#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1z s LEU 6 N 0.00 2.59 -0.07 -1.96 1.02 -1.26 -4.69 118.68 114.30 3a1z s LEU 6 Ca 0.00 -1.08 -0.05 0.00 0.02 0.00 0.00 54.13 53.02 3a1z s LEU 6 Cb 0.00 -0.90 -0.04 0.00 0.02 0.00 0.00 46.19 45.27 3a1z s LEU 6 CO 0.00 -0.11 0.16 -1.59 0.02 0.00 0.00 176.35 174.83 3a1z s LYS 7 N -3.59 3.44 0.19 1.70 -2.85 -1.26 -5.06 119.74 112.30 3a1z s LYS 7 Ca 0.28 -0.21 -0.23 0.00 -1.00 0.00 0.00 55.97 54.82 3a1z s LYS 7 Cb -0.01 -3.15 -0.08 0.00 -2.06 0.00 0.00 37.83 32.52 3a1z s LYS 7 CO 0.12 0.74 0.75 -2.14 0.10 0.00 0.00 175.35 174.92 3a1z s PRO 8 N -1.40 4.42 0.36 1.78 0.02 -1.26 -4.90 135.00 134.01 3a1z s PRO 8 Ca 0.20 1.03 0.08 0.00 0.02 0.00 0.00 61.00 62.32 3a1z s PRO 8 Cb -0.12 -3.09 -0.07 0.00 0.02 0.00 0.00 34.50 31.24 3a1z s PRO 8 CO 0.10 0.50 -0.03 0.00 -0.33 0.00 0.00 177.00 177.23 3a1z s LYS 10 N -3.69 4.37 0.11 0.00 -0.14 -1.26 0.26 119.74 119.38 3a1z s LYS 10 Ca 0.33 1.18 -0.35 0.00 -1.36 0.00 0.00 55.97 55.77 3a1z s LYS 10 Cb 0.06 -3.55 -0.17 0.00 -1.68 0.00 0.00 37.83 32.49 3a1z s LYS 10 CO 0.16 -0.28 1.13 -0.11 -0.76 0.00 0.00 175.35 175.49 3a1z n LEU 11 N 4.98 0.90 0.00 3.17 0.00 -1.26 0.12 117.00 124.92 3a1z n LEU 11 Ca 0.06 1.14 0.00 0.00 0.00 0.00 0.00 56.01 57.21 3a1z n LEU 11 Cb 0.49 -1.11 0.00 0.00 0.00 0.00 0.00 43.42 42.80 3a1z n LEU 11 CO 0.50 -1.54 0.00 0.61 0.00 0.00 0.00 177.39 176.96 3a1z n GLY 12 N 2.02 3.05 3.57 -3.96 0.00 -1.26 -4.98 105.19 103.63 3a1z n GLY 12 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3a1z n GLY 12 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a1z s ASP 13 N -0.18 5.43 0.35 1.61 -1.08 0.12 -4.76 116.67 118.16 3a1z s ASP 13 Ca 0.00 -1.09 0.09 0.00 -0.52 0.00 0.00 52.55 51.03 3a1z s ASP 13 Cb 0.00 -2.57 0.65 0.00 -1.46 0.00 0.00 42.92 39.54 3a1z s ASP 13 CO 0.00 -2.53 1.81 0.24 0.52 0.00 0.00 175.17 175.21 3a1z h MET 14 N 10.54 0.17 0.00 4.34 2.86 -1.86 -2.01 114.93 128.97 3a1z h MET 14 Ca 0.16 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.60 3a1z h MET 14 Cb 0.99 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.61 3a1z h MET 14 CO 1.26 0.46 -0.66 0.37 1.06 0.00 0.00 176.91 179.40 3a1z h GLN 15 N 0.16 0.00 -0.12 1.72 5.75 -1.85 -2.94 115.11 117.82 3a1z h GLN 15 Ca 0.02 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 3a1z h GLN 15 Cb 0.61 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.16 3a1z h GLN 15 CO 0.04 0.66 0.01 0.00 -2.65 0.00 0.00 178.83 176.89 3a1z h LEU 17 N -0.04 -0.75 -0.63 0.00 4.07 -1.29 -1.90 115.31 114.76 3a1z h LEU 17 Ca 0.04 0.17 0.03 0.00 0.08 0.00 0.00 57.88 58.20 3a1z h LEU 17 Cb 0.33 0.40 -0.04 0.00 1.08 0.00 0.00 40.66 42.42 3a1z h LEU 17 CO 0.00 -0.25 0.38 0.28 -1.08 0.00 0.00 178.44 177.78 3a1z h SER 18 N -0.13 0.61 -0.25 -0.43 0.02 -1.52 -0.57 113.55 111.28 3a1z h SER 18 Ca 0.21 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.09 3a1z h SER 18 Cb 0.46 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 3a1z h SER 18 CO -0.53 0.42 -0.08 -1.28 -1.14 0.00 0.00 176.83 174.22 3a1z h SER 19 N 0.74 0.61 -0.00 3.07 0.87 -1.28 -0.40 113.55 117.16 3a1z h SER 19 Ca 0.26 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 3a1z h SER 19 Cb 0.05 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 3a1z h SER 19 CO -0.12 0.74 -0.04 0.00 -0.53 0.00 0.00 176.83 176.88 3a1z h ALA 20 N 1.33 0.01 -0.45 6.23 0.00 -0.64 -0.49 119.26 125.25 3a1z h ALA 20 Ca 0.11 -0.38 0.09 0.00 0.00 0.00 0.00 54.91 54.73 3a1z h ALA 20 Cb 0.50 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.20 3a1z h ALA 20 CO 0.03 -0.10 -0.12 1.15 0.00 0.00 0.00 179.25 180.21 3a1z h THR 21 N -0.68 0.54 -0.32 0.00 2.02 -1.09 0.96 112.91 114.35 3a1z h THR 21 Ca -0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 3a1z h THR 21 Cb 0.77 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 3a1z h THR 21 CO 0.01 0.00 0.15 -0.08 0.37 0.00 0.00 175.52 175.97 3a1z h GLU 22 N -0.01 0.31 -0.48 6.66 4.81 -1.07 -1.12 114.58 123.68 3a1z h GLU 22 Ca 0.22 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.34 3a1z h GLU 22 Cb 0.34 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 3a1z h GLU 22 CO -0.47 0.20 -0.07 1.96 -0.73 0.00 0.00 179.01 179.91 3a1z h GLN 23 N 0.32 0.85 -0.66 1.92 4.20 -0.21 -1.14 115.11 120.39 3a1z h GLN 23 Ca 0.13 -0.27 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 3a1z h GLN 23 Cb 0.05 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 3a1z h GLN 23 CO -0.10 0.89 0.30 0.35 -0.67 0.00 0.00 178.83 179.61 3a1z h PHE 24 N 0.78 0.97 -0.55 2.96 3.57 -0.51 -0.95 116.94 123.20 3a1z h PHE 24 Ca 0.14 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 3a1z h PHE 24 Cb 0.56 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 3a1z h PHE 24 CO 0.03 0.74 0.09 -0.07 -2.23 0.00 0.00 178.31 176.87 3a1z h LEU 25 N 0.92 0.88 0.46 0.59 3.38 -0.73 -1.48 115.31 119.32 3a1z h LEU 25 Ca 0.22 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3a1z h LEU 25 Cb 0.15 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3a1z h LEU 25 CO -0.02 0.91 -0.22 -0.08 0.09 0.00 0.00 178.44 179.11 3a1z h GLU 26 N 0.81 -0.59 0.08 1.13 4.81 -1.02 -2.83 114.58 116.96 3a1z h GLU 26 Ca 0.17 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.45 3a1z h GLU 26 Cb 0.40 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 3a1z h GLU 26 CO 0.01 -0.33 -0.11 0.87 -0.73 0.00 0.00 179.01 178.71 3a1z h LYS 27 N -0.75 -0.22 -0.70 1.92 1.57 -1.17 -2.89 116.57 114.34 3a1z h LYS 27 Ca -0.06 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3a1z h LYS 27 Cb 0.54 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3a1z h LYS 27 CO 0.10 -0.15 0.00 0.25 -0.57 0.00 0.00 179.45 179.08 3a1z n THR 28 N -5.23 1.08 0.68 -0.16 -2.24 -0.56 -4.52 114.28 103.32 3a1z n THR 28 Ca -0.07 -0.60 0.07 0.00 -2.27 0.00 0.00 64.05 61.18 3a1z n THR 28 Cb 0.16 -0.25 0.35 0.00 -2.10 0.00 0.00 70.33 68.49 3a1z n THR 28 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3a1z n SER 29 N 0.34 0.00 -0.24 3.42 3.41 -1.07 0.86 113.62 120.34 3a1z n SER 29 Ca 0.12 0.01 0.07 0.00 -0.26 0.00 0.00 58.87 58.82 3a1z n SER 29 Cb 0.59 -0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 3a1z n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3a1z n LYS 30 N -1.24 1.84 0.00 4.33 5.02 -1.26 -0.90 118.16 125.95 3a1z n LYS 30 Ca 0.07 -0.55 0.00 0.00 -2.02 0.00 0.00 58.31 55.81 3a1z n LYS 30 Cb 0.10 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 3a1z n LYS 30 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a1z n GLY 31 N 1.19 1.00 2.90 0.72 0.00 0.25 -4.16 105.19 107.09 3a1z n GLY 31 Ca 0.05 -1.58 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.06 1.93 0.36 -0.61 1.01 -0.39 -4.87 121.20 116.57 3a1z s ILE 32 Ca 0.00 -2.40 0.11 0.00 0.00 0.00 0.00 60.65 58.36 3a1z s ILE 32 Cb 0.00 -2.40 0.33 0.00 0.01 0.00 0.00 42.46 40.40 3a1z s ILE 32 CO 0.00 -0.70 1.83 -0.65 0.00 0.00 0.00 174.94 175.42 3a1z h PRO 33 N 7.33 0.62 0.00 2.79 0.11 -1.93 0.21 132.00 141.13 3a1z h PRO 33 Ca -0.06 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3a1z h PRO 33 Cb 