#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 2.49 0.33 4.25 1.01 -0.00 -0.63 121.20 128.65 3h4e s ILE 2 Ca 0.00 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 59.88 3h4e s ILE 2 Cb 0.00 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 3h4e s ILE 2 CO 0.00 0.51 0.10 0.68 0.00 0.00 0.00 174.94 176.23 3h4e s VAL 3 N 1.18 0.74 -0.18 2.92 -7.23 -0.38 -4.77 120.40 112.69 3h4e s VAL 3 Ca 0.02 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.06 3h4e s VAL 3 Cb -0.14 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.17 3h4e s VAL 3 CO -0.07 0.00 0.24 -1.58 -0.31 0.00 0.00 175.10 173.38 3h4e s GLN 4 N -3.85 4.22 0.00 4.82 0.74 -1.26 -0.28 119.66 124.05 3h4e s GLN 4 Ca 0.33 -0.02 0.00 0.00 0.05 0.00 0.00 55.36 55.72 3h4e s GLN 4 Cb 0.06 -3.44 0.00 0.00 1.10 0.00 0.00 33.01 30.73 3h4e s GLN 4 CO 0.15 0.23 0.00 0.27 -0.55 0.00 0.00 175.29 175.39 3h4e n ASN 5 N 3.66 0.00 0.05 6.67 0.23 -0.48 -4.95 115.26 120.44 3h4e n ASN 5 Ca -0.13 -0.63 -0.07 0.00 -0.53 0.00 0.00 54.58 53.21 3h4e n ASN 5 Cb 0.52 0.00 -0.12 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 0.01 0.00 -4.53 3.38 -1.99 -3.01 115.31 109.18 3h4e h LEU 6 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3h4e h LEU 6 Cb 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3h4e h LEU 6 CO 0.00 1.01 0.00 0.00 0.09 0.00 0.00 178.44 179.54 3h4e n GLN 7 N -3.30 0.61 -1.00 1.13 1.13 -1.26 -4.85 117.38 109.83 3h4e n GLN 7 Ca -0.03 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 55.03 3h4e n GLN 7 Cb 0.96 -1.46 -0.00 0.00 0.11 0.00 0.00 30.24 29.85 3h4e n GLN 7 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3h4e n GLY 8 N 0.20 0.48 3.87 1.08 0.00 -1.14 -5.04 105.19 104.64 3h4e n GLY 8 Ca 0.13 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 3h4e n GLY 8 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h4e s GLN 9 N -0.16 3.85 -0.43 1.61 -0.21 -1.26 -4.83 119.66 118.23 3h4e s GLN 9 Ca 0.00 0.32 -0.28 0.00 0.02 0.00 0.00 55.36 55.42 3h4e s GLN 9 Cb 0.00 -2.78 0.02 0.00 1.00 0.00 0.00 33.01 31.26 3h4e s GLN 9 CO 0.00 0.40 1.06 -1.64 -2.12 0.00 0.00 175.29 172.99 3h4e s MET 10 N -2.46 3.78 0.19 2.91 -1.94 -1.26 -1.38 119.30 119.15 3h4e s MET 10 Ca 0.43 0.61 0.10 0.00 -1.71 0.00 0.00 55.69 55.11 3h4e s MET 10 Cb -0.13 -3.86 -0.04 0.00 2.01 0.00 0.00 34.83 32.81 3h4e s MET 10 CO 0.20 -1.20 -0.14 0.14 -0.01 0.00 0.00 175.02 174.01 3h4e s VAL 11 N 4.05 2.90 0.29 -6.03 -7.23 0.62 -4.90 120.40 110.09 3h4e s VAL 11 Ca 0.44 -1.83 -0.28 0.00 -1.81 0.00 0.00 61.98 58.50 3h4e s VAL 11 Cb -0.09 -2.43 -0.09 0.00 0.56 0.00 0.00 36.38 34.32 3h4e s VAL 11 CO 0.26 -0.14 1.00 -2.28 -0.31 0.00 0.00 175.10 173.63 3h4e s HIS 12 N -1.76 3.72 0.02 2.82 5.65 -1.26 -1.24 115.29 123.23 3h4e s HIS 12 Ca 0.24 1.79 0.02 0.00 0.25 0.00 0.00 55.06 57.36 3h4e s HIS 12 Cb -0.08 -3.08 -0.01 0.00 -1.18 0.00 0.00 32.58 28.23 3h4e s HIS 12 CO 0.14 -0.02 -0.06 -1.14 -0.65 0.00 0.00 174.74 173.01 3h4e s GLN 13 N -1.60 0.42 0.37 2.88 0.74 0.20 -4.93 119.66 117.73 3h4e s GLN 13 Ca 0.46 -0.42 -0.27 0.00 0.05 0.00 0.00 55.36 55.18 3h4e s GLN 13 Cb -0.26 -0.29 -0.09 0.00 1.10 0.00 0.00 33.01 33.47 3h4e s GLN 13 CO 0.32 0.07 1.28 0.00 -0.55 0.00 0.00 175.29 176.41 3h4e s ILE 15 N -1.23 2.56 0.30 0.00 2.07 -1.26 -4.62 121.20 119.03 3h4e s ILE 15 Ca 0.53 0.50 -0.15 0.00 -1.41 0.00 0.00 60.65 60.12 3h4e s ILE 15 Cb -0.38 -3.32 -0.09 0.00 0.13 0.00 0.00 42.46 38.81 3h4e s ILE 15 CO 0.49 0.09 0.71 -0.94 -1.91 0.00 0.00 174.94 173.38 3h4e s SER 16 N 0.17 6.78 0.37 4.50 1.04 -1.26 -4.96 113.70 120.34 3h4e s SER 16 Ca 0.57 1.24 0.11 0.00 0.48 0.00 0.00 55.95 58.35 3h4e s SER 16 Cb -0.42 -2.36 0.89 0.00 0.10 0.00 0.00 66.02 64.23 3h4e s SER 16 CO 0.47 -0.17 1.85 -0.65 0.98 0.00 0.00 173.24 175.72 3h4e h PRO 17 N 2.39 0.60 -0.42 4.02 0.11 -1.99 -1.21 132.00 135.49 3h4e h PRO 17 Ca -0.48 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 3h4e h PRO 17 Cb 1.18 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3h4e h PRO 17 CO 0.66 0.40 0.12 -0.09 -0.21 0.00 0.00 178.00 178.88 3h4e h ARG 18 N 0.62 0.67 -0.04 1.05 2.43 -1.99 -1.37 114.38 115.74 3h4e h ARG 18 Ca 0.47 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.49 3h4e h ARG 18 Cb 0.88 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.33 3h4e h ARG 18 CO -0.22 0.66 0.02 1.15 -1.51 0.00 0.00 179.97 180.08 3h4e h THR 19 N 0.55 1.08 -0.43 0.20 2.02 -1.76 -1.30 112.91 113.27 3h4e h THR 19 Ca 0.14 -0.23 0.07 0.00 0.77 0.00 0.00 66.41 67.15 3h4e h THR 19 Cb 0.28 1.16 -0.06 0.00 -1.74 0.00 0.00 68.15 67.79 3h4e h THR 19 CO -0.00 0.07 0.08 -0.07 0.37 0.00 0.00 175.52 175.97 3h4e h LEU 20 N -0.02 0.00 -0.41 2.58 3.38 -1.17 -2.21 115.31 117.46 3h4e h LEU 20 Ca 0.02 0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 3h4e h LEU 20 Cb 0.09 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3h4e h LEU 20 CO -0.00 0.04 -0.11 -1.13 0.09 0.00 0.00 178.44 177.33 3h4e h ASN 21 N 0.21 0.80 -0.03 -0.43 -1.24 -1.20 -2.63 115.58 111.06 3h4e h ASN 21 Ca 0.21 -0.37 0.03 0.00 0.71 0.00 0.00 56.30 56.88 3h4e h ASN 21 Cb 0.26 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.06 3h4e h ASN 21 CO -0.28 0.98 -0.14 0.00 -1.29 0.00 0.00 177.43 176.70 3h4e h ALA 22 N 0.85 -0.14 -0.15 1.57 0.00 -0.92 -1.09 119.26 119.37 3h4e h ALA 22 Ca 0.10 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3h4e h ALA 22 Cb 0.64 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3h4e h ALA 22 CO 0.04 -0.63 0.09 2.35 0.00 0.00 0.00 179.25 181.11 3h4e h TRP 23 N -0.23 0.18 -0.83 0.00 2.91 -1.40 -0.76 115.95 115.83 3h4e h TRP 23 Ca 0.06 0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.15 3h4e h TRP 23 Cb 0.31 -0.06 -0.06 0.00 -0.51 0.00 0.00 29.16 28.83 3h4e h TRP 23 CO -0.22 0.11 0.50 0.28 -1.03 0.00 0.00 178.44 178.09 3h4e h VAL 24 N 0.19 1.02 -0.42 2.65 2.07 -1.31 -2.43 116.25 118.02 3h4e h VAL 24 Ca 0.05 -0.31 -0.13 0.00 0.82 0.00 0.00 66.70 67.13 3h4e h VAL 24 Cb -0.02 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.77 3h4e h VAL 24 CO -0.02 0.17 -0.24 0.11 0.02 0.00 0.00 177.57 177.61 3h4e h LYS 25 N 0.91 0.91 -0.47 1.57 1.79 -0.78 -1.78 116.57 118.71 3h4e h LYS 25 Ca 0.37 -0.41 0.04 0.00 -2.18 0.00 0.00 60.65 58.47 3h4e h LYS 25 Cb 0.20 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.79 3h4e h LYS 25 CO -0.18 1.07 0.22 0.28 -1.08 0.00 0.00 179.45 179.75 3h4e h VAL 26 N 0.73 0.93 -0.49 0.50 2.07 -0.93 0.17 116.25 119.22 3h4e h VAL 26 Ca 0.09 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 3h4e h VAL 26 Cb 0.82 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3h4e h VAL 26 CO 0.07 0.08 0.19 0.58 0.02 0.00 0.00 177.57 178.51 3h4e h VAL 27 N 0.43 1.21 -0.78 2.57 2.07 -1.33 0.66 116.25 121.08 3h4e h VAL 27 Ca 0.21 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 67.08 3h4e h VAL 27 Cb 0.14 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 3h4e h VAL 27 CO -0.16 0.25 0.50 -0.33 0.02 0.00 0.00 177.57 177.85 3h4e h GLU 28 N 0.66 0.98 0.04 1.57 5.08 -0.87 -1.67 114.58 120.37 3h4e h GLU 28 Ca 0.16 -0.06 -0.28 0.00 -1.00 0.00 0.00 59.36 58.19 3h4e h GLU 28 Cb 0.20 