#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 3.06 0.26 4.25 1.01 0.13 -1.14 121.20 128.77 3h4e s ILE 2 Ca 0.00 -0.74 0.08 0.00 0.00 0.00 0.00 60.65 59.99 3h4e s ILE 2 Cb 0.00 -2.45 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 3h4e s ILE 2 CO 0.00 0.35 -0.11 0.68 0.00 0.00 0.00 174.94 175.86 3h4e s VAL 3 N 1.40 1.81 -0.17 2.92 -7.23 -0.32 -4.79 120.40 114.03 3h4e s VAL 3 Ca 0.04 -2.19 -0.23 0.00 -1.81 0.00 0.00 61.98 57.78 3h4e s VAL 3 Cb -0.15 -2.30 -0.02 0.00 0.56 0.00 0.00 36.38 34.47 3h4e s VAL 3 CO -0.05 -0.41 0.72 -1.58 -0.31 0.00 0.00 175.10 173.47 3h4e s GLN 4 N -3.67 4.28 0.00 4.82 0.74 -1.26 -0.72 119.66 123.86 3h4e s GLN 4 Ca 0.27 0.81 0.00 0.00 0.05 0.00 0.00 55.36 56.49 3h4e s GLN 4 Cb 0.01 -3.56 0.00 0.00 1.10 0.00 0.00 33.01 30.57 3h4e s GLN 4 CO 0.11 -0.22 0.00 0.27 -0.55 0.00 0.00 175.29 174.89 3h4e n ASN 5 N 4.91 0.00 0.10 6.67 0.23 -0.21 -4.95 115.26 122.02 3h4e n ASN 5 Ca 0.01 -0.30 -0.16 0.00 -0.53 0.00 0.00 54.58 53.59 3h4e n ASN 5 Cb 0.50 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.07 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 0.49 0.00 -4.53 8.10 -1.98 -3.19 115.31 114.20 3h4e h LEU 6 Ca 0.00 -0.50 0.00 0.00 0.11 0.00 0.00 57.88 57.49 3h4e h LEU 6 Cb 0.00 -0.16 0.00 0.00 -0.44 0.00 0.00 40.66 40.06 3h4e h LEU 6 CO 0.00 1.36 0.00 0.00 -4.11 0.00 0.00 178.44 175.69 3h4e n GLN 7 N -3.60 0.88 -1.00 0.17 -0.00 -1.26 -4.85 117.38 107.72 3h4e n GLN 7 Ca -0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 57.00 56.91 3h4e n GLN 7 Cb 0.99 -1.25 -0.00 0.00 -0.00 0.00 0.00 30.24 29.98 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 0.58 0.47 3.87 2.61 0.00 -1.21 -5.04 105.19 106.47 3h4e n GLY 8 Ca 0.11 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 3h4e n GLY 8 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3h4e s GLN 9 N -0.62 3.71 -0.44 1.61 2.00 -1.26 -4.82 119.66 119.84 3h4e s GLN 9 Ca 0.00 0.09 -0.27 0.00 -2.00 0.00 0.00 55.36 53.18 3h4e s GLN 9 Cb 0.00 -2.99 0.02 0.00 0.80 0.00 0.00 33.01 30.85 3h4e s GLN 9 CO 0.00 0.56 1.02 -1.64 -0.50 0.00 0.00 175.29 174.73 3h4e s MET 10 N -2.00 3.72 0.24 1.67 -1.94 -1.26 -1.04 119.30 118.68 3h4e s MET 10 Ca 0.33 0.49 0.10 0.00 -1.71 0.00 0.00 55.69 54.90 3h4e s MET 10 Cb -0.13 -3.88 -0.05 0.00 2.01 0.00 0.00 34.83 32.78 3h4e s MET 10 CO 0.19 -1.20 -0.19 0.14 -0.01 0.00 0.00 175.02 173.95 3h4e s VAL 11 N 3.96 2.20 0.29 -6.03 -7.23 0.11 -4.93 120.40 108.78 3h4e s VAL 11 Ca 0.42 -2.25 -0.22 0.00 -1.81 0.00 0.00 61.98 58.12 3h4e s VAL 11 Cb -0.09 -2.16 -0.09 0.00 0.56 0.00 0.00 36.38 34.59 3h4e s VAL 11 CO 0.26 -0.40 0.84 -2.28 -0.31 0.00 0.00 175.10 173.21 3h4e s HIS 12 N -2.45 3.61 -0.07 2.82 2.46 -1.26 -1.18 115.29 119.22 3h4e s HIS 12 Ca 0.25 1.56 -0.04 0.00 0.47 0.00 0.00 55.06 57.30 3h4e s HIS 12 Cb -0.04 -2.76 0.03 0.00 -0.13 0.00 0.00 32.58 29.68 3h4e s HIS 12 CO 0.11 0.22 0.17 -1.14 -2.47 0.00 0.00 174.74 171.63 3h4e s GLN 13 N -2.21 0.15 0.38 2.88 0.74 -0.29 -4.94 119.66 116.37 3h4e s GLN 13 Ca 0.49 0.36 -0.27 0.00 0.05 0.00 0.00 55.36 55.99 3h4e s GLN 13 Cb -0.16 -0.08 -0.11 0.00 1.10 0.00 0.00 33.01 33.76 3h4e s GLN 13 CO 0.21 -0.12 1.29 0.00 -0.55 0.00 0.00 175.29 176.12 3h4e s ILE 15 N -1.15 2.24 0.18 0.00 2.07 -1.26 -4.59 121.20 118.70 3h4e s ILE 15 Ca 0.58 0.23 -0.09 0.00 -1.41 0.00 0.00 60.65 59.97 3h4e s ILE 15 Cb -0.53 -3.15 -0.07 0.00 0.13 0.00 0.00 42.46 38.84 3h4e s ILE 15 CO 0.60 0.05 0.48 -0.94 -1.91 0.00 0.00 174.94 173.23 3h4e s SER 16 N -0.11 6.60 0.40 4.50 1.04 -1.26 -4.97 113.70 119.90 3h4e s SER 16 Ca 0.54 0.82 0.17 0.00 0.48 0.00 0.00 55.95 57.96 3h4e s SER 16 Cb -0.45 -2.19 1.08 0.00 0.10 0.00 0.00 66.02 64.56 3h4e s SER 16 CO 0.58 -0.00 1.79 -0.65 0.98 0.00 0.00 173.24 175.94 3h4e h PRO 17 N 2.81 0.41 0.14 4.02 0.11 -1.99 -1.00 132.00 136.50 3h4e h PRO 17 Ca -0.47 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3h4e h PRO 17 Cb 1.17 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3h4e h PRO 17 CO 0.70 0.27 -0.07 0.00 -0.21 0.00 0.00 178.00 178.69 3h4e h ARG 18 N 0.42 -0.18 -0.24 1.05 3.08 -1.99 -2.07 114.38 114.45 3h4e h ARG 18 Ca 0.57 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.63 3h4e h ARG 18 Cb 1.40 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.48 3h4e h ARG 18 CO -0.28 -0.07 0.13 1.15 -1.07 0.00 0.00 179.97 179.84 3h4e h THR 19 N -0.26 1.11 -0.10 2.04 2.02 -1.72 -0.50 112.91 115.51 3h4e h THR 19 Ca -0.02 -0.30 0.04 0.00 0.77 0.00 0.00 66.41 66.90 3h4e h THR 19 Cb 0.20 0.87 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 3h4e h THR 19 CO 0.03 0.11 -0.18 -0.07 0.37 0.00 0.00 175.52 175.78 3h4e h LEU 20 N 0.28 -0.55 -0.52 2.58 3.38 -1.23 -2.19 115.31 117.07 3h4e h LEU 20 Ca 0.09 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 3h4e h LEU 20 Cb 0.06 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3h4e h LEU 20 CO -0.01 -0.23 0.24 -1.13 0.09 0.00 0.00 178.44 177.39 3h4e h ASN 21 N -0.24 0.69 -0.55 -0.43 -1.24 -1.29 -2.50 115.58 110.02 3h4e h ASN 21 Ca 0.09 -0.14 0.06 0.00 0.71 0.00 0.00 56.30 57.01 3h4e h ASN 21 Cb 0.37 -0.18 -0.05 0.00 0.73 0.00 0.00 38.32 39.19 3h4e h ASN 21 CO -0.24 0.64 0.26 0.00 -1.29 0.00 0.00 177.43 176.80 3h4e h ALA 22 N 1.08 0.70 -0.26 1.57 0.00 -0.82 -0.30 119.26 121.23 3h4e h ALA 22 Ca 0.18 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3h4e h ALA 22 Cb 0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3h4e h ALA 22 CO -0.02 -0.10 -0.07 2.35 0.00 0.00 0.00 179.25 181.41 3h4e h TRP 23 N 0.50 0.58 -0.91 0.00 2.91 -1.33 -1.71 115.95 115.99 3h4e h TRP 23 Ca 0.25 -0.13 0.03 0.00 1.13 0.00 0.00 58.89 60.17 3h4e h TRP 23 Cb 0.19 -0.14 -0.05 0.00 -0.51 0.00 0.00 29.16 28.65 3h4e h TRP 23 CO -0.11 0.73 0.59 0.28 -1.03 0.00 0.00 178.44 178.90 3h4e h VAL 24 N 0.26 1.18 -0.46 2.65 2.07 -1.18 -2.44 116.25 118.32 3h4e h VAL 24 Ca 0.07 -0.40 -0.10 0.00 0.82 0.00 0.00 66.70 67.08 3h4e h VAL 24 Cb 0.55 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 3h4e h VAL 24 CO 0.03 0.21 -0.12 0.11 0.02 0.00 0.00 177.57 177.82 3h4e h LYS 25 N 1.17 0.89 -0.59 1.57 1.79 -0.97 -1.90 116.57 118.55 3h4e h LYS 25 Ca 0.35 -0.35 0.05 0.00 -2.18 0.00 0.00 60.65 58.53 3h4e h LYS 25 Cb -0.05 -0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.50 3h4e h LYS 25 CO -0.10 0.99 0.30 0.28 -1.08 0.00 0.00 179.45 179.85 3h4e h VAL 26 N 0.73 0.95 -0.34 0.50 2.07 -1.08 0.17 116.25 119.26 3h4e h VAL 26 Ca 0.12 -0.20 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 3h4e h VAL 26 Cb 0.67 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3h4e h VAL 26 CO 0.05 0.10 -0.01 0.58 0.02 0.00 0.00 177.57 178.31 3h4e h VAL 27 N 0.57 1.26 -1.00 2.57 2.07 -1.37 0.39 116.25 120.74 3h4e h VAL 27 Ca 0.26 -1.00 0.03 0.00 0.82 0.00 0.00 66.70 66.81 3h4e h VAL 27 Cb 0.18 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 3h4e h VAL 27 CO -0.18 0.33 0.66 -0.33 0.02 0.00 0.00 177.57 178.06 3h4e h GLU 28 N 0.41 1.25 0.01 1.57 5.08 -0.68 -1.23 114.58 120.98 3h4e h GLU 28 Ca 0.09 -0.08 -0.28 0.00 -1.00 0.00 0.00 59.36 58.10 3h4e h GLU 28 Cb 0.48 -0.28 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 3h4e h GLU 28 CO 0.02 0.83 -1.59 0.93 -1.00 0.00 0.00 179.01 178.20 3h4e h GLU 29 N 1.29 0.03 0.00 2.33 5.08 -0.53 -3.40 114.58 