0.98 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3a1z h PRO 33 CO 0.54 0.41 0.00 0.00 -0.21 0.00 0.00 178.00 178.74 3a1z n GLN 34 N -4.61 0.24 -0.09 1.05 10.64 -1.26 -1.74 117.38 121.62 3a1z n GLN 34 Ca 0.20 0.11 0.03 0.00 -1.83 0.00 0.00 57.00 55.51 3a1z n GLN 34 Cb 0.58 -1.50 0.07 0.00 -0.86 0.00 0.00 30.24 28.54 3a1z n GLN 34 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3a1z n TYR 35 N -1.32 0.19 -3.88 2.61 4.01 0.03 -4.98 117.16 113.82 3a1z n TYR 35 Ca 0.09 -0.58 -0.27 0.00 -0.16 0.00 0.00 57.90 56.98 3a1z n TYR 35 Cb 0.17 -0.07 -0.00 0.00 -0.31 0.00 0.00 39.34 39.12 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 -0.31 -1.55 -4.41 7.72 2.03 -0.71 -4.91 116.55 114.42 3a1z n ASP 36 Ca 0.06 -1.01 -0.35 0.00 0.52 0.00 0.00 54.79 54.02 3a1z n ASP 36 Cb 0.38 -3.14 -0.13 0.00 -0.72 0.00 0.00 41.12 37.51 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 -3.82 3.72 0.47 5.18 1.01 -1.00 -4.76 121.20 122.00 3a1z s ILE 37 Ca 0.12 -0.39 -0.07 0.00 0.00 0.00 0.00 60.65 60.31 3a1z s ILE 37 Cb -0.05 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 3a1z s ILE 37 CO 0.88 0.44 0.80 0.26 0.00 0.00 0.00 174.94 177.31 3a1z s TRP 38 N 1.06 3.54 0.03 3.97 0.51 -1.26 -1.26 118.94 125.53 3a1z s TRP 38 Ca 0.01 0.91 -0.30 0.00 -2.12 0.00 0.00 56.10 54.60 3a1z s TRP 38 Cb -0.14 -2.37 -0.07 0.00 -0.81 0.00 0.00 33.47 30.08 3a1z s TRP 38 CO 0.01 -0.25 1.64 -2.14 -0.51 0.00 0.00 176.95 175.70 3a1z s PRO 39 N -4.51 4.20 0.00 4.98 0.02 -1.26 -4.01 135.00 134.42 3a1z s PRO 39 Ca 0.49 2.27 0.03 0.00 0.02 0.00 0.00 61.00 63.81 3a1z s PRO 39 Cb -0.10 -3.74 0.05 0.00 0.02 0.00 0.00 34.50 30.73 3a1z s PRO 39 CO 0.42 -0.76 0.80 0.44 -0.33 0.00 0.00 177.00 177.56 3a1z n ILE 40 N 4.98 0.42 -3.15 2.83 -5.35 -0.08 -4.55 119.36 114.46 3a1z n ILE 40 Ca 0.16 -0.71 0.04 0.00 -0.27 0.00 0.00 62.75 61.97 3a1z n ILE 40 Cb 0.41 0.83 -0.00 0.00 -1.74 0.00 0.00 39.64 39.14 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 -0.57 -1.26 0.33 7.28 -1.08 -0.93 -3.53 116.67 116.90 3a1z s ASP 41 Ca 0.05 0.35 -0.28 0.00 -0.52 0.00 0.00 52.55 52.15 3a1z s ASP 41 Cb 0.03 1.88 -0.09 0.00 -1.46 0.00 0.00 42.92 43.28 3a1z s ASP 41 CO 0.04 -0.23 1.13 -2.16 0.52 0.00 0.00 175.17 174.47 3a1z s PRO 42 N 2.87 4.42 -0.22 4.34 0.04 -1.26 -4.57 135.00 140.62 3a1z s PRO 42 Ca 0.15 1.81 -0.12 0.00 0.04 0.00 0.00 61.00 62.88 3a1z s PRO 42 Cb -0.10 -2.97 -0.05 0.00 0.04 0.00 0.00 34.50 31.42 3a1z s PRO 42 CO -0.23 0.01 0.23 -1.17 0.04 0.00 0.00 177.00 175.88 3a1z s LEU 43 N -1.88 4.14 -0.17 -3.56 2.96 -0.18 -4.89 118.68 115.11 3a1z s LEU 43 Ca 0.50 0.26 -0.06 0.00 -0.22 0.00 0.00 54.13 54.60 3a1z s LEU 43 Cb -0.31 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 3a1z s LEU 43 CO 0.40 0.04 0.04 -0.69 -1.32 0.00 0.00 176.35 174.82 3a1z s VAL 44 N 1.02 4.62 -0.24 1.68 1.01 -1.26 -0.64 120.40 126.59 3a1z s VAL 44 Ca 0.11 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.02 3a1z s VAL 44 Cb -0.14 -3.06 0.05 0.00 0.00 0.00 0.00 36.38 33.23 3a1z s VAL 44 CO 0.05 0.48 -0.11 -0.69 0.00 0.00 0.00 175.10 174.82 3a1z s VAL 45 N 0.29 1.99 0.17 2.92 1.01 0.05 -5.00 120.40 121.83 3a1z s VAL 45 Ca 0.02 -1.42 -0.04 0.00 0.00 0.00 0.00 61.98 60.55 3a1z s VAL 45 Cb -0.13 -2.09 -0.09 0.00 0.00 0.00 0.00 36.38 34.08 3a1z s VAL 45 CO 0.01 0.05 1.45 0.71 0.00 0.00 0.00 175.10 177.31 3a1z h THR 46 N 6.62 1.34 -2.68 3.92 1.35 -1.94 0.92 112.91 122.44 3a1z h THR 46 Ca -0.23 -1.96 -0.03 0.00 -0.55 0.00 0.00 66.41 63.63 3a1z h THR 46 Cb 1.06 1.94 -0.14 0.00 -1.73 0.00 0.00 68.15 69.28 3a1z h THR 46 CO 0.47 0.60 0.20 -0.94 -0.25 0.00 0.00 175.52 175.61 3a1z s SER 47 N -6.97 -0.59 -0.16 5.36 1.04 -1.26 -1.68 113.70 109.43 3a1z s SER 47 Ca -0.07 0.23 -0.21 0.00 0.48 0.00 0.00 55.95 56.38 3a1z s SER 47 Cb 0.11 0.58 0.05 0.00 0.10 0.00 0.00 66.02 66.86 3a1z s SER 47 CO 0.85 -0.85 0.54 -0.22 0.98 0.00 0.00 173.24 174.54 3a1z s LEU 48 N -2.24 -0.08 0.01 2.42 2.96 -0.25 -4.98 118.68 116.51 3a1z s LEU 48 Ca -0.03 0.93 0.06 0.00 -0.22 0.00 0.00 54.13 54.87 3a1z s LEU 48 Cb -0.01 1.92 -0.02 0.00 0.50 0.00 0.00 46.19 48.59 3a1z s LEU 48 CO -0.06 -0.29 -0.19 -1.81 -1.32 0.00 0.00 176.35 172.69 3a1z s ASP 49 N -0.14 2.24 -0.09 3.68 1.01 -1.26 0.11 116.67 122.22 3a1z s ASP 49 Ca -0.03 -0.40 -0.00 0.00 0.71 0.00 0.00 52.55 52.82 3a1z s ASP 49 Cb -0.03 -0.22 0.02 0.00 1.01 0.00 0.00 42.92 43.70 3a1z s ASP 49 CO 0.03 0.20 -0.05 -0.69 0.21 0.00 0.00 175.17 174.86 3a1z s VAL 50 N -0.58 0.79 0.24 -1.27 1.01 0.21 -4.96 120.40 115.84 3a1z s VAL 50 Ca 0.07 -0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.59 3a1z s VAL 50 Cb -0.08 -0.84 -0.09 0.00 0.00 0.00 0.00 36.38 35.38 3a1z s VAL 50 CO 0.00 0.32 1.01 -0.63 0.00 0.00 0.00 175.10 175.80 3a1z s ILE 51 N 1.60 3.88 -0.04 2.22 -1.09 -1.26 -0.21 121.20 126.29 3a1z s ILE 51 Ca 0.01 1.84 -0.30 0.00 -2.23 0.00 0.00 60.65 59.98 3a1z s ILE 51 Cb -0.13 -4.17 -0.05 0.00 -1.58 0.00 0.00 42.46 36.52 3a1z s ILE 51 CO -0.05 0.42 1.58 0.00 -1.23 0.00 0.00 174.94 175.65 3a1z s ALA 52 N -1.01 3.63 0.59 9.38 0.00 -0.54 -4.87 121.76 128.94 3a1z s ALA 52 Ca 0.43 0.91 0.29 0.00 0.00 0.00 0.00 51.96 53.59 3a1z s ALA 52 Cb -0.28 -3.71 1.76 0.00 0.00 0.00 0.00 23.12 20.89 3a1z s ALA 52 CO 0.35 -1.27 2.20 -1.35 0.00 0.00 0.00 175.76 175.69 3a1z h PRO 53 N 9.01 0.00 -0.02 0.00 0.11 -1.91 -1.40 132.00 137.79 3a1z h PRO 53 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3a1z h PRO 53 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3a1z h PRO 53 CO 0.95 0.00 -0.09 -1.13 -0.21 0.00 0.00 178.00 177.51 3a1z n SER 54 N -3.84 2.47 -3.06 -2.05 3.41 -1.26 -4.78 113.62 104.52 3a1z n SER 54 Ca -0.01 -1.78 0.04 0.00 -0.26 0.00 0.00 58.87 56.85 3a1z n SER 54 Cb 0.17 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 3a1z n SER 54 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3a1z s ASP 55 N -2.10 -0.79 0.00 4.04 -1.08 -0.53 -5.03 116.67 111.18 3a1z s ASP 55 Ca 0.28 -0.11 0.10 0.00 -0.52 0.00 0.00 52.55 52.30 3a1z s ASP 55 Cb 0.20 1.28 0.43 0.00 -1.46 0.00 0.00 42.92 43.37 3a1z s ASP 55 CO 0.36 -0.12 1.28 0.00 0.52 0.00 0.00 175.17 177.21 3a1z n ALA 56 N 4.68 1.48 1.34 3.66 0.00 -1.23 -0.91 120.51 129.52 3a1z n ALA 56 Ca 0.08 -0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.54 3a1z n ALA 56 Cb 0.58 -1.16 0.20 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.50 -0.01 3.18 0.00 0.00 -1.26 -4.79 105.19 101.81 3a1z n GLY 57 Ca 0.03 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.74 1.96 -0.03 -0.61 1.01 -0.09 -2.45 121.20 119.25 3a1z s ILE 58 Ca 0.20 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.94 3a1z s ILE 58 Cb 0.10 -1.72 -0.00 0.00 0.01 0.00 0.00 42.46 40.85 3a1z s ILE 58 CO 0.14 0.54 -0.13 -0.69 0.00 0.00 0.00 174.94 174.80 3a1z s VAL 59 N 0.57 1.06 -0.23 2.92 1.01 -0.60 -1.46 120.40 123.67 3a1z s VAL 59 Ca -0.14 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.23 3a1z s VAL 59 Cb -0.17 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 3a1z s VAL 59 CO 0.04 0.31 0.10 -0.63 0.00 0.00 0.00 175.10 174.93 3a1z s ILE 60 N 0.05 4.77 -0.20 