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3h4e h GLU 28 CO -0.01 0.65 -1.47 0.93 -1.00 0.00 0.00 179.01 178.10 3h4e h GLU 29 N 1.01 0.09 -0.00 2.33 5.08 -0.43 -3.39 114.58 119.27 3h4e h GLU 29 Ca 0.30 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3h4e h GLU 29 Cb -0.05 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3h4e h GLU 29 CO -0.09 0.87 -0.00 1.63 -1.00 0.00 0.00 179.01 180.41 3h4e n LYS 30 N -3.28 0.74 0.00 2.33 4.76 0.20 -5.07 118.16 117.85 3h4e n LYS 30 Ca -0.13 -0.42 0.00 0.00 -2.87 0.00 0.00 58.31 54.89 3h4e n LYS 30 Cb 1.02 -0.91 0.00 0.00 -1.84 0.00 0.00 35.03 33.30 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 -0.19 0.00 -1.73 7.82 0.00 -0.63 -1.71 120.51 124.07 3h4e n ALA 31 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 3h4e n ALA 31 Cb 0.01 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.60 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 13.23 1.21 -1.68 0.00 3.72 -1.26 -4.74 117.46 127.94 3h4e n PHE 32 Ca 0.00 -1.82 -0.40 0.00 -0.05 0.00 0.00 57.45 55.18 3h4e n PHE 32 Cb 0.00 -0.34 0.02 0.00 -0.94 0.00 0.00 39.48 38.21 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 -0.97 2.11 -0.32 4.37 2.88 -0.69 -4.55 113.62 116.45 3h4e n SER 33 Ca 0.31 1.05 0.17 0.00 -1.33 0.00 0.00 58.87 59.07 3h4e n SER 33 Cb 0.83 -1.46 0.42 0.00 -0.75 0.00 0.00 64.21 63.25 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 1.75 0.55 0.00 -1.46 0.11 -1.92 -1.44 132.00 129.59 3h4e h PRO 34 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3h4e h PRO 34 Cb 1.31 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3h4e h PRO 34 CO 0.58 0.36 0.00 -0.85 -0.21 0.00 0.00 178.00 177.88 3h4e n GLU 35 N -4.66 0.09 0.22 1.05 0.00 -1.26 -2.07 120.64 114.01 3h4e n GLU 35 Ca 0.23 0.40 0.06 0.00 0.00 0.00 0.00 57.16 57.85 3h4e n GLU 35 Cb 0.69 -1.70 0.51 0.00 0.00 0.00 0.00 31.44 30.94 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 1.08 0.05 3.84 2.07 -1.61 -3.08 116.25 118.60 3h4e h VAL 36 Ca 0.00 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 3h4e h VAL 36 Cb 0.23 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3h4e h VAL 36 CO 0.00 0.21 -0.02 0.40 0.02 0.00 0.00 177.57 178.17 3h4e h ILE 37 N 0.00 1.28 -0.54 4.57 2.04 -1.62 -0.91 117.51 122.34 3h4e h ILE 37 Ca -0.00 -1.16 0.13 0.00 1.00 0.00 0.00 64.86 64.82 3h4e h ILE 37 Cb 0.39 2.04 -0.03 0.00 -0.74 0.00 0.00 36.82 38.48 3h4e h ILE 37 CO 0.03 0.29 0.37 -0.65 0.00 0.00 0.00 178.15 178.19 3h4e h PRO 38 N -0.59 0.15 -0.22 2.37 0.11 -1.74 -1.21 132.00 130.88 3h4e h PRO 38 Ca -0.01 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.93 3h4e h PRO 38 Cb 0.52 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.60 3h4e h PRO 38 CO 0.01 0.10 -0.49 1.98 -0.21 0.00 0.00 178.00 179.39 3h4e h MET 39 N 0.16 0.72 -0.34 1.05 4.05 -1.42 -2.18 114.93 116.97 3h4e h MET 39 Ca 0.26 -0.48 -0.00 0.00 -0.28 0.00 0.00 59.70 59.19 3h4e h MET 39 Cb 0.80 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.65 3h4e h MET 39 CO -0.04 1.11 0.19 0.35 0.23 0.00 0.00 176.91 178.75 3h4e h PHE 40 N 0.44 0.46 -0.90 1.39 3.57 -0.53 -0.27 116.94 121.10 3h4e h PHE 40 Ca 0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 3h4e h PHE 40 Cb 1.10 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.65 3h4e h PHE 40 CO 0.09 0.35 0.59 1.03 -2.23 0.00 0.00 178.31 178.14 3h4e h SER 41 N 0.43 1.00 0.02 0.41 0.87 -1.20 -1.37 113.55 113.72 3h4e h SER 41 Ca 0.12 -0.02 -0.27 0.00 -1.23 0.00 0.00 61.79 60.39 3h4e h SER 41 Cb 0.04 -0.24 0.02 0.00 -0.44 0.00 0.00 62.40 61.78 3h4e h SER 41 CO -0.02 0.71 -1.07 0.00 -0.53 0.00 0.00 176.83 175.92 3h4e h ALA 42 N 1.46 0.12 0.00 6.23 0.00 -1.20 -3.14 119.26 122.73 3h4e h ALA 42 Ca 0.34 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3h4e h ALA 42 Cb -0.07 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3h4e h ALA 42 CO -0.09 0.69 0.00 -0.07 0.00 0.00 0.00 179.25 179.78 3h4e h LEU 43 N 0.38 0.00 -3.47 0.00 3.38 -0.81 -2.75 115.31 112.04 3h4e h LEU 43 Ca -0.14 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 3h4e h LEU 43 Cb 1.72 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.41 3h4e h LEU 43 CO 0.21 0.00 0.08 -1.54 0.09 0.00 0.00 178.44 177.28 3h4e n SER 44 N -2.88 4.12 -4.70 -0.43 3.41 -0.54 -4.98 113.62 107.63 3h4e n SER 44 Ca -0.00 -3.22 -0.42 0.00 -0.26 0.00 0.00 58.87 54.97 3h4e n SER 44 Cb 0.22 -0.64 -0.03 0.00 -0.26 0.00 0.00 64.21 63.50 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 4.19 0.46 3.77 0.00 0.00 -1.26 -4.85 105.19 107.50 3h4e n GLY 46 Ca 0.17 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.90 3.29 0.52 4.61 0.00 -0.65 -0.82 121.76 126.81 3h4e s ALA 47 Ca 0.00 1.11 -0.09 0.00 0.00 0.00 0.00 51.96 52.98 3h4e s ALA 47 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 3h4e s ALA 47 CO 0.00 -0.60 0.88 0.95 0.00 0.00 0.00 175.76 176.98 3h4e s THR 48 N -1.28 4.80 0.41 0.00 -4.23 -1.26 -4.41 115.64 109.67 3h4e s THR 48 Ca 0.54 0.55 0.18 0.00 -1.18 0.00 0.00 61.69 61.77 3h4e s THR 48 Cb -0.35 -3.84 0.38 0.00 1.34 0.00 0.00 72.50 70.03 3h4e s THR 48 CO 0.45 -0.90 1.82 -0.65 -0.54 0.00 0.00 174.62 174.80 3h4e h PRO 49 N 0.22 0.41 -0.10 3.99 0.11 -1.85 0.28 132.00 135.06 3h4e h PRO 49 Ca -0.46 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3h4e h PRO 49 Cb 1.20 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3h4e h PRO 49 CO 0.62 0.27 0.05 0.37 -0.21 0.00 0.00 178.00 179.10 3h4e h GLN 50 N 0.42 0.14 -0.63 1.05 4.15 -1.90 -1.38 115.11 116.96 3h4e h GLN 50 Ca 0.53 -0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.99 3h4e h GLN 50 Cb 1.31 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.92 3h4e h GLN 50 CO -0.23 0.19 0.34 -0.44 -1.93 0.00 0.00 178.83 176.76 3h4e h ASP 51 N 0.06 0.50 -0.29 -0.69 3.32 -1.51 -1.08 116.42 116.73 3h4e h ASP 51 Ca 0.03 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.16 3h4e h ASP 51 Cb 0.09 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 3h4e h ASP 51 CO -0.01 0.33 0.03 -0.07 -1.72 0.00 0.00 179.24 177.80 3h4e h LEU 52 N 0.63 -0.06 -1.06 1.55 3.38 -0.80 -1.56 115.31 117.39 3h4e h LEU 52 Ca 0.28 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.28 3h4e h LEU 52 Cb 0.18 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3h4e h LEU 52 CO -0.18 0.00 0.29 0.78 0.09 0.00 0.00 178.44 179.42 3h4e h ASN 53 N 0.12 0.87 -0.49 -0.43 2.35 -0.71 -2.12 115.58 115.17 3h4e h ASN 53 Ca 0.14 -0.11 0.05 0.00 -0.55 0.00 0.00 56.30 55.83 3h4e h ASN 53 Cb 0.16 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.26 3h4e h ASN 53 CO -0.21 0.76 0.22 0.74 -1.65 0.00 0.00 177.43 177.30 3h4e h THR 54 N 0.95 0.92 -0.26 2.81 2.02 -0.65 0.13 112.91 118.82 3h4e h THR 54 Ca 0.23 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 3h4e h THR 54 Cb 0.14 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3h4e h THR 54 CO -0.02 0.08 0.08 0.24 0.37 0.00 0.00 175.52 176.26 3h4e h MET 55 N 0.44 0.41 0.06 6.66 2.86 -0.71 -2.03 114.93 122.61 3h4e h MET 55 Ca 0.22 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3h4e h MET 55 Cb 0.17 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3h4e h MET 55 CO -0.18 