#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h4e s ILE 2 N 0.00 3.66 0.32 4.25 1.01 -0.08 -0.96 121.20 129.40 3h4e s ILE 2 Ca 0.00 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.29 3h4e s ILE 2 Cb 0.00 -2.68 -0.05 0.00 0.01 0.00 0.00 42.46 39.74 3h4e s ILE 2 CO 0.00 0.40 0.10 0.68 0.00 0.00 0.00 174.94 176.12 3h4e s VAL 3 N 1.52 0.76 -0.12 2.92 -7.23 -0.28 -4.78 120.40 113.19 3h4e s VAL 3 Ca 0.06 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.05 3h4e s VAL 3 Cb -0.14 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 3h4e s VAL 3 CO -0.01 0.00 0.48 -1.58 -0.31 0.00 0.00 175.10 173.68 3h4e s GLN 4 N -3.88 4.33 0.00 4.82 0.74 -1.26 -0.44 119.66 123.97 3h4e s GLN 4 Ca 0.34 0.45 0.00 0.00 0.05 0.00 0.00 55.36 56.20 3h4e s GLN 4 Cb 0.07 -3.44 0.00 0.00 1.10 0.00 0.00 33.01 30.73 3h4e s GLN 4 CO 0.15 0.14 0.00 0.27 -0.55 0.00 0.00 175.29 175.30 3h4e n ASN 5 N 3.74 0.00 0.05 6.67 0.23 -0.03 -4.96 115.26 120.96 3h4e n ASN 5 Ca -0.07 -0.60 -0.08 0.00 -0.53 0.00 0.00 54.58 53.30 3h4e n ASN 5 Cb 0.52 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 38.09 3h4e n ASN 5 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 3h4e h LEU 6 N 0.00 0.04 0.00 -4.53 3.38 -1.98 -3.10 115.31 109.12 3h4e h LEU 6 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3h4e h LEU 6 Cb 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3h4e h LEU 6 CO 0.00 1.04 0.00 0.00 0.09 0.00 0.00 178.44 179.57 3h4e n GLN 7 N -3.31 0.78 -0.91 1.13 6.02 -1.26 -4.86 117.38 114.97 3h4e n GLN 7 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 3h4e n GLN 7 Cb 0.97 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 30.94 3h4e n GLN 7 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h4e n GLY 8 N 0.44 0.68 3.88 1.08 0.00 -1.17 -5.04 105.19 105.06 3h4e n GLY 8 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3h4e n GLY 8 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3h4e s GLN 9 N -0.09 3.80 -0.27 1.61 -2.07 -1.26 -4.80 119.66 116.57 3h4e s GLN 9 Ca 0.00 0.35 -0.22 0.00 -1.82 0.00 0.00 55.36 53.67 3h4e s GLN 9 Cb 0.00 -2.53 -0.01 0.00 -1.09 0.00 0.00 33.01 29.38 3h4e s GLN 9 CO 0.00 0.16 0.72 -1.64 -1.32 0.00 0.00 175.29 173.21 3h4e s MET 10 N -3.32 4.06 0.15 9.60 1.00 -1.26 -0.85 119.30 128.67 3h4e s MET 10 Ca 0.49 0.63 0.07 0.00 0.00 0.00 0.00 55.69 56.88 3h4e s MET 10 Cb -0.11 -3.68 -0.04 0.00 0.00 0.00 0.00 34.83 31.00 3h4e s MET 10 CO 0.25 -0.53 -0.15 0.14 0.00 0.00 0.00 175.02 174.73 3h4e s VAL 11 N 2.73 1.49 0.27 -6.03 -7.23 0.42 -4.92 120.40 107.12 3h4e s VAL 11 Ca 0.30 -1.86 -0.29 0.00 -1.81 0.00 0.00 61.98 58.32 3h4e s VAL 11 Cb -0.15 -1.70 -0.09 0.00 0.56 0.00 0.00 36.38 34.99 3h4e s VAL 11 CO 0.10 -0.45 0.96 -2.28 -0.31 0.00 0.00 175.10 173.12 3h4e s HIS 12 N -2.33 3.85 -0.00 2.82 5.65 -1.26 -1.12 115.29 122.89 3h4e s HIS 12 Ca 0.13 1.86 -0.01 0.00 0.25 0.00 0.00 55.06 57.29 3h4e s HIS 12 Cb -0.04 -2.99 -0.00 0.00 -1.18 0.00 0.00 32.58 28.37 3h4e s HIS 12 CO 0.04 0.29 0.01 -1.14 -0.65 0.00 0.00 174.74 173.28 3h4e s GLN 13 N -1.50 0.08 0.30 2.88 0.74 -0.14 -4.94 119.66 117.08 3h4e s GLN 13 Ca 0.45 -0.10 -0.29 0.00 0.05 0.00 0.00 55.36 55.46 3h4e s GLN 13 Cb -0.24 0.03 -0.11 0.00 1.10 0.00 0.00 33.01 33.79 3h4e s GLN 13 CO 0.30 -0.01 1.49 0.00 -0.55 0.00 0.00 175.29 176.51 3h4e n ILE 15 N 1.67 1.08 -3.22 0.00 3.06 -1.26 -4.67 119.36 116.02 3h4e n ILE 15 Ca 0.05 -0.27 -0.34 0.00 -2.50 0.00 0.00 62.75 59.69 3h4e n ILE 15 Cb 0.39 -1.84 -0.06 0.00 0.54 0.00 0.00 39.64 38.67 3h4e n ILE 15 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 3h4e s SER 16 N 0.39 6.83 0.29 9.51 1.04 -1.26 -4.96 113.70 125.54 3h4e s SER 16 Ca 0.64 1.21 0.03 0.00 0.48 0.00 0.00 55.95 58.31 3h4e s SER 16 Cb -0.53 -2.34 0.71 0.00 0.10 0.00 0.00 66.02 63.96 3h4e s SER 16 CO 0.50 -0.07 1.70 -0.65 0.98 0.00 0.00 173.24 175.70 3h4e h PRO 17 N 2.84 0.39 -0.43 4.02 0.11 -1.99 -0.72 132.00 136.22 3h4e h PRO 17 Ca -0.48 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.65 3h4e h PRO 17 Cb 1.18 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 3h4e h PRO 17 CO 0.66 0.26 0.18 0.00 -0.21 0.00 0.00 178.00 178.89 3h4e h ARG 18 N 0.40 0.35 -0.20 1.05 3.08 -1.99 -0.08 114.38 117.00 3h4e h ARG 18 Ca 0.55 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.56 3h4e h ARG 18 Cb 1.03 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 3h4e h ARG 18 CO -0.52 0.23 0.04 1.15 -1.07 0.00 0.00 179.97 179.80 3h4e h THR 19 N 0.36 1.22 -0.36 2.04 2.02 -1.56 0.34 112.91 116.96 3h4e h THR 19 Ca 0.19 -0.70 0.07 0.00 0.77 0.00 0.00 66.41 66.74 3h4e h THR 19 Cb 0.15 1.30 -0.07 0.00 -1.74 0.00 0.00 68.15 67.79 3h4e h THR 19 CO -0.17 0.22 -0.10 -0.07 0.37 0.00 0.00 175.52 175.77 3h4e h LEU 20 N 0.12 -0.35 -0.48 2.58 3.38 -1.12 -2.28 115.31 117.16 3h4e h LEU 20 Ca 0.06 0.11 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 3h4e h LEU 20 Cb 0.29 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 3h4e h LEU 20 CO 0.00 -0.13 -0.10 -1.13 0.09 0.00 0.00 178.44 177.18 3h4e h ASN 21 N -0.01 0.92 -0.17 -0.43 -1.24 -0.77 -2.57 115.58 111.31 3h4e h ASN 21 Ca 0.18 -0.35 0.03 0.00 0.71 0.00 0.00 56.30 56.86 3h4e h ASN 21 Cb 0.27 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.04 3h4e h ASN 21 CO -0.38 1.06 -0.04 0.00 -1.29 0.00 0.00 177.43 176.78 3h4e h ALA 22 N 0.89 0.11 0.09 1.57 0.00 -0.67 -0.62 119.26 120.64 3h4e h ALA 22 Ca 0.12 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3h4e h ALA 22 Cb 0.65 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3h4e h ALA 22 CO 0.04 -0.47 -0.04 2.35 0.00 0.00 0.00 179.25 181.13 3h4e h TRP 23 N 0.01 -0.12 -0.96 0.00 -0.00 -1.42 -1.32 115.95 112.15 3h4e h TRP 23 Ca 0.08 -0.00 0.09 0.00 -0.00 0.00 0.00 58.89 59.05 3h4e h TRP 23 Cb 0.12 0.04 -0.07 0.00 -0.00 0.00 0.00 29.16 29.24 3h4e h TRP 23 CO -0.19 -0.03 0.60 0.28 -0.00 0.00 0.00 178.44 179.11 3h4e h VAL 24 N -0.17 1.00 -0.41 2.65 2.07 -1.28 -2.37 116.25 117.73 3h4e h VAL 24 Ca -0.01 -0.36 -0.12 0.00 0.82 0.00 0.00 66.70 67.03 3h4e h VAL 24 Cb 0.14 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.77 3h4e h VAL 24 CO 0.02 0.19 -0.22 0.11 0.02 0.00 0.00 177.57 177.69 3h4e h LYS 25 N 1.04 0.88 -0.66 1.57 1.79 -0.90 -2.07 116.57 118.23 3h4e h LYS 25 Ca 0.44 -0.39 0.06 0.00 -2.18 0.00 0.00 60.65 58.58 3h4e h LYS 25 Cb 0.30 -0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 30.87 3h4e h LYS 25 CO -0.21 1.04 0.36 0.28 -1.08 0.00 0.00 179.45 179.83 3h4e h VAL 26 N 0.70 0.95 -0.29 0.50 2.07 -0.86 0.20 116.25 119.53 3h4e h VAL 26 Ca 0.09 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 67.28 3h4e h VAL 26 Cb 0.79 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3h4e h VAL 26 CO 0.06 0.12 -0.23 0.58 0.02 0.00 0.00 177.57 178.13 3h4e h VAL 27 N 0.66 1.30 -0.61 2.57 2.07 -1.37 0.21 116.25 121.07 3h4e h VAL 27 Ca 0.30 -1.37 0.06 0.00 0.82 0.00 0.00 66.70 66.50 3h4e h VAL 27 Cb 0.20 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 3h4e h VAL 27 CO -0.19 0.44 0.32 -0.33 0.02 0.00 0.00 177.57 177.83 3h4e h GLU 28 N 0.40 0.58 0.14 1.57 5.08 -0.98 -1.62 114.58 119.76 3h4e