2.22 1.09 0.70 -0.88 121.20 128.95 3a1z s ILE 60 Ca -0.02 -0.02 -0.03 0.00 -1.10 0.00 0.00 60.65 59.48 3a1z s ILE 60 Cb -0.09 -3.21 -0.01 0.00 -1.06 0.00 0.00 42.46 38.09 3a1z s ILE 60 CO 0.01 0.36 -0.07 -0.13 -0.10 0.00 0.00 174.94 175.01 3a1z s ARG 61 N 1.17 3.38 0.02 2.79 0.52 -0.70 0.64 118.95 126.78 3a1z s ARG 61 Ca 0.05 -0.64 0.01 0.00 -0.52 0.00 0.00 55.73 54.63 3a1z s ARG 61 Cb -0.14 -2.91 -0.04 0.00 0.52 0.00 0.00 34.95 32.38 3a1z s ARG 61 CO 0.04 -0.09 0.07 -0.06 0.02 0.00 0.00 175.30 175.28 3a1z s PHE 62 N 1.19 3.24 0.03 -0.53 0.08 0.30 -1.23 117.98 121.06 3a1z s PHE 62 Ca 0.02 0.15 0.02 0.00 0.12 0.00 0.00 56.93 57.24 3a1z s PHE 62 Cb -0.14 -1.69 -0.02 0.00 -0.57 0.00 0.00 43.02 40.59 3a1z s PHE 62 CO -0.02 0.53 -0.06 0.15 -0.10 0.00 0.00 175.22 175.72 3a1z s LYS 63 N -1.95 0.45 -1.51 0.44 1.02 -0.29 -1.10 119.74 116.81 3a1z s LYS 63 Ca 0.25 -0.61 -0.05 0.00 0.02 0.00 0.00 55.97 55.58 3a1z s LYS 63 Cb -0.12 -0.24 0.04 0.00 -0.52 0.00 0.00 37.83 37.00 3a1z s LYS 63 CO 0.16 0.04 0.45 0.09 -0.92 0.00 0.00 175.35 175.18 3a1z n ASN 64 N 1.81 -0.87 -4.76 2.83 5.03 -0.68 -1.30 115.26 117.32 3a1z n ASN 64 Ca -0.21 -1.05 -0.41 0.00 0.87 0.00 0.00 54.58 53.78 3a1z n ASN 64 Cb 0.56 -2.75 -0.01 0.00 -1.02 0.00 0.00 39.78 36.55 3a1z n ASN 64 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3a1z s LEU 65 N -7.11 4.36 -0.14 3.41 1.43 0.31 -4.32 118.68 116.62 3a1z s LEU 65 Ca 0.19 2.87 -0.00 0.00 -1.03 0.00 0.00 54.13 56.16 3a1z s LEU 65 Cb -0.11 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.50 3a1z s LEU 65 CO 0.92 -0.80 -0.10 0.21 0.23 0.00 0.00 176.35 176.81 3a1z s ASN 66 N 0.15 2.49 -0.11 2.29 3.84 0.43 -0.77 114.94 123.25 3a1z s ASN 66 Ca 0.57 -0.43 0.01 0.00 0.21 0.00 0.00 52.86 53.22 3a1z s ASN 66 Cb -0.45 -0.99 0.02 0.00 -0.55 0.00 0.00 41.25 39.28 3a1z s ASN 66 CO 0.52 -0.10 -0.13 -0.63 -2.79 0.00 0.00 177.10 173.96 3a1z s ILE 67 N 1.61 1.39 0.20 -5.21 1.01 0.19 -2.02 121.20 118.37 3a1z s ILE 67 Ca 0.04 -0.56 0.11 0.00 0.00 0.00 0.00 60.65 60.24 3a1z s ILE 67 Cb -0.13 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 3a1z s ILE 67 CO -0.09 0.42 -0.20 0.42 0.00 0.00 0.00 174.94 175.50 3a1z s THR 68 N 1.21 2.59 0.00 2.92 -4.23 -0.09 -1.01 115.64 117.03 3a1z s THR 68 Ca -0.02 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 3a1z s THR 68 Cb -0.14 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.43 3a1z s THR 68 CO -0.04 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 174.49 3a1z n GLY 69 N 0.07 2.01 0.26 3.99 0.00 -1.26 -0.50 105.19 109.76 3a1z n GLY 69 Ca -0.11 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.97 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 0.09 -2.47 0.99 3.38 -1.77 -1.96 115.31 113.56 3a1z h LEU 70 Ca 0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3a1z h LEU 70 Cb 0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3a1z h LEU 70 CO 0.00 0.12 -0.01 0.07 0.09 0.00 0.00 178.44 178.71 3a1z h LYS 71 N 0.10 0.00 -0.56 1.13 2.10 -1.92 0.05 116.57 117.47 3a1z h LYS 71 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 3a1z h LYS 71 Cb 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 3a1z h LYS 71 CO 0.00 0.01 0.00 0.09 -2.00 0.00 0.00 179.45 177.56 3a1z n ASN 72 N -3.20 3.36 -4.55 7.07 3.02 -0.74 -4.59 115.26 115.64 3a1z n ASN 72 Ca -0.02 -1.98 -0.31 0.00 -0.03 0.00 0.00 54.58 52.24 3a1z n ASN 72 Cb 0.15 -0.37 0.17 0.00 -0.61 0.00 0.00 39.78 39.12 3a1z n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a1z n GLN 73 N 1.36 -0.77 -3.90 3.52 10.64 -0.00 -4.90 117.38 123.33 3a1z n GLN 73 Ca 0.21 -0.17 -0.35 0.00 -1.83 0.00 0.00 57.00 54.85 3a1z n GLN 73 Cb 0.55 -2.16 -0.14 0.00 -0.86 0.00 0.00 30.24 27.63 3a1z n GLN 73 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 3a1z s GLN 74 N -4.25 3.07 -1.06 2.61 -1.52 0.87 -4.96 119.66 114.42 3a1z s GLN 74 Ca 0.64 -0.84 -0.22 0.00 -1.95 0.00 0.00 55.36 52.99 3a1z s GLN 74 Cb -0.22 -3.07 0.04 0.00 -0.22 0.00 0.00 33.01 29.54 3a1z s GLN 74 CO 0.62 -0.34 1.55 0.42 -0.25 0.00 0.00 175.29 177.29 3a1z s ILE 75 N 1.41 3.90 -0.89 1.08 -1.09 -1.26 -2.71 121.20 121.64 3a1z s ILE 75 Ca 0.03 -0.91 -0.01 0.00 -2.23 0.00 0.00 60.65 57.52 3a1z s ILE 75 Cb -0.16 -4.98 0.34 0.00 -1.58 0.00 0.00 42.46 36.08 3a1z s ILE 75 CO -0.03 -1.85 1.94 -1.54 -1.23 0.00 0.00 174.94 172.23 3a1z n SER 76 N 9.35 7.40 0.00 3.58 3.41 0.24 -4.78 113.62 132.82 3a1z n SER 76 Ca 0.36 -3.79 0.00 0.00 -0.26 0.00 0.00 58.87 55.18 3a1z n SER 76 Cb 0.50 -1.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 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 -0.40 0.00 -3.47 4.04 -0.08 -1.26 -4.64 116.55 110.74 3a1z n ASP 77 Ca 0.51 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.80 3a1z n ASP 77 Cb 0.25 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.68 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 -2.00 -1.42 -0.10 -0.67 2.19 -1.26 -2.99 117.98 111.73 3a1z s PHE 78 Ca 0.00 2.08 0.01 0.00 0.33 0.00 0.00 56.93 59.35 3a1z s PHE 78 Cb 0.00 0.70 0.02 0.00 -1.31 0.00 0.00 43.02 42.43 3a1z s PHE 78 CO 0.00 -0.74 -0.10 -0.65 1.83 0.00 0.00 175.22 175.56 3a1z s GLN 79 N 2.87 1.71 -0.25 10.12 -0.21 -0.77 -4.70 119.66 128.43 3a1z s GLN 79 Ca 0.04 -0.36 -0.01 0.00 0.02 0.00 0.00 55.36 55.05 3a1z s GLN 79 Cb -0.13 -1.60 0.03 0.00 1.00 0.00 0.00 33.01 32.31 3a1z s GLN 79 CO -0.20 -0.15 -0.07 1.41 -2.12 0.00 0.00 175.29 174.16 3a1z s MET 80 N 1.29 2.71 -0.43 2.91 1.75 -1.26 -1.58 119.30 124.70 3a1z s MET 80 Ca -0.02 -1.06 -0.16 0.00 -1.25 0.00 0.00 55.69 53.20 3a1z s MET 80 Cb -0.14 -2.95 0.03 0.00 2.84 0.00 0.00 34.83 34.61 3a1z s MET 80 CO -0.04 -0.43 0.38 0.34 -0.65 0.00 0.00 175.02 174.61 3a1z s ASP 81 N 1.28 6.15 0.00 1.11 2.15 -0.13 -4.93 116.67 122.31 3a1z s ASP 81 Ca -0.01 -0.87 0.22 0.00 0.43 0.00 0.00 52.55 52.32 3a1z s ASP 81 Cb -0.17 -2.19 0.76 0.00 -0.30 0.00 0.00 42.92 41.02 3a1z s ASP 81 CO -0.05 -0.54 1.56 0.35 -0.17 0.00 0.00 175.17 176.32 3a1z n THR 82 N 5.29 0.20 -0.07 1.71 -2.24 -1.26 0.13 114.28 118.03 3a1z n THR 82 Ca -0.10 -0.36 -0.05 0.00 -2.27 0.00 0.00 64.05 61.27 3a1z n THR 82 Cb 0.47 0.45 -0.02 0.00 -2.10 0.00 0.00 70.33 69.12 3a1z n THR 82 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3a1z h LYS 83 N 2.41 0.00 -0.33 -0.78 1.63 -1.96 -3.37 116.57 114.17 3a1z h LYS 83 Ca 0.00 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 3a1z h LYS 83 Cb 0.53 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.14 3a1z h LYS 83 CO 0.00 0.06 0.04 0.00 -3.45 0.00 0.00 179.45 176.10 3a1z h ALA 84 N -0.97 1.47 -3.91 5.00 0.00 -2.00 -3.47 119.26 115.37 3a1z h ALA 84 Ca -0.02 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 3a1z h ALA 84 Cb 0.50 -0.14 0.07 0.00 0.00 0.00 0.00 17.79 18.21 3a1z h ALA 84 CO -0.01 0.39 -0.30 1.63 0.00 0.00 0.00 179.25 180.96 3a1z n LYS 85 N -4.32 -0.81 -4.30 0.00 5.02 0.35 -4.91 118.16 109.18 3a1z n LYS 85 Ca 0.02 0.37 -0.16 0.00 -2.02 0.00 0.00 58.31 56.51 3a1z n LYS 85 Cb 0.21 -3.12 -0.10 0.00 -0.02 0.00 0.00 35.03 31.99 3a1z n LYS 85 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3a1z