0.48 -0.03 -0.07 1.06 0.00 0.00 176.91 178.17 3h4e h LEU 56 N 0.25 -0.07 -1.50 1.22 3.38 -1.23 -3.13 115.31 114.24 3h4e h LEU 56 Ca 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3h4e h LEU 56 Cb 0.25 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3h4e h LEU 56 CO -0.00 0.01 0.00 0.78 0.09 0.00 0.00 178.44 179.32 3h4e h ASN 57 N -0.13 0.00 0.76 -0.43 2.35 -0.64 -2.16 115.58 115.32 3h4e h ASN 57 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3h4e h ASN 57 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 3h4e h ASN 57 CO 0.01 0.00 -0.11 0.35 -1.65 0.00 0.00 177.43 176.04 3h4e n THR 58 N -2.65 0.00 -2.33 2.81 -2.24 -0.77 -4.76 114.28 104.34 3h4e n THR 58 Ca 0.00 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 3h4e n THR 58 Cb 0.19 -0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.08 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 -2.86 3.81 -0.23 2.28 1.01 -0.81 -4.96 120.40 118.64 3h4e s VAL 59 Ca 0.18 1.28 -0.19 0.00 0.00 0.00 0.00 61.98 63.24 3h4e s VAL 59 Cb 0.19 -3.82 -0.16 0.00 0.00 0.00 0.00 36.38 32.59 3h4e s VAL 59 CO 0.54 0.08 0.03 0.61 0.00 0.00 0.00 175.10 176.35 3h4e n GLY 60 N 3.37 -0.73 0.00 4.51 0.00 -1.26 -4.99 105.19 106.08 3h4e n GLY 60 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 1.39 0.65 4.12 -0.02 0.00 -1.26 -4.68 105.19 105.38 3h4e n GLY 61 Ca -0.37 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.83 0.19 1.61 8.25 -1.26 -4.85 115.22 117.33 3h4e n HIS 62 Ca 0.00 0.81 0.05 0.00 -0.26 0.00 0.00 57.72 58.32 3h4e n HIS 62 Cb 0.00 -3.29 0.36 0.00 1.12 0.00 0.00 29.99 28.18 3h4e n HIS 62 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 3h4e h GLN 63 N -1.67 0.00 0.08 -0.41 1.08 -1.96 -0.68 115.11 111.55 3h4e h GLN 63 Ca -0.60 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 56.61 3h4e h GLN 63 Cb 1.38 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.79 3h4e h GLN 63 CO 0.73 0.37 -0.13 0.00 -0.95 0.00 0.00 178.83 178.86 3h4e h ALA 64 N 1.63 -0.21 -0.40 3.87 0.00 -1.99 -0.15 119.26 122.00 3h4e h ALA 64 Ca -0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3h4e h ALA 64 Cb 0.84 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 3h4e h ALA 64 CO 0.05 -0.64 0.23 0.00 0.00 0.00 0.00 179.25 178.89 3h4e h ALA 65 N 0.63 0.51 -0.34 0.00 0.00 -1.75 -1.18 119.26 117.13 3h4e h ALA 65 Ca 0.02 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3h4e h ALA 65 Cb 0.27 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3h4e h ALA 65 CO -0.07 -0.10 0.23 0.52 0.00 0.00 0.00 179.25 179.82 3h4e h MET 66 N 0.47 0.39 -0.06 0.00 2.07 -0.99 -0.22 114.93 116.59 3h4e h MET 66 Ca 0.16 -0.02 -0.18 0.00 -2.07 0.00 0.00 59.70 57.59 3h4e h MET 66 Cb 0.02 -0.09 0.01 0.00 -1.87 0.00 0.00 31.60 29.67 3h4e h MET 66 CO -0.08 0.26 -0.65 0.37 1.07 0.00 0.00 176.91 177.87 3h4e h GLN 67 N 0.40 0.55 -0.84 1.72 5.75 -0.35 -2.25 115.11 120.08 3h4e h GLN 67 Ca 0.13 -0.51 0.07 0.00 -0.15 0.00 0.00 58.65 58.19 3h4e h GLN 67 Cb 0.04 0.13 -0.06 0.00 1.07 0.00 0.00 27.48 28.66 3h4e h GLN 67 CO -0.03 1.14 0.52 0.52 -2.65 0.00 0.00 178.83 178.32 3h4e h MET 68 N 0.14 0.90 -0.78 1.69 2.86 -0.62 -2.26 114.93 116.86 3h4e h MET 68 Ca -0.06 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 3h4e h MET 68 Cb 1.32 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 32.74 3h4e h MET 68 CO 0.13 0.60 0.45 1.25 1.06 0.00 0.00 176.91 180.40 3h4e h LEU 69 N 0.93 0.95 -1.01 1.22 5.85 -0.95 -1.16 115.31 121.14 3h4e h LEU 69 Ca 0.38 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 3h4e h LEU 69 Cb 0.20 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3h4e h LEU 69 CO -0.19 0.75 0.37 0.11 -0.34 0.00 0.00 178.44 179.15 3h4e h LYS 70 N 1.07 1.08 -0.16 1.25 6.56 -0.86 -1.04 116.57 124.47 3h4e h LYS 70 Ca 0.28 -0.14 -0.01 0.00 -1.06 0.00 0.00 60.65 59.72 3h4e h LYS 70 Cb -0.01 -0.20 -0.01 0.00 -0.57 0.00 0.00 32.23 31.44 3h4e h LYS 70 CO -0.05 0.82 0.07 0.93 -2.06 0.00 0.00 179.45 179.17 3h4e h GLU 71 N 1.07 0.22 -0.41 3.15 5.08 -0.82 -1.44 114.58 121.43 3h4e h GLU 71 Ca 0.26 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.66 3h4e h GLU 71 Cb 0.09 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 3h4e h GLU 71 CO -0.04 0.27 0.08 1.15 -1.00 0.00 0.00 179.01 179.47 3h4e h THR 72 N 0.12 0.78 -0.71 1.13 2.02 -0.94 -0.96 112.91 114.35 3h4e h THR 72 Ca 0.05 -0.07 0.05 0.00 0.77 0.00 0.00 66.41 67.21 3h4e h THR 72 Cb 0.12 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 67.03 3h4e h THR 72 CO -0.01 0.04 0.43 0.40 0.37 0.00 0.00 175.52 176.75 3h4e h ILE 73 N 0.21 1.03 -0.70 3.11 2.04 -0.98 -0.97 117.51 121.24 3h4e h ILE 73 Ca 0.20 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 3h4e h ILE 73 Cb 0.25 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 3h4e h ILE 73 CO -0.27 0.15 0.30 0.78 0.00 0.00 0.00 178.15 179.10 3h4e h ASN 74 N 0.80 0.94 0.17 1.72 2.35 -0.66 -0.35 115.58 120.55 3h4e h ASN 74 Ca 0.30 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 3h4e h ASN 74 Cb 0.12 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.24 3h4e h ASN 74 CO -0.15 0.83 -0.08 -0.33 -1.65 0.00 0.00 177.43 176.05 3h4e h GLU 75 N 1.01 -0.22 -0.65 0.81 5.08 -0.09 -1.16 114.58 119.36 3h4e h GLU 75 Ca 0.24 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 3h4e h GLU 75 Cb 0.17 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 3h4e h GLU 75 CO -0.02 -0.14 0.34 0.93 -1.00 0.00 0.00 179.01 179.12 3h4e h GLU 76 N -0.23 0.90 -0.37 2.33 4.39 -0.88 -0.53 114.58 120.18 3h4e h GLU 76 Ca -0.02 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.53 3h4e h GLU 76 Cb 0.18 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3h4e h GLU 76 CO 0.04 0.67 0.06 0.00 -1.16 0.00 0.00 179.01 178.62 3h4e h ALA 77 N 1.47 0.49 -0.62 3.43 0.00 -0.82 -0.25 119.26 122.96 3h4e h ALA 77 Ca 0.23 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3h4e h ALA 77 Cb 0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3h4e h ALA 77 CO -0.04 0.20 0.28 0.00 0.00 0.00 0.00 179.25 179.69 3h4e h ALA 78 N 0.91 0.80 -0.75 0.00 0.00 -0.71 -1.22 119.26 118.29 3h4e h ALA 78 Ca 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3h4e h ALA 78 Cb 0.36 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3h4e h ALA 78 CO 0.01 0.39 0.43 1.49 0.00 0.00 0.00 179.25 181.57 3h4e h GLU 79 N 0.86 1.03 -0.30 0.00 4.57 -0.89 -0.78 114.58 119.07 3h4e h GLU 79 Ca 0.21 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 3h4e h GLU 79 Cb 0.15 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 3h4e h GLU 79 CO -0.02 0.74 0.13 2.35 -1.18 0.00 0.00 179.01 181.03 3h4e h TRP 80 N 1.04 0.45 -0.81 0.92 2.91 -0.61 -2.19 115.95 117.66 3h4e h TRP 80 Ca 0.27 -0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.25 3h4e h TRP 80 Cb -0.01 -0.14 -0.04 0.00 -0.51 0.00 0.00 29.16 28.46 3h4e h TRP 80 CO 0.01 0.43 0.46 -0.44 -1.03 0.00 0.00 178.44 177.86 3h4e h ASP 81 N 0.34 0.99 -0.84 2.65 3.32 -0.73 -0.96 116.42 121.20 3h4e h ASP 81 Ca 0.10 -0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.10 3h4e h ASP 81 Cb 0.16 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.41 3h4e h ASP 81 CO -0.01 