#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1z s PRO 8 N 0.00 2.78 0.00 1.64 0.04 -1.26 -4.93 135.00 133.27 3a1z s PRO 8 Ca 0.00 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 60.80 3a1z s PRO 8 Cb 0.00 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.20 3a1z s PRO 8 CO 0.00 -0.71 0.00 0.00 0.04 0.00 0.00 177.00 176.33 3a1z s LYS 10 N 0.72 2.09 0.00 0.00 2.20 -1.26 -2.41 119.74 121.07 3a1z s LYS 10 Ca 0.00 -0.60 0.00 0.00 -0.36 0.00 0.00 55.97 55.01 3a1z s LYS 10 Cb 0.00 -1.70 0.00 0.00 -1.51 0.00 0.00 37.83 34.62 3a1z s LYS 10 CO 0.00 0.14 0.00 -0.11 -0.36 0.00 0.00 175.35 175.02 3a1z n LEU 11 N 3.51 0.00 0.00 5.43 0.00 -1.26 -1.11 117.00 123.56 3a1z n LEU 11 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.81 3a1z n LEU 11 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.94 3a1z n LEU 11 CO 0.26 -0.01 0.00 0.61 0.00 0.00 0.00 177.39 178.25 3a1z n GLY 12 N 0.76 -0.46 3.51 -3.96 0.00 -1.26 -5.12 105.19 98.65 3a1z n GLY 12 Ca 0.00 0.04 -0.51 0.00 0.00 0.00 0.00 46.02 45.54 3a1z n GLY 12 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3a1z n ASP 13 N -2.22 0.27 -0.07 1.61 -0.08 -0.27 -4.90 116.55 110.89 3a1z n ASP 13 Ca 0.00 1.14 -0.15 0.00 -1.51 0.00 0.00 54.79 54.28 3a1z n ASP 13 Cb 0.00 -1.06 -0.05 0.00 2.34 0.00 0.00 41.12 42.35 3a1z n ASP 13 CO 0.00 0.00 0.00 0.80 0.12 0.00 0.00 177.20 178.12 3a1z n MET 14 N 1.45 0.33 0.00 -0.67 0.00 -1.26 -4.37 117.12 112.60 3a1z n MET 14 Ca 0.17 0.14 0.05 0.00 -0.00 0.00 0.00 57.70 58.06 3a1z n MET 14 Cb 0.20 -1.06 0.27 0.00 0.00 0.00 0.00 33.22 32.63 3a1z n MET 14 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 3a1z n GLN 15 N -3.78 0.25 0.00 2.12 -0.06 -1.26 -2.77 117.38 111.88 3a1z n GLN 15 Ca -0.27 0.05 0.00 0.00 -2.00 0.00 0.00 57.00 54.78 3a1z n GLN 15 Cb 0.64 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 25.32 3a1z n GLN 15 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3a1z n LEU 17 N -1.80 0.00 0.00 0.00 7.99 -1.12 0.53 117.00 122.61 3a1z n LEU 17 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 56.01 56.02 3a1z n LEU 17 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 3a1z n LEU 17 CO 0.00 0.00 0.00 -1.20 -1.51 0.00 0.00 177.39 174.68 3a1z n SER 18 N -0.06 0.00 -0.04 -1.43 7.64 -1.24 0.35 113.62 118.85 3a1z n SER 18 Ca 0.00 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.71 3a1z n SER 18 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 3a1z n SER 18 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3a1z n SER 19 N -1.56 1.62 0.14 6.43 2.88 0.19 -2.68 113.62 120.64 3a1z n SER 19 Ca 0.00 0.17 -0.06 0.00 -1.33 0.00 0.00 58.87 57.66 3a1z n SER 19 Cb 0.00 -0.43 -0.03 0.00 -0.75 0.00 0.00 64.21 63.01 3a1z n SER 19 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3a1z h ALA 20 N 0.36 -1.09 -0.57 -1.46 0.00 0.67 -2.08 119.26 115.08 3a1z h ALA 20 Ca -0.43 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.45 3a1z h ALA 20 Cb 2.03 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 19.91 3a1z h ALA 20 CO 0.05 -1.06 -0.34 2.41 0.00 0.00 0.00 179.25 180.31 3a1z n THR 21 N -3.02 -0.39 -0.24 0.00 -1.04 -1.11 0.26 114.28 108.74 3a1z n THR 21 Ca -0.05 1.63 0.30 0.00 -2.04 0.00 0.00 64.05 63.90 3a1z n THR 21 Cb 0.15 -2.04 0.52 0.00 -1.82 0.00 0.00 70.33 67.14 3a1z n THR 21 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3a1z h GLU 22 N 0.00 0.00 0.00 -2.82 4.81 -1.34 -2.01 114.58 113.21 3a1z h GLU 22 Ca 0.09 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.97 3a1z h GLU 22 Cb 0.23 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.55 3a1z h GLU 22 CO -0.54 0.00 -2.34 0.94 -0.73 0.00 0.00 179.01 176.35 3a1z n GLN 23 N -3.39 0.67 -0.17 1.92 7.27 0.73 -2.23 117.38 122.16 3a1z n GLN 23 Ca 0.24 0.11 -0.09 0.00 0.07 0.00 0.00 57.00 57.33 3a1z n GLN 23 Cb 1.48 -1.48 -0.04 0.00 2.41 0.00 0.00 30.24 32.61 3a1z n GLN 23 CO 0.00 0.00 0.00 0.35 0.07 0.00 0.00 177.06 177.48 3a1z h PHE 24 N 0.00 -1.29 -0.98 3.69 3.57 -0.39 0.98 116.94 122.51 3a1z h PHE 24 Ca -0.53 0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.08 3a1z h PHE 24 Cb 1.88 0.64 -0.06 0.00 2.79 0.00 0.00 35.95 41.21 3a1z h PHE 24 CO 0.02 -0.43 0.65 -0.07 -2.23 0.00 0.00 178.31 176.24 3a1z h LEU 25 N -0.27 1.08 -0.95 0.59 3.38 -1.66 0.28 115.31 117.76 3a1z h LEU 25 Ca 0.16 -0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.23 3a1z h LEU 25 Cb 0.57 -0.25 -0.14 0.00 0.09 0.00 0.00 40.66 40.93 3a1z h LEU 25 CO -0.64 0.75 -0.48 -0.08 0.09 0.00 0.00 178.44 178.07 3a1z h GLU 26 N 1.26 -0.02 0.00 1.13 4.81 -0.35 -2.78 114.58 118.62 3a1z h GLU 26 Ca 0.39 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.56 3a1z h GLU 26 Cb -0.02 0.01 -0.12 0.00 0.63 0.00 0.00 28.75 29.25 3a1z h GLU 26 CO -0.11 -0.02 -0.64 1.63 -0.73 0.00 0.00 179.01 179.14 3a1z n LYS 27 N -5.37 1.05 0.02 1.92 4.01 -0.95 -4.14 118.16 114.70 3a1z n LYS 27 Ca 0.06 -2.81 0.12 0.00 -0.51 0.00 0.00 58.31 55.17 3a1z n LYS 27 Cb 0.34 -1.09 0.18 0.00 -0.51 0.00 0.00 35.03 33.94 3a1z n LYS 27 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 3a1z n THR 28 N -0.62 0.14 -0.03 -0.18 -2.24 0.07 -4.67 114.28 106.76 3a1z n THR 28 Ca 0.14 -0.13 0.02 0.00 -2.27 0.00 0.00 64.05 61.81 3a1z n THR 28 Cb 0.83 0.13 0.03 0.00 -2.10 0.00 0.00 70.33 69.22 3a1z n THR 28 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3a1z n SER 29 N -1.78 -0.00 -0.04 3.42 7.64 -1.06 0.37 113.62 122.17 3a1z n SER 29 Ca 0.04 0.16 0.13 0.00 1.01 0.00 0.00 58.87 60.21 3a1z n SER 29 Cb 0.39 -0.06 0.50 0.00 -1.01 0.00 0.00 64.21 64.03 3a1z n SER 29 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3a1z n LYS 30 N -3.70 0.23 0.00 1.43 4.76 -1.26 -0.98 118.16 118.64 3a1z n LYS 30 Ca 0.02 -0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 3a1z n LYS 30 Cb 0.08 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 3a1z n LYS 30 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3a1z n GLY 31 N 1.43 -1.38 2.88 0.72 0.00 1.18 -4.08 105.19 105.93 3a1z n GLY 31 Ca 0.09 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.43 3a1z n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a1z s ILE 32 N -2.70 1.56 0.27 -0.61 1.01 -0.55 -4.83 121.20 115.35 3a1z s ILE 32 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 60.65 58.85 3a1z s ILE 32 Cb 0.00 -2.13 0.26 0.00 0.01 0.00 0.00 42.46 40.59 3a1z s ILE 32 CO 0.00 -0.60 1.75 -0.65 0.00 0.00 0.00 174.94 175.45 3a1z h PRO 33 N 7.86 0.59 -0.61 2.79 0.11 -1.94 -1.05 132.00 139.75 3a1z h PRO 33 Ca -0.10 -0.04 0.18 0.00 0.11 0.00 0.00 66.00 66.16 3a1z h PRO 33 Cb 1.02 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.97 3a1z h PRO 33 CO 0.49 0.39 0.50 1.96 -0.21 0.00 0.00 178.00 181.13 3a1z h GLN 34 N 0.61 0.00 -0.31 1.05 1.08 -1.95 -1.06 115.11 114.52 3a1z h GLN 34 Ca 0.49 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.69 3a1z h GLN 34 Cb 0.74 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 3a1z h GLN 34 CO -0.39 0.00 0.00 0.66 -0.95 0.00 0.00 178.83 178.15 3a1z n TYR 35 N -4.07 0.79 -4.06 2.96 4.01 -0.45 -4.96 117.16 111.38 3a1z n TYR 35 Ca 0.12 -0.71 -0.27 0.00 -0.16 0.00 0.00 57.90 56.88 3a1z n TYR 35 Cb 0.74 -0.20 -0.04 0.00 -0.31 0.00 0.00 39.34 39.53 3a1z n TYR 35 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3a1z n ASP 36 N -0.02 -0.07 -4.42 7.72 2.03 -0.40 -4.87 116.55 116.51 3a1z n ASP 36 Ca 0.18 -1.08 -0.36 0.00 0.52 0.00 0.00 54.79 54.05 3a1z n ASP 36 Cb 0.71 -2.66 -0.13 0.00 -0.72 0.00 0.00 41.12 38.32 3a1z n ASP 36 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3a1z s ILE 37 N -4.05 4.10 0.34 5.18 1.01 -0.89 -4.83 121.20 122.06 3a1z s ILE 37 Ca 0.03 -0.25 -0.19 0.00 0.00 0.00 0.00 60.65 60.25 3a1z s ILE 37 Cb -0.02 -2.90 -0.10 0.00 0.01 0.00 0.00 42.46 39.46 3a1z s ILE 37 CO 0.92 0.37 0.82 0.26 0.00 0.00 0.00 174.94 177.31 3a1z s TRP 38 N 1.52 3.42 0.20 3.97 0.51 -1.26 -1.48 118.94 125.81 3a1z s TRP 38 Ca 0.06 1.42 -0.32 0.00 -2.12 0.00 0.00 56.10 55.14 3a1z s TRP 38 Cb -0.15 -2.68 -0.11 0.00 -0.81 0.00 0.00 33.47 29.72 3a1z s TRP 38 CO 0.02 0.08 1.65 -1.25 -0.51 0.00 0.00 176.95 176.94 3a1z s PRO 39 N -2.81 4.16 -0.09 4.98 0.04 -1.26 -4.11 135.00 135.92 3a1z s PRO 39 Ca 0.55 2.50 0.13 0.00 0.04 0.00 0.00 61.00 64.22 3a1z s PRO 39 Cb -0.12 -3.10 0.19 0.00 0.04 0.00 0.00 34.50 31.51 3a1z s PRO 39 CO 0.17 -0.68 1.09 0.44 0.04 0.00 0.00 177.00 178.06 3a1z n ILE 40 N 3.87 1.52 -3.15 0.56 -5.35 -0.15 -4.66 119.36 111.99 3a1z n ILE 40 Ca 0.15 -1.77 0.05 0.00 -0.27 0.00 0.00 62.75 60.91 3a1z n ILE 40 Cb 0.37 0.01 -0.00 0.00 -1.74 0.00 0.00 39.64 38.28 3a1z n ILE 40 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3a1z s ASP 41 N -2.24 -0.47 0.34 7.28 -1.08 -1.12 -3.93 116.67 115.45 3a1z s ASP 41 Ca 0.21 0.08 -0.28 0.00 -0.52 0.00 0.00 52.55 52.05 3a1z s ASP 41 Cb 0.19 1.31 -0.10 0.00 -1.46 0.00 0.00 42.92 42.86 3a1z s ASP 41 CO 0.02 -0.09 1.23 -2.16 0.52 0.00 0.00 175.17 174.69 3a1z s PRO 42 N 2.95 4.32 -0.23 4.34 0.04 -1.26 -4.51 135.00 140.66 3a1z s PRO 42 Ca 0.23 2.03 -0.15 0.00 0.04 0.00 0.00 61.00 63.15 3a1z s PRO 42 Cb -0.03 -2.98 -0.04 0.00 0.04 0.00 0.00 34.50 31.48 3a1z s PRO 42 CO -0.21 -0.15 0.36 -1.17 0.04 0.00 0.00 177.00 175.86 3a1z s LEU 43 N -1.92 4.12 -0.26 -3.56 2.96 0.19 -4.90 118.68 115.31 3a1z s LEU 43 Ca 0.50 0.40 -0.13 0.00 -0.22 0.00 0.00 54.13 54.68 3a1z s LEU 43 Cb -0.36 -2.43 -0.04 0.00 0.50 0.00 0.00 46.19 43.86 3a1z s LEU 43 CO 0.47 -0.09 0.29 -0.69 -1.32 0.00 0.00 176.35 175.01 3a1z s VAL 44 N 1.49 5.25 -0.35 1.68 1.01 -1.26 0.11 120.40 128.33 3a1z s VAL 44 Ca 0.16 0.41 -0.02 0.00 0.00 0.00 0.00 61.98 62.53 3a1z s VAL 44 Cb -0.15 -3.62 0.08 0.00 0.00 0.00 0.00 36.38 32.69 3a1z s VAL 44 CO 0.08 0.23 0.10 -0.69 0.00 0.00 0.00 175.10 174.82 3a1z s VAL 45 N 1.69 3.08 0.48 2.92 1.01 0.07 -4.96 120.40 124.69 3a1z s VAL 45 Ca 0.12 -1.76 0.29 0.00 0.00 0.00 0.00 61.98 60.62 3a1z s VAL 45 Cb -0.15 -2.97 0.48 0.00 0.00 0.00 0.00 36.38 33.74 3a1z s VAL 45 CO 0.09 -0.42 1.78 0.74 0.00 0.00 0.00 175.10 177.30 3a1z h THR 46 N 6.42 0.44 -1.41 3.92 2.02 -1.94 0.15 112.91 122.51 3a1z h THR 46 Ca -0.16 -0.06 0.13 0.00 0.77 0.00 0.00 66.41 67.10 3a1z h THR 46 Cb 1.05 0.26 -0.29 0.00 -1.74 0.00 0.00 68.15 67.44 3a1z h THR 46 CO 0.61 0.03 0.50 -0.55 0.37 0.00 0.00 175.52 176.48 3a1z s SER 47 N -5.18 -0.38 -0.25 4.18 0.15 -1.26 -2.17 113.70 108.79 3a1z s SER 47 Ca -0.07 0.62 -0.11 0.00 0.70 0.00 0.00 55.95 57.10 3a1z s SER 47 Cb 0.24 1.08 0.09 0.00 -1.71 0.00 0.00 66.02 65.73 3a1z s SER 47 CO 0.80 -0.10 0.56 -0.22 1.20 0.00 0.00 173.24 175.48 3a1z s LEU 48 N 1.11 -0.78 0.05 3.45 1.98 -0.28 -4.99 118.68 119.22 3a1z s LEU 48 Ca -0.07 1.30 0.03 0.00 -2.89 0.00 0.00 54.13 52.50 3a1z s LEU 48 Cb -0.03 1.92 -0.04 0.00 0.66 0.00 0.00 46.19 48.70 3a1z s LEU 48 CO -0.13 -0.22 0.02 -1.81 -1.89 0.00 0.00 176.35 172.31 3a1z s ASP 49 N 2.23 5.18 -0.04 3.68 1.01 -1.26 -0.41 116.67 127.05 3a1z s ASP 49 Ca -0.07 -0.07 -0.01 0.00 0.71 0.00 0.00 52.55 53.11 3a1z s ASP 49 Cb -0.10 -1.32 0.03 0.00 1.01 0.00 0.00 42.92 42.55 3a1z s ASP 49 CO -0.17 0.22 0.04 -0.69 0.21 0.00 0.00 175.17 174.78 3a1z s VAL 50 N -1.24 -0.00 0.05 -1.27 1.01 -0.08 -4.98 120.40 113.89 3a1z s VAL 50 Ca 0.24 0.30 -0.19 0.00 0.00 0.00 0.00 61.98 62.34 3a1z s VAL 50 Cb -0.12 -0.20 -0.06 0.00 0.00 0.00 0.00 36.38 36.00 3a1z s VAL 50 CO 0.16 0.17 0.55 -0.63 0.00 0.00 0.00 175.10 175.34 3a1z s ILE 51 N 1.78 4.81 -0.07 2.22 1.01 -1.26 -0.26 121.20 129.42 3a1z s ILE 51 Ca 0.00 1.16 -0.30 0.00 0.00 0.00 0.00 60.65 61.52 3a1z s ILE 51 Cb -0.12 -3.87 -0.05 0.00 0.01 0.00 0.00 42.46 38.43 3a1z s ILE 51 CO -0.03 0.54 1.57 0.00 0.00 0.00 0.00 174.94 177.01 3a1z s ALA 52 N -0.95 3.63 0.30 9.38 0.00 -0.44 -4.88 121.76 128.79 3a1z s ALA 52 Ca 0.28 0.84 0.05 0.00 0.00 0.00 0.00 51.96 53.13 3a1z s ALA 52 Cb -0.19 -3.71 0.68 0.00 0.00 0.00 0.00 23.12 19.90 3a1z s ALA 52 CO 0.18 -1.33 1.81 -1.35 0.00 0.00 0.00 175.76 175.06 3a1z h PRO 53 N 9.19 0.82 -0.51 0.00 0.11 -1.91 -0.62 132.00 139.08 3a1z h PRO 53 Ca -0.37 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3a1z h PRO 53 Cb 1.16 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3a1z h PRO 53 CO 0.96 0.54 0.00 -1.13 -0.21 0.00 0.00 178.00 178.16 3a1z n SER 54 N -4.69 2.32 0.00 -2.05 3.41 -1.26 -4.69 113.62 106.66 3a1z n SER 54 Ca 0.21 -2.15 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 3a1z n SER 54 Cb 0.49 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 3a1z n SER 54 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3a1z n ASP 55 N 0.43 0.00 0.00 4.04 -0.08 -0.24 -5.00 116.55 115.70 3a1z n ASP 55 Ca 0.12 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.49 3a1z n ASP 55 Cb 0.43 0.00 0.47 0.00 2.34 0.00 0.00 41.12 44.36 3a1z n ASP 55 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3a1z n ALA 56 N 0.00 2.01 1.73 -1.67 0.00 -1.24 -1.39 120.51 119.95 3a1z n ALA 56 Ca 0.00 -0.09 0.15 0.00 0.00 0.00 0.00 53.44 53.50 3a1z n ALA 56 Cb 0.00 -1.29 0.78 0.00 0.00 0.00 0.00 19.45 18.94 3a1z n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a1z n GLY 57 N 0.22 -0.81 3.27 0.00 0.00 -1.26 -4.68 105.19 101.94 3a1z n GLY 57 Ca 0.09 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 3a1z n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a1z s ILE 58 N -2.14 2.98 -0.04 -0.61 1.01 -0.48 -1.48 121.20 120.44 3a1z s ILE 58 Ca 0.41 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 60.48 3a1z s ILE 58 Cb 0.21 -2.32 -0.01 0.00 0.01 0.00 0.00 42.46 40.35 3a1z s ILE 58 CO 0.39 0.47 -0.22 -0.69 0.00 0.00 0.00 174.94 174.89 3a1z s VAL 59 N 1.25 1.77 -0.24 2.92 1.01 -0.53 -1.33 120.40 125.24 3a1z s VAL 59 Ca 0.03 -0.93 -0.13 0.00 0.00 0.00 0.00 61.98 60.95 3a1z s VAL 59 Cb -0.14 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 3a1z s VAL 59 CO -0.04 0.50 0.27 -0.63 0.00 0.00 0.00 175.10 175.19 3a1z s ILE 60 N -0.28 5.28 -0.28 2.22 -1.09 0.64 -1.10 121.20 126.58 3a1z s ILE 60 Ca 0.02 0.40 -0.07 0.00 -2.23 0.00 0.00 60.65 58.77 3a1z s ILE 60 Cb -0.11 -3.60 0.00 0.00 -1.58 0.00 0.00 42.46 37.17 3a1z s ILE 60 CO 0.01 0.28 0.07 -0.13 -1.23 0.00 0.00 174.94 173.94 3a1z s ARG 61 N 1.37 3.23 -0.19 2.79 0.52 0.20 -0.91 118.95 125.96 3a1z s ARG 61 Ca 0.12 -0.76 -0.12 0.00 -0.52 0.00 0.00 55.73 54.45 3a1z s ARG 61 Cb -0.14 -3.35 -0.05 0.00 0.52 0.00 0.00 34.95 31.93 3a1z s ARG 