119.38 3h4e h GLU 29 Ca 0.39 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3h4e h GLU 29 Cb -0.03 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3h4e h GLU 29 CO -0.12 0.66 0.00 1.63 -1.00 0.00 0.00 179.01 180.19 3h4e n LYS 30 N -3.15 0.25 0.00 2.33 4.76 0.11 -5.07 118.16 117.39 3h4e n LYS 30 Ca -0.15 -0.42 0.00 0.00 -2.87 0.00 0.00 58.31 54.88 3h4e n LYS 30 Cb 1.03 -0.92 0.00 0.00 -1.84 0.00 0.00 35.03 33.30 3h4e n LYS 30 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3h4e n ALA 31 N -0.15 0.00 -1.88 7.82 0.00 -0.47 -1.57 120.51 124.25 3h4e n ALA 31 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3h4e n ALA 31 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 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 12.34 1.87 -1.65 0.00 3.72 -1.26 -4.74 117.46 127.75 3h4e n PHE 32 Ca 0.00 -1.99 -0.40 0.00 -0.05 0.00 0.00 57.45 55.01 3h4e n PHE 32 Cb 0.00 -0.31 0.03 0.00 -0.94 0.00 0.00 39.48 38.26 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 -0.84 1.54 -0.32 4.37 2.88 -0.61 -4.56 113.62 116.08 3h4e n SER 33 Ca 0.36 0.96 0.13 0.00 -1.33 0.00 0.00 58.87 58.99 3h4e n SER 33 Cb 0.88 -1.42 0.30 0.00 -0.75 0.00 0.00 64.21 63.22 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 1.28 0.51 0.00 -1.46 0.11 -1.91 -1.88 132.00 128.65 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 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3h4e h PRO 34 CO 0.55 0.33 0.00 -0.85 -0.21 0.00 0.00 178.00 177.83 3h4e n GLU 35 N -4.95 0.10 0.23 1.05 0.00 -1.26 -1.97 120.64 113.84 3h4e n GLU 35 Ca 0.22 0.46 0.07 0.00 0.00 0.00 0.00 57.16 57.91 3h4e n GLU 35 Cb 0.61 -1.75 0.55 0.00 0.00 0.00 0.00 31.44 30.85 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 0.99 0.01 3.84 2.07 -1.69 -3.05 116.25 118.42 3h4e h VAL 36 Ca 0.00 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 3h4e h VAL 36 Cb 0.18 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3h4e h VAL 36 CO 0.00 0.19 -0.01 0.40 0.02 0.00 0.00 177.57 178.17 3h4e h ILE 37 N 0.00 1.41 -0.84 4.57 2.04 -1.60 -0.80 117.51 122.29 3h4e h ILE 37 Ca -0.00 -1.32 0.15 0.00 1.00 0.00 0.00 64.86 64.69 3h4e h ILE 37 Cb 0.38 2.30 -0.06 0.00 -0.74 0.00 0.00 36.82 38.69 3h4e h ILE 37 CO 0.03 0.34 0.55 -0.65 0.00 0.00 0.00 178.15 178.41 3h4e h PRO 38 N -0.59 0.53 -0.33 2.37 0.11 -1.74 -1.03 132.00 131.31 3h4e h PRO 38 Ca -0.00 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.96 3h4e h PRO 38 Cb 0.57 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 3h4e h PRO 38 CO 0.00 0.35 -0.28 1.98 -0.21 0.00 0.00 178.00 179.84 3h4e h MET 39 N 0.54 0.69 -0.34 1.05 4.05 -1.40 -2.18 114.93 117.34 3h4e h MET 39 Ca 0.42 -0.30 -0.11 0.00 -0.28 0.00 0.00 59.70 59.44 3h4e h MET 39 Cb 0.83 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.60 3h4e h MET 39 CO -0.17 0.89 -0.20 0.35 0.23 0.00 0.00 176.91 178.01 3h4e h PHE 40 N 0.59 0.85 -0.62 1.39 3.57 -0.16 -1.35 116.94 121.21 3h4e h PHE 40 Ca 0.07 -0.22 -0.05 0.00 3.53 0.00 0.00 57.97 61.30 3h4e h PHE 40 Cb 0.78 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 3h4e h PHE 40 CO 0.04 0.95 0.17 1.03 -2.23 0.00 0.00 178.31 178.27 3h4e h SER 41 N 0.51 0.89 -0.10 0.41 0.87 -1.13 -1.62 113.55 113.37 3h4e h SER 41 Ca 0.07 -0.16 -0.14 0.00 -1.23 0.00 0.00 61.79 60.33 3h4e h SER 41 Cb 0.75 -0.23 0.01 0.00 -0.44 0.00 0.00 62.40 62.48 3h4e h SER 41 CO 0.06 0.85 -0.49 0.00 -0.53 0.00 0.00 176.83 176.72 3h4e h ALA 42 N 1.27 0.20 0.00 6.23 0.00 -1.35 -3.00 119.26 122.61 3h4e h ALA 42 Ca 0.20 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3h4e h ALA 42 Cb 0.30 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3h4e h ALA 42 CO -0.00 0.37 -0.02 -0.07 0.00 0.00 0.00 179.25 179.53 3h4e h LEU 43 N 0.11 0.00 -3.29 0.00 3.38 -1.12 -2.32 115.31 112.07 3h4e h LEU 43 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3h4e h LEU 43 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3h4e h LEU 43 CO 0.10 0.02 0.00 -1.54 0.09 0.00 0.00 178.44 177.11 3h4e n SER 44 N -3.19 4.82 -4.68 -0.43 3.41 -0.62 -4.98 113.62 107.96 3h4e n SER 44 Ca -0.01 -2.69 -0.49 0.00 -0.26 0.00 0.00 58.87 55.42 3h4e n SER 44 Cb 0.19 -0.59 -0.05 0.00 -0.26 0.00 0.00 64.21 63.50 3h4e n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h4e n GLY 46 N 4.07 0.52 3.77 0.00 0.00 -1.26 -4.86 105.19 107.42 3h4e n GLY 46 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 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 3.17 0.54 4.61 0.00 -0.34 -0.70 121.76 126.95 3h4e s ALA 47 Ca 0.00 1.15 -0.09 0.00 0.00 0.00 0.00 51.96 53.02 3h4e s ALA 47 Cb 0.00 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 3h4e s ALA 47 CO 0.00 -0.78 0.91 0.95 0.00 0.00 0.00 175.76 176.83 3h4e s THR 48 N -1.33 4.79 0.33 0.00 -4.23 -1.26 -4.40 115.64 109.53 3h4e s THR 48 Ca 0.59 0.60 0.08 0.00 -1.18 0.00 0.00 61.69 61.78 3h4e s THR 48 Cb -0.36 -3.85 0.32 0.00 1.34 0.00 0.00 72.50 69.95 3h4e s THR 48 CO 0.45 -0.95 1.80 -0.65 -0.54 0.00 0.00 174.62 174.73 3h4e h PRO 49 N 0.09 0.69 -0.18 3.99 0.11 -1.85 0.41 132.00 135.26 3h4e h PRO 49 Ca -0.46 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.63 3h4e h PRO 49 Cb 1.20 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3h4e h PRO 49 CO 0.62 0.46 0.07 0.37 -0.21 0.00 0.00 178.00 179.31 3h4e h GLN 50 N 0.72 0.16 -0.61 1.05 4.15 -1.89 -0.41 115.11 118.27 3h4e h GLN 50 Ca 0.55 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 60.00 3h4e h GLN 50 Cb 0.92 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.52 3h4e h GLN 50 CO -0.32 0.10 0.35 -0.44 -1.93 0.00 0.00 178.83 176.59 3h4e h ASP 51 N 0.16 0.53 -0.46 -0.69 3.32 -1.46 0.28 116.42 118.11 3h4e h ASP 51 Ca 0.08 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.18 3h4e h ASP 51 Cb 0.04 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 3h4e h ASP 51 CO -0.07 0.36 0.23 -0.07 -1.72 0.00 0.00 179.24 177.97 3h4e h LEU 52 N 0.66 0.33 -1.05 1.55 3.38 -0.69 -1.41 115.31 118.08 3h4e h LEU 52 Ca 0.26 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 3h4e h LEU 52 Cb 0.11 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3h4e h LEU 52 CO -0.14 0.24 0.17 0.78 0.09 0.00 0.00 178.44 179.57 3h4e h ASN 53 N 0.46 0.79 -0.68 -0.43 2.35 -0.38 -2.28 115.58 115.41 3h4e h ASN 53 Ca 0.20 -0.13 0.04 0.00 -0.55 0.00 0.00 56.30 55.86 3h4e h ASN 53 Cb 0.10 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.22 3h4e h ASN 53 CO -0.14 0.75 0.41 0.74 -1.65 0.00 0.00 177.43 177.54 3h4e h THR 54 N 0.83 1.05 -0.32 2.81 2.02 -0.32 0.04 112.91 119.02 3h4e h THR 54 Ca 0.19 -0.27 -0.08 0.00 0.77 0.00 0.00 66.41 67.01 3h4e h THR 54 Cb 0.25 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3h4e h THR 54 CO -0.01 0.14 -0.13 0.24 0.37 0.00 0.00 175.52 176.14 3h4e h MET 55 N 0.79 0.65 0.11 6.66 2.86 -0.86 -2.23 114.93 122.90 3h4e h MET 55 Ca 0.28 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3h4e h MET 55 Cb 0.07 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.71 3h4e h MET 55 CO -0.13 0.86 -0.05 -0.07 1.06 0.00 0.00 176.91 178.58 3h4e h LEU 56 N 0.42 -0.12 -2.03 1.22 3.38 -1.27 -3.24 115.31 113.67 3h4e h LEU 56 Ca 0.08 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3h4e h LEU 56 Cb 0.65 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 3h4e h LEU 56 CO 