 2.33 1.57 -1.28 0.97 116.57 121.04 1r3d h LYS 129 Ca -0.04 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1r3d h LYS 129 Cb 1.34 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 1r3d h LYS 129 CO 0.14 0.52 0.23 0.00 -0.57 0.00 0.00 179.45 179.77 1r3d h ALA 130 N 1.24 0.48 -0.73 3.86 0.00 -1.22 -0.61 119.26 122.28 1r3d h ALA 130 Ca 0.23 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1r3d h ALA 130 Cb -0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1r3d h ALA 130 CO -0.07 -0.02 0.40 0.00 0.00 0.00 0.00 179.25 179.56 1r3d h ALA 131 N 1.09 0.94 -0.71 0.00 0.00 -1.02 -2.62 119.26 116.95 1r3d h ALA 131 Ca 0.14 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1r3d h ALA 131 Cb 0.01 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1r3d h ALA 131 CO -0.02 0.46 0.20 -0.09 0.00 0.00 0.00 179.25 179.80 1r3d h ARG 132 N 1.01 1.11 -0.64 0.00 9.65 -0.46 -1.91 114.38 123.14 1r3d h ARG 132 Ca 0.26 -0.24 -0.02 0.00 -1.10 0.00 0.00 59.98 58.87 1r3d h ARG 132 Cb 0.04 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.44 1r3d h ARG 132 CO -0.04 0.95 0.30 2.35 2.80 0.00 0.00 179.97 186.33 1r3d h TRP 133 N 1.06 0.92 -0.07 2.20 -0.00 -0.89 0.62 115.95 119.79 1r3d h TRP 133 Ca 0.23 -0.05 0.01 0.00 -0.00 0.00 0.00 58.89 59.08 1r3d h TRP 133 Cb 0.32 -0.28 -0.01 0.00 -0.00 0.00 0.00 29.16 29.19 1r3d h TRP 133 CO 0.03 0.70 0.03 1.96 -0.00 0.00 0.00 178.44 181.15 1r3d h GLN 134 N 0.88 0.07 -0.01 2.65 4.20 -1.27 0.20 115.11 121.83 1r3d h GLN 134 Ca 0.22 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.95 1r3d h GLN 134 Cb 0.13 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.85 1r3d h GLN 134 CO -0.03 0.05 -0.22 1.25 -0.67 0.00 0.00 178.83 179.21 1r3d h HIS 135 N 0.07 -0.58 -0.85 2.96 2.76 -1.13 -0.12 115.15 118.27 1r3d h HIS 135 Ca 0.03 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.20 1r3d h HIS 135 Cb 0.01 0.26 -0.04 0.00 1.55 0.00 0.00 27.41 29.19 1r3d h HIS 135 CO -0.09 -0.30 0.45 -0.44 -1.30 0.00 0.00 177.93 176.24 1r3d h ASP 136 N -0.34 1.07 -0.58 3.26 3.32 -0.76 -1.78 116.42 120.61 1r3d h ASP 136 Ca 0.06 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1r3d h ASP 136 Cb 0.43 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 1r3d h ASP 136 CO -0.21 0.87 0.35 1.56 -1.72 0.00 0.00 179.24 180.10 1r3d h GLN 137 N 1.19 0.79 -0.45 3.56 4.20 -0.74 0.72 115.11 124.38 1r3d h GLN 137 Ca 0.30 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.94 1r3d h GLN 137 Cb 0.05 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1r3d h GLN 137 CO -0.05 0.57 0.29 1.96 -0.67 0.00 0.00 178.83 180.93 1r3d h GLN 138 N 0.79 0.59 -0.50 1.46 4.20 -0.75 -0.32 115.11 120.58 1r3d h GLN 138 Ca 0.21 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 1r3d h GLN 138 Cb -0.02 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 1r3d h GLN 138 CO -0.04 0.40 0.30 -1.49 -0.67 0.00 0.00 178.83 177.32 1r3d h TRP 139 N 0.61 0.66 -0.71 2.96 4.06 -1.16 -2.59 115.95 119.77 1r3d h TRP 139 Ca 0.16 -0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.11 1r3d h TRP 139 Cb -0.06 -0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 27.85 1r3d h TRP 139 CO -0.04 0.46 0.44 0.00 -3.56 0.00 0.00 178.44 175.73 1r3d h ALA 140 N 1.14 0.91 -0.88 1.49 0.00 -0.49 0.42 119.26 121.86 1r3d h ALA 140 Ca 0.18 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1r3d h ALA 140 Cb -0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 1r3d h ALA 140 CO -0.03 0.37 0.48 1.96 0.00 0.00 0.00 179.25 182.03 1r3d h GLN 141 N 0.97 1.22 -0.10 0.00 4.20 -1.05 0.47 115.11 120.83 1r3d h GLN 141 Ca 0.26 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1r3d h GLN 141 Cb -0.05 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.49 1r3d h GLN 141 CO -0.05 0.90 0.05 0.00 -0.67 0.00 0.00 178.83 179.05 1r3d h ARG 142 N 1.23 0.15 -0.73 1.46 3.08 -0.87 -2.17 114.38 116.54 1r3d h ARG 142 Ca 0.31 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.34 1r3d h ARG 142 Cb 0.03 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 1r3d h ARG 142 CO -0.05 0.25 0.47 0.74 -1.07 0.00 0.00 179.97 180.31 1r3d h PHE 143 N 0.03 0.92 -0.23 3.04 -1.00 -0.68 -0.52 116.94 118.48 1r3d h PHE 143 Ca 0.04 0.02 0.03 0.00 2.81 0.00 0.00 57.97 60.87 1r3d h PHE 143 Cb 0.15 -0.31 -0.03 0.00 3.61 0.00 0.00 35.95 39.37 1r3d h PHE 143 CO -0.02 0.58 0.03 0.77 -1.61 0.00 0.00 178.31 178.06 1r3d h SER 144 N 0.99 -0.02 0.00 2.17 0.02 -0.69 -3.34 113.55 112.68 1r3d h SER 144 Ca 0.26 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1r3d h SER 144 Cb -0.10 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1r3d h SER 144 CO -0.06 0.02 -0.30 0.00 -1.14 0.00 0.00 176.83 175.35 1r3d n GLN 