61 CO 0.07 -0.38 0.20 -0.06 0.02 0.00 0.00 175.30 175.15 3a1z s PHE 62 N 1.53 3.42 -0.00 -0.53 0.08 0.45 -0.55 117.98 122.37 3a1z s PHE 62 Ca 0.04 0.42 0.08 0.00 0.12 0.00 0.00 56.93 57.59 3a1z s PHE 62 Cb -0.17 -2.25 -0.02 0.00 -0.57 0.00 0.00 43.02 40.01 3a1z s PHE 62 CO 0.02 0.24 -0.24 0.15 -0.10 0.00 0.00 175.22 175.29 3a1z s LYS 63 N 0.50 2.06 -0.59 0.44 1.02 -0.68 -1.12 119.74 121.37 3a1z s LYS 63 Ca 0.11 -0.96 -0.01 0.00 0.02 0.00 0.00 55.97 55.14 3a1z s LYS 63 Cb -0.12 -2.07 -0.01 0.00 -0.52 0.00 0.00 37.83 35.12 3a1z s LYS 63 CO 0.01 0.55 0.49 0.09 -0.92 0.00 0.00 175.35 175.57 3a1z n ASN 64 N 2.18 -2.50 -4.71 2.83 3.02 -0.92 -1.58 115.26 113.58 3a1z n ASN 64 Ca -0.16 -0.32 -0.40 0.00 -0.03 0.00 0.00 54.58 53.67 3a1z n ASN 64 Cb 0.51 -2.83 -0.04 0.00 -0.61 0.00 0.00 39.78 36.81 3a1z n ASN 64 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3a1z s LEU 65 N -4.19 4.31 -0.30 3.41 1.43 0.49 -4.27 118.68 119.57 3a1z s LEU 65 Ca 0.05 1.25 -0.07 0.00 -1.03 0.00 0.00 54.13 54.33 3a1z s LEU 65 Cb -0.01 -3.16 0.01 0.00 0.03 0.00 0.00 46.19 43.07 3a1z s LEU 65 CO 0.37 -0.15 0.08 0.20 0.23 0.00 0.00 176.35 177.07 3a1z s ASN 66 N 0.85 5.13 -0.19 2.29 0.01 0.65 -0.75 114.94 122.93 3a1z s ASN 66 Ca 0.40 -0.73 -0.02 0.00 -0.71 0.00 0.00 52.86 51.79 3a1z s ASN 66 Cb -0.18 -1.88 -0.01 0.00 0.41 0.00 0.00 41.25 39.60 3a1z s ASN 66 CO 0.19 -0.20 -0.09 -0.63 -1.51 0.00 0.00 177.10 174.86 3a1z s ILE 67 N 1.49 3.07 0.07 0.60 1.09 0.12 -2.12 121.20 125.52 3a1z s ILE 67 Ca 0.02 -0.61 0.06 0.00 -1.10 0.00 0.00 60.65 59.02 3a1z s ILE 67 Cb -0.17 -2.35 -0.04 0.00 -1.06 0.00 0.00 42.46 38.84 3a1z s ILE 67 CO 0.02 0.47 -0.09 0.42 -0.10 0.00 0.00 174.94 175.66 3a1z s THR 68 N 1.14 3.44 0.00 2.92 -4.23 -0.77 0.54 115.64 118.68 3a1z s THR 68 Ca 0.01 -1.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 3a1z s THR 68 Cb -0.14 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.12 3a1z s THR 68 CO -0.03 0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.86 3a1z n GLY 69 N 0.96 1.66 0.27 3.99 0.00 -1.26 -0.93 105.19 109.87 3a1z n GLY 69 Ca -0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 3a1z n GLY 69 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a1z h LEU 70 N 0.00 0.95 -1.17 0.99 3.38 -1.81 -2.85 115.31 114.81 3a1z h LEU 70 Ca 0.00 -0.39 0.45 0.00 0.09 0.00 0.00 57.88 58.02 3a1z h LEU 70 Cb 0.00 -0.26 -0.16 0.00 0.09 0.00 0.00 40.66 40.32 3a1z h LEU 70 CO 0.00 1.13 0.69 1.17 0.09 0.00 0.00 178.44 181.53 3a1z n LYS 71 N -4.17 -0.05 -0.82 1.13 4.81 -1.26 -0.24 118.16 117.55 3a1z n LYS 71 Ca -0.00 1.33 0.07 0.00 -0.87 0.00 0.00 58.31 58.84 3a1z n LYS 71 Cb 0.44 -2.49 0.38 0.00 0.02 0.00 0.00 35.03 33.39 3a1z n LYS 71 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3a1z n ASN 72 N -5.03 5.43 -4.63 3.14 3.02 -1.08 -4.32 115.26 111.79 3a1z n ASN 72 Ca 0.39 -2.93 -0.30 0.00 -0.03 0.00 0.00 54.58 51.72 3a1z n ASN 72 Cb 1.42 -0.66 0.18 0.00 -0.61 0.00 0.00 39.78 40.11 3a1z n ASN 72 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3a1z s GLN 73 N -2.74 0.56 -0.08 3.52 0.74 0.66 -4.91 119.66 117.41 3a1z s GLN 73 Ca 0.53 1.18 0.02 0.00 0.05 0.00 0.00 55.36 57.13 3a1z s GLN 73 Cb 0.40 -1.70 0.02 0.00 1.10 0.00 0.00 33.01 32.83 3a1z s GLN 73 CO 0.15 -2.82 -0.12 -0.65 -0.55 0.00 0.00 175.29 171.30 3a1z s GLN 74 N -4.66 1.79 -0.89 1.67 -0.21 -0.80 -4.99 119.66 111.57 3a1z s GLN 74 Ca 0.66 -0.42 -0.04 0.00 0.02 0.00 0.00 55.36 55.58 3a1z s GLN 74 Cb -0.22 -1.54 0.11 0.00 1.00 0.00 0.00 33.01 32.36 3a1z s GLN 74 CO 0.60 -0.04 2.53 -0.89 -2.12 0.00 0.00 175.29 175.37 3a1z n ILE 75 N 4.07 4.35 -1.05 1.08 -0.00 -1.26 -2.63 119.36 123.92 3a1z n ILE 75 Ca -0.20 -3.79 -0.43 0.00 -0.00 0.00 0.00 62.75 58.32 3a1z n ILE 75 Cb 0.51 -1.80 -0.07 0.00 -0.00 0.00 0.00 39.64 38.29 3a1z n ILE 75 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 3a1z n SER 76 N 1.16 2.21 0.00 4.38 3.41 -1.24 -4.62 113.62 118.92 3a1z n SER 76 Ca 0.55 -2.64 0.00 0.00 -0.26 0.00 0.00 58.87 56.52 3a1z n SER 76 Cb 0.39 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 3a1z n SER 76 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3a1z n ASP 77 N 8.13 0.00 -3.73 4.04 -0.08 -1.26 -4.72 116.55 118.93 3a1z n ASP 77 Ca 0.49 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.65 3a1z n ASP 77 Cb 0.41 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.75 3a1z n ASP 77 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 3a1z s PHE 78 N -0.80 -0.37 -0.39 -0.67 2.19 -1.26 -0.90 117.98 115.78 3a1z s PHE 78 Ca 0.00 0.87 0.02 0.00 0.33 0.00 0.00 56.93 58.14 3a1z s PHE 78 Cb 0.00 0.10 0.15 0.00 -1.31 0.00 0.00 43.02 41.96 3a1z s PHE 78 CO 0.00 -0.23 0.26 -0.65 1.83 0.00 0.00 175.22 176.42 3a1z s GLN 79 N 1.04 0.84 1.00 10.12 -0.21 0.16 -4.94 119.66 127.68 3a1z s GLN 79 Ca -0.07 -1.72 -0.12 0.00 0.02 0.00 0.00 55.36 53.47 3a1z s GLN 79 Cb -0.08 -1.59 0.19 0.00 1.00 0.00 0.00 33.01 32.53 3a1z s GLN 79 CO -0.07 -1.25 1.08 -1.64 -2.12 0.00 0.00 175.29 171.29 3a1z s MET 80 N 0.60 0.40 -0.42 2.91 -1.94 -1.26 -1.31 119.30 118.27 3a1z s MET 80 Ca 0.22 0.63 0.00 0.00 -1.71 0.00 0.00 55.69 54.83 3a1z s MET 80 Cb -0.16 -1.72 0.20 0.00 2.01 0.00 0.00 34.83 35.16 3a1z s MET 80 CO -0.05 -2.78 0.89 0.34 -0.01 0.00 0.00 175.02 173.41 3a1z s ASP 81 N -3.31 -0.91 0.60 3.03 -1.08 -1.11 -4.93 116.67 108.95 3a1z s ASP 81 Ca 0.65 -0.96 0.22 0.00 -0.52 0.00 0.00 52.55 51.94 3a1z s ASP 81 Cb -0.19 1.19 1.18 0.00 -1.46 0.00 0.00 42.92 43.64 3a1z s ASP 81 CO 0.58 -0.05 1.64 0.74 0.52 0.00 0.00 175.17 178.61 3a1z h THR 82 N 3.94 0.00 0.00 1.71 2.02 -1.96 0.17 112.91 118.79 3a1z h THR 82 Ca 0.03 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.17 3a1z h THR 82 Cb 1.15 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 3a1z h THR 82 CO -0.03 0.00 -0.86 0.29 0.37 0.00 0.00 175.52 175.29 3a1z n LYS 83 N -2.66 0.50 0.32 6.66 5.02 -1.26 -4.14 118.16 122.60 3a1z n LYS 83 Ca -0.01 0.39 0.20 0.00 -2.02 0.00 0.00 58.31 56.87 3a1z n LYS 83 Cb 0.47 -1.58 1.08 0.00 -0.02 0.00 0.00 35.03 34.99 3a1z n LYS 83 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3a1z h ALA 84 N -0.97 1.14 -4.44 7.82 0.00 -1.97 -3.47 119.26 117.37 3a1z h ALA 84 Ca -0.06 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3a1z h ALA 84 Cb 0.81 -0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.69 3a1z h ALA 84 CO -0.03 0.01 -0.37 1.63 0.00 0.00 0.00 179.25 180.48 3a1z n LYS 85 N -3.29 -1.18 -3.78 0.00 4.76 0.59 -4.94 118.16 110.33 3a1z n LYS 85 Ca -0.03 0.67 -0.10 0.00 -2.87 0.00 0.00 58.31 55.99 3a1z n LYS 85 Cb 0.10 -4.06 -0.05 0.00 -1.84 0.00 0.00 35.03 29.19 3a1z n LYS 85 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3a1z s THR 86 N -3.17 0.06 -0.00 -0.18 -4.23 -1.20 -2.67 115.64 104.25 3a1z s THR 86 Ca 0.20 -0.91 0.02 0.00 -1.18 0.00 0.00 61.69 59.81 3a1z s THR 86 Cb -0.03 -1.50 -0.00 0.00 1.34 0.00 0.00 72.50 72.31 3a1z s THR 86 CO 0.44 -0.28 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.50 3a1z s VAL 87 N -3.88 0.43 -0.05 2.29 1.01 -0.11 -2.74 120.40 117.35 3a1z s VAL 87 Ca 0.09 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.88 3a1z s VAL 87 Cb 