s THR 86 N -3.13 0.94 0.01 -0.18 -4.23 0.34 -2.05 115.64 107.35 3a1z s THR 86 Ca 0.16 -2.02 0.03 0.00 -1.18 0.00 0.00 61.69 58.67 3a1z s THR 86 Cb -0.02 -2.28 -0.01 0.00 1.34 0.00 0.00 72.50 71.53 3a1z s THR 86 CO 0.28 -0.37 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.21 3a1z s VAL 87 N -3.48 0.66 0.01 2.29 1.01 -0.46 -0.95 120.40 119.48 3a1z s VAL 87 Ca 0.27 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.68 3a1z s VAL 87 Cb 0.06 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 3a1z s VAL 87 CO 0.07 0.01 -0.12 -0.22 0.00 0.00 0.00 175.10 174.85 3a1z s LEU 88 N -0.67 2.09 -0.21 3.92 2.96 -0.61 -2.26 118.68 123.90 3a1z s LEU 88 Ca -0.00 -0.31 -0.18 0.00 -0.22 0.00 0.00 54.13 53.41 3a1z s LEU 88 Cb -0.05 -0.54 0.06 0.00 0.50 0.00 0.00 46.19 46.16 3a1z s LEU 88 CO 0.00 0.07 0.55 -1.48 -1.32 0.00 0.00 176.35 174.18 3a1z s LEU 89 N -0.66 -0.17 0.02 -0.68 0.05 -0.86 -1.84 118.68 114.54 3a1z s LEU 89 Ca 0.02 1.13 0.01 0.00 0.05 0.00 0.00 54.13 55.34 3a1z s LEU 89 Cb -0.06 1.89 -0.04 0.00 -2.05 0.00 0.00 46.19 45.94 3a1z s LEU 89 CO 0.00 -0.20 0.04 -0.54 -0.55 0.00 0.00 176.35 175.10 3a1z s LYS 90 N 0.45 2.86 0.23 1.48 -0.14 -1.16 -0.92 119.74 122.53 3a1z s LYS 90 Ca -0.01 -0.61 0.04 0.00 -1.36 0.00 0.00 55.97 54.03 3a1z s LYS 90 Cb -0.04 -2.72 -0.05 0.00 -1.68 0.00 0.00 37.83 33.34 3a1z s LYS 90 CO -0.01 0.61 -0.01 0.95 -0.76 0.00 0.00 175.35 176.13 3a1z s THR 91 N -1.18 1.07 -0.27 2.17 -4.23 0.55 -0.60 115.64 113.15 3a1z s THR 91 Ca 0.23 -2.04 -0.23 0.00 -1.18 0.00 0.00 61.69 58.46 3a1z s THR 91 Cb -0.12 -2.31 0.07 0.00 1.34 0.00 0.00 72.50 71.48 3a1z s THR 91 CO 0.14 -0.35 0.72 -0.75 -0.54 0.00 0.00 174.62 173.83 3a1z s LYS 92 N -3.85 0.81 0.03 3.99 2.20 -1.10 -2.35 119.74 119.47 3a1z s LYS 92 Ca 0.28 1.04 -0.27 0.00 -0.36 0.00 0.00 55.97 56.66 3a1z s LYS 92 Cb 0.05 0.35 0.07 0.00 -1.51 0.00 0.00 37.83 36.79 3a1z s LYS 92 CO 0.08 -0.11 0.63 0.00 -0.36 0.00 0.00 175.35 175.59 3a1z s ALA 93 N 0.65 -1.65 -0.19 3.13 0.00 -0.78 -0.09 121.76 122.83 3a1z s ALA 93 Ca -0.02 0.96 -0.06 0.00 0.00 0.00 0.00 51.96 52.84 3a1z s ALA 93 Cb -0.05 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 3a1z s ALA 93 CO -0.04 -0.51 0.02 -0.51 0.00 0.00 0.00 175.76 174.73 3a1z s ASP 94 N -1.77 5.11 -0.08 0.00 1.01 -1.26 -1.17 116.67 118.52 3a1z s ASP 94 Ca -0.07 -0.10 0.05 0.00 0.71 0.00 0.00 52.55 53.14 3a1z s ASP 94 Cb -0.00 -1.87 -0.00 0.00 1.01 0.00 0.00 42.92 42.05 3a1z s ASP 94 CO 0.01 0.10 -0.23 -0.76 0.21 0.00 0.00 175.17 174.51 3a1z s LEU 95 N 0.77 2.03 -0.21 1.23 1.43 -0.39 -4.10 118.68 119.44 3a1z s LEU 95 Ca 0.01 -0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 52.59 3a1z s LEU 95 Cb -0.14 -1.30 -0.00 0.00 0.03 0.00 0.00 46.19 44.77 3a1z s LEU 95 CO 0.02 0.18 -0.07 -2.28 0.23 0.00 0.00 176.35 174.43 3a1z s HIS 96 N 0.15 2.92 -0.09 0.29 5.65 0.34 -2.36 115.29 122.20 3a1z s HIS 96 Ca -0.11 -1.04 0.03 0.00 0.25 0.00 0.00 55.06 54.19 3a1z s HIS 96 Cb -0.16 -2.06 0.01 0.00 -1.18 0.00 0.00 32.58 29.19 3a1z s HIS 96 CO 0.06 -0.57 -0.18 0.42 -0.65 0.00 0.00 174.74 173.81 3a1z s ILE 97 N 1.39 1.63 -0.01 0.89 1.01 -0.55 -0.91 121.20 124.65 3a1z s ILE 97 Ca 0.05 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.94 3a1z s ILE 97 Cb -0.14 -1.44 0.01 0.00 0.01 0.00 0.00 42.46 40.91 3a1z s ILE 97 CO -0.04 0.46 0.00 -0.69 0.00 0.00 0.00 174.94 174.67 3a1z s VAL 98 N 0.52 0.07 -0.07 2.92 1.01 -0.86 -0.85 120.40 123.14 3a1z s VAL 98 Ca -0.16 0.05 -0.31 0.00 0.00 0.00 0.00 61.98 61.55 3a1z s VAL 98 Cb -0.17 -0.13 0.12 0.00 0.00 0.00 0.00 36.38 36.20 3a1z s VAL 98 CO 0.06 0.07 1.11 -0.83 0.00 0.00 0.00 175.10 175.51 3a1z s GLY 99 N 0.49 -0.35 0.38 4.51 0.00 -0.59 -0.43 107.32 111.33 3a1z s GLY 99 Ca -0.04 1.10 -0.26 0.00 0.00 0.00 0.00 44.72 45.52 3a1z s GLY 99 CO -0.01 0.34 1.13 0.99 0.00 0.00 0.00 173.10 175.55 3a1z s ASP 100 N -2.50 6.70 0.01 1.64 1.01 -0.42 -1.01 116.67 122.09 3a1z s ASP 100 Ca 0.09 2.26 0.03 0.00 0.71 0.00 0.00 52.55 55.65 3a1z s ASP 100 Cb 0.00 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.31 3a1z s ASP 100 CO -0.05 -0.55 -0.11 -0.51 0.21 0.00 0.00 175.17 174.17 3a1z s ILE 101 N -1.43 0.85 -0.14 0.77 2.07 0.03 -1.14 121.20 122.21 3a1z s ILE 101 Ca 0.55 -0.62 0.01 0.00 -1.41 0.00 0.00 60.65 59.18 3a1z s ILE 101 Cb -0.29 -0.74 0.02 0.00 0.13 0.00 0.00 42.46 41.58 3a1z s ILE 101 CO 0.36 0.12 -0.17 -0.69 -1.91 0.00 0.00 174.94 172.65 3a1z s VAL 102 N -0.48 1.71 -0.45 4.00 1.01 -0.36 -1.64 120.40 124.18 3a1z s VAL 102 Ca 0.02 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 61.11 3a1z s VAL 102 Cb -0.05 -1.56 0.06 0.00 0.00 0.00 0.00 36.38 34.83 3a1z s VAL 102 CO 0.00 0.48 0.36 -0.63 0.00 0.00 0.00 175.10 175.31 3a1z s ILE 103 N 1.16 5.10 -0.39 2.22 1.01 0.51 -1.72 121.20 129.09 3a1z s ILE 103 Ca -0.01 -1.02 -0.15 0.00 0.00 0.00 0.00 60.65 59.47 3a1z s ILE 103 Cb -0.14 -4.01 0.01 0.00 0.01 0.00 0.00 42.46 38.33 3a1z s ILE 103 CO -0.06 -0.51 0.31 -0.70 0.00 0.00 0.00 174.94 173.97 3a1z s GLU 104 N 1.62 3.11 -1.08 2.79 2.12 -0.06 -1.07 118.70 126.14 3a1z s GLU 104 Ca 0.04 -0.89 -0.14 0.00 0.36 0.00 0.00 54.97 54.34 3a1z s GLU 104 Cb -0.23 -3.94 0.19 0.00 0.26 0.00 0.00 34.13 30.41 3a1z s GLU 104 CO 0.07 -0.69 1.21 -0.51 -0.54 0.00 0.00 175.26 174.79 3a1z s LEU 105 N 1.76 5.56 0.30 2.70 1.43 -0.15 -1.56 118.68 128.72 3a1z s LEU 105 Ca 0.06 -2.88 -0.00 0.00 -1.03 0.00 0.00 54.13 50.28 3a1z s LEU 105 Cb -0.18 -2.33 0.50 0.00 0.03 0.00 0.00 46.19 44.20 3a1z s LEU 105 CO 0.11 -0.69 1.92 0.71 0.23 0.00 0.00 176.35 178.62 3a1z h THR 106 N 4.71 1.09 0.00 5.49 1.35 -1.69 0.24 112.91 124.11 3a1z h THR 106 Ca 0.22 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 3a1z h THR 106 Cb 0.93 -0.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.28 3a1z h THR 106 CO 1.10 0.19 0.00 -0.62 -0.25 0.00 0.00 175.52 175.94 3a1z n GLU 107 N -4.48 0.21 -0.09 4.72 1.02 -1.25 -1.54 120.64 119.22 3a1z n GLU 107 Ca 0.13 0.40 0.07 0.00 -0.02 0.00 0.00 57.16 57.75 3a1z n GLU 107 Cb 0.17 -1.87 0.12 0.00 -0.02 0.00 0.00 31.44 29.83 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 -2.26 1.75 -1.60 3.49 6.02 0.66 -4.99 117.38 120.45 3a1z n GLN 108 Ca 0.02 -1.71 -0.15 0.00 -0.01 0.00 0.00 57.00 55.16 3a1z n GLN 108 Cb 0.25 -1.30 -0.05 0.00 1.02 0.00 0.00 30.24 30.15 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 0.81 -4.79 -4.08 1.08 7.64 -0.19 -4.96 113.62 109.14 3a1z n SER 109 Ca 0.11 0.30 -0.11 0.00 1.01 0.00 0.00 58.87 60.19 3a1z n SER 109 Cb 0.41 -3.68 -0.07 0.00 -1.01 0.00 0.00 64.21 59.85 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 -3.57 1.40 0.12 1.43 -2.85 -1.15 -5.04 119.74 110.08 3a1z s LYS 110 Ca 0.00 -1.44 -0.09 0.00 -1.00 0.00 0.00 55.97 53.45 3a1z s LYS 110 Cb 0.00 0.38 -0.01 0.00 -2.06 0.00 0.00 37.83 36.14 3a1z s LYS 110 CO 0.00 -0.53 0.22 -1.12 0.10 0.00 0.00 175.35 174.02 3a1z s SER 111 N -3.09 0.10 0.11 0.03 0.01 -1.26 -0.97 113.70 108.63 3a1z s SER 111 Ca 0.30 -0.75 0.06 0.00 1.31 0.00 0.00 55.95 56.88 3a1z s SER 111 Cb 0.03 0.37 -0.04 0.00 0.21 0.00 0.00 66.02 66.60 3a1z s SER 