#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 2.74 0.33 4.25 1.01 0.06 -0.86 121.20 128.73 3h4e s ILE 2 Ca 0.00 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 59.97 3h4e s ILE 2 Cb 0.00 -2.21 -0.05 0.00 0.01 0.00 0.00 42.46 40.21 3h4e s ILE 2 CO 0.00 0.48 0.09 0.68 0.00 0.00 0.00 174.94 176.19 3h4e s VAL 3 N 1.36 0.83 -0.16 2.92 -7.23 -0.10 -4.81 120.40 113.22 3h4e s VAL 3 Ca 0.05 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.07 3h4e s VAL 3 Cb -0.14 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 3h4e s VAL 3 CO -0.08 0.00 0.35 -1.58 -0.31 0.00 0.00 175.10 173.49 3h4e s GLN 4 N -3.88 4.27 0.00 4.82 0.74 -1.26 -0.06 119.66 124.29 3h4e s GLN 4 Ca 0.34 0.19 0.00 0.00 0.05 0.00 0.00 55.36 55.94 3h4e s GLN 4 Cb 0.07 -3.45 0.00 0.00 1.10 0.00 0.00 33.01 30.73 3h4e s GLN 4 CO 0.15 0.17 0.00 0.27 -0.55 0.00 0.00 175.29 175.33 3h4e n ASN 5 N 3.75 0.00 0.10 6.67 0.23 -0.05 -4.95 115.26 121.01 3h4e n ASN 5 Ca -0.10 -0.61 -0.03 0.00 -0.53 0.00 0.00 54.58 53.31 3h4e n ASN 5 Cb 0.52 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.16 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 0.00 -0.11 -4.53 3.38 -1.98 -3.10 115.31 108.97 3h4e h LEU 6 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 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 0.78 0.00 0.00 0.09 0.00 0.00 178.44 179.31 3h4e n GLN 7 N -3.29 1.07 -1.00 1.13 6.02 -1.26 -4.88 117.38 115.16 3h4e n GLN 7 Ca 0.01 -0.11 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 3h4e n GLN 7 Cb 0.85 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.87 3h4e n GLN 7 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h4e n GLY 8 N 0.76 0.49 3.87 1.08 0.00 -1.17 -5.03 105.19 105.19 3h4e n GLY 8 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.08 3.82 -0.42 1.61 -1.52 -1.26 -4.82 119.66 116.98 3h4e s GLN 9 Ca 0.00 0.29 -0.26 0.00 -1.95 0.00 0.00 55.36 53.44 3h4e s GLN 9 Cb 0.00 -2.69 0.02 0.00 -0.22 0.00 0.00 33.01 30.12 3h4e s GLN 9 CO 0.00 0.34 0.93 -1.64 -0.25 0.00 0.00 175.29 174.67 3h4e s MET 10 N -2.70 3.70 0.25 2.91 -1.94 -1.26 -0.87 119.30 119.38 3h4e s MET 10 Ca 0.46 0.38 0.10 0.00 -1.71 0.00 0.00 55.69 54.92 3h4e s MET 10 Cb -0.12 -3.86 -0.04 0.00 2.01 0.00 0.00 34.83 32.82 3h4e s MET 10 CO 0.21 -1.09 -0.06 0.14 -0.01 0.00 0.00 175.02 174.21 3h4e s VAL 11 N 3.64 3.24 0.14 -6.03 -7.23 0.92 -4.87 120.40 110.21 3h4e s VAL 11 Ca 0.38 -1.92 -0.27 0.00 -1.81 0.00 0.00 61.98 58.36 3h4e s VAL 11 Cb -0.11 -2.70 -0.07 0.00 0.56 0.00 0.00 36.38 34.07 3h4e s VAL 11 CO 0.23 -0.31 0.84 -2.28 -0.31 0.00 0.00 175.10 173.27 3h4e s HIS 12 N -2.19 3.86 0.01 2.82 2.46 -1.26 -0.93 115.29 120.06 3h4e s HIS 12 Ca 0.29 1.67 0.03 0.00 0.47 0.00 0.00 55.06 57.53 3h4e s HIS 12 Cb -0.07 -2.87 -0.01 0.00 -0.13 0.00 0.00 32.58 29.50 3h4e s HIS 12 CO 0.18 0.39 -0.09 -1.14 -2.47 0.00 0.00 174.74 171.60 3h4e s GLN 13 N -0.66 0.70 0.40 2.88 0.74 -0.04 -4.96 119.66 118.73 3h4e s GLN 13 Ca 0.39 -0.42 -0.27 0.00 0.05 0.00 0.00 55.36 55.11 3h4e s GLN 13 Cb -0.23 -0.65 -0.09 0.00 1.10 0.00 0.00 33.01 33.13 3h4e s GLN 13 CO 0.27 0.17 1.39 0.00 -0.55 0.00 0.00 175.29 176.57 3h4e s ILE 15 N -1.19 2.37 0.17 0.00 2.07 -1.26 -4.61 121.20 118.75 3h4e s ILE 15 Ca 0.56 0.36 -0.11 0.00 -1.41 0.00 0.00 60.65 60.05 3h4e s ILE 15 Cb -0.42 -3.23 -0.07 0.00 0.13 0.00 0.00 42.46 38.87 3h4e s ILE 15 CO 0.55 0.08 0.51 -0.94 -1.91 0.00 0.00 174.94 173.23 3h4e s SER 16 N -0.17 6.68 0.36 4.50 1.04 -1.26 -4.96 113.70 119.89 3h4e s SER 16 Ca 0.53 0.92 0.13 0.00 0.48 0.00 0.00 55.95 58.01 3h4e s SER 16 Cb -0.44 -2.23 0.95 0.00 0.10 0.00 0.00 66.02 64.41 3h4e s SER 16 CO 0.56 0.03 1.79 -0.65 0.98 0.00 0.00 173.24 175.95 3h4e h PRO 17 N 3.08 0.53 -0.24 4.02 0.11 -1.99 -0.53 132.00 136.98 3h4e h PRO 17 Ca -0.48 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 3h4e h PRO 17 Cb 1.18 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3h4e h PRO 17 CO 0.68 0.35 0.02 -0.09 -0.21 0.00 0.00 178.00 178.75 3h4e h ARG 18 N 0.55 0.41 -0.16 1.05 2.43 -1.99 -1.44 114.38 115.23 3h4e h ARG 18 Ca 0.56 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.61 3h4e h ARG 18 Cb 1.19 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 3h4e h ARG 18 CO -0.31 0.57 0.09 1.15 -1.51 0.00 0.00 179.97 179.95 3h4e h THR 19 N 0.20 1.11 -0.21 0.20 2.02 -1.54 -0.60 112.91 114.09 3h4e h THR 19 Ca 0.07 -0.30 0.06 0.00 0.77 0.00 0.00 66.41 67.00 3h4e h THR 19 Cb 0.36 1.01 -0.06 0.00 -1.74 0.00 0.00 68.15 67.72 3h4e h THR 19 CO 0.01 0.10 -0.22 -0.07 0.37 0.00 0.00 175.52 175.71 3h4e h LEU 20 N 0.15 -0.71 -0.45 2.58 3.38 -1.20 -2.43 115.31 116.64 3h4e h LEU 20 Ca 0.06 0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 3h4e h LEU 20 Cb 0.09 0.33 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3h4e h LEU 20 CO -0.01 -0.26 0.04 -1.13 0.09 0.00 0.00 178.44 177.16 3h4e h ASN 21 N -0.24 0.75 -0.70 -0.43 -1.24 -1.10 -2.37 115.58 110.25 3h4e h ASN 21 Ca 0.13 -0.29 0.08 0.00 0.71 0.00 0.00 56.30 56.93 3h4e h ASN 21 Cb 0.43 -0.20 -0.06 0.00 0.73 0.00 0.00 38.32 39.22 3h4e h ASN 21 CO -0.35 0.85 0.37 0.00 -1.29 0.00 0.00 177.43 177.01 3h4e h ALA 22 N 0.93 0.96 -0.24 1.57 0.00 -0.96 -0.77 119.26 120.74 3h4e h ALA 22 Ca 0.13 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3h4e h ALA 22 Cb 0.44 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3h4e h ALA 22 CO 0.02 0.02 -0.14 2.35 0.00 0.00 0.00 179.25 181.49 3h4e h TRP 23 N 0.66 0.60 -0.78 0.00 2.91 -1.28 -1.48 115.95 116.59 3h4e h TRP 23 Ca 0.33 -0.16 0.01 0.00 1.13 0.00 0.00 58.89 60.21 3h4e h TRP 23 Cb 0.28 -0.14 -0.04 0.00 -0.51 0.00 0.00 29.16 28.75 3h4e h TRP 23 CO -0.09 0.80 0.51 0.28 -1.03 0.00 0.00 178.44 178.91 3h4e h VAL 24 N 0.23 1.18 -0.48 2.65 2.07 -1.18 -2.66 116.25 118.06 3h4e h VAL 24 Ca 0.05 -0.36 -0.13 0.00 0.82 0.00 0.00 66.70 67.08 3h4e h VAL 24 Cb 0.66 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3h4e h VAL 24 CO 0.04 0.19 -0.22 0.11 0.02 0.00 0.00 177.57 177.71 3h4e h LYS 25 N 1.04 1.00 -0.58 1.57 1.79 -1.06 -1.91 116.57 118.42 3h4e h LYS 25 Ca 0.29 -0.43 0.03 0.00 -2.18 0.00 0.00 60.65 58.36 3h4e h LYS 25 Cb -0.10 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.48 3h4e h LYS 25 CO -0.07 1.11 0.34 0.28 -1.08 0.00 0.00 179.45 180.03 3h4e h VAL 26 N 0.86 1.05 -0.51 0.50 2.07 -1.06 0.11 116.25 119.26 3h4e h VAL 26 Ca 0.11 -0.23 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 3h4e h VAL 26 Cb 0.80 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3h4e h VAL 26 CO 0.07 0.12 0.03 0.58 0.02 0.00 0.00 177.57 178.39 3h4e h VAL 27 N 0.67 1.26 -0.67 2.57 2.07 -1.36 0.17 116.25 120.97 3h4e h VAL 27 Ca 0.24 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 3h4e h VAL 27 Cb 0.05 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3h4e h VAL 27 CO -0.11 0.37 0.34 -0.33 0.02 0.00 0.00 177.57 177.86 3h4e h GLU 28 N 0.76 0.94 0.06 1.57 5.08 -0.83 -1.52 114.58 120.63 3h4e h GLU 28 Ca 0.15 -0.11 -0.33 0.00 -1.00 0.00 0.00 59.36 58.07 3h4e h GLU 28 Cb 0.49 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 3h4e h GLU 28 CO 0.02 0.71 -1.86 0.39 -1.00 0.00 0.00 179.01 177.27 3h4e n GLU 29 N -4.36 0.69 -0.00 2.33 1.02 0.34 -4.51 120.64 116.15 3h4e n GLU 29 Ca 0.06 0.27 0.01 0.00 -0.02 0.00 0.00 57.16 57.49 3h4e n GLU 29 Cb 0.12 -1.75 0.01 0.00 -0.02 0.00 