145 N -5.10 4.11 -3.84 3.45 10.64 -0.84 -4.67 117.38 121.13 1r3d n GLN 145 Ca -0.02 0.00 -0.21 0.00 -1.83 0.00 0.00 57.00 54.94 1r3d n GLN 145 Cb 0.11 -0.60 -0.02 0.00 -0.86 0.00 0.00 30.24 28.87 1r3d n GLN 145 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1r3d s GLN 146 N -1.14 3.41 0.15 2.61 -0.21 -0.22 -5.04 119.66 119.22 1r3d s GLN 146 Ca 0.00 -0.73 -0.33 0.00 0.02 0.00 0.00 55.36 54.32 1r3d s GLN 146 Cb 0.00 -2.85 -0.13 0.00 1.00 0.00 0.00 33.01 31.03 1r3d s GLN 146 CO 0.00 0.35 1.69 -2.30 -2.12 0.00 0.00 175.29 172.91 1r3d n PRO 147 N -1.48 2.44 -0.17 2.91 -0.02 -1.26 -4.79 135.00 132.62 1r3d n PRO 147 Ca -0.08 0.88 0.03 0.00 -2.02 0.00 0.00 63.50 62.32 1r3d n PRO 147 Cb 0.57 -2.70 0.31 0.00 -0.02 0.00 0.00 33.50 31.66 1r3d n PRO 147 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1r3d h ILE 148 N 3.99 1.12 -0.43 4.25 2.10 -1.91 -1.58 117.51 125.06 1r3d h ILE 148 Ca -0.45 -0.29 -0.05 0.00 1.08 0.00 0.00 64.86 65.15 1r3d h ILE 148 Cb 1.24 0.19 -0.02 0.00 -1.09 0.00 0.00 36.82 37.13 1r3d h ILE 148 CO 0.92 0.16 0.05 1.05 -1.08 0.00 0.00 178.15 179.25 1r3d h GLU 149 N 0.86 0.67 -0.26 2.19 9.09 -1.92 0.11 114.58 125.31 1r3d h GLU 149 Ca 0.27 -0.14 -0.01 0.00 0.05 0.00 0.00 59.36 59.53 1r3d h GLU 149 Cb 0.01 -0.10 -0.01 0.00 -1.65 0.00 0.00 28.75 27.00 1r3d h GLU 149 CO -0.07 0.65 0.15 0.45 0.05 0.00 0.00 179.01 180.23 1r3d h HIS 150 N 0.64 0.36 -0.47 2.06 3.86 -1.68 -0.79 115.15 119.14 1r3d h HIS 150 Ca 0.14 -0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.26 1r3d h HIS 150 Cb 0.32 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.66 1r3d h HIS 150 CO 0.01 0.31 -0.04 0.28 0.86 0.00 0.00 177.93 179.35 1r3d h VAL 151 N 0.31 1.27 -0.34 2.45 2.07 -1.04 -3.01 116.25 117.96 1r3d h VAL 151 Ca 0.09 -1.12 -0.07 0.00 0.82 0.00 0.00 66.70 66.42 1r3d h VAL 151 Cb 0.06 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1r3d h VAL 151 CO -0.02 0.39 -0.09 -0.07 0.02 0.00 0.00 177.57 177.80 1r3d h LEU 152 N 0.69 0.56 -1.17 2.57 3.38 -0.70 0.76 115.31 121.40 1r3d h LEU 152 Ca 0.13 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1r3d h LEU 152 Cb 0.56 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 1r3d h LEU 152 CO 0.03 0.69 0.57 -1.28 0.09 0.00 0.00 178.44 178.54 1r3d h SER 153 N 0.54 0.94 0.47 -0.43 0.87 -1.01 -1.12 113.55 113.81 1r3d h SER 153 Ca 0.10 -0.01 -0.26 0.00 -1.23 0.00 0.00 61.79 60.39 1r3d h SER 153 Cb 0.48 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1r3d h SER 153 CO 0.03 0.65 -1.15 0.44 -0.53 0.00 0.00 176.83 176.27 1r3d h ASP 154 N 1.09 0.52 -0.74 6.23 3.32 -1.26 -3.26 116.42 122.33 1r3d h ASP 154 Ca 0.34 -0.49 0.05 0.00 0.02 0.00 0.00 57.03 56.95 1r3d h ASP 154 Cb -0.01 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.33 1r3d h ASP 154 CO -0.10 1.34 0.44 -0.25 -1.72 0.00 0.00 179.24 178.96 1r3d h TRP 155 N 0.15 0.81 -0.00 4.55 2.91 -0.51 -1.29 115.95 122.56 1r3d h TRP 155 Ca -0.13 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.92 1r3d h TRP 155 Cb 1.84 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 30.23 1r3d h TRP 155 CO 0.07 0.41 0.00 0.66 -1.03 0.00 0.00 178.44 178.55 1r3d n TYR 156 N -4.70 0.00 1.48 2.65 4.02 -0.46 -2.13 117.16 118.03 1r3d n TYR 156 Ca 0.09 -0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.12 1r3d n TYR 156 Cb 0.15 0.00 0.52 0.00 -0.02 0.00 0.00 39.34 39.99 1r3d n TYR 156 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1r3d n GLN 157 N -0.86 1.65 -1.53 -0.72 1.13 -0.49 -4.80 117.38 111.77 1r3d n GLN 157 Ca 0.20 -0.95 -0.34 0.00 -1.94 0.00 0.00 57.00 53.97 1r3d n GLN 157 Cb 0.11 -1.47 0.08 0.00 0.11 0.00 0.00 30.24 29.07 1r3d n GLN 157 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1r3d s GLN 158 N -1.98 2.33 0.35 -1.09 -0.21 -0.91 -4.91 119.66 113.25 1r3d s GLN 158 Ca 0.38 1.64 0.05 0.00 0.02 0.00 0.00 55.36 57.44 1r3d s GLN 158 Cb 0.21 -1.87 0.69 0.00 1.00 0.00 0.00 33.01 33.03 1r3d s GLN 158 CO 0.33 -1.66 1.94 0.00 -2.12 0.00 0.00 175.29 173.78 1r3d h ALA 159 N -0.21 1.66 -0.06 6.09 0.00 -1.93 -1.47 119.26 123.33 1r3d h ALA 159 Ca -0.47 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.43 1r3d h ALA 159 Cb 1.28 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1r3d h ALA 159 CO 0.51 0.22 0.10 -0.39 0.00 0.00 0.00 179.25 179.69 1r3d h VAL 160 N 0.82 0.32 -0.60 0.00 -1.51 -1.94 -0.33 116.25 113.01 1r3d h VAL 160 Ca 0.34 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.81 1r3d h VAL 160 Cb 0.26 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.33 1r3d h VAL 160 CO -0.12 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.71 1r3d n PHE 161 N -3.54 1.88 0.11 5.19 3.01 -0.55 -2.36 117.46 121.19 1r3d n PHE 161 Ca -0.01 -0.68 0.16 0.00 1.01 0.00 0.00 57.45 57.92 1r3d n PHE 161 Cb 0.19 -0.42 0.68 0.00 -0.01 0.00 0.00 39.48 39.92 1r3d n PHE 161 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1r3d h SER 162 N 4.03 0.00 0.58 4.37 4.64 -1.13 -1.71 113.55 124.33 1r3d h SER 162 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1r3d h SER 162 Cb 1.80 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.89 1r3d h SER 162 CO 0.40 0.00 -0.09 0.77 -0.87 0.00 0.00 176.83 177.05 1r3d h SER 163 N 0.00 0.00 -3.89 4.97 4.64 -1.82 -3.45 113.55 114.01 1r3d h SER 163 Ca 0.15 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.99 1r3d h SER 163 Cb 0.61 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1r3d h SER 163 CO -0.00 0.09 0.38 -0.76 -0.87 0.00 0.00 176.83 175.67 1r3d s LEU 164 N -6.71 4.34 0.69 5.97 1.43 -0.65 -4.96 118.68 118.79 1r3d s LEU 164 Ca -0.02 1.96 -0.01 0.00 -1.03 0.00 0.00 54.13 55.03 1r3d s LEU 164 Cb 0.11 -3.98 0.10 0.00 0.03 0.00 0.00 46.19 42.46 1r3d s LEU 164 CO 0.55 -0.18 0.95 0.54 0.23 0.00 0.00 176.35 178.45 1r3d s ASN 165 N -1.47 4.55 0.18 2.29 2.20 -1.26 -4.90 114.94 116.54 1r3d s ASN 165 Ca 0.51 -0.22 -0.13 0.00 -0.94 0.00 0.00 52.86 52.08 1r3d s ASN 165 Cb -0.22 -0.28 0.13 0.00 -2.00 0.00 0.00 41.25 38.88 1r3d s ASN 165 CO 0.28 -1.71 1.82 -0.74 -2.94 0.00 0.00 177.10 173.81 1r3d h HIS 166 N -0.42 0.61 -0.63 1.54 -0.00 -1.99 -1.49 115.15 112.77 1r3d h HIS 166 Ca -0.38 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 59.98 1r3d h HIS 166 Cb 1.28 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 28.46 1r3d h HIS 166 CO -0.06 0.34 0.30 0.93 -0.00 0.00 0.00 177.93 179.44 1r3d h GLU 167 N 0.65 0.92 -0.66 5.26 3.07 -1.99 -0.01 114.58 121.83 1r3d h GLU 167 Ca 0.23 -0.14 -0.03 0.00 -0.50 0.00 0.00 59.36 58.91 1r3d h GLU 167 Cb 0.05 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 27.76 1r3d h GLU 167 CO -0.11 0.74 0.28 1.96 -1.40 0.00 0.00 179.01 180.48 1r3d h GLN 168 N 0.88 0.97 -0.67 2.33 4.20 -1.78 -1.87 115.11 119.17 1r3d h GLN 168 Ca 0.22 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 1r3d h GLN 168 Cb 0.13 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 1r3d h GLN 168 CO -0.03 0.80 0.16 0.00 -0.67 0.00 0.00 178.83 179.09 1r3d h ARG 169 N 0.92 1.07 -0.56 1.46 3.08 -0.94 -2.25 114.38 117.15 1r3d h ARG 169 Ca 0.22 -0.26 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 1r3d h ARG 169 Cb 0.18 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1r3d h ARG 169 CO -0.02 0.96 -0.05 1.96 -1.07 0.00 0.00 179.97 181.74 1r3d h GLN 170 N 1.00 1.03 -0.60 0.04 1.08 -0.85 0.59 115.11 117.40 1r3d h GLN 170 Ca 0.21 -0.36 0.05 0.00 -1.45 0.00 0.00 58.65 57.10 1r3d h GLN 170 Cb 0.37 -0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.68 1r3d h GLN 170 CO 0.00 1.05 0.34 1.15 -0.95 0.00 0.00 178.83 180.42 1r3d h THR 171 N 0.92 1.00 -0.29 -0.54 2.02 -1.23 -1.91 112.91 112.87 1r3d h THR 171 Ca 0.15 -0.22 -0.14 0.00 0.77 0.00 0.00 66.41 66.97 1r3d h THR 171 Cb 0.62 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1r3d h THR 171 CO 0.04 0.12 -0.36 -0.07 0.37 0.00 0.00 175.52 175.62 1r3d h LEU 172 N 0.65 0.82 -0.57 2.58 3.38 -0.99 -0.96 115.31 120.22 1r3d h LEU 172 Ca 0.26 -0.49 0.07 0.00 0.09 0.00 0.00 57.88 57.81 1r3d h LEU 172 Cb 0.12 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 1r3d h LEU 172 CO -0.15 1.15 0.24 0.40 0.09 0.00 0.00 178.44 180.17 1r3d h ILE 173 N 0.51 0.84 -0.16 1.22 2.04 -0.73 0.83 117.51 122.06 1r3d h ILE 173 Ca 0.04 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1r3d h ILE 173 Cb 0.95 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1r3d h ILE 173 CO 0.09 0.08 0.02 0.00 0.00 0.00 0.00 178.15 178.34 1r3d h ALA 174 N 1.36 0.21 -0.78 1.87 0.00 -1.18 -1.66 119.26 119.08 1r3d h ALA 174 Ca 0.27 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1r3d h ALA 174 Cb 0.28 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1r3d h ALA 174 CO -0.25 -0.12 0.31 1.96 0.00 0.00 0.00 179.25 181.15 1r3d h GLN 175 N 0.04 1.16 0.00 0.00 4.20 -0.87 -2.87 115.11 116.77 1r3d h GLN 175 Ca 0.05 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.55 1r3d h GLN 175 Cb 0.31 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1r3d h GLN 175 CO 0.00 0.94 -0.03 0.54 -0.67 0.00 0.00 178.83 179.62 1r3d n ARG 176 N -4.30 0.04 0.00 1.46 3.00 0.26 -3.50 116.66 113.62 1r3d n ARG 176 Ca 0.07 0.04 0.07 0.00 -0.01 0.00 0.00 57.85 58.02 1r3d n ARG 176 Cb 0.18 -1.55 0.38 0.00 0.00 0.00 0.00 32.46 31.47 1r3d n ARG 176 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1r3d n SER 177 N -1.63 0.00 0.15 0.55 3.41 -0.64 -1.89 113.62 113.57 1r3d n SER 177 Ca 0.07 0.13 0.13 0.00 -0.26 0.00 0.00 58.87 