h GLU 28 Ca 0.05 -0.03 -0.31 0.00 -1.00 0.00 0.00 59.36 58.07 3h4e h GLU 28 Cb 0.78 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3h4e h GLU 28 CO 0.06 0.38 -1.48 0.93 -1.00 0.00 0.00 179.01 177.91 3h4e h GLU 29 N 0.60 0.30 -0.00 2.33 5.08 -0.39 -3.38 114.58 119.11 3h4e h GLU 29 Ca 0.27 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3h4e h GLU 29 Cb 0.19 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3h4e h GLU 29 CO -0.19 1.20 -0.08 1.63 -1.00 0.00 0.00 179.01 180.57 3h4e n LYS 30 N -3.52 1.76 0.00 2.33 4.76 0.71 -5.06 118.16 119.15 3h4e n LYS 30 Ca -0.15 -0.53 0.00 0.00 -2.87 0.00 0.00 58.31 54.76 3h4e n LYS 30 Cb 1.05 -0.97 0.00 0.00 -1.84 0.00 0.00 35.03 33.27 3h4e n LYS 30 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3h4e n ALA 31 N -0.20 0.00 -1.73 7.82 0.00 -0.61 -1.72 120.51 124.07 3h4e n ALA 31 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.38 3h4e n ALA 31 Cb 0.11 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.69 3h4e n ALA 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3h4e n PHE 32 N 14.00 1.33 -1.66 0.00 3.72 -1.26 -4.74 117.46 128.86 3h4e n PHE 32 Ca 0.00 -1.85 -0.40 0.00 -0.05 0.00 0.00 57.45 55.15 3h4e n PHE 32 Cb 0.00 -0.37 0.02 0.00 -0.94 0.00 0.00 39.48 38.20 3h4e n PHE 32 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3h4e n SER 33 N -0.96 1.76 -0.19 4.37 2.88 -0.70 -4.59 113.62 116.19 3h4e n SER 33 Ca 0.32 1.01 0.13 0.00 -1.33 0.00 0.00 58.87 59.01 3h4e n SER 33 Cb 0.85 -1.43 0.45 0.00 -0.75 0.00 0.00 64.21 63.32 3h4e n SER 33 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3h4e h PRO 34 N 1.52 0.52 0.00 -1.46 0.11 -1.91 -1.70 132.00 129.08 3h4e h PRO 34 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3h4e h PRO 34 Cb 1.32 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3h4e h PRO 34 CO 0.57 0.34 0.00 -0.85 -0.21 0.00 0.00 178.00 177.85 3h4e n GLU 35 N -4.50 0.06 0.22 1.05 0.00 -1.26 -2.41 120.64 113.80 3h4e n GLU 35 Ca 0.14 0.22 0.06 0.00 0.00 0.00 0.00 57.16 57.59 3h4e n GLU 35 Cb 0.47 -1.50 0.49 0.00 0.00 0.00 0.00 31.44 30.90 3h4e n GLU 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3h4e h VAL 36 N 0.00 1.04 -0.04 3.84 2.07 -1.66 -3.12 116.25 118.38 3h4e h VAL 36 Ca 0.00 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 3h4e h VAL 36 Cb 0.21 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3h4e h VAL 36 CO 0.00 0.24 -0.08 0.40 0.02 0.00 0.00 177.57 178.15 3h4e h ILE 37 N 0.00 1.43 -0.01 4.57 2.04 -1.69 -0.02 117.51 123.83 3h4e h ILE 37 Ca -0.00 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.46 3h4e h ILE 37 Cb 0.47 2.28 -0.00 0.00 -0.74 0.00 0.00 36.82 38.83 3h4e h ILE 37 CO 0.03 0.38 0.01 -0.65 0.00 0.00 0.00 178.15 177.92 3h4e h PRO 38 N -0.41 0.00 -0.09 2.37 0.11 -1.76 -0.74 132.00 131.48 3h4e h PRO 38 Ca 0.00 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.87 3h4e h PRO 38 Cb 0.65 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.78 3h4e h PRO 38 CO 0.02 0.00 -0.88 1.98 -0.21 0.00 0.00 178.00 178.90 3h4e h MET 39 N 0.00 0.75 -0.27 1.05 4.05 -1.45 -2.51 114.93 116.55 3h4e h MET 39 Ca 0.01 -0.68 -0.02 0.00 -0.28 0.00 0.00 59.70 58.72 3h4e h MET 39 Cb 0.03 0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.98 3h4e h MET 39 CO -0.00 1.28 0.09 0.35 0.23 0.00 0.00 176.91 178.86 3h4e h PHE 40 N 0.48 0.43 -0.72 1.39 3.57 -0.43 -1.20 116.94 120.45 3h4e h PHE 40 Ca -0.08 -0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.47 3h4e h PHE 40 Cb 1.52 -0.12 -0.07 0.00 2.79 0.00 0.00 35.95 40.07 3h4e h PHE 40 CO 0.09 0.45 0.37 1.03 -2.23 0.00 0.00 178.31 178.03 3h4e h SER 41 N 0.28 0.50 -0.21 0.41 0.87 -1.16 -1.56 113.55 112.69 3h4e h SER 41 Ca 0.09 0.05 -0.16 0.00 -1.23 0.00 0.00 61.79 60.54 3h4e h SER 41 Cb 0.22 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 3h4e h SER 41 CO -0.00 0.29 -0.49 0.00 -0.53 0.00 0.00 176.83 176.10 3h4e h ALA 42 N 1.42 0.34 0.00 6.23 0.00 -1.31 -3.05 119.26 122.90 3h4e h ALA 42 Ca 0.35 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3h4e h ALA 42 Cb 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3h4e h ALA 42 CO -0.25 0.51 0.00 -0.07 0.00 0.00 0.00 179.25 179.44 3h4e h LEU 43 N 0.41 0.00 -3.32 0.00 3.38 -0.76 -2.35 115.31 112.67 3h4e h LEU 43 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3h4e h LEU 43 Cb 1.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 3h4e h LEU 43 CO 0.11 0.00 0.01 -1.54 0.09 0.00 0.00 178.44 177.11 3h4e n SER 44 N -2.48 3.73 -4.69 -0.43 3.41 -0.63 -4.99 113.62 107.54 3h4e n SER 44 Ca 0.01 -3.17 -0.44 0.00 -0.26 0.00 0.00 58.87 55.00 3h4e n SER 44 Cb 0.20 -0.58 -0.04 0.00 -0.26 0.00 0.00 64.21 63.53 3h4e n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h4e n GLY 46 N 3.90 0.56 3.76 0.00 0.00 -1.26 -4.85 105.19 107.30 3h4e n GLY 46 Ca 0.17 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 3h4e n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h4e s ALA 47 N -1.91 3.45 0.58 4.61 0.00 -0.58 -0.90 121.76 127.01 3h4e s ALA 47 Ca 0.00 1.05 -0.11 0.00 0.00 0.00 0.00 51.96 52.90 3h4e s ALA 47 Cb 0.00 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 3h4e s ALA 47 CO 0.00 -0.38 0.99 0.95 0.00 0.00 0.00 175.76 177.31 3h4e s THR 48 N -0.92 4.70 0.35 0.00 -4.23 -1.26 -4.36 115.64 109.91 3h4e s THR 48 Ca 0.48 0.86 0.11 0.00 -1.18 0.00 0.00 61.69 61.96 3h4e s THR 48 Cb -0.35 -3.84 0.33 0.00 1.34 0.00 0.00 72.50 69.98 3h4e s THR 48 CO 0.45 -1.02 1.81 -0.65 -0.54 0.00 0.00 174.62 174.67 3h4e h PRO 49 N 0.01 0.61 0.03 3.99 0.11 -1.85 1.00 132.00 135.90 3h4e h PRO 49 Ca -0.45 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.65 3h4e h PRO 49 Cb 1.19 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 3h4e h PRO 49 CO 0.62 0.41 -0.18 0.37 -0.21 0.00 0.00 178.00 179.00 3h4e h GLN 50 N 0.63 -0.30 -0.77 1.05 4.15 -1.90 -0.57 115.11 117.41 3h4e h GLN 50 Ca 0.54 0.02 0.06 0.00 0.77 0.00 0.00 58.65 60.04 3h4e h GLN 50 Cb 1.01 0.07 -0.06 0.00 0.21 0.00 0.00 27.48 28.71 3h4e h GLN 50 CO -0.30 -0.20 0.46 -0.44 -1.93 0.00 0.00 178.83 176.42 3h4e h ASP 51 N -0.31 0.71 -0.43 -0.69 3.32 -1.25 -0.92 116.42 116.85 3h4e h ASP 51 Ca 0.05 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.13 3h4e h ASP 51 Cb 0.37 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3h4e h ASP 51 CO -0.15 0.46 0.28 -0.07 -1.72 0.00 0.00 179.24 178.03 3h4e h LEU 52 N 0.84 0.47 -1.38 1.55 3.38 -0.64 -1.36 115.31 118.17 3h4e h LEU 52 Ca 0.34 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.27 3h4e h LEU 52 Cb 0.17 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3h4e h LEU 52 CO -0.17 0.34 0.08 0.78 0.09 0.00 0.00 178.44 179.56 3h4e h ASN 53 N 0.56 0.45 -0.24 -0.43 2.35 -0.37 -2.24 115.58 115.67 3h4e h ASN 53 Ca 0.16 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3h4e h ASN 53 Cb -0.05 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 3h4e h ASN 53 CO -0.04 0.46 0.12 0.74 -1.65 0.00 0.00 177.43 177.06 3h4e h THR 54 N 0.49 1.13 -0.74 2.81 2.02 -0.41 -0.13 112.91 118.08 3h4e h THR 54 Ca 0.12 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 3h4e h THR 