0.00 31.44 29.80 3h4e n GLU 29 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3h4e n LYS 30 N -3.23 -0.32 0.00 3.49 4.76 0.58 -5.06 118.16 118.38 3h4e n LYS 30 Ca -0.24 -0.74 0.00 0.00 -2.87 0.00 0.00 58.31 54.46 3h4e n LYS 30 Cb 1.05 -1.05 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 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 0.11 0.00 -1.60 7.82 0.00 -0.57 -1.43 120.51 124.82 3h4e n ALA 31 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.44 3h4e n ALA 31 Cb 0.08 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.72 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 12.87 0.71 -1.65 0.00 3.72 -1.26 -4.73 117.46 127.13 3h4e n PHE 32 Ca 0.00 -1.65 -0.40 0.00 -0.05 0.00 0.00 57.45 55.35 3h4e n PHE 32 Cb 0.00 -0.36 0.02 0.00 -0.94 0.00 0.00 39.48 38.20 3h4e n PHE 32 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3h4e n SER 33 N -1.07 1.64 -0.26 4.37 2.88 -0.52 -4.55 113.62 116.11 3h4e n SER 33 Ca 0.27 1.01 0.15 0.00 -1.33 0.00 0.00 58.87 58.97 3h4e n SER 33 Cb 0.83 -1.42 0.44 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 1.50 0.55 0.00 -1.46 0.11 -1.90 -1.68 132.00 129.12 3h4e h PRO 34 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3h4e h PRO 34 Cb 1.33 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3h4e h PRO 34 CO 0.57 0.36 0.00 -0.85 -0.21 0.00 0.00 178.00 177.87 3h4e n GLU 35 N -4.56 0.09 0.21 1.05 0.00 -1.26 -2.16 120.64 114.01 3h4e n GLU 35 Ca 0.18 0.20 0.06 0.00 0.00 0.00 0.00 57.16 57.61 3h4e n GLU 35 Cb 0.58 -1.50 0.48 0.00 0.00 0.00 0.00 31.44 31.00 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 1.02 0.16 3.84 2.07 -1.65 -3.16 116.25 118.54 3h4e h VAL 36 Ca 0.00 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 3h4e h VAL 36 Cb 0.22 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3h4e h VAL 36 CO 0.00 0.26 -0.08 0.40 0.02 0.00 0.00 177.57 178.17 3h4e h ILE 37 N 0.00 0.93 -0.89 4.57 2.04 -1.64 -0.67 117.51 121.85 3h4e h ILE 37 Ca -0.00 -1.01 0.20 0.00 1.00 0.00 0.00 64.86 65.04 3h4e h ILE 37 Cb 0.52 1.50 -0.07 0.00 -0.74 0.00 0.00 36.82 38.03 3h4e h ILE 37 CO 0.03 0.21 0.59 -0.65 0.00 0.00 0.00 178.15 178.34 3h4e h PRO 38 N -0.76 0.40 -0.30 2.37 0.11 -1.75 -0.50 132.00 131.56 3h4e h PRO 38 Ca -0.02 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.94 3h4e h PRO 38 Cb 0.52 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 3h4e h PRO 38 CO 0.04 0.26 -0.29 1.98 -0.21 0.00 0.00 178.00 179.78 3h4e h MET 39 N 0.41 0.73 0.16 1.05 4.05 -1.49 -2.11 114.93 117.73 3h4e h MET 39 Ca 0.46 -0.38 -0.01 0.00 -0.28 0.00 0.00 59.70 59.49 3h4e h MET 39 Cb 1.14 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.95 3h4e h MET 39 CO -0.17 1.00 -0.08 0.35 0.23 0.00 0.00 176.91 178.25 3h4e h PHE 40 N 0.49 -0.20 -0.74 1.39 3.57 0.15 -0.77 116.94 120.84 3h4e h PHE 40 Ca 0.05 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.67 3h4e h PHE 40 Cb 0.86 0.06 -0.09 0.00 2.79 0.00 0.00 35.95 39.58 3h4e h PHE 40 CO 0.07 -0.11 0.32 1.03 -2.23 0.00 0.00 178.31 177.39 3h4e h SER 41 N -0.22 0.35 -0.19 0.41 0.87 -1.10 -1.59 113.55 112.08 3h4e h SER 41 Ca -0.02 0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.57 3h4e h SER 41 Cb 0.17 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.18 3h4e h SER 41 CO 0.04 0.16 -0.10 0.00 -0.53 0.00 0.00 176.83 176.39 3h4e h ALA 42 N 1.51 0.27 0.00 6.23 0.00 -1.22 -2.98 119.26 123.06 3h4e h ALA 42 Ca 0.40 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3h4e h ALA 42 Cb 0.55 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3h4e h ALA 42 CO -0.36 0.10 0.00 -0.07 0.00 0.00 0.00 179.25 178.93 3h4e h LEU 43 N 0.09 0.00 -3.22 0.00 3.38 -0.70 -2.35 115.31 112.52 3h4e h LEU 43 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3h4e h LEU 43 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3h4e h LEU 43 CO 0.03 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.02 3h4e n SER 44 N -2.47 3.85 -4.68 -0.43 3.41 -0.64 -4.99 113.62 107.67 3h4e n SER 44 Ca -0.01 -2.85 -0.47 0.00 -0.26 0.00 0.00 58.87 55.28 3h4e n SER 44 Cb 0.12 -0.51 -0.04 0.00 -0.26 0.00 0.00 64.21 63.52 3h4e n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h4e n GLY 46 N 3.98 0.73 3.77 0.00 0.00 -1.26 -4.83 105.19 107.57 3h4e n GLY 46 Ca 0.20 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.10 3.28 0.58 4.61 0.00 -0.31 -0.76 121.76 127.07 3h4e s ALA 47 Ca 0.00 0.88 -0.09 0.00 0.00 0.00 0.00 51.96 52.75 3h4e s ALA 47 Cb 0.00 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 3h4e s ALA 47 CO 0.00 -0.27 0.95 0.95 0.00 0.00 0.00 175.76 177.38 3h4e s THR 48 N -1.34 4.51 0.35 0.00 -4.23 -1.26 -4.40 115.64 109.28 3h4e s THR 48 Ca 0.51 0.53 0.09 0.00 -1.18 0.00 0.00 61.69 61.63 3h4e s THR 48 Cb -0.30 -3.78 0.32 0.00 1.34 0.00 0.00 72.50 70.09 3h4e s THR 48 CO 0.38 -0.92 1.87 -0.65 -0.54 0.00 0.00 174.62 174.75 3h4e h PRO 49 N -0.18 0.68 -0.55 3.99 0.11 -1.85 0.31 132.00 134.52 3h4e h PRO 49 Ca -0.45 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.65 3h4e h PRO 49 Cb 1.21 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 3h4e h PRO 49 CO 0.62 0.45 0.31 0.37 -0.21 0.00 0.00 178.00 179.54 3h4e h GLN 50 N 0.70 0.59 -0.63 1.05 4.15 -1.90 -1.46 115.11 117.62 3h4e h GLN 50 Ca 0.45 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.79 3h4e h GLN 50 Cb 0.72 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.25 3h4e h GLN 50 CO -0.21 0.39 0.20 -0.44 -1.93 0.00 0.00 178.83 176.85 3h4e h ASP 51 N 0.61 0.91 -0.39 -0.69 3.32 -1.37 -1.39 116.42 117.41 3h4e h ASP 51 Ca 0.23 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 57.09 3h4e h ASP 51 Cb 0.07 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 3h4e h ASP 51 CO -0.12 0.87 0.24 -0.07 -1.72 0.00 0.00 179.24 178.44 3h4e h LEU 52 N 0.90 0.40 -1.13 1.55 3.38 -0.77 -1.42 115.31 118.23 3h4e h LEU 52 Ca 0.20 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 3h4e h LEU 52 Cb 0.28 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3h4e h LEU 52 CO -0.01 0.29 0.11 0.78 0.09 0.00 0.00 178.44 179.70 3h4e h ASN 53 N 0.49 0.67 -0.62 -0.43 2.35 -0.97 -2.03 115.58 115.05 3h4e h ASN 53 Ca 0.15 -0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3h4e h ASN 53 Cb -0.02 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 3h4e h ASN 53 CO -0.06 0.67 0.41 0.74 -1.65 0.00 0.00 177.43 177.54 3h4e h THR 54 N 0.70 1.15 -0.18 2.81 2.02 -0.46 0.62 112.91 119.58 3h4e h THR 54 Ca 0.16 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 3h4e h THR 54 Cb 0.27 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3h4e h THR 54 CO -0.00 0.15 0.05 0.24 0.37 0.00 0.00 175.52 176.33 3h4e h MET 55 N 0.83 0.28 0.03 6.66 2.86 -0.73 -2.14 114.93 122.71 3h4e h MET 55 Ca 0.23 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3h4e h MET 55 Cb -0.09 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.54 3h4e h MET 55 CO -0.05 0.40 -0.01 -0.07 1.06 0.00 0.00 176.91 178.24 3h4e h LEU 56 N 0.10 -0.03 -1.31 1.22 3.38 -1.23 -3.08 115.31 114.36 3h4e h LEU 56 Ca 0.06 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h4e h LEU 56 Cb 0.25 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3h4e h LEU 56 CO -0.00 0.03 0.00 0.78 0.09 0.00 0.00 178.44 179.34 3h4e h ASN 57 N -0.09 0.00 1.22 -0.43 2.35 -0.76 -2.34 115.58 115.53 3h4e h ASN 57 