58.93 1r3d n SER 177 Cb 0.36 -0.32 0.38 0.00 -0.26 0.00 0.00 64.21 64.37 1r3d n SER 177 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r3d h ALA 178 N 2.69 1.00 -2.90 7.33 0.00 -1.75 -3.46 119.26 122.17 1r3d h ALA 178 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1r3d h ALA 178 Cb 0.16 0.00 0.16 0.00 0.00 0.00 0.00 17.79 18.11 1r3d h ALA 178 CO 0.00 0.00 0.46 -0.80 0.00 0.00 0.00 179.25 178.91 1r3d s ASN 179 N -4.95 4.41 -0.40 0.00 0.01 -0.79 -4.97 114.94 108.25 1r3d s ASN 179 Ca 0.08 2.50 -0.23 0.00 -0.71 0.00 0.00 52.86 54.50 1r3d s ASN 179 Cb 0.10 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.17 1r3d s ASN 179 CO 0.58 -2.13 0.79 -0.22 -1.51 0.00 0.00 177.10 174.61 1r3d s LEU 180 N -4.73 4.16 0.21 0.60 2.96 -1.26 -4.96 118.68 115.66 1r3d s LEU 180 Ca 0.79 0.19 -0.13 0.00 -0.22 0.00 0.00 54.13 54.76 1r3d s LEU 180 Cb -0.33 -3.01 0.24 0.00 0.50 0.00 0.00 46.19 43.58 1r3d s LEU 180 CO 0.42 -0.81 1.64 1.23 -1.32 0.00 0.00 176.35 177.51 1r3d h GLY 181 N 9.91 0.50 1.47 7.98 0.00 -1.94 -1.89 103.07 119.10 1r3d h GLY 181 Ca -0.25 0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 1r3d h GLY 181 CO 0.93 -0.22 0.18 1.48 0.00 0.00 0.00 176.54 178.91 1r3d h SER 182 N 0.03 0.62 -0.35 0.19 4.64 -1.83 -1.20 113.55 115.65 1r3d h SER 182 Ca 0.30 -0.07 -0.14 0.00 -0.47 0.00 0.00 61.79 61.40 1r3d h SER 182 Cb 0.47 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1r3d h SER 182 CO -0.59 0.57 -0.35 0.28 -0.87 0.00 0.00 176.83 175.87 1r3d h SER 183 N 0.68 0.91 0.05 4.97 0.02 -1.68 -2.15 113.55 116.34 1r3d h SER 183 Ca 0.16 -0.47 0.01 0.00 -0.84 0.00 0.00 61.79 60.66 1r3d h SER 183 Cb 0.16 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1r3d h SER 183 CO -0.01 1.19 -0.12 0.58 -1.14 0.00 0.00 176.83 177.33 1r3d h VAL 184 N 0.65 0.71 -0.55 2.27 2.07 -1.06 -3.05 116.25 117.29 1r3d h VAL 184 Ca 0.06 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.65 1r3d h VAL 184 Cb 0.93 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 1r3d h VAL 184 CO 0.09 0.00 0.22 0.00 0.02 0.00 0.00 177.57 177.89 1r3d h ALA 185 N 0.70 0.69 0.00 1.67 0.00 -1.14 0.03 119.26 121.21 1r3d h ALA 185 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1r3d h ALA 185 Cb 0.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1r3d h ALA 185 CO -0.09 -0.17 0.00 0.72 0.00 0.00 0.00 179.25 179.71 1r3d n HIS 186 N -4.97 0.00 0.00 0.00 8.25 -0.82 -1.80 115.22 115.88 1r3d n HIS 186 Ca 0.06 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1r3d n HIS 186 Cb 0.21 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1r3d n HIS 186 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1r3d n LEU 188 N 0.60 0.00 -0.08 2.41 0.00 -0.00 -0.65 117.00 119.28 1r3d n LEU 188 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 56.01 55.89 1r3d n LEU 188 Cb 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.39 1r3d n LEU 188 CO 0.00 0.00 0.72 -0.07 0.00 0.00 0.00 177.39 178.04 1r3d h LEU 189 N 0.00 0.45 -1.92 -1.96 3.38 -1.62 0.81 115.31 114.46 1r3d h LEU 189 Ca 0.00 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.65 1r3d h LEU 189 Cb 0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1r3d h LEU 189 CO 0.00 0.70 0.13 0.00 0.09 0.00 0.00 178.44 179.36 1r3d h ALA 190 N 0.77 2.04 -0.04 1.53 0.00 -1.14 -2.13 119.26 120.28 1r3d h ALA 190 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1r3d h ALA 190 Cb 0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1r3d h ALA 190 CO 0.02 -0.07 -0.14 0.25 0.00 0.00 0.00 179.25 179.30 1r3d n THR 191 N -4.50 2.05 -1.54 0.00 -2.24 -1.17 -5.05 114.28 101.82 1r3d n THR 191 Ca 0.01 -2.54 -0.50 0.00 -2.27 0.00 0.00 64.05 58.75 1r3d n THR 191 Cb 0.19 -0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.13 1r3d n THR 191 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1r3d n SER 192 N -1.26 0.82 -0.14 3.42 2.88 0.27 -4.84 113.62 114.76 1r3d n SER 192 Ca 0.18 1.14 0.24 0.00 -1.33 0.00 0.00 58.87 59.10 1r3d n SER 192 Cb 0.70 -1.14 0.66 0.00 -0.75 0.00 0.00 64.21 63.68 1r3d n SER 192 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1r3d h LEU 193 N 3.01 0.10 -2.09 2.46 6.46 -1.92 -1.70 115.31 121.62 1r3d h LEU 193 Ca -0.42 0.01 0.06 0.00 -0.12 0.00 0.00 57.88 57.40 1r3d h LEU 193 Cb 1.37 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 41.28 1r3d h LEU 193 CO 0.68 0.04 0.16 0.00 -0.62 0.00 0.00 178.44 178.69 1r3d h ALA 194 N 1.62 2.06 -0.02 1.25 0.00 -1.88 -1.42 119.26 120.88 1r3d h ALA 194 Ca 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1r3d h ALA 194 Cb 1.