54 Cb 0.19 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 3h4e h THR 54 CO -0.00 0.13 0.38 0.24 0.37 0.00 0.00 175.52 176.63 3h4e h MET 55 N 0.27 1.06 -0.12 6.66 2.86 -0.83 -1.97 114.93 122.85 3h4e h MET 55 Ca 0.08 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 3h4e h MET 55 Cb 0.10 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 3h4e h MET 55 CO -0.01 0.81 -0.05 -0.07 1.06 0.00 0.00 176.91 178.65 3h4e h LEU 56 N 1.03 0.25 -0.92 1.22 3.38 -1.28 -3.24 115.31 115.76 3h4e h LEU 56 Ca 0.26 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3h4e h LEU 56 Cb 0.09 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3h4e h LEU 56 CO -0.04 0.60 0.00 0.78 0.09 0.00 0.00 178.44 179.88 3h4e h ASN 57 N -0.11 0.00 1.02 -0.43 2.35 -0.84 -2.73 115.58 114.85 3h4e h ASN 57 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3h4e h ASN 57 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 3h4e h ASN 57 CO 0.02 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 176.15 3h4e n THR 58 N -2.62 0.07 -2.31 2.81 -2.24 -0.76 -4.75 114.28 104.48 3h4e n THR 58 Ca 0.02 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 3h4e n THR 58 Cb 0.29 -0.52 -0.03 0.00 -2.10 0.00 0.00 70.33 67.97 3h4e n THR 58 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3h4e s VAL 59 N -3.01 3.85 -0.17 2.28 1.01 -1.03 -4.95 120.40 118.38 3h4e s VAL 59 Ca 0.14 1.26 -0.10 0.00 0.00 0.00 0.00 61.98 63.28 3h4e s VAL 59 Cb 0.18 -3.81 -0.22 0.00 0.00 0.00 0.00 36.38 32.53 3h4e s VAL 59 CO 0.53 0.03 0.19 0.61 0.00 0.00 0.00 175.10 176.46 3h4e n GLY 60 N 3.47 -0.60 0.00 4.51 0.00 -1.26 -4.97 105.19 106.33 3h4e n GLY 60 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3h4e n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h4e n GLY 61 N 1.82 1.04 3.64 -0.02 0.00 -1.26 -4.69 105.19 105.72 3h4e n GLY 61 Ca -0.36 -1.88 -0.27 0.00 0.00 0.00 0.00 46.02 43.51 3h4e n GLY 61 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3h4e n HIS 62 N 0.00 -1.91 0.28 1.61 -0.00 -1.26 -4.84 115.22 109.10 3h4e n HIS 62 Ca 0.00 0.64 0.15 0.00 -0.00 0.00 0.00 57.72 58.51 3h4e n HIS 62 Cb 0.00 -3.26 0.80 0.00 -0.00 0.00 0.00 29.99 27.52 3h4e n HIS 62 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 3h4e h GLN 63 N -1.35 0.00 0.06 -0.41 1.08 -1.95 -0.93 115.11 111.60 3h4e h GLN 63 Ca -0.50 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 56.70 3h4e h GLN 63 Cb 1.33 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.76 3h4e h GLN 63 CO 0.62 0.08 -0.03 0.00 -0.95 0.00 0.00 178.83 178.55 3h4e h ALA 64 N 1.92 -0.08 -0.03 3.87 0.00 -1.99 0.33 119.26 123.27 3h4e h ALA 64 Ca -0.00 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3h4e h ALA 64 Cb 0.32 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3h4e h ALA 64 CO 0.01 -0.43 -0.10 0.00 0.00 0.00 0.00 179.25 178.72 3h4e h ALA 65 N 0.61 -0.08 -0.91 0.00 0.00 -1.72 -1.43 119.26 115.73 3h4e h ALA 65 Ca -0.01 0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.04 3h4e h ALA 65 Cb 0.27 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 3h4e h ALA 65 CO 0.01 -0.58 0.58 0.52 0.00 0.00 0.00 179.25 179.78 3h4e h MET 66 N -0.16 0.78 -0.33 0.00 2.07 -1.14 0.40 114.93 116.56 3h4e h MET 66 Ca 0.05 -0.05 -0.13 0.00 -2.07 0.00 0.00 59.70 57.50 3h4e h MET 66 Cb 0.23 -0.18 -0.01 0.00 -1.87 0.00 0.00 31.60 29.77 3h4e h MET 66 CO -0.13 0.52 -0.30 0.37 1.07 0.00 0.00 176.91 178.44 3h4e h GLN 67 N 0.81 0.78 -0.75 1.72 5.75 -0.58 -1.74 115.11 121.09 3h4e h GLN 67 Ca 0.45 -0.40 0.01 0.00 -0.15 0.00 0.00 58.65 58.55 3h4e h GLN 67 Cb 0.58 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.10 3h4e h GLN 67 CO -0.21 1.03 0.50 0.52 -2.65 0.00 0.00 178.83 178.02 3h4e h MET 68 N 0.55 0.99 -0.92 1.69 2.86 -0.49 -2.35 114.93 117.26 3h4e h MET 68 Ca 0.06 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 3h4e h MET 68 Cb 0.87 -0.22 -0.05 0.00 0.06 0.00 0.00 31.60 32.26 3h4e h MET 68 CO 0.08 0.66 0.60 1.25 1.06 0.00 0.00 176.91 180.56 3h4e h LEU 69 N 1.02 1.03 -0.55 1.22 5.85 -0.78 -0.99 115.31 122.11 3h4e h LEU 69 Ca 0.28 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 3h4e h LEU 69 Cb -0.12 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.64 3h4e h LEU 69 CO -0.06 0.72 0.32 0.50 -0.34 0.00 0.00 178.44 179.59 3h4e h LYS 70 N 1.20 0.75 -0.17 1.25 3.64 -0.89 -1.47 116.57 120.88 3h4e h LYS 70 Ca 0.35 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.69 3h4e h LYS 70 Cb -0.07 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.58 3h4e h LYS 70 CO -0.10 0.55 0.02 0.93 -2.27 0.00 0.00 179.45 178.58 3h4e h GLU 71 N 0.74 0.08 -0.83 1.90 5.08 -0.87 -1.34 114.58 119.33 3h4e h GLU 71 Ca 0.20 -0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.66 3h4e h GLU 71 Cb 0.00 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.16 3h4e h GLU 71 CO -0.04 0.05 0.46 1.15 -1.00 0.00 0.00 179.01 179.63 3h4e h THR 72 N 0.08 0.85 -0.52 1.13 2.02 -0.99 -1.06 112.91 114.42 3h4e h THR 72 Ca 0.08 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 3h4e h THR 72 Cb 0.09 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.53 3h4e h THR 72 CO -0.12 0.13 0.17 0.40 0.37 0.00 0.00 175.52 176.48 3h4e h ILE 73 N 0.73 1.23 -0.23 3.11 2.04 -0.87 -2.17 117.51 121.36 3h4e h ILE 73 Ca 0.42 -0.75 0.01 0.00 1.00 0.00 0.00 64.86 65.54 3h4e h ILE 73 Cb 0.46 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3h4e h ILE 73 CO -0.29 0.28 0.14 0.78 0.00 0.00 0.00 178.15 179.06 3h4e h ASN 74 N 0.71 0.22 -0.34 1.72 2.35 -0.67 -0.81 115.58 118.76 3h4e h ASN 74 Ca 0.17 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.99 3h4e h ASN 74 Cb 0.26 -0.05 -0.07 0.00 0.05 0.00 0.00 38.32 38.51 3h4e h ASN 74 CO -0.01 0.16 -0.13 -0.33 -1.65 0.00 0.00 177.43 175.48 3h4e h GLU 75 N 0.28 -0.06 -0.18 0.81 5.08 -1.06 -0.19 114.58 119.25 3h4e h GLU 75 Ca 0.09 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3h4e h GLU 75 Cb -0.01 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3h4e h GLU 75 CO -0.04 -0.04 -0.03 0.93 -1.00 0.00 0.00 179.01 178.83 3h4e h GLU 76 N -0.06 0.27 -0.05 2.33 4.39 -1.08 -0.40 114.58 119.98 3h4e h GLU 76 Ca 0.17 -0.04 -0.24 0.00 0.34 0.00 0.00 59.36 59.59 3h4e h GLU 76 Cb 0.32 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 28.94 3h4e h GLU 76 CO -0.39 0.32 -0.91 0.00 -1.16 0.00 0.00 179.01 176.87 3h4e h ALA 77 N 1.71 0.28 -0.53 3.43 0.00 -0.16 -1.19 119.26 122.80 3h4e h ALA 77 Ca 0.06 -0.66 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 3h4e h ALA 77 Cb 0.24 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3h4e h ALA 77 CO 0.01 0.72 0.20 0.00 0.00 0.00 0.00 179.25 180.18 3h4e h ALA 78 N 0.57 0.69 -0.72 0.00 0.00 -0.68 -1.58 119.26 117.54 3h4e h ALA 78 Ca -0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3h4e h ALA 78 Cb 1.55 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 3h4e h ALA 78 CO 0.18 0.31 0.35 1.49 0.00 0.00 0.00 179.25 181.58 3h4e h GLU 79 N 0.71 1.02 -0.52 0.00 4.57 -0.96 -0.57 114.58 118.83 3h4e h GLU 79 Ca 0.17 -0.13 -0.08 0.00 -1.18 0.00 0.00 59.36 58.14 3h4e h GLU 79 Cb 0.21 