111 CO 0.11 -0.79 -0.15 -0.36 0.41 0.00 0.00 173.24 172.45 3a1z s PHE 112 N -3.91 1.46 0.03 2.43 0.40 -0.23 -4.92 117.98 113.24 3a1z s PHE 112 Ca 0.10 -0.51 0.02 0.00 -0.60 0.00 0.00 56.93 55.94 3a1z s PHE 112 Cb 0.04 -0.77 -0.02 0.00 0.51 0.00 0.00 43.02 42.78 3a1z s PHE 112 CO -0.07 0.15 -0.07 0.99 0.70 0.00 0.00 175.22 176.93 3a1z s THR 113 N -1.81 0.44 0.00 0.64 2.01 -1.26 -0.36 115.64 115.30 3a1z s THR 113 Ca 0.07 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.08 3a1z s THR 113 Cb -0.07 -0.52 0.00 0.00 0.01 0.00 0.00 72.50 71.92 3a1z s THR 113 CO 0.03 -0.37 0.00 0.61 -0.69 0.00 0.00 174.62 174.20 3a1z n GLY 114 N 1.59 -0.66 3.55 4.40 0.00 -0.65 -4.38 105.19 109.03 3a1z n GLY 114 Ca -0.22 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 3a1z n GLY 114 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3a1z s LEU 115 N 0.00 2.95 -0.05 0.99 2.96 -1.26 -0.79 118.68 123.48 3a1z s LEU 115 Ca 0.00 -0.33 0.03 0.00 -0.22 0.00 0.00 54.13 53.61 3a1z s LEU 115 Cb 0.00 -1.73 0.01 0.00 0.50 0.00 0.00 46.19 44.96 3a1z s LEU 115 CO 0.00 0.23 -0.13 -0.47 -1.32 0.00 0.00 176.35 174.66 3a1z s TYR 116 N -1.06 1.46 0.01 5.38 5.04 -0.18 -1.13 117.35 126.86 3a1z s TYR 116 Ca 0.18 -0.47 0.01 0.00 -2.44 0.00 0.00 57.07 54.36 3a1z s TYR 116 Cb -0.11 -1.03 -0.01 0.00 0.35 0.00 0.00 41.96 41.16 3a1z s TYR 116 CO 0.09 -0.20 -0.05 0.99 -1.34 0.00 0.00 175.55 175.04 3a1z s THR 117 N 0.34 0.34 -0.17 4.34 2.01 -0.38 -1.54 115.64 120.58 3a1z s THR 117 Ca -0.09 -0.48 -0.09 0.00 0.31 0.00 0.00 61.69 61.35 3a1z s THR 117 Cb -0.13 -0.34 0.06 0.00 0.01 0.00 0.00 72.50 72.10 3a1z s THR 117 CO 0.03 -0.10 0.42 0.00 -0.69 0.00 0.00 174.62 174.27 3a1z s ALA 118 N -0.57 -1.07 -0.12 7.40 0.00 -0.03 -0.95 121.76 126.42 3a1z s ALA 118 Ca -0.03 1.54 -0.04 0.00 0.00 0.00 0.00 51.96 53.42 3a1z s ALA 118 Cb -0.05 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 3a1z s ALA 118 CO -0.00 -0.33 0.04 -0.51 0.00 0.00 0.00 175.76 174.96 3a1z s ASP 119 N 1.55 5.51 -0.22 0.00 1.01 0.99 -1.48 116.67 124.04 3a1z s ASP 119 Ca -0.09 0.17 -0.26 0.00 0.71 0.00 0.00 52.55 53.08 3a1z s ASP 119 Cb -0.09 -1.72 0.07 0.00 1.01 0.00 0.00 42.92 42.20 3a1z s ASP 119 CO -0.13 0.32 0.74 0.28 0.21 0.00 0.00 175.17 176.59 3a1z s THR 120 N -0.55 0.00 -0.37 -1.27 -1.32 -0.99 -1.06 115.64 110.07 3a1z s THR 120 Ca 0.10 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.52 3a1z s THR 120 Cb -0.12 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 69.94 3a1z s THR 120 CO 0.02 0.00 0.16 0.21 -2.21 0.00 0.00 174.62 172.80 3a1z s ASN 121 N -0.01 5.35 -0.17 8.08 2.47 -1.26 -1.27 114.94 128.14 3a1z s ASN 121 Ca -0.02 -1.47 -0.09 0.00 0.42 0.00 0.00 52.86 51.69 3a1z s ASN 121 Cb -0.04 -1.88 -0.05 0.00 -1.45 0.00 0.00 41.25 37.84 3a1z s ASN 121 CO 0.03 -0.43 0.15 -0.69 -3.72 0.00 0.00 177.10 172.43 3a1z s VAL 122 N 1.33 5.43 -0.09 -5.21 1.01 -0.32 -3.70 120.40 118.85 3a1z s VAL 122 Ca 0.01 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.27 3a1z s VAL 122 Cb -0.21 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 3a1z s VAL 122 CO 0.00 0.50 -0.19 -0.63 0.00 0.00 0.00 175.10 174.78 3a1z s ILE 123 N -0.12 2.52 0.36 2.22 1.01 0.73 -1.87 121.20 126.04 3a1z s ILE 123 Ca 0.11 -0.88 -0.06 0.00 0.00 0.00 0.00 60.65 59.82 3a1z s ILE 123 Cb -0.12 -1.99 0.02 0.00 0.01 0.00 0.00 42.46 40.38 3a1z s ILE 123 CO 0.01 0.56 0.57 -0.83 0.00 0.00 0.00 174.94 175.24 3a1z s GLY 124 N 0.06 1.17 -0.03 6.18 0.00 -0.99 -1.58 107.32 112.13 3a1z s GLY 124 Ca -0.08 -1.30 0.04 0.00 0.00 0.00 0.00 44.72 43.38 3a1z s GLY 124 CO 0.05 -0.80 -0.15 0.00 0.00 0.00 0.00 173.10 172.21 3a1z s ALA 125 N -2.84 1.32 -0.11 3.20 0.00 0.05 -0.33 121.76 123.05 3a1z s ALA 125 Ca 0.26 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.61 3a1z s ALA 125 Cb -0.02 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 3a1z s ALA 125 CO 0.18 0.24 -0.02 0.08 0.00 0.00 0.00 175.76 176.24 3a1z s VAL 126 N 0.04 4.06 -0.00 0.00 1.01 -0.10 0.34 120.40 125.75 3a1z s VAL 126 Ca -0.02 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.67 3a1z s VAL 126 Cb -0.10 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 3a1z s VAL 126 CO 0.01 0.55 -0.11 -0.13 0.00 0.00 0.00 175.10 175.43 3a1z s ARG 127 N -0.32 0.87 0.09 2.72 0.52 0.23 -2.02 118.95 121.04 3a1z s ARG 127 Ca 0.06 -0.44 -0.20 0.00 -0.52 0.00 0.00 55.73 54.63 3a1z s ARG 127 Cb -0.12 -0.84 0.05 0.00 0.52 0.00 0.00 34.95 34.56 3a1z s ARG 127 CO 0.02 0.23 0.48 1.52 0.02 0.00 0.00 175.30 177.56 3a1z s TYR 128 N -0.36 -0.35 0.82 -0.53 -0.85 -0.96 -0.97 117.35 114.16 3a1z s TYR 128 Ca 0.03 0.22 -0.12 0.00 -0.52 0.00 0.00 57.07 56.69 3a1z s TYR 128 Cb -0.05 0.33 0.08 0.00 0.38 0.00 0.00 41.96 42.70 3a1z s TYR 128 CO -0.00 -0.68 1.13 0.20 -1.52 0.00 0.00 175.55 174.67 3a1z s GLY 129 N -2.37 1.60 0.05 5.49 0.00 -1.26 -1.35 107.32 109.48 3a1z s GLY 129 Ca -0.02 -0.42 -0.04 0.00 0.00 0.00 0.00 44.72 44.24 3a1z s GLY 129 CO -0.07 0.04 0.06 -2.52 0.00 0.00 0.00 173.10 170.62 3a1z s TYR 130 N -3.32 0.30 0.27 1.90 -0.85 -0.87 -1.79 117.35 112.99 3a1z s TYR 130 Ca 0.61 -0.71 -0.03 0.00 -0.52 0.00 0.00 57.07 56.42 3a1z s TYR 130 Cb -0.13 -0.21 -0.02 0.00 0.38 0.00 0.00 41.96 41.98 3a1z s TYR 130 CO 0.52 -0.39 0.33 0.54 -1.52 0.00 0.00 175.55 175.04 3a1z s ASN 131 N -2.47 0.50 -0.25 -0.18 2.20 -0.65 -4.82 114.94 109.27 3a1z s ASN 131 Ca -0.00 -1.35 -0.09 0.00 -0.94 0.00 0.00 52.86 50.48 3a1z s ASN 131 Cb 0.02 0.53 -0.04 0.00 -2.00 0.00 0.00 41.25 39.76 3a1z s ASN 131 CO -0.07 -1.07 0.13 -0.76 -2.94 0.00 0.00 177.10 172.39 3a1z s LEU 132 N -3.17 3.84 0.29 3.54 2.01 -1.26 0.87 118.68 124.80 3a1z s LEU 132 Ca 0.33 -0.04 0.08 0.00 0.01 0.00 0.00 54.13 54.51 3a1z s LEU 132 Cb 0.02 -2.04 -0.04 0.00 0.01 0.00 0.00 46.19 44.14 3a1z s LEU 132 CO 0.16 -0.00 0.13 -1.59 1.01 0.00 0.00 176.35 176.05 3a1z s LYS 133 N 1.44 2.53 -0.18 1.70 -2.85 -0.38 -4.90 119.74 117.11 3a1z s LYS 133 Ca 0.06 -1.34 -0.01 0.00 -1.00 0.00 0.00 55.97 53.68 3a1z s LYS 133 Cb -0.15 -2.31 -0.01 0.00 -2.06 0.00 0.00 37.83 33.31 3a1z s LYS 133 CO 0.07 0.27 -0.11 -0.80 0.10 0.00 0.00 175.35 174.88 3a1z s ASN 134 N -3.81 3.97 1.08 0.03 -0.87 -1.26 -0.71 114.94 113.39 3a1z s ASN 134 Ca 0.35 -0.41 -0.17 0.00 -1.57 0.00 0.00 52.86 51.06 3a1z s ASN 134 Cb -0.06 -1.64 0.11 0.00 -0.02 0.00 0.00 41.25 39.64 3a1z s ASN 134 CO 0.23 0.06 0.21 0.47 -2.57 0.00 0.00 177.10 175.50 3a1z n ASP 135 N 4.23 -2.20 0.25 -1.22 8.00 0.35 -4.82 116.55 121.14 3a1z n ASP 135 Ca -0.19 -0.01 0.08 0.00 0.71 0.00 0.00 54.79 55.38 3a1z n ASP 135 Cb 0.51 -1.05 0.62 0.00 -0.02 0.00 0.00 41.12 41.18 3a1z n ASP 135 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3a1z h ASP 136 N -2.01 0.02 -0.32 -2.24 3.32 -2.00 -1.30 116.42 111.90 3a1z h ASP 136 Ca -0.52 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.53 3a1z h ASP 136 Cb 1.34 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.88 3a1z h ASP 136 CO 0.38 0.03 0.00 -0.46 -1.72 0.00 0.00 179.24 177.47 3a1z n ASN 137 N -4.53 1.84 0.00 6.45 2.04 -1.26 -4.89 115.26 114.92 3a1z n ASN 137 Ca -0.03 -1.95 0.00 0.00 -0.44 