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1r3d h ALA 194 CO -0.04 -0.26 -0.11 1.63 0.00 0.00 0.00 179.25 180.47 1r3d n LYS 195 N -4.27 1.51 -2.92 0.00 5.02 -0.64 -4.85 118.16 112.02 1r3d n LYS 195 Ca 0.02 -1.00 -0.41 0.00 -2.02 0.00 0.00 58.31 54.90 1r3d n LYS 195 Cb 0.29 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.78 1r3d n LYS 195 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1r3d s GLN 196 N -2.18 4.34 0.63 1.97 0.74 -0.53 -5.03 119.66 119.59 1r3d s GLN 196 Ca 0.31 1.00 -0.18 0.00 0.05 0.00 0.00 55.36 56.53 1r3d s GLN 196 Cb 0.20 -3.54 -0.02 0.00 1.10 0.00 0.00 33.01 30.75 1r3d s GLN 196 CO 0.40 -0.22 1.27 -1.25 -0.55 0.00 0.00 175.29 174.94 1r3d s PRO 197 N 1.78 2.70 -0.05 1.67 0.04 -1.26 -4.48 135.00 135.40 1r3d s PRO 197 Ca 0.39 2.01 -0.30 0.00 0.04 0.00 0.00 61.00 63.13 1r3d s PRO 197 Cb -0.17 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 1r3d s PRO 197 CO 0.15 -1.47 1.50 -0.47 0.04 0.00 0.00 177.00 176.75 1r3d s TYR 198 N -1.44 2.44 -0.52 0.56 5.04 -1.26 -4.65 117.35 117.51 1r3d s TYR 198 Ca 0.81 0.55 0.22 0.00 -2.44 0.00 0.00 57.07 56.21 1r3d s TYR 198 Cb -0.36 -3.76 -0.21 0.00 0.35 0.00 0.00 41.96 37.98 1r3d s TYR 198 CO 0.38 -3.01 0.76 1.28 -1.34 0.00 0.00 175.55 173.63 1r3d n LEU 199 N 6.38 0.52 -0.26 6.97 4.77 0.18 -4.67 117.00 130.90 1r3d n LEU 199 Ca 0.15 -0.19 -0.06 0.00 -0.03 0.00 0.00 56.01 55.88 1r3d n LEU 199 Cb 0.43 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.55 1r3d n LEU 199 CO 0.60 0.10 1.03 0.25 -1.33 0.00 0.00 177.39 178.04 1r3d h LEU 200 N 0.00 1.00 -0.46 2.23 5.85 -1.91 -1.92 115.31 120.09 1r3d h LEU 200 Ca 0.00 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1r3d h LEU 200 Cb 0.75 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1r3d h LEU 200 CO 0.00 0.90 0.29 -0.65 -0.34 0.00 0.00 178.44 178.64 1r3d h PRO 201 N 1.04 0.62 -0.78 5.25 0.11 -1.98 0.12 132.00 136.38 1r3d h PRO 201 Ca 0.24 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1r3d h PRO 201 Cb 0.21 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.14 1r3d h PRO 201 CO -0.02 0.43 0.51 0.00 -0.21 0.00 0.00 178.00 178.70 1r3d h ALA 202 N 1.15 0.99 -0.22 -0.75 0.00 -1.76 -2.70 119.26 115.97 1r3d h ALA 202 Ca 0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1r3d h ALA 202 Cb -0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1r3d h ALA 202 CO -0.03 0.42 0.05 -0.07 0.00 0.00 0.00 179.25 179.61 1r3d h LEU 203 N 1.06 0.33 -2.13 0.00 3.38 -1.11 -2.74 115.31 114.11 1r3d h LEU 203 Ca 0.28 -0.24 0.08 0.00 0.09 0.00 0.00 57.88 58.09 1r3d h LEU 203 Cb -0.10 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1r3d h LEU 203 CO -0.06 0.49 0.29 1.56 0.09 0.00 0.00 178.44 180.81 1r3d h GLN 204 N 0.16 0.00 0.00 1.13 4.20 -0.78 -2.08 115.11 117.74 1r3d h GLN 204 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1r3d h GLN 204 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1r3d h GLN 204 CO 0.00 0.00 -0.53 0.00 -0.67 0.00 0.00 178.83 177.63 1r3d n ALA 205 N -2.35 3.43 -1.77 3.87 0.00 -1.04 -4.90 120.51 117.76 1r3d n ALA 205 Ca 0.04 -0.33 -0.38 0.00 0.00 0.00 0.00 53.44 52.76 1r3d n ALA 205 Cb 0.44 -1.13 -0.04 0.00 0.00 0.00 0.00 19.45 18.72 1r3d n ALA 205 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1r3d s LEU 206 N -3.21 4.33 0.34 0.00 1.43 -0.78 -4.94 118.68 115.84 1r3d s LEU 206 Ca 0.10 2.12 0.17 0.00 -1.03 0.00 0.00 54.13 55.49 1r3d s LEU 206 Cb 0.17 -3.94 0.49 0.00 0.03 0.00 0.00 46.19 42.94 1r3d s LEU 206 CO 0.70 -0.32 1.65 0.11 0.23 0.00 0.00 176.35 178.72 1r3d h LYS 207 N 3.10 0.00 -6.35 1.70 1.57 -1.90 -3.45 116.57 111.24 1r3d h LYS 207 Ca -0.47 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.66 1r3d h LYS 207 Cb 1.21 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.57 1r3d h LYS 207 CO 0.64 0.45 0.63 -0.11 -0.57 0.00 0.00 179.45 180.50 1r3d n LEU 208 N -3.48 2.29 -4.68 2.94 7.94 -1.26 -4.93 117.00 115.82 1r3d n LEU 208 Ca 0.00 1.10 -0.42 0.00 -1.11 0.00 0.00 56.01 55.58 1r3d n LEU 208 Cb 0.58 -1.28 -0.03 0.00 0.53 0.00 0.00 43.42 43.22 1r3d n LEU 208 CO 0.38 -0.69 1.31 -2.16 -1.11 0.00 0.00 177.39 175.12 1r3d s PRO 209 N 0.99 4.21 -0.14 1.96 0.04 -1.26 -4.95 135.00 135.85 1r3d s PRO 209 Ca 0.84 2.25 0.01 0.00 0.04 0.00 0.00 61.00 64.14 1r3d s PRO 209 Cb -0.85 -3.67 0.02 0.00 0.04 0.00 0.00 34.50 30.04 1r3d s PRO 209 CO 0.45 -0.73 -0.17 0.42 0.04 0.00 0.00 177.00 177.00 1r3d s ILE 210 N 2.86 1.75 -0.14 0.56 1.01 -1.26 -1.47 121.20 124.50 1r3d s ILE 210 Ca 0.72 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 60.63 1r3d s ILE 210 Cb -0.37 -1.59 0.01 0.00 0.01 0.00 0.00 42.46 40.52 1r3d s ILE 210 CO 0.31 0.49 -0.22 -2.28 0.00 0.00 0.00 174.94 173.24 1r3d s HIS 211 N 1.12 2.65 -0.03 3.97 2.46 0.28 -4.11 115.29 121.62 1r3d s HIS 211 Ca -0.02 -1.33 -0.11 0.00 0.47 0.00 0.00 55.06 54.06 1r3d s