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 3h4e h GLU 79 CO -0.01 0.78 0.03 2.35 -1.18 0.00 0.00 179.01 180.97 3h4e h TRP 80 N 1.02 0.98 -0.65 0.92 2.91 -1.01 -1.88 115.95 118.23 3h4e h TRP 80 Ca 0.25 -0.16 -0.02 0.00 1.13 0.00 0.00 58.89 60.09 3h4e h TRP 80 Cb 0.09 -0.26 -0.03 0.00 -0.51 0.00 0.00 29.16 28.45 3h4e h TRP 80 CO 0.01 0.90 0.33 -0.44 -1.03 0.00 0.00 178.44 178.21 3h4e h ASP 81 N 0.77 0.84 -0.55 2.65 3.32 -0.68 -2.63 116.42 120.13 3h4e h ASP 81 Ca 0.15 -0.12 0.06 0.00 0.02 0.00 0.00 57.03 57.14 3h4e h ASP 81 Cb 0.49 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.77 3h4e h ASP 81 CO 0.02 0.72 0.26 -0.09 -1.72 0.00 0.00 179.24 178.43 3h4e h ARG 82 N 0.89 0.48 0.00 3.56 2.43 -0.84 -1.76 114.38 119.15 3h4e h ARG 82 Ca 0.23 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 3h4e h ARG 82 Cb 0.09 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3h4e h ARG 82 CO -0.03 0.32 0.00 1.28 -1.51 0.00 0.00 179.97 180.03 3h4e n LEU 83 N -4.90 0.00 0.00 3.80 4.77 -0.73 -5.11 117.00 114.82 3h4e n LEU 83 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3h4e n LEU 83 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3h4e n LEU 83 CO 0.27 0.00 0.00 1.41 -1.33 0.00 0.00 177.39 177.74 3h4e n HIS 84 N -0.80 0.00 -1.63 -1.77 8.25 -0.66 -5.08 115.22 113.53 3h4e n HIS 84 Ca 0.14 0.00 -0.48 0.00 -0.26 0.00 0.00 57.72 57.13 3h4e n HIS 84 Cb 0.07 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.13 3h4e n HIS 84 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 3h4e n ARG 97 N 0.00 1.64 -4.04 -0.41 0.63 -1.26 -4.79 116.66 108.43 3h4e n ARG 97 Ca 0.00 0.59 -0.31 0.00 -0.92 0.00 0.00 57.85 57.20 3h4e n ARG 97 Cb 0.00 -2.22 -0.06 0.00 0.45 0.00 0.00 32.46 30.62 3h4e n ARG 97 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 3h4e s GLU 98 N 0.09 3.05 -0.18 -0.14 4.04 -1.26 -5.05 118.70 119.26 3h4e s GLU 98 Ca 0.75 -0.57 -0.20 0.00 0.04 0.00 0.00 54.97 55.00 3h4e s GLU 98 Cb -0.78 -2.84 -0.03 0.00 0.02 0.00 0.00 34.13 30.51 3h4e s GLU 98 CO 0.47 0.60 0.59 -1.25 -1.84 0.00 0.00 175.26 173.84 3h4e s PRO 99 N -2.17 4.24 1.07 -4.83 0.05 -1.26 -5.07 135.00 127.03 3h4e s PRO 99 Ca 0.28 0.57 -0.17 0.00 0.05 0.00 0.00 61.00 61.73 3h4e s PRO 99 Cb -0.12 -3.55 0.23 0.00 0.05 0.00 0.00 34.50 31.12 3h4e s PRO 99 CO 0.20 -0.14 1.21 -0.98 0.05 0.00 0.00 177.00 177.34 3h4e s ARG 100 N 1.59 -0.17 0.14 4.56 3.03 -1.26 -4.86 118.95 121.98 3h4e s ARG 100 Ca 0.28 -0.19 -0.16 0.00 2.03 0.00 0.00 55.73 57.69 3h4e s ARG 100 Cb -0.16 -1.73 0.00 0.00 -1.03 0.00 0.00 34.95 32.03 3h4e s ARG 100 CO 0.11 -2.99 1.77 0.78 -1.13 0.00 0.00 175.30 173.83 3h4e h GLY 101 N -2.06 0.56 2.00 3.88 0.00 -1.92 -1.60 103.07 103.94 3h4e h GLY 101 Ca -0.45 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.64 3h4e h GLY 101 CO 0.38 0.23 0.00 1.48 0.00 0.00 0.00 176.54 178.64 3h4e h SER 102 N 0.50 0.00 -0.05 0.19 4.64 -1.94 -2.10 113.55 114.79 3h4e h SER 102 Ca 0.14 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.23 3h4e h SER 102 Cb 0.02 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.12 3h4e h SER 102 CO -0.02 0.00 -0.84 0.44 -0.87 0.00 0.00 176.83 175.54 3h4e h ASP 103 N 0.00 0.83 0.28 4.97 3.32 -1.63 -0.46 116.42 123.74 3h4e h ASP 103 Ca 0.00 -0.70 -0.09 0.00 0.02 0.00 0.00 57.03 56.26 3h4e h ASP 103 Cb 0.44 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3h4e h ASP 103 CO 0.00 1.41 -0.37 0.40 -1.72 0.00 0.00 179.24 178.97 3h4e h ILE 104 N 0.32 1.28 -0.09 0.35 2.04 -0.95 -2.40 117.51 118.06 3h4e h ILE 104 Ca -0.09 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.43 3h4e h ILE 104 Cb 1.49 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 3h4e h ILE 104 CO 0.17 0.39 0.00 0.00 0.00 0.00 0.00 178.15 178.71 3h4e n ALA 105 N -2.47 2.56 -1.06 1.87 0.00 -0.94 -4.63 120.51 115.84 3h4e n ALA 105 Ca -0.02 -0.38 -0.02 0.00 0.00 0.00 0.00 53.44 53.02 3h4e n ALA 105 Cb 0.42 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.68 3h4e n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h4e n GLY 106 N 1.04 0.53 0.12 0.00 0.00 -0.90 -4.89 105.19 101.08 3h4e n GLY 106 Ca 0.17 -0.26 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 3h4e n GLY 106 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3h4e h THR 107 N 0.00 1.34 0.00 2.61 2.02 -1.34 -3.38 112.91 114.16 3h4e h THR 107 Ca -0.05 -2.89 0.00 0.00 0.77 0.00 0.00 66.41 64.24 3h4e h THR 107 Cb 0.34 2.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.67 3h4e h THR 107 CO 0.07 0.85 -0.07 0.35 0.37 0.00 0.00 175.52 177.09 3h4e n THR 108 N -3.55 1.00 -4.43 3.16 -2.24 -0.90 -5.02 114.28 102.30 3h4e n THR 108 Ca -0.13 -1.13 -0.24 0.00 -2.27 0.00 0.00 64.05 60.28 3h4e n THR 108 Cb 1.05 0.33 -0.10 0.00 -2.10 0.00 0.00 70.33 69.52 3h4e n THR 108 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3h4e s SER 109 N -1.46 3.74 0.32 3.42 1.04 -1.26 -4.83 113.70 114.67 3h4e s SER 109 Ca 0.11 -0.93 0.05 0.00 0.48 0.00 0.00 55.95 55.66 3h4e s SER 109 Cb 0.09 -0.39 -0.02 0.00 0.10 0.00 0.00 66.02 65.80 3h4e s SER 109 CO 0.01 0.05 0.47 0.42 0.98 0.00 0.00 173.24 175.17 3h4e s THR 110 N -2.31 4.55 0.23 2.02 -4.23 -1.26 -4.91 115.64 109.73 3h4e s THR 110 Ca 0.28 -0.87 -0.07 0.00 -1.18 0.00 0.00 61.69 59.85 3h4e s THR 110 Cb -0.06 -3.61 0.19 0.00 1.34 0.00 0.00 72.50 70.36 3h4e s THR 110 CO 0.15 -0.28 1.83 0.25 -0.54 0.00 0.00 174.62 176.03 3h4e h LEU 111 N 0.90 0.70 -0.44 4.79 5.85 -1.99 -0.68 115.31 124.45 3h4e h LEU 111 Ca -0.48 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.30 3h4e h LEU 111 Cb 1.24 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 3h4e h LEU 111 CO 0.57 0.44 0.21 1.56 -0.34 0.00 0.00 178.44 180.88 3h4e h GLN 112 N 0.83 0.41 -0.14 1.25 7.50 -1.99 0.75 115.11 123.73 3h4e h GLN 112 Ca 0.35 -0.02 -0.00 0.00 0.50 0.00 0.00 58.65 59.47 3h4e h GLN 112 Cb 0.21 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 27.64 3h4e h GLN 112 CO -0.19 0.27 0.08 0.93 -1.50 0.00 0.00 178.83 178.42 3h4e h GLU 113 N 0.42 0.19 -0.81 1.46 5.08 -1.80 -1.90 114.58 117.22 3h4e h GLU 113 Ca 0.19 -0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.65 3h4e h GLU 113 Cb 0.11 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.24 3h4e h GLU 113 CO -0.14 0.19 0.42 1.96 -1.00 0.00 0.00 179.01 180.44 3h4e h GLN 114 N 0.13 0.64 -0.51 2.33 4.20 -0.59 -2.11 115.11 119.20 3h4e h GLN 114 Ca 0.05 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.63 3h4e h GLN 114 Cb 0.06 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3h4e h GLN 114 CO -0.01 0.42 -0.02 0.82 -0.67 0.00 0.00 178.83 179.37 3h4e h ILE 115 N 0.66 1.27 -0.15 2.54 2.04 -0.61 -2.78 117.51 120.47 3h4e h ILE 115 Ca 0.42 -1.12 0.05 0.00 1.00 0.00 0.00 64.86 65.21 3h4e h ILE 115 Cb 0.52 0.97 -0.07 0.00 -0.74 0.00 0.00 36.82 37.50 3h4e h ILE 115 CO -0.31 0.39 -0.39 1.23 0.00 0.00 0.00 178.15 179.07 3h4e h GLY 116 N 0.78 -0.60 0.86 5.37 0.00 -0.67 -2.37 103.07 106.43 3h4e h GLY 116 Ca 0.14 0.48 0.03 0.00 0.00 0.00 0.00 47.33 47.97 3h4e h GLY 116 CO 0.03 -0.22 0.28 1.49 0.00 0.00 0.00 176.54 178.11 3h4e h TRP 117 N -0.45 0.51 0.00 5.60 6.55 -1.44 -1.37 115.95 125.36 