0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 3a1z s VAL 87 CO -0.06 0.12 -0.22 -0.22 0.00 0.00 0.00 175.10 174.73 3a1z s LEU 88 N -0.14 2.00 -0.23 3.92 2.96 -0.42 -2.67 118.68 124.10 3a1z s LEU 88 Ca 0.02 -0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 53.46 3a1z s LEU 88 Cb -0.02 -1.20 0.11 0.00 0.50 0.00 0.00 46.19 45.58 3a1z s LEU 88 CO -0.00 0.20 0.27 -0.22 -1.32 0.00 0.00 176.35 175.28 3a1z s LEU 89 N -0.06 -0.25 0.09 -0.68 2.96 -0.67 0.38 118.68 120.45 3a1z s LEU 89 Ca -0.04 -0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 53.60 3a1z s LEU 89 Cb -0.13 0.57 -0.05 0.00 0.50 0.00 0.00 46.19 47.08 3a1z s LEU 89 CO 0.03 -0.33 0.28 -0.54 -1.32 0.00 0.00 176.35 174.47 3a1z s LYS 90 N 2.38 3.52 0.03 1.98 1.02 -0.07 -0.74 119.74 127.86 3a1z s LYS 90 Ca 0.09 -0.26 -0.05 0.00 0.02 0.00 0.00 55.97 55.77 3a1z s LYS 90 Cb -0.15 -2.97 -0.01 0.00 -0.52 0.00 0.00 37.83 34.18 3a1z s LYS 90 CO -0.18 0.56 0.07 0.95 -0.92 0.00 0.00 175.35 175.84 3a1z s THR 91 N -1.55 0.13 -0.05 2.17 -4.23 0.23 -3.72 115.64 108.62 3a1z s THR 91 Ca 0.37 -1.04 -0.03 0.00 -1.18 0.00 0.00 61.69 59.81 3a1z s THR 91 Cb -0.13 -0.75 0.03 0.00 1.34 0.00 0.00 72.50 72.99 3a1z s THR 91 CO 0.25 -0.57 0.12 -0.75 -0.54 0.00 0.00 174.62 173.13 3a1z s LYS 92 N -2.28 0.10 -0.04 3.99 2.20 -1.08 -0.22 119.74 122.41 3a1z s LYS 92 Ca -0.08 0.26 -0.06 0.00 -0.36 0.00 0.00 55.97 55.74 3a1z s LYS 92 Cb -0.03 -0.08 0.01 0.00 -1.51 0.00 0.00 37.83 36.22 3a1z s LYS 92 CO -0.03 -0.10 0.14 0.00 -0.36 0.00 0.00 175.35 175.00 3a1z s ALA 93 N 0.69 -0.35 -0.24 3.13 0.00 0.32 -1.91 121.76 123.40 3a1z s ALA 93 Ca -0.05 0.23 -0.17 0.00 0.00 0.00 0.00 51.96 51.97 3a1z s ALA 93 Cb -0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 3a1z s ALA 93 CO -0.03 -0.12 0.44 0.34 0.00 0.00 0.00 175.76 176.40 3a1z s ASP 94 N -0.40 6.41 -0.10 0.00 -1.08 -1.26 0.84 116.67 121.07 3a1z s ASP 94 Ca -0.05 0.49 0.04 0.00 -0.52 0.00 0.00 52.55 52.51 3a1z s ASP 94 Cb -0.03 -2.25 0.00 0.00 -1.46 0.00 0.00 42.92 39.18 3a1z s ASP 94 CO 0.01 -0.18 -0.24 -0.76 0.52 0.00 0.00 175.17 174.52 3a1z s LEU 95 N 1.84 2.09 -0.27 -1.34 1.43 0.37 -4.46 118.68 118.34 3a1z s LEU 95 Ca 0.19 -0.56 -0.13 0.00 -1.03 0.00 0.00 54.13 52.60 3a1z s LEU 95 Cb -0.15 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 3a1z s LEU 95 CO 0.09 0.15 0.30 -1.00 0.23 0.00 0.00 176.35 176.12 3a1z s HIS 96 N 0.39 3.24 -0.13 0.29 3.76 -0.11 -1.67 115.29 121.06 3a1z s HIS 96 Ca -0.18 0.30 0.01 0.00 -0.15 0.00 0.00 55.06 55.04 3a1z s HIS 96 Cb -0.18 -2.49 -0.01 0.00 1.11 0.00 0.00 32.58 31.02 3a1z s HIS 96 CO 0.08 -0.18 -0.17 0.42 -0.85 0.00 0.00 174.74 174.04 3a1z s ILE 97 N 1.88 2.63 -0.03 0.60 1.01 0.22 -1.85 121.20 125.67 3a1z s ILE 97 Ca 0.12 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.98 3a1z s ILE 97 Cb -0.16 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.24 3a1z s ILE 97 CO 0.10 0.53 -0.05 -0.69 0.00 0.00 0.00 174.94 174.83 3a1z s VAL 98 N 0.54 0.51 0.08 2.92 1.01 -0.90 0.99 120.40 125.55 3a1z s VAL 98 Ca -0.11 -0.17 -0.26 0.00 0.00 0.00 0.00 61.98 61.45 3a1z s VAL 98 Cb -0.16 -0.50 0.09 0.00 0.00 0.00 0.00 36.38 35.80 3a1z s VAL 98 CO 0.04 0.19 1.15 -0.83 0.00 0.00 0.00 175.10 175.66 3a1z s GLY 99 N 0.55 -0.12 0.40 4.51 0.00 0.27 -0.25 107.32 112.68 3a1z s GLY 99 Ca -0.07 0.06 -0.23 0.00 0.00 0.00 0.00 44.72 44.47 3a1z s GLY 99 CO 0.00 2.45 0.99 0.99 0.00 0.00 0.00 173.10 177.53 3a1z s ASP 100 N -3.36 6.94 -0.02 1.64 1.01 -0.61 -0.70 116.67 121.56 3a1z s ASP 100 Ca 0.21 1.86 0.00 0.00 0.71 0.00 0.00 52.55 55.34 3a1z s ASP 100 Cb -0.00 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.38 3a1z s ASP 100 CO 0.01 -0.36 -0.00 -0.51 0.21 0.00 0.00 175.17 174.52 3a1z s ILE 101 N -1.84 0.17 -0.18 0.77 2.07 -0.67 -1.69 121.20 119.84 3a1z s ILE 101 Ca 0.58 0.05 -0.03 0.00 -1.41 0.00 0.00 60.65 59.84 3a1z s ILE 101 Cb -0.16 -0.25 -0.02 0.00 0.13 0.00 0.00 42.46 42.16 3a1z s ILE 101 CO 0.21 0.13 -0.05 -0.69 -1.91 0.00 0.00 174.94 172.62 3a1z s VAL 102 N 0.82 3.50 -0.50 4.00 1.01 0.29 -1.83 120.40 127.69 3a1z s VAL 102 Ca -0.08 -0.47 -0.15 0.00 0.00 0.00 0.00 61.98 61.27 3a1z s VAL 102 Cb -0.11 -2.55 0.10 0.00 0.00 0.00 0.00 36.38 33.81 3a1z s VAL 102 CO -0.01 0.46 0.43 -0.63 0.00 0.00 0.00 175.10 175.35 3a1z s ILE 103 N 0.92 5.12 -0.43 2.22 1.01 0.14 -0.63 121.20 129.55 3a1z s ILE 103 Ca -0.01 -1.30 -0.16 0.00 0.00 0.00 0.00 60.65 59.18 3a1z s ILE 103 Cb -0.15 -4.17 0.03 0.00 0.01 0.00 0.00 42.46 38.18 3a1z s ILE 103 CO 0.01 -0.71 0.40 -0.70 0.00 0.00 0.00 174.94 173.94 3a1z s GLU 104 N 1.60 3.03 -1.24 2.79 2.12 -0.26 -0.91 118.70 125.83 3a1z s GLU 104 Ca 0.04 -0.96 -0.12 0.00 0.36 0.00 0.00 54.97 54.29 3a1z s GLU 104 Cb -0.27 -4.01 0.17 0.00 0.26 0.00 0.00 34.13 30.29 3a1z s GLU 104 CO 0.04 -0.88 1.62 1.28 -0.54 0.00 0.00 175.26 176.79 3a1z n LEU 105 N 5.43 5.87 -0.30 2.70 4.77 -0.16 -1.46 117.00 133.85 3a1z n LEU 105 Ca -0.09 -4.57 0.15 0.00 -0.03 0.00 0.00 56.01 51.47 3a1z n LEU 105 Cb 0.46 -1.55 0.41 0.00 -2.33 0.00 0.00 43.42 40.41 3a1z n LEU 105 CO 0.45 1.04 1.21 0.74 -1.33 0.00 0.00 177.39 179.51 3a1z h THR 106 N 4.21 0.72 -0.00 -5.08 2.02 -1.46 0.12 112.91 113.43 3a1z h THR 106 Ca 0.35 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.31 3a1z h THR 106 Cb 0.76 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 3a1z h THR 106 CO 1.41 0.11 -0.04 -0.62 0.37 0.00 0.00 175.52 176.75 3a1z n GLU 107 N -4.62 0.36 -0.04 6.66 1.02 -1.25 -2.32 120.64 120.45 3a1z n GLU 107 Ca 0.21 -0.04 0.06 0.00 -0.02 0.00 0.00 57.16 57.37 3a1z n GLU 107 Cb 0.60 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.60 3a1z n GLU 107 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3a1z n GLN 108 N -1.29 1.16 -1.70 3.49 6.02 0.36 -4.97 117.38 120.46 3a1z n GLN 108 Ca 0.12 -1.42 -0.18 0.00 -0.01 0.00 0.00 57.00 55.52 3a1z n GLN 108 Cb 0.27 -1.25 -0.06 0.00 1.02 0.00 0.00 30.24 30.22 3a1z n GLN 108 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3a1z n SER 109 N 0.67 -5.19 -4.23 1.08 7.64 -0.92 -4.97 113.62 107.70 3a1z n SER 109 Ca 0.08 0.35 -0.17 0.00 1.01 0.00 0.00 58.87 60.14 3a1z n SER 109 Cb 0.33 -4.27 -0.11 0.00 -1.01 0.00 0.00 64.21 59.15 3a1z n SER 109 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 3a1z s LYS 110 N -3.82 1.00 0.19 1.43 -2.85 -1.20 -5.06 119.74 109.43 3a1z s LYS 110 Ca 0.00 -1.26 -0.03 0.00 -1.00 0.00 0.00 55.97 53.68 3a1z s LYS 110 Cb 0.00 -0.80 -0.03 0.00 -2.06 0.00 0.00 37.83 34.94 3a1z s LYS 110 CO 0.00 0.14 0.17 -1.54 0.10 0.00 0.00 175.35 174.22 3a1z s SER 111 N -2.57 0.14 -0.02 0.03 1.04 -1.26 -0.99 113.70 110.07 3a1z s SER 111 Ca 0.10 -1.27 0.05 0.00 0.48 0.00 0.00 55.95 55.30 3a1z s SER 111 Cb -0.03 0.39 -0.01 0.00 0.10 0.00 0.00 66.02 66.47 3a1z s SER 111 CO 0.02 -0.86 -0.15 -0.36 0.98 0.00 0.00 173.24 172.87 3a1z s PHE 112 N -4.11 1.40 0.18 5.02 0.40 -0.09 -4.94 117.98 115.84 3a1z s PHE 112 Ca 0.33 -0.29 0.11 0.00 -0.60 0.00 0.00 56.93 56.49 3a1z s PHE 112 Cb 0.06 -0.91 -0.04 0.00 0.51 0.00 0.00 43.02 42.63 3a1z s PHE 112 CO 0.09 -0.04 -0.24 0.99 0.70 0.00 0.00 175.22 176.72 3a1z s THR 113 N -0.29 2.36 -2.45 0.64 2.01 -1.26 0.23 115.64 116.89 3a1z