0.78 0.55 -0.09 -1.72 0.00 0.00 179.24 178.75 3h4e h ARG 82 N 1.12 1.06 -0.01 3.56 2.43 -0.93 -2.48 114.38 119.14 3h4e h ARG 82 Ca 0.29 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3h4e h ARG 82 Cb -0.00 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.31 3h4e h ARG 82 CO -0.05 0.70 -0.09 1.28 -1.51 0.00 0.00 179.97 180.30 3h4e n LEU 83 N -4.53 0.82 -3.33 3.80 4.77 -0.76 -4.29 117.00 113.48 3h4e n LEU 83 Ca 0.09 -0.20 -0.26 0.00 -0.03 0.00 0.00 56.01 55.62 3h4e n LEU 83 Cb 0.05 -0.09 -0.09 0.00 -2.33 0.00 0.00 43.42 40.96 3h4e n LEU 83 CO 0.35 0.14 -0.30 1.41 -1.33 0.00 0.00 177.39 177.67 3h4e n HIS 84 N -0.56 -0.53 -3.04 -1.77 8.25 -0.44 -5.08 115.22 112.06 3h4e n HIS 84 Ca 0.17 -3.44 -0.35 0.00 -0.26 0.00 0.00 57.72 53.83 3h4e n HIS 84 Cb 0.29 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.33 3h4e n HIS 84 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3h4e s PRO 85 N -0.51 4.25 0.50 -0.41 0.02 -1.22 -4.72 135.00 132.91 3h4e s PRO 85 Ca 0.34 0.92 -0.23 0.00 0.02 0.00 0.00 61.00 62.05 3h4e s PRO 85 Cb 0.09 -2.72 -0.07 0.00 0.02 0.00 0.00 34.50 31.82 3h4e s PRO 85 CO -0.16 0.30 1.28 1.33 -0.33 0.00 0.00 177.00 179.42 3h4e n VAL 86 N 0.37 3.23 0.00 3.83 0.24 -1.26 -5.16 118.33 119.59 3h4e n VAL 86 Ca 0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 3h4e n VAL 86 Cb 0.52 -1.58 0.00 0.00 -1.47 0.00 0.00 33.84 31.31 3h4e n VAL 86 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h4e n GLY 94 N 0.83 0.00 3.64 7.63 0.00 -1.26 -5.30 105.19 110.73 3h4e n GLY 94 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3h4e n GLY 94 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3h4e s GLN 95 N 0.00 4.14 0.37 1.61 2.00 -1.26 -5.04 119.66 121.48 3h4e s GLN 95 Ca 0.00 0.46 -0.28 0.00 -2.00 0.00 0.00 55.36 53.55 3h4e s GLN 95 Cb 0.00 -3.61 -0.10 0.00 0.80 0.00 0.00 33.01 30.10 3h4e s GLN 95 CO 0.00 -0.30 1.36 1.41 -0.50 0.00 0.00 175.29 177.26 3h4e s MET 96 N 2.12 4.13 0.25 1.67 -2.45 -1.26 -4.98 119.30 118.78 3h4e s MET 96 Ca 0.25 2.30 -0.30 0.00 -1.25 0.00 0.00 55.69 56.69 3h4e s MET 96 Cb -0.16 -2.92 -0.09 0.00 1.25 0.00 0.00 34.83 32.91 3h4e s MET 96 CO 0.09 -0.41 1.09 0.50 1.05 0.00 0.00 175.02 177.34 3h4e s ARG 97 N -2.05 4.65 0.32 4.11 3.52 -1.26 -5.05 118.95 123.19 3h4e s ARG 97 Ca 0.53 1.75 0.01 0.00 -0.13 0.00 0.00 55.73 57.90 3h4e s ARG 97 Cb -0.41 -3.22 -0.03 0.00 -1.56 0.00 0.00 34.95 29.72 3h4e s ARG 97 CO 0.55 0.20 0.51 -1.21 -0.81 0.00 0.00 175.30 174.53 3h4e s GLU 98 N -1.11 3.48 0.11 5.12 2.02 -1.26 -5.06 118.70 121.99 3h4e s GLU 98 Ca 0.46 -0.41 -0.29 0.00 0.02 0.00 0.00 54.97 54.74 3h4e s GLU 98 Cb -0.31 -2.71 -0.06 0.00 0.10 0.00 0.00 34.13 31.15 3h4e s GLU 98 CO 0.38 0.21 0.94 -2.14 0.02 0.00 0.00 175.26 174.68 3h4e s PRO 99 N -4.21 4.68 0.98 0.39 0.02 -1.26 -5.07 135.00 130.52 3h4e s PRO 99 Ca 0.39 1.41 -0.15 0.00 0.02 0.00 0.00 61.00 62.66 3h4e s PRO 99 Cb -0.10 -3.37 0.19 0.00 0.02 0.00 0.00 34.50 31.24 3h4e s PRO 99 CO 0.34 0.23 1.22 1.03 -0.33 0.00 0.00 177.00 179.49 3h4e s ARG 100 N -0.03 0.58 0.20 5.54 1.81 -1.26 -4.89 118.95 120.90 3h4e s ARG 100 Ca 0.46 -0.11 -0.11 0.00 -1.72 0.00 0.00 55.73 54.25 3h4e s ARG 100 Cb -0.23 -1.81 0.13 0.00 -0.45 0.00 0.00 34.95 32.59 3h4e s ARG 100 CO 0.29 -2.50 1.87 0.78 -0.68 0.00 0.00 175.30 175.06 3h4e h GLY 101 N -1.71 0.98 2.00 -3.53 0.00 -1.92 -1.91 103.07 96.98 3h4e h GLY 101 Ca -0.46 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.50 3h4e h GLY 101 CO 0.47 0.36 0.00 -1.14 0.00 0.00 0.00 176.54 176.23 3h4e n SER 102 N -4.60 0.50 0.01 0.19 3.41 -1.26 -2.26 113.62 109.61 3h4e n SER 102 Ca 0.06 0.56 -0.18 0.00 -0.26 0.00 0.00 58.87 59.05 3h4e n SER 102 Cb 0.02 -0.69 -0.11 0.00 -0.26 0.00 0.00 64.21 63.17 3h4e n SER 102 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3h4e h ASP 103 N 0.00 0.53 -0.37 4.04 3.32 -1.68 -0.60 116.42 121.67 3h4e h ASP 103 Ca 0.00 -0.78 -0.03 0.00 0.02 0.00 0.00 57.03 56.25 3h4e h ASP 103 Cb 0.59 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3h4e h ASP 103 CO 0.00 1.24 0.15 0.40 -1.72 0.00 0.00 179.24 179.32 3h4e h ILE 104 N -0.12 1.17 -0.01 0.35 2.04 -1.18 -1.71 117.51 118.05 3h4e h ILE 104 Ca -0.08 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.23 3h4e h ILE 104 Cb 1.35 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 3h4e h ILE 104 CO 0.12 0.21 0.00 0.00 0.00 0.00 0.00 178.15 178.48 3h4e n ALA 105 N -2.47 2.64 -1.11 1.87 0.00 -0.96 -4.61 120.51 115.86 3h4e n ALA 105 Ca 0.03 -0.27 -0.04 0.00 0.00 0.00 0.00 53.44 53.16 3h4e n ALA 105 Cb 0.16 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 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 1.02 0.66 0.12 0.00 0.00 -0.64 -4.89 105.19 101.45 3h4e n GLY 106 Ca 0.21 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 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 1.07 0.00 2.61 2.02 -1.36 -3.38 112.91 113.86 3h4e h THR 107 Ca -0.08 -2.73 0.00 0.00 0.77 0.00 0.00 66.41 64.37 3h4e h THR 107 Cb 0.39 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 3h4e h THR 107 CO 0.12 0.80 -0.04 0.35 0.37 0.00 0.00 175.52 177.12 3h4e n THR 108 N -3.44 1.28 -4.39 3.16 -2.24 -0.73 -5.02 114.28 102.91 3h4e n THR 108 Ca -0.18 -1.46 -0.24 0.00 -2.27 0.00 0.00 64.05 59.90 3h4e n THR 108 Cb 1.05 0.18 -0.11 0.00 -2.10 0.00 0.00 70.33 69.35 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 -1.82 3.10 0.47 3.42 1.04 -1.26 -4.83 113.70 113.82 3h4e s SER 109 Ca 0.15 -0.89 0.02 0.00 0.48 0.00 0.00 55.95 55.70 3h4e s SER 109 Cb 0.13 -0.21 0.01 0.00 0.10 0.00 0.00 66.02 66.05 3h4e s SER 109 CO 0.01 0.03 0.68 0.42 0.98 0.00 0.00 173.24 175.37 3h4e s THR 110 N -2.00 3.46 0.25 2.02 -4.23 -1.26 -4.89 115.64 109.00 3h4e s THR 110 Ca 0.20 -0.63 -0.06 0.00 -1.18 0.00 0.00 61.69 60.02 3h4e s THR 110 Cb -0.06 -3.27 0.26 0.00 1.34 0.00 0.00 72.50 70.77 3h4e s THR 110 CO 0.09 -0.18 1.93 0.25 -0.54 0.00 0.00 174.62 176.17 3h4e h LEU 111 N 0.34 1.15 -0.68 4.79 5.85 -1.99 -1.07 115.31 123.70 3h4e h LEU 111 Ca -0.44 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 3h4e h LEU 111 Cb 1.27 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 3h4e h LEU 111 CO 0.54 0.83 0.38 -0.61 -0.34 0.00 0.00 178.44 179.25 3h4e h GLN 112 N 1.36 0.94 -0.21 1.25 4.15 -1.99 0.47 115.11 121.07 3h4e h GLN 112 Ca 0.37 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 59.66 3h4e h GLN 112 Cb -0.15 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.34 3h4e h GLN 112 CO -0.08 0.70 0.02 0.93 -1.93 0.00 0.00 178.83 178.47 3h4e h GLU 113 N 0.93 0.36 -0.66 1.69 5.08 -1.88 -0.61 114.58 119.49 3h4e h GLU 113 Ca 0.24 -0.11 0.08 0.00 -1.00 0.00 0.00 59.36 58.58 3h4e h GLU 113 Cb 0.02 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.17 3h4e h GLU 113 CO -0.04 0.53 0.31 1.96 -1.00 0.00 0.00 179.01 180.77 3h4e h GLN 114 N 0.15 0.53 -0.32 2.33 4.20 -0.94 -0.06 115.11 121.00 3h4e h GLN 114 Ca 0.06 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.67 3h4e h GLN 114 Cb 0.35 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 3h4e h GLN 114 CO 0.01 0.35 -0.08 0.82 -0.67 0.00 0.00 178.83 179.26 3h4e h ILE 115 N 0.55 1.22 0.15 