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h4e h ASN 57 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3h4e h ASN 57 CO 0.01 0.00 -0.03 0.35 -1.65 0.00 0.00 177.43 176.11 3h4e n THR 58 N -2.60 0.30 -2.17 2.81 -2.24 -0.82 -4.75 114.28 104.82 3h4e n THR 58 Ca 0.01 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 3h4e n THR 58 Cb 0.21 -0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 67.90 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 -3.05 3.63 -0.16 2.28 1.01 -0.88 -4.95 120.40 118.28 3h4e s VAL 59 Ca 0.12 0.99 -0.21 0.00 0.00 0.00 0.00 61.98 62.88 3h4e s VAL 59 Cb 0.16 -3.63 -0.18 0.00 0.00 0.00 0.00 36.38 32.72 3h4e s VAL 59 CO 0.57 -0.02 0.37 1.23 0.00 0.00 0.00 175.10 177.26 3h4e h GLY 60 N 8.71 0.00 0.00 4.51 0.00 -1.89 -3.48 103.07 110.92 3h4e h GLY 60 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3h4e h GLY 60 CO 0.92 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.07 3h4e n GLY 61 N 1.57 0.69 2.71 4.60 0.00 -1.26 -4.65 105.19 108.86 3h4e n GLY 61 Ca -0.16 -1.68 -0.14 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.59 0.29 1.61 -0.00 -1.26 -4.83 115.22 109.43 3h4e n HIS 62 Ca 0.00 0.14 0.14 0.00 -0.00 0.00 0.00 57.72 57.99 3h4e n HIS 62 Cb 0.00 -2.61 0.86 0.00 -0.00 0.00 0.00 29.99 28.24 3h4e n HIS 62 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 3h4e h GLN 63 N -0.28 0.00 0.25 -0.41 1.08 -1.95 -0.50 115.11 113.31 3h4e h GLN 63 Ca -0.30 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.89 3h4e h GLN 63 Cb 1.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 3h4e h GLN 63 CO 0.36 0.02 -0.13 0.00 -0.95 0.00 0.00 178.83 178.13 3h4e h ALA 64 N 1.98 -0.35 -0.42 3.87 0.00 -1.99 -0.21 119.26 122.14 3h4e h ALA 64 Ca -0.00 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3h4e h ALA 64 Cb 0.04 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3h4e h ALA 64 CO 0.00 -0.70 0.21 0.00 0.00 0.00 0.00 179.25 178.77 3h4e h ALA 65 N 0.40 0.52 -0.28 0.00 0.00 -1.52 -1.08 119.26 117.30 3h4e h ALA 65 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3h4e h ALA 65 Cb 0.28 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3h4e h ALA 65 CO 0.05 -0.14 0.18 0.52 0.00 0.00 0.00 179.25 179.86 3h4e h MET 66 N 0.43 0.37 -0.01 0.00 2.07 -1.08 -0.24 114.93 116.47 3h4e h MET 66 Ca 0.18 -0.02 -0.24 0.00 -2.07 0.00 0.00 59.70 57.54 3h4e h MET 66 Cb 0.08 -0.08 0.01 0.00 -1.87 0.00 0.00 31.60 29.73 3h4e h MET 66 CO -0.12 0.25 -0.96 0.37 1.07 0.00 0.00 176.91 177.52 3h4e h GLN 67 N 0.38 0.54 -0.91 1.72 5.75 -0.48 -2.42 115.11 119.69 3h4e h GLN 67 Ca 0.10 -0.56 -0.01 0.00 -0.15 0.00 0.00 58.65 58.03 3h4e h GLN 67 Cb -0.03 0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.63 3h4e h GLN 67 CO -0.02 1.19 0.52 0.52 -2.65 0.00 0.00 178.83 178.38 3h4e h MET 68 N 0.31 1.26 -0.62 1.69 2.86 -0.42 -2.82 114.93 117.18 3h4e h MET 68 Ca -0.09 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.39 3h4e h MET 68 Cb 1.60 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 32.98 3h4e h MET 68 CO 0.18 0.91 0.32 1.25 1.06 0.00 0.00 176.91 180.62 3h4e h LEU 69 N 1.27 0.80 -0.54 1.22 5.85 -0.95 -1.54 115.31 121.41 3h4e h LEU 69 Ca 0.32 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.99 3h4e h LEU 69 Cb -0.00 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 3h4e h LEU 69 CO -0.05 0.68 0.25 0.11 -0.34 0.00 0.00 178.44 179.09 3h4e h LYS 70 N 0.85 0.46 -0.31 1.25 1.57 -1.22 -0.61 116.57 118.56 3h4e h LYS 70 Ca 0.22 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3h4e h LYS 70 Cb 0.08 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 3h4e h LYS 70 CO -0.03 0.31 0.19 0.93 -0.57 0.00 0.00 179.45 180.28 3h4e h GLU 71 N 0.48 0.43 -0.89 3.15 5.08 -1.18 0.01 114.58 121.65 3h4e h GLU 71 Ca 0.25 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.62 3h4e h GLU 71 Cb 0.21 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.31 3h4e h GLU 71 CO -0.20 0.32 0.57 1.15 -1.00 0.00 0.00 179.01 179.85 3h4e h THR 72 N 0.41 1.12 -0.44 1.13 2.02 -0.92 -0.95 112.91 115.26 3h4e h THR 72 Ca 0.11 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 3h4e h THR 72 Cb 0.00 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.33 3h4e h THR 72 CO -0.02 0.20 0.20 0.40 0.37 0.00 0.00 175.52 176.67 3h4e h ILE 73 N 1.08 1.19 -0.71 3.11 2.04 -0.64 -1.94 117.51 121.64 3h4e h ILE 73 Ca 0.36 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 3h4e h ILE 73 Cb 0.06 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 3h4e h ILE 73 CO -0.14 0.21 0.43 0.78 0.00 0.00 0.00 178.15 179.44 3h4e h ASN 74 N 0.57 0.85 -0.22 1.72 2.35 -0.49 -0.64 115.58 119.72 3h4e h ASN 74 Ca 0.15 -0.06 0.04 0.00 -0.55 0.00 0.00 56.30 55.88 3h4e h ASN 74 Cb 0.14 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 3h4e h ASN 74 CO -0.02 0.66 -0.02 -0.33 -1.65 0.00 0.00 177.43 176.07 3h4e h GLU 75 N 0.97 0.05 -0.53 0.81 5.08 -0.95 -0.63 114.58 119.37 3h4e h GLU 75 Ca 0.26 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.55 3h4e h GLU 75 Cb -0.04 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3h4e h GLU 75 CO -0.05 0.03 0.08 0.93 -1.00 0.00 0.00 179.01 179.00 3h4e h GLU 76 N 0.05 0.84 -0.28 2.33 4.39 -1.01 -0.53 114.58 120.36 3h4e h GLU 76 Ca 0.10 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 3h4e h GLU 76 Cb 0.14 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3h4e h GLU 76 CO -0.19 0.79 0.13 0.00 -1.16 0.00 0.00 179.01 178.57 3h4e h ALA 77 N 1.29 0.36 -0.58 3.43 0.00 -0.79 -0.18 119.26 122.80 3h4e h ALA 77 Ca 0.17 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3h4e h ALA 77 Cb 0.36 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3h4e h ALA 77 CO 0.01 -0.07 0.36 0.00 0.00 0.00 0.00 179.25 179.55 3h4e h ALA 78 N 0.98 0.74 -0.64 0.00 0.00 -0.87 -0.76 119.26 118.71 3h4e h ALA 78 Ca 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3h4e h ALA 78 Cb 0.14 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3h4e h ALA 78 CO -0.01 0.20 0.34 1.49 0.00 0.00 0.00 179.25 181.27 3h4e h GLU 79 N 0.78 0.88 -0.24 0.00 4.57 -0.90 -0.48 114.58 119.19 3h4e h GLU 79 Ca 0.21 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 3h4e h GLU 79 Cb -0.04 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.37 3h4e h GLU 79 CO -0.04 0.66 0.07 2.35 -1.18 0.00 0.00 179.01 180.87 3h4e h TRP 80 N 0.89 0.39 -0.79 0.92 2.91 -0.54 -2.00 115.95 117.73 3h4e h TRP 80 Ca 0.23 -0.04 0.01 0.00 1.13 0.00 0.00 58.89 60.21 3h4e h TRP 80 Cb 0.04 -0.11 -0.04 0.00 -0.51 0.00 0.00 29.16 28.54 3h4e h TRP 80 CO 0.01 0.45 0.52 -0.44 -1.03 0.00 0.00 178.44 177.94 3h4e h ASP 81 N 0.22 0.90 -0.69 2.65 3.32 -0.71 0.37 116.42 122.48 3h4e h ASP 81 Ca 0.08 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3h4e h ASP 81 Cb 0.24 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 3h4e h ASP 81 CO -0.00 0.65 0.39 -0.09 -1.72 0.00 0.00 179.24 178.47 3h4e h ARG 82 N 1.06 0.95 0.00 3.56 2.43 -0.79 -2.84 114.38 118.76 3h4e h ARG 82 Ca 0.29 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3h4e h ARG 82 Cb -0.12 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.24 3h4e h ARG 82 CO -0.06 0.70 -0.57 1.28 -1.51 0.00 0.00 179.97 179.81 3h4e n LEU 83 N -4.52 0.64 -3.64 3.80 4.77 -0.78 -4.48 117.00 112.80 3h4e n LEU 83 Ca 0.06 0.21 -0.28 0.00 -0.03 0.00 0.00 56.01 55.97 3h4e