s THR 113 Ca 0.04 -1.96 0.00 0.00 0.31 0.00 0.00 61.69 60.09 3a1z s THR 113 Cb -0.07 -2.11 0.00 0.00 0.01 0.00 0.00 72.50 70.33 3a1z s THR 113 CO -0.00 -0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.47 3a1z n GLY 114 N 0.41 -0.56 3.38 4.40 0.00 -0.76 -4.38 105.19 107.68 3a1z n GLY 114 Ca -0.14 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 3a1z n GLY 114 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a1z s LEU 115 N 0.00 2.41 -0.02 0.99 1.02 -1.26 -1.67 118.68 120.16 3a1z s LEU 115 Ca 0.00 -0.84 0.01 0.00 0.02 0.00 0.00 54.13 53.32 3a1z s LEU 115 Cb 0.00 -1.03 0.01 0.00 0.02 0.00 0.00 46.19 45.19 3a1z s LEU 115 CO 0.00 0.07 -0.03 -0.47 0.02 0.00 0.00 176.35 175.94 3a1z s TYR 116 N -1.70 0.40 -0.02 0.29 6.14 0.12 -1.71 117.35 120.87 3a1z s TYR 116 Ca 0.17 -0.07 0.00 0.00 0.64 0.00 0.00 57.07 57.82 3a1z s TYR 116 Cb -0.08 -0.33 0.02 0.00 0.42 0.00 0.00 41.96 41.99 3a1z s TYR 116 CO 0.08 -0.06 0.01 0.99 0.64 0.00 0.00 175.55 177.20 3a1z s THR 117 N 0.32 0.08 -0.09 4.34 2.01 -0.89 -0.57 115.64 120.86 3a1z s THR 117 Ca -0.03 0.08 -0.04 0.00 0.31 0.00 0.00 61.69 62.02 3a1z s THR 117 Cb -0.06 -0.16 0.05 0.00 0.01 0.00 0.00 72.50 72.33 3a1z s THR 117 CO -0.01 0.09 0.18 0.00 -0.69 0.00 0.00 174.62 174.20 3a1z s ALA 118 N 0.72 -0.33 -0.22 7.40 0.00 0.28 -0.75 121.76 128.86 3a1z s ALA 118 Ca -0.07 0.74 -0.04 0.00 0.00 0.00 0.00 51.96 52.59 3a1z s ALA 118 Cb -0.10 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 3a1z s ALA 118 CO -0.02 -0.33 -0.02 -0.51 0.00 0.00 0.00 175.76 174.88 3a1z s ASP 119 N 1.64 4.48 -0.02 0.00 1.01 0.76 0.73 116.67 125.27 3a1z s ASP 119 Ca -0.05 -0.34 -0.22 0.00 0.71 0.00 0.00 52.55 52.65 3a1z s ASP 119 Cb -0.12 -1.77 0.04 0.00 1.01 0.00 0.00 42.92 42.09 3a1z s ASP 119 CO -0.07 -0.01 0.48 0.28 0.21 0.00 0.00 175.17 176.07 3a1z s THR 120 N 1.42 0.03 -0.29 -1.27 -1.32 -0.67 -0.59 115.64 112.95 3a1z s THR 120 Ca 0.05 -0.26 -0.10 0.00 -1.21 0.00 0.00 61.69 60.17 3a1z s THR 120 Cb -0.14 -0.82 -0.02 0.00 -1.51 0.00 0.00 72.50 70.00 3a1z s THR 120 CO -0.01 -0.15 0.16 0.21 -2.21 0.00 0.00 174.62 172.62 3a1z s ASN 121 N -1.36 5.66 -0.14 8.08 2.47 -1.25 0.14 114.94 128.54 3a1z s ASN 121 Ca -0.11 -0.30 0.01 0.00 0.42 0.00 0.00 52.86 52.87 3a1z s ASN 121 Cb -0.02 -2.04 -0.00 0.00 -1.45 0.00 0.00 41.25 37.74 3a1z s ASN 121 CO 0.06 -0.13 -0.18 -0.69 -3.72 0.00 0.00 177.10 172.44 3a1z s VAL 122 N 1.67 2.49 -0.21 -5.21 1.01 0.25 -3.19 120.40 117.21 3a1z s VAL 122 Ca 0.06 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 3a1z s VAL 122 Cb -0.16 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 3a1z s VAL 122 CO 0.08 0.53 -0.03 -0.63 0.00 0.00 0.00 175.10 175.04 3a1z s ILE 123 N 0.69 3.56 0.04 2.22 1.01 0.51 -0.52 121.20 128.71 3a1z s ILE 123 Ca -0.08 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 3a1z s ILE 123 Cb -0.16 -2.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.67 3a1z s ILE 123 CO 0.01 0.43 -0.02 -0.83 0.00 0.00 0.00 174.94 174.54 3a1z s GLY 124 N 1.23 0.37 0.03 6.18 0.00 0.69 -0.39 107.32 115.44 3a1z s GLY 124 Ca 0.03 -0.96 0.07 0.00 0.00 0.00 0.00 44.72 43.86 3a1z s GLY 124 CO -0.01 -1.06 -0.19 0.00 0.00 0.00 0.00 173.10 171.84 3a1z s ALA 125 N -3.06 2.56 -0.11 3.20 0.00 -0.22 0.78 121.76 124.90 3a1z s ALA 125 Ca -0.01 -1.18 -0.01 0.00 0.00 0.00 0.00 51.96 50.76 3a1z s ALA 125 Cb 0.02 -0.73 0.03 0.00 0.00 0.00 0.00 23.12 22.44 3a1z s ALA 125 CO -0.07 0.57 -0.06 0.08 0.00 0.00 0.00 175.76 176.27 3a1z s VAL 126 N -0.89 0.93 -0.07 0.00 1.01 0.09 -0.35 120.40 121.11 3a1z s VAL 126 Ca 0.14 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.92 3a1z s VAL 126 Cb -0.10 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 3a1z s VAL 126 CO 0.04 0.35 -0.19 -0.13 0.00 0.00 0.00 175.10 175.17 3a1z s ARG 127 N 1.75 2.74 -0.09 2.72 0.52 -0.47 -1.67 118.95 124.45 3a1z s ARG 127 Ca 0.05 -0.79 -0.21 0.00 -0.52 0.00 0.00 55.73 54.26 3a1z s ARG 127 Cb -0.13 -2.34 0.05 0.00 0.52 0.00 0.00 34.95 33.05 3a1z s ARG 127 CO -0.08 0.42 0.50 1.52 0.02 0.00 0.00 175.30 177.68 3a1z s TYR 128 N -0.22 -0.46 0.81 -0.53 -0.85 -1.09 -1.09 117.35 113.93 3a1z s TYR 128 Ca -0.01 0.91 -0.13 0.00 -0.52 0.00 0.00 57.07 57.33 3a1z s TYR 128 Cb -0.13 0.23 0.18 0.00 0.38 0.00 0.00 41.96 42.62 3a1z s TYR 128 CO 0.03 -0.42 1.11 0.41 -1.52 0.00 0.00 175.55 175.16 3a1z n GLY 129 N 1.66 -1.20 2.86 5.49 0.00 -1.26 -0.94 105.19 111.81 3a1z n GLY 129 Ca -0.18 -1.74 -0.02 0.00 0.00 0.00 0.00 46.02 44.08 3a1z n GLY 129 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3a1z n TYR 130 N -3.47 -1.08 -4.04 1.61 0.18 -1.09 -2.13 117.16 107.14 3a1z n TYR 130 Ca 0.14 -0.91 -0.12 0.00 1.88 0.00 0.00 57.90 58.89 3a1z n TYR 130 Cb 0.50 0.44 -0.04 0.00 -0.38 0.00 0.00 39.34 39.86 3a1z n TYR 130 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3a1z s ASN 131 N -2.83 0.45 -0.15 9.48 2.20 -1.06 -4.86 114.94 118.17 3a1z s ASN 131 Ca 0.17 -1.26 -0.05 0.00 -0.94 0.00 0.00 52.86 50.79 3a1z s ASN 131 Cb -0.02 0.64 -0.03 0.00 -2.00 0.00 0.00 41.25 39.83 3a1z s ASN 131 CO 0.04 -1.25 0.02 -0.76 -2.94 0.00 0.00 177.10 172.20 3a1z s LEU 132 N -3.14 3.59 0.03 3.54 2.01 -1.26 -0.83 118.68 122.62 3a1z s LEU 132 Ca 0.27 0.04 0.02 0.00 0.01 0.00 0.00 54.13 54.47 3a1z s LEU 132 Cb -0.00 -1.87 -0.02 0.00 0.01 0.00 0.00 46.19 44.30 3a1z s LEU 132 CO 0.15 0.23 -0.06 -0.54 1.01 0.00 0.00 176.35 177.14 3a1z s LYS 133 N -0.01 0.46 0.12 1.70 1.02 0.22 -4.91 119.74 118.34 3a1z s LYS 133 Ca 0.04 -0.68 0.06 0.00 0.02 0.00 0.00 55.97 55.40 3a1z s LYS 133 Cb -0.13 -0.20 -0.04 0.00 -0.52 0.00 0.00 37.83 36.95 3a1z s LYS 133 CO 0.02 0.03 0.01 -0.80 -0.92 0.00 0.00 175.35 173.68 3a1z s ASN 134 N -1.46 4.97 1.29 2.83 0.01 -1.25 -0.40 114.94 120.93 3a1z s ASN 134 Ca -0.11 -0.25 -0.19 0.00 -0.71 0.00 0.00 52.86 51.60 3a1z s ASN 134 Cb -0.09 -1.15 0.30 0.00 0.41 0.00 0.00 41.25 40.71 3a1z s ASN 134 CO 0.00 0.14 0.69 0.47 -1.51 0.00 0.00 177.10 176.89 3a1z n ASP 135 N 0.29 -3.36 0.00 -1.22 8.00 0.12 -4.72 116.55 115.67 3a1z n ASP 135 Ca -0.10 -0.58 0.06 0.00 0.71 0.00 0.00 54.79 54.88 3a1z n ASP 135 Cb 0.53 -0.98 0.35 0.00 -0.02 0.00 0.00 41.12 41.00 3a1z n ASP 135 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3a1z n ASP 136 N -4.22 0.00 -1.60 -2.24 5.68 -1.26 -2.33 116.55 110.58 3a1z n ASP 136 Ca 0.09 -0.63 -0.01 0.00 -0.50 0.00 0.00 54.79 53.74 3a1z n ASP 136 Cb 0.53 0.00 0.08 0.00 -1.14 0.00 0.00 41.12 40.59 3a1z n ASP 136 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3a1z n ASN 137 N -0.87 1.96 0.00 -1.12 2.04 -1.26 -5.03 115.26 110.98 3a1z n ASN 137 Ca 0.09 -2.83 0.00 0.00 -0.44 0.00 0.00 54.58 51.40 3a1z n ASN 137 Cb 0.04 -0.41 0.00 0.00 -2.53 0.00 0.00 39.78 36.88 3a1z n ASN 137 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3a1z n GLY 138 N -0.38 2.77 3.70 4.83 0.00 -0.99 -5.01 105.19 110.11 3a1z n GLY 138 Ca 0.16 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 3a1z n GLY 138 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3a1z n VAL 139 N 0.00 0.61 -3.37 1.61 0.31 -1.26 -4.48 118.33 111.75 3a1z n VAL 139 Ca 0.00 -0.15 -0.38 0.00 -0.01 0.00 0.00 64.34 63.80 3a1z n VAL 139 Cb 0.00 -1.75 -0.07 