2.54 2.04 -0.77 -2.05 117.51 121.19 3h4e h ILE 115 Ca 0.32 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 3h4e h ILE 115 Cb 0.33 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3h4e h ILE 115 CO -0.26 0.32 -0.07 1.23 0.00 0.00 0.00 178.15 179.37 3h4e h GLY 116 N 0.91 -0.20 0.96 5.37 0.00 0.58 -2.12 103.07 108.55 3h4e h GLY 116 Ca 0.10 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 3h4e h GLY 116 CO 0.02 -0.07 0.19 1.49 0.00 0.00 0.00 176.54 178.17 3h4e h TRP 117 N -0.23 0.56 0.00 5.60 6.55 -1.13 -2.51 115.95 124.79 3h4e h TRP 117 Ca -0.02 -0.03 -0.06 0.00 0.95 0.00 0.00 58.89 59.73 3h4e h TRP 117 Cb 0.18 -0.17 -0.01 0.00 -0.86 0.00 0.00 29.16 28.30 3h4e h TRP 117 CO -0.06 0.46 -0.30 0.52 -1.05 0.00 0.00 178.44 178.02 3h4e h MET 118 N 0.49 0.00 -0.30 0.49 2.86 -1.30 0.23 114.93 117.41 3h4e h MET 118 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3h4e h MET 118 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3h4e h MET 118 CO -0.02 0.30 0.00 0.25 1.06 0.00 0.00 176.91 178.50 3h4e n THR 119 N -3.77 1.34 -1.51 2.22 -2.24 -0.80 -4.67 114.28 104.86 3h4e n THR 119 Ca -0.01 -1.24 -0.30 0.00 -2.27 0.00 0.00 64.05 60.22 3h4e n THR 119 Cb 0.39 0.30 0.08 0.00 -2.10 0.00 0.00 70.33 68.99 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 -1.49 2.90 -0.28 4.78 5.04 -0.95 -4.91 115.29 120.37 3h4e s HIS 120 Ca 0.27 1.32 0.02 0.00 -1.54 0.00 0.00 55.06 55.13 3h4e s HIS 120 Cb 0.17 -3.01 0.07 0.00 0.04 0.00 0.00 32.58 29.86 3h4e s HIS 120 CO 0.13 -1.58 -0.03 1.21 -2.34 0.00 0.00 174.74 172.13 3h4e s ASN 121 N -3.77 4.37 0.57 9.88 2.47 -1.26 -0.62 114.94 126.58 3h4e s ASN 121 Ca 0.60 -1.59 -0.13 0.00 0.42 0.00 0.00 52.86 52.16 3h4e s ASN 121 Cb -0.15 -1.43 -0.05 0.00 -1.45 0.00 0.00 41.25 38.16 3h4e s ASN 121 CO 0.55 -0.27 1.00 -2.16 -3.72 0.00 0.00 177.10 172.49 3h4e s PRO 122 N 1.15 3.73 0.60 0.43 0.05 -1.26 -5.14 135.00 134.56 3h4e s PRO 122 Ca -0.01 0.79 -0.16 0.00 0.05 0.00 0.00 61.00 61.67 3h4e s PRO 122 Cb -0.19 -2.12 -0.03 0.00 0.05 0.00 0.00 34.50 32.21 3h4e s PRO 122 CO -0.08 -0.43 1.09 -2.14 0.05 0.00 0.00 177.00 175.49 3h4e s PRO 123 N -4.72 3.15 -0.37 0.56 0.02 0.21 -5.01 135.00 128.84 3h4e s PRO 123 Ca 0.56 1.36 -0.03 0.00 0.02 0.00 0.00 61.00 62.92 3h4e s PRO 123 Cb -0.11 -2.00 0.09 0.00 0.02 0.00 0.00 34.50 32.50 3h4e s PRO 123 CO 0.45 -0.97 0.13 0.42 -0.33 0.00 0.00 177.00 176.70 3h4e s ILE 124 N -2.25 3.22 -1.25 2.83 1.01 0.06 -4.98 121.20 119.84 3h4e s ILE 124 Ca 0.67 -1.79 -0.15 0.00 0.00 0.00 0.00 60.65 59.38 3h4e s ILE 124 Cb -0.19 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 3h4e s ILE 124 CO 0.36 -0.48 2.24 -0.81 0.00 0.00 0.00 174.94 176.25 3h4e n PRO 125 N 4.61 2.54 -0.09 2.79 -0.05 -1.26 -3.54 135.00 139.99 3h4e n PRO 125 Ca -0.06 -2.24 0.16 0.00 -0.05 0.00 0.00 63.50 61.31 3h4e n PRO 125 Cb 0.42 -3.05 0.56 0.00 -0.05 0.00 0.00 33.50 31.38 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 3.94 0.81 -0.20 0.52 -1.51 -1.91 0.87 116.25 118.76 3h4e h VAL 126 Ca 0.57 -0.10 -0.01 0.00 -1.23 0.00 0.00 66.70 65.93 3h4e h VAL 126 Cb 0.55 0.49 -0.01 0.00 -2.13 0.00 0.00 31.29 30.20 3h4e h VAL 126 CO 1.86 0.05 0.09 1.23 -1.23 0.00 0.00 177.57 179.57 3h4e h GLY 127 N 0.29 0.31 1.72 5.19 0.00 -1.84 -0.22 103.07 108.52 3h4e h GLY 127 Ca 0.31 -0.16 -0.16 0.00 0.00 0.00 0.00 47.33 47.31 3h4e h GLY 127 CO -0.07 0.15 -0.67 0.83 0.00 0.00 0.00 176.54 176.78 3h4e h GLU 128 N 0.18 0.28 -0.06 4.80 4.39 -1.46 -0.59 114.58 122.11 3h4e h GLU 128 Ca 0.07 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 3h4e h GLU 128 Cb 0.15 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3h4e h GLU 128 CO -0.01 0.85 -0.00 0.82 -1.16 0.00 0.00 179.01 179.51 3h4e h ILE 129 N 0.20 1.26 -0.89 3.13 2.04 -0.82 -2.05 117.51 120.38 3h4e h ILE 129 Ca -0.02 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.03 3h4e h ILE 129 Cb 1.21 1.68 -0.04 0.00 -0.74 0.00 0.00 36.82 38.93 3h4e h ILE 129 CO 0.11 0.22 0.56 0.22 0.00 0.00 0.00 178.15 179.26 3h4e h TYR 130 N -0.19 1.16 -0.45 1.37 3.20 -0.95 -2.38 116.97 118.73 3h4e h TYR 130 Ca 0.02 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 3h4e h TYR 130 Cb 0.36 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 3h4e h TYR 130 CO 0.04 0.75 0.20 -0.22 -1.64 0.00 0.00 178.16 177.30 3h4e h LYS 131 N 1.22 0.63 -0.55 1.82 3.64 -0.99 -1.38 116.57 120.96 3h4e h LYS 131 Ca 0.32 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 3h4e h LYS 131 Cb -0.09 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 3h4e h LYS 131 CO -0.06 0.51 0.27 -0.09 -2.27 0.00 0.00 179.45 177.81 3h4e h ARG 132 N 0.63 0.79 -0.50 1.90 2.43 -0.85 -1.21 114.38 117.57 3h4e h ARG 132 Ca 0.16 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 3h4e h ARG 132 Cb 0.09 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 3h4e h ARG 132 CO -0.02 0.64 0.17 -1.49 -1.51 0.00 0.00 179.97 177.76 3h4e h TRP 133 N 0.74 0.80 -0.66 2.20 6.55 -1.15 -1.95 115.95 122.48 3h4e h TRP 133 Ca 0.19 -0.08 -0.02 0.00 0.95 0.00 0.00 58.89 59.93 3h4e h TRP 133 Cb 0.10 -0.23 -0.03 0.00 -0.86 0.00 0.00 29.16 28.14 3h4e h TRP 133 CO -0.01 0.69 0.32 0.82 -1.05 0.00 0.00 178.44 179.21 3h4e h ILE 134 N 0.68 1.22 -0.12 1.49 2.04 -1.08 -2.23 117.51 119.51 3h4e h ILE 134 Ca 0.16 -0.61 -0.09 0.00 1.00 0.00 0.00 64.86 65.32 3h4e h ILE 134 Cb 0.25 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3h4e h ILE 134 CO -0.01 0.26 -0.32 0.40 0.00 0.00 0.00 178.15 178.48 3h4e h ILE 135 N 0.91 1.27 0.01 -0.67 2.04 -1.09 0.27 117.51 120.24 3h4e h ILE 135 Ca 0.23 -1.29 0.01 0.00 1.00 0.00 0.00 64.86 64.81 3h4e h ILE 135 Cb 0.11 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 3h4e h ILE 135 CO -0.03 0.39 -0.05 -0.07 0.00 0.00 0.00 178.15 178.39 3h4e h LEU 136 N 0.21 -0.15 -0.61 1.44 3.38 -0.84 -0.23 115.31 118.50 3h4e h LEU 136 Ca 0.03 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3h4e h LEU 136 Cb 0.68 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 3h4e h LEU 136 CO 0.05 -0.08 0.37 1.23 0.09 0.00 0.00 178.44 180.10 3h4e h GLY 137 N -0.10 0.89 1.25 0.83 0.00 -1.09 -2.43 103.07 102.43 3h4e h GLY 137 Ca 0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 3h4e h GLY 137 CO -0.05 0.36 0.39 1.41 0.00 0.00 0.00 176.54 178.65 3h4e h LEU 138 N 0.83 0.88 -0.55 3.11 3.38 -0.73 -2.20 115.31 120.02 3h4e h LEU 138 Ca 0.22 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3h4e h LEU 138 Cb -0.02 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3h4e h LEU 138 CO -0.04 0.71 0.28 0.78 0.09 0.00 0.00 178.44 180.25 3h4e h ASN 139 N 0.99 0.71 -0.32 -0.43 2.35 -0.69 -0.64 115.58 117.56 3h4e h ASN 139 Ca 0.25 -0.12 0.06 0.00 -0.55 0.00 0.00 56.30 55.94 3h4e h ASN 139 Cb 0.02 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.16 3h4e h ASN 139 CO -0.04 0.63 -0.02 0.11 -1.65 0.00 0.00 177.43 176.46 3h4e h LYS 140 N 0.74 0.07 -0.73 0.81 1.57 -1.03 -1.89 116.57 116.11 3h4e h LYS 140 Ca 0.19 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 3h4e h LYS 140 Cb 0.10 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 3h4e h LYS 140 CO -0.03 0.05 0.33 0.82 -0.57 0.00 0.00 179.45 