0.04 0.04 -0.02 0.78 0.09 0.00 0.00 178.44 179.38 3h4e h ASN 57 N -0.28 0.00 0.73 -0.43 2.35 -0.94 -2.10 115.58 114.92 3h4e h ASN 57 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3h4e h ASN 57 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 3h4e h ASN 57 CO 0.02 0.02 0.00 0.35 -1.65 0.00 0.00 177.43 176.17 3h4e n THR 58 N -3.15 0.31 -2.39 2.81 -2.24 -0.85 -4.74 114.28 104.03 3h4e n THR 58 Ca -0.01 0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.42 3h4e n THR 58 Cb 0.22 -0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 67.76 3h4e n THR 58 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3h4e s VAL 59 N -2.89 4.07 -0.18 2.28 1.01 -0.79 -4.95 120.40 118.96 3h4e s VAL 59 Ca 0.15 1.43 -0.18 0.00 0.00 0.00 0.00 61.98 63.38 3h4e s VAL 59 Cb 0.16 -3.92 -0.22 0.00 0.00 0.00 0.00 36.38 32.40 3h4e s VAL 59 CO 0.42 0.02 0.30 1.23 0.00 0.00 0.00 175.10 177.08 3h4e h GLY 60 N 7.95 0.09 0.00 4.51 0.00 -1.89 -3.49 103.07 110.25 3h4e h GLY 60 Ca -0.37 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.74 3h4e h GLY 60 CO 0.87 0.20 0.00 0.61 0.00 0.00 0.00 176.54 178.22 3h4e n GLY 61 N 1.58 1.12 3.74 4.60 0.00 -1.26 -4.67 105.19 110.31 3h4e n GLY 61 Ca -0.31 -1.69 -0.28 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.66 0.24 1.61 8.25 -1.26 -4.80 115.22 117.60 3h4e n HIS 62 Ca 0.00 0.54 0.09 0.00 -0.26 0.00 0.00 57.72 58.09 3h4e n HIS 62 Cb 0.00 -2.43 0.59 0.00 1.12 0.00 0.00 29.99 29.27 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 -0.95 0.00 -0.06 -0.41 1.08 -1.95 -0.51 115.11 112.31 3h4e h GLN 63 Ca -0.45 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 56.76 3h4e h GLN 63 Cb 1.30 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.71 3h4e h GLN 63 CO 0.61 0.19 -0.04 0.00 -0.95 0.00 0.00 178.83 178.64 3h4e h ALA 64 N 1.81 0.01 -0.39 3.87 0.00 -1.99 0.05 119.26 122.62 3h4e h ALA 64 Ca -0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3h4e h ALA 64 Cb 0.45 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3h4e h ALA 64 CO 0.03 -0.52 0.19 0.00 0.00 0.00 0.00 179.25 178.95 3h4e h ALA 65 N 1.01 0.50 -0.44 0.00 0.00 -1.65 -1.69 119.26 116.98 3h4e h ALA 65 Ca 0.04 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.90 3h4e h ALA 65 Cb 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3h4e h ALA 65 CO -0.09 0.05 0.30 0.52 0.00 0.00 0.00 179.25 180.02 3h4e h MET 66 N 0.49 0.37 0.01 0.00 2.07 -0.93 -0.13 114.93 116.81 3h4e h MET 66 Ca 0.13 -0.02 -0.27 0.00 -2.07 0.00 0.00 59.70 57.47 3h4e h MET 66 Cb 0.10 -0.08 0.02 0.00 -1.87 0.00 0.00 31.60 29.77 3h4e h MET 66 CO -0.02 0.25 -1.05 0.37 1.07 0.00 0.00 176.91 177.53 3h4e h GLN 67 N 0.38 0.69 -0.77 1.72 5.75 -0.47 -2.13 115.11 120.28 3h4e h GLN 67 Ca 0.19 -0.75 0.02 0.00 -0.15 0.00 0.00 58.65 57.95 3h4e h GLN 67 Cb 0.26 0.22 -0.04 0.00 1.07 0.00 0.00 27.48 28.99 3h4e h GLN 67 CO -0.04 1.33 0.50 0.52 -2.65 0.00 0.00 178.83 178.48 3h4e h MET 68 N 0.39 0.97 -0.74 1.69 2.86 -0.68 -2.48 114.93 116.95 3h4e h MET 68 Ca -0.13 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.49 3h4e h MET 68 Cb 1.71 -0.22 -0.05 0.00 0.06 0.00 0.00 31.60 33.10 3h4e h MET 68 CO 0.21 0.64 0.45 1.25 1.06 0.00 0.00 176.91 180.52 3h4e h LEU 69 N 1.00 0.73 -0.67 1.22 5.85 -0.96 -1.32 115.31 121.17 3h4e h LEU 69 Ca 0.29 0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.07 3h4e h LEU 69 Cb -0.06 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 3h4e h LEU 69 CO -0.08 0.49 0.39 0.11 -0.34 0.00 0.00 178.44 179.01 3h4e h LYS 70 N 0.87 0.71 -0.11 1.25 1.57 -0.95 -0.84 116.57 119.07 3h4e h LYS 70 Ca 0.31 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 3h4e h LYS 70 Cb 0.08 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3h4e h LYS 70 CO -0.13 0.47 0.05 0.93 -0.57 0.00 0.00 179.45 180.20 3h4e h GLU 71 N 0.74 0.17 -0.40 3.15 5.08 -1.02 -0.65 114.58 121.64 3h4e h GLU 71 Ca 0.29 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.69 3h4e h GLU 71 Cb 0.13 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 3h4e h GLU 71 CO -0.15 0.25 0.03 1.15 -1.00 0.00 0.00 179.01 179.28 3h4e h THR 72 N 0.04 0.73 -0.36 1.13 2.02 -1.07 -0.67 112.91 114.74 3h4e h THR 72 Ca 0.04 -0.05 0.07 0.00 0.77 0.00 0.00 66.41 67.24 3h4e h THR 72 Cb 0.14 0.58 -0.06 0.00 -1.74 0.00 0.00 68.15 67.07 3h4e h THR 72 CO -0.00 0.03 -0.00 0.40 0.37 0.00 0.00 175.52 176.31 3h4e h ILE 73 N 0.14 0.73 -0.87 3.11 2.04 -0.98 -1.63 117.51 120.05 3h4e h ILE 73 Ca 0.20 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 66.06 3h4e h ILE 73 Cb 0.27 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 3h4e h ILE 73 CO -0.30 0.02 0.57 0.78 0.00 0.00 0.00 178.15 179.21 3h4e h ASN 74 N 0.10 0.92 0.33 1.72 2.35 -0.57 0.09 115.58 120.52 3h4e h ASN 74 Ca 0.18 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 3h4e h ASN 74 Cb 0.25 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3h4e h ASN 74 CO -0.30 0.63 -0.16 -0.33 -1.65 0.00 0.00 177.43 175.62 3h4e h GLU 75 N 1.06 -0.43 -0.82 0.81 5.08 -0.69 -1.27 114.58 118.32 3h4e h GLU 75 Ca 0.35 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.78 3h4e h GLU 75 Cb 0.05 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 3h4e h GLU 75 CO -0.11 -0.26 0.54 0.93 -1.00 0.00 0.00 179.01 179.11 3h4e h GLU 76 N -0.48 0.94 -0.61 2.33 4.39 -0.90 -0.58 114.58 119.68 3h4e h GLU 76 Ca -0.05 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.54 3h4e h GLU 76 Cb 0.36 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 3h4e h GLU 76 CO 0.07 0.63 0.17 0.00 -1.16 0.00 0.00 179.01 178.72 3h4e h ALA 77 N 1.53 0.80 -0.41 3.43 0.00 -0.78 -0.55 119.26 123.28 3h4e h ALA 77 Ca 0.34 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3h4e h ALA 77 Cb 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3h4e h ALA 77 CO -0.11 0.49 -0.02 0.00 0.00 0.00 0.00 179.25 179.61 3h4e h ALA 78 N 1.05 0.56 -0.78 0.00 0.00 -0.63 -1.55 119.26 117.91 3h4e h ALA 78 Ca 0.19 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3h4e h ALA 78 Cb 0.32 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3h4e h ALA 78 CO -0.00 0.36 0.52 1.49 0.00 0.00 0.00 179.25 181.61 3h4e h GLU 79 N 0.57 0.99 -0.43 0.00 4.57 -0.93 -0.59 114.58 118.76 3h4e h GLU 79 Ca 0.11 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.17 3h4e h GLU 79 Cb 0.51 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 3h4e h GLU 79 CO 0.02 0.66 0.02 2.35 -1.18 0.00 0.00 179.01 180.88 3h4e h TRP 80 N 1.02 0.81 -0.56 0.92 2.91 -0.72 -2.29 115.95 118.05 3h4e h TRP 80 Ca 0.30 -0.13 -0.07 0.00 1.13 0.00 0.00 58.89 60.12 3h4e h TRP 80 Cb -0.06 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 28.35 3h4e h TRP 80 CO -0.00 0.80 0.09 -0.44 -1.03 0.00 0.00 178.44 177.85 3h4e h ASP 81 N 0.59 0.86 -0.64 2.65 3.32 -0.76 0.14 116.42 122.57 3h4e h ASP 81 Ca 0.12 -0.18 0.03 0.00 0.02 0.00 0.00 57.03 57.02 3h4e h ASP 81 Cb 0.46 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 3h4e h ASP 81 CO 0.02 0.87 0.39 -0.09 -1.72 0.00 0.00 179.24 178.70 3h4e h ARG 82 N 0.86 0.74 0.00 3.56 2.43 -0.92 -2.91 114.38 118.13 3h4e h ARG 82 Ca 0.18 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3h4e h ARG 82 Cb 0.38 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3h4e h ARG 82 CO 0.01 0.49 -0.41 1.28 -1.51 0.00 