0.00 0.00 54.58 52.16 3a1z n ASN 137 Cb 0.10 -0.21 0.00 0.00 -2.53 0.00 0.00 39.78 37.13 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 1.07 0.77 3.75 4.83 0.00 -0.49 -5.05 105.19 110.08 3a1z n GLY 138 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3a1z n GLY 138 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a1z s VAL 139 N -2.37 3.35 0.15 1.61 1.01 -1.26 -4.63 120.40 118.27 3a1z s VAL 139 Ca 0.00 1.28 -0.25 0.00 0.00 0.00 0.00 61.98 63.01 3a1z s VAL 139 Cb 0.00 -3.81 -0.08 0.00 0.00 0.00 0.00 36.38 32.49 3a1z s VAL 139 CO 0.00 0.27 0.75 -1.10 0.00 0.00 0.00 175.10 175.02 3a1z s GLN 140 N -1.10 4.52 0.09 2.72 -0.21 -1.26 0.13 119.66 124.56 3a1z s GLN 140 Ca 0.48 1.11 0.07 0.00 0.02 0.00 0.00 55.36 57.04 3a1z s GLN 140 Cb -0.34 -3.26 -0.03 0.00 1.00 0.00 0.00 33.01 30.38 3a1z s GLN 140 CO 0.42 0.58 -0.18 -1.01 -2.12 0.00 0.00 175.29 172.98 3a1z s HIS 141 N -1.14 1.55 0.00 0.91 3.76 0.12 -1.71 115.29 118.78 3a1z s HIS 141 Ca 0.35 -0.44 -0.30 0.00 -0.15 0.00 0.00 55.06 54.52 3a1z s HIS 141 Cb -0.23 -0.86 -0.05 0.00 1.11 0.00 0.00 32.58 32.55 3a1z s HIS 141 CO 0.25 0.15 1.39 -0.06 -0.85 0.00 0.00 174.74 175.62 3a1z s PHE 142 N -1.23 2.87 -0.36 1.40 0.08 -1.26 -1.25 117.98 118.24 3a1z s PHE 142 Ca 0.03 0.83 -0.16 0.00 0.12 0.00 0.00 56.93 57.76 3a1z s PHE 142 Cb -0.10 -3.66 -0.00 0.00 -0.57 0.00 0.00 43.02 38.69 3a1z s PHE 142 CO 0.03 -2.41 0.38 -2.00 -0.10 0.00 0.00 175.22 171.13 3a1z s GLU 143 N 2.36 3.43 -0.19 0.44 2.12 0.25 -4.47 118.70 122.65 3a1z s GLU 143 Ca 0.64 -0.51 -0.26 0.00 0.36 0.00 0.00 54.97 55.19 3a1z s GLU 143 Cb -0.31 -3.85 -0.01 0.00 0.26 0.00 0.00 34.13 30.22 3a1z s GLU 143 CO 0.26 -0.61 0.87 0.08 -0.54 0.00 0.00 175.26 175.32 3a1z s VAL 144 N 2.04 4.84 0.72 3.70 1.01 -1.26 -1.63 120.40 129.81 3a1z s VAL 144 Ca 0.12 1.70 -0.08 0.00 0.00 0.00 0.00 61.98 63.72 3a1z s VAL 144 Cb -0.17 -4.17 0.06 0.00 0.00 0.00 0.00 36.38 32.10 3a1z s VAL 144 CO 0.12 -0.03 1.06 -1.10 0.00 0.00 0.00 175.10 175.15 3a1z s GLN 145 N 2.44 2.28 0.26 2.72 -0.21 -0.74 -5.00 119.66 121.41 3a1z s GLN 145 Ca 0.39 -0.06 -0.30 0.00 0.02 0.00 0.00 55.36 55.41 3a1z s GLN 145 Cb -0.16 -2.11 -0.13 0.00 1.00 0.00 0.00 33.01 31.61 3a1z s GLN 145 CO 0.11 -1.26 1.34 -2.30 -2.12 0.00 0.00 175.29 171.07 3a1z n PRO 146 N -3.00 1.96 -2.98 2.91 -0.02 -1.26 -4.64 135.00 127.96 3a1z n PRO 146 Ca 0.07 0.69 -0.20 0.00 -2.02 0.00 0.00 63.50 62.05 3a1z n PRO 146 Cb 0.60 -2.31 0.02 0.00 -0.02 0.00 0.00 33.50 31.79 3a1z n PRO 146 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3a1z s GLU 147 N -0.77 2.85 0.13 -0.52 8.01 -1.26 -4.61 118.70 122.53 3a1z s GLU 147 Ca 0.65 -0.86 0.10 0.00 0.01 0.00 0.00 54.97 54.87 3a1z s GLU 147 Cb -0.65 -2.64 -0.04 0.00 -4.31 0.00 0.00 34.13 26.50 3a1z s GLU 147 CO 0.53 -0.35 -0.23 0.95 0.01 0.00 0.00 175.26 176.17 3a1z s THR 148 N -2.50 1.99 -0.04 3.63 -4.23 -0.14 -4.95 115.64 109.40 3a1z s THR 148 Ca 0.52 -1.71 0.06 0.00 -1.18 0.00 0.00 61.69 59.39 3a1z s THR 148 Cb -0.10 -1.81 -0.02 0.00 1.34 0.00 0.00 72.50 71.92 3a1z s THR 148 CO 0.36 -0.03 -0.24 0.12 -0.54 0.00 0.00 174.62 174.29 3a1z s PHE 149 N -1.25 2.43 -0.19 3.99 5.36 -1.26 -0.60 117.98 126.47 3a1z s PHE 149 Ca 0.11 -0.55 0.01 0.00 -0.96 0.00 0.00 56.93 55.54 3a1z s PHE 149 Cb -0.09 -1.57 0.02 0.00 -0.34 0.00 0.00 43.02 41.04 3a1z s PHE 149 CO 0.06 -0.10 -0.17 0.99 -1.46 0.00 0.00 175.22 174.53 3a1z s THR 150 N -0.39 2.23 -1.04 0.12 2.01 0.15 -4.92 115.64 113.80 3a1z s THR 150 Ca 0.03 -0.94 -0.23 0.00 0.31 0.00 0.00 61.69 60.87 3a1z s THR 150 Cb -0.12 -1.98 0.05 0.00 0.01 0.00 0.00 72.50 70.47 3a1z s THR 150 CO 0.01 0.48 1.47 0.00 -0.69 0.00 0.00 174.62 175.89 3a1z h GLU 152 N 9.61 0.00 -1.39 0.00 5.08 -1.63 -3.47 114.58 122.77 3a1z h GLU 152 Ca 0.22 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.69 3a1z h GLU 152 Cb 1.00 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 29.96 3a1z h GLU 152 CO 1.43 0.25 0.62 0.45 -1.00 0.00 0.00 179.01 180.76 3a1z s SER 153 N -6.23 -0.29 -0.02 1.42 0.15 -0.61 -4.98 113.70 103.14 3a1z s SER 153 Ca 0.02 0.56 0.03 0.00 0.70 0.00 0.00 55.95 57.26 3a1z s SER 153 Cb 0.09 0.57 0.04 0.00 -1.71 0.00 0.00 66.02 65.01 3a1z s SER 153 CO 0.66 -0.10 0.85 2.30 1.20 0.00 0.00 173.24 178.15 3a1z n ILE 154 N 1.93 0.65 -0.37 6.45 -5.35 -1.26 -0.19 119.36 121.22 3a1z n ILE 154 Ca -0.11 -0.71 0.00 0.00 -0.27 0.00 0.00 62.75 61.66 3a1z n ILE 154 Cb 0.56 0.57 0.00 0.00 -1.74 0.00 0.00 39.64 39.03 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 -0.40 2.87 2.88 3.28 0.00 -1.24 -3.74 105.19 108.84 3a1z n GLY 155 Ca 0.02 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 3a1z n GLY 155 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a1z s GLU 156 N 0.00 1.94 0.30 1.61 2.12 -1.26 -5.01 118.70 118.39 3a1z s GLU 156 Ca 0.00 -2.67 -0.29 0.00 0.36 0.00 0.00 54.97 52.36 3a1z s GLU 156 Cb 0.00 -3.10 -0.13 0.00 0.26 0.00 0.00 34.13 31.16 3a1z s GLU 156 CO 0.00 -1.17 1.28 -0.35 -0.54 0.00 0.00 175.26 174.48 3a1z n PRO 157 N 2.90 1.95 -3.41 4.30 -0.04 -1.25 -4.91 135.00 134.54 3a1z n PRO 157 Ca 0.10 0.69 -0.38 0.00 -0.04 0.00 0.00 63.50 63.86 3a1z n PRO 157 Cb 0.34 -2.26 -0.08 0.00 -0.04 0.00 0.00 33.50 31.46 3a1z n PRO 157 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3a1z s LYS 158 N -1.33 4.09 -0.10 0.54 2.36 -0.22 -4.94 119.74 120.14 3a1z s LYS 158 Ca 0.60 0.09 0.03 0.00 -2.55 0.00 0.00 55.97 54.14 3a1z s LYS 158 Cb -0.62 -3.59 0.01 0.00 -1.05 0.00 0.00 37.83 32.58 3a1z s LYS 158 CO 0.58 -0.14 -0.20 0.42 1.55 0.00 0.00 175.35 177.56 3a1z s ILE 159 N 1.63 1.76 -0.02 5.43 1.01 -1.26 -0.00 121.20 129.74 3a1z s ILE 159 Ca 0.16 -0.83 0.06 0.00 0.00 0.00 0.00 60.65 60.04 3a1z s ILE 159 Cb -0.15 -1.55 -0.01 0.00 0.01 0.00 0.00 42.46 40.76 3a1z s ILE 159 CO 0.08 0.49 -0.21 -0.89 0.00 0.00 0.00 174.94 174.42 3a1z s THR 160 N 0.56 1.66 0.06 2.92 2.01 -0.12 -4.98 115.64 117.74 3a1z s THR 160 Ca -0.15 -0.89 0.07 0.00 0.31 0.00 0.00 61.69 61.04 3a1z s THR 160 Cb -0.17 -1.38 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 3a1z s THR 160 CO 0.05 0.47 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.53 3a1z s LEU 161 N -0.40 2.72 0.81 4.42 1.43 -1.26 -1.25 118.68 125.14 3a1z s LEU 161 Ca 0.06 -0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 52.60 3a1z s LEU 161 Cb -0.09 -1.58 0.08 0.00 0.03 0.00 0.00 46.19 44.63 3a1z s LEU 161 CO -0.00 0.24 1.19 -1.54 0.23 0.00 0.00 176.35 176.46 3a1z n SER 162 N 1.32 1.01 0.07 2.29 3.41 -0.28 -4.72 113.62 116.71 3a1z n SER 162 Ca -0.16 0.59 -0.08 0.00 -0.26 0.00 0.00 58.87 58.97 3a1z n SER 162 Cb 0.52 -1.50 0.06 0.00 -0.26 0.00 0.00 64.21 63.03 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 -0.87 0.36 -0.22 4.04 4.64 -1.98 -1.64 113.55 117.88 3a1z h SER 163 Ca -0.46 -0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 60.61 3a1z h SER 163 Cb 1.30 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 3a1z h SER 163 CO 0.46 0.95 0.09 -0.78 -0.87 0.00 0.00 176.83 176.68 3a1z h ASP 164 N 0.21 0.30 0.10 4.97 1.82 -1.96 0.30 116.42 122.16 3a1z h ASP 164 Ca -0.02 -0.16 0.01 