#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 3.15 0.26 4.25 1.01 0.50 -0.81 121.20 129.55 3h4e s ILE 2 Ca 0.00 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.10 3h4e s ILE 2 Cb 0.00 -2.41 -0.05 0.00 0.01 0.00 0.00 42.46 40.01 3h4e s ILE 2 CO 0.00 0.45 0.04 0.68 0.00 0.00 0.00 174.94 176.11 3h4e s VAL 3 N 1.29 0.91 -0.23 2.92 -7.23 -0.29 -4.75 120.40 113.01 3h4e s VAL 3 Ca 0.03 -2.01 -0.23 0.00 -1.81 0.00 0.00 61.98 57.96 3h4e s VAL 3 Cb -0.14 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.27 3h4e s VAL 3 CO -0.04 -0.16 0.77 -1.58 -0.31 0.00 0.00 175.10 173.79 3h4e s GLN 4 N -3.92 4.18 0.00 4.82 2.00 -1.26 -0.45 119.66 125.02 3h4e s GLN 4 Ca 0.33 0.85 0.00 0.00 -2.00 0.00 0.00 55.36 54.53 3h4e s GLN 4 Cb 0.07 -3.63 0.00 0.00 0.80 0.00 0.00 33.01 30.25 3h4e s GLN 4 CO 0.11 -0.46 0.00 0.27 -0.50 0.00 0.00 175.29 174.72 3h4e n ASN 5 N 5.79 0.00 0.08 6.67 0.23 -0.43 -4.96 115.26 122.64 3h4e n ASN 5 Ca 0.04 -0.38 -0.10 0.00 -0.53 0.00 0.00 54.58 53.61 3h4e n ASN 5 Cb 0.48 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.08 3h4e n ASN 5 CO 0.00 0.00 0.00 0.17 -0.93 0.00 0.00 177.26 176.50 3h4e h LEU 6 N 0.00 0.17 0.00 -4.53 8.10 -1.98 -3.17 115.31 113.90 3h4e h LEU 6 Ca 0.00 -0.17 0.00 0.00 0.11 0.00 0.00 57.88 57.82 3h4e h LEU 6 Cb 0.00 -0.05 0.00 0.00 -0.44 0.00 0.00 40.66 40.17 3h4e h LEU 6 CO 0.00 1.10 0.00 0.00 -4.11 0.00 0.00 178.44 175.43 3h4e n GLN 7 N -3.47 0.97 -1.01 0.17 -0.00 -1.26 -4.88 117.38 107.90 3h4e n GLN 7 Ca -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 57.00 56.96 3h4e n GLN 7 Cb 0.93 -1.20 -0.00 0.00 -0.00 0.00 0.00 30.24 29.97 3h4e n GLN 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3h4e n GLY 8 N 0.65 0.47 3.88 2.61 0.00 -1.20 -5.04 105.19 106.57 3h4e n GLY 8 Ca 0.09 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.55 3.71 -0.28 1.61 0.00 -1.26 -4.83 119.66 118.06 3h4e s GLN 9 Ca 0.00 0.09 -0.23 0.00 -0.00 0.00 0.00 55.36 55.22 3h4e s GLN 9 Cb 0.00 -2.86 -0.00 0.00 0.00 0.00 0.00 33.01 30.14 3h4e s GLN 9 CO 0.00 0.47 0.77 -1.64 0.00 0.00 0.00 175.29 174.89 3h4e s MET 10 N -2.40 4.05 0.12 9.60 -1.94 -1.26 -1.31 119.30 126.16 3h4e s MET 10 Ca 0.39 0.68 0.02 0.00 -1.71 0.00 0.00 55.69 55.07 3h4e s MET 10 Cb -0.13 -3.69 -0.04 0.00 2.01 0.00 0.00 34.83 32.98 3h4e s MET 10 CO 0.21 -0.59 -0.07 0.14 -0.01 0.00 0.00 175.02 174.71 3h4e s VAL 11 N 2.85 0.81 0.21 -6.03 -7.23 0.40 -4.91 120.40 106.49 3h4e s VAL 11 Ca 0.32 -1.97 -0.27 0.00 -1.81 0.00 0.00 61.98 58.25 3h4e s VAL 11 Cb -0.15 -1.77 -0.09 0.00 0.56 0.00 0.00 36.38 34.94 3h4e s VAL 11 CO 0.10 -0.80 0.85 -2.28 -0.31 0.00 0.00 175.10 172.66 3h4e s HIS 12 N -3.56 3.91 0.01 2.82 5.65 -1.26 -1.14 115.29 121.72 3h4e s HIS 12 Ca 0.14 1.75 0.01 0.00 0.25 0.00 0.00 55.06 57.21 3h4e s HIS 12 Cb 0.05 -2.86 -0.01 0.00 -1.18 0.00 0.00 32.58 28.58 3h4e s HIS 12 CO -0.03 0.46 -0.04 -1.14 -0.65 0.00 0.00 174.74 173.35 3h4e s GLN 13 N -1.27 0.30 0.44 2.88 0.74 0.01 -4.96 119.66 117.80 3h4e s GLN 13 Ca 0.39 -0.29 -0.25 0.00 0.05 0.00 0.00 55.36 55.27 3h4e s GLN 13 Cb -0.24 -0.20 -0.08 0.00 1.10 0.00 0.00 33.01 33.59 3h4e s GLN 13 CO 0.28 0.05 1.27 0.00 -0.55 0.00 0.00 175.29 176.34 3h4e s ILE 15 N -1.34 2.74 0.32 0.00 2.07 -1.26 -4.60 121.20 119.13 3h4e s ILE 15 Ca 0.60 0.59 -0.17 0.00 -1.41 0.00 0.00 60.65 60.26 3h4e s ILE 15 Cb -0.36 -3.37 -0.09 0.00 0.13 0.00 0.00 42.46 38.77 3h4e s ILE 15 CO 0.45 0.08 0.77 -0.94 -1.91 0.00 0.00 174.94 173.39 3h4e s SER 16 N 0.65 6.88 0.38 4.50 1.04 -1.26 -4.94 113.70 120.96 3h4e s SER 16 Ca 0.63 1.39 0.16 0.00 0.48 0.00 0.00 55.95 58.60 3h4e s SER 16 Cb -0.42 -2.41 1.03 0.00 0.10 0.00 0.00 66.02 64.32 3h4e s SER 16 CO 0.38 -0.17 1.79 -0.65 0.98 0.00 0.00 173.24 175.58 3h4e h PRO 17 N 2.48 0.46 0.00 4.02 0.11 -1.99 -0.95 132.00 136.13 3h4e h PRO 17 Ca -0.48 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3h4e h PRO 17 Cb 1.18 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3h4e h PRO 17 CO 0.65 0.30 -0.00 -0.09 -0.21 0.00 0.00 178.00 178.65 3h4e h ARG 18 N 0.47 -0.01 -0.13 1.05 9.65 -1.99 -1.62 114.38 121.81 3h4e h ARG 18 Ca 0.56 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.43 3h4e h ARG 18 Cb 1.30 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.87 3h4e h ARG 18 CO -0.28 0.08 0.06 1.15 2.80 0.00 0.00 179.97 183.78 3h4e h THR 19 N -0.09 1.11 -0.50 0.20 2.02 -1.75 -1.56 112.91 112.35 3h4e h THR 19 Ca -0.00 -0.32 0.10 0.00 0.77 0.00 0.00 66.41 66.96 3h4e h THR 19 Cb 0.09 1.09 -0.08 0.00 -1.74 0.00 0.00 68.15 67.50 3h4e h THR 19 CO 0.00 0.10 -0.02 -0.07 0.37 0.00 0.00 175.52 175.90 3h4e h LEU 20 N 0.09 -0.26 -0.43 2.58 3.38 -1.18 -2.44 115.31 117.05 3h4e h LEU 20 Ca 0.04 0.12 -0.17 0.00 0.09 0.00 0.00 57.88 57.97 3h4e h LEU 20 Cb 0.11 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3h4e h LEU 20 CO -0.01 -0.09 -0.53 -1.13 0.09 0.00 0.00 178.44 176.77 3h4e h ASN 21 N 0.09 0.78 -0.67 -0.43 -1.24 -1.20 -2.58 115.58 110.35 3h4e h ASN 21 Ca 0.25 -0.41 -0.06 0.00 0.71 0.00 0.00 56.30 56.79 3h4e h ASN 21 Cb 0.38 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.18 3h4e h ASN 21 CO -0.44 1.16 0.19 0.00 -1.29 0.00 0.00 177.43 177.06 3h4e h ALA 22 N 0.85 0.87 -0.18 1.57 0.00 -1.11 -0.72 119.26 120.54 3h4e h ALA 22 Ca 0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3h4e h ALA 22 Cb 1.10 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3h4e h ALA 22 CO 0.11 0.56 -0.06 2.35 0.00 0.00 0.00 179.25 182.21 3h4e h TRP 23 N 0.98 0.42 -0.66 0.00 -0.00 -1.42 -1.06 115.95 114.20 3h4e h TRP 23 Ca 0.21 -0.09 0.01 0.00 -0.00 0.00 0.00 58.89 59.01 3h4e h TRP 23 Cb 0.32 -0.10 -0.03 0.00 -0.00 0.00 0.00 29.16 29.35 3h4e h TRP 23 CO 0.02 0.64 0.44 0.28 -0.00 0.00 0.00 178.44 179.82 3h4e h VAL 24 N 0.07 1.17 -0.51 2.65 2.07 -1.36 -2.61 116.25 117.74 3h4e h VAL 24 Ca 0.04 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 3h4e h VAL 24 Cb 0.52 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3h4e h VAL 24 CO 0.02 0.17 0.09 0.11 0.02 0.00 0.00 177.57 177.98 3h4e h LYS 25 N 0.90 0.84 -0.45 1.57 1.79 -1.06 -1.98 116.57 118.18 3h4e h LYS 25 Ca 0.24 -0.22 0.08 0.00 -2.18 0.00 0.00 60.65 58.57 3h4e h LYS 25 Cb -0.10 -0.10 -0.07 0.00 -1.58 0.00 0.00 32.23 30.39 3h4e h LYS 25 CO -0.05 0.83 0.05 0.28 -1.08 0.00 0.00 179.45 179.48 3h4e h VAL 26 N 0.72 0.71 -0.59 0.50 2.07 -0.98 0.56 116.25 119.24 3h4e h VAL 26 Ca 0.16 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.56 3h4e h VAL 26 Cb 0.39 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3h4e h VAL 26 CO 0.01 0.03 0.14 0.58 0.02 0.00 0.00 177.57 178.36 3h4e h VAL 27 N 0.18 1.25 -0.89 2.57 2.07 -1.34 0.94 116.25 121.03 3h4e h VAL 27 Ca 0.22 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.85 3h4e h VAL 27 Cb 0.31 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 3h4e h VAL 27 CO -0.33 0.34 0.57 -0.33 0.02 0.00 0.00 177.57 177.84 3h4e h GLU 28 N 0.85 1.18 0.14 1.57 5.08 -0.70 -1.57 114.58 121.13 3h4e