180.05 3h4e h ILE 141 N 0.07 1.24 -0.76 1.86 2.04 -1.03 -1.09 117.51 119.85 3h4e h ILE 141 Ca 0.16 -0.71 0.01 0.00 1.00 0.00 0.00 64.86 65.32 3h4e h ILE 141 Cb 0.22 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 3h4e h ILE 141 CO -0.27 0.29 0.50 0.58 0.00 0.00 0.00 178.15 179.25 3h4e h VAL 142 N 1.03 1.18 -0.16 1.67 2.07 -0.91 -0.51 116.25 120.62 3h4e h VAL 142 Ca 0.25 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3h4e h VAL 142 Cb 0.15 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 3h4e h VAL 142 CO -0.03 0.18 0.08 -0.09 0.02 0.00 0.00 177.57 177.74 3h4e h ARG 143 N 1.01 0.23 -0.83 1.57 2.43 -0.90 -2.62 114.38 115.27 3h4e h ARG 143 Ca 0.28 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 3h4e h ARG 143 Cb -0.10 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.37 3h4e h ARG 143 CO -0.07 0.27 0.43 0.52 -1.51 0.00 0.00 179.97 179.61 3h4e h MET 144 N 0.14 1.18 -0.06 0.20 2.86 -1.01 -3.03 114.93 115.21 3h4e h MET 144 Ca 0.06 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3h4e h MET 144 Cb 0.11 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.55 3h4e h MET 144 CO -0.01 0.89 0.00 0.66 1.06 0.00 0.00 176.91 179.52 3h4e n TYR 145 N -4.35 0.07 -1.77 -0.22 4.02 -0.22 -4.81 117.16 109.88 3h4e n TYR 145 Ca 0.08 -0.03 -0.42 0.00 -0.01 0.00 0.00 57.90 57.51 3h4e n TYR 145 Cb 0.12 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.41 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 -1.77 6.35 0.39 7.72 0.15 -1.00 -4.88 113.70 120.66 3h4e s SER 146 Ca 0.36 2.39 0.19 0.00 0.70 0.00 0.00 55.95 59.59 3h4e s SER 146 Cb 0.18 -2.53 0.78 0.00 -1.71 0.00 0.00 66.02 62.75 3h4e s SER 146 CO 0.29 -1.17 1.78 -0.65 1.20 0.00 0.00 173.24 174.69 3h4e h PRO 147 N 11.03 0.00 -5.36 5.44 0.11 -1.91 -3.45 132.00 137.86 3h4e h PRO 147 Ca -0.45 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.21 3h4e h PRO 147 Cb 1.22 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.08 3h4e h PRO 147 CO 0.95 0.34 -0.80 0.99 -0.21 0.00 0.00 178.00 179.28 3h4e s THR 148 N -3.74 1.14 0.40 -1.15 2.01 -1.26 -5.13 115.64 107.91 3h4e s THR 148 Ca -0.01 -1.00 -0.23 0.00 0.31 0.00 0.00 61.69 60.77 3h4e s THR 148 Cb 0.12 -1.03 -0.10 0.00 0.01 0.00 0.00 72.50 71.50 3h4e s THR 148 CO 0.68 0.03 0.98 -0.55 -0.69 0.00 0.00 174.62 175.06 3h4e s SER 149 N -1.11 6.95 0.62 3.53 0.15 -1.26 -4.93 113.70 117.65 3h4e s SER 149 Ca 0.02 1.84 0.37 0.00 0.70 0.00 0.00 55.95 58.88 3h4e s SER 149 Cb -0.08 -2.56 2.07 0.00 -1.71 0.00 0.00 66.02 63.74 3h4e s SER 149 CO 0.01 -0.35 2.29 -0.29 1.20 0.00 0.00 173.24 176.10 3h4e h ILE 150 N 2.14 0.26 0.00 6.45 6.09 -1.96 -1.84 117.51 128.65 3h4e h ILE 150 Ca -0.48 -0.07 -0.01 0.00 -1.37 0.00 0.00 64.86 62.93 3h4e h ILE 150 Cb 1.20 1.05 -0.00 0.00 0.47 0.00 0.00 36.82 39.54 3h4e h ILE 150 CO 0.62 0.01 -0.05 -0.07 -3.07 0.00 0.00 178.15 175.59 3h4e h LEU 151 N 0.00 0.00 -1.88 2.19 3.38 -2.01 -3.01 115.31 113.97 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 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3h4e h LEU 151 CO 0.00 0.05 0.00 0.47 0.09 0.00 0.00 178.44 179.05 3h4e n ASP 152 N -3.15 2.76 -4.44 -0.43 8.00 -0.69 -4.81 116.55 113.78 3h4e n ASP 152 Ca 0.01 -1.96 -0.44 0.00 0.71 0.00 0.00 54.79 53.11 3h4e n ASP 152 Cb 0.37 -0.31 -0.07 0.00 -0.02 0.00 0.00 41.12 41.09 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 -1.38 4.94 -0.02 0.53 -1.09 -1.14 -5.02 121.20 118.03 3h4e s ILE 153 Ca 0.35 -0.54 0.03 0.00 -2.23 0.00 0.00 60.65 58.26 3h4e s ILE 153 Cb 0.19 -4.25 -0.00 0.00 -1.58 0.00 0.00 42.46 36.81 3h4e s ILE 153 CO 0.25 -0.74 -0.09 -0.13 -1.23 0.00 0.00 174.94 173.00 3h4e s ARG 154 N 2.46 0.91 0.13 2.79 1.81 -1.26 -4.92 118.95 120.87 3h4e s ARG 154 Ca 0.14 -0.32 -0.31 0.00 -1.72 0.00 0.00 55.73 53.51 3h4e s ARG 154 Cb -0.20 -0.86 -0.10 0.00 -0.45 0.00 0.00 34.95 33.35 3h4e s ARG 154 CO 0.12 0.15 1.62 -1.14 -0.68 0.00 0.00 175.30 175.37 3h4e s GLN 155 N 0.04 4.20 0.94 3.54 0.74 -0.81 -4.97 119.66 123.34 3h4e s GLN 155 Ca -0.01 2.38 -0.11 0.00 0.05 0.00 0.00 55.36 57.67 3h4e s GLN 155 Cb -0.07 -3.34 0.10 0.00 1.10 0.00 0.00 33.01 30.80 3h4e s GLN 155 CO 0.00 -0.67 0.79 0.41 -0.55 0.00 0.00 175.29 175.27 3h4e n GLY 156 N 3.88 -1.19 0.17 2.59 0.00 -1.26 -4.29 105.19 105.09 3h4e n GLY 156 Ca 0.15 -0.74 -0.05 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.77 0.25 -0.27 1.61 0.11 -2.01 -3.17 132.00 126.75 3h4e h PRO 157 Ca -0.44 -0.17 0.00 0.00 0.11 0.00 0.00 66.00 65.50 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 0.38 0.79 0.00 1.63 -0.21 0.00 0.00 178.00 180.59 3h4e n LYS 158 N -3.86 2.85 -3.03 1.05 4.01 -1.26 -4.97 118.16 112.95 3h4e n LYS 158 Ca -0.02 -2.12 -0.40 0.00 -0.51 0.00 0.00 58.31 55.26 3h4e n LYS 158 Cb 0.63 -1.34 -0.05 0.00 -0.51 0.00 0.00 35.03 33.77 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 -1.38 4.44 0.53 1.97 2.12 -1.20 -5.04 118.70 120.14 3h4e s GLU 159 Ca 0.23 0.91 -0.22 0.00 0.36 0.00 0.00 54.97 56.25 3h4e s GLU 159 Cb 0.15 -3.45 -0.05 0.00 0.26 0.00 0.00 34.13 31.03 3h4e s GLU 159 CO 0.12 0.05 1.31 -2.14 -0.54 0.00 0.00 175.26 174.06 3h4e s PRO 160 N 0.83 3.23 0.21 4.30 0.02 -1.26 -4.67 135.00 137.67 3h4e s PRO 160 Ca 0.38 2.13 -0.09 0.00 0.02 0.00 0.00 61.00 63.44 3h4e s PRO 160 Cb -0.18 -2.26 0.27 0.00 0.02 0.00 0.00 34.50 32.35 3h4e s PRO 160 CO 0.18 -1.08 1.80 0.35 -0.33 0.00 0.00 177.00 177.92 3h4e h PHE 161 N 1.52 0.66 -0.79 6.54 3.57 -1.97 -2.02 116.94 124.46 3h4e h PHE 161 Ca -0.51 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.10 3h4e h PHE 161 Cb 1.29 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 39.77 3h4e h PHE 161 CO 0.47 0.29 0.45 -0.09 -2.23 0.00 0.00 178.31 177.20 3h4e h ARG 162 N 0.66 0.75 0.00 1.11 2.43 -1.91 0.62 114.38 118.05 3h4e h ARG 162 Ca 0.31 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.37 3h4e h ARG 162 Cb 0.24 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3h4e h ARG 162 CO -0.21 0.50 -0.32 -0.44 -1.51 0.00 0.00 179.97 177.99 3h4e h ASP 163 N 0.78 0.00 0.13 -3.80 3.32 -1.74 -0.55 116.42 114.55 3h4e h ASP 163 Ca 0.37 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.18 3h4e h ASP 163 Cb 0.31 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.88 3h4e h ASP 163 CO -0.23 0.32 -1.01 0.22 -1.72 0.00 0.00 179.24 176.81 3h4e h TYR 164 N 0.00 0.78 -0.31 4.55 3.20 -0.95 -2.83 116.97 121.40 3h4e h TYR 164 Ca -0.00 -0.51 -0.07 0.00 3.14 0.00 0.00 58.73 61.29 3h4e h TYR 164 Cb 0.60 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 3h4e h TYR 164 CO 0.00 1.37 -0.09 0.28 -1.64 0.00 0.00 178.16 178.08 3h4e h VAL 165 N -0.04 1.22 -0.14 1.81 2.07 -0.67 -0.35 116.25 120.15 3h4e h VAL 165 Ca -0.16 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.41 3h4e h VAL 165 Cb 1.75 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 3h4e h VAL 165 CO 0.19 0.32 0.05 0.44 0.02 0.00 0.00 177.57 178.59 3h4e h ASP 166 N 0.48 0.05 -0.58 0.57 3.45 -1.13 -1.32 116.42 117.95 3h4e h ASP 166 Ca 0.09 0.01 -0.08 0.00 0.43 0.00 0.00 57.03 57.49 3h4e h ASP 166 Cb 0.45 0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 39.20 3h4e h ASP 166 CO 0.02 0.05 0.07 