HIS 211 Cb -0.14 -1.80 -0.05 0.00 -0.13 0.00 0.00 32.58 30.46 1r3d s HIS 211 CO -0.06 -0.61 0.32 -0.47 -2.47 0.00 0.00 174.74 171.45 1r3d s TYR 212 N 0.81 3.67 -0.11 3.88 5.04 -0.20 -0.72 117.35 129.72 1r3d s TYR 212 Ca -0.07 0.81 0.03 0.00 -2.44 0.00 0.00 57.07 55.39 1r3d s TYR 212 Cb -0.16 -2.15 0.01 0.00 0.35 0.00 0.00 41.96 40.01 1r3d s TYR 212 CO -0.02 0.66 -0.20 0.08 -1.34 0.00 0.00 175.55 174.73 1r3d s VAL 213 N -1.11 1.81 0.12 3.14 1.01 0.64 -0.23 120.40 125.78 1r3d s VAL 213 Ca 0.22 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1r3d s VAL 213 Cb -0.15 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1r3d s VAL 213 CO 0.11 0.50 -0.08 0.00 0.00 0.00 0.00 175.10 175.64 1r3d s GLY 215 N -3.07 2.28 0.51 0.00 0.00 -1.14 -0.75 107.32 105.16 1r3d s GLY 215 Ca 0.13 -0.48 0.20 0.00 0.00 0.00 0.00 44.72 44.58 1r3d s GLY 215 CO -0.03 -0.16 2.11 1.05 0.00 0.00 0.00 173.10 176.08 1r3d h GLU 216 N 4.92 0.00 -0.01 2.90 4.11 -0.53 -2.24 114.58 123.74 1r3d h GLU 216 Ca -0.53 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.90 1r3d h GLU 216 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1r3d h GLU 216 CO 0.60 0.07 -0.00 1.04 0.07 0.00 0.00 179.01 180.79 1r3d n GLN 217 N -4.20 1.28 -3.39 1.06 6.02 -0.16 -4.53 117.38 113.46 1r3d n GLN 217 Ca -0.03 -0.42 -0.45 0.00 -0.01 0.00 0.00 57.00 56.09 1r3d n GLN 217 Cb 0.16 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.90 1r3d n GLN 217 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1r3d s ASP 218 N -2.01 6.58 0.21 1.08 -1.08 -0.84 -4.63 116.67 115.98 1r3d s ASP 218 Ca 0.43 -2.82 -0.10 0.00 -0.52 0.00 0.00 52.55 49.54 1r3d s ASP 218 Cb 0.22 -2.15 0.16 0.00 -1.46 0.00 0.00 42.92 39.68 1r3d s ASP 218 CO 0.36 -0.51 1.87 0.77 0.52 0.00 0.00 175.17 178.17 1r3d h SER 219 N 7.54 0.91 0.28 -0.34 4.64 -1.84 -0.68 113.55 124.05 1r3d h SER 219 Ca 0.10 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1r3d h SER 219 Cb 1.01 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1r3d h SER 219 CO 0.77 0.69 -0.17 0.50 -0.87 0.00 0.00 176.83 177.75 1r3d h LYS 220 N 1.05 -0.41 0.00 4.77 3.64 -1.96 -2.21 116.57 121.45 1r3d h LYS 220 Ca 0.28 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.65 1r3d h LYS 220 Cb -0.07 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1r3d h LYS 220 CO -0.06 -0.27 -0.36 0.74 -2.27 0.00 0.00 179.45 177.23 1r3d h PHE 221 N -0.43 0.00 -0.64 1.91 -1.00 -1.91 -2.29 116.94 112.59 1r3d h PHE 221 Ca -0.03 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.71 1r3d h PHE 221 Cb 0.35 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.88 1r3d h PHE 221 CO -0.09 0.17 0.23 0.37 -1.61 0.00 0.00 178.31 177.39 1r3d h GLN 222 N 0.00 0.97 -0.45 1.51 -0.00 -1.12 0.40 115.11 116.41 1r3d h GLN 222 Ca -0.01 -0.19 -0.13 0.00 -0.00 0.00 0.00 58.65 58.32 1r3d h GLN 222 Cb 1.14 -0.15 -0.01 0.00 0.00 0.00 0.00 27.48 28.46 1r3d h GLN 222 CO 0.02 0.83 -0.24 0.37 0.00 0.00 0.00 178.83 179.82 1r3d h GLN 223 N 0.91 0.94 -0.57 1.69 -0.00 -1.28 0.72 115.11 117.52 1r3d h GLN 223 Ca 0.21 -0.41 0.01 0.00 -0.00 0.00 0.00 58.65 58.46 1r3d h GLN 223 Cb 0.24 -0.03 -0.03 0.00 0.00 0.00 0.00 27.48 27.66 1r3d h GLN 223 CO -0.01 1.07 0.37 -0.07 0.00 0.00 0.00 178.83 180.19 1r3d h LEU 224 N 0.81 0.64 -0.03 -2.39 3.38 -1.29 -1.21 115.31 115.22 1r3d h LEU 224 Ca 0.10 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1r3d h LEU 224 Cb 0.80 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1r3d h LEU 224 CO 0.07 0.46 0.01 0.00 0.09 0.00 0.00 178.44 179.07 1r3d h ALA 225 N 1.22 0.04 -0.79 1.53 0.00 -0.57 -1.82 119.26 118.87 1r3d h ALA 225 Ca 0.21 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1r3d h ALA 225 Cb -0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1r3d h ALA 225 CO -0.05 -0.35 0.38 1.49 0.00 0.00 0.00 179.25 180.71 1r3d h GLU 226 N -0.16 1.12 -0.00 0.00 4.81 -0.78 -2.63 114.58 116.95 1r3d h GLU 226 Ca 0.01 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1r3d h GLU 226 Cb 0.21 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1r3d h GLU 226 CO -0.00 0.86 -0.26 -1.13 -0.73 0.00 0.00 179.01 177.75 1r3d n SER 227 N -4.32 0.60 0.15 1.04 3.41 -0.47 -4.23 113.62 109.80 1r3d n SER 227 Ca 0.08 -0.45 0.01 0.00 -0.26 0.00 0.00 58.87 58.24 1r3d n SER 227 Cb 0.13 0.04 0.21 0.00 -0.26 0.00 0.00 64.21 64.34 1r3d n SER 227 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1r3d h SER 228 N 0.53 0.00 0.00 4.04 4.64 -0.93 -3.47 113.55 118.36 1r3d h SER 228 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r3d h SER 228 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1r3d h SER 228 CO 0.00 0.55 0.00 0.61 -0.87 0.00 0.00 176.83 177.12 1r3d n GLY 229 N 0.27 