h GLU 28 Ca 0.19 -0.08 -0.34 0.00 -1.00 0.00 0.00 59.36 58.13 3h4e h GLU 28 Cb 0.35 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 3h4e h GLU 28 CO 0.00 0.80 -1.73 0.93 -1.00 0.00 0.00 179.01 178.00 3h4e h GLU 29 N 1.21 0.30 -0.01 2.33 5.08 -0.67 -3.39 114.58 119.42 3h4e h GLU 29 Ca 0.32 -0.51 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3h4e h GLU 29 Cb -0.11 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3h4e h GLU 29 CO -0.07 1.18 -0.05 1.63 -1.00 0.00 0.00 179.01 180.70 3h4e n LYS 30 N -3.49 0.78 0.00 2.33 4.76 0.30 -5.06 118.16 117.79 3h4e n LYS 30 Ca -0.23 -0.86 0.00 0.00 -2.87 0.00 0.00 58.31 54.35 3h4e n LYS 30 Cb 1.06 -1.12 0.00 0.00 -1.84 0.00 0.00 35.03 33.13 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 0.24 0.00 -1.76 7.82 0.00 -0.59 -1.74 120.51 124.48 3h4e n ALA 31 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.43 3h4e n ALA 31 Cb 0.20 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.79 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 13.07 1.02 -1.68 0.00 3.72 -1.26 -4.74 117.46 127.58 3h4e n PHE 32 Ca 0.00 -1.77 -0.40 0.00 -0.05 0.00 0.00 57.45 55.23 3h4e n PHE 32 Cb 0.00 -0.28 0.02 0.00 -0.94 0.00 0.00 39.48 38.28 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 2.10 -0.19 4.37 2.88 -0.71 -4.58 113.62 116.52 3h4e n SER 33 Ca 0.28 1.04 0.17 0.00 -1.33 0.00 0.00 58.87 59.04 3h4e n SER 33 Cb 0.79 -1.47 0.52 0.00 -0.75 0.00 0.00 64.21 63.31 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 1.71 0.38 0.00 -1.46 0.11 -1.92 -1.35 132.00 129.47 3h4e h PRO 34 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3h4e h PRO 34 Cb 1.31 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3h4e h PRO 34 CO 0.58 0.25 0.00 -0.85 -0.21 0.00 0.00 178.00 177.77 3h4e n GLU 35 N -4.48 0.05 0.16 1.05 0.00 -1.26 -2.35 120.64 113.81 3h4e n GLU 35 Ca 0.16 0.29 0.04 0.00 0.00 0.00 0.00 57.16 57.64 3h4e n GLU 35 Cb 0.61 -1.60 0.44 0.00 0.00 0.00 0.00 31.44 30.89 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 1.15 0.25 3.84 2.07 -1.59 -2.99 116.25 118.98 3h4e h VAL 36 Ca 0.00 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 3h4e h VAL 36 Cb 0.29 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3h4e h VAL 36 CO 0.00 0.21 -0.12 0.40 0.02 0.00 0.00 177.57 178.08 3h4e h ILE 37 N 0.15 0.79 -0.88 4.57 2.04 -1.67 0.42 117.51 122.94 3h4e h ILE 37 Ca 0.03 -0.66 0.17 0.00 1.00 0.00 0.00 64.86 65.40 3h4e h ILE 37 Cb 0.33 1.14 -0.07 0.00 -0.74 0.00 0.00 36.82 37.49 3h4e h ILE 37 CO 0.02 0.14 0.57 -0.65 0.00 0.00 0.00 178.15 178.23 3h4e h PRO 38 N -0.70 0.52 -0.42 2.37 0.11 -1.74 -0.61 132.00 131.53 3h4e h PRO 38 Ca -0.03 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.93 3h4e h PRO 38 Cb 0.48 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 3h4e h PRO 38 CO 0.06 0.34 -0.18 1.98 -0.21 0.00 0.00 178.00 179.99 3h4e h MET 39 N 0.53 0.86 -0.26 1.05 4.05 -1.34 -2.02 114.93 117.80 3h4e h MET 39 Ca 0.45 -0.36 -0.00 0.00 -0.28 0.00 0.00 59.70 59.51 3h4e h MET 39 Cb 0.93 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.69 3h4e h MET 39 CO -0.19 1.00 0.16 0.35 0.23 0.00 0.00 176.91 178.46 3h4e h PHE 40 N 0.67 0.34 -0.60 1.39 3.57 -0.05 -0.93 116.94 121.33 3h4e h PHE 40 Ca 0.10 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.62 3h4e h PHE 40 Cb 0.73 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 3h4e h PHE 40 CO 0.05 0.24 0.40 1.03 -2.23 0.00 0.00 178.31 177.81 3h4e h SER 41 N 0.33 0.63 0.14 0.41 0.87 -0.99 -1.75 113.55 113.20 3h4e h SER 41 Ca 0.09 -0.01 -0.27 0.00 -1.23 0.00 0.00 61.79 60.37 3h4e h SER 41 Cb -0.00 -0.15 0.03 0.00 -0.44 0.00 0.00 62.40 61.84 3h4e h SER 41 CO -0.02 0.44 -1.15 0.00 -0.53 0.00 0.00 176.83 175.57 3h4e h ALA 42 N 1.64 -0.05 0.00 6.23 0.00 -1.19 -3.21 119.26 122.67 3h4e h ALA 42 Ca 0.24 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3h4e h ALA 42 Cb 0.03 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3h4e h ALA 42 CO -0.06 0.59 0.00 -0.07 0.00 0.00 0.00 179.25 179.71 3h4e h LEU 43 N 0.09 0.00 -3.51 0.00 3.38 -0.99 -2.70 115.31 111.59 3h4e h LEU 43 Ca -0.18 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 3h4e h LEU 43 Cb 1.86 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.55 3h4e h LEU 43 CO 0.22 0.00 0.10 -1.54 0.09 0.00 0.00 178.44 177.31 3h4e n SER 44 N -2.92 4.36 -4.69 -0.43 3.41 -0.67 -4.99 113.62 107.68 3h4e n SER 44 Ca -0.01 -3.19 -0.42 0.00 -0.26 0.00 0.00 58.87 55.00 3h4e n SER 44 Cb 0.19 -0.66 -0.03 0.00 -0.26 0.00 0.00 64.21 63.45 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 4.25 0.46 3.76 0.00 0.00 -1.26 -4.82 105.19 107.57 3h4e n GLY 46 Ca 0.18 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 3.54 0.58 4.61 0.00 -0.64 -0.37 121.76 127.57 3h4e s ALA 47 Ca 0.00 1.28 -0.10 0.00 0.00 0.00 0.00 51.96 53.13 3h4e s ALA 47 Cb 0.00 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 3h4e s ALA 47 CO 0.00 -0.67 0.98 0.95 0.00 0.00 0.00 175.76 177.02 3h4e s THR 48 N -0.71 4.73 0.43 0.00 -4.23 -1.26 -4.37 115.64 110.24 3h4e s THR 48 Ca 0.53 0.78 0.20 0.00 -1.18 0.00 0.00 61.69 62.02 3h4e s THR 48 Cb -0.40 -3.86 0.40 0.00 1.34 0.00 0.00 72.50 69.99 3h4e s THR 48 CO 0.49 -1.05 1.84 -0.65 -0.54 0.00 0.00 174.62 174.71 3h4e h PRO 49 N -0.10 0.32 -0.19 3.99 0.11 -1.85 0.50 132.00 134.78 3h4e h PRO 49 Ca -0.45 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3h4e h PRO 49 Cb 1.19 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3h4e h PRO 49 CO 0.62 0.21 0.05 0.37 -0.21 0.00 0.00 178.00 179.04 3h4e h GLN 50 N 0.33 0.31 -0.95 1.05 4.15 -1.90 -1.29 115.11 116.81 3h4e h GLN 50 Ca 0.50 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.85 3h4e h GLN 50 Cb 1.37 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.97 3h4e h GLN 50 CO -0.18 0.43 0.63 -0.44 -1.93 0.00 0.00 178.83 177.35 3h4e h ASP 51 N 0.13 1.09 -0.49 -0.69 3.32 -1.35 -0.92 116.42 117.51 3h4e h ASP 51 Ca 0.06 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3h4e h ASP 51 Cb 0.26 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3h4e h ASP 51 CO 0.00 0.79 0.29 -0.07 -1.72 0.00 0.00 179.24 178.53 3h4e h LEU 52 N 1.29 0.59 -1.12 1.55 3.38 -0.87 -1.18 115.31 118.94 3h4e h LEU 52 Ca 0.35 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 3h4e h LEU 52 Cb -0.15 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 3h4e h LEU 52 CO -0.07 0.48 0.18 0.78 0.09 0.00 0.00 178.44 179.90 3h4e h ASN 53 N 0.65 0.73 -0.49 -0.43 2.35 -0.66 -1.82 115.58 115.92 3h4e h ASN 53 Ca 0.17 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3h4e h ASN 53 Cb 0.00 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 3h4e h ASN 53 CO -0.03 0.69 0.29 0.74 -1.65 0.00 0.00 177.43 177.47 3h4e h THR 54 N 0.78 1.16 -0.44 2.81 2.02 -0.69 0.86 112.91 119.41 3h4e h THR 54 Ca 0.18 -0.36 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 3h4e h THR 54 Cb 0.21 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 3h4e h THR 54 CO -0.01 