0.03 -1.57 0.00 0.00 179.24 177.85 3h4e h ARG 167 N 0.12 1.00 0.65 3.56 3.08 -1.20 -0.95 114.38 120.65 3h4e h ARG 167 Ca 0.06 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 3h4e h ARG 167 Cb 0.04 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3h4e h ARG 167 CO -0.06 0.94 -0.43 0.35 -1.07 0.00 0.00 179.97 179.70 3h4e h PHE 168 N 0.94 -1.15 0.00 3.04 3.57 -0.78 -2.01 116.94 120.56 3h4e h PHE 168 Ca 0.18 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.58 3h4e h PHE 168 Cb 0.44 0.41 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 3h4e h PHE 168 CO 0.03 -0.64 -0.44 1.88 -2.23 0.00 0.00 178.31 176.91 3h4e h TYR 169 N -1.03 0.00 -0.33 0.41 0.05 -1.17 -0.82 116.97 114.08 3h4e h TYR 169 Ca -0.08 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.57 3h4e h TYR 169 Cb 0.84 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.57 3h4e h TYR 169 CO -0.12 0.44 -0.32 -0.22 -1.05 0.00 0.00 178.16 176.89 3h4e h LYS 170 N 0.00 0.71 -0.26 4.88 3.64 -1.16 -1.91 116.57 122.47 3h4e h LYS 170 Ca -0.00 -0.32 -0.05 0.00 -1.27 0.00 0.00 60.65 59.00 3h4e h LYS 170 Cb 0.95 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 3h4e h LYS 170 CO 0.06 0.93 -0.05 1.15 -2.27 0.00 0.00 179.45 179.27 3h4e h THR 171 N 0.60 1.28 -0.99 1.00 2.02 -1.10 -2.60 112.91 113.12 3h4e h THR 171 Ca 0.07 -1.04 0.03 0.00 0.77 0.00 0.00 66.41 66.24 3h4e h THR 171 Cb 0.83 1.42 -0.05 0.00 -1.74 0.00 0.00 68.15 68.61 3h4e h THR 171 CO 0.07 0.33 0.65 0.25 0.37 0.00 0.00 175.52 177.19 3h4e h LEU 172 N 0.25 1.11 -0.68 2.58 5.85 -1.12 -1.98 115.31 121.32 3h4e h LEU 172 Ca 0.07 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.65 3h4e h LEU 172 Cb 0.51 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3h4e h LEU 172 CO 0.02 0.77 -0.24 -0.09 -0.34 0.00 0.00 178.44 178.57 3h4e h ARG 173 N 1.29 0.77 -0.36 1.25 2.43 -1.25 -2.45 114.38 116.06 3h4e h ARG 173 Ca 0.38 -0.32 -0.14 0.00 -0.81 0.00 0.00 59.98 59.10 3h4e h ARG 173 Cb -0.05 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3h4e h ARG 173 CO -0.11 0.93 -0.31 0.00 -1.51 0.00 0.00 179.97 178.97 3h4e h ALA 174 N 1.06 0.52 0.00 2.80 0.00 -1.08 -3.03 119.26 119.53 3h4e h ALA 174 Ca 0.09 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 3h4e h ALA 174 Cb 0.75 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3h4e h ALA 174 CO 0.06 0.57 -0.13 0.93 0.00 0.00 0.00 179.25 180.67 3h4e h GLU 175 N 0.64 0.00 -4.54 0.00 4.39 -1.22 -3.32 114.58 110.52 3h4e h GLU 175 Ca 0.06 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.56 3h4e h GLU 175 Cb 0.89 0.00 0.12 0.00 -0.10 0.00 0.00 28.75 29.67 3h4e h GLU 175 CO 0.08 0.13 -0.54 1.04 -1.16 0.00 0.00 179.01 178.56 3h4e n GLN 176 N -3.90 -3.32 -2.07 2.33 6.02 -0.93 -4.91 117.38 110.59 3h4e n GLN 176 Ca -0.02 0.58 -0.35 0.00 -0.01 0.00 0.00 57.00 57.20 3h4e n GLN 176 Cb 0.23 -4.64 0.02 0.00 1.02 0.00 0.00 30.24 26.87 3h4e n GLN 176 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h4e s ALA 177 N -3.25 2.59 0.68 -1.58 0.00 -1.25 -5.04 121.76 113.91 3h4e s ALA 177 Ca 0.12 0.86 -0.12 0.00 0.00 0.00 0.00 51.96 52.82 3h4e s ALA 177 Cb -0.02 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3h4e s ALA 177 CO 0.50 -1.02 1.06 -1.54 0.00 0.00 0.00 175.76 174.76 3h4e s SER 178 N -1.82 5.42 0.24 0.00 1.04 -1.26 -4.74 113.70 112.57 3h4e s SER 178 Ca 0.74 1.67 -0.05 0.00 0.48 0.00 0.00 55.95 58.79 3h4e s SER 178 Cb -0.26 -2.50 0.41 0.00 0.10 0.00 0.00 66.02 63.77 3h4e s SER 178 CO 0.32 -1.42 1.75 -0.61 0.98 0.00 0.00 173.24 174.26 3h4e h GLN 179 N -0.49 0.50 -0.07 4.02 5.75 -1.98 0.22 115.11 123.05 3h4e h GLN 179 Ca -0.44 -0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.04 3h4e h GLN 179 Cb 1.21 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.63 3h4e h GLN 179 CO 0.57 0.33 -0.03 0.93 -2.65 0.00 0.00 178.83 177.98 3h4e h GLU 180 N 0.52 -0.02 -0.77 1.69 3.07 -2.00 -0.66 114.58 116.42 3h4e h GLU 180 Ca 0.39 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.25 3h4e h GLU 180 Cb 0.52 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.40 3h4e h GLU 180 CO -0.34 -0.01 0.48 0.28 -1.40 0.00 0.00 179.01 178.01 3h4e h VAL 181 N -0.02 1.21 -0.94 3.13 2.07 -1.61 -1.23 116.25 118.86 3h4e h VAL 181 Ca 0.04 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.14 3h4e h VAL 181 Cb 0.08 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 29.92 3h4e h VAL 181 CO -0.09 0.21 0.62 0.11 0.02 0.00 0.00 177.57 178.45 3h4e h LYS 182 N 1.04 1.21 0.50 1.57 6.56 -0.29 0.40 116.57 127.56 3h4e h LYS 182 Ca 0.28 -0.07 -0.02 0.00 -1.06 0.00 0.00 60.65 59.77 3h4e h LYS 182 Cb -0.07 -0.27 0.00 0.00 -0.57 0.00 0.00 32.23 31.32 3h4e h LYS 182 CO -0.05 0.80 -0.24 -0.91 -2.06 0.00 0.00 179.45 176.99 3h4e h ASN 183 N 1.25 -0.57 -0.61 0.86 2.35 -0.71 0.33 115.58 118.48 3h4e h ASN 183 Ca 0.35 -0.00 0.03 0.00 -0.55 0.00 0.00 56.30 56.13 3h4e h ASN 183 Cb -0.10 0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.38 3h4e h ASN 183 CO -0.09 -0.37 0.38 0.00 -1.65 0.00 0.00 177.43 175.70 3h4e h ALA 184 N -0.24 0.79 -0.90 -0.83 0.00 -0.97 0.68 119.26 117.79 3h4e h ALA 184 Ca -0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3h4e h ALA 184 Cb 0.54 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3h4e h ALA 184 CO 0.11 0.12 0.52 0.00 0.00 0.00 0.00 179.25 180.00 3h4e h ALA 185 N 1.27 1.22 0.36 0.00 0.00 -0.90 0.42 119.26 121.62 3h4e h ALA 185 Ca 0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3h4e h ALA 185 Cb 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.45 3h4e h ALA 185 CO -0.10 0.65 -0.17 1.15 0.00 0.00 0.00 179.25 180.78 3h4e h THR 186 N 1.25 0.63 -0.19 0.00 2.02 0.98 -0.30 112.91 117.29 3h4e h THR 186 Ca 0.32 -0.48 0.02 0.00 0.77 0.00 0.00 66.41 67.04 3h4e h THR 186 Cb -0.01 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3h4e h THR 186 CO -0.06 0.09 0.07 -0.33 0.37 0.00 0.00 175.52 175.66 3h4e h GLU 187 N -0.76 0.15 -0.36 6.66 5.08 0.48 -1.13 114.58 124.69 3h4e h GLU 187 Ca -0.05 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.14 3h4e h GLU 187 Cb 0.51 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3h4e h GLU 187 CO 0.08 0.10 -0.41 0.00 -1.00 0.00 0.00 179.01 177.78 3h4e h THR 188 N 0.16 1.27 0.00 1.13 1.03 -0.25 -3.41 112.91 112.84 3h4e h THR 188 Ca 0.08 -1.58 -0.27 0.00 -0.01 0.00 0.00 66.41 64.63 3h4e h THR 188 Cb 0.05 1.42 -0.05 0.00 -1.07 0.00 0.00 68.15 68.50 3h4e h THR 188 CO -0.08 0.53 -2.01 0.18 -0.01 0.00 0.00 175.52 174.13 3h4e n LEU 189 N -4.05 1.67 0.23 0.00 4.77 -0.13 -4.20 117.00 115.29 3h4e n LEU 189 Ca -0.02 -0.05 -0.15 0.00 -0.03 0.00 0.00 56.01 55.76 3h4e n LEU 189 Cb 0.56 -0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 41.36 3h4e n LEU 189 CO 0.49 0.61 0.60 0.25 -1.33 0.00 0.00 177.39 178.00 3h4e h LEU 190 N 0.00 -0.48 -0.30 2.23 5.85 -1.28 -0.30 115.31 121.03 3h4e h LEU 190 Ca -0.40 -0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.16 3h4e h LEU 190 Cb 1.74 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.88 3h4e h LEU 190 CO -0.03 -0.19 -0.12 -0.37 -0.34 0.00 0.00 178.44 177.40 3h4e h VAL 191 N -0.77 1.29 -0.82 1.05 -1.51 -1.84 -3.13 116.25 110.52 3h4e