0.00 179.97 179.83 3h4e n LEU 83 N -4.72 0.43 -3.15 3.80 4.77 -0.88 -4.47 117.00 112.77 3h4e n LEU 83 Ca 0.06 0.13 -0.20 0.00 -0.03 0.00 0.00 56.01 55.98 3h4e n LEU 83 Cb 0.10 -0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 40.86 3h4e n LEU 83 CO 0.32 0.08 -0.22 1.41 -1.33 0.00 0.00 177.39 177.65 3h4e n HIS 84 N -1.58 -0.31 -0.82 -1.77 8.25 0.44 -5.08 115.22 114.36 3h4e n HIS 84 Ca 0.06 -3.56 -0.32 0.00 -0.26 0.00 0.00 57.72 53.63 3h4e n HIS 84 Cb 0.35 -0.22 0.14 0.00 1.12 0.00 0.00 29.99 31.38 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 0.78 -0.25 -4.12 -0.41 -0.02 -1.15 -4.70 135.00 125.11 3h4e n PRO 85 Ca 0.22 -0.01 -0.34 0.00 -2.02 0.00 0.00 63.50 61.34 3h4e n PRO 85 Cb 0.61 -2.21 -0.11 0.00 -0.02 0.00 0.00 33.50 31.77 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 -2.43 4.39 0.17 -1.45 1.01 -1.26 -5.08 120.40 115.74 3h4e s VAL 86 Ca 0.65 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.16 3h4e s VAL 86 Cb -0.24 -2.97 -0.08 0.00 0.00 0.00 0.00 36.38 33.10 3h4e s VAL 86 CO 0.59 0.46 1.09 -1.00 0.00 0.00 0.00 175.10 176.24 3h4e s HIS 87 N 0.53 3.62 0.75 5.22 3.76 -1.26 -5.03 115.29 122.88 3h4e s HIS 87 Ca 0.01 1.62 -0.11 0.00 -0.15 0.00 0.00 55.06 56.43 3h4e s HIS 87 Cb -0.13 -3.25 0.04 0.00 1.11 0.00 0.00 32.58 30.34 3h4e s HIS 87 CO 0.02 -0.52 1.08 0.00 -0.85 0.00 0.00 174.74 174.47 3h4e s ALA 88 N -0.25 2.43 0.00 -1.40 0.00 -1.26 -4.95 121.76 116.33 3h4e s ALA 88 Ca 0.49 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.52 3h4e s ALA 88 Cb -0.29 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.64 3h4e s ALA 88 CO 0.34 -1.52 0.00 0.41 0.00 0.00 0.00 175.76 174.99 3h4e n GLY 89 N -1.76 0.86 3.87 0.00 0.00 -1.26 -5.06 105.19 101.83 3h4e n GLY 89 Ca 0.08 -2.24 -0.31 0.00 0.00 0.00 0.00 46.02 43.55 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 -1.11 3.86 0.13 1.61 0.05 -1.26 -5.05 135.00 133.23 3h4e s PRO 90 Ca 0.00 0.50 -0.25 0.00 0.05 0.00 0.00 61.00 61.30 3h4e s PRO 90 Cb 0.00 -2.44 -0.07 0.00 0.05 0.00 0.00 34.50 32.04 3h4e s PRO 90 CO 0.00 0.08 0.77 0.42 0.05 0.00 0.00 177.00 178.32 3h4e s ILE 91 N -2.16 4.49 0.45 0.56 1.09 -1.26 -5.05 121.20 119.32 3h4e s ILE 91 Ca 0.52 1.68 -0.23 0.00 -1.10 0.00 0.00 60.65 61.51 3h4e s ILE 91 Cb -0.10 -4.13 -0.08 0.00 -1.06 0.00 0.00 42.46 37.09 3h4e s ILE 91 CO 0.25 0.47 1.13 0.00 -0.10 0.00 0.00 174.94 176.69 3h4e s ALA 92 N -0.79 2.99 0.20 9.38 0.00 -1.26 -4.97 121.76 127.31 3h4e s ALA 92 Ca 0.37 0.85 -0.32 0.00 0.00 0.00 0.00 51.96 52.86 3h4e s ALA 92 Cb -0.22 -3.35 -0.11 0.00 0.00 0.00 0.00 23.12 19.44 3h4e s ALA 92 CO 0.25 -0.53 1.63 -1.25 0.00 0.00 0.00 175.76 175.87 3h4e s PRO 93 N -2.69 4.17 0.00 0.00 0.04 -1.26 -1.57 135.00 133.69 3h4e s PRO 93 Ca 0.62 2.48 0.00 0.00 0.04 0.00 0.00 61.00 64.14 3h4e s PRO 93 Cb -0.26 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.17 3h4e s PRO 93 CO 0.32 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 177.10 3h4e n GLY 94 N 3.68 0.66 3.47 0.56 0.00 -1.26 -5.06 105.19 107.23 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 -0.31 1.65 0.02 1.61 -1.52 -0.61 -5.13 119.66 115.36 3h4e s GLN 95 Ca 0.00 -1.79 0.00 0.00 -1.95 0.00 0.00 55.36 51.62 3h4e s GLN 95 Cb 0.00 -1.55 -0.04 0.00 -0.22 0.00 0.00 33.01 31.20 3h4e s GLN 95 CO 0.00 0.21 0.09 -1.64 -0.25 0.00 0.00 175.29 173.70 3h4e s MET 96 N -3.59 3.05 0.76 2.91 -1.94 -1.26 -4.84 119.30 114.39 3h4e s MET 96 Ca 0.29 -0.53 -0.14 0.00 -1.71 0.00 0.00 55.69 53.60 3h4e s MET 96 Cb -0.01 -2.84 0.06 0.00 2.01 0.00 0.00 34.83 34.05 3h4e s MET 96 CO 0.14 0.63 1.20 -0.98 -0.01 0.00 0.00 175.02 176.00 3h4e s ARG 97 N -1.95 1.93 0.21 2.03 1.70 -1.26 -4.96 118.95 116.65 3h4e s ARG 97 Ca 0.25 1.75 -0.30 0.00 -0.47 0.00 0.00 55.73 56.96 3h4e s ARG 97 Cb -0.12 -1.81 -0.08 0.00 -0.57 0.00 0.00 34.95 32.37 3h4e s ARG 97 CO 0.17 -1.99 1.07 -1.21 -1.08 0.00 0.00 175.30 172.25 3h4e s GLU 98 N -4.03 4.66 -0.16 3.89 2.02 -1.26 -5.00 118.70 118.82 3h4e s GLU 98 Ca 0.74 1.69 -0.29 0.00 0.02 0.00 0.00 54.97 57.13 3h4e s GLU 98 Cb -0.29 -3.26 -0.01 0.00 0.10 0.00 0.00 34.13 30.68 3h4e s GLU 98 CO 0.48 0.20 1.14 -1.25 0.02 0.00 0.00 175.26 175.84 3h4e s PRO 99 N -0.81 4.29 1.02 0.39 0.05 -1.26 -5.01 135.00 133.68 3h4e s PRO 99 Ca 0.46 1.52 -0.14 0.00 0.05 0.00 0.00 61.00 62.89 3h4e s PRO 99 Cb -0.29 -3.66 0.20 0.00 0.05 0.00 0.00 34.50 30.80 3h4e s PRO 99 CO 0.36 -0.58 1.12 1.03 0.05 0.00 0.00 177.00 178.98 3h4e s ARG 100 N 2.97 0.24 0.22 4.56 0.52 -1.26 -4.88 118.95 121.32 3h4e s ARG 100 Ca 0.50 0.26 -0.08 0.00 -0.52 0.00 0.00 55.73 55.89 3h4e s ARG 100 Cb -0.19 -1.74 0.27 0.00 0.52 0.00 0.00 34.95 33.81 3h4e s ARG 100 CO 0.13 -2.80 1.84 0.78 0.02 0.00 0.00 175.30 175.27 3h4e h GLY 101 N -1.94 1.13 2.00 -3.53 0.00 -1.92 -1.70 103.07 97.11 3h4e h GLY 101 Ca -0.51 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.48 3h4e h GLY 101 CO 0.53 0.24 0.00 1.48 0.00 0.00 0.00 176.54 178.79 3h4e h SER 102 N 0.86 0.00 -0.18 0.19 4.64 -1.93 -2.44 113.55 114.69 3h4e h SER 102 Ca 0.33 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.54 3h4e h SER 102 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3h4e h SER 102 CO -0.16 0.00 -0.31 0.44 -0.87 0.00 0.00 176.83 175.93 3h4e h ASP 103 N 0.00 0.58 0.19 4.97 3.32 -1.65 -0.82 116.42 123.01 3h4e h ASP 103 Ca 0.00 -0.54 -0.06 0.00 0.02 0.00 0.00 57.03 56.45 3h4e h ASP 103 Cb 0.59 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 3h4e h ASP 103 CO 0.00 1.01 -0.24 0.40 -1.72 0.00 0.00 179.24 178.69 3h4e h ILE 104 N 0.17 1.20 -0.18 0.35 2.04 -1.07 -1.76 117.51 118.26 3h4e h ILE 104 Ca 0.01 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 64.94 3h4e h ILE 104 Cb 0.90 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 3h4e h ILE 104 CO 0.07 0.28 0.00 0.00 0.00 0.00 0.00 178.15 178.50 3h4e n ALA 105 N -2.49 2.51 -1.03 1.87 0.00 -0.96 -4.61 120.51 115.80 3h4e n ALA 105 Ca -0.02 -0.45 -0.01 0.00 0.00 0.00 0.00 53.44 52.97 3h4e n ALA 105 Cb 0.32 -1.08 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 3h4e n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h4e n GLY 106 N 1.01 0.42 0.14 0.00 0.00 -0.66 -4.88 105.19 101.21 3h4e n GLY 106 Ca 0.13 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.39 112.91 113.96 3h4e h THR 107 Ca -0.02 -2.68 0.00 0.00 0.77 0.00 0.00 66.41 64.47 3h4e h THR 107 Cb 0.38 2.