0.16 0.11 0.24 0.37 0.00 0.00 175.52 176.39 3h4e h MET 55 N 0.65 0.70 -0.19 6.66 2.86 -0.70 -2.33 114.93 122.58 3h4e h MET 55 Ca 0.18 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 3h4e h MET 55 Cb 0.00 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 3h4e h MET 55 CO -0.03 0.70 0.03 -0.07 1.06 0.00 0.00 176.91 178.60 3h4e h LEU 56 N 0.58 0.31 -1.49 1.22 3.38 -1.16 -3.23 115.31 114.91 3h4e h LEU 56 Ca 0.14 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3h4e h LEU 56 Cb 0.31 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3h4e h LEU 56 CO 0.00 0.49 0.00 0.78 0.09 0.00 0.00 178.44 179.80 3h4e h ASN 57 N 0.11 0.00 1.06 -0.43 2.35 -0.72 -2.61 115.58 115.33 3h4e h ASN 57 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3h4e h ASN 57 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 3h4e h ASN 57 CO 0.00 0.00 -0.03 0.35 -1.65 0.00 0.00 177.43 176.10 3h4e n THR 58 N -2.88 0.11 -2.24 2.81 -2.24 -0.89 -4.74 114.28 104.21 3h4e n THR 58 Ca 0.00 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.31 3h4e n THR 58 Cb 0.25 -0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 67.98 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 -3.02 3.78 -0.17 2.28 1.01 -0.99 -4.94 120.40 118.36 3h4e s VAL 59 Ca 0.13 1.14 -0.18 0.00 0.00 0.00 0.00 61.98 63.07 3h4e s VAL 59 Cb 0.18 -3.73 -0.22 0.00 0.00 0.00 0.00 36.38 32.60 3h4e s VAL 59 CO 0.55 -0.02 0.33 1.23 0.00 0.00 0.00 175.10 177.20 3h4e h GLY 60 N 8.55 0.10 0.00 4.51 0.00 -1.89 -3.49 103.07 110.86 3h4e h GLY 60 Ca -0.37 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.69 3h4e h GLY 60 CO 0.91 0.23 0.00 0.61 0.00 0.00 0.00 176.54 178.29 3h4e n GLY 61 N 1.60 -0.20 4.08 4.60 0.00 -1.26 -4.65 105.19 109.36 3h4e n GLY 61 Ca -0.30 -1.74 -0.32 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.55 -1.86 0.22 1.61 8.25 -1.26 -4.85 115.22 116.78 3h4e n HIS 62 Ca 0.00 0.82 0.07 0.00 -0.26 0.00 0.00 57.72 58.35 3h4e n HIS 62 Cb 0.00 -3.40 0.51 0.00 1.12 0.00 0.00 29.99 28.22 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 -1.72 0.00 0.37 -0.41 1.08 -1.95 -1.01 115.11 111.47 3h4e h GLN 63 Ca -0.60 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 56.60 3h4e h GLN 63 Cb 1.38 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.78 3h4e h GLN 63 CO 0.72 0.25 -0.44 0.00 -0.95 0.00 0.00 178.83 178.40 3h4e h ALA 64 N 1.75 -0.95 -0.29 3.87 0.00 -1.99 0.07 119.26 121.72 3h4e h ALA 64 Ca -0.00 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.82 3h4e h ALA 64 Cb 0.51 0.66 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 3h4e h ALA 64 CO 0.03 -1.08 -0.01 0.00 0.00 0.00 0.00 179.25 178.19 3h4e h ALA 65 N -0.54 0.25 -0.94 0.00 0.00 -1.83 -0.99 119.26 115.20 3h4e h ALA 65 Ca -0.03 0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.07 3h4e h ALA 65 Cb 0.77 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 3h4e h ALA 65 CO -0.11 -0.42 0.60 0.52 0.00 0.00 0.00 179.25 179.85 3h4e h MET 66 N 0.07 0.92 -0.31 0.00 2.07 -1.06 0.98 114.93 117.60 3h4e h MET 66 Ca 0.14 -0.06 -0.08 0.00 -2.07 0.00 0.00 59.70 57.63 3h4e h MET 66 Cb 0.19 -0.21 -0.01 0.00 -1.87 0.00 0.00 31.60 29.71 3h4e h MET 66 CO -0.25 0.61 -0.13 0.37 1.07 0.00 0.00 176.91 178.59 3h4e h GLN 67 N 0.95 0.64 -0.87 1.72 5.75 -0.42 -1.78 115.11 121.10 3h4e h GLN 67 Ca 0.45 -0.27 0.08 0.00 -0.15 0.00 0.00 58.65 58.75 3h4e h GLN 67 Cb 0.42 -0.02 -0.07 0.00 1.07 0.00 0.00 27.48 28.88 3h4e h GLN 67 CO -0.21 0.85 0.53 0.52 -2.65 0.00 0.00 178.83 177.87 3h4e h MET 68 N 0.40 0.91 -0.69 1.69 2.86 -0.40 -2.38 114.93 117.33 3h4e h MET 68 Ca 0.07 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3h4e h MET 68 Cb 0.64 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 3h4e h MET 68 CO 0.04 0.60 0.40 1.25 1.06 0.00 0.00 176.91 180.26 3h4e h LEU 69 N 0.94 0.84 -0.58 1.22 5.85 -0.57 -1.61 115.31 121.41 3h4e h LEU 69 Ca 0.39 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 59.09 3h4e h LEU 69 Cb 0.25 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 3h4e h LEU 69 CO -0.20 0.67 0.29 0.50 -0.34 0.00 0.00 178.44 179.37 3h4e h LYS 70 N 0.94 0.54 -0.09 1.25 3.64 -0.87 -1.07 116.57 120.91 3h4e h LYS 70 Ca 0.25 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3h4e h LYS 70 Cb -0.00 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3h4e h LYS 70 CO -0.04 0.36 0.05 0.93 -2.27 0.00 0.00 179.45 178.48 3h4e h GLU 71 N 0.56 0.11 -0.51 1.90 5.08 -0.92 -0.73 114.58 120.07 3h4e h GLU 71 Ca 0.26 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.69 3h4e h GLU 71 Cb 0.18 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.34 3h4e h GLU 71 CO -0.18 0.07 0.15 1.15 -1.00 0.00 0.00 179.01 179.20 3h4e h THR 72 N 0.12 0.78 -0.57 1.13 2.02 -1.05 -1.26 112.91 114.08 3h4e h THR 72 Ca 0.04 -0.11 0.03 0.00 0.77 0.00 0.00 66.41 67.14 3h4e h THR 72 Cb -0.01 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 66.80 3h4e h THR 72 CO -0.02 0.06 0.33 0.40 0.37 0.00 0.00 175.52 176.66 3h4e h ILE 73 N 0.31 1.03 -0.57 3.11 2.04 -0.88 -1.49 117.51 121.06 3h4e h ILE 73 Ca 0.25 -0.22 0.04 0.00 1.00 0.00 0.00 64.86 65.94 3h4e h ILE 73 Cb 0.31 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 3h4e h ILE 73 CO -0.29 0.12 0.32 0.78 0.00 0.00 0.00 178.15 179.08 3h4e h ASN 74 N 0.64 0.48 -0.14 1.72 2.35 -0.53 -1.06 115.58 119.03 3h4e h ASN 74 Ca 0.24 0.02 0.03 0.00 -0.55 0.00 0.00 56.30 56.04 3h4e h ASN 74 Cb 0.07 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 3h4e h ASN 74 CO -0.12 0.33 -0.03 -0.33 -1.65 0.00 0.00 177.43 175.62 3h4e h GLU 75 N 0.61 0.00 -0.73 0.81 5.08 -0.59 -0.97 114.58 118.80 3h4e h GLU 75 Ca 0.25 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 3h4e h GLU 75 Cb 0.11 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 3h4e h GLU 75 CO -0.15 0.00 0.41 0.93 -1.00 0.00 0.00 179.01 179.21 3h4e h GLU 76 N 0.00 1.01 -0.38 2.33 4.39 -1.08 -0.18 114.58 120.67 3h4e h GLU 76 Ca 0.07 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 3h4e h GLU 76 Cb 0.10 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 3h4e h GLU 76 CO -0.14 0.73 0.06 0.00 -1.16 0.00 0.00 179.01 178.49 3h4e h ALA 77 N 1.44 0.51 -0.55 3.43 0.00 -0.79 -0.01 119.26 123.29 3h4e h ALA 77 Ca 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3h4e h ALA 77 Cb 0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3h4e h ALA 77 CO -0.04 0.23 0.31 0.00 0.00 0.00 0.00 179.25 179.74 3h4e h ALA 78 N 0.91 0.70 -0.82 0.00 0.00 -0.85 -0.68 119.26 118.52 3h4e h ALA 78 Ca 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3h4e h ALA 78 Cb 0.37 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3h4e h ALA 78 CO 0.01 0.21 0.45 1.49 0.00 0.00 0.00 179.25 181.40 3h4e h GLU 79 N 0.73 1.14 -0.22 0.00 4.57 -0.85 -0.46 114.58 119.50 3h4e h GLU 79 Ca 0.19 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3h4e h GLU 79 Cb 0.03 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.39 3h4e h GLU 79 CO -0.03 0.84 0.13 2.35 -1.18 