3h4e h TRP 117 Ca 0.09 0.02 -0.10 0.00 0.95 0.00 0.00 58.89 59.84 3h4e h TRP 117 Cb 0.60 -0.16 -0.01 0.00 -0.86 0.00 0.00 29.16 28.72 3h4e h TRP 117 CO -0.47 0.29 -0.48 0.52 -1.05 0.00 0.00 178.44 177.26 3h4e h MET 118 N 0.55 0.00 -0.30 0.49 2.86 -1.30 0.10 114.93 117.33 3h4e h MET 118 Ca 0.20 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 3h4e h MET 118 Cb 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 3h4e h MET 118 CO -0.10 0.48 0.00 0.25 1.06 0.00 0.00 176.91 178.60 3h4e n THR 119 N -3.83 0.54 -0.89 2.22 -2.24 -0.91 -4.64 114.28 104.53 3h4e n THR 119 Ca -0.01 -0.77 -0.30 0.00 -2.27 0.00 0.00 64.05 60.70 3h4e n THR 119 Cb 0.52 0.90 0.16 0.00 -2.10 0.00 0.00 70.33 69.80 3h4e n THR 119 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3h4e s HIS 120 N -1.21 1.91 -0.29 4.78 5.04 -0.53 -4.89 115.29 120.10 3h4e s HIS 120 Ca 0.29 1.57 0.02 0.00 -1.54 0.00 0.00 55.06 55.39 3h4e s HIS 120 Cb 0.17 -3.21 0.08 0.00 0.04 0.00 0.00 32.58 29.66 3h4e s HIS 120 CO 0.23 -2.67 0.02 0.54 -2.34 0.00 0.00 174.74 170.53 3h4e s ASN 121 N -2.94 4.24 0.56 9.88 4.22 -1.26 -0.98 114.94 128.65 3h4e s ASN 121 Ca 0.65 -1.65 -0.14 0.00 -2.14 0.00 0.00 52.86 49.58 3h4e s ASN 121 Cb -0.21 -1.27 -0.06 0.00 1.28 0.00 0.00 41.25 40.99 3h4e s ASN 121 CO 0.58 -0.33 1.00 -2.16 -2.04 0.00 0.00 177.10 174.16 3h4e s PRO 122 N 1.27 3.80 0.52 3.55 0.05 -1.26 -5.14 135.00 137.79 3h4e s PRO 122 Ca 0.04 0.88 -0.20 0.00 0.05 0.00 0.00 61.00 61.77 3h4e s PRO 122 Cb -0.19 -2.11 -0.07 0.00 0.05 0.00 0.00 34.50 32.18 3h4e s PRO 122 CO -0.12 -0.40 1.09 -2.14 0.05 0.00 0.00 177.00 175.49 3h4e s PRO 123 N -4.51 3.56 -0.39 0.56 0.02 -0.16 -5.01 135.00 129.07 3h4e s PRO 123 Ca 0.57 1.51 -0.08 0.00 0.02 0.00 0.00 61.00 63.03 3h4e s PRO 123 Cb -0.10 -2.05 0.07 0.00 0.02 0.00 0.00 34.50 32.43 3h4e s PRO 123 CO 0.40 -0.66 0.20 0.42 -0.33 0.00 0.00 177.00 177.03 3h4e s ILE 124 N -1.85 3.97 -1.40 2.83 1.01 0.34 -4.98 121.20 121.13 3h4e s ILE 124 Ca 0.70 -1.37 -0.15 0.00 0.00 0.00 0.00 60.65 59.83 3h4e s ILE 124 Cb -0.21 -3.40 0.06 0.00 0.01 0.00 0.00 42.46 38.93 3h4e s ILE 124 CO 0.24 -0.41 2.05 -0.81 0.00 0.00 0.00 174.94 176.02 3h4e n PRO 125 N 4.85 3.01 0.26 2.79 -0.05 -1.26 -3.59 135.00 141.00 3h4e n PRO 125 Ca -0.10 -2.87 0.09 0.00 -0.05 0.00 0.00 63.50 60.57 3h4e n PRO 125 Cb 0.43 -3.32 0.66 0.00 -0.05 0.00 0.00 33.50 31.22 3h4e n PRO 125 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 175.50 175.06 3h4e h VAL 126 N 4.43 0.91 0.53 0.52 -1.51 -1.91 -0.13 116.25 119.09 3h4e h VAL 126 Ca 0.52 -0.22 -0.03 0.00 -1.23 0.00 0.00 66.70 65.75 3h4e h VAL 126 Cb 0.71 1.12 0.01 0.00 -2.13 0.00 0.00 31.29 31.00 3h4e h VAL 126 CO 1.74 0.06 -0.25 1.23 -1.23 0.00 0.00 177.57 179.12 3h4e h GLY 127 N 0.22 -0.74 1.75 5.19 0.00 -1.84 -1.47 103.07 106.18 3h4e h GLY 127 Ca -0.00 0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.57 3h4e h GLY 127 CO 0.01 -0.27 0.00 0.83 0.00 0.00 0.00 176.54 177.11 3h4e h GLU 128 N -0.86 0.32 -0.11 4.80 4.39 -1.67 0.25 114.58 121.70 3h4e h GLU 128 Ca -0.07 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.54 3h4e h GLU 128 Cb 0.60 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 3h4e h GLU 128 CO 0.12 0.34 -0.07 0.82 -1.16 0.00 0.00 179.01 179.06 3h4e h ILE 129 N 0.31 1.34 -0.74 3.13 2.04 -1.04 -2.29 117.51 120.25 3h4e h ILE 129 Ca 0.07 -1.16 -0.03 0.00 1.00 0.00 0.00 64.86 64.74 3h4e h ILE 129 Cb 0.21 1.88 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 3h4e h ILE 129 CO 0.00 0.33 0.34 0.22 0.00 0.00 0.00 178.15 179.04 3h4e h TYR 130 N -0.14 1.09 -0.79 1.37 3.20 -0.85 -2.36 116.97 118.48 3h4e h TYR 130 Ca 0.02 -0.06 0.04 0.00 3.14 0.00 0.00 58.73 61.87 3h4e h TYR 130 Cb 0.56 -0.33 -0.05 0.00 1.54 0.00 0.00 36.73 38.45 3h4e h TYR 130 CO 0.08 0.81 0.52 -0.22 -1.64 0.00 0.00 178.16 177.71 3h4e h LYS 131 N 1.05 0.93 -0.67 1.82 3.64 -0.46 -1.42 116.57 121.45 3h4e h LYS 131 Ca 0.25 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.50 3h4e h LYS 131 Cb 0.15 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 3h4e h LYS 131 CO -0.03 0.61 0.11 -0.09 -2.27 0.00 0.00 179.45 177.78 3h4e h ARG 132 N 0.96 1.12 -0.16 1.90 2.43 -0.89 -0.91 114.38 118.83 3h4e h ARG 132 Ca 0.32 -0.30 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3h4e h ARG 132 Cb 0.08 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3h4e h ARG 132 CO -0.10 1.02 0.06 -1.49 -1.51 0.00 0.00 179.97 177.95 3h4e h TRP 133 N 1.04 0.24 -0.55 2.20 6.55 -1.14 -2.06 115.95 122.23 3h4e h TRP 133 Ca 0.20 -0.02 0.06 0.00 0.95 0.00 0.00 58.89 60.08 3h4e h TRP 133 Cb 0.45 -0.07 -0.05 0.00 -0.86 0.00 0.00 29.16 28.62 3h4e h TRP 133 CO 0.03 0.33 0.26 0.82 -1.05 0.00 0.00 178.44 178.83 3h4e h ILE 134 N 0.09 0.90 0.00 1.49 2.04 -1.11 -1.57 117.51 119.34 3h4e h ILE 134 Ca 0.05 -0.17 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 3h4e h ILE 134 Cb 0.19 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3h4e h ILE 134 CO -0.00 0.09 -0.33 0.40 0.00 0.00 0.00 178.15 178.30 3h4e h ILE 135 N 0.49 1.16 0.05 -0.67 2.04 -1.10 -0.16 117.51 119.31 3h4e h ILE 135 Ca 0.26 -1.18 -0.00 0.00 1.00 0.00 0.00 64.86 64.94 3h4e h ILE 135 Cb 0.21 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 3h4e h ILE 135 CO -0.21 0.33 -0.02 -0.07 0.00 0.00 0.00 178.15 178.18 3h4e h LEU 136 N 0.00 -0.06 -0.41 1.44 3.38 -0.58 -1.21 115.31 117.87 3h4e h LEU 136 Ca -0.00 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.96 3h4e h LEU 136 Cb 0.62 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 3h4e h LEU 136 CO 0.04 0.00 0.19 1.23 0.09 0.00 0.00 178.44 180.00 3h4e h GLY 137 N -0.12 0.55 1.04 0.83 0.00 -0.72 -2.64 103.07 102.01 3h4e h GLY 137 Ca -0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 3h4e h GLY 137 CO 0.01 0.09 0.43 1.41 0.00 0.00 0.00 176.54 178.48 3h4e h LEU 138 N 0.39 1.11 -0.76 3.11 3.38 -0.97 -2.22 115.31 119.35 3h4e h LEU 138 Ca 0.18 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.07 3h4e h LEU 138 Cb 0.10 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 3h4e h LEU 138 CO -0.14 0.92 0.46 0.78 0.09 0.00 0.00 178.44 180.56 3h4e h ASN 139 N 1.22 0.72 -0.02 -0.43 2.35 -0.98 0.59 115.58 119.03 3h4e h ASN 139 Ca 0.30 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 56.07 3h4e h ASN 139 Cb 0.09 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 3h4e h ASN 139 CO -0.04 0.48 -0.03 0.11 -1.65 0.00 0.00 177.43 176.30 3h4e h LYS 140 N 0.86 -0.04 -0.66 0.81 1.57 -1.06 -1.51 116.57 116.54 3h4e h LYS 140 Ca 0.33 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.15 3h4e h LYS 140 Cb 0.13 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 3h4e h LYS 140 CO -0.16 -0.03 0.40 0.82 -0.57 0.00 0.00 179.45 179.91 3h4e h ILE 141 N -0.04 1.04 -0.60 1.86 2.04 -1.13 -0.58 117.51 120.10 3h4e h ILE 141 Ca 0.02 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.67 3h4e h ILE 141 Cb 0.07 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 36.32 3h4e h ILE 141 CO -0.05 0.14 0.33 0.58 0.00 0.00 0.00 178.15 179.15 3h4e h VAL 142 N 0.76 0.98 -0.46 1.67 2.07 -0.52 -0.03 116.25 120.72 3h4e