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.73 3h4e h THR 107 CO 0.03 0.83 0.00 0.35 0.37 0.00 0.00 175.52 177.11 3h4e n THR 108 N -3.65 0.87 -4.31 3.16 -2.24 -0.93 -5.01 114.28 102.17 3h4e n THR 108 Ca -0.18 -0.92 -0.29 0.00 -2.27 0.00 0.00 64.05 60.39 3h4e n THR 108 Cb 1.09 0.57 -0.11 0.00 -2.10 0.00 0.00 70.33 69.78 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 -0.87 3.91 0.59 3.42 1.04 -1.26 -4.85 113.70 115.67 3h4e s SER 109 Ca 0.00 -0.60 -0.04 0.00 0.48 0.00 0.00 55.95 55.79 3h4e s SER 109 Cb 0.00 -0.55 0.02 0.00 0.10 0.00 0.00 66.02 65.59 3h4e s SER 109 CO 0.00 0.16 0.88 0.42 0.98 0.00 0.00 173.24 175.68 3h4e s THR 110 N -1.30 3.29 0.18 2.02 -4.23 -1.26 -4.87 115.64 109.47 3h4e s THR 110 Ca 0.19 -0.20 -0.13 0.00 -1.18 0.00 0.00 61.69 60.37 3h4e s THR 110 Cb -0.10 -3.31 0.08 0.00 1.34 0.00 0.00 72.50 70.52 3h4e s THR 110 CO 0.11 -0.29 1.82 0.25 -0.54 0.00 0.00 174.62 175.97 3h4e h LEU 111 N -0.16 0.53 -0.90 4.79 5.85 -1.99 -1.50 115.31 121.93 3h4e h LEU 111 Ca -0.45 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.38 3h4e h LEU 111 Cb 1.27 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 42.12 3h4e h LEU 111 CO 0.59 0.37 0.54 1.56 -0.34 0.00 0.00 178.44 181.16 3h4e h GLN 112 N 0.65 0.85 -0.18 1.25 7.50 -1.99 0.43 115.11 123.61 3h4e h GLN 112 Ca 0.22 -0.05 -0.07 0.00 0.50 0.00 0.00 58.65 59.25 3h4e h GLN 112 Cb 0.03 -0.19 -0.00 0.00 0.05 0.00 0.00 27.48 27.36 3h4e h GLN 112 CO -0.10 0.56 -0.14 0.93 -1.50 0.00 0.00 178.83 178.58 3h4e h GLU 113 N 0.87 0.42 -0.52 1.46 5.08 -1.82 0.32 114.58 120.40 3h4e h GLU 113 Ca 0.44 -0.21 0.08 0.00 -1.00 0.00 0.00 59.36 58.67 3h4e h GLU 113 Cb 0.41 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.59 3h4e h GLU 113 CO -0.26 0.76 0.14 1.96 -1.00 0.00 0.00 179.01 180.62 3h4e h GLN 114 N 0.09 0.28 -0.67 2.33 4.20 -0.72 0.63 115.11 121.25 3h4e h GLN 114 Ca 0.03 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 3h4e h GLN 114 Cb 0.67 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 3h4e h GLN 114 CO 0.04 0.19 0.27 0.82 -0.67 0.00 0.00 178.83 179.47 3h4e h ILE 115 N 0.29 1.24 -0.52 2.54 2.04 -0.79 -1.34 117.51 120.97 3h4e h ILE 115 Ca 0.26 -0.75 0.07 0.00 1.00 0.00 0.00 64.86 65.44 3h4e h ILE 115 Cb 0.32 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 3h4e h ILE 115 CO -0.30 0.30 0.18 1.23 0.00 0.00 0.00 178.15 179.56 3h4e h GLY 116 N 0.95 0.69 0.88 5.37 0.00 0.12 -1.38 103.07 109.70 3h4e h GLY 116 Ca 0.22 -0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.39 3h4e h GLY 116 CO -0.02 -0.00 -0.10 1.49 0.00 0.00 0.00 176.54 177.91 3h4e h TRP 117 N 0.35 0.63 0.00 5.60 6.55 -0.55 -2.32 115.95 126.21 3h4e h TRP 117 Ca 0.25 -0.15 -0.08 0.00 0.95 0.00 0.00 58.89 59.87 3h4e h TRP 117 Cb 0.28 -0.15 -0.01 0.00 -0.86 0.00 0.00 29.16 28.42 3h4e h TRP 117 CO -0.17 0.78 -0.38 0.52 -1.05 0.00 0.00 178.44 178.14 3h4e h MET 118 N 0.31 0.00 -0.41 0.49 2.86 -0.88 0.12 114.93 117.42 3h4e h MET 118 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3h4e h MET 118 Cb 0.59 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.25 3h4e h MET 118 CO 0.03 0.38 0.00 0.25 1.06 0.00 0.00 176.91 178.64 3h4e n THR 119 N -3.63 1.05 -1.35 2.22 -2.24 -0.55 -4.66 114.28 105.11 3h4e n THR 119 Ca -0.01 -1.03 -0.30 0.00 -2.27 0.00 0.00 64.05 60.44 3h4e n THR 119 Cb 0.49 0.47 0.10 0.00 -2.10 0.00 0.00 70.33 69.29 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 -1.07 2.65 -0.29 4.78 5.04 -0.88 -4.90 115.29 120.62 3h4e s HIS 120 Ca 0.28 1.38 0.03 0.00 -1.54 0.00 0.00 55.06 55.20 3h4e s HIS 120 Cb 0.15 -3.06 0.08 0.00 0.04 0.00 0.00 32.58 29.79 3h4e s HIS 120 CO 0.18 -1.86 -0.03 0.54 -2.34 0.00 0.00 174.74 171.24 3h4e s ASN 121 N -3.57 4.46 0.52 9.88 4.22 -1.26 -0.84 114.94 128.35 3h4e s ASN 121 Ca 0.61 -1.66 -0.13 0.00 -2.14 0.00 0.00 52.86 49.54 3h4e s ASN 121 Cb -0.16 -1.49 -0.06 0.00 1.28 0.00 0.00 41.25 40.81 3h4e s ASN 121 CO 0.56 -0.28 0.93 -2.16 -2.04 0.00 0.00 177.10 174.11 3h4e s PRO 122 N 1.10 3.78 0.54 3.55 0.05 -1.26 -5.14 135.00 137.61 3h4e s PRO 122 Ca -0.00 0.73 -0.19 0.00 0.05 0.00 0.00 61.00 61.59 3h4e s PRO 122 Cb -0.19 -2.19 -0.06 0.00 0.05 0.00 0.00 34.50 32.10 3h4e s PRO 122 CO -0.07 -0.30 1.10 -2.14 0.05 0.00 0.00 177.00 175.64 3h4e s PRO 123 N -4.39 3.44 -0.37 0.56 0.02 -0.02 -5.01 135.00 129.22 3h4e s PRO 123 Ca 0.55 1.50 -0.06 0.00 0.02 0.00 0.00 61.00 63.02 3h4e s PRO 123 Cb -0.10 -2.03 0.07 0.00 0.02 0.00 0.00 34.50 32.46 3h4e s PRO 123 CO 0.39 -0.76 0.16 0.42 -0.33 0.00 0.00 177.00 176.87 3h4e s ILE 124 N -1.91 3.69 -1.35 2.83 1.01 0.01 -4.98 121.20 120.50 3h4e s ILE 124 Ca 0.70 -1.45 -0.14 0.00 0.00 0.00 0.00 60.65 59.76 3h4e s ILE 124 Cb -0.21 -3.23 -0.01 0.00 0.01 0.00 0.00 42.46 39.01 3h4e s ILE 124 CO 0.27 -0.38 2.28 -0.81 0.00 0.00 0.00 174.94 176.30 3h4e n PRO 125 N 4.77 2.71 0.26 2.79 -0.05 -1.26 -3.59 135.00 140.63 3h4e n PRO 125 Ca -0.10 -2.37 0.08 0.00 -0.05 0.00 0.00 63.50 61.06 3h4e n PRO 125 Cb 0.43 -3.13 0.64 0.00 -0.05 0.00 0.00 33.50 31.39 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 1.00 -0.41 0.52 -1.51 -1.91 -1.36 116.25 116.51 3h4e h VAL 126 Ca 0.58 -0.01 -0.06 0.00 -1.23 0.00 0.00 66.70 65.99 3h4e h VAL 126 Cb 0.58 1.00 -0.02 0.00 -2.13 0.00 0.00 31.29 30.72 3h4e h VAL 126 CO 1.87 0.00 0.02 1.23 -1.23 0.00 0.00 177.57 179.46 3h4e h GLY 127 N 0.01 0.77 2.00 5.19 0.00 -1.84 -1.35 103.07 107.85 3h4e h GLY 127 Ca 0.00 -0.55 -0.14 0.00 0.00 0.00 0.00 47.33 46.64 3h4e h GLY 127 CO 0.00 0.51 -0.65 0.83 0.00 0.00 0.00 176.54 177.23 3h4e h GLU 128 N 0.55 0.00 -0.06 4.80 4.39 -1.55 -0.74 114.58 121.97 3h4e h GLU 128 Ca 0.12 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 3h4e h GLU 128 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3h4e h GLU 128 CO 0.02 0.65 -0.10 0.82 -1.16 0.00 0.00 179.01 179.24 3h4e h ILE 129 N 0.00 1.42 -0.57 3.13 2.04 -1.26 -2.48 117.51 119.79 3h4e h ILE 129 Ca -0.01 -1.39 0.01 0.00 1.00 0.00 0.00 64.86 64.47 3h4e h ILE 129 Cb 1.16 2.21 -0.03 0.00 -0.74 0.00 0.00 36.82 39.42 3h4e h ILE 129 CO 0.08 0.38 0.37 0.22 0.00 0.00 0.00 178.15 179.21 3h4e h TYR 130 N -0.33 0.70 -0.95 1.37 3.20 -1.20 -2.31 116.97 117.45 3h4e h TYR 130 Ca 0.00 0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.98 3h4e h TYR 130 Cb 0.67 -0.23 -0.07 0.00 1.54 0.00 0.00 36.73 38.64 3h4e h TYR 130 CO 0.11 0.43 0.61 -0.22 -1.64 0.00 0.00 178.16 177.45 3h4e h LYS 131 N 0.75 0.98 -0.73 1.82 3.64 -1.13 -1.34 116.57 120.55 3h4e h LYS 131 Ca 0.22 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 3h4e h LYS 131 Cb -0.06 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.51 3h4e h LYS 131 CO -0.06 0.65 0.33 -0.09 -2.27 0.00 0.00 179.45 178.01 3h4e h ARG 132 N 1.01 1.06 -0.20 1.90 2.43 -0.94 -0.86 114.38 118.77 3h4e h ARG 132 Ca 0.44 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.43 3h4e h ARG 132 Cb 0.34 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3h4e h ARG 132 CO -0.19 0.84 0.09 -1.49 -1.51 0.00 0.00 179.97 177.70 3h4e h TRP 133 N 1.02 0.31 -0.63 2.20 6.55 -1.04 -1.77 115.95 122.59 3h4e h TRP 133 Ca 0.25 -0.02 0.03 0.00 0.95 0.00 0.00 58.89 60.10 3h4e h TRP 133 Cb 0.15 -0.09 -0.04 0.00 -0.86 0.00 0.00 29.16 28.31 3h4e h TRP 133 CO 0.01 0.35 0.39 0.82 -1.05 0.00 0.00 178.44 178.95 3h4e h ILE 134 N 0.18 1.07 -0.51 1.49 2.04 -1.04 -1.63 117.51 119.11 3h4e h ILE 134 Ca 0.07 -0.26 -0.07 0.00 1.00 0.00 0.00 64.86 65.60 3h4e h ILE 134 Cb 0.16 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 3h4e h ILE 134 CO -0.01 0.14 0.04 0.40 0.00 0.00 0.00 178.15 178.72 3h4e h ILE 135 N 0.76 1.24 -0.10 -0.67 2.04 -1.08 0.21 117.51 119.91 3h4e h ILE 135 Ca 0.26 -0.97 0.04 0.00 1.00 0.00 0.00 64.86 65.19 3h4e h ILE 135 Cb 0.03 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 3h4e h ILE 135 CO -0.11 0.35 -0.20 -0.07 0.00 0.00 0.00 178.15 178.12 3h4e h LEU 136 N 0.78 -0.61 -0.63 1.44 3.38 -0.62 -0.04 115.31 119.02 3h4e h LEU 136 Ca 0.16 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3h4e h LEU 136 Cb 0.42 0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 3h4e h LEU 136 CO 0.01 -0.25 0.39 1.23 0.09 0.00 0.00 178.44 179.92 3h4e h GLY 137 N -0.27 0.90 1.18 0.83 0.00 -0.73 -2.58 103.07 102.40 3h4e h GLY 137 Ca 0.09 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 3h4e h GLY 137 CO -0.26 0.35 0.49 1.41 0.00 0.00 0.00 176.54 178.53 3h4e h LEU 138 N 0.85 0.96 -0.71 3.11 3.38 -0.33 -2.17 115.31 120.41 3h4e h LEU 138 Ca 0.23 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3h4e h LEU 138 Cb -0.06 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 3h4e h LEU 138 CO -0.05 0.74 0.40 0.78 0.09 0.00 0.00 178.44 180.40 3h4e h ASN 139 N 1.11 0.88 -0.15 -0.43 2.35 -0.66 -0.60 115.58 118.09 3h4e h ASN 139 Ca 0.29 -0.09 0.03 0.00 -0.55 0.00 0.00 56.30 55.98 3h4e h ASN 139 Cb -0.05 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.07 3h4e h ASN 139 CO -0.06 0.72 -0.02 0.11 -1.65 0.00 0.00 177.43 176.53 3h4e h LYS 140 N 0.98 0.02 -0.86 0.81 1.57 -1.07 -2.03 116.57 115.98 3h4e h LYS 140 Ca 0.25 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.05 3h4e h LYS 140 Cb 0.03 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 3h4e h LYS 140 CO -0.04 0.01 0.56 0.82 -0.57 0.00 0.00 179.45 180.24 3h4e h ILE 141 N 0.02 1.17 -0.34 1.86 2.04 -1.06 -1.45 117.51 119.76 3h4e h ILE 141 Ca 0.07 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 3h4e h ILE 141 Cb 0.10 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.12 3h4e h ILE 141 CO -0.13 0.20 0.20 0.58 0.00 0.00 0.00 178.15 179.00 3h4e h VAL 142 N 1.12 1.11 -0.54 1.67 2.07 -0.79 -0.65 116.25 120.25 3h4e h VAL 142 Ca 0.33 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.61 3h4e h VAL 142 Cb -0.05 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3h4e h VAL 142 CO -0.10 0.11 0.33 0.03 0.02 0.00 0.00 177.57 177.96 3h4e h ARG 143 N 0.44 0.63 -0.60 1.57 3.08 -1.01 -2.57 114.38 115.92 3h4e h ARG 143 Ca 0.12 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 3h4e h ARG 143 Cb 0.01 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 3h4e h ARG 143 CO -0.02 0.42 0.25 0.52 -1.07 0.00 0.00 179.97 180.06 3h4e h MET 144 N 0.65 0.90 0.00 0.04 2.86 -1.01 -2.66 114.93 115.71 3h4e h MET 144 Ca 0.22 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3h4e h MET 144 Cb 0.01 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.52 3h4e h MET 144 CO -0.09 0.76 0.00 0.66 1.06 0.00 0.00 176.91 179.30 3h4e n TYR 145 N -4.46 0.00 -1.80 -0.22 4.02 -0.27 -4.80 117.16 109.62 3h4e n TYR 145 Ca 0.04 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.50 3h4e n TYR 145 Cb 0.16 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.45 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 -1.95 6.17 0.00 7.72 0.15 -0.99 -4.87 113.70 119.93 3h4e s SER 146 Ca 0.45 2.13 0.27 0.00 0.70 0.00 0.00 55.95 59.51 3h4e s SER 146 Cb 0.21 -2.53 1.41 0.00 -1.71 0.00 0.00 66.02 63.40 3h4e s SER 146 CO 0.35 -1.35 1.92 -0.81 1.20 0.00 0.00 173.24 174.55 3h4e n PRO 147 N 7.88 0.48 -3.68 5.44 -0.05 -1.26 -4.84 135.00 138.97 3h4e n PRO 147 Ca 0.22 0.03 -0.11 0.00 -0.05 0.00 0.00 63.50 63.59 3h4e n PRO 147 Cb 0.43 -1.50 -0.09 0.00 -0.05 0.00 0.00 33.50 32.29 3h4e n PRO 147 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 175.50 176.44 3h4e s THR 148 N -2.45 -0.01 0.42 0.52 2.01 -1.26 -5.15 115.64 109.72 3h4e s THR 148 Ca 0.29 0.03 -0.23 0.00 0.31 0.00 0.00 61.69 62.08 3h4e s THR 148 Cb 0.18 -0.75 -0.09 0.00 0.01 0.00 0.00 72.50 71.85 3h4e s THR 148 CO 0.39 0.01 1.06 -0.55 -0.69 0.00 0.00 174.62 174.84 3h4e s SER 149 N 0.98 6.64 0.57 3.53 0.15 -1.26 -4.90 113.70 119.41 3h4e s SER 149 Ca -0.06 2.05 0.34 0.00 0.70 0.00 0.00 55.95 58.99 3h4e s SER 149 Cb -0.06 -2.58 1.72 0.00 -1.71 0.00 0.00 66.02 63.39 3h4e s SER 149 CO -0.09 -0.57 2.14 -0.29 1.20 0.00 0.00 173.24 175.63 3h4e h ILE 150 N 2.08 0.25 0.00 6.45 6.09 -1.96 -2.38 117.51 128.04 3h4e h ILE 150 Ca -0.49 -0.37 0.00 0.00 -1.37 0.00 0.00 64.86 62.64 3h4e h ILE 150 Cb 1.22 1.28 0.00 0.00 0.47 0.00 0.00 36.82 39.79 3h4e h ILE 150 CO 0.62 0.05 0.00 -0.07 -3.07 0.00 0.00 178.15 175.68 3h4e h LEU 151 N 0.00 0.00 -1.77 2.19 3.38 -2.01 -2.91 115.31 114.18 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 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 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 -2.79 2.65 -4.48 -0.43 8.00 -0.89 -4.82 116.55 113.79 3h4e n ASP 152 Ca 0.02 -1.88 -0.43 0.00 0.71 0.00 0.00 54.79 53.20 3h4e n ASP 152 Cb 0.31 -0.19 -0.06 0.00 -0.02 0.00 0.00 41.12 41.16 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 -1.62 4.75 -0.02 0.53 -1.09 -1.10 -5.03 121.20 117.62 3h4e s ILE 153 Ca 0.35 -0.15 0.02 0.00 -2.23 0.00 0.00 60.65 58.64 3h4e s ILE 153 Cb 0.20 -4.33 0.00 0.00 -1.58 0.00 0.00 42.46 36.76 3h4e s ILE 153 CO 0.29 -0.82 -0.07 -0.13 -1.23 0.00 0.00 174.94 172.99 3h4e s ARG 154 N 2.98 0.66 0.07 2.79 3.00 -1.26 -4.88 118.95 122.32 3h4e s ARG 154 Ca 0.21 -0.22 -0.31 0.00 0.00 0.00 0.00 55.73 55.41 3h4e s ARG 154 Cb -0.16 -0.65 -0.08 0.00 0.00 0.00 0.00 34.95 34.05 3h4e s ARG 154 CO 0.16 0.09 1.67 -1.14 0.00 0.00 0.00 175.30 176.07 3h4e s GLN 155 N 0.14 4.19 0.88 3.54 0.74 -0.83 -4.97 119.66 123.35 3h4e s GLN 155 Ca -0.02 2.36 -0.13 0.00 0.05 0.00 0.00 55.36 57.62 3h4e s GLN 155 Cb -0.06 -3.60 0.06 0.00 1.10 0.00 0.00 33.01 30.51 3h4e s GLN 155 CO -0.00 -0.75 0.77 0.41 -0.55 0.00 0.00 175.29 175.17 3h4e n GLY 156 N 4.02 -1.13 0.21 2.59 0.00 -1.26 -4.33 105.19 105.30 3h4e n GLY 156 Ca 0.16 -0.63 -0.05 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.31 0.42 -0.14 1.61 0.11 -2.02 -3.09 132.00 127.57 3h4e h PRO 157 Ca -0.44 -0.21 0.00 0.00 0.11 0.00 0.00 66.00 65.46 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 0.40 0.76 0.00 1.63 -0.21 0.00 0.00 178.00 180.58 3h4e n LYS 158 N -4.02 2.33 -3.00 1.05 4.01 -1.26 -5.00 118.16 112.27 3h4e n LYS 158 Ca -0.02 -2.48 -0.41 0.00 -0.51 0.00 0.00 58.31 54.90 3h4e n LYS 158 Cb 0.50 -1.54 -0.05 0.00 -0.51 0.00 0.00 35.03 33.43 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 -2.39 4.32 0.53 1.97 2.12 -1.17 -5.04 118.70 119.03 3h4e s GLU 159 Ca 0.31 0.87 -0.22 0.00 0.36 0.00 0.00 54.97 56.29 3h4e s GLU 159 Cb 0.25 -3.54 -0.06 0.00 0.26 0.00 0.00 34.13 31.04 3h4e s GLU 159 CO 0.06 -0.19 1.20 -2.30 -0.54 0.00 0.00 175.26 173.49 3h4e n PRO 160 N 4.75 1.46 -0.31 4.30 -0.02 -1.26 -4.64 135.00 139.28 3h4e n PRO 160 Ca 0.01 0.54 -0.00 0.00 -2.02 0.00 0.00 63.50 62.03 3h4e n PRO 160 Cb 0.50 -2.37 0.12 0.00 -0.02 0.00 0.00 33.50 31.73 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 1.27 1.01 -0.43 6.00 3.57 -1.97 -2.48 116.94 123.91 3h4e h PHE 161 Ca -0.49 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.08 3h4e h PHE 161 Cb 1.32 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 3h4e h PHE 161 CO 0.43 0.55 0.20 -0.09 -2.23 0.00 0.00 178.31 177.17 3h4e h ARG 162 N 1.02 0.38 -0.45 1.11 2.43 -1.91 0.07 114.38 117.03 3h4e h ARG 162 Ca 0.36 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.49 3h4e h ARG 162 Cb 0.08 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3h4e h ARG 162 CO -0.14 0.25 0.22 -0.44 -1.51 0.00 0.00 179.97 178.35 3h4e h ASP 163 N 0.39 0.56 -0.13 -3.80 3.32 -1.82 0.02 116.42 114.97 3h4e h ASP 163 Ca 0.19 -0.05 -0.13 0.00 0.02 0.00 0.00 57.03 57.07 3h4e h ASP 163 Cb 0.13 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3h4e h ASP 163 CO -0.15 0.48 -0.42 0.22 -1.72 0.00 0.00 179.24 177.65 3h4e