h VAL 191 Ca -0.06 -1.19 0.19 0.00 -1.23 0.00 0.00 66.70 64.41 3h4e h VAL 191 Cb 0.53 1.43 -0.12 0.00 -2.13 0.00 0.00 31.29 31.00 3h4e h VAL 191 CO 0.09 0.38 0.27 0.06 -1.23 0.00 0.00 177.57 177.15 3h4e h GLN 192 N 0.37 0.31 -0.49 5.19 -0.00 -1.70 -2.19 115.11 116.60 3h4e h GLN 192 Ca 0.07 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.70 3h4e h GLN 192 Cb 0.63 -0.07 0.00 0.00 -0.00 0.00 0.00 27.48 28.04 3h4e h GLN 192 CO 0.04 0.21 0.00 0.09 -0.00 0.00 0.00 178.83 179.16 3h4e n ASN 193 N -5.12 2.90 -4.80 0.06 3.02 -0.13 -4.92 115.26 106.27 3h4e n ASN 193 Ca 0.18 -1.97 -0.33 0.00 -0.03 0.00 0.00 54.58 52.43 3h4e n ASN 193 Cb 0.56 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 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 -1.35 2.75 0.99 5.41 0.00 -0.82 -1.93 121.76 126.80 3h4e s ALA 194 Ca 0.37 0.46 -0.12 0.00 0.00 0.00 0.00 51.96 52.68 3h4e s ALA 194 Cb 0.20 -3.25 0.18 0.00 0.00 0.00 0.00 23.12 20.25 3h4e s ALA 194 CO 0.26 -0.75 1.08 0.54 0.00 0.00 0.00 175.76 176.90 3h4e s ASN 195 N -2.58 2.53 0.12 0.00 2.20 -1.26 -4.62 114.94 111.34 3h4e s ASN 195 Ca 0.65 1.67 -0.25 0.00 -0.94 0.00 0.00 52.86 53.98 3h4e s ASN 195 Cb -0.17 -2.31 -0.06 0.00 -2.00 0.00 0.00 41.25 36.71 3h4e s ASN 195 CO 0.34 -3.26 1.65 -0.65 -2.94 0.00 0.00 177.10 172.24 3h4e h PRO 196 N -1.97 -0.36 0.11 3.55 0.11 -1.92 0.52 132.00 132.03 3h4e h PRO 196 Ca -0.52 0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.63 3h4e h PRO 196 Cb 1.30 0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.44 3h4e h PRO 196 CO 0.50 -0.24 -0.48 -0.44 -0.21 0.00 0.00 178.00 177.13 3h4e h ASP 197 N -0.37 -1.45 -0.92 -2.05 3.32 -1.95 -2.40 116.42 110.60 3h4e h ASP 197 Ca 0.05 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3h4e h ASP 197 Cb 0.44 0.54 -0.05 0.00 0.22 0.00 0.00 39.33 40.48 3h4e h ASP 197 CO -0.18 -0.53 0.58 0.00 -1.72 0.00 0.00 179.24 177.39 3h4e h LYS 199 N 1.26 0.91 0.08 0.00 3.64 -0.41 0.11 116.57 122.16 3h4e h LYS 199 Ca 0.33 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3h4e h LYS 199 Cb -0.10 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.52 3h4e h LYS 199 CO -0.07 0.60 -0.04 1.79 -2.27 0.00 0.00 179.45 179.47 3h4e h THR 200 N 0.94 1.18 -0.86 1.00 1.35 -1.29 -2.21 112.91 113.02 3h4e h THR 200 Ca 0.32 -1.10 0.11 0.00 -0.55 0.00 0.00 66.41 65.19 3h4e h THR 200 Cb 0.09 1.87 -0.08 0.00 -1.73 0.00 0.00 68.15 68.31 3h4e h THR 200 CO -0.10 0.26 0.49 0.40 -0.25 0.00 0.00 175.52 176.32 3h4e h ILE 201 N -0.63 0.87 -0.16 6.82 2.04 -1.37 -1.72 117.51 123.36 3h4e h ILE 201 Ca -0.01 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.53 3h4e h ILE 201 Cb 0.52 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3h4e h ILE 201 CO 0.02 0.14 -0.09 -0.07 0.00 0.00 0.00 178.15 178.15 3h4e h LEU 202 N 0.78 0.35 -2.04 1.44 3.38 -1.00 -2.41 115.31 115.82 3h4e h LEU 202 Ca 0.43 -0.43 0.09 0.00 0.09 0.00 0.00 57.88 58.07 3h4e h LEU 202 Cb 0.46 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3h4e h LEU 202 CO -0.28 0.70 0.24 0.11 0.09 0.00 0.00 178.44 179.31 3h4e h LYS 203 N 0.00 0.00 -0.27 1.13 1.57 -1.18 -1.70 116.57 116.13 3h4e h LYS 203 Ca 0.03 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.68 3h4e h LYS 203 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 3h4e h LYS 203 CO 0.03 0.00 -0.39 0.00 -0.57 0.00 0.00 179.45 178.52 3h4e h ALA 204 N 1.81 0.82 0.00 3.86 0.00 -0.82 -2.66 119.26 122.27 3h4e h ALA 204 Ca 0.15 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3h4e h ALA 204 Cb 0.64 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3h4e h ALA 204 CO -0.00 0.65 0.00 1.47 0.00 0.00 0.00 179.25 181.37 3h4e n LEU 205 N -4.04 0.00 -0.62 0.00 -0.00 -0.64 -4.96 117.00 106.74 3h4e n LEU 205 Ca -0.02 0.48 0.08 0.00 -0.00 0.00 0.00 56.01 56.56 3h4e n LEU 205 Cb 0.51 -0.48 -0.02 0.00 -0.00 0.00 0.00 43.42 43.43 3h4e n LEU 205 CO 0.45 -0.41 -0.13 0.61 -0.00 0.00 0.00 177.39 177.91 3h4e n GLY 206 N -1.07 -1.64 3.78 1.47 0.00 -1.00 -4.83 105.19 101.89 3h4e n GLY 206 Ca 0.01 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.68 2.00 -0.64 1.61 0.02 -1.26 -4.16 135.00 130.89 3h4e s PRO 207 Ca 0.00 0.74 0.00 0.00 0.02 0.00 0.00 61.00 61.76 3h4e s PRO 207 Cb 0.00 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.62 3h4e s PRO 207 CO 0.00 -1.71 0.00 0.41 -0.33 0.00 0.00 177.00 175.37 3h4e n GLY 208 N -1.82 0.85 3.74 0.52 0.00 -1.26 -5.01 105.19 102.20 3h4e n GLY 208 Ca 0.07 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 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 3.29 0.52 4.61 0.00 -1.26 -5.05 121.76 121.67 3h4e s ALA 209 Ca 0.00 0.62 -0.18 0.00 0.00 0.00 0.00 51.96 52.40 3h4e s ALA 209 Cb 0.00 -3.26 -0.07 0.00 0.00 0.00 0.00 23.12 19.78 3h4e s ALA 209 CO 0.00 0.04 1.01 0.95 0.00 0.00 0.00 175.76 177.76 3h4e s THR 210 N -0.45 4.15 0.31 0.00 -4.23 -1.26 -4.89 115.64 109.27 3h4e s THR 210 Ca 0.45 1.14 0.04 0.00 -1.18 0.00 0.00 61.69 62.14 3h4e s THR 210 Cb -0.25 -3.55 0.30 0.00 1.34 0.00 0.00 72.50 70.34 3h4e s THR 210 CO 0.31 -0.48 1.85 0.25 -0.54 0.00 0.00 174.62 176.00 3h4e h LEU 211 N 1.08 0.84 -0.17 4.79 5.85 -1.99 0.11 115.31 125.82 3h4e h LEU 211 Ca -0.48 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.33 3h4e h LEU 211 Cb 1.20 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 3h4e h LEU 211 CO 0.60 0.44 -0.07 -0.08 -0.34 0.00 0.00 178.44 178.98 3h4e h GLU 212 N 0.90 -0.05 -0.25 1.25 4.81 -1.99 -1.01 114.58 118.23 3h4e h GLU 212 Ca 0.48 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.74 3h4e h GLU 212 Cb 0.57 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 3h4e h GLU 212 CO -0.25 -0.03 0.09 0.93 -0.73 0.00 0.00 179.01 179.02 3h4e h GLU 213 N -0.05 0.20 -0.72 1.92 5.08 -1.39 -0.98 114.58 118.63 3h4e h GLU 213 Ca 0.09 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.51 3h4e h GLU 213 Cb 0.19 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 3h4e h GLU 213 CO -0.20 0.13 0.40 0.52 -1.00 0.00 0.00 179.01 178.86 3h4e h MET 214 N 0.20 0.69 -0.01 2.33 2.86 -1.02 -1.34 114.93 118.65 3h4e h MET 214 Ca 0.11 -0.04 -0.16 0.00 -2.06 0.00 0.00 59.70 57.55 3h4e h MET 214 Cb 0.08 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 3h4e h MET 214 CO -0.11 0.46 -0.74 0.52 1.06 0.00 0.00 176.91 178.10 3h4e h MET 215 N 0.71 0.06 -0.19 1.72 2.86 -0.55 -2.67 114.93 116.86 3h4e h MET 215 Ca 0.34 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.89 3h4e h MET 215 Cb 0.26 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 3h4e h MET 215 CO -0.21 0.77 -0.02 1.15 1.06 0.00 0.00 176.91 179.65 3h4e h THR 216 N 0.04 1.27 -0.93 2.22 2.02 -0.90 -3.12 112.91 113.50 3h4e h THR 216 Ca -0.01 -0.95 0.16 0.00 0.77 0.00 0.00 66.41 66.37 3h4e h THR 216 Cb 1.30 1.52 -0.10 0.00 -1.74 0.00 0.00 68.15 69.13 3h4e h THR 216 CO 0.10 0.29 0.54 0.00 0.37 0.00 0.00 175.52 176.82 3h4e h ALA 217 N 0.75 1.46 -0.54 6.16 0.00 -1.08 -2.84 119.26 123.18 3h4e h ALA 217 Ca 0.05 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3h4e h ALA 217 Cb 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3h4e h ALA 217 CO 0.01 -0.01 0.02 0.00 0.00 0.00 0.00 179.25 179.27