0.00 -0.91 0.00 0.00 33.84 31.12 3a1z n VAL 139 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3a1z s GLN 140 N 0.12 4.27 -0.03 5.55 0.74 -1.26 -0.70 119.66 128.35 3a1z s GLN 140 Ca 0.70 0.31 0.04 0.00 0.05 0.00 0.00 55.36 56.46 3a1z s GLN 140 Cb -0.58 -3.47 -0.00 0.00 1.10 0.00 0.00 33.01 30.06 3a1z s GLN 140 CO 0.44 0.09 -0.14 -1.01 -0.55 0.00 0.00 175.29 174.11 3a1z s HIS 141 N 0.89 1.35 0.41 1.67 3.76 0.47 0.39 115.29 124.23 3a1z s HIS 141 Ca 0.22 -0.34 -0.25 0.00 -0.15 0.00 0.00 55.06 54.55 3a1z s HIS 141 Cb -0.15 -0.91 -0.08 0.00 1.11 0.00 0.00 32.58 32.55 3a1z s HIS 141 CO 0.08 -0.10 1.17 -0.06 -0.85 0.00 0.00 174.74 174.98 3a1z s PHE 142 N -0.03 3.03 -0.33 1.40 0.08 -1.26 -0.61 117.98 120.26 3a1z s PHE 142 Ca -0.01 1.55 0.02 0.00 0.12 0.00 0.00 56.93 58.61 3a1z s PHE 142 Cb -0.09 -3.39 0.10 0.00 -0.57 0.00 0.00 43.02 39.07 3a1z s PHE 142 CO 0.01 -1.35 0.07 -1.21 -0.10 0.00 0.00 175.22 172.63 3a1z s GLU 143 N -2.37 1.19 -0.15 0.44 2.02 -0.01 -4.44 118.70 115.38 3a1z s GLU 143 Ca 0.58 -1.57 -0.29 0.00 0.02 0.00 0.00 54.97 53.71 3a1z s GLU 143 Cb -0.30 -2.74 -0.04 0.00 0.10 0.00 0.00 34.13 31.14 3a1z s GLU 143 CO 0.38 -0.96 1.76 0.08 0.02 0.00 0.00 175.26 176.54 3a1z s VAL 144 N 1.17 3.47 1.05 2.63 1.01 -1.26 -2.55 120.40 125.93 3a1z s VAL 144 Ca 0.10 0.54 -0.16 0.00 0.00 0.00 0.00 61.98 62.47 3a1z s VAL 144 Cb -0.18 -3.46 0.22 0.00 0.00 0.00 0.00 36.38 32.96 3a1z s VAL 144 CO -0.15 -0.17 1.14 -1.10 0.00 0.00 0.00 175.10 174.83 3a1z s GLN 145 N 4.76 -0.03 0.24 2.72 -0.21 -0.90 -4.95 119.66 121.28 3a1z s GLN 145 Ca 0.78 0.10 -0.31 0.00 0.02 0.00 0.00 55.36 55.95 3a1z s GLN 145 Cb -0.30 -1.72 -0.13 0.00 1.00 0.00 0.00 33.01 31.86 3a1z s GLN 145 CO 0.32 -2.95 1.57 -2.30 -2.12 0.00 0.00 175.29 169.80 3a1z n PRO 146 N -4.25 2.45 -2.16 2.91 -0.02 -1.26 -4.70 135.00 127.96 3a1z n PRO 146 Ca 0.10 0.88 -0.28 0.00 -2.02 0.00 0.00 63.50 62.18 3a1z n PRO 146 Cb 0.59 -2.63 0.05 0.00 -0.02 0.00 0.00 33.50 31.49 3a1z n PRO 146 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3a1z s GLU 147 N 0.03 2.62 0.00 -0.52 -1.05 -1.26 -4.56 118.70 113.96 3a1z s GLU 147 Ca 0.69 0.07 0.01 0.00 -0.15 0.00 0.00 54.97 55.59 3a1z s GLU 147 Cb -0.57 -2.15 -0.01 0.00 -0.44 0.00 0.00 34.13 30.97 3a1z s GLU 147 CO 0.44 -1.02 -0.04 0.95 0.95 0.00 0.00 175.26 176.55 3a1z s THR 148 N -3.21 0.31 -0.10 1.83 -4.23 -0.25 -4.99 115.64 105.01 3a1z s THR 148 Ca 0.57 -0.31 0.01 0.00 -1.18 0.00 0.00 61.69 60.78 3a1z s THR 148 Cb -0.11 -0.29 -0.02 0.00 1.34 0.00 0.00 72.50 73.42 3a1z s THR 148 CO 0.47 -0.00 -0.11 0.12 -0.54 0.00 0.00 174.62 174.56 3a1z s PHE 149 N -0.31 2.84 -0.08 3.99 5.36 -1.26 -1.37 117.98 127.14 3a1z s PHE 149 Ca -0.01 -0.31 0.03 0.00 -0.96 0.00 0.00 56.93 55.68 3a1z s PHE 149 Cb -0.03 -1.77 -0.02 0.00 -0.34 0.00 0.00 43.02 40.86 3a1z s PHE 149 CO -0.00 0.04 -0.18 0.99 -1.46 0.00 0.00 175.22 174.61 3a1z s THR 150 N -0.20 2.67 -1.03 0.12 2.01 0.52 -4.98 115.64 114.75 3a1z s THR 150 Ca 0.01 -0.83 -0.18 0.00 0.31 0.00 0.00 61.69 61.00 3a1z s THR 150 Cb -0.13 -2.05 0.13 0.00 0.01 0.00 0.00 72.50 70.46 3a1z s THR 150 CO 0.03 0.56 1.27 0.00 -0.69 0.00 0.00 174.62 175.79 3a1z h GLU 152 N 8.49 0.76 -2.15 0.00 5.08 -1.15 -3.46 114.58 122.15 3a1z h GLU 152 Ca 0.22 -0.58 -0.03 0.00 -1.00 0.00 0.00 59.36 57.97 3a1z h GLU 152 Cb 0.98 0.11 -0.22 0.00 0.50 0.00 0.00 28.75 30.11 3a1z h GLU 152 CO 1.20 1.20 -0.01 0.45 -1.00 0.00 0.00 179.01 180.84 3a1z s SER 153 N -6.97 -0.79 0.00 1.42 0.15 0.48 -4.97 113.70 103.02 3a1z s SER 153 Ca -0.11 1.36 0.19 0.00 0.70 0.00 0.00 55.95 58.09 3a1z s SER 153 Cb 0.08 1.28 0.25 0.00 -1.71 0.00 0.00 66.02 65.92 3a1z s SER 153 CO 0.89 -0.23 1.20 2.30 1.20 0.00 0.00 173.24 178.60 3a1z n ILE 154 N 3.74 0.24 -4.58 6.45 -5.35 -1.26 0.19 119.36 118.80 3a1z n ILE 154 Ca -0.18 -0.62 0.00 0.00 -0.27 0.00 0.00 62.75 61.68 3a1z n ILE 154 Cb 0.57 1.19 0.00 0.00 -1.74 0.00 0.00 39.64 39.66 3a1z n ILE 154 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a1z n GLY 155 N 1.14 1.12 3.08 3.28 0.00 -1.19 -3.93 105.19 108.70 3a1z n GLY 155 Ca 0.14 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 3a1z n GLY 155 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a1z s GLU 156 N 0.00 2.48 0.74 1.61 2.02 -1.26 -5.03 118.70 119.26 3a1z s GLU 156 Ca 0.00 -2.50 -0.14 0.00 0.02 0.00 0.00 54.97 52.35 3a1z s GLU 156 Cb 0.00 -3.69 0.05 0.00 0.10 0.00 0.00 34.13 30.59 3a1z s GLU 156 CO 0.00 -1.16 1.16 -2.14 0.02 0.00 0.00 175.26 173.14 3a1z s PRO 157 N -0.02 2.16 -0.22 0.39 0.02 -1.26 -4.91 135.00 131.16 3a1z s PRO 157 Ca 0.16 1.55 0.01 0.00 0.02 0.00 0.00 61.00 62.75 3a1z s PRO 157 Cb -0.21 -1.86 0.03 0.00 0.02 0.00 0.00 34.50 32.49 3a1z s PRO 157 CO -0.03 -1.77 -0.13 0.15 -0.33 0.00 0.00 177.00 174.88 3a1z s LYS 158 N -4.19 2.73 -0.13 5.54 -0.14 0.24 -4.97 119.74 118.82 3a1z s LYS 158 Ca 0.70 -1.02 0.01 0.00 -1.36 0.00 0.00 55.97 54.30 3a1z s LYS 158 Cb -0.24 -2.80 -0.00 0.00 -1.68 0.00 0.00 37.83 33.11 3a1z s LYS 158 CO 0.47 -0.37 -0.17 0.42 -0.76 0.00 0.00 175.35 174.94 3a1z s ILE 159 N 1.25 2.59 0.15 2.17 1.09 -1.26 -0.17 121.20 127.02 3a1z s ILE 159 Ca -0.01 -0.81 0.10 0.00 -1.10 0.00 0.00 60.65 58.83 3a1z s ILE 159 Cb -0.16 -2.06 -0.04 0.00 -1.06 0.00 0.00 42.46 39.13 3a1z s ILE 159 CO -0.08 0.53 -0.22 -0.89 -0.10 0.00 0.00 174.94 174.18 3a1z s THR 160 N 0.56 2.52 0.07 2.92 2.01 0.07 -4.99 115.64 118.80 3a1z s THR 160 Ca -0.10 -1.76 0.09 0.00 0.31 0.00 0.00 61.69 60.22 3a1z s THR 160 Cb -0.16 -2.17 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 3a1z s THR 160 CO 0.04 0.02 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.00 3a1z s LEU 161 N -2.32 2.40 0.77 4.42 1.43 -1.26 -2.09 118.68 122.02 3a1z s LEU 161 Ca 0.18 -0.56 -0.15 0.00 -1.03 0.00 0.00 54.13 52.56 3a1z s LEU 161 Cb -0.09 -1.38 0.01 0.00 0.03 0.00 0.00 46.19 44.76 3a1z s LEU 161 CO 0.09 0.23 0.81 -1.54 0.23 0.00 0.00 176.35 176.18 3a1z n SER 162 N 1.44 -0.24 0.13 2.29 3.41 -0.69 -4.76 113.62 115.19 3a1z n SER 162 Ca -0.17 0.58 0.02 0.00 -0.26 0.00 0.00 58.87 59.05 3a1z n SER 162 Cb 0.52 -1.34 0.01 0.00 -0.26 0.00 0.00 64.21 63.14 3a1z n SER 162 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3a1z h SER 163 N -0.59 0.00 -0.18 4.04 4.64 -1.97 -1.49 113.55 117.99 3a1z h SER 163 Ca -0.46 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 60.91 3a1z h SER 163 Cb 1.32 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.34 3a1z h SER 163 CO 0.44 0.52 -0.40 -2.24 -0.87 0.00 0.00 176.83 174.28 3a1z h ASP 164 N 0.00 -1.27 -0.41 4.97 2.03 -1.96 0.20 116.42 119.98 3a1z h ASP 164 Ca -0.02 0.18 -0.10 0.00 -0.73 0.00 0.00 57.03 56.36 3a1z h ASP 164 Cb 1.41 0.53 -0.02 0.00 -0.83 0.00 0.00 39.33 40.42 3a1z h ASP 164 CO 0.07 -0.40 -0.11 0.25 -1.03 0.00 0.00 179.24 178.01 3a1z h LEU 165 N -0.44 0.86 -0.26 0.15 6.46 -1.68 -0.54 115.31 119.84 3a1z h LEU 165 Ca 0.09 -0.27 -0.01 0.00 -0.12 0.00 0.00 57.88 57.57 3a1z h LEU 165 Cb 0.61 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 3a1z h LEU 165 CO -0.42 0.99 0.12 -1.28 -0.62 0.00 0.00 178.44 177.23 3a1z h SER 166 N 0.77 0.35 -0.30 1.25 0.87 -0.99 0.12 113.55 115.63 3a1z h SER 166 Ca 