h VAL 142 Ca 0.28 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.52 3h4e h VAL 142 Cb 0.08 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 3h4e h VAL 142 CO -0.13 0.11 0.05 0.03 0.02 0.00 0.00 177.57 177.65 3h4e h ARG 143 N 0.62 0.78 -0.81 1.57 3.08 -0.81 -2.70 114.38 116.11 3h4e h ARG 143 Ca 0.26 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3h4e h ARG 143 Cb 0.14 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 3h4e h ARG 143 CO -0.16 0.81 0.42 0.52 -1.07 0.00 0.00 179.97 180.48 3h4e h MET 144 N 0.63 1.14 -0.00 0.04 2.86 -0.81 -2.97 114.93 115.82 3h4e h MET 144 Ca 0.14 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3h4e h MET 144 Cb 0.43 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.87 3h4e h MET 144 CO 0.01 0.86 -0.02 0.66 1.06 0.00 0.00 176.91 179.49 3h4e n TYR 145 N -4.38 0.00 -1.98 -0.22 4.02 -0.05 -4.83 117.16 109.72 3h4e n TYR 145 Ca 0.08 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.55 3h4e n TYR 145 Cb 0.12 -0.05 -0.02 0.00 -0.02 0.00 0.00 39.34 39.36 3h4e n TYR 145 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3h4e s SER 146 N -2.13 6.62 0.06 7.72 0.15 -1.03 -4.94 113.70 120.13 3h4e s SER 146 Ca 0.40 2.69 0.17 0.00 0.70 0.00 0.00 55.95 59.92 3h4e s SER 146 Cb 0.21 -2.62 -0.14 0.00 -1.71 0.00 0.00 66.02 61.76 3h4e s SER 146 CO 0.39 -0.74 0.80 -0.81 1.20 0.00 0.00 173.24 174.08 3h4e n PRO 147 N 2.48 0.62 -3.81 5.44 -0.05 -1.26 -4.96 135.00 133.47 3h4e n PRO 147 Ca 0.08 0.19 -0.14 0.00 -0.05 0.00 0.00 63.50 63.58 3h4e n PRO 147 Cb 0.40 -1.79 -0.15 0.00 -0.05 0.00 0.00 33.50 31.91 3h4e n PRO 147 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 175.50 176.44 3h4e s THR 148 N -2.96 -0.04 0.41 0.52 2.01 -1.26 -5.13 115.64 109.20 3h4e s THR 148 Ca -0.03 0.13 -0.24 0.00 0.31 0.00 0.00 61.69 61.85 3h4e s THR 148 Cb 0.09 -0.06 -0.08 0.00 0.01 0.00 0.00 72.50 72.46 3h4e s THR 148 CO 0.81 0.05 1.13 -0.55 -0.69 0.00 0.00 174.62 175.38 3h4e s SER 149 N 0.65 6.52 0.62 3.53 0.15 -1.26 -4.90 113.70 119.00 3h4e s SER 149 Ca -0.05 2.25 0.39 0.00 0.70 0.00 0.00 55.95 59.24 3h4e s SER 149 Cb -0.08 -2.60 2.00 0.00 -1.71 0.00 0.00 66.02 63.63 3h4e s SER 149 CO -0.02 -0.67 2.23 -0.29 1.20 0.00 0.00 173.24 175.69 3h4e h ILE 150 N 2.20 0.09 0.00 6.45 6.09 -1.96 -2.28 117.51 128.11 3h4e h ILE 150 Ca -0.49 -0.20 -0.01 0.00 -1.37 0.00 0.00 64.86 62.79 3h4e h ILE 150 Cb 1.23 1.18 -0.00 0.00 0.47 0.00 0.00 36.82 39.70 3h4e h ILE 150 CO 0.62 0.01 -0.06 -0.07 -3.07 0.00 0.00 178.15 175.58 3h4e h LEU 151 N 0.00 0.00 -1.90 2.19 3.38 -2.01 -2.97 115.31 114.01 3h4e h LEU 151 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h4e h LEU 151 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3h4e h LEU 151 CO 0.00 0.06 0.00 0.47 0.09 0.00 0.00 178.44 179.06 3h4e n ASP 152 N -3.18 2.78 -4.39 -0.43 8.00 -0.86 -4.80 116.55 113.67 3h4e n ASP 152 Ca 0.01 -2.06 -0.44 0.00 0.71 0.00 0.00 54.79 53.00 3h4e n ASP 152 Cb 0.34 -0.36 -0.08 0.00 -0.02 0.00 0.00 41.12 41.01 3h4e n ASP 152 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h4e s ILE 153 N -1.42 5.21 -0.02 0.53 -1.09 -1.12 -5.04 121.20 118.25 3h4e s ILE 153 Ca 0.33 -1.01 0.02 0.00 -2.23 0.00 0.00 60.65 57.77 3h4e s ILE 153 Cb 0.18 -4.13 0.00 0.00 -1.58 0.00 0.00 42.46 36.93 3h4e s ILE 153 CO 0.21 -0.58 -0.07 -0.13 -1.23 0.00 0.00 174.94 173.13 3h4e s ARG 154 N 1.71 0.73 0.12 2.79 0.52 -1.26 -4.87 118.95 118.70 3h4e s ARG 154 Ca 0.05 -0.26 -0.31 0.00 -0.52 0.00 0.00 55.73 54.69 3h4e s ARG 154 Cb -0.24 -0.70 -0.10 0.00 0.52 0.00 0.00 34.95 34.43 3h4e s ARG 154 CO 0.07 0.12 1.68 -1.14 0.02 0.00 0.00 175.30 176.05 3h4e s GLN 155 N 0.07 4.18 0.96 3.54 0.74 -0.74 -4.98 119.66 123.43 3h4e s GLN 155 Ca -0.01 2.44 -0.11 0.00 0.05 0.00 0.00 55.36 57.74 3h4e s GLN 155 Cb -0.06 -3.43 0.16 0.00 1.10 0.00 0.00 33.01 30.79 3h4e s GLN 155 CO -0.00 -0.73 1.08 0.41 -0.55 0.00 0.00 175.29 175.50 3h4e n GLY 156 N 3.99 -0.73 0.18 2.59 0.00 -1.26 -4.25 105.19 105.71 3h4e n GLY 156 Ca 0.16 -0.79 -0.06 0.00 0.00 0.00 0.00 46.02 45.33 3h4e n GLY 156 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3h4e h PRO 157 N -2.01 0.29 -0.32 1.61 0.11 -2.02 -3.05 132.00 126.61 3h4e h PRO 157 Ca -0.46 -0.20 0.00 0.00 0.11 0.00 0.00 66.00 65.45 3h4e h PRO 157 Cb 1.28 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3h4e h PRO 157 CO 0.42 0.80 0.00 1.63 -0.21 0.00 0.00 178.00 180.64 3h4e n LYS 158 N -3.88 2.61 -2.95 1.05 4.01 -1.26 -4.99 118.16 112.75 3h4e n LYS 158 Ca -0.03 -1.98 -0.41 0.00 -0.51 0.00 0.00 58.31 55.39 3h4e n LYS 158 Cb 0.62 -1.27 -0.04 0.00 -0.51 0.00 0.00 35.03 33.82 3h4e n LYS 158 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 3h4e s GLU 159 N -1.00 4.34 0.53 1.97 2.12 -1.16 -5.03 118.70 120.48 3h4e s GLU 159 Ca 0.23 0.96 -0.22 0.00 0.36 0.00 0.00 54.97 56.30 3h4e s GLU 159 Cb 0.12 -3.53 -0.06 0.00 0.26 0.00 0.00 34.13 30.93 3h4e s GLU 159 CO 0.16 -0.19 1.38 -2.14 -0.54 0.00 0.00 175.26 173.93 3h4e s PRO 160 N 1.68 3.24 0.22 4.30 0.02 -1.26 -4.64 135.00 138.56 3h4e s PRO 160 Ca 0.38 2.29 -0.08 0.00 0.02 0.00 0.00 61.00 63.61 3h4e s PRO 160 Cb -0.17 -2.34 0.27 0.00 0.02 0.00 0.00 34.50 32.28 3h4e s PRO 160 CO 0.15 -1.13 1.82 0.35 -0.33 0.00 0.00 177.00 177.86 3h4e h PHE 161 N 1.63 0.80 -0.62 6.54 3.57 -1.96 -2.21 116.94 124.69 3h4e h PHE 161 Ca -0.51 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.08 3h4e h PHE 161 Cb 1.29 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 39.73 3h4e h PHE 161 CO 0.47 0.39 0.31 -0.09 -2.23 0.00 0.00 178.31 177.16 3h4e h ARG 162 N 0.79 0.55 -0.57 1.11 2.43 -1.91 0.32 114.38 117.11 3h4e h ARG 162 Ca 0.33 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.43 3h4e h ARG 162 Cb 0.18 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 3h4e h ARG 162 CO -0.18 0.37 0.23 -0.44 -1.51 0.00 0.00 179.97 178.44 3h4e h ASP 163 N 0.57 0.75 -0.12 -3.80 3.32 -1.77 -0.04 116.42 115.32 3h4e h ASP 163 Ca 0.29 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 3h4e h ASP 163 Cb 0.23 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 3h4e h ASP 163 CO -0.21 0.67 -0.13 0.22 -1.72 0.00 0.00 179.24 178.08 3h4e h TYR 164 N 0.82 0.37 -0.73 4.55 3.20 -1.03 -2.31 116.97 121.83 3h4e h TYR 164 Ca 0.20 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 3h4e h TYR 164 Cb 0.15 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 3h4e h TYR 164 CO 0.01 0.71 0.43 0.28 -1.64 0.00 0.00 178.16 177.95 3h4e h VAL 165 N -0.09 1.21 -0.14 1.81 2.07 -0.77 0.80 116.25 121.14 3h4e h VAL 165 Ca 0.02 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.11 3h4e h VAL 165 Cb 0.65 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 3h4e h VAL 165 CO 0.03 0.22 -0.15 0.44 0.02 0.00 0.00 177.57 178.13 3h4e h ASP 166 N 1.00 -0.47 -0.53 0.57 3.45 -0.91 -1.53 116.42 118.00 3h4e h ASP 166 Ca 0.26 0.09 -0.07 0.00 0.43 0.00 0.00 57.03 57.74 3h4e h ASP 166 Cb -0.02 0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.95 3h4e h ASP 166 CO -0.05 -0.19 0.08 0.03 -1.57 0.00 0.00 179.24 177.54 3h4e h ARG 167 N -0.18 0.93 0.55 3.56 3.08 -0.91 -0.36 114.38 121.06 