n LEU 83 Cb 0.08 -0.21 -0.11 0.00 -2.33 0.00 0.00 43.42 40.85 3h4e n LEU 83 CO 0.37 -0.03 -0.20 -1.00 -1.33 0.00 0.00 177.39 175.20 3h4e s HIS 84 N -3.13 2.13 -1.11 -1.77 3.76 0.12 -5.03 115.29 110.26 3h4e s HIS 84 Ca 0.07 -2.68 -0.23 0.00 -0.15 0.00 0.00 55.06 52.08 3h4e s HIS 84 Cb 0.14 -1.74 -0.04 0.00 1.11 0.00 0.00 32.58 32.06 3h4e s HIS 84 CO 0.71 -0.72 1.86 -2.14 -0.85 0.00 0.00 174.74 173.60 3h4e s PRO 85 N -0.39 2.84 -0.32 8.40 0.02 -1.21 -4.57 135.00 139.77 3h4e s PRO 85 Ca 0.27 -1.04 -0.44 0.00 0.02 0.00 0.00 61.00 59.80 3h4e s PRO 85 Cb -0.05 -5.25 -0.20 0.00 0.02 0.00 0.00 34.50 29.02 3h4e s PRO 85 CO -0.14 -3.39 1.44 0.28 -0.33 0.00 0.00 177.00 174.86 3h4e n VAL 86 N 7.53 0.02 -2.69 3.83 0.31 -1.26 -4.83 118.33 121.24 3h4e n VAL 86 Ca 0.43 -0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.35 3h4e n VAL 86 Cb 0.47 -0.40 -0.05 0.00 -0.91 0.00 0.00 33.84 32.95 3h4e n VAL 86 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 3h4e s HIS 87 N 2.06 3.82 0.26 3.52 -3.43 -1.26 -5.01 115.29 115.24 3h4e s HIS 87 Ca 1.00 1.80 -0.29 0.00 -0.80 0.00 0.00 55.06 56.76 3h4e s HIS 87 Cb -1.39 -3.08 -0.09 0.00 -1.43 0.00 0.00 32.58 26.59 3h4e s HIS 87 CO 0.73 0.12 1.25 0.00 -2.00 0.00 0.00 174.74 174.83 3h4e s ALA 88 N -0.37 3.48 0.00 -1.38 0.00 -1.26 -4.94 121.76 117.29 3h4e s ALA 88 Ca 0.46 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.51 3h4e s ALA 88 Cb -0.25 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.43 3h4e s ALA 88 CO 0.31 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 176.02 3h4e n GLY 89 N 1.55 -0.30 3.85 0.00 0.00 -1.26 -5.12 105.19 103.92 3h4e n GLY 89 Ca 0.02 -1.70 -0.35 0.00 0.00 0.00 0.00 46.02 43.99 3h4e n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h4e s PRO 90 N -1.55 3.90 -0.16 1.61 0.05 -1.26 -5.06 135.00 132.52 3h4e s PRO 90 Ca 0.00 0.37 -0.28 0.00 0.05 0.00 0.00 61.00 61.14 3h4e s PRO 90 Cb 0.00 -2.95 -0.01 0.00 0.05 0.00 0.00 34.50 31.59 3h4e s PRO 90 CO 0.00 0.51 0.96 0.42 0.05 0.00 0.00 177.00 178.94 3h4e s ILE 91 N -1.45 4.78 0.63 0.56 1.09 -1.26 -5.01 121.20 120.54 3h4e s ILE 91 Ca 0.36 1.91 -0.17 0.00 -1.10 0.00 0.00 60.65 61.65 3h4e s ILE 91 Cb -0.15 -4.26 -0.08 0.00 -1.06 0.00 0.00 42.46 36.92 3h4e s ILE 91 CO 0.19 -0.05 0.45 0.00 -0.10 0.00 0.00 174.94 175.43 3h4e n ALA 92 N 5.50 -1.50 -1.84 9.38 0.00 -1.26 -4.85 120.51 125.93 3h4e n ALA 92 Ca 0.08 -0.11 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 3h4e n ALA 92 Cb 0.48 -1.79 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 3h4e n ALA 92 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3h4e s PRO 93 N -2.23 4.18 -1.00 0.00 0.02 -1.26 -2.17 135.00 132.54 3h4e s PRO 93 Ca 0.66 2.46 -0.02 0.00 0.02 0.00 0.00 61.00 64.12 3h4e s PRO 93 Cb -0.41 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.00 3h4e s PRO 93 CO 0.57 -0.63 0.20 0.41 -0.33 0.00 0.00 177.00 177.22 3h4e n GLY 94 N 3.42 -0.09 3.25 0.52 0.00 -1.26 -5.03 105.19 106.00 3h4e n GLY 94 Ca 0.13 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 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 -4.96 1.27 0.29 1.61 -0.21 -0.92 -5.12 119.66 111.62 3h4e s GLN 95 Ca 0.10 -1.61 0.10 0.00 0.02 0.00 0.00 55.36 53.97 3h4e s GLN 95 Cb -0.04 0.30 -0.05 0.00 1.00 0.00 0.00 33.01 34.22 3h4e s GLN 95 CO 0.13 -0.43 -0.04 -1.64 -2.12 0.00 0.00 175.29 171.18 3h4e s MET 96 N -4.10 2.10 0.27 2.91 -1.94 -1.26 -4.77 119.30 112.51 3h4e s MET 96 Ca 0.37 -1.58 -0.30 0.00 -1.71 0.00 0.00 55.69 52.48 3h4e s MET 96 Cb 0.06 -2.02 -0.10 0.00 2.01 0.00 0.00 34.83 34.78 3h4e s MET 96 CO 0.12 0.29 1.33 -0.98 -0.01 0.00 0.00 175.02 175.78 3h4e s ARG 97 N -3.65 4.36 0.44 2.03 1.70 -1.26 -4.94 118.95 117.63 3h4e s ARG 97 Ca 0.32 2.16 -0.25 0.00 -0.47 0.00 0.00 55.73 57.50 3h4e s ARG 97 Cb -0.04 -3.13 -0.09 0.00 -0.57 0.00 0.00 34.95 31.12 3h4e s ARG 97 CO 0.19 -0.24 1.26 0.39 -1.08 0.00 0.00 175.30 175.81 3h4e n GLU 98 N 1.79 1.84 -3.03 3.89 1.02 -1.26 -4.97 120.64 119.92 3h4e n GLU 98 Ca 0.04 0.66 -0.40 0.00 -0.02 0.00 0.00 57.16 57.44 3h4e n GLU 98 Cb 0.42 -2.38 -0.05 0.00 -0.02 0.00 0.00 31.44 29.40 3h4e n GLU 98 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3h4e s PRO 99 N -2.30 4.45 0.83 3.49 0.05 -1.26 -5.01 135.00 135.26 3h4e s PRO 99 Ca 0.63 0.97 -0.12 0.00 0.05 0.00 0.00 61.00 62.52 3h4e s PRO 99 Cb -0.49 -3.39 0.11 0.00 0.05 0.00 0.00 34.50 30.78 3h4e s PRO 99 CO 0.57 0.22 1.19 -0.98 0.05 0.00 0.00 177.00 178.05 3h4e s ARG 100 N 0.20 1.65 0.20 4.56 3.03 -1.26 -4.91 118.95 122.42 3h4e s ARG 100 Ca 0.37 -0.08 -0.11 0.00 2.03 0.00 0.00 55.73 57.94 3h4e s ARG 100 Cb -0.19 -1.96 0.18 0.00 -1.03 0.00 0.00 34.95 31.95 3h4e s ARG 100 CO 0.21 -1.76 1.81 0.78 -1.13 0.00 0.00 175.30 175.21 3h4e h GLY 101 N -1.14 0.89 2.00 3.88 0.00 -1.92 -1.15 103.07 105.63 3h4e h GLY 101 Ca -0.45 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 46.62 3h4e h GLY 101 CO 0.58 0.18 0.00 -1.14 0.00 0.00 0.00 176.54 176.16 3h4e n SER 102 N -4.78 0.53 0.02 0.19 3.41 -1.26 -2.33 113.62 109.40 3h4e n SER 102 Ca 0.07 0.63 -0.18 0.00 -0.26 0.00 0.00 58.87 59.12 3h4e n SER 102 Cb 0.13 -0.74 -0.12 0.00 -0.26 0.00 0.00 64.21 63.22 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 -0.01 4.04 3.32 -1.55 -0.73 116.42 122.03 3h4e h ASP 103 Ca 0.00 -0.81 -0.03 0.00 0.02 0.00 0.00 57.03 56.21 3h4e h ASP 103 Cb 0.37 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3h4e h ASP 103 CO 0.00 1.28 -0.06 0.40 -1.72 0.00 0.00 179.24 179.14 3h4e h ILE 104 N -0.15 1.13 -0.11 0.35 2.04 -1.19 -1.73 117.51 117.85 3h4e h ILE 104 Ca -0.10 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.24 3h4e h ILE 104 Cb 1.41 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 3h4e h ILE 104 CO 0.13 0.17 0.00 0.00 0.00 0.00 0.00 178.15 178.45 3h4e n ALA 105 N -2.50 2.55 -1.02 1.87 0.00 -0.99 -4.62 120.51 115.80 3h4e n ALA 105 Ca -0.01 -0.44 -0.01 0.00 0.00 0.00 0.00 53.44 52.98 3h4e n ALA 105 Cb 0.20 -1.15 -0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 1.09 0.43 0.13 0.00 0.00 -0.65 -4.89 105.19 101.31 3h4e n GLY 106 Ca 0.17 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 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 1.19 0.00 2.61 2.02 -1.39 -3.38 112.91 113.95 3h4e h THR 107 Ca -0.01 -2.72 0.00 0.00 0.77 0.00 0.00 66.41 64.44 3h4e h THR 107 Cb 0.26 2.