h TYR 164 N 0.63 0.67 -0.46 4.55 3.20 -1.09 -2.49 116.97 121.98 3h4e h TYR 164 Ca 0.16 -0.27 -0.03 0.00 3.14 0.00 0.00 58.73 61.72 3h4e h TYR 164 Cb 0.07 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 3h4e h TYR 164 CO 0.00 1.03 0.15 0.28 -1.64 0.00 0.00 178.16 177.98 3h4e h VAL 165 N 0.12 1.19 -0.05 1.81 2.07 -0.64 -0.29 116.25 120.47 3h4e h VAL 165 Ca -0.02 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 66.88 3h4e h VAL 165 Cb 1.05 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3h4e h VAL 165 CO 0.09 0.24 -0.03 0.44 0.02 0.00 0.00 177.57 178.33 3h4e h ASP 166 N 0.66 -0.10 -0.82 0.57 3.45 -0.96 -1.62 116.42 117.59 3h4e h ASP 166 Ca 0.16 0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.61 3h4e h ASP 166 Cb 0.19 0.05 -0.04 0.00 -0.56 0.00 0.00 39.33 38.98 3h4e h ASP 166 CO -0.01 -0.04 0.42 0.03 -1.57 0.00 0.00 179.24 178.07 3h4e h ARG 167 N -0.03 1.18 0.55 3.56 3.08 -1.08 -1.02 114.38 120.61 3h4e h ARG 167 Ca 0.03 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 3h4e h ARG 167 Cb 0.08 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.91 3h4e h ARG 167 CO -0.07 0.89 -0.29 0.35 -1.07 0.00 0.00 179.97 179.78 3h4e h PHE 168 N 1.17 -0.76 0.00 3.04 3.57 -0.66 -1.96 116.94 121.34 3h4e h PHE 168 Ca 0.29 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.63 3h4e h PHE 168 Cb 0.08 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 3h4e h PHE 168 CO 0.01 -0.46 -0.69 1.88 -2.23 0.00 0.00 178.31 176.82 3h4e h TYR 169 N -0.78 0.00 -0.41 0.41 0.05 -1.22 -0.35 116.97 114.67 3h4e h TYR 169 Ca -0.07 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 3h4e h TYR 169 Cb 0.61 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.33 3h4e h TYR 169 CO -0.06 0.69 0.22 -0.22 -1.05 0.00 0.00 178.16 177.73 3h4e h LYS 170 N 0.00 0.58 0.01 4.88 3.64 -1.19 -1.12 116.57 123.37 3h4e h LYS 170 Ca -0.01 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3h4e h LYS 170 Cb 1.37 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3h4e h LYS 170 CO 0.09 0.48 -0.01 1.15 -2.27 0.00 0.00 179.45 178.89 3h4e h THR 171 N 0.53 1.14 -0.98 1.00 2.02 -1.11 -2.54 112.91 112.98 3h4e h THR 171 Ca 0.14 -0.47 0.12 0.00 0.77 0.00 0.00 66.41 66.97 3h4e h THR 171 Cb 0.08 1.47 -0.08 0.00 -1.74 0.00 0.00 68.15 67.87 3h4e h THR 171 CO -0.02 0.12 0.62 0.25 0.37 0.00 0.00 175.52 176.86 3h4e h LEU 172 N -0.22 0.88 -0.61 2.58 5.85 -1.04 -2.21 115.31 120.54 3h4e h LEU 172 Ca -0.00 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.64 3h4e h LEU 172 Cb 0.21 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3h4e h LEU 172 CO 0.00 0.47 -0.18 -0.09 -0.34 0.00 0.00 178.44 178.31 3h4e h ARG 173 N 0.95 0.92 -0.37 1.25 2.43 -1.03 -2.98 114.38 115.54 3h4e h ARG 173 Ca 0.48 -0.36 -0.13 0.00 -0.81 0.00 0.00 59.98 59.17 3h4e h ARG 173 Cb 0.51 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 3h4e h ARG 173 CO -0.25 1.02 -0.27 0.00 -1.51 0.00 0.00 179.97 178.96 3h4e h ALA 174 N 0.98 0.81 -0.16 2.80 0.00 -0.99 -1.18 119.26 121.53 3h4e h ALA 174 Ca 0.12 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 3h4e h ALA 174 Cb 0.72 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3h4e h ALA 174 CO 0.06 0.64 -0.33 0.93 0.00 0.00 0.00 179.25 180.55 3h4e h GLU 175 N 0.67 0.32 -0.01 0.00 4.39 -1.30 -3.01 114.58 115.65 3h4e h GLU 175 Ca 0.08 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3h4e h GLU 175 Cb 0.80 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 3h4e h GLU 175 CO 0.07 0.62 -0.30 1.04 -1.16 0.00 0.00 179.01 179.28 3h4e n GLN 176 N -4.08 1.59 -3.93 2.33 3.00 -1.14 -4.74 117.38 110.40 3h4e n GLN 176 Ca -0.01 -0.96 -0.27 0.00 -0.01 0.00 0.00 57.00 55.75 3h4e n GLN 176 Cb 0.43 -1.31 -0.00 0.00 0.00 0.00 0.00 30.24 29.36 3h4e n GLN 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3h4e n ALA 177 N 0.08 -1.79 -3.50 -1.58 0.00 -0.50 -4.95 120.51 108.26 3h4e n ALA 177 Ca 0.08 -0.14 -0.11 0.00 0.00 0.00 0.00 53.44 53.27 3h4e n ALA 177 Cb 0.37 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.47 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 -4.05 -0.44 0.00 0.00 0.15 -0.84 -5.03 113.70 103.48 3h4e s SER 178 Ca 0.21 0.15 0.11 0.00 0.70 0.00 0.00 55.95 57.12 3h4e s SER 178 Cb -0.11 0.43 0.09 0.00 -1.71 0.00 0.00 66.02 64.72 3h4e s SER 178 CO 0.87 -0.64 0.84 0.00 1.20 0.00 0.00 173.24 175.51 3h4e n GLN 179 N 0.03 0.52 -3.33 5.44 6.02 -1.26 -4.09 117.38 120.71 3h4e n GLN 179 Ca -0.12 -1.15 -0.38 0.00 -0.01 0.00 0.00 57.00 55.34 3h4e n GLN 179 Cb 0.61 -1.21 -0.06 0.00 1.02 0.00 0.00 30.24 30.61 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 -0.89 4.25 0.00 -1.09 8.01 -1.26 -5.06 118.70 122.66 3h4e s GLU 180 Ca 0.13 0.50 0.00 0.00 0.01 0.00 0.00 54.97 55.61 3h4e s GLU 180 Cb 0.09 -3.37 0.00 0.00 -4.31 0.00 0.00 34.13 26.54 3h4e s GLU 180 CO 0.13 0.32 0.00 0.27 0.01 0.00 0.00 175.26 176.00 3h4e n ASN 183 N 3.05 0.00 0.15 -0.19 0.23 -1.26 -5.13 115.26 112.11 3h4e n ASN 183 Ca -0.09 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 54.01 3h4e n ASN 183 Cb 0.52 0.00 0.48 0.00 -2.08 0.00 0.00 39.78 38.69 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 1.69 0.25 -2.53 0.00 -2.06 -1.55 119.26 115.06 3h4e h ALA 184 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3h4e h ALA 184 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3h4e h ALA 184 CO 0.00 0.23 -0.12 0.00 0.00 0.00 0.00 179.25 179.36 3h4e h ALA 185 N 1.78 -0.33 -0.57 0.00 0.00 -2.05 -1.39 119.26 116.69 3h4e h ALA 185 Ca 0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3h4e h ALA 185 Cb 0.21 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3h4e h ALA 185 CO 0.01 -0.59 0.20 1.79 0.00 0.00 0.00 179.25 180.66 3h4e h THR 186 N -0.52 1.21 -0.40 0.00 1.35 -1.94 -0.77 112.91 111.85 3h4e h THR 186 Ca -0.03 -0.70 0.04 0.00 -0.55 0.00 0.00 66.41 65.16 3h4e h THR 186 Cb 0.38 0.56 -0.04 0.00 -1.73 0.00 0.00 68.15 67.33 3h4e h THR 186 CO 0.06 0.27 0.18 -0.33 -0.25 0.00 0.00 175.52 175.45 3h4e h GLU 187 N 0.83 0.36 -0.47 4.72 5.08 -1.15 0.18 114.58 124.13 3h4e h GLU 187 Ca 0.19 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.44 3h4e h GLU 187 Cb 0.20 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3h4e h GLU 187 CO -0.01 0.24 -0.09 1.79 -1.00 0.00 0.00 179.01 179.94 3h4e h THR 188 N 0.37 1.26 -0.09 1.13 1.35 -0.83 -2.99 112.91 113.11 3h4e h THR 188 Ca 0.18 -1.17 -0.15 0.00 -0.55 0.00 0.00 66.41 64.72 3h4e h THR 188 Cb 0.11 0.99 -0.01 0.00 -1.73 0.00 0.00 68.15 67.51 3h4e h THR 188 CO -0.14 0.40 -0.59 0.25 -0.25 0.00 0.00 175.52 175.19 3h4e h LEU 189 N 0.76 0.35 -0.11 3.87 5.85 -0.61 -0.85 115.31 124.57 3h4e h LEU 189 Ca 0.13 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 3h4e h LEU 189 Cb 0.58 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 3h4e h LEU 189 CO 0.04 0.85 0.01 0.25 -0.34 0.00 0.00 178.44 179.25 3h4e h LEU 190 N 0.23 0.18 -0.38 2.25 5.85 -0.60 -1.93 115.31 120.92 3h4e h LEU 190 Ca -0.00 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.38 3h4e h LEU 190 Cb 1.09 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 3h4e h LEU 190 CO 0.09 0.43 0.05 -0.37 -0.34 0.00 0.00 178.44 178.31 3h4e h VAL 191 N -0.07 1.24 -0.94 1.05 -1.51 -1.50 -3.07 116.25 111.45 3h4e h VAL 191 Ca 0.03 -0.87 0.09 0.00 -1.23 