3h4e h ARG 167 Ca 0.10 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 3h4e h ARG 167 Cb 0.32 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3h4e h ARG 167 CO -0.25 0.87 -0.40 0.35 -1.07 0.00 0.00 179.97 179.47 3h4e h PHE 168 N 0.88 -1.08 -0.00 3.04 3.57 -0.52 -1.98 116.94 120.85 3h4e h PHE 168 Ca 0.18 -0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.51 3h4e h PHE 168 Cb 0.41 0.40 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 3h4e h PHE 168 CO 0.03 -0.59 -0.75 1.88 -2.23 0.00 0.00 178.31 176.65 3h4e h TYR 169 N -0.92 0.05 -0.34 0.41 0.05 -1.23 -1.31 116.97 113.68 3h4e h TYR 169 Ca -0.06 -0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.75 3h4e h TYR 169 Cb 0.77 -0.01 -0.05 0.00 1.01 0.00 0.00 36.73 38.46 3h4e h TYR 169 CO -0.15 0.77 0.02 -0.22 -1.05 0.00 0.00 178.16 177.53 3h4e h LYS 170 N 0.02 0.12 -0.21 4.88 3.64 -1.07 -1.08 116.57 122.86 3h4e h LYS 170 Ca -0.01 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3h4e h LYS 170 Cb 1.33 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 3h4e h LYS 170 CO 0.10 0.08 0.01 1.15 -2.27 0.00 0.00 179.45 178.52 3h4e h THR 171 N 0.12 1.25 -0.81 1.00 2.02 -1.08 -2.70 112.91 112.72 3h4e h THR 171 Ca 0.16 -0.86 0.05 0.00 0.77 0.00 0.00 66.41 66.54 3h4e h THR 171 Cb 0.21 1.40 -0.06 0.00 -1.74 0.00 0.00 68.15 67.97 3h4e h THR 171 CO -0.26 0.26 0.50 0.25 0.37 0.00 0.00 175.52 176.64 3h4e h LEU 172 N 0.14 0.79 -0.79 2.58 5.85 -1.18 -2.07 115.31 120.63 3h4e h LEU 172 Ca 0.06 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 3h4e h LEU 172 Cb 0.38 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 3h4e h LEU 172 CO 0.01 0.51 0.30 -0.09 -0.34 0.00 0.00 178.44 178.84 3h4e h ARG 173 N 0.92 1.19 -0.30 1.25 2.43 -1.07 -2.62 114.38 116.19 3h4e h ARG 173 Ca 0.35 -0.22 -0.16 0.00 -0.81 0.00 0.00 59.98 59.14 3h4e h ARG 173 Cb 0.14 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3h4e h ARG 173 CO -0.16 0.97 -0.45 0.00 -1.51 0.00 0.00 179.97 178.82 3h4e h ALA 174 N 1.16 0.64 -0.65 2.80 0.00 -1.18 0.13 119.26 122.16 3h4e h ALA 174 Ca 0.26 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 3h4e h ALA 174 Cb 0.23 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3h4e h ALA 174 CO -0.02 0.67 0.12 0.93 0.00 0.00 0.00 179.25 180.95 3h4e h GLU 175 N 0.62 1.06 -0.01 0.00 4.39 -1.27 -3.08 114.58 116.30 3h4e h GLU 175 Ca 0.04 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.47 3h4e h GLU 175 Cb 1.02 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 3h4e h GLU 175 CO 0.10 0.97 -0.69 1.04 -1.16 0.00 0.00 179.01 179.26 3h4e n GLN 176 N -4.22 0.55 -3.94 2.33 6.02 -1.00 -4.77 117.38 112.35 3h4e n GLN 176 Ca 0.04 -0.44 -0.29 0.00 -0.01 0.00 0.00 57.00 56.31 3h4e n GLN 176 Cb 0.28 -1.49 0.01 0.00 1.02 0.00 0.00 30.24 30.06 3h4e n GLN 176 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h4e n ALA 177 N -0.84 -1.54 -3.47 -1.58 0.00 0.38 -4.96 120.51 108.49 3h4e n ALA 177 Ca 0.07 0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.39 3h4e n ALA 177 Cb 0.39 -3.31 -0.03 0.00 0.00 0.00 0.00 19.45 16.50 3h4e n ALA 177 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h4e s SER 178 N -3.69 -0.55 0.00 0.00 0.15 -0.69 -5.03 113.70 103.89 3h4e s SER 178 Ca 0.44 0.22 0.13 0.00 0.70 0.00 0.00 55.95 57.44 3h4e s SER 178 Cb -0.23 0.54 -0.03 0.00 -1.71 0.00 0.00 66.02 64.59 3h4e s SER 178 CO 0.86 -0.79 0.70 0.00 1.20 0.00 0.00 173.24 175.21 3h4e n GLN 179 N 0.05 2.08 -2.83 5.44 6.02 -1.26 -4.00 117.38 122.88 3h4e n GLN 179 Ca -0.16 -0.57 -0.43 0.00 -0.01 0.00 0.00 57.00 55.83 3h4e n GLN 179 Cb 0.62 -1.16 -0.01 0.00 1.02 0.00 0.00 30.24 30.71 3h4e n GLN 179 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3h4e s GLU 180 N -1.73 3.86 0.00 -1.09 8.01 -1.26 -4.52 118.70 121.96 3h4e s GLU 180 Ca 0.10 -2.04 0.00 0.00 0.01 0.00 0.00 54.97 53.04 3h4e s GLU 180 Cb 0.10 -5.14 0.00 0.00 -4.31 0.00 0.00 34.13 24.78 3h4e s GLU 180 CO 0.36 -1.91 0.00 1.33 0.01 0.00 0.00 175.26 175.05 3h4e n VAL 181 N 5.49 0.00 -1.85 2.63 0.24 -1.26 -4.97 118.33 118.61 3h4e n VAL 181 Ca 0.34 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.43 3h4e n VAL 181 Cb 0.46 0.04 -0.08 0.00 -1.47 0.00 0.00 33.84 32.79 3h4e n VAL 181 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 3h4e s LYS 182 N -0.84 1.90 0.54 7.34 -2.85 -1.26 -4.73 119.74 119.84 3h4e s LYS 182 Ca 0.00 -0.74 0.04 0.00 -1.00 0.00 0.00 55.97 54.27 3h4e s LYS 182 Cb 0.00 -5.10 0.04 0.00 -2.06 0.00 0.00 37.83 30.71 3h4e s LYS 182 CO 0.00 -4.63 0.35 0.27 0.10 0.00 0.00 175.35 171.45 3h4e n ASN 183 N 16.82 2.85 0.26 0.03 0.23 -1.26 -4.98 115.26 129.21 3h4e n ASN 183 Ca 0.43 -2.94 0.08 0.00 -0.53 0.00 0.00 54.58 51.62 3h4e n ASN 183 Cb 0.47 0.01 0.64 0.00 -2.08 0.00 0.00 39.78 38.82 3h4e n ASN 183 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3h4e h ALA 184 N 0.76 1.82 0.08 -2.53 0.00 -1.99 -0.98 119.26 116.41 3h4e h ALA 184 Ca -0.36 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 3h4e h ALA 184 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3h4e h ALA 184 CO 0.57 0.07 -0.04 0.00 0.00 0.00 0.00 179.25 179.85 3h4e h ALA 185 N 1.94 -0.11 -0.25 0.00 0.00 -1.96 -1.31 119.26 117.58 3h4e h ALA 185 Ca -0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3h4e h ALA 185 Cb 0.11 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3h4e h ALA 185 CO 0.01 -0.39 -0.14 1.79 0.00 0.00 0.00 179.25 180.51 3h4e h THR 186 N -0.45 1.22 -0.84 0.00 1.35 -1.77 -0.89 112.91 111.54 3h4e h THR 186 Ca -0.01 -1.00 -0.01 0.00 -0.55 0.00 0.00 66.41 64.84 3h4e h THR 186 Cb 0.38 1.19 -0.04 0.00 -1.73 0.00 0.00 68.15 67.95 3h4e h THR 186 CO 0.02 0.32 0.49 -0.33 -0.25 0.00 0.00 175.52 175.76 3h4e h GLU 187 N 0.40 1.15 -0.22 4.72 5.08 -1.04 -0.32 114.58 124.36 3h4e h GLU 187 Ca 0.07 -0.12 -0.19 0.00 -1.00 0.00 0.00 59.36 58.13 3h4e h GLU 187 Cb 0.49 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 3h4e h GLU 187 CO 0.03 0.83 -0.61 1.79 -1.00 0.00 0.00 179.01 180.05 3h4e h THR 188 N 1.16 1.30 0.00 1.13 1.35 -0.87 -3.17 112.91 113.80 3h4e h THR 188 Ca 0.30 -1.83 -0.11 0.00 -0.55 0.00 0.00 66.41 64.22 3h4e h THR 188 Cb -0.01 1.78 -0.02 0.00 -1.73 0.00 0.00 68.15 68.17 3h4e h THR 188 CO -0.05 0.58 -0.51 0.25 -0.25 0.00 0.00 175.52 175.54 3h4e h LEU 189 N 0.54 0.00 -0.02 3.87 5.85 -0.92 -1.68 115.31 122.95 3h4e h LEU 189 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3h4e h LEU 189 Cb 1.20 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 3h4e h LEU 189 CO 0.12 0.51 -0.02 0.25 -0.34 0.00 0.00 178.44 178.96 3h4e h LEU 190 N 0.00 0.06 -0.57 2.25 5.85 -1.08 -2.31 115.31 119.51 3h4e h LEU 190 Ca -0.01 -0.46 -0.10 0.00 0.84 0.00 0.00 57.88 58.15 3h4e h LEU 190 Cb 0.92 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 3h4e h LEU 190 CO 0.07 0.51 -0.04 0.58 -0.34 0.00 0.00 178.44 179.21 3h4e h VAL 191 N -0.39 1.27 -1.00 1.05 2.07 -1.56 -2.99 116.25 114.69 3h4e h VAL 191 Ca 0.00 -1.19 0.03 0.00 0.82 0.00 0.00 66.70 66.37 3h4e h VAL 191 Cb 0.49 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 3h4e h VAL 191 CO 0.00 0.43 0.66 -0.61 0.02 0.00 0.00 