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.56 3h4e h THR 107 CO 0.02 0.84 -0.01 0.35 0.37 0.00 0.00 175.52 177.09 3h4e n THR 108 N -3.60 1.23 -4.42 3.16 -2.24 -0.76 -5.02 114.28 102.64 3h4e n THR 108 Ca -0.18 -1.36 -0.25 0.00 -2.27 0.00 0.00 64.05 59.99 3h4e n THR 108 Cb 1.07 0.27 -0.10 0.00 -2.10 0.00 0.00 70.33 69.47 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 -1.60 3.74 0.49 3.42 1.04 -1.26 -4.85 113.70 114.68 3h4e s SER 109 Ca 0.11 -0.90 0.01 0.00 0.48 0.00 0.00 55.95 55.65 3h4e s SER 109 Cb 0.10 -0.40 0.01 0.00 0.10 0.00 0.00 66.02 65.83 3h4e s SER 109 CO 0.01 0.06 0.71 0.42 0.98 0.00 0.00 173.24 175.42 3h4e s THR 110 N -2.19 3.44 0.23 2.02 -4.23 -1.26 -4.90 115.64 108.75 3h4e s THR 110 Ca 0.27 -0.58 -0.07 0.00 -1.18 0.00 0.00 61.69 60.13 3h4e s THR 110 Cb -0.06 -3.28 0.20 0.00 1.34 0.00 0.00 72.50 70.70 3h4e s THR 110 CO 0.14 -0.19 1.87 0.25 -0.54 0.00 0.00 174.62 176.16 3h4e h LEU 111 N 0.28 0.90 -0.55 4.79 5.85 -1.99 -1.51 115.31 123.08 3h4e h LEU 111 Ca -0.44 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.30 3h4e h LEU 111 Cb 1.27 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 3h4e h LEU 111 CO 0.55 0.62 0.32 1.56 -0.34 0.00 0.00 178.44 181.14 3h4e h GLN 112 N 1.05 0.60 -0.37 1.25 7.50 -1.99 0.51 115.11 123.66 3h4e h GLN 112 Ca 0.34 -0.04 -0.05 0.00 0.50 0.00 0.00 58.65 59.40 3h4e h GLN 112 Cb 0.01 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 27.39 3h4e h GLN 112 CO -0.12 0.40 0.03 0.93 -1.50 0.00 0.00 178.83 178.58 3h4e h GLU 113 N 0.62 0.63 -0.41 1.46 5.08 -1.87 -0.44 114.58 119.64 3h4e h GLU 113 Ca 0.23 -0.18 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3h4e h GLU 113 Cb 0.06 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 3h4e h GLU 113 CO -0.12 0.71 0.17 1.96 -1.00 0.00 0.00 179.01 180.74 3h4e h GLN 114 N 0.46 0.35 -0.78 2.33 4.20 -0.88 -0.10 115.11 120.69 3h4e h GLN 114 Ca 0.11 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 3h4e h GLN 114 Cb 0.41 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.07 3h4e h GLN 114 CO 0.01 0.23 0.49 0.82 -0.67 0.00 0.00 178.83 179.71 3h4e h ILE 115 N 0.36 1.21 -0.12 2.54 2.04 -0.81 -1.13 117.51 121.61 3h4e h ILE 115 Ca 0.18 -0.45 0.05 0.00 1.00 0.00 0.00 64.86 65.64 3h4e h ILE 115 Cb 0.13 0.11 -0.06 0.00 -0.74 0.00 0.00 36.82 36.26 3h4e h ILE 115 CO -0.16 0.22 -0.32 1.23 0.00 0.00 0.00 178.15 179.11 3h4e h GLY 116 N 1.06 -0.46 1.00 5.37 0.00 -0.07 -1.63 103.07 108.34 3h4e h GLY 116 Ca 0.28 0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.99 3h4e h GLY 116 CO -0.06 -0.22 0.30 1.49 0.00 0.00 0.00 176.54 178.05 3h4e h TRP 117 N -0.41 0.90 -0.03 5.60 6.55 -0.75 -2.26 115.95 125.56 3h4e h TRP 117 Ca 0.09 -0.04 -0.12 0.00 0.95 0.00 0.00 58.89 59.77 3h4e h TRP 117 Cb 0.55 -0.28 -0.01 0.00 -0.86 0.00 0.00 29.16 28.56 3h4e h TRP 117 CO -0.40 0.68 -0.53 0.52 -1.05 0.00 0.00 178.44 177.65 3h4e h MET 118 N 0.86 0.08 -0.48 0.49 2.86 -0.97 0.11 114.93 117.88 3h4e h MET 118 Ca 0.21 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3h4e h MET 118 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 3h4e h MET 118 CO -0.03 0.60 0.00 0.25 1.06 0.00 0.00 176.91 178.79 3h4e n THR 119 N -3.91 0.89 -1.25 2.22 -2.24 -0.63 -4.65 114.28 104.70 3h4e n THR 119 Ca -0.02 -0.94 -0.30 0.00 -2.27 0.00 0.00 64.05 60.53 3h4e n THR 119 Cb 0.55 0.60 0.14 0.00 -2.10 0.00 0.00 70.33 69.52 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 -1.05 2.34 -0.29 4.78 5.04 -0.85 -4.89 115.29 120.36 3h4e s HIS 120 Ca 0.34 1.18 0.01 0.00 -1.54 0.00 0.00 55.06 55.06 3h4e s HIS 120 Cb 0.18 -3.18 0.09 0.00 0.04 0.00 0.00 32.58 29.71 3h4e s HIS 120 CO 0.24 -2.41 0.03 1.21 -2.34 0.00 0.00 174.74 171.47 3h4e s ASN 121 N -3.50 4.22 0.53 9.88 2.47 -1.26 -1.22 114.94 126.06 3h4e s ASN 121 Ca 0.63 -1.66 -0.16 0.00 0.42 0.00 0.00 52.86 52.10 3h4e s ASN 121 Cb -0.18 -1.22 -0.07 0.00 -1.45 0.00 0.00 41.25 38.33 3h4e s ASN 121 CO 0.57 -0.34 0.99 -2.16 -3.72 0.00 0.00 177.10 172.44 3h4e s PRO 122 N 1.30 3.89 0.55 0.43 0.05 -1.26 -5.14 135.00 134.82 3h4e s PRO 122 Ca 0.05 0.92 -0.19 0.00 0.05 0.00 0.00 61.00 61.83 3h4e s PRO 122 Cb -0.18 -2.13 -0.06 0.00 0.05 0.00 0.00 34.50 32.19 3h4e s PRO 122 CO -0.13 -0.33 1.12 -2.14 0.05 0.00 0.00 177.00 175.58 3h4e s PRO 123 N -4.27 3.34 -0.41 0.56 0.02 -0.36 -5.02 135.00 128.87 3h4e s PRO 123 Ca 0.58 1.58 -0.07 0.00 0.02 0.00 0.00 61.00 63.11 3h4e s PRO 123 Cb -0.10 -2.01 0.09 0.00 0.02 0.00 0.00 34.50 32.50 3h4e s PRO 123 CO 0.35 -0.85 0.23 0.42 -0.33 0.00 0.00 177.00 176.82 3h4e s ILE 124 N -1.83 3.93 -1.22 2.83 1.01 0.39 -4.98 121.20 121.32 3h4e s ILE 124 Ca 0.72 -1.56 -0.11 0.00 0.00 0.00 0.00 60.65 59.69 3h4e s ILE 124 Cb -0.23 -3.46 -0.06 0.00 0.01 0.00 0.00 42.46 38.71 3h4e s ILE 124 CO 0.28 -0.53 2.38 -2.65 0.00 0.00 0.00 174.94 174.41 3h4e n PRO 125 N 4.83 2.66 -0.09 2.79 -0.02 -1.26 -3.62 135.00 140.29 3h4e n PRO 125 Ca -0.09 -1.98 0.17 0.00 -2.02 0.00 0.00 63.50 59.58 3h4e n PRO 125 Cb 0.42 -2.80 0.58 0.00 -0.02 0.00 0.00 33.50 31.68 3h4e n PRO 125 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3h4e h VAL 126 N 3.58 0.79 -0.22 -1.45 -1.51 -1.91 0.89 116.25 116.40 3h4e h VAL 126 Ca 0.62 -0.09 -0.01 0.00 -1.23 0.00 0.00 66.70 65.99 3h4e h VAL 126 Cb 0.37 0.52 -0.01 0.00 -2.13 0.00 0.00 31.29 30.04 3h4e h VAL 126 CO 1.73 0.05 0.10 1.23 -1.23 0.00 0.00 177.57 179.44 3h4e h GLY 127 N 0.25 0.36 1.90 5.19 0.00 -1.83 -0.56 103.07 108.37 3h4e h GLY 127 Ca 0.31 -0.19 -0.16 0.00 0.00 0.00 0.00 47.33 47.29 3h4e h GLY 127 CO -0.07 0.18 -0.72 0.83 0.00 0.00 0.00 176.54 176.76 3h4e h GLU 128 N 0.22 0.10 0.03 4.80 4.39 -1.20 -0.56 114.58 122.35 3h4e h GLU 128 Ca 0.08 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 3h4e h GLU 128 Cb 0.16 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 3h4e h GLU 128 CO -0.01 0.77 -0.01 0.82 -1.16 0.00 0.00 179.01 179.42 3h4e h ILE 129 N 0.06 1.27 -1.00 3.13 2.04 -0.88 -2.27 117.51 119.86 3h4e h ILE 129 Ca -0.02 -0.92 0.03 0.00 1.00 0.00 0.00 64.86 64.96 3h4e h ILE 129 Cb 1.27 1.88 -0.06 0.00 -0.74 0.00 0.00 36.82 39.18 3h4e h ILE 129 CO 0.10 0.23 0.66 0.22 0.00 0.00 0.00 178.15 179.36 3h4e h TYR 130 N -0.43 1.23 -0.50 1.37 3.20 -0.99 -1.84 116.97 119.00 3h4e h TYR 130 Ca -0.00 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 3h4e h TYR 130 Cb 0.41 -0.41 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 3h4e h TYR 130 CO 0.06 0.73 0.12 -0.22 -1.64 0.00 0.00 178.16 177.21 3h4e h LYS 131 N 1.28 0.76 -0.66 1.82 3.64 -1.04 -1.50 116.57 120.88 3h4e h LYS 131 Ca 0.39 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.59 3h4e h LYS 131 Cb -0.04 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 3h4e h LYS 131 CO -0.11 0.69 0.30 -0.09 -2.27 0.00 0.00 179.45 177.97 3h4e h ARG 132 N 0.74 0.96 -0.45 1.90 2.43 -0.73 -0.50 114.38 118.73 3h4e h ARG 132 Ca 0.17 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 3h4e h ARG 132 Cb 0.27 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3h4e h ARG 132 CO -0.00 0.78 0.10 -1.49 -1.51 0.00 0.00 179.97 177.85 3h4e h TRP 133 N 0.92 0.76 -0.67 2.20 6.55 -1.14 -1.95 115.95 122.61 3h4e h TRP 133 Ca 0.23 -0.09 0.00 0.00 0.95 0.00 0.00 58.89 59.97 3h4e h TRP 133 Cb 0.14 -0.21 -0.03 0.00 -0.86 0.00 0.00 29.16 28.20 3h4e h TRP 133 CO 0.01 0.70 0.42 0.82 -1.05 0.00 0.00 178.44 179.34 3h4e h ILE 134 N 0.59 1.19 -0.12 1.49 2.04 -0.92 -1.84 117.51 119.95 3h4e h ILE 134 Ca 0.14 -0.38 -0.09 0.00 1.00 0.00 0.00 64.86 65.53 3h4e h ILE 134 Cb 0.33 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3h4e h ILE 134 CO 0.00 0.19 -0.32 0.40 0.00 0.00 0.00 178.15 178.42 3h4e h ILE 135 N 0.92 1.27 -0.01 -0.67 2.04 -1.00 0.36 117.51 120.41 3h4e h ILE 135 Ca 0.24 -1.28 0.01 0.00 1.00 0.00 0.00 64.86 64.84 3h4e h ILE 135 Cb -0.06 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3h4e h ILE 135 CO -0.05 0.38 -0.03 -0.07 0.00 0.00 0.00 178.15 178.39 3h4e h LEU 136 N 0.20 -0.09 -0.44 1.44 3.38 -0.79 -0.16 115.31 118.85 3h4e h LEU 136 Ca 0.03 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3h4e h LEU 136 Cb 0.67 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 3h4e h LEU 136 CO 0.05 -0.04 0.21 1.23 0.09 0.00 0.00 178.44 179.97 3h4e h GLY 137 N -0.04 0.60 1.04 0.83 0.00 -0.98 -2.58 103.07 101.93 3h4e h GLY 137 Ca 