0.13 -0.13 -0.14 0.00 -1.23 0.00 0.00 61.79 60.41 3a1z h SER 166 Cb 0.63 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 3a1z h SER 166 CO 0.04 0.38 -0.34 0.28 -0.53 0.00 0.00 176.83 176.67 3a1z h SER 167 N 0.29 0.88 -0.48 6.23 0.02 -0.38 -0.66 113.55 119.44 3a1z h SER 167 Ca 0.09 -0.38 0.04 0.00 -0.84 0.00 0.00 61.79 60.70 3a1z h SER 167 Cb 0.13 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.39 3a1z h SER 167 CO -0.01 1.13 0.26 0.00 -1.14 0.00 0.00 176.83 177.07 3a1z h ALA 168 N 0.92 0.62 -0.57 3.77 0.00 -0.82 0.59 119.26 123.77 3a1z h ALA 168 Ca 0.07 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3a1z h ALA 168 Cb 0.90 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3a1z h ALA 168 CO 0.08 -0.08 0.10 -0.07 0.00 0.00 0.00 179.25 179.28 3a1z h LEU 169 N 0.51 0.89 0.44 0.00 3.38 -0.66 -0.91 115.31 118.95 3a1z h LEU 169 Ca 0.21 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3a1z h LEU 169 Cb 0.09 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3a1z h LEU 169 CO -0.13 0.92 -0.49 -0.33 0.09 0.00 0.00 178.44 178.50 3a1z h GLU 170 N 0.83 -0.91 -0.53 1.13 5.08 -0.01 -0.94 114.58 119.23 3a1z h GLU 170 Ca 0.17 0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.60 3a1z h GLU 170 Cb 0.40 0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 3a1z h GLU 170 CO 0.01 -0.61 0.35 1.57 -1.00 0.00 0.00 179.01 179.33 3a1z h LYS 171 N -0.94 0.69 -0.36 2.33 2.10 0.35 -2.97 116.57 117.77 3a1z h LYS 171 Ca -0.05 -0.04 0.03 0.00 -2.00 0.00 0.00 60.65 58.59 3a1z h LYS 171 Cb 0.84 -0.16 -0.03 0.00 -0.90 0.00 0.00 32.23 31.98 3a1z h LYS 171 CO -0.09 0.46 0.16 0.22 -2.00 0.00 0.00 179.45 178.20 3a1z h ASP 172 N 0.71 0.22 0.00 7.07 3.58 -0.98 -2.07 116.42 124.95 3a1z h ASP 172 Ca 0.20 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.67 3a1z h ASP 172 Cb -0.07 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 40.96 3a1z h ASP 172 CO -0.05 0.17 0.00 -1.54 -2.88 0.00 0.00 179.24 174.94 3a1z n SER 173 N -4.96 0.16 0.00 2.28 3.41 -0.37 -4.56 113.62 109.58 3a1z n SER 173 Ca 0.01 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 3a1z n SER 173 Cb 0.10 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 3a1z n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a1z n GLY 174 N 0.42 1.98 3.91 5.00 0.00 -0.80 -5.06 105.19 110.64 3a1z n GLY 174 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.12 3a1z n GLY 174 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a1z n ASN 175 N 0.00 0.00 0.00 1.61 3.02 -1.08 -4.70 115.26 114.11 3a1z n ASN 175 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3a1z n ASN 175 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3a1z n ASN 175 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3a1z n PRO 180 N 0.00 0.00 -1.48 3.52 -0.04 -1.26 -4.45 135.00 131.29 3a1z n PRO 180 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 3a1z n PRO 180 Cb 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.47 3a1z n PRO 180 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3a1z n ASP 181 N 0.00 -0.85 0.00 3.54 5.75 -1.26 -4.98 116.55 118.75 3a1z n ASP 181 Ca 0.00 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 53.17 3a1z n ASP 181 Cb 0.00 0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 3a1z n ASP 181 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 3a1z n MET 182 N -0.47 0.00 -4.52 0.11 1.56 -1.26 -4.60 117.12 107.94 3a1z n MET 182 Ca -0.17 0.00 -0.25 0.00 -0.27 0.00 0.00 57.70 57.01 3a1z n MET 182 Cb 0.65 -0.31 -0.10 0.00 2.15 0.00 0.00 33.22 35.61 3a1z n MET 182 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 3a1z s GLU 183 N 0.00 1.77 0.01 2.12 2.56 -1.26 -3.02 118.70 120.88 3a1z s GLU 183 Ca 0.00 -1.88 0.24 0.00 0.00 0.00 0.00 54.97 53.32 3a1z s GLU 183 Cb 0.00 -1.70 0.23 0.00 2.00 0.00 0.00 34.13 34.65 3a1z s GLU 183 CO 0.00 0.19 1.21 -0.35 -0.56 0.00 0.00 175.26 175.75 3a1z n PRO 184 N -0.73 0.05 0.16 4.30 -0.04 -1.26 -4.68 135.00 132.79 3a1z n PRO 184 Ca -0.05 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.48 3a1z n PRO 184 Cb 0.62 -1.52 0.40 0.00 -0.04 0.00 0.00 33.50 32.96 3a1z n PRO 184 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 3a1z n LEU 185 N -1.58 0.38 -0.17 1.53 -0.00 -1.26 0.15 117.00 116.05 3a1z n LEU 185 Ca 0.05 0.59 -0.01 0.00 -0.00 0.00 0.00 56.01 56.64 3a1z n LEU 185 Cb 0.35 -0.57 0.08 0.00 -0.00 0.00 0.00 43.42 43.28 3a1z n LEU 185 CO 0.38 -0.72 0.89 0.50 -0.00 0.00 0.00 177.39 178.44 3a1z h LYS 186 N 0.00 0.21 0.00 1.47 3.64 -1.79 -1.42 116.57 118.68 3a1z h LYS 186 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3a1z h LYS 186 Cb 0.46 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3a1z h LYS 186 CO 0.00 0.14 0.00 1.79 -2.27 0.00 0.00 179.45 179.11 3a1z h THR 187 N 0.21 0.00 -0.02 1.00 1.35 0.11 -2.54 112.91 113.02 3a1z h THR 187 Ca 0.27 -0.44 -0.09 0.00 -0.55 0.00 0.00 66.41 65.61 3a1z h THR 187 Cb 0.40 1.33 0.01 0.00 -1.73 0.00 0.00 68.15 68.16 3a1z h THR 187 CO -0.38 0.00 -0.34 0.25 -0.25 0.00 0.00 175.52 174.80 3a1z h LEU 188 N 0.00 0.33 -0.52 3.87 5.85 -1.30 0.30 115.31 123.84 3a1z h LEU 188 Ca 0.00 -0.73 0.10 0.00 0.84 0.00 0.00 57.88 58.09 3a1z h LEU 188 Cb 0.60 -0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.43 3a1z h LEU 188 CO 0.00 1.02 -0.15 -0.09 -0.34 0.00 0.00 178.44 178.88 3a1z h ARG 189 N -0.32 -0.02 0.45 1.25 2.43 -1.38 0.41 114.38 117.20 3a1z h ARG 189 Ca -0.04 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3a1z h ARG 189 Cb 1.05 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 3a1z h ARG 189 CO 0.07 -0.01 -0.46 0.37 -1.51 0.00 0.00 179.97 178.43 3a1z h GLN 190 N -0.02 -0.88 -0.40 0.20 4.15 -1.37 -2.75 115.11 114.04 3a1z h GLN 190 Ca 0.25 0.06 0.08 0.00 0.77 0.00 0.00 58.65 59.81 3a1z h GLN 190 Cb 0.40 0.20 -0.09 0.00 0.21 0.00 0.00 27.48 28.21 3a1z h GLN 190 CO -0.55 -0.59 -0.20 0.00 -1.93 0.00 0.00 178.83 175.56 3a1z h ALA 191 N -0.66 0.09 -0.16 3.38 0.00 0.29 -2.28 119.26 119.93 3a1z h ALA 191 Ca -0.05 0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3a1z h ALA 191 Cb 0.81 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 3a1z h ALA 191 CO -0.07 -0.57 -0.17 0.00 0.00 0.00 0.00 179.25 178.45 3a1z h ALA 192 N 1.14 -0.08 -0.26 0.00 0.00 -0.13 -1.14 119.26 118.79 3a1z h ALA 192 Ca 0.19 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.22 3a1z h ALA 192 Cb 0.43 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 3a1z h ALA 192 CO -0.48 -0.61 -0.09 0.82 0.00 0.00 0.00 179.25 178.89 3a1z h ILE 193 N -0.20 0.68 -0.44 0.00 1.08 -1.15 0.02 117.51 117.50 3a1z h ILE 193 Ca 0.11 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.56 3a1z h ILE 193 Cb 0.36 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 34.77 3a1z h ILE 193 CO -0.27 0.00 0.20 0.00 -0.69 0.00 0.00 178.15 177.39 3a1z h LYS 195 N 0.62 0.64 -0.50 0.00 3.11 -0.47 0.38 116.57 120.36 3a1z h LYS 195 Ca 0.16 -0.30 -0.10 0.00 -2.81 0.00 0.00 60.65 57.59 3a1z h LYS 195 Cb 0.09 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.30 3a1z h LYS 195 CO -0.02 0.89 -0.08 0.82 -2.81 0.00 0.00 179.45 178.26 3a1z h ILE 196 N 0.39 1.27 -0.69 2.00 2.04 -0.37 -1.38 117.51 120.76 