0.00 0.00 179.01 181.12 3h4e h TRP 80 N 1.15 0.29 -0.85 0.92 2.91 -0.48 -2.08 115.95 117.82 3h4e h TRP 80 Ca 0.29 -0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.31 3h4e h TRP 80 Cb 0.03 -0.09 -0.04 0.00 -0.51 0.00 0.00 29.16 28.54 3h4e h TRP 80 CO 0.01 0.22 0.52 -0.44 -1.03 0.00 0.00 178.44 177.72 3h4e h ASP 81 N 0.27 1.01 -0.62 2.65 3.32 -0.56 0.19 116.42 122.68 3h4e h ASP 81 Ca 0.08 -0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.12 3h4e h ASP 81 Cb 0.02 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.26 3h4e h ASP 81 CO -0.01 0.77 0.34 -0.09 -1.72 0.00 0.00 179.24 178.52 3h4e h ARG 82 N 1.16 0.62 0.00 3.56 2.43 -0.93 -2.70 114.38 118.52 3h4e h ARG 82 Ca 0.31 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3h4e h ARG 82 Cb -0.07 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.35 3h4e h ARG 82 CO -0.06 0.41 -0.29 1.28 -1.51 0.00 0.00 179.97 179.80 3h4e n LEU 83 N -4.81 0.67 -3.12 3.80 4.77 -0.80 -4.38 117.00 113.13 3h4e n LEU 83 Ca 0.07 0.39 -0.19 0.00 -0.03 0.00 0.00 56.01 56.25 3h4e n LEU 83 Cb 0.15 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 3h4e n LEU 83 CO 0.29 -0.09 -0.17 1.41 -1.33 0.00 0.00 177.39 177.51 3h4e n HIS 84 N -2.07 0.83 -1.67 -1.77 8.25 0.62 -5.08 115.22 114.33 3h4e n HIS 84 Ca 0.05 -3.80 -0.49 0.00 -0.26 0.00 0.00 57.72 53.22 3h4e n HIS 84 Cb 0.42 -0.43 -0.05 0.00 1.12 0.00 0.00 29.99 31.05 3h4e n HIS 84 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3h4e n PRO 85 N 0.18 1.88 -2.19 -0.41 -0.02 -1.09 -4.75 135.00 128.60 3h4e n PRO 85 Ca 0.25 0.68 -0.43 0.00 -2.02 0.00 0.00 63.50 61.99 3h4e n PRO 85 Cb 0.63 -2.45 -0.02 0.00 -0.02 0.00 0.00 33.50 31.63 3h4e n PRO 85 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h4e s VAL 86 N 2.37 3.81 0.43 -1.45 1.01 -1.26 -4.99 120.40 120.32 3h4e s VAL 86 Ca 0.87 0.91 -0.24 0.00 0.00 0.00 0.00 61.98 63.53 3h4e s VAL 86 Cb -0.78 -3.83 -0.08 0.00 0.00 0.00 0.00 36.38 31.70 3h4e s VAL 86 CO 0.48 -0.34 1.14 -1.00 0.00 0.00 0.00 175.10 175.37 3h4e s HIS 87 N 5.00 3.03 0.00 5.22 3.76 -1.26 -5.04 115.29 125.99 3h4e s HIS 87 Ca 0.67 1.57 0.00 0.00 -0.15 0.00 0.00 55.06 57.15 3h4e s HIS 87 Cb -0.23 -3.32 0.00 0.00 1.11 0.00 0.00 32.58 30.14 3h4e s HIS 87 CO 0.28 -1.24 0.00 0.00 -0.85 0.00 0.00 174.74 172.93 3h4e n ALA 88 N -0.22 0.00 -0.20 -1.40 0.00 -1.26 -4.95 120.51 112.48 3h4e n ALA 88 Ca 0.06 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.52 3h4e n ALA 88 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 3h4e n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h4e n GLY 89 N 4.73 -2.06 3.84 0.00 0.00 -1.26 -4.96 105.19 105.48 3h4e n GLY 89 Ca 0.00 -1.44 -0.31 0.00 0.00 0.00 0.00 46.02 44.27 3h4e n GLY 89 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3h4e s PRO 90 N -2.21 3.20 -0.19 1.61 0.02 -1.26 -5.03 135.00 131.14 3h4e s PRO 90 Ca 0.00 0.88 -0.14 0.00 0.02 0.00 0.00 61.00 61.75 3h4e s PRO 90 Cb 0.00 -2.02 -0.04 0.00 0.02 0.00 0.00 34.50 32.45 3h4e s PRO 90 CO 0.00 -0.89 0.32 0.42 -0.33 0.00 0.00 177.00 176.52 3h4e s ILE 91 N -3.10 5.26 0.40 2.83 1.09 -1.26 -5.05 121.20 121.38 3h4e s ILE 91 Ca 0.57 0.57 -0.27 0.00 -1.10 0.00 0.00 60.65 60.42 3h4e s ILE 91 Cb -0.13 -3.66 -0.09 0.00 -1.06 0.00 0.00 42.46 37.52 3h4e s ILE 91 CO 0.55 0.31 1.38 0.00 -0.10 0.00 0.00 174.94 177.07 3h4e s ALA 92 N 0.99 3.35 0.23 9.38 0.00 -1.26 -4.91 121.76 129.53 3h4e s ALA 92 Ca 0.16 1.37 -0.32 0.00 0.00 0.00 0.00 51.96 53.18 3h4e s ALA 92 Cb -0.14 -3.54 -0.12 0.00 0.00 0.00 0.00 23.12 19.32 3h4e s ALA 92 CO 0.06 -0.96 1.66 -2.30 0.00 0.00 0.00 175.76 174.23 3h4e n PRO 93 N 0.18 2.66 0.00 0.00 -0.02 -1.26 -0.83 135.00 135.74 3h4e n PRO 93 Ca 0.03 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 3h4e n PRO 93 Cb 0.42 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 3h4e n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h4e n GLY 94 N 3.37 3.07 3.97 -1.23 0.00 -1.26 -5.04 105.19 108.06 3h4e n GLY 94 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 3h4e n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h4e s GLN 95 N -0.26 2.16 0.10 1.61 -1.52 -0.01 -5.11 119.66 116.64 3h4e s GLN 95 Ca 0.00 -0.75 0.09 0.00 -1.95 0.00 0.00 55.36 52.75 3h4e s GLN 95 Cb 0.00 -2.35 -0.04 0.00 -0.22 0.00 0.00 33.01 30.40 3h4e s GLN 95 CO 0.00 -1.09 -0.23 -1.64 -0.25 0.00 0.00 175.29 172.08 3h4e s MET 96 N -5.01 1.24 0.73 2.91 -1.94 -1.26 -4.82 119.30 111.14 3h4e s MET 96 Ca 0.61 -1.19 -0.16 0.00 -1.71 0.00 0.00 55.69 53.24 3h4e s MET 96 Cb -0.09 -1.56 0.01 0.00 2.01 0.00 0.00 34.83 35.20 3h4e s MET 96 CO 0.42 0.37 0.98 2.89 -0.01 0.00 0.00 175.02 179.67 3h4e n ARG 97 N 1.12 0.49 -2.44 2.03 1.85 -1.26 -4.96 116.66 113.49 3h4e n ARG 97 Ca -0.19 0.23 -0.39 0.00 -1.00 0.00 0.00 57.85 56.49 3h4e n ARG 97 Cb 0.53 -2.24 -0.04 0.00 -1.05 0.00 0.00 32.46 29.67 3h4e n ARG 97 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 3h4e s GLU 98 N -3.38 4.47 -0.02 2.89 2.02 -1.26 -5.02 118.70 118.40 3h4e s GLU 98 Ca 0.73 1.78 -0.25 0.00 0.02 0.00 0.00 54.97 57.26 3h4e s GLU 98 Cb -0.34 -3.01 -0.04 0.00 0.10 0.00 0.00 34.13 30.84 3h4e s GLU 98 CO 0.50 0.06 0.76 -1.25 0.02 0.00 0.00 175.26 175.36 3h4e s PRO 99 N -1.76 4.47 0.84 0.39 0.05 -1.26 -5.01 135.00 132.73 3h4e s PRO 99 Ca 0.49 1.02 -0.07 0.00 0.05 0.00 0.00 61.00 62.48 3h4e s PRO 99 Cb -0.31 -3.42 0.18 0.00 0.05 0.00 0.00 34.50 31.00 3h4e s PRO 99 CO 0.39 0.11 1.15 1.03 0.05 0.00 0.00 177.00 179.74 3h4e s ARG 100 N 0.58 1.08 0.19 4.56 0.52 -1.26 -4.88 118.95 119.74 3h4e s ARG 100 Ca 0.40 -0.95 -0.11 0.00 -0.52 0.00 0.00 55.73 54.54 3h4e s ARG 100 Cb -0.19 -2.13 0.22 0.00 0.52 0.00 0.00 34.95 33.37 3h4e s ARG 100 CO 0.21 -1.96 1.75 0.78 0.02 0.00 0.00 175.30 176.10 3h4e h GLY 101 N -1.05 0.74 2.00 -3.53 0.00 -1.92 -1.43 103.07 97.89 3h4e h GLY 101 Ca -0.38 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3h4e h GLY 101 CO 0.35 -0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.75 3h4e n SER 102 N -5.00 0.52 -0.00 0.19 3.41 -1.26 -2.22 113.62 109.25 3h4e n SER 102 Ca 0.07 0.57 -0.17 0.00 -0.26 0.00 0.00 58.87 59.07 3h4e n SER 102 Cb 0.23 -0.70 -0.11 0.00 -0.26 0.00 0.00 64.21 63.37 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 0.56 -0.54 4.04 3.32 -1.60 -0.63 116.42 121.57 3h4e h ASP 103 Ca 0.00 -0.74 -0.02 0.00 0.02 0.00 0.00 57.03 56.29 3h4e h ASP 103 Cb 0.55 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 3h4e h ASP 103 CO 0.00 1.22 0.28 0.40 -1.72 0.00 0.00 179.24 179.42 3h4e h ILE 104 N -0.05 1.19 -0.02 0.35 2.04 -1.23 -2.29 117.51 117.50 3h4e h ILE 104 Ca -0.07 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.27 3h4e h ILE 104 Cb 1.30 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3h4e h ILE 104 CO 0.12 0.22 0.00 0.00 0.00 0.00 0.00 178.15 178.49 3h4e n ALA 105 N -2.45 2.62 -1.00 1.87 0.00 -0.94 -4.65 120.51 115.95 3h4e n ALA 105 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3h4e n ALA 105 Cb 0.12 