0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 3h4e h GLY 137 CO -0.04 0.09 0.36 1.41 0.00 0.00 0.00 176.54 178.36 3h4e h LEU 138 N 0.42 1.10 -0.64 3.11 3.38 -0.73 -2.19 115.31 119.75 3h4e h LEU 138 Ca 0.19 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3h4e h LEU 138 Cb 0.12 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 3h4e h LEU 138 CO -0.15 0.95 0.37 0.78 0.09 0.00 0.00 178.44 180.48 3h4e h ASN 139 N 1.18 0.58 -0.28 -0.43 2.35 -0.89 0.10 115.58 118.20 3h4e h ASN 139 Ca 0.28 0.02 0.04 0.00 -0.55 0.00 0.00 56.30 56.08 3h4e h ASN 139 Cb 0.17 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.39 3h4e h ASN 139 CO -0.03 0.39 0.04 0.11 -1.65 0.00 0.00 177.43 176.29 3h4e h LYS 140 N 0.71 0.13 -0.83 0.81 1.57 -1.04 -1.85 116.57 116.08 3h4e h LYS 140 Ca 0.27 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 3h4e h LYS 140 Cb 0.10 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 3h4e h LYS 140 CO -0.14 0.09 0.48 0.82 -0.57 0.00 0.00 179.45 180.13 3h4e h ILE 141 N 0.14 1.24 -0.74 1.86 2.04 -0.92 -1.57 117.51 119.55 3h4e h ILE 141 Ca 0.13 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 3h4e h ILE 141 Cb 0.14 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.28 3h4e h ILE 141 CO -0.18 0.25 0.44 0.58 0.00 0.00 0.00 178.15 179.24 3h4e h VAL 142 N 1.14 1.22 -0.49 1.67 2.07 -0.59 -0.87 116.25 120.39 3h4e h VAL 142 Ca 0.29 -0.50 -0.10 0.00 0.82 0.00 0.00 66.70 67.22 3h4e h VAL 142 Cb -0.01 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 3h4e h VAL 142 CO -0.05 0.23 -0.09 0.03 0.02 0.00 0.00 177.57 177.71 3h4e h ARG 143 N 1.02 0.93 -0.72 1.57 3.08 -0.98 -2.64 114.38 116.64 3h4e h ARG 143 Ca 0.27 -0.34 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 3h4e h ARG 143 Cb -0.01 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 3h4e h ARG 143 CO -0.05 1.00 0.26 0.52 -1.07 0.00 0.00 179.97 180.63 3h4e h MET 144 N 0.79 1.09 -0.00 0.04 2.86 -1.07 -2.98 114.93 115.65 3h4e h MET 144 Ca 0.13 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3h4e h MET 144 Cb 0.64 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.13 3h4e h MET 144 CO 0.04 0.91 -0.02 0.66 1.06 0.00 0.00 176.91 179.56 3h4e n TYR 145 N -4.32 0.00 -1.68 -0.22 4.02 -0.35 -4.82 117.16 109.78 3h4e n TYR 145 Ca 0.06 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.52 3h4e n TYR 145 Cb 0.20 -0.09 -0.03 0.00 -0.02 0.00 0.00 39.34 39.40 3h4e n TYR 145 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3h4e s SER 146 N -2.20 6.31 0.19 7.72 0.15 -1.01 -4.87 113.70 120.01 3h4e s SER 146 Ca 0.39 2.53 0.07 0.00 0.70 0.00 0.00 55.95 59.64 3h4e s SER 146 Cb 0.21 -2.53 0.07 0.00 -1.71 0.00 0.00 66.02 62.06 3h4e s SER 146 CO 0.40 -1.18 1.44 1.55 1.20 0.00 0.00 173.24 176.65 3h4e h PRO 147 N 11.19 0.05 -4.47 5.44 0.14 -1.91 -3.46 132.00 138.99 3h4e h PRO 147 Ca -0.48 -0.05 -0.39 0.00 0.14 0.00 0.00 66.00 65.21 3h4e h PRO 147 Cb 1.23 0.02 -0.30 0.00 0.14 0.00 0.00 31.00 32.09 3h4e h PRO 147 CO 0.94 0.83 -0.78 0.99 0.14 0.00 0.00 178.00 180.13 3h4e s THR 148 N -3.20 0.64 0.50 1.56 2.01 -1.26 -5.13 115.64 110.76 3h4e s THR 148 Ca -0.01 -0.30 -0.21 0.00 0.31 0.00 0.00 61.69 61.48 3h4e s THR 148 Cb 0.11 -0.57 -0.07 0.00 0.01 0.00 0.00 72.50 71.98 3h4e s THR 148 CO 0.80 0.20 1.15 -0.55 -0.69 0.00 0.00 174.62 175.53 3h4e s SER 149 N 0.14 5.95 0.54 3.53 0.15 -1.26 -4.92 113.70 117.83 3h4e s SER 149 Ca -0.02 2.24 0.28 0.00 0.70 0.00 0.00 55.95 59.16 3h4e s SER 149 Cb -0.07 -2.59 1.55 0.00 -1.71 0.00 0.00 66.02 63.20 3h4e s SER 149 CO 0.00 -1.07 2.11 -0.29 1.20 0.00 0.00 173.24 175.20 3h4e h ILE 150 N 1.54 0.53 0.00 6.45 6.09 -1.96 -2.34 117.51 127.82 3h4e h ILE 150 Ca -0.50 -0.41 0.00 0.00 -1.37 0.00 0.00 64.86 62.58 3h4e h ILE 150 Cb 1.25 1.27 0.00 0.00 0.47 0.00 0.00 36.82 39.82 3h4e h ILE 150 CO 0.59 0.09 0.00 -0.07 -3.07 0.00 0.00 178.15 175.68 3h4e h LEU 151 N 0.00 0.00 -2.08 2.19 3.38 -2.01 -2.86 115.31 113.92 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 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 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 -3.02 3.04 -4.43 -0.43 8.00 -0.88 -4.81 116.55 114.02 3h4e n ASP 152 Ca 0.00 -2.02 -0.44 0.00 0.71 0.00 0.00 54.79 53.05 3h4e n ASP 152 Cb 0.26 -0.38 -0.08 0.00 -0.02 0.00 0.00 41.12 40.90 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 -1.28 5.19 -0.02 0.53 -1.09 -1.08 -5.03 121.20 118.41 3h4e s ILE 153 Ca 0.38 -0.76 0.02 0.00 -2.23 0.00 0.00 60.65 58.06 3h4e s ILE 153 Cb 0.20 -4.06 0.01 0.00 -1.58 0.00 0.00 42.46 37.03 3h4e s ILE 153 CO 0.25 -0.48 -0.05 -0.13 -1.23 0.00 0.00 174.94 173.29 3h4e s ARG 154 N 1.83 0.66 0.11 2.79 0.52 -1.26 -4.84 118.95 118.76 3h4e s ARG 154 Ca 0.07 -0.16 -0.31 0.00 -0.52 0.00 0.00 55.73 54.80 3h4e s ARG 154 Cb -0.21 -0.66 -0.09 0.00 0.52 0.00 0.00 34.95 34.50 3h4e s ARG 154 CO 0.09 0.03 1.70 -1.14 0.02 0.00 0.00 175.30 176.01 3h4e s GLN 155 N 0.38 4.18 0.98 3.54 0.74 0.31 -4.97 119.66 124.83 3h4e s GLN 155 Ca -0.05 2.44 -0.13 0.00 0.05 0.00 0.00 55.36 57.67 3h4e s GLN 155 Cb -0.09 -3.52 0.10 0.00 1.10 0.00 0.00 33.01 30.61 3h4e s GLN 155 CO -0.00 -0.75 0.65 0.41 -0.55 0.00 0.00 175.29 175.04 3h4e n GLY 156 N 4.04 -1.56 0.13 2.59 0.00 -1.26 -4.21 105.19 104.91 3h4e n GLY 156 Ca 0.16 -0.79 -0.02 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 -1.84 0.01 -0.01 1.61 0.11 -2.01 -3.19 132.00 126.68 3h4e h PRO 157 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 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 0.38 0.68 -0.48 0.36 -0.21 0.00 0.00 178.00 178.74 3h4e n LYS 158 N -3.74 1.62 -3.01 1.05 2.85 -1.26 -4.98 118.16 110.68 3h4e n LYS 158 Ca -0.01 -0.60 -0.41 0.00 -1.05 0.00 0.00 58.31 56.25 3h4e n LYS 158 Cb 0.66 -1.30 -0.05 0.00 -0.65 0.00 0.00 35.03 33.70 3h4e n LYS 158 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 3h4e s GLU 159 N -2.15 4.29 0.54 -1.58 2.12 -1.21 -5.03 118.70 115.68 3h4e s GLU 159 Ca 0.12 0.83 -0.22 0.00 0.36 0.00 0.00 54.97 56.06 3h4e s GLU 159 Cb 0.13 -3.55 -0.05 0.00 0.26 0.00 0.00 34.13 30.92 3h4e s GLU 159 CO 0.50 -0.22 1.38 -2.30 -0.54 0.00 0.00 175.26 174.08 3h4e n PRO 160 N 4.88 1.79 -0.18 4.30 -0.02 -1.26 -4.63 135.00 139.86 3h4e n PRO 160 Ca 0.01 0.65 -0.02 0.00 -2.02 0.00 0.00 63.50 62.12 3h4e n PRO 160 Cb 0.50 -2.60 0.08 0.00 -0.02 0.00 0.00 33.50 31.46 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 1.56 0.42 -0.60 6.00 3.57 -1.96 -2.14 116.94 123.79 3h4e h PHE 161 Ca -0.51 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.11 3h4e h PHE 161 Cb 1.30 -0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.86 3h4e h PHE 161 CO 0.46 0.15 0.21 -0.09 -2.23 0.00 0.00 178.31 176.81 3h4e h ARG 162 N 0.44 0.36 0.00 1.11 2.43 -1.91 -0.26 114.38 116.55 3h4e h ARG 162 Ca 0.27 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.39 3h4e h ARG 162 Cb 0.27 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3h4e h ARG 162 CO -0.24 0.24 -0.11 -0.44 -1.51 0.00 0.00 179.97 177.91 3h4e h ASP 163 N 0.38 0.00 0.20 -3.80 3.32 -1.76 -0.70 116.42 114.06 3h4e h ASP 163 Ca 0.30 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 57.07 3h4e h ASP 163 Cb 0.39 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.97 3h4e h ASP 163 CO -0.32 0.11 -1.25 0.22 -1.72 0.00 0.00 179.24 176.28 3h4e h TYR 164 N 0.00 0.88 -0.62 4.55 