3a1z h ILE 196 Ca 0.06 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.71 3a1z h ILE 196 Cb 0.73 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 3a1z h ILE 196 CO 0.05 0.42 0.39 0.00 0.00 0.00 0.00 178.15 179.01 3a1z h ALA 197 N 0.91 0.88 -0.31 1.87 0.00 0.69 -1.47 119.26 121.83 3a1z h ALA 197 Ca 0.13 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3a1z h ALA 197 Cb 0.62 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3a1z h ALA 197 CO 0.04 0.38 -0.01 1.49 0.00 0.00 0.00 179.25 181.16 3a1z h GLU 198 N 0.95 0.08 -0.84 0.00 4.81 0.09 -0.19 114.58 119.48 3a1z h GLU 198 Ca 0.24 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.53 3a1z h GLU 198 Cb 0.02 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 3a1z h GLU 198 CO -0.04 0.05 0.55 0.00 -0.73 0.00 0.00 179.01 178.84 3a1z h ALA 199 N 1.27 1.57 -0.25 2.92 0.00 -0.66 -1.33 119.26 122.79 3a1z h ALA 199 Ca 0.15 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3a1z h ALA 199 Cb 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3a1z h ALA 199 CO -0.26 0.30 0.05 0.00 0.00 0.00 0.00 179.25 179.35 3a1z h TYR 201 N 0.22 0.00 -0.31 0.00 0.05 -0.69 -1.10 116.97 115.14 3a1z h TYR 201 Ca 0.08 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.73 3a1z h TYR 201 Cb 0.30 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 3a1z h TYR 201 CO 0.02 0.00 -0.32 0.82 -1.05 0.00 0.00 178.16 177.62 3a1z h ILE 202 N 0.00 1.28 0.00 -2.88 2.04 -1.03 -1.45 117.51 115.46 3a1z h ILE 202 Ca 0.00 -1.46 -0.12 0.00 1.00 0.00 0.00 64.86 64.28 3a1z h ILE 202 Cb 0.51 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 3a1z h ILE 202 CO 0.00 0.47 -1.17 0.77 0.00 0.00 0.00 178.15 178.22 3a1z h SER 203 N 0.57 0.00 -0.35 1.72 4.64 -1.21 0.69 113.55 119.62 3a1z h SER 203 Ca 0.06 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3a1z h SER 203 Cb 0.83 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.91 3a1z h SER 203 CO 0.07 0.43 0.20 0.58 -0.87 0.00 0.00 176.83 177.25 3a1z h VAL 204 N 0.00 1.13 -0.25 0.95 2.07 -1.24 -2.54 116.25 116.35 3a1z h VAL 204 Ca -0.10 -0.30 -0.11 0.00 0.82 0.00 0.00 66.70 67.00 3a1z h VAL 204 Cb 1.42 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 3a1z h VAL 204 CO 0.04 0.13 -0.30 0.58 0.02 0.00 0.00 177.57 178.03 3a1z h VAL 205 N 0.45 1.28 -1.01 2.57 2.07 -1.21 0.61 116.25 121.00 3a1z h VAL 205 Ca 0.12 -1.38 0.26 0.00 0.82 0.00 0.00 66.70 66.52 3a1z h VAL 205 Cb 0.02 1.42 -0.12 0.00 -1.52 0.00 0.00 31.29 31.09 3a1z h VAL 205 CO -0.02 0.44 0.61 -0.74 0.02 0.00 0.00 177.57 177.87 3a1z h HIS 206 N 0.45 0.95 0.10 1.57 6.17 -0.59 0.24 115.15 124.03 3a1z h HIS 206 Ca 0.06 0.03 -0.28 0.00 0.71 0.00 0.00 60.37 60.89 3a1z h HIS 206 Cb 0.75 -0.27 -0.01 0.00 2.52 0.00 0.00 27.41 30.40 3a1z h HIS 206 CO 0.03 0.04 -1.33 -0.91 0.71 0.00 0.00 177.93 176.46 3a1z h ASN 207 N 0.53 0.32 -0.39 3.26 2.35 -0.51 0.84 115.58 121.97 3a1z h ASN 207 Ca 0.65 -0.38 0.01 0.00 -0.55 0.00 0.00 56.30 56.03 3a1z h ASN 207 Cb 1.33 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.57 3a1z h ASN 207 CO -0.46 1.31 0.24 0.40 -1.65 0.00 0.00 177.43 177.27 3a1z h ILE 208 N 0.06 1.06 0.00 2.81 2.04 -0.95 -1.90 117.51 120.62 3a1z h ILE 208 Ca -0.16 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 3a1z h ILE 208 Cb 1.96 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 3a1z h ILE 208 CO 0.17 0.09 -0.17 -0.09 0.00 0.00 0.00 178.15 178.15 3a1z h ARG 209 N 0.49 0.00 -0.10 2.37 2.43 -0.13 -1.77 114.38 117.68 3a1z h ARG 209 Ca 0.15 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.19 3a1z h ARG 209 Cb -0.02 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3a1z h ARG 209 CO -0.06 0.17 -0.46 0.00 -1.51 0.00 0.00 179.97 178.12 3a1z h ALA 210 N 1.83 0.19 -0.13 2.80 0.00 -0.30 -2.94 119.26 120.70 3a1z h ALA 210 Ca -0.00 -0.49 -0.19 0.00 0.00 0.00 0.00 54.91 54.23 3a1z h ALA 210 Cb 0.36 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3a1z h ALA 210 CO 0.02 0.34 -0.70 0.66 0.00 0.00 0.00 179.25 179.57 3a1z h SER 211 N 0.06 0.66 -1.14 0.00 4.64 -0.79 0.30 113.55 117.29 3a1z h SER 211 Ca -0.03 -0.41 0.34 0.00 -0.47 0.00 0.00 61.79 61.22 3a1z h SER 211 Cb 1.10 -0.19 -0.12 0.00 -0.31 0.00 0.00 62.40 62.88 3a1z h SER 211 CO 0.09 1.17 0.71 0.00 -0.87 0.00 0.00 176.83 177.93 3a1z h ALA 212 N 0.83 2.35 0.00 5.18 0.00 -1.34 0.75 119.26 127.03 3a1z h ALA 212 Ca -0.03 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3a1z h ALA 212 Cb 1.28 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 3a1z h ALA 212 CO 0.13 -0.90 -0.36 0.87 0.00 0.00 0.00 179.25 178.99 3a1z h LYS 213 N 0.26 0.00 0.00 0.00 1.57 -0.77 -3.26 116.57 114.37 3a1z h LYS 213 Ca 0.72 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.50 3a1z h LYS 213 Cb 1.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.27 3a1z h LYS 213 CO -0.42 0.36 -0.83 -0.89 -0.57 0.00 0.00 179.45 177.11 3a1z n ILE 214 N -3.27 0.12 -4.41 1.86 2.08 0.23 -4.91 119.36 111.06 3a1z n ILE 214 Ca 0.02 -0.15 -0.21 0.00 0.56 0.00 0.00 62.75 62.97 3a1z n ILE 214 Cb 0.62 0.28 -0.16 0.00 -0.75 0.00 0.00 39.64 39.64 3a1z n ILE 214 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3a1z s LEU 215 N -3.57 1.75 0.38 1.39 1.43 0.75 -5.08 118.68 115.73 3a1z s LEU 215 Ca 0.07 -0.20 -0.27 0.00 -1.03 0.00 0.00 54.13 52.70 3a1z s LEU 215 Cb 0.15 -0.58 -0.09 0.00 0.03 0.00 0.00 46.19 45.70 3a1z s LEU 215 CO 0.77 0.06 1.24 -2.84 0.23 0.00 0.00 176.35 175.81 3a1z s PRO 216 N 0.26 4.14 0.56 1.29 0.02 -1.26 -4.63 135.00 135.38 3a1z s PRO 216 Ca -0.04 2.02 0.41 0.00 0.02 0.00 0.00 61.00 63.40 3a1z s PRO 216 Cb -0.10 -2.83 1.55 0.00 0.02 0.00 0.00 34.50 33.15 3a1z s PRO 216 CO 0.01 -0.30 1.66 0.00 -0.33 0.00 0.00 177.00 178.03 3a1z h ALA 217 N 2.91 3.35 0.01 -1.55 0.00 0.71 0.30 119.26 125.00 3a1z h ALA 217 Ca -0.49 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 3a1z h ALA 217 Cb 1.23 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3a1z h ALA 217 CO 0.63 -1.85 -0.01 0.66 0.00 0.00 0.00 179.25 178.69 3a1z h SER 218 N 0.00 -0.01 0.00 0.00 4.64 -1.88 -2.90 113.55 113.40 3a1z h SER 218 Ca 0.69 -0.39 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3a1z h SER 218 Cb 2.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.99 3a1z h SER 218 CO -0.01 0.38 0.34 -1.20 -0.87 0.00 0.00 176.83 175.47 3a1z n SER 219 N -4.91 0.00 -0.83 4.97 7.64 0.11 0.29 113.62 120.89 3a1z n SER 219 Ca -0.08 0.03 0.07 0.00 1.01 0.00 0.00 58.87 59.90 3a1z n SER 219 Cb 0.21 -0.03 0.22 0.00 -1.01 0.00 0.00 64.21 63.60 3a1z n SER 219 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3a1z n PHE 220 N -0.91 0.79 0.00 1.43 3.01 -1.09 -4.90 117.46 115.79 3a1z n PHE 220 Ca 0.00 -0.71 0.00 0.00 1.01 0.00 0.00 57.45 57.75 3a1z n PHE 220 Cb 0.34 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 3a1z n PHE 220 CO 0.00 0.00 0.00 1.97 1.01 0.00 0.00 176.76 179.74 3a1z n PHE 221 N -0.01 0.00 0.83 1.38 1.16 0.85 -4.41 117.46 117.26 3a1z n PHE 221 Ca 0.18 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 55.86 3a1z n PHE 221 Cb 0.71 0.00 0.08 0.00 -1.61 0.00 0.00 39.48 38.66 3a1z n PHE 221 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98