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 0.90 0.37 0.14 0.00 0.00 -0.86 -4.89 105.19 100.84 3h4e n GLY 106 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 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 1.25 0.00 2.61 2.02 -1.38 -3.38 112.91 114.03 3h4e h THR 107 Ca 0.00 -2.75 0.00 0.00 0.77 0.00 0.00 66.41 64.43 3h4e h THR 107 Cb 0.27 2.95 0.00 0.00 -1.74 0.00 0.00 68.15 69.63 3h4e h THR 107 CO 0.00 0.84 -0.01 0.35 0.37 0.00 0.00 175.52 177.07 3h4e n THR 108 N -3.63 1.22 -4.39 3.16 -2.24 -0.70 -5.02 114.28 102.69 3h4e n THR 108 Ca -0.17 -1.33 -0.28 0.00 -2.27 0.00 0.00 64.05 60.01 3h4e n THR 108 Cb 1.08 0.29 -0.12 0.00 -2.10 0.00 0.00 70.33 69.48 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 -1.54 3.27 0.47 3.42 1.04 -1.26 -4.83 113.70 114.28 3h4e s SER 109 Ca 0.10 -0.79 -0.02 0.00 0.48 0.00 0.00 55.95 55.71 3h4e s SER 109 Cb 0.08 -0.22 -0.01 0.00 0.10 0.00 0.00 66.02 65.97 3h4e s SER 109 CO 0.01 0.14 0.73 0.42 0.98 0.00 0.00 173.24 175.52 3h4e s THR 110 N -1.33 4.33 0.27 2.02 -4.23 -1.26 -4.88 115.64 110.56 3h4e s THR 110 Ca 0.16 -0.22 -0.02 0.00 -1.18 0.00 0.00 61.69 60.43 3h4e s THR 110 Cb -0.09 -3.63 0.27 0.00 1.34 0.00 0.00 72.50 70.39 3h4e s THR 110 CO 0.07 -0.52 1.88 0.25 -0.54 0.00 0.00 174.62 175.76 3h4e h LEU 111 N 0.29 1.03 -0.76 4.79 5.85 -1.99 -0.74 115.31 123.79 3h4e h LEU 111 Ca -0.47 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 3h4e h LEU 111 Cb 1.24 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 3h4e h LEU 111 CO 0.60 0.65 0.46 1.56 -0.34 0.00 0.00 178.44 181.38 3h4e h GLN 112 N 1.17 1.02 -0.12 1.25 7.50 -1.99 -0.16 115.11 123.77 3h4e h GLN 112 Ca 0.43 -0.09 -0.02 0.00 0.50 0.00 0.00 58.65 59.48 3h4e h GLN 112 Cb 0.18 -0.22 -0.00 0.00 0.05 0.00 0.00 27.48 27.49 3h4e h GLN 112 CO -0.17 0.71 0.01 0.93 -1.50 0.00 0.00 178.83 178.81 3h4e h GLU 113 N 1.03 0.21 -0.86 1.46 5.08 -1.82 -1.05 114.58 118.64 3h4e h GLU 113 Ca 0.27 -0.06 0.11 0.00 -1.00 0.00 0.00 59.36 58.68 3h4e h GLU 113 Cb -0.05 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.09 3h4e h GLU 113 CO -0.05 0.44 0.49 1.96 -1.00 0.00 0.00 179.01 180.84 3h4e h GLN 114 N -0.04 0.75 -0.29 2.33 4.20 -0.81 -0.99 115.11 120.27 3h4e h GLN 114 Ca 0.04 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 3h4e h GLN 114 Cb 0.34 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 3h4e h GLN 114 CO 0.00 0.50 -0.01 0.82 -0.67 0.00 0.00 178.83 179.48 3h4e h ILE 115 N 0.78 1.26 -0.61 2.54 2.04 -0.94 -2.39 117.51 120.19 3h4e h ILE 115 Ca 0.43 -0.95 0.10 0.00 1.00 0.00 0.00 64.86 65.44 3h4e h ILE 115 Cb 0.47 1.31 -0.08 0.00 -0.74 0.00 0.00 36.82 37.78 3h4e h ILE 115 CO -0.28 0.31 0.20 1.23 0.00 0.00 0.00 178.15 179.60 3h4e h GLY 116 N 0.31 0.84 0.85 5.37 0.00 -0.12 -1.39 103.07 108.93 3h4e h GLY 116 Ca 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 3h4e h GLY 116 CO 0.02 -0.06 0.05 1.49 0.00 0.00 0.00 176.54 178.04 3h4e h TRP 117 N 0.36 0.35 -0.09 5.60 6.55 -1.15 -2.42 115.95 125.15 3h4e h TRP 117 Ca 0.31 -0.04 -0.09 0.00 0.95 0.00 0.00 58.89 60.02 3h4e h TRP 117 Cb 0.42 -0.10 -0.01 0.00 -0.86 0.00 0.00 29.16 28.61 3h4e h TRP 117 CO -0.19 0.45 -0.35 0.52 -1.05 0.00 0.00 178.44 177.82 3h4e h MET 118 N 0.14 0.17 -0.50 0.49 2.86 -1.02 0.13 114.93 117.20 3h4e h MET 118 Ca 0.06 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3h4e h MET 118 Cb 0.28 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.93 3h4e h MET 118 CO 0.00 0.50 0.00 0.25 1.06 0.00 0.00 176.91 178.72 3h4e n THR 119 N -4.09 0.85 -1.38 2.22 -2.24 -0.56 -4.58 114.28 104.50 3h4e n THR 119 Ca -0.01 -0.92 -0.30 0.00 -2.27 0.00 0.00 64.05 60.54 3h4e n THR 119 Cb 0.42 0.63 0.09 0.00 -2.10 0.00 0.00 70.33 69.37 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 -1.08 2.69 -0.28 4.78 5.04 -0.91 -4.88 115.29 120.64 3h4e s HIS 120 Ca 0.36 1.37 0.03 0.00 -1.54 0.00 0.00 55.06 55.28 3h4e s HIS 120 Cb 0.19 -3.05 0.07 0.00 0.04 0.00 0.00 32.58 29.84 3h4e s HIS 120 CO 0.26 -1.80 -0.05 1.21 -2.34 0.00 0.00 174.74 172.02 3h4e s ASN 121 N -3.59 4.37 0.61 9.88 2.47 -1.26 -0.18 114.94 127.23 3h4e s ASN 121 Ca 0.61 -1.55 -0.13 0.00 0.42 0.00 0.00 52.86 52.21 3h4e s ASN 121 Cb -0.16 -1.45 -0.04 0.00 -1.45 0.00 0.00 41.25 38.15 3h4e s ASN 121 CO 0.56 -0.26 1.03 -2.84 -3.72 0.00 0.00 177.10 171.86 3h4e s PRO 122 N 1.14 3.55 0.60 0.43 0.02 -1.26 -5.14 135.00 134.34 3h4e s PRO 122 Ca -0.02 0.87 -0.17 0.00 0.02 0.00 0.00 61.00 61.70 3h4e s PRO 122 Cb -0.19 -2.07 -0.03 0.00 0.02 0.00 0.00 34.50 32.22 3h4e s PRO 122 CO -0.07 -0.61 1.10 -2.14 -0.33 0.00 0.00 177.00 174.95 3h4e s PRO 123 N -4.80 3.13 -0.33 5.54 0.02 0.75 -5.01 135.00 134.29 3h4e s PRO 123 Ca 0.57 1.42 -0.01 0.00 0.02 0.00 0.00 61.00 63.00 3h4e s PRO 123 Cb -0.12 -1.99 0.07 0.00 0.02 0.00 0.00 34.50 32.48 3h4e s PRO 123 CO 0.47 -0.99 0.06 0.42 -0.33 0.00 0.00 177.00 176.63 3h4e s ILE 124 N -2.17 2.98 -1.45 2.83 1.01 0.43 -4.97 121.20 119.86 3h4e s ILE 124 Ca 0.68 -1.67 -0.13 0.00 0.00 0.00 0.00 60.65 59.53 3h4e s ILE 124 Cb -0.20 -2.85 0.04 0.00 0.01 0.00 0.00 42.46 39.46 3h4e s ILE 124 CO 0.35 -0.31 2.24 -0.81 0.00 0.00 0.00 174.94 176.41 3h4e n PRO 125 N 4.57 2.96 0.26 2.79 -0.05 -1.26 -3.33 135.00 140.94 3h4e n PRO 125 Ca -0.09 -2.65 0.08 0.00 -0.05 0.00 0.00 63.50 60.79 3h4e n PRO 125 Cb 0.43 -3.23 0.63 0.00 -0.05 0.00 0.00 33.50 31.27 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 3.92 1.01 -0.02 0.52 -1.51 -1.90 -0.55 116.25 117.72 3h4e h VAL 126 Ca 0.57 -0.04 -0.00 0.00 -1.23 0.00 0.00 66.70 66.00 3h4e h VAL 126 Cb 0.62 1.02 -0.00 0.00 -2.13 0.00 0.00 31.29 30.80 3h4e h VAL 126 CO 1.86 0.01 0.01 1.23 -1.23 0.00 0.00 177.57 179.46 3h4e h GLY 127 N 0.03 0.03 1.83 5.19 0.00 -1.84 -1.32 103.07 106.99 3h4e h GLY 127 Ca -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 3h4e h GLY 127 CO 0.00 0.01 -0.54 0.83 0.00 0.00 0.00 176.54 176.84 3h4e h GLU 128 N -0.00 0.18 -0.02 4.80 4.39 -1.41 -0.46 114.58 122.06 3h4e h GLU 128 Ca 0.01 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 3h4e h GLU 128 Cb 0.03 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3h4e h GLU 128 CO -0.00 0.68 -0.01 0.82 -1.16 0.00 0.00 179.01 179.34 3h4e h ILE 129 N 0.14 1.31 -0.47 3.13 2.04 -1.19 -2.31 117.51 120.16 3h4e h ILE 129 Ca 0.00 -0.92 0.04 0.00 1.00 0.00 0.00 64.86 64.97 3h4e h ILE 129 Cb 1.00 1.