0.00 0.00 66.70 64.72 3h4e h VAL 191 Cb 0.33 1.07 -0.07 0.00 -2.13 0.00 0.00 31.29 30.49 3h4e h VAL 191 CO 0.00 0.30 0.61 0.06 -1.23 0.00 0.00 177.57 177.31 3h4e h GLN 192 N 0.48 0.96 -0.29 5.19 -0.00 -1.10 -2.45 115.11 117.90 3h4e h GLN 192 Ca 0.12 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.71 3h4e h GLN 192 Cb 0.38 -0.22 0.00 0.00 -0.00 0.00 0.00 27.48 27.64 3h4e h GLN 192 CO 0.01 0.64 0.00 0.09 -0.00 0.00 0.00 178.83 179.56 3h4e n ASN 193 N -4.53 2.21 -4.79 0.06 3.02 -0.73 -4.91 115.26 105.59 3h4e n ASN 193 Ca 0.16 -1.85 -0.33 0.00 -0.03 0.00 0.00 54.58 52.53 3h4e n ASN 193 Cb 0.28 -0.19 0.02 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 -1.62 2.65 0.97 5.41 0.00 -0.92 -1.96 121.76 126.29 3h4e s ALA 194 Ca 0.33 0.42 -0.12 0.00 0.00 0.00 0.00 51.96 52.59 3h4e s ALA 194 Cb 0.18 -3.26 0.17 0.00 0.00 0.00 0.00 23.12 20.22 3h4e s ALA 194 CO 0.25 -0.98 1.08 0.54 0.00 0.00 0.00 175.76 176.66 3h4e s ASN 195 N -2.78 2.71 0.13 0.00 2.20 -1.26 -4.59 114.94 111.36 3h4e s ASN 195 Ca 0.64 1.55 -0.26 0.00 -0.94 0.00 0.00 52.86 53.85 3h4e s ASN 195 Cb -0.17 -2.21 -0.04 0.00 -2.00 0.00 0.00 41.25 36.82 3h4e s ASN 195 CO 0.39 -3.12 1.62 -0.65 -2.94 0.00 0.00 177.10 172.40 3h4e h PRO 196 N -1.88 -0.40 -0.17 3.55 0.11 -1.94 0.11 132.00 131.38 3h4e h PRO 196 Ca -0.52 0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.66 3h4e h PRO 196 Cb 1.30 0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.45 3h4e h PRO 196 CO 0.52 -0.26 -0.15 -0.44 -0.21 0.00 0.00 178.00 177.46 3h4e h ASP 197 N -0.41 -0.47 -0.53 -2.05 3.45 -1.98 -2.69 116.42 111.75 3h4e h ASP 197 Ca 0.07 0.09 -0.08 0.00 0.43 0.00 0.00 57.03 57.55 3h4e h ASP 197 Cb 0.52 0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 39.50 3h4e h ASP 197 CO -0.28 -0.19 0.03 0.00 -1.57 0.00 0.00 179.24 177.24 3h4e h LYS 199 N 0.79 0.40 -0.07 0.00 -0.00 -0.48 0.15 116.57 117.36 3h4e h LYS 199 Ca 0.15 -0.02 -0.03 0.00 -0.00 0.00 0.00 60.65 60.75 3h4e h LYS 199 Cb 0.48 -0.09 -0.00 0.00 -0.00 0.00 0.00 32.23 32.62 3h4e h LYS 199 CO 0.02 0.26 -0.06 1.79 -0.00 0.00 0.00 179.45 181.46 3h4e h THR 200 N 0.41 1.37 -0.96 0.07 1.35 -1.43 -1.29 112.91 112.43 3h4e h THR 200 Ca 0.40 -1.21 0.07 0.00 -0.55 0.00 0.00 66.41 65.13 3h4e h THR 200 Cb 0.62 2.03 -0.07 0.00 -1.73 0.00 0.00 68.15 69.00 3h4e h THR 200 CO -0.41 0.33 0.61 0.40 -0.25 0.00 0.00 175.52 176.21 3h4e h ILE 201 N -0.27 1.04 -0.11 6.82 2.04 -1.36 -0.89 117.51 124.77 3h4e h ILE 201 Ca 0.01 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.45 3h4e h ILE 201 Cb 0.57 -0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 3h4e h ILE 201 CO 0.02 0.20 -0.11 -0.07 0.00 0.00 0.00 178.15 178.19 3h4e h LEU 202 N 1.09 0.29 -1.72 1.44 3.38 -0.92 -2.32 115.31 116.56 3h4e h LEU 202 Ca 0.43 -0.48 0.16 0.00 0.09 0.00 0.00 57.88 58.08 3h4e h LEU 202 Cb 0.23 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3h4e h LEU 202 CO -0.19 0.71 0.48 0.11 0.09 0.00 0.00 178.44 179.64 3h4e h LYS 203 N -0.12 0.27 -0.37 1.13 1.79 -0.94 -1.79 116.57 116.54 3h4e h LYS 203 Ca 0.02 -0.02 -0.11 0.00 -2.18 0.00 0.00 60.65 58.36 3h4e h LYS 203 Cb 0.62 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.20 3h4e h LYS 203 CO 0.03 0.18 -0.23 0.00 -1.08 0.00 0.00 179.45 178.35 3h4e h ALA 204 N 1.66 0.90 0.00 3.86 0.00 -0.63 -2.37 119.26 122.68 3h4e h ALA 204 Ca 0.34 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3h4e h ALA 204 Cb 0.96 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3h4e h ALA 204 CO -0.08 0.62 0.00 -0.07 0.00 0.00 0.00 179.25 179.72 3h4e h LEU 205 N 0.65 0.00 0.00 0.00 3.38 -0.95 -3.48 115.31 114.90 3h4e h LEU 205 Ca 0.09 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.12 3h4e h LEU 205 Cb 0.73 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3h4e h LEU 205 CO 0.06 0.00 -0.08 0.61 0.09 0.00 0.00 178.44 179.12 3h4e n GLY 206 N -0.92 -2.02 3.80 0.83 0.00 -0.89 -4.83 105.19 101.16 3h4e n GLY 206 Ca -0.01 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.75 2.43 -0.26 1.61 0.02 -1.26 -4.19 135.00 132.60 3h4e s PRO 207 Ca 0.00 0.82 0.00 0.00 0.02 0.00 0.00 61.00 61.84 3h4e s PRO 207 Cb 0.00 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.58 3h4e s PRO 207 CO 0.00 -1.43 0.00 0.41 -0.33 0.00 0.00 177.00 175.65 3h4e n GLY 208 N -1.94 0.57 3.74 0.52 0.00 -1.26 -5.02 105.19 101.80 3h4e n GLY 208 Ca 0.07 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.07 3.28 0.59 4.61 0.00 -1.26 -5.05 121.76 121.86 3h4e s ALA 209 Ca 0.00 0.54 -0.15 0.00 0.00 0.00 0.00 51.96 52.35 3h4e s ALA 209 Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 3h4e s ALA 209 CO 0.00 0.03 1.04 0.95 0.00 0.00 0.00 175.76 177.79 3h4e s THR 210 N -0.24 3.97 0.43 0.00 -4.23 -1.26 -4.91 115.64 109.41 3h4e s THR 210 Ca 0.45 0.91 0.11 0.00 -1.18 0.00 0.00 61.69 61.98 3h4e s THR 210 Cb -0.23 -3.45 0.29 0.00 1.34 0.00 0.00 72.50 70.45 3h4e s THR 210 CO 0.29 -0.57 2.03 0.25 -0.54 0.00 0.00 174.62 176.08 3h4e h LEU 211 N 0.45 0.38 -0.33 4.79 5.85 -1.99 -1.47 115.31 122.99 3h4e h LEU 211 Ca -0.47 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 3h4e h LEU 211 Cb 1.21 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 3h4e h LEU 211 CO 0.58 0.26 0.19 -0.08 -0.34 0.00 0.00 178.44 179.05 3h4e h GLU 212 N 0.44 0.45 -0.64 1.25 4.81 -1.99 -1.62 114.58 117.29 3h4e h GLU 212 Ca 0.19 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 3h4e h GLU 212 Cb 0.21 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 3h4e h GLU 212 CO -0.05 0.36 0.35 0.93 -0.73 0.00 0.00 179.01 179.86 3h4e h GLU 213 N 0.42 0.89 -0.71 1.92 5.08 -1.67 -1.63 114.58 118.88 3h4e h GLU 213 Ca 0.12 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3h4e h GLU 213 Cb 0.02 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 3h4e h GLU 213 CO -0.02 0.67 0.37 0.52 -1.00 0.00 0.00 179.01 179.55 3h4e h MET 214 N 0.87 1.00 -0.07 2.33 2.86 -1.21 -1.50 114.93 119.22 3h4e h MET 214 Ca 0.22 -0.13 -0.19 0.00 -2.06 0.00 0.00 59.70 57.55 3h4e h MET 214 Cb 0.04 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.51 3h4e h MET 214 CO -0.04 0.77 -0.74 0.52 1.06 0.00 0.00 176.91 178.48 3h4e h MET 215 N 0.98 0.39 -0.44 1.72 2.86 -1.10 -2.42 114.93 116.92 3h4e h MET 215 Ca 0.25 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 3h4e h MET 215 Cb 0.07 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3h4e h MET 215 CO -0.04 0.97 0.22 0.00 1.06 0.00 0.00 176.91 179.13 3h4e h THR 216 N 0.26 1.17 -0.95 2.22 1.03 -1.20 -3.01 112.91 112.44 3h4e h THR 216 Ca -0.03 -0.47 0.04 0.00 -0.01 0.00 0.00 66.41 65.94 3h4e h THR 216 Cb 1.32 0.68 -0.06 0.00 -1.07 0.00 0.00 68.15 69.03 3h4e h THR 216 CO 0.13 0.19 0.62 0.00 -0.01 0.00 0.00 175.52 176.44 3h4e h ALA 217 N 1.07 1.27 -0.57 0.00 0.00 -0.99 -2.95 119.26 117.09 3h4e h ALA 217 Ca 0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3h4e h ALA 217 Cb 0.09 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3h4e h ALA 217 CO -0.02 0.48 0.04 0.00 0.00 0.00 0.00 179.25 179.74 3h4e s GLN 219 N -2.82 3.77 0.00 0.00 0.74 -1.12 -4.56 119.66 115.68 3h4e s GLN 219 Ca 0.54 1.66 0.00 0.00 0.05 0.00 0.00 55.36 57.61 3h4e s GLN 219 Cb 0.42 -4.05 0.00 0.00 1.10 0.00 0.00 33.01 30.48 3h4e s GLN 219 CO 0.15 -1.33 0.00 0.41 -0.55 0.00 0.00 175.29 173.97