0.00 -0.39 0.00 0.00 57.03 56.48 3a1z h ASP 164 Cb 1.26 -0.08 -0.05 0.00 0.68 0.00 0.00 39.33 41.14 3a1z h ASP 164 CO 0.11 0.37 -0.53 0.25 -1.61 0.00 0.00 179.24 177.83 3a1z h LEU 165 N 0.21 -1.61 -1.75 2.28 6.46 -1.72 0.18 115.31 119.35 3a1z h LEU 165 Ca 0.07 0.17 -0.03 0.00 -0.12 0.00 0.00 57.88 57.97 3a1z h LEU 165 Cb 0.16 0.60 -0.00 0.00 -0.73 0.00 0.00 40.66 40.69 3a1z h LEU 165 CO -0.01 -0.56 -0.16 0.77 -0.62 0.00 0.00 178.44 177.87 3a1z h SER 166 N -0.74 0.00 -0.29 1.25 4.64 -1.01 0.31 113.55 117.70 3a1z h SER 166 Ca -0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3a1z h SER 166 Cb 0.76 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 3a1z h SER 166 CO -0.30 0.16 -0.10 -1.28 -0.87 0.00 0.00 176.83 174.44 3a1z h SER 167 N 0.00 0.59 -0.69 4.97 0.87 -0.04 0.11 113.55 119.36 3a1z h SER 167 Ca -0.00 -0.38 -0.01 0.00 -1.23 0.00 0.00 61.79 60.17 3a1z h SER 167 Cb 0.30 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 3a1z h SER 167 CO 0.02 0.84 0.40 0.00 -0.53 0.00 0.00 176.83 177.55 3a1z h ALA 168 N 0.77 0.89 -0.31 6.23 0.00 0.23 -0.58 119.26 126.49 3a1z h ALA 168 Ca 0.07 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3a1z h ALA 168 Cb 0.59 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3a1z h ALA 168 CO 0.03 0.38 -0.10 -0.07 0.00 0.00 0.00 179.25 179.50 3a1z h LEU 169 N 0.95 0.50 -0.14 0.00 3.38 -0.23 -0.73 115.31 119.04 3a1z h LEU 169 Ca 0.25 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 3a1z h LEU 169 Cb 0.01 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3a1z h LEU 169 CO -0.04 0.64 -0.36 -0.08 0.09 0.00 0.00 178.44 178.69 3a1z h GLU 170 N 0.48 0.49 -0.34 1.13 4.81 -0.33 -1.74 114.58 119.07 3a1z h GLU 170 Ca 0.09 -0.34 -0.12 0.00 -0.13 0.00 0.00 59.36 58.87 3a1z h GLU 170 Cb 0.47 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3a1z h GLU 170 CO 0.03 0.96 -0.26 0.87 -0.73 0.00 0.00 179.01 179.88 3a1z h LYS 171 N 0.10 0.70 -0.13 1.92 1.57 -0.91 -2.38 116.57 117.43 3a1z h LYS 171 Ca -0.01 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.46 3a1z h LYS 171 Cb 0.97 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.25 3a1z h LYS 171 CO 0.08 0.88 -0.02 0.22 -0.57 0.00 0.00 179.45 180.05 3a1z h ASP 172 N 0.61 0.24 -0.02 0.86 3.58 -1.05 -1.90 116.42 118.74 3a1z h ASP 172 Ca 0.08 -0.34 0.01 0.00 0.42 0.00 0.00 57.03 57.20 3a1z h ASP 172 Cb 0.75 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.73 3a1z h ASP 172 CO 0.06 0.53 0.10 -1.28 -2.88 0.00 0.00 179.24 175.77 3a1z h SER 173 N -0.04 0.00 -1.22 2.28 0.87 -1.33 -2.92 113.55 111.19 3a1z h SER 173 Ca 0.04 0.00 0.38 0.00 -1.23 0.00 0.00 61.79 60.98 3a1z h SER 173 Cb 0.41 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 62.25 3a1z h SER 173 CO 0.01 0.00 0.78 1.23 -0.53 0.00 0.00 176.83 178.32 3a1z h GLY 174 N 0.00 1.34 -5.45 5.77 0.00 -0.79 -3.51 103.07 100.43 3a1z h GLY 174 Ca 0.01 -0.14 -0.47 0.00 0.00 0.00 0.00 47.33 46.72 3a1z h GLY 174 CO -0.00 -0.34 -1.07 1.16 0.00 0.00 0.00 176.54 176.28 3a1z n ASN 175 N -4.71 1.92 -0.02 0.19 0.23 -1.11 -5.12 115.26 106.65 3a1z n ASN 175 Ca 0.34 -3.09 0.00 0.00 -0.53 0.00 0.00 54.58 51.30 3a1z n ASN 175 Cb 1.25 -0.57 0.00 0.00 -2.08 0.00 0.00 39.78 38.39 3a1z n ASN 175 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 3a1z n GLU 183 N 0.03 0.39 0.00 -3.83 0.00 -1.26 -5.17 120.64 110.80 3a1z n GLU 183 Ca 0.22 0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.41 3a1z n GLU 183 Cb 0.67 0.00 0.17 0.00 0.00 0.00 0.00 31.44 32.28 3a1z n GLU 183 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 3a1z n PRO 184 N 0.00 0.25 0.07 3.44 -0.04 -1.26 -4.63 135.00 132.84 3a1z n PRO 184 Ca 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.42 3a1z n PRO 184 Cb 0.00 -1.36 -0.08 0.00 -0.04 0.00 0.00 33.50 32.02 3a1z n PRO 184 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 3a1z h LEU 185 N 0.00 0.00 -1.43 1.53 -0.00 -2.03 -2.71 115.31 110.67 3a1z h LEU 185 Ca 0.00 0.00 0.38 0.00 -0.00 0.00 0.00 57.88 58.26 3a1z h LEU 185 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 40.55 3a1z h LEU 185 CO 0.00 0.85 0.80 0.50 -0.00 0.00 0.00 178.44 180.59 3a1z h LYS 186 N 0.00 0.17 0.00 0.17 3.64 -1.99 0.40 116.57 118.96 3a1z h LYS 186 Ca -0.04 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.17 3a1z h LYS 186 Cb 1.68 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.44 3a1z h LYS 186 CO 0.11 0.11 -0.75 1.15 -2.27 0.00 0.00 179.45 177.80 3a1z h THR 187 N 0.18 1.41 -0.12 1.00 2.02 -1.88 -2.54 112.91 112.99 3a1z h THR 187 Ca 0.74 -2.69 -0.09 0.00 0.77 0.00 0.00 66.41 65.13 3a1z h THR 187 Cb 2.24 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 71.15 3a1z h THR 187 CO -0.36 0.74 -0.29 0.25 0.37 0.00 0.00 175.52 176.23 3a1z h LEU 188 N 0.00 0.46 -0.81 2.58 5.85 -0.28 0.71 115.31 123.82 3a1z h LEU 188 Ca -0.01 -0.58 0.08 0.00 0.84 0.00 0.00 57.88 58.21 3a1z h LEU 188 Cb 1.44 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 42.28 3a1z h LEU 188 CO 0.10 0.96 0.48 -0.09 -0.34 0.00 0.00 178.44 179.54 3a1z h ARG 189 N -0.02 0.81 0.07 1.25 2.43 -0.75 -0.12 114.38 118.05 3a1z h ARG 189 Ca -0.00 -0.05 -0.26 0.00 -0.81 0.00 0.00 59.98 58.86 3a1z h ARG 189 Cb 0.90 -0.18 0.02 0.00 -0.42 0.00 0.00 29.97 30.29 3a1z h ARG 189 CO 0.06 0.53 -1.04 0.37 -1.51 0.00 0.00 179.97 178.39 3a1z h GLN 190 N 0.83 0.58 -0.63 0.20 4.15 -1.40 -2.89 115.11 115.95 3a1z h GLN 190 Ca 0.37 -0.72 0.05 0.00 0.77 0.00 0.00 58.65 59.12 3a1z h GLN 190 Cb 0.27 0.23 -0.04 0.00 0.21 0.00 0.00 27.48 28.15 3a1z h GLN 190 CO -0.21 1.31 0.42 0.00 -1.93 0.00 0.00 178.83 178.41 3a1z h ALA 191 N 0.30 1.72 -0.21 3.38 0.00 -0.46 -1.10 119.26 122.89 3a1z h ALA 191 Ca -0.15 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3a1z h ALA 191 Cb 1.73 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 3a1z h ALA 191 CO 0.20 0.19 -0.06 0.00 0.00 0.00 0.00 179.25 179.58 3a1z h ALA 192 N 1.65 0.28 -0.25 0.00 0.00 -0.96 -1.73 119.26 118.26 3a1z h ALA 192 Ca 0.26 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3a1z h ALA 192 Cb 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3a1z h ALA 192 CO -0.08 0.08 0.05 0.82 0.00 0.00 0.00 179.25 180.12 3a1z h ILE 193 N 0.12 1.22 -0.92 0.00 5.03 -1.26 -0.40 117.51 121.30 3a1z h ILE 193 Ca 0.05 -0.73 0.09 0.00 -0.12 0.00 0.00 64.86 64.15 3a1z h ILE 193 Cb 0.52 1.22 -0.07 0.00 -3.03 0.00 0.00 36.82 35.47 3a1z h ILE 193 CO 0.02 0.23 0.57 0.00 -0.68 0.00 0.00 178.15 178.29 3a1z h LYS 195 N 0.97 0.27 -0.69 0.00 6.56 -0.64 -0.16 116.57 122.87 3a1z h LYS 195 Ca 0.43 -0.07 0.08 0.00 -1.06 0.00 0.00 60.65 60.03 3a1z h LYS 195 Cb 0.32 -0.03 -0.07 0.00 -0.57 0.00 0.00 32.23 31.88 3a1z h LYS 195 CO -0.22 0.44 0.35 0.82 -2.06 0.00 0.00 179.45 178.77 3a1z h ILE 196 N 0.05 0.88 -0.83 1.86 2.04 -0.33 -1.18 117.51 120.00 3a1z h ILE 196 Ca 0.05 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.70 3a1z h ILE 196 Cb 0.30 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 3a1z h ILE 196 CO 0.00 0.11 0.54 0.00 0.00 0.00 0.00 178.15 178.80 3a1z h ALA 197 N 1.40 1.06 -0.22 1.87 0.00 -0.37 -2.00 