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.93 3h4e h ILE 129 CO 0.08 0.24 0.25 0.22 0.00 0.00 0.00 178.15 178.95 3h4e h TYR 130 N -0.34 0.46 -0.81 1.37 3.20 -1.14 -2.09 116.97 117.63 3h4e h TYR 130 Ca 0.01 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.97 3h4e h TYR 130 Cb 0.40 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.48 3h4e h TYR 130 CO 0.06 0.24 0.53 -0.22 -1.64 0.00 0.00 178.16 177.13 3h4e h LYS 131 N 0.50 0.80 -0.63 1.82 3.64 -1.06 -0.99 116.57 120.65 3h4e h LYS 131 Ca 0.20 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3h4e h LYS 131 Cb 0.09 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 3h4e h LYS 131 CO -0.13 0.53 0.40 -0.09 -2.27 0.00 0.00 179.45 177.89 3h4e h ARG 132 N 0.82 0.83 -0.20 1.90 2.43 -0.79 -1.17 114.38 118.21 3h4e h ARG 132 Ca 0.36 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.44 3h4e h ARG 132 Cb 0.33 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3h4e h ARG 132 CO -0.14 0.57 -0.02 -1.49 -1.51 0.00 0.00 179.97 177.38 3h4e h TRP 133 N 0.85 0.40 -0.71 2.20 6.55 -0.93 -2.02 115.95 122.29 3h4e h TRP 133 Ca 0.23 -0.08 0.10 0.00 0.95 0.00 0.00 58.89 60.09 3h4e h TRP 133 Cb -0.08 -0.10 -0.07 0.00 -0.86 0.00 0.00 29.16 28.05 3h4e h TRP 133 CO -0.03 0.58 0.35 0.82 -1.05 0.00 0.00 178.44 179.12 3h4e h ILE 134 N 0.10 0.84 -0.43 1.49 2.04 -1.12 -1.74 117.51 118.69 3h4e h ILE 134 Ca 0.05 -0.20 -0.11 0.00 1.00 0.00 0.00 64.86 65.60 3h4e h ILE 134 Cb 0.44 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 3h4e h ILE 134 CO 0.01 0.11 -0.16 0.40 0.00 0.00 0.00 178.15 178.51 3h4e h ILE 135 N 0.60 1.26 -0.13 -0.67 2.04 -1.08 0.32 117.51 119.86 3h4e h ILE 135 Ca 0.35 -1.26 0.04 0.00 1.00 0.00 0.00 64.86 65.00 3h4e h ILE 135 Cb 0.38 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 3h4e h ILE 135 CO -0.27 0.43 -0.17 -0.07 0.00 0.00 0.00 178.15 178.06 3h4e h LEU 136 N 0.72 -0.54 -0.61 1.44 3.38 -0.74 0.11 115.31 119.07 3h4e h LEU 136 Ca 0.11 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.20 3h4e h LEU 136 Cb 0.67 0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 3h4e h LEU 136 CO 0.05 -0.22 0.38 1.23 0.09 0.00 0.00 178.44 179.96 3h4e h GLY 137 N -0.22 0.88 1.01 0.83 0.00 -0.97 -2.56 103.07 102.04 3h4e h GLY 137 Ca 0.10 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 3h4e h GLY 137 CO -0.26 0.24 0.50 1.41 0.00 0.00 0.00 176.54 178.43 3h4e h LEU 138 N 0.74 0.95 -0.66 3.11 3.38 -0.48 -2.09 115.31 120.25 3h4e h LEU 138 Ca 0.25 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.21 3h4e h LEU 138 Cb 0.02 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 3h4e h LEU 138 CO -0.10 0.72 0.38 0.78 0.09 0.00 0.00 178.44 180.31 3h4e h ASN 139 N 1.09 0.59 -0.42 -0.43 2.35 -0.50 0.14 115.58 118.41 3h4e h ASN 139 Ca 0.29 0.02 0.04 0.00 -0.55 0.00 0.00 56.30 56.10 3h4e h ASN 139 Cb -0.06 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.17 3h4e h ASN 139 CO -0.06 0.39 0.19 0.11 -1.65 0.00 0.00 177.43 176.42 3h4e h LYS 140 N 0.72 0.38 -0.69 0.81 1.57 -1.03 -1.52 116.57 116.81 3h4e h LYS 140 Ca 0.29 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.02 3h4e h LYS 140 Cb 0.13 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 3h4e h LYS 140 CO -0.15 0.25 0.33 0.82 -0.57 0.00 0.00 179.45 180.12 3h4e h ILE 141 N 0.39 1.23 -0.54 1.86 2.04 -0.84 -1.61 117.51 120.05 3h4e h ILE 141 Ca 0.18 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.40 3h4e h ILE 141 Cb 0.12 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 3h4e h ILE 141 CO -0.15 0.27 0.35 0.58 0.00 0.00 0.00 178.15 179.20 3h4e h VAL 142 N 0.96 1.10 -0.76 1.67 2.07 -0.49 -0.58 116.25 120.23 3h4e h VAL 142 Ca 0.24 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 3h4e h VAL 142 Cb 0.13 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 3h4e h VAL 142 CO -0.03 0.13 0.28 0.03 0.02 0.00 0.00 177.57 178.00 3h4e h ARG 143 N 0.70 1.15 -0.50 1.57 3.08 -1.06 -2.62 114.38 116.69 3h4e h ARG 143 Ca 0.21 -0.22 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 3h4e h ARG 143 Cb -0.04 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 3h4e h ARG 143 CO -0.07 0.95 -0.11 0.52 -1.07 0.00 0.00 179.97 180.19 3h4e h MET 144 N 1.11 0.94 -0.02 0.04 2.86 -0.90 -2.93 114.93 116.03 3h4e h MET 144 Ca 0.25 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3h4e h MET 144 Cb 0.25 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.84 3h4e h MET 144 CO -0.02 1.00 0.00 0.66 1.06 0.00 0.00 176.91 179.62 3h4e n TYR 145 N -4.15 0.02 -1.91 -0.22 4.02 -0.26 -4.83 117.16 109.83 3h4e n TYR 145 Ca 0.01 -0.01 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 3h4e n TYR 145 Cb 0.39 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.69 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 -1.90 6.60 0.08 7.72 0.15 -1.00 -4.91 113.70 120.45 3h4e s SER 146 Ca 0.40 2.45 0.24 0.00 0.70 0.00 0.00 55.95 59.74 3h4e s SER 146 Cb 0.20 -2.55 0.95 0.00 -1.71 0.00 0.00 66.02 62.90 3h4e s SER 146 CO 0.33 -0.92 1.74 -2.65 1.20 0.00 0.00 173.24 172.94 3h4e n PRO 147 N 6.23 0.08 -3.68 5.44 -0.02 -1.26 -4.87 135.00 136.92 3h4e n PRO 147 Ca 0.17 0.18 -0.15 0.00 -2.02 0.00 0.00 63.50 61.68 3h4e n PRO 147 Cb 0.41 -1.62 -0.08 0.00 -0.02 0.00 0.00 33.50 32.19 3h4e n PRO 147 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3h4e s THR 148 N -3.07 0.03 0.42 3.45 2.01 -1.26 -5.16 115.64 112.07 3h4e s THR 148 Ca 0.10 -0.25 -0.19 0.00 0.31 0.00 0.00 61.69 61.66 3h4e s THR 148 Cb 0.14 -0.73 -0.10 0.00 0.01 0.00 0.00 72.50 71.81 3h4e s THR 148 CO 0.45 -0.14 0.92 -0.55 -0.69 0.00 0.00 174.62 174.61 3h4e s SER 149 N -1.00 6.85 0.55 3.53 0.15 -1.26 -4.91 113.70 117.61 3h4e s SER 149 Ca -0.10 1.59 0.28 0.00 0.70 0.00 0.00 55.95 58.42 3h4e s SER 149 Cb -0.03 -2.50 1.58 0.00 -1.71 0.00 0.00 66.02 63.35 3h4e s SER 149 CO 0.05 -0.37 2.13 -0.29 1.20 0.00 0.00 173.24 175.96 3h4e h ILE 150 N 1.74 0.54 0.00 6.45 6.09 -1.97 -2.20 117.51 128.17 3h4e h ILE 150 Ca -0.48 -0.37 0.00 0.00 -1.37 0.00 0.00 64.86 62.64 3h4e h ILE 150 Cb 1.18 1.24 0.00 0.00 0.47 0.00 0.00 36.82 39.71 3h4e h ILE 150 CO 0.62 0.08 0.00 -0.07 -3.07 0.00 0.00 178.15 175.71 3h4e h LEU 151 N 0.00 0.00 -2.13 2.19 3.38 -2.01 -2.92 115.31 113.82 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 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3h4e h LEU 151 CO 0.01 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.01 3h4e n ASP 152 N -3.04 3.10 -4.47 -0.43 8.00 -0.83 -4.81 116.55 114.07 3h4e n ASP 152 Ca 0.01 -2.00 -0.43 0.00 0.71 0.00 0.00 54.79 53.08 3h4e n ASP 152 Cb 0.29 -0.38 -0.08 0.00 -0.02 0.00 0.00 41.12 40.93 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 -1.23 5.06 -0.01 0.53 -1.09 -1.11 -5.02 121.20 118.33 3h4e s ILE 153 Ca 0.39 -0.40 0.00 0.00 -2.23 0.00 0.00 60.65 58.41 3h4e s ILE 153 Cb 0.20 -4.08 0.01 0.00 -1.58 0.00 0.00 42.46 37.01 3h4e s ILE 153 CO 0.27 -0.49 0.01 -0.13 -1.23 0.00 0.00 174.94 173.37 3h4e s ARG 154 N 2.18 0.01 0.10 2.79 0.52 -1.26 -4.86 118.95 118.43 3h4e s ARG 154 Ca 0.12 0.07 -0.32 0.00 -0.52 0.00 0.00 55.73 55.08 3h4e s ARG 154 Cb -0.18 -0.12 -0.12 0.00 0.52 0.00 0.00 34.95 35.06 3h4e s ARG 154 CO 0.13 -0.07 1.79 0.94 0.02 0.00 0.00 175.30 178.12 3h4e n GLN 155 N 3.53 2.59 -0.94 3.54 7.27 -0.74 -4.96 117.38 127.68 3h4e n GLN 155 Ca -0.19 0.94 -0.33 0.00 0.07 0.00 0.00 57.00 57.49 3h4e n GLN 155 Cb 0.56 -2.80 0.13 0.00 2.41 0.00 0.00 30.24 30.54 3h4e n GLN 155 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3h4e n GLY 156 N 4.09 -0.76 0.19 1.69 0.00 -1.26 -4.27 105.19 104.86 3h4e n GLY 156 Ca 0.18 -0.60 -0.01 