0.90 3.87 -0.77 0.00 -1.26 -5.02 105.19 103.18 1r3d n GLY 229 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1r3d n GLY 229 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r3d s LEU 230 N 0.00 3.82 0.31 0.99 1.43 -1.26 -5.05 118.68 118.92 1r3d s LEU 230 Ca 0.00 1.14 -0.29 0.00 -1.03 0.00 0.00 54.13 53.95 1r3d s LEU 230 Cb 0.00 -4.03 -0.10 0.00 0.03 0.00 0.00 46.19 42.09 1r3d s LEU 230 CO 0.00 -0.41 1.34 -0.94 0.23 0.00 0.00 176.35 176.57 1r3d s SER 231 N -3.17 6.74 0.04 2.29 1.04 -1.26 -4.89 113.70 114.49 1r3d s SER 231 Ca 0.51 2.68 -0.12 0.00 0.48 0.00 0.00 55.95 59.50 1r3d s SER 231 Cb -0.10 -2.64 0.01 0.00 0.10 0.00 0.00 66.02 63.39 1r3d s SER 231 CO 0.32 -0.58 0.26 -0.72 0.98 0.00 0.00 173.24 173.50 1r3d s TYR 232 N -0.82 -0.04 -0.09 5.02 -0.85 -1.26 -1.04 117.35 118.27 1r3d s TYR 232 Ca 0.52 -0.12 0.00 0.00 -0.52 0.00 0.00 57.07 56.95 1r3d s TYR 232 Cb -0.40 0.05 -0.03 0.00 0.38 0.00 0.00 41.96 41.96 1r3d s TYR 232 CO 0.50 -0.47 -0.08 -1.12 -1.52 0.00 0.00 175.55 172.86 1r3d s SER 233 N -2.04 4.51 -0.28 -0.18 0.01 0.69 -4.93 113.70 111.48 1r3d s SER 233 Ca -0.05 -0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.11 1r3d s SER 233 Cb -0.01 -1.30 0.05 0.00 0.21 0.00 0.00 66.02 64.97 1r3d s SER 233 CO -0.03 0.30 -0.07 -1.58 0.41 0.00 0.00 173.24 172.27 1r3d s GLN 234 N -0.43 2.34 -0.23 12.44 0.74 -1.26 -1.31 119.66 131.96 1r3d s GLN 234 Ca 0.06 -1.30 -0.17 0.00 0.05 0.00 0.00 55.36 53.99 1r3d s GLN 234 Cb -0.12 -3.01 -0.03 0.00 1.10 0.00 0.00 33.01 30.95 1r3d s GLN 234 CO 0.02 -0.58 0.48 0.08 -0.55 0.00 0.00 175.29 174.74 1r3d s VAL 235 N 1.17 5.11 0.50 1.34 1.01 0.07 -4.78 120.40 124.84 1r3d s VAL 235 Ca -0.07 0.85 -0.22 0.00 0.00 0.00 0.00 61.98 62.54 1r3d s VAL 235 Cb -0.20 -3.80 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 1r3d s VAL 235 CO -0.03 0.15 1.29 0.00 0.00 0.00 0.00 175.10 176.51 1r3d s ALA 236 N 1.87 2.91 -1.26 5.51 0.00 -1.26 -0.89 121.76 128.63 1r3d s ALA 236 Ca 0.21 1.20 -0.02 0.00 0.00 0.00 0.00 51.96 53.35 1r3d s ALA 236 Cb -0.15 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.47 1r3d s ALA 236 CO 0.09 -1.09 0.96 1.04 0.00 0.00 0.00 175.76 176.76 1r3d n GLN 237 N -0.75 -6.41 -3.53 0.00 1.13 -1.26 -4.88 117.38 101.69 1r3d n GLN 237 Ca 0.09 0.78 -0.15 0.00 -1.94 0.00 0.00 57.00 55.78 1r3d n GLN 237 Cb 0.46 -5.70 -0.05 0.00 0.11 0.00 0.00 30.24 25.05 1r3d n GLN 237 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1r3d s ALA 238 N -3.42 -1.55 0.00 -1.58 0.00 -1.24 -4.76 121.76 109.21 1r3d s ALA 238 Ca 0.12 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.97 1r3d s ALA 238 Cb -0.06 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.35 1r3d s ALA 238 CO 0.75 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 176.44 1r3d n GLY 239 N 0.53 2.20 0.17 0.00 0.00 -1.26 -0.99 105.19 105.84 1r3d n GLY 239 Ca -0.19 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 1r3d n GLY 239 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1r3d h HIS 240 N 0.00 0.50 -2.22 1.61 2.76 -1.78 -3.01 115.15 113.01 1r3d h HIS 240 Ca 0.00 -0.03 -0.78 0.00 -2.20 0.00 0.00 60.37 57.36 1r3d h HIS 240 Cb 0.00 -0.16 -0.22 0.00 1.55 0.00 0.00 27.41 28.58 1r3d h HIS 240 CO 0.00 0.44 1.35 0.27 -1.30 0.00 0.00 177.93 178.69 1r3d n ASN 241 N -4.73 5.77 -0.27 3.26 6.94 -1.26 -4.72 115.26 120.24 1r3d n ASN 241 Ca -0.01 -3.25 -0.02 0.00 -0.02 0.00 0.00 54.58 51.28 1r3d n ASN 241 Cb 0.11 -1.38 0.10 0.00 -2.36 0.00 0.00 39.78 36.25 1r3d n ASN 241 CO 0.00 0.00 0.00 0.58 -1.03 0.00 0.00 177.26 176.81 1r3d h VAL 242 N 3.61 1.08 0.00 3.53 2.07 -1.96 -1.98 116.25 122.59 1r3d h VAL 242 Ca 0.29 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1r3d h VAL 242 Cb 0.64 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1r3d h VAL 242 CO 1.45 0.17 -0.02 1.12 0.02 0.00 0.00 177.57 180.32 1r3d h HIS 243 N 0.92 0.00 0.09 1.57 2.07 -1.87 0.47 115.15 118.39 1r3d h HIS 243 Ca 0.32 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 57.57 1r3d h HIS 243 Cb 0.06 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.03 1r3d h HIS 243 CO -0.04 0.02 -1.42 0.45 -3.07 0.00 0.00 177.93 173.87 1r3d h HIS 244 N 0.00 0.33 0.13 6.12 -0.00 -1.74 -3.32 115.15 116.67 1r3d h HIS 244 Ca -0.00 -0.24 -0.28 0.00 -0.00 0.00 0.00 60.37 59.85 1r3d h HIS 244 Cb 0.11 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.51 1r3d h HIS 244 CO 0.00 1.56 -1.29 0.93 -0.00 0.00 0.00 177.93 179.13 1r3d h GLU 245 N -0.43 0.27 -2.02 2.45 5.08 -0.87 -3.39 114.58 115.67 1r3d h GLU 245 Ca -0.32 -0.47 -0.49 0.00 -1.00 0.00 0.00 59.36 57.08 1r3d h GLU 245 Cb 1.67 0.17 -0.40 0.00 0.50 0.00 0.00 28.75 30.69 1r3d h GLU 245 CO -0.00 1.21 -1.16 1.04 -1.00 0.00 