3.20 -0.89 -2.76 116.97 121.32 3h4e h TYR 164 Ca -0.00 -0.62 -0.05 0.00 3.14 0.00 0.00 58.73 61.19 3h4e h TYR 164 Cb 0.19 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 3h4e h TYR 164 CO 0.00 1.48 0.18 0.28 -1.64 0.00 0.00 178.16 178.45 3h4e h VAL 165 N 0.03 1.25 -0.37 1.81 2.07 -0.85 0.05 116.25 120.25 3h4e h VAL 165 Ca -0.21 -0.88 0.08 0.00 0.82 0.00 0.00 66.70 66.51 3h4e h VAL 165 Cb 1.97 0.63 -0.08 0.00 -1.52 0.00 0.00 31.29 32.30 3h4e h VAL 165 CO 0.24 0.33 -0.16 0.44 0.02 0.00 0.00 177.57 178.44 3h4e h ASP 166 N 0.90 -0.54 0.05 0.57 3.45 -1.17 -0.26 116.42 119.43 3h4e h ASP 166 Ca 0.20 0.13 -0.08 0.00 0.43 0.00 0.00 57.03 57.71 3h4e h ASP 166 Cb 0.32 0.31 -0.01 0.00 -0.56 0.00 0.00 39.33 39.38 3h4e h ASP 166 CO -0.00 -0.19 -0.24 0.03 -1.57 0.00 0.00 179.24 177.26 3h4e h ARG 167 N -0.09 0.33 0.61 3.56 3.08 -1.17 -0.83 114.38 119.87 3h4e h ARG 167 Ca 0.18 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 3h4e h ARG 167 Cb 0.37 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.40 3h4e h ARG 167 CO -0.43 0.56 -0.29 0.35 -1.07 0.00 0.00 179.97 179.08 3h4e h PHE 168 N 0.30 -0.76 -0.02 3.04 3.57 -0.00 -2.41 116.94 120.64 3h4e h PHE 168 Ca 0.05 -0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.36 3h4e h PHE 168 Cb 0.59 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 3h4e h PHE 168 CO 0.01 -0.44 -0.73 1.88 -2.23 0.00 0.00 178.31 176.79 3h4e h TYR 169 N -0.91 0.23 -0.74 0.41 0.05 -1.04 -0.69 116.97 114.28 3h4e h TYR 169 Ca -0.08 -0.11 -0.00 0.00 0.05 0.00 0.00 58.73 58.59 3h4e h TYR 169 Cb 0.66 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 38.33 3h4e h TYR 169 CO -0.02 0.84 0.45 0.87 -1.05 0.00 0.00 178.16 179.25 3h4e h LYS 170 N 0.11 1.00 -0.21 4.88 6.56 -1.21 -0.89 116.57 126.80 3h4e h LYS 170 Ca -0.02 -0.09 -0.04 0.00 -1.06 0.00 0.00 60.65 59.44 3h4e h LYS 170 Cb 1.30 -0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 32.74 3h4e h LYS 170 CO 0.11 0.71 -0.03 1.15 -2.06 0.00 0.00 179.45 179.32 3h4e h THR 171 N 1.01 1.28 -0.80 -0.16 2.02 -1.25 -2.73 112.91 112.28 3h4e h THR 171 Ca 0.27 -0.98 0.07 0.00 0.77 0.00 0.00 66.41 66.53 3h4e h THR 171 Cb -0.04 1.50 -0.06 0.00 -1.74 0.00 0.00 68.15 67.81 3h4e h THR 171 CO -0.05 0.30 0.48 0.25 0.37 0.00 0.00 175.52 176.87 3h4e h LEU 172 N 0.12 0.72 -0.88 2.58 5.85 -1.01 -2.07 115.31 120.63 3h4e h LEU 172 Ca 0.05 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 3h4e h LEU 172 Cb 0.47 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3h4e h LEU 172 CO 0.02 0.44 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.46 3h4e h ARG 173 N 0.85 0.82 -0.28 1.25 2.43 -1.09 -2.85 114.38 115.50 3h4e h ARG 173 Ca 0.37 -0.23 -0.18 0.00 -0.81 0.00 0.00 59.98 59.12 3h4e h ARG 173 Cb 0.24 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3h4e h ARG 173 CO -0.20 0.83 -0.54 0.00 -1.51 0.00 0.00 179.97 178.55 3h4e h ALA 174 N 1.22 0.49 -0.21 2.80 0.00 -1.13 -0.50 119.26 121.94 3h4e h ALA 174 Ca 0.14 -0.51 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 3h4e h ALA 174 Cb 0.48 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3h4e h ALA 174 CO 0.02 0.68 -0.22 0.93 0.00 0.00 0.00 179.25 180.67 3h4e h GLU 175 N 0.65 0.37 -0.01 0.00 4.39 -1.23 -2.96 114.58 115.78 3h4e h GLU 175 Ca 0.02 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.59 3h4e h GLU 175 Cb 1.15 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 3h4e h GLU 175 CO 0.12 0.57 -0.31 1.04 -1.16 0.00 0.00 179.01 179.27 3h4e n GLN 176 N -4.16 1.56 -3.94 2.33 6.02 -1.09 -4.75 117.38 113.34 3h4e n GLN 176 Ca -0.00 -1.02 -0.27 0.00 -0.01 0.00 0.00 57.00 55.70 3h4e n GLN 176 Cb 0.36 -1.35 -0.00 0.00 1.02 0.00 0.00 30.24 30.27 3h4e n GLN 176 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h4e n ALA 177 N 0.13 -1.75 -3.48 -1.58 0.00 -0.28 -4.95 120.51 108.59 3h4e n ALA 177 Ca 0.08 -0.12 -0.11 0.00 0.00 0.00 0.00 53.44 53.29 3h4e n ALA 177 Cb 0.40 -2.46 -0.03 0.00 0.00 0.00 0.00 19.45 17.37 3h4e n ALA 177 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h4e s SER 178 N -4.00 -0.46 0.00 0.00 0.15 -0.67 -5.02 113.70 103.70 3h4e s SER 178 Ca 0.25 0.10 0.12 0.00 0.70 0.00 0.00 55.95 57.12 3h4e s SER 178 Cb -0.13 0.47 0.06 0.00 -1.71 0.00 0.00 66.02 64.71 3h4e s SER 178 CO 0.87 -0.72 0.82 0.00 1.20 0.00 0.00 173.24 175.41 3h4e n GLN 179 N -0.10 1.20 -3.24 5.44 6.02 -1.26 -4.03 117.38 121.41 3h4e n GLN 179 Ca -0.13 -1.02 -0.39 0.00 -0.01 0.00 0.00 57.00 55.46 3h4e n GLN 179 Cb 0.62 -1.20 -0.06 0.00 1.02 0.00 0.00 30.24 30.63 3h4e n GLN 179 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3h4e s GLU 180 N -1.22 4.30 0.00 -1.09 8.01 -1.26 -5.05 118.70 122.40 3h4e s GLU 180 Ca 0.13 0.65 0.00 0.00 0.01 0.00 0.00 54.97 55.75 3h4e s GLU 180 Cb 0.10 -3.37 0.00 0.00 -4.31 0.00 0.00 34.13 26.55 3h4e s GLU 180 CO 0.21 0.30 0.00 0.27 0.01 0.00 0.00 175.26 176.05 3h4e n ASN 183 N 3.03 0.00 0.24 -0.19 0.23 -1.26 -5.13 115.26 112.18 3h4e n ASN 183 Ca -0.07 0.00 0.07 0.00 -0.53 0.00 0.00 54.58 54.05 3h4e n ASN 183 Cb 0.51 0.00 0.56 0.00 -2.08 0.00 0.00 39.78 38.77 3h4e n ASN 183 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3h4e h ALA 184 N 0.00 1.77 0.07 -2.53 0.00 -2.06 -1.17 119.26 115.34 3h4e h ALA 184 Ca 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3h4e h ALA 184 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3h4e h ALA 184 CO 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 179.25 179.37 3h4e h ALA 185 N 1.88 -0.09 -0.34 0.00 0.00 -2.05 -1.89 119.26 116.76 3h4e h ALA 185 Ca -0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 3h4e h ALA 185 Cb 0.22 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3h4e h ALA 185 CO 0.02 -0.41 -0.12 1.79 0.00 0.00 0.00 179.25 180.53 3h4e h THR 186 N -0.36 1.24 -0.55 0.00 1.35 -1.89 -1.61 112.91 111.09 3h4e h THR 186 Ca -0.01 -1.07 0.03 0.00 -0.55 0.00 0.00 66.41 64.81 3h4e h THR 186 Cb 0.32 1.11 -0.04 0.00 -1.73 0.00 0.00 68.15 67.81 3h4e h THR 186 CO 0.01 0.36 0.32 -0.33 -0.25 0.00 0.00 175.52 175.63 3h4e h GLU 187 N 0.54 0.61 -0.30 4.72 5.08 -1.11 -0.62 114.58 123.50 3h4e h GLU 187 Ca 0.10 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 3h4e h GLU 187 Cb 0.53 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3h4e h GLU 187 CO 0.03 0.40 -0.37 1.79 -1.00 0.00 0.00 179.01 179.86 3h4e h THR 188 N 0.63 1.29 -0.10 1.13 1.35 -1.00 -3.12 112.91 113.08 3h4e h THR 188 Ca 0.23 -1.54 -0.13 0.00 -0.55 0.00 0.00 66.41 64.42 3h4e h THR 188 Cb 0.06 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 67.93 3h4e h THR 188 CO -0.12 0.50 -0.52 0.25 -0.25 0.00 0.00 175.52 175.38 3h4e h LEU 189 N 0.58 0.30 -0.20 3.87 5.85 -0.96 -1.30 115.31 123.44 3h4e h LEU 189 Ca 0.05 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 3h4e h LEU 189 Cb 0.90 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 3h4e h LEU 189 CO 0.08 0.77 0.06 0.25 -0.34 0.00 0.00 178.44 179.26 3h4e h LEU 190 N 0.21 0.29 -0.42 2.25 5.85 -1.10 -2.11 115.31 120.29 3h4e h LEU 190 Ca 0.01 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 3h4e h LEU 190 Cb 0.99 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 3h4e h LEU 190 CO 0.08 0.42 0.09 0.58 -0.34 0.00 0.00 178.44 179.27 3h4e h VAL 191 N 0.15 1.24 -0.74 1.05 2.07 -1.49 -3.05 116.25 115.46 3h4e h VAL 191 Ca 0.06 -0.83 0.05 0.00 0.82 0.00 