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.26 0.17 -0.14 1.61 0.11 -2.02 -3.04 132.00 127.44 3h4e h PRO 157 Ca -0.45 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3h4e h PRO 157 Cb 1.29 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3h4e h PRO 157 CO 0.41 0.58 0.00 1.63 -0.21 0.00 0.00 178.00 180.41 3h4e n LYS 158 N -4.01 1.43 -2.96 1.05 4.01 -1.26 -4.99 118.16 111.42 3h4e n LYS 158 Ca -0.02 -1.52 -0.41 0.00 -0.51 0.00 0.00 58.31 55.86 3h4e n LYS 158 Cb 0.48 -1.25 -0.04 0.00 -0.51 0.00 0.00 35.03 33.71 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 -1.01 4.35 0.47 1.97 2.12 -1.15 -5.02 118.70 120.42 3h4e s GLU 159 Ca 0.18 0.94 -0.24 0.00 0.36 0.00 0.00 54.97 56.20 3h4e s GLU 159 Cb 0.11 -3.53 -0.08 0.00 0.26 0.00 0.00 34.13 30.90 3h4e s GLU 159 CO 0.16 -0.17 1.33 -2.30 -0.54 0.00 0.00 175.26 173.75 3h4e n PRO 160 N 4.64 1.95 -0.18 4.30 -0.02 -1.26 -4.64 135.00 139.79 3h4e n PRO 160 Ca 0.02 0.70 -0.01 0.00 -2.02 0.00 0.00 63.50 62.19 3h4e n PRO 160 Cb 0.50 -2.50 0.09 0.00 -0.02 0.00 0.00 33.50 31.56 3h4e n PRO 160 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3h4e h PHE 161 N 1.96 0.12 -0.65 6.00 3.57 -1.96 -2.17 116.94 123.80 3h4e h PHE 161 Ca -0.50 0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.13 3h4e h PHE 161 Cb 1.29 0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.99 3h4e h PHE 161 CO 0.47 -0.06 0.30 -0.09 -2.23 0.00 0.00 178.31 176.71 3h4e h ARG 162 N 0.21 0.50 -0.48 1.11 2.43 -1.90 0.19 114.38 116.43 3h4e h ARG 162 Ca 0.29 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 3h4e h ARG 162 Cb 0.42 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 3h4e h ARG 162 CO -0.40 0.33 0.27 -0.44 -1.51 0.00 0.00 179.97 178.22 3h4e h ASP 163 N 0.52 0.58 -0.08 -3.80 3.32 -1.77 -0.84 116.42 114.35 3h4e h ASP 163 Ca 0.32 -0.03 -0.15 0.00 0.02 0.00 0.00 57.03 57.19 3h4e h ASP 163 Cb 0.35 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.77 3h4e h ASP 163 CO -0.27 0.46 -0.52 0.22 -1.72 0.00 0.00 179.24 177.41 3h4e h TYR 164 N 0.66 0.68 -0.64 4.55 3.20 -0.76 -2.33 116.97 122.33 3h4e h TYR 164 Ca 0.17 -0.31 -0.06 0.00 3.14 0.00 0.00 58.73 61.67 3h4e h TYR 164 Cb 0.01 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 3h4e h TYR 164 CO 0.00 1.10 0.16 0.28 -1.64 0.00 0.00 178.16 178.05 3h4e h VAL 165 N 0.07 1.25 -0.20 1.81 2.07 -0.82 0.36 116.25 120.78 3h4e h VAL 165 Ca -0.04 -0.91 0.06 0.00 0.82 0.00 0.00 66.70 66.63 3h4e h VAL 165 Cb 1.18 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 31.47 3h4e h VAL 165 CO 0.11 0.34 -0.21 0.44 0.02 0.00 0.00 177.57 178.27 3h4e h ASP 166 N 0.96 -0.68 -0.73 0.57 3.45 -1.12 -0.36 116.42 118.51 3h4e h ASP 166 Ca 0.20 0.12 -0.04 0.00 0.43 0.00 0.00 57.03 57.75 3h4e h ASP 166 Cb 0.34 0.32 -0.03 0.00 -0.56 0.00 0.00 39.33 39.39 3h4e h ASP 166 CO 0.00 -0.26 0.31 0.03 -1.57 0.00 0.00 179.24 177.75 3h4e h ARG 167 N -0.24 1.09 0.44 3.56 3.08 -1.01 -0.66 114.38 120.65 3h4e h ARG 167 Ca 0.12 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3h4e h ARG 167 Cb 0.42 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 3h4e h ARG 167 CO -0.34 0.87 -0.28 0.35 -1.07 0.00 0.00 179.97 179.51 3h4e h PHE 168 N 1.07 -0.73 0.00 3.04 3.57 -0.42 -1.94 116.94 121.53 3h4e h PHE 168 Ca 0.25 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.60 3h4e h PHE 168 Cb 0.18 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 3h4e h PHE 168 CO 0.02 -0.43 -0.66 1.88 -2.23 0.00 0.00 178.31 176.89 3h4e h TYR 169 N -0.69 0.00 -0.47 0.41 0.05 -0.96 -0.83 116.97 114.48 3h4e h TYR 169 Ca -0.05 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 3h4e h TYR 169 Cb 0.57 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.29 3h4e h TYR 169 CO -0.10 0.66 0.21 0.87 -1.05 0.00 0.00 178.16 178.75 3h4e h LYS 170 N 0.00 0.68 -0.19 4.88 6.56 -1.12 -1.58 116.57 125.81 3h4e h LYS 170 Ca -0.01 -0.11 -0.02 0.00 -1.06 0.00 0.00 60.65 59.45 3h4e h LYS 170 Cb 1.27 -0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 32.80 3h4e h LYS 170 CO 0.09 0.59 0.03 1.15 -2.06 0.00 0.00 179.45 179.25 3h4e h THR 171 N 0.61 1.22 -0.52 -0.16 2.02 -1.14 -2.41 112.91 112.53 3h4e h THR 171 Ca 0.16 -0.71 0.03 0.00 0.77 0.00 0.00 66.41 66.66 3h4e h THR 171 Cb 0.15 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 3h4e h THR 171 CO -0.02 0.22 0.35 0.25 0.37 0.00 0.00 175.52 176.69 3h4e h LEU 172 N 0.10 0.51 -0.18 2.58 5.85 -1.10 -1.58 115.31 121.49 3h4e h LEU 172 Ca 0.06 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.65 3h4e h LEU 172 Cb 0.30 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.21 3h4e h LEU 172 CO 0.00 0.36 -0.37 -0.09 -0.34 0.00 0.00 178.44 178.00 3h4e h ARG 173 N 0.60 0.56 0.09 1.25 2.43 -1.08 -2.85 114.38 115.38 3h4e h ARG 173 Ca 0.21 -0.37 -0.00 0.00 -0.81 0.00 0.00 59.98 59.01 3h4e h ARG 173 Cb 0.09 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3h4e h ARG 173 CO -0.05 0.98 -0.04 0.00 -1.51 0.00 0.00 179.97 179.34 3h4e h ALA 174 N 0.58 -0.12 -0.86 2.80 0.00 -1.10 -2.82 119.26 117.74 3h4e h ALA 174 Ca 0.00 -0.06 0.20 0.00 0.00 0.00 0.00 54.91 55.05 3h4e h ALA 174 Cb 0.97 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 3h4e h ALA 174 CO 0.08 -0.53 0.58 0.93 0.00 0.00 0.00 179.25 180.31 3h4e h GLU 175 N -0.19 0.33 0.00 0.00 4.39 -1.33 -3.28 114.58 114.49 3h4e h GLU 175 Ca -0.01 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3h4e h GLU 175 Cb 0.16 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3h4e h GLU 175 CO 0.02 0.22 0.00 1.04 -1.16 0.00 0.00 179.01 179.13 3h4e n GLN 176 N -4.47 0.00 0.00 2.33 6.02 -1.07 -4.76 117.38 115.44 3h4e n GLN 176 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 3h4e n GLN 176 Cb 0.70 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.96 3h4e n GLN 176 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3h4e n THR 188 N 0.00 0.00 0.03 5.09 -2.24 -1.26 -4.99 114.28 110.91 3h4e n THR 188 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 3h4e n THR 188 Cb 0.00 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.32 3h4e n THR 188 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3h4e h LEU 189 N 0.00 0.49 -0.35 3.22 5.85 -2.04 -2.56 115.31 119.93 3h4e h LEU 189 Ca 0.00 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 3h4e h LEU 189 Cb 0.00 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3h4e h LEU 189 CO 0.00 0.94 0.19 0.25 -0.34 0.00 0.00 178.44 179.48 3h4e h LEU 190 N 0.35 0.44 -0.46 2.25 5.85 -1.98 -2.30 115.31 119.45 3h4e h LEU 190 Ca 0.01 -0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.54 3h4e h LEU 190 Cb 1.06 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 3h4e h LEU 190 CO 0.10 0.40 -0.12 -0.37 -0.34 0.00 0.00 178.44 178.10 3h4e h VAL 191 N 0.44 1.27 -0.73 1.05 -1.51 -1.98 -3.10 116.25 111.70 3h4e h VAL 191 Ca 0.12 -1.25 0.11 0.00 -1.23 0.00 0.00 66.70 64.45 3h4e h VAL 191 Cb 0.06 1.12 -0.08 0.00 -2.13 0.00 0.00 31.29 30.26 3h4e h VAL 191 CO -0.02 0.43 0.34 -0.61 -1.23 0.00 0.00 177.57 176.48 3h4e h GLN 192 N 0.74 0.53 -0.34 5.19 4.15 -1.27 -2.43 115.11 121.69 3h4e h GLN 192 Ca 0.12 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.50 3h4e h GLN 192 Cb 0.68 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.25 3h4e h GLN 192 CO 0.05 0.35 0.00 0.09 -1.93 0.00 0.00 178.83 177.39 3h4e n ASN 193 N -4.91 2.13 -4.80 -0.69 3.02 -0.88 -4.90 115.26 104.22 3h4e n ASN 193 Ca 0.12 -1.91 -0.33 0.00 -0.03 0.00 0.00 54.58 52.43 3h4e n ASN 193 Cb 0.33 -0.22 -0.00 0.00 -0.61 0.00 0.00 39.78 39.28 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 2.78 1.01 5.41 0.00 -0.92 -1.78 121.76 126.70 3h4e s ALA 194 Ca 0.30 0.47 -0.12 0.00 0.00 0.00 0.00 51.96 52.61 3h4e s ALA 194 Cb 0.16 -3.24 0.20 0.00 0.00 0.00 0.00 23.12 20.23 3h4e s ALA 194 CO 0.22 -0.67 1.08 0.54 0.00 0.00 0.00 175.76 176.94 3h4e s ASN 195 N -2.53 2.30 0.12 0.00 2.20 -1.26 -4.59 114.94 111.18 3h4e s ASN 195 Ca 0.65 1.73 -0.23 0.00 -0.94 0.00 0.00 52.86 54.07 3h4e s ASN 195 Cb -0.16 -2.36 -0.05 0.00 -2.00 0.00 0.00 41.25 36.68 3h4e s ASN 195 CO 0.32 -3.41 1.67 -0.65 -2.94 0.00 0.00 177.10 172.09 3h4e h PRO 196 N -2.08 -0.21 -0.02 3.55 0.11 -1.94 0.61 132.00 132.02 3h4e h PRO 196 Ca -0.52 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.64 3h4e h PRO 196 Cb 1.30 0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.41 3h4e h PRO 196 CO 0.49 -0.14 -0.24 -0.44 -0.21 0.00 0.00 178.00 177.46 3h4e h ASP 197 N -0.22 -0.72 -0.49 -2.05 3.32 -1.97 -2.70 116.42 111.59 3h4e h ASP 197 Ca 0.07 0.10 -0.10 0.00 0.02 0.00 0.00 57.03 57.12 3h4e h ASP 197 Cb 0.31 0.30 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 3h4e h ASP 197 CO -0.19 -0.31 -0.07 0.00 -1.72 0.00 0.00 179.24 176.95 3h4e h LYS 199 N 0.86 0.83 -0.10 0.00 3.64 -0.64 0.12 116.57 121.28 3h4e h LYS 199 Ca 0.14 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 3h4e h LYS 199 Cb 0.60 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3h4e h LYS 199 CO 0.04 0.55 -0.24 1.79 -2.27 0.00 0.00 179.45 179.32 3h4e h THR 200 N 0.85 1.40 -0.81 1.00 1.35 -1.39 -1.78 112.91 113.53 3h4e h THR 200 Ca 0.44 -1.56 0.03 0.00 -0.55 0.00 0.00 66.41 64.77 3h4e h THR 200 Cb 0.44 2.17 -0.04 0.00 -1.73 0.00 0.00 68.15 68.99 3h4e h THR 200 CO -0.27 0.45 0.53 0.40 -0.25 0.00 0.00 175.52 176.39 3h4e h ILE 201 N -0.13 1.15 -0.10 6.82 2.04 -1.31 -1.54 117.51 124.43 3h4e h ILE 201 Ca -0.00 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 3h4e h ILE 201 Cb 0.85 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3h4e h ILE 201 CO 0.05 0.19 -0.20 -0.07 0.00 0.00 0.00 178.15 178.11 3h4e h LEU 202 N 1.02 0.36 -2.15 1.44 3.38 -0.75 -2.73 115.31 115.88 3h4e h LEU 202 Ca 0.31 -0.56 0.05 0.00 0.09 0.00 0.00 57.88 57.78 3h4e h LEU 202 Cb -0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3h4e h LEU 202 CO -0.09 0.85 0.15 0.07 0.09 0.00 0.00 178.44 179.52 3h4e h LYS 203 N -0.11 0.00 -0.14 1.13 -0.00 -1.11 -1.89 116.57 114.45 3h4e h LYS 203 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 60.65 60.51 3h4e h LYS 203 Cb 0.79 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.01 3h4e h LYS 203 CO 0.05 0.00 -0.52 0.00 -0.00 0.00 0.00 179.45 178.98 3h4e h ALA 204 N 1.86 0.84 0.00 0.07 0.00 -0.98 -2.87 119.26 118.18 3h4e h ALA 204 Ca 0.08 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3h4e h ALA 204 Cb 0.39 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3h4e h ALA 204 CO -0.00 0.68 0.00 1.28 0.00 0.00 0.00 179.25 181.21 3h4e n LEU 205 N -3.95 0.38 0.00 0.00 4.77 -0.71 -4.98 117.00 112.51 3h4e n LEU 205 Ca -0.02 0.63 0.02 0.00 -0.03 0.00 0.00 56.01 56.60 3h4e n LEU 205 Cb 0.57 -0.61 -0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3h4e n LEU 205 CO 0.45 -0.59 -0.02 0.61 -1.33 0.00 0.00 177.39 176.51 3h4e n GLY 206 N -0.60 -2.15 3.80 -0.72 0.00 -1.08 -4.81 105.19 99.63 3h4e n GLY 206 Ca 0.01 -1.46 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.81 2.55 -0.48 1.61 0.02 -1.26 -4.16 135.00 132.47 3h4e s PRO 207 Ca 0.00 0.89 0.00 0.00 0.02 0.00 0.00 61.00 61.91 3h4e s PRO 207 Cb 0.00 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.57 3h4e s PRO 207 CO 0.00 -1.36 0.00 0.41 -0.33 0.00 0.00 177.00 175.72 3h4e n GLY 208 N -1.89 0.72 3.74 0.52 0.00 -1.26 -5.02 105.19 101.99 3h4e n GLY 208 Ca 0.08 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.17 3.28 0.57 4.61 0.00 -1.26 -5.05 121.76 121.74 3h4e s ALA 209 Ca 0.00 0.55 -0.16 0.00 0.00 0.00 0.00 51.96 52.36 3h4e s ALA 209 Cb 0.00 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 3h4e s ALA 209 CO 0.00 0.04 1.03 0.95 0.00 0.00 0.00 175.76 177.78 3h4e s THR 210 N -0.27 4.08 0.33 0.00 -4.23 -1.26 -4.89 115.64 109.39 3h4e s THR 210 Ca 0.45 0.98 0.05 0.00 -1.18 0.00 0.00 61.69 61.99 3h4e s THR 210 Cb -0.24 -3.51 0.30 0.00 1.34 0.00 0.00 72.50 70.40 3h4e s THR 210 CO 0.30 -0.59 1.88 0.25 -0.54 0.00 0.00 174.62 175.92 3h4e h LEU 211 N 0.57 0.76 -0.41 4.79 5.85 -1.99 -0.95 115.31 123.93 3h4e h LEU 211 Ca -0.47 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.31 3h4e h LEU 211 Cb 1.21 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 3h4e h LEU 211 CO 0.59 0.42 0.22 -0.08 -0.34 0.00 0.00 178.44 179.25 3h4e h GLU 212 N 0.82 0.44 -0.22 1.25 4.81 -1.99 -1.47 114.58 118.22 3h4e h GLU 212 Ca 0.43 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 3h4e h GLU 212 Cb 0.52 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3h4e h GLU 212 CO -0.20 0.29 0.14 0.93 -0.73 0.00 0.00 179.01 179.44 3h4e h GLU 213 N 0.45 0.28 -0.95 1.92 5.08 -1.58 -1.74 114.58 118.03 3h4e h GLU 213 Ca 0.17 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.58 3h4e h GLU 213 Cb 0.05 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.17 3h4e h GLU 213 CO -0.10 0.18 0.61 0.52 -1.00 0.00 0.00 179.01 179.22 3h4e h MET 214 N 0.29 1.08 0.03 2.33 2.86 -1.08 -1.28 114.93 119.16 3h4e h MET 214 Ca 0.08 -0.07 -0.21 0.00 -2.06 0.00 0.00 59.70 57.44 3h4e h MET 214 Cb -0.03 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.38 3h4e h MET 214 CO -0.02 0.72 -0.97 0.52 1.06 0.00 0.00 176.91 178.21 3h4e h MET 215 N 1.11 0.15 -0.38 1.72 2.86 -1.03 -2.63 114.93 116.74 3h4e h MET 215 Ca 0.41 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.82 3h4e h MET 215 Cb 0.16 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 3h4e h MET 215 CO -0.17 1.01 0.12 1.15 1.06 0.00 0.00 176.91 180.08 3h4e h THR 216 N 0.07 1.21 -0.86 2.22 2.02 -1.10 -3.12 112.91 113.35 3h4e h THR 216 Ca -0.05 -0.68 0.07 0.00 0.77 0.00 0.00 66.41 66.52 3h4e h THR 216 Cb 1.65 0.94 -0.06 0.00 -1.74 0.00 0.00 68.15 68.94 3h4e h THR 216 CO 0.14 0.24 0.53 0.00 0.37 0.00 0.00 175.52 176.80 3h4e h ALA 217 N 0.97 1.19 -0.65 6.16 0.00 -1.04 -3.00 119.26 122.89 3h4e h ALA 217 Ca 0.12 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3h4e h ALA 217 Cb 0.24 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 3h4e h ALA 217 CO -0.01 0.26 0.16 0.00 0.00 0.00 0.00 179.25 179.67