0.00 179.01 179.10 1r3d n GLN 246 N -3.52 1.11 0.09 2.33 1.13 0.16 -4.97 117.38 113.72 1r3d n GLN 246 Ca -0.10 -3.47 0.11 0.00 -1.94 0.00 0.00 57.00 51.60 1r3d n GLN 246 Cb 1.03 -1.73 0.60 0.00 0.11 0.00 0.00 30.24 30.24 1r3d n GLN 246 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1r3d h PRO 247 N 3.03 0.15 -0.21 -1.09 0.13 -1.65 -1.52 132.00 130.83 1r3d h PRO 247 Ca 0.10 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 65.11 1r3d h PRO 247 Cb 0.94 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 1r3d h PRO 247 CO 0.52 0.10 -0.32 0.37 -0.23 0.00 0.00 178.00 178.43 1r3d h GLN 248 N 0.15 0.60 -0.79 0.86 4.15 -1.91 -1.05 115.11 117.13 1r3d h GLN 248 Ca 0.14 -0.36 -0.03 0.00 0.77 0.00 0.00 58.65 59.17 1r3d h GLN 248 Cb 0.35 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.04 1r3d h GLN 248 CO -0.02 0.96 0.37 0.00 -1.93 0.00 0.00 178.83 178.21 1r3d h ALA 249 N 0.63 1.02 -0.35 3.38 0.00 -1.83 -1.27 119.26 120.83 1r3d h ALA 249 Ca 0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1r3d h ALA 249 Cb 0.91 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1r3d h ALA 249 CO 0.07 0.60 0.14 0.35 0.00 0.00 0.00 179.25 180.41 1r3d h PHE 250 N 1.12 0.54 -0.50 0.00 3.57 -1.16 -2.58 116.94 117.94 1r3d h PHE 250 Ca 0.27 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 1r3d h PHE 250 Cb 0.14 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1r3d h PHE 250 CO 0.01 0.50 0.22 0.00 -2.23 0.00 0.00 178.31 176.82 1r3d h ALA 251 N 0.98 1.46 -0.71 2.41 0.00 -0.99 -1.64 119.26 120.77 1r3d h ALA 251 Ca 0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1r3d h ALA 251 Cb 0.20 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1r3d h ALA 251 CO -0.01 0.43 0.41 -0.22 0.00 0.00 0.00 179.25 179.86 1r3d h LYS 252 N 0.70 0.96 -0.19 0.00 3.64 -1.05 0.10 116.57 120.73 1r3d h LYS 252 Ca 0.17 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1r3d h LYS 252 Cb 0.11 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1r3d h LYS 252 CO -0.02 0.68 -0.03 0.82 -2.27 0.00 0.00 179.45 178.63 1r3d h ILE 253 N 0.97 1.27 -0.50 2.00 2.04 -0.94 -1.09 117.51 121.27 1r3d h ILE 253 Ca 0.25 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 65.17 1r3d h ILE 253 Cb -0.02 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 1r3d h ILE 253 CO -0.05 0.29 0.31 0.58 0.00 0.00 0.00 178.15 179.29 1r3d h VAL 254 N 0.08 1.08 -0.73 1.67 2.07 -1.13 -2.79 116.25 116.50 1r3d h VAL 254 Ca 0.05 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.43 1r3d h VAL 254 Cb 0.45 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 1r3d h VAL 254 CO 0.02 0.11 0.40 -0.61 0.02 0.00 0.00 177.57 177.51 1r3d h GLN 255 N 0.62 0.69 -0.81 1.57 4.15 -0.66 -1.43 115.11 119.25 1r3d h GLN 255 Ca 0.20 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.58 1r3d h GLN 255 Cb -0.01 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.52 1r3d h GLN 255 CO -0.08 0.46 0.00 0.00 -1.93 0.00 0.00 178.83 177.28 1r3d n ALA 256 N -2.37 1.20 0.00 3.38 0.00 -0.42 -0.07 120.51 122.23 1r3d n ALA 256 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1r3d n ALA 256 Cb 0.22 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1r3d n ALA 256 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1r3d n ILE 258 N 0.70 0.00 -0.04 0.00 5.41 -0.54 -1.54 119.36 123.36 1r3d n ILE 258 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.87 1r3d n ILE 258 Cb 0.00 0.00 0.54 0.00 -0.71 0.00 0.00 39.64 39.47 1r3d n ILE 258 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 176.55 177.00 1r3d h HIS 259 N 0.00 0.33 0.00 1.39 3.86 -0.74 -0.72 115.15 119.28 1r3d h HIS 259 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1r3d h HIS 259 Cb 0.00 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.36 1r3d h HIS 259 CO 0.00 0.16 0.00 0.66 0.86 0.00 0.00 177.93 179.61 1r3d h SER 260 N 0.32 0.00 0.00 2.45 4.64 -1.52 -3.33 113.55 116.11 1r3d h SER 260 Ca 0.24 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.46 1r3d h SER 260 Cb 0.54 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 1r3d h SER 260 CO -0.06 0.00 -1.65 2.30 -0.87 0.00 0.00 176.83 176.55 1r3d n ILE 261 N -2.86 0.37 -4.14 0.95 -5.35 -0.32 -5.04 119.36 102.98 1r3d n ILE 261 Ca 0.02 -0.37 -0.09 0.00 -0.27 0.00 0.00 62.75 62.04 1r3d n ILE 261 Cb 0.34 -0.22 -0.10 0.00 -1.74 0.00 0.00 39.64 37.91 1r3d n ILE 261 CO 0.00 0.00 0.00 0.27 -1.76 0.00 0.00 176.55 175.06 1r3d s ILE 262 N -2.56 0.47 -2.99 7.28 -4.36 -0.95 -5.13 121.20 112.96 1r3d s ILE 262 Ca -0.05 -1.88 0.24 0.00 -0.26 0.00 0.00 60.65 58.70 1r3d s ILE 262 Cb 0.06 -1.63 0.20 0.00 1.25 0.00 0.00 42.46 42.33 1r3d s ILE 262 CO 0.48 -0.91 1.27 0.47 0.24 0.00 0.00 174.94 176.49