0.00 66.70 66.80 3h4e h VAL 191 Cb 0.23 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 3h4e h VAL 191 CO -0.00 0.29 0.49 -0.61 0.02 0.00 0.00 177.57 177.76 3h4e h GLN 192 N 0.54 0.81 -0.63 1.57 4.15 -1.09 -2.50 115.11 117.95 3h4e h GLN 192 Ca 0.13 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.50 3h4e h GLN 192 Cb 0.34 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.85 3h4e h GLN 192 CO 0.00 0.54 0.00 0.09 -1.93 0.00 0.00 178.83 177.53 3h4e n ASN 193 N -4.47 3.75 -4.81 -0.69 3.02 -0.80 -4.92 115.26 106.34 3h4e n ASN 193 Ca 0.10 -2.18 -0.33 0.00 -0.03 0.00 0.00 54.58 52.14 3h4e n ASN 193 Cb 0.18 -0.48 -0.01 0.00 -0.61 0.00 0.00 39.78 38.86 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 -1.47 2.84 0.99 5.41 0.00 -0.94 -0.53 121.76 128.06 3h4e s ALA 194 Ca 0.43 0.41 -0.11 0.00 0.00 0.00 0.00 51.96 52.69 3h4e s ALA 194 Cb 0.25 -3.21 0.19 0.00 0.00 0.00 0.00 23.12 20.34 3h4e s ALA 194 CO 0.25 -0.55 1.09 0.54 0.00 0.00 0.00 175.76 177.09 3h4e s ASN 195 N -2.61 2.44 0.12 0.00 2.20 -1.26 -4.58 114.94 111.24 3h4e s ASN 195 Ca 0.64 1.73 -0.27 0.00 -0.94 0.00 0.00 52.86 54.02 3h4e s ASN 195 Cb -0.15 -2.35 -0.07 0.00 -2.00 0.00 0.00 41.25 36.68 3h4e s ASN 195 CO 0.31 -3.32 1.63 -0.65 -2.94 0.00 0.00 177.10 172.13 3h4e h PRO 196 N -2.02 -0.43 -0.09 3.55 0.11 -1.92 0.11 132.00 131.31 3h4e h PRO 196 Ca -0.52 0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.66 3h4e h PRO 196 Cb 1.29 0.10 -0.06 0.00 0.11 0.00 0.00 31.00 32.44 3h4e h PRO 196 CO 0.49 -0.29 -0.45 -0.44 -0.21 0.00 0.00 178.00 177.10 3h4e h ASP 197 N -0.45 -1.41 -0.63 -2.05 3.32 -1.98 -2.55 116.42 110.67 3h4e h ASP 197 Ca 0.05 0.18 -0.05 0.00 0.02 0.00 0.00 57.03 57.23 3h4e h ASP 197 Cb 0.50 0.56 -0.03 0.00 0.22 0.00 0.00 39.33 40.59 3h4e h ASP 197 CO -0.20 -0.46 0.21 0.00 -1.72 0.00 0.00 179.24 177.08 3h4e h LYS 199 N 0.90 0.60 -0.07 0.00 3.64 -0.54 0.43 116.57 121.52 3h4e h LYS 199 Ca 0.21 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 3h4e h LYS 199 Cb 0.27 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3h4e h LYS 199 CO -0.01 0.39 -0.11 1.79 -2.27 0.00 0.00 179.45 179.25 3h4e h THR 200 N 0.61 1.39 -0.94 1.00 1.35 -1.28 -2.01 112.91 113.05 3h4e h THR 200 Ca 0.48 -1.35 0.07 0.00 -0.55 0.00 0.00 66.41 65.06 3h4e h THR 200 Cb 0.70 2.12 -0.07 0.00 -1.73 0.00 0.00 68.15 69.17 3h4e h THR 200 CO -0.38 0.38 0.59 0.40 -0.25 0.00 0.00 175.52 176.26 3h4e h ILE 201 N -0.26 1.03 -0.10 6.82 5.03 -1.23 -2.00 117.51 126.80 3h4e h ILE 201 Ca 0.01 -0.36 -0.04 0.00 -0.12 0.00 0.00 64.86 64.35 3h4e h ILE 201 Cb 0.66 -0.10 -0.00 0.00 -3.03 0.00 0.00 36.82 34.35 3h4e h ILE 201 CO 0.03 0.19 -0.08 -0.07 -0.68 0.00 0.00 178.15 177.54 3h4e h LEU 202 N 1.05 0.25 -2.21 1.44 3.38 -0.90 -2.44 115.31 115.88 3h4e h LEU 202 Ca 0.42 -0.46 0.05 0.00 0.09 0.00 0.00 57.88 57.98 3h4e h LEU 202 Cb 0.23 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3h4e h LEU 202 CO -0.19 0.65 0.19 0.07 0.09 0.00 0.00 178.44 179.25 3h4e h LYS 203 N -0.15 0.00 -0.28 1.13 2.10 -1.19 -1.52 116.57 116.66 3h4e h LYS 203 Ca 0.02 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.52 3h4e h LYS 203 Cb 0.57 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.90 3h4e h LYS 203 CO 0.02 0.00 -0.42 0.00 -2.00 0.00 0.00 179.45 177.05 3h4e h ALA 204 N 1.80 0.72 0.00 0.07 0.00 -0.88 -2.91 119.26 118.06 3h4e h ALA 204 Ca 0.09 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3h4e h ALA 204 Cb 0.46 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3h4e h ALA 204 CO -0.00 0.66 0.00 1.28 0.00 0.00 0.00 179.25 181.19 3h4e n LEU 205 N -4.03 0.00 -0.86 0.00 4.77 -0.57 -4.96 117.00 111.35 3h4e n LEU 205 Ca -0.02 0.33 0.12 0.00 -0.03 0.00 0.00 56.01 56.40 3h4e n LEU 205 Cb 0.54 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 3h4e n LEU 205 CO 0.47 -0.26 -0.16 0.61 -1.33 0.00 0.00 177.39 176.71 3h4e n GLY 206 N -0.77 -1.68 3.78 -0.72 0.00 -1.10 -4.81 105.19 99.89 3h4e n GLY 206 Ca 0.03 -1.31 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.78 2.23 -0.54 1.61 0.02 -1.26 -4.19 135.00 131.09 3h4e s PRO 207 Ca 0.00 0.92 0.00 0.00 0.02 0.00 0.00 61.00 61.94 3h4e s PRO 207 Cb 0.00 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.61 3h4e s PRO 207 CO 0.00 -1.59 0.00 0.41 -0.33 0.00 0.00 177.00 175.49 3h4e n GLY 208 N -1.62 0.64 3.75 0.52 0.00 -1.26 -5.01 105.19 102.20 3h4e n GLY 208 Ca 0.08 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.21 3.34 0.44 4.61 0.00 -1.26 -5.05 121.76 121.63 3h4e s ALA 209 Ca 0.00 0.49 -0.22 0.00 0.00 0.00 0.00 51.96 52.24 3h4e s ALA 209 Cb 0.00 -3.14 -0.09 0.00 0.00 0.00 0.00 23.12 19.89 3h4e s ALA 209 CO 0.00 0.13 1.03 0.95 0.00 0.00 0.00 175.76 177.87 3h4e s THR 210 N -0.63 3.87 0.41 0.00 -4.23 -1.26 -4.91 115.64 108.89 3h4e s THR 210 Ca 0.41 1.26 0.18 0.00 -1.18 0.00 0.00 61.69 62.36 3h4e s THR 210 Cb -0.24 -3.56 0.38 0.00 1.34 0.00 0.00 72.50 70.42 3h4e s THR 210 CO 0.29 -0.16 1.83 0.25 -0.54 0.00 0.00 174.62 176.29 3h4e h LEU 211 N 1.96 0.43 0.03 4.79 5.85 -1.99 0.28 115.31 126.66 3h4e h LEU 211 Ca -0.49 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 3h4e h LEU 211 Cb 1.21 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3h4e h LEU 211 CO 0.61 0.15 -0.01 -0.08 -0.34 0.00 0.00 178.44 178.76 3h4e h GLU 212 N 0.41 -0.03 -0.57 1.25 4.81 -1.99 -1.54 114.58 116.91 3h4e h GLU 212 Ca 0.50 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.78 3h4e h GLU 212 Cb 1.25 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.59 3h4e h GLU 212 CO -0.21 0.03 0.31 0.93 -0.73 0.00 0.00 179.01 179.34 3h4e h GLU 213 N -0.09 0.57 -0.89 1.92 5.08 -1.36 -1.14 114.58 118.67 3h4e h GLU 213 Ca -0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3h4e h GLU 213 Cb 0.08 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 3h4e h GLU 213 CO 0.01 0.38 0.52 0.52 -1.00 0.00 0.00 179.01 179.43 3h4e h MET 214 N 0.59 1.23 -0.01 2.33 2.86 -1.10 -1.42 114.93 119.41 3h4e h MET 214 Ca 0.25 -0.13 -0.18 0.00 -2.06 0.00 0.00 59.70 57.58 3h4e h MET 214 Cb 0.13 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 3h4e h MET 214 CO -0.16 0.88 -0.82 0.52 1.06 0.00 0.00 176.91 178.39 3h4e h MET 215 N 1.24 0.18 -0.37 1.72 2.86 -0.76 -2.52 114.93 117.28 3h4e h MET 215 Ca 0.32 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 3h4e h MET 215 Cb -0.02 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 3h4e h MET 215 CO -0.06 0.90 0.14 1.15 1.06 0.00 0.00 176.91 180.10 3h4e h THR 216 N 0.11 1.20 -0.85 2.22 2.02 -1.02 -3.00 112.91 113.59 3h4e h THR 216 Ca -0.03 -0.63 0.01 0.00 0.77 0.00 0.00 66.41 66.52 3h4e h THR 216 Cb 1.42 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 68.71 3h4e h THR 216 CO 0.12 0.22 0.55 0.00 0.37 0.00 0.00 175.52 176.79 3h4e h ALA 217 N 0.98 1.38 -0.59 6.16 0.00 -1.04 -2.75 119.26 123.40 3h4e h ALA 217 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3h4e h ALA 217 Cb 0.21 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3h4e h ALA 217 CO -0.01 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.81 3h4e s GLN 219 N -2.54 2.44 0.00 0.00 2.00 -1.04 -4.62 119.66 115.90 3h4e s GLN 219 Ca 0.54 1.40 0.00 0.00 -2.00 0.00 0.00 55.36 55.30 3h4e s GLN 219 Cb 0.39 -4.49 0.00 0.00 0.80 0.00 0.00 33.01 29.71 3h4e s GLN 219 CO 0.18 -2.90 0.00 0.41 -0.50 0.00 0.00 175.29 172.48