119.26 121.00 3a1z h ALA 197 Ca 0.33 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 3a1z h ALA 197 Cb 0.31 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3a1z h ALA 197 CO -0.24 0.48 -0.07 1.49 0.00 0.00 0.00 179.25 180.91 3a1z h GLU 198 N 1.13 0.34 -0.37 0.00 4.81 0.12 -1.64 114.58 118.97 3a1z h GLU 198 Ca 0.30 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 59.30 3a1z h GLU 198 Cb -0.11 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 3a1z h GLU 198 CO -0.06 0.43 -0.38 0.00 -0.73 0.00 0.00 179.01 178.26 3a1z h ALA 199 N 1.61 0.55 -0.65 2.92 0.00 -0.57 -2.46 119.26 120.64 3a1z h ALA 199 Ca 0.07 -0.45 0.10 0.00 0.00 0.00 0.00 54.91 54.63 3a1z h ALA 199 Cb 0.34 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 3a1z h ALA 199 CO 0.02 0.65 0.26 0.00 0.00 0.00 0.00 179.25 180.17 3a1z h TYR 201 N 0.44 0.00 -0.85 0.00 0.05 -1.20 0.91 116.97 116.33 3a1z h TYR 201 Ca 0.33 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.09 3a1z h TYR 201 Cb 0.42 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.12 3a1z h TYR 201 CO -0.16 0.29 0.44 0.82 -1.05 0.00 0.00 178.16 178.50 3a1z h ILE 202 N 0.00 1.25 -0.12 -2.88 2.04 -0.81 0.57 117.51 117.56 3a1z h ILE 202 Ca -0.00 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.16 3a1z h ILE 202 Cb 0.92 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3a1z h ILE 202 CO 0.04 0.29 -0.08 0.28 0.00 0.00 0.00 178.15 178.68 3a1z h SER 203 N 1.19 0.27 -0.08 1.72 0.02 -0.62 -0.27 113.55 115.77 3a1z h SER 203 Ca 0.30 -0.44 0.03 0.00 -0.84 0.00 0.00 61.79 60.83 3a1z h SER 203 Cb 0.06 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 3a1z h SER 203 CO -0.04 0.66 -0.13 0.58 -1.14 0.00 0.00 176.83 176.75 3a1z h VAL 204 N -0.11 0.65 -0.10 2.27 2.07 -0.34 -2.13 116.25 118.56 3a1z h VAL 204 Ca 0.02 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.42 3a1z h VAL 204 Cb 0.57 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3a1z h VAL 204 CO 0.02 0.00 -0.47 0.58 0.02 0.00 0.00 177.57 177.72 3a1z h VAL 205 N -0.18 1.34 -0.77 2.57 2.07 0.15 -0.63 116.25 120.80 3a1z h VAL 205 Ca 0.07 -1.67 0.14 0.00 0.82 0.00 0.00 66.70 66.06 3a1z h VAL 205 Cb 0.29 1.79 -0.09 0.00 -1.52 0.00 0.00 31.29 31.75 3a1z h VAL 205 CO -0.19 0.50 0.34 -0.74 0.02 0.00 0.00 177.57 177.49 3a1z h HIS 206 N 0.19 0.58 -0.25 1.57 6.17 -0.67 0.15 115.15 122.90 3a1z h HIS 206 Ca 0.01 0.03 -0.05 0.00 0.71 0.00 0.00 60.37 61.08 3a1z h HIS 206 Cb 0.91 -0.14 -0.01 0.00 2.52 0.00 0.00 27.41 30.69 3a1z h HIS 206 CO 0.02 0.11 -0.03 -0.91 0.71 0.00 0.00 177.93 177.82 3a1z h ASN 207 N 0.50 0.46 -0.75 3.26 2.35 -0.47 0.52 115.58 121.45 3a1z h ASN 207 Ca 0.41 -0.34 0.09 0.00 -0.55 0.00 0.00 56.30 55.91 3a1z h ASN 207 Cb 0.59 -0.12 -0.07 0.00 0.05 0.00 0.00 38.32 38.77 3a1z h ASN 207 CO -0.37 0.69 0.40 0.40 -1.65 0.00 0.00 177.43 176.90 3a1z h ILE 208 N 0.21 0.88 -0.16 2.81 2.04 -1.30 0.16 117.51 122.15 3a1z h ILE 208 Ca 0.07 -0.23 -0.08 0.00 1.00 0.00 0.00 64.86 65.61 3a1z h ILE 208 Cb 0.48 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3a1z h ILE 208 CO 0.02 0.12 -0.25 -0.09 0.00 0.00 0.00 178.15 177.95 3a1z h ARG 209 N 0.68 0.30 -0.30 2.37 2.43 -0.55 -2.49 114.38 116.82 3a1z h ARG 209 Ca 0.37 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.36 3a1z h ARG 209 Cb 0.36 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 3a1z h ARG 209 CO -0.26 0.54 -0.09 0.00 -1.51 0.00 0.00 179.97 178.65 3a1z h ALA 210 N 1.47 0.41 -0.81 2.80 0.00 0.39 -2.77 119.26 120.75 3a1z h ALA 210 Ca 0.04 -0.30 0.15 0.00 0.00 0.00 0.00 54.91 54.81 3a1z h ALA 210 Cb 0.59 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.18 3a1z h ALA 210 CO 0.04 0.26 0.36 0.66 0.00 0.00 0.00 179.25 180.57 3a1z h SER 211 N 0.35 0.37 0.68 0.00 4.64 -0.59 0.16 113.55 119.16 3a1z h SER 211 Ca 0.07 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3a1z h SER 211 Cb 0.59 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3a1z h SER 211 CO 0.03 0.13 0.00 0.00 -0.87 0.00 0.00 176.83 176.12 3a1z n ALA 212 N -2.48 1.91 0.06 5.18 0.00 -1.01 -1.67 120.51 122.49 3a1z n ALA 212 Ca 0.16 -0.07 -0.05 0.00 0.00 0.00 0.00 53.44 53.49 3a1z n ALA 212 Cb 0.45 -1.32 -0.09 0.00 0.00 0.00 0.00 19.45 18.49 3a1z n ALA 212 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3a1z h LYS 213 N 0.00 0.00 0.00 0.00 6.56 -0.74 -3.35 116.57 119.04 3a1z h LYS 213 Ca 0.00 0.00 -0.19 0.00 -1.06 0.00 0.00 60.65 59.40 3a1z h LYS 213 Cb 0.34 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.97 3a1z h LYS 213 CO 0.00 0.71 -1.16 -0.89 -2.06 0.00 0.00 179.45 176.05 3a1z n ILE 214 N -3.21 1.51 -3.11 1.86 5.41 -0.75 -4.86 119.36 116.22 3a1z n ILE 214 Ca -0.04 0.01 -0.33 0.00 1.00 0.00 0.00 62.75 63.38 3a1z n ILE 214 Cb 0.91 -2.11 -0.06 0.00 -0.71 0.00 0.00 39.64 37.67 3a1z n ILE 214 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3a1z s LEU 215 N -7.93 4.13 0.47 1.39 1.02 -0.67 -5.08 118.68 112.02 3a1z s LEU 215 Ca -0.26 1.34 -0.22 0.00 0.02 0.00 0.00 54.13 55.01 3a1z s LEU 215 Cb 0.05 -3.98 -0.07 0.00 0.02 0.00 0.00 46.19 42.22 3a1z s LEU 215 CO 0.51 -0.15 1.13 -2.84 0.02 0.00 0.00 176.35 175.02 3a1z s PRO 216 N -2.72 3.74 0.32 1.29 0.02 -1.26 -4.71 135.00 131.68 3a1z s PRO 216 Ca 0.52 1.67 0.07 0.00 0.02 0.00 0.00 61.00 63.27 3a1z s PRO 216 Cb -0.12 -2.32 0.77 0.00 0.02 0.00 0.00 34.50 32.85 3a1z s PRO 216 CO 0.18 -0.54 1.79 0.00 -0.33 0.00 0.00 177.00 178.11 3a1z h ALA 217 N 1.90 1.73 -0.31 -1.55 0.00 -1.66 -2.18 119.26 117.19 3a1z h ALA 217 Ca -0.49 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3a1z h ALA 217 Cb 1.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3a1z h ALA 217 CO 0.60 -0.08 0.00 0.43 0.00 0.00 0.00 179.25 180.20 3a1z n SER 218 N -4.71 0.00 0.00 0.00 7.64 -1.26 -1.60 113.62 113.69 3a1z n SER 218 Ca 0.22 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.63 3a1z n SER 218 Cb 0.57 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 3a1z n SER 218 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3a1z n SER 219 N -2.26 0.00 0.06 6.43 7.64 -0.82 0.15 113.62 124.82 3a1z n SER 219 Ca 0.00 0.16 0.12 0.00 1.01 0.00 0.00 58.87 60.15 3a1z n SER 219 Cb 0.00 -0.16 0.05 0.00 -1.01 0.00 0.00 64.21 63.10 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 -1.07 0.54 -3.85 1.43 3.72 -0.63 -4.44 117.46 113.17 3a1z n PHE 220 Ca 0.00 0.16 -0.28 0.00 -0.05 0.00 0.00 57.45 57.28 3a1z n PHE 220 Cb 0.19 -0.66 -0.16 0.00 -0.94 0.00 0.00 39.48 37.91 3a1z n PHE 220 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3a1z s PHE 221 N -3.25 1.51 0.23 1.38 0.08 0.12 -1.09 117.98 116.96 3a1z s PHE 221 Ca 0.03 -1.00 -0.05 0.00 0.12 0.00 0.00 56.93 56.03 3a1z s PHE 221 Cb 0.13 -1.22 0.42 0.00 -0.57 0.00 0.00 43.02 41.78 3a1z s PHE 221 CO 0.78 -0.60 1.25 0.39 -0.10 0.00 0.00 175.22 176.94 3a1z n GLU 222 N 4.92 -0.07 0.00 0.44 1.02 0.14 -4.81 120.64 122.29 3a1z n GLU 222 Ca -0.11 1.24 0.00 0.00 -0.02 0.00 0.00 57.16 58.27 3a1z n GLU 222 Cb 0.48 -1.88 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 3a1z n GLU 222 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40