177.57 178.07 3h4e h GLN 192 N 0.92 1.25 -0.34 1.57 4.15 -1.29 -2.69 115.11 118.69 3h4e h GLN 192 Ca 0.16 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.50 3h4e h GLN 192 Cb 0.60 -0.28 0.00 0.00 0.21 0.00 0.00 27.48 28.01 3h4e h GLN 192 CO 0.04 0.83 0.00 0.09 -1.93 0.00 0.00 178.83 177.85 3h4e n ASN 193 N -4.43 2.40 -4.78 -0.69 3.02 -0.87 -4.90 115.26 105.00 3h4e n ASN 193 Ca 0.13 -1.89 -0.34 0.00 -0.03 0.00 0.00 54.58 52.46 3h4e n ASN 193 Cb 0.08 -0.22 0.01 0.00 -0.61 0.00 0.00 39.78 39.04 3h4e n ASN 193 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h4e s ALA 194 N -1.56 2.66 0.96 5.41 0.00 -1.01 -1.79 121.76 126.42 3h4e s ALA 194 Ca 0.33 0.61 -0.11 0.00 0.00 0.00 0.00 51.96 52.79 3h4e s ALA 194 Cb 0.18 -3.30 0.17 0.00 0.00 0.00 0.00 23.12 20.16 3h4e s ALA 194 CO 0.25 -0.87 1.09 0.54 0.00 0.00 0.00 175.76 176.77 3h4e s ASN 195 N -2.27 2.79 0.14 0.00 2.20 -1.26 -4.56 114.94 111.97 3h4e s ASN 195 Ca 0.68 1.67 -0.20 0.00 -0.94 0.00 0.00 52.86 54.07 3h4e s ASN 195 Cb -0.20 -2.31 -0.00 0.00 -2.00 0.00 0.00 41.25 36.74 3h4e s ASN 195 CO 0.33 -3.10 1.69 -0.65 -2.94 0.00 0.00 177.10 172.43 3h4e h PRO 196 N -1.86 -0.04 0.04 3.55 0.11 -1.94 0.98 132.00 132.84 3h4e h PRO 196 Ca -0.51 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.62 3h4e h PRO 196 Cb 1.29 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 3h4e h PRO 196 CO 0.50 -0.02 -0.14 -0.44 -0.21 0.00 0.00 178.00 177.69 3h4e h ASP 197 N -0.04 -0.39 -0.61 -2.05 3.32 -1.97 -2.69 116.42 111.99 3h4e h ASP 197 Ca 0.12 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.13 3h4e h ASP 197 Cb 0.21 0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3h4e h ASP 197 CO -0.25 -0.20 0.02 0.00 -1.72 0.00 0.00 179.24 177.09 3h4e h LYS 199 N 0.96 0.80 -0.10 0.00 3.64 -0.60 -0.19 116.57 121.08 3h4e h LYS 199 Ca 0.18 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.43 3h4e h LYS 199 Cb 0.53 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3h4e h LYS 199 CO 0.03 0.53 -0.24 1.79 -2.27 0.00 0.00 179.45 179.29 3h4e h THR 200 N 0.82 1.40 -0.80 1.00 1.35 -1.46 -2.30 112.91 112.92 3h4e h THR 200 Ca 0.47 -1.55 0.04 0.00 -0.55 0.00 0.00 66.41 64.82 3h4e h THR 200 Cb 0.55 2.15 -0.05 0.00 -1.73 0.00 0.00 68.15 69.08 3h4e h THR 200 CO -0.30 0.45 0.53 0.40 -0.25 0.00 0.00 175.52 176.34 3h4e h ILE 201 N -0.11 1.11 -0.12 6.82 2.04 -1.42 -1.89 117.51 123.95 3h4e h ILE 201 Ca -0.00 -0.33 -0.13 0.00 1.00 0.00 0.00 64.86 65.40 3h4e h ILE 201 Cb 0.84 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 3h4e h ILE 201 CO 0.05 0.18 -0.42 -0.07 0.00 0.00 0.00 178.15 177.88 3h4e h LEU 202 N 0.96 0.57 -2.16 1.44 3.38 -1.03 -2.77 115.31 115.70 3h4e h LEU 202 Ca 0.32 -0.62 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 3h4e h LEU 202 Cb 0.08 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3h4e h LEU 202 CO -0.10 1.09 -0.01 0.11 0.09 0.00 0.00 178.44 179.62 3h4e h LYS 203 N 0.08 0.00 -0.37 1.13 1.57 -1.26 -2.33 116.57 115.39 3h4e h LYS 203 Ca -0.02 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 3h4e h LYS 203 Cb 1.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 3h4e h LYS 203 CO 0.09 0.01 -0.33 0.00 -0.57 0.00 0.00 179.45 178.65 3h4e h ALA 204 N 1.99 0.71 0.00 3.86 0.00 -1.09 -2.82 119.26 121.91 3h4e h ALA 204 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3h4e h ALA 204 Cb 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3h4e h ALA 204 CO 0.00 0.66 0.03 1.37 0.00 0.00 0.00 179.25 181.32 3h4e h LEU 205 N 0.70 0.00 0.00 0.00 -0.00 -1.15 -3.48 115.31 111.38 3h4e h LEU 205 Ca 0.07 0.00 0.13 0.00 -0.00 0.00 0.00 57.88 58.08 3h4e h LEU 205 Cb 0.89 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.52 3h4e h LEU 205 CO 0.08 0.00 -0.17 0.61 -0.00 0.00 0.00 178.44 178.96 3h4e n GLY 206 N -1.28 -2.01 3.82 0.17 0.00 -1.07 -4.82 105.19 100.00 3h4e n GLY 206 Ca -0.01 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 3h4e n GLY 206 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3h4e s PRO 207 N -1.18 2.57 -0.51 1.61 0.02 -1.26 -4.20 135.00 132.05 3h4e s PRO 207 Ca 0.00 0.79 0.00 0.00 0.02 0.00 0.00 61.00 61.81 3h4e s PRO 207 Cb 0.00 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.56 3h4e s PRO 207 CO 0.00 -1.32 0.00 0.41 -0.33 0.00 0.00 177.00 175.76 3h4e n GLY 208 N -2.10 0.61 3.76 0.52 0.00 -1.26 -5.01 105.19 101.71 3h4e n GLY 208 Ca 0.07 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 3h4e n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h4e s ALA 209 N -2.20 3.40 0.53 4.61 0.00 -1.26 -5.06 121.76 121.78 3h4e s ALA 209 Ca 0.00 0.37 -0.17 0.00 0.00 0.00 0.00 51.96 52.15 3h4e s ALA 209 Cb 0.00 -3.01 -0.07 0.00 0.00 0.00 0.00 23.12 20.04 3h4e s ALA 209 CO 0.00 0.18 1.02 0.95 0.00 0.00 0.00 175.76 177.92 3h4e s THR 210 N -0.68 4.05 0.38 0.00 -4.23 -1.26 -4.90 115.64 109.00 3h4e s THR 210 Ca 0.38 1.07 0.09 0.00 -1.18 0.00 0.00 61.69 62.05 3h4e s THR 210 Cb -0.22 -3.51 0.31 0.00 1.34 0.00 0.00 72.50 70.42 3h4e s THR 210 CO 0.26 -0.48 1.93 0.25 -0.54 0.00 0.00 174.62 176.04 3h4e h LEU 211 N 0.96 0.59 -0.07 4.79 5.85 -1.99 -0.70 115.31 124.74 3h4e h LEU 211 Ca -0.48 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.28 3h4e h LEU 211 Cb 1.21 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 3h4e h LEU 211 CO 0.59 0.35 -0.05 -0.08 -0.34 0.00 0.00 178.44 178.91 3h4e h GLU 212 N 0.66 -0.06 -0.33 1.25 4.81 -1.99 -1.40 114.58 117.51 3h4e h GLU 212 Ca 0.35 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.61 3h4e h GLU 212 Cb 0.49 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 3h4e h GLU 212 CO -0.13 -0.04 0.16 0.93 -0.73 0.00 0.00 179.01 179.20 3h4e h GLU 213 N -0.06 0.32 -0.85 1.92 5.08 -1.54 -1.50 114.58 117.95 3h4e h GLU 213 Ca 0.05 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.44 3h4e h GLU 213 Cb 0.13 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 3h4e h GLU 213 CO -0.11 0.21 0.54 0.52 -1.00 0.00 0.00 179.01 179.16 3h4e h MET 214 N 0.33 0.98 -0.03 2.33 2.86 -1.18 -1.30 114.93 118.92 3h4e h MET 214 Ca 0.14 -0.06 -0.18 0.00 -2.06 0.00 0.00 59.70 57.54 3h4e h MET 214 Cb 0.06 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 3h4e h MET 214 CO -0.10 0.65 -0.77 0.52 1.06 0.00 0.00 176.91 178.26 3h4e h MET 215 N 1.01 0.23 -0.53 1.72 2.86 -0.88 -2.69 114.93 116.65 3h4e h MET 215 Ca 0.35 -0.21 -0.07 0.00 -2.06 0.00 0.00 59.70 57.71 3h4e h MET 215 Cb 0.09 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3h4e h MET 215 CO -0.14 0.89 0.04 1.15 1.06 0.00 0.00 176.91 179.91 3h4e h THR 216 N 0.14 1.26 -0.97 2.22 2.02 -1.05 -3.15 112.91 113.39 3h4e h THR 216 Ca -0.03 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 66.12 3h4e h THR 216 Cb 1.36 0.88 -0.05 0.00 -1.74 0.00 0.00 68.15 68.60 3h4e h THR 216 CO 0.12 0.37 0.61 0.00 0.37 0.00 0.00 175.52 176.99 3h4e h ALA 217 N 0.97 1.26 -0.69 6.16 0.00 -1.07 -3.09 119.26 122.80 3h4e h ALA 217 Ca 0.16 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 3h4e h ALA 217 Cb 0.47 -0.39 -0.09 0.00 0.00 0.00 0.00 17.79 17.79 3h4e h ALA 217 CO 0.02 0.66 0.18 0.00 0.00 0.00 0.00 179.25 180.11