#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 3.18 0.26 4.25 1.01 -0.03 -0.90 121.20 128.97 3h4e s ILE 2 Ca 0.00 -0.62 0.06 0.00 0.00 0.00 0.00 60.65 60.09 3h4e s ILE 2 Cb 0.00 -2.47 -0.06 0.00 0.01 0.00 0.00 42.46 39.95 3h4e s ILE 2 CO 0.00 0.40 -0.05 0.68 0.00 0.00 0.00 174.94 175.96 3h4e s VAL 3 N 1.44 1.49 -0.16 2.92 -7.23 0.02 -4.77 120.40 114.11 3h4e s VAL 3 Ca 0.05 -2.10 -0.23 0.00 -1.81 0.00 0.00 61.98 57.89 3h4e s VAL 3 Cb -0.14 -2.39 -0.02 0.00 0.56 0.00 0.00 36.38 34.38 3h4e s VAL 3 CO -0.04 -0.33 0.71 -1.58 -0.31 0.00 0.00 175.10 173.54 3h4e s GLN 4 N -3.76 4.29 0.00 4.82 0.74 -1.26 -0.13 119.66 124.36 3h4e s GLN 4 Ca 0.28 0.80 0.00 0.00 0.05 0.00 0.00 55.36 56.50 3h4e s GLN 4 Cb 0.04 -3.55 0.00 0.00 1.10 0.00 0.00 33.01 30.60 3h4e s GLN 4 CO 0.11 -0.21 0.00 0.27 -0.55 0.00 0.00 175.29 174.91 3h4e n ASN 5 N 4.85 0.00 0.06 6.67 0.23 -0.17 -4.96 115.26 121.94 3h4e n ASN 5 Ca 0.01 -0.06 -0.12 0.00 -0.53 0.00 0.00 54.58 53.87 3h4e n ASN 5 Cb 0.50 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 38.06 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 0.23 0.00 -4.53 8.10 -1.98 -3.23 115.31 113.90 3h4e h LEU 6 Ca 0.00 -0.28 0.00 0.00 0.11 0.00 0.00 57.88 57.71 3h4e h LEU 6 Cb 0.00 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 40.15 3h4e h LEU 6 CO 0.00 1.22 0.00 0.00 -4.11 0.00 0.00 178.44 175.55 3h4e n GLN 7 N -3.39 0.91 -1.01 0.17 -0.00 -1.26 -4.86 117.38 107.93 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 1.00 -1.08 -0.00 0.00 -0.00 0.00 0.00 30.24 30.16 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 0.48 0.47 3.90 2.61 0.00 -1.22 -5.03 105.19 106.40 3h4e n GLY 8 Ca 0.04 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.64 3.60 -0.18 1.61 -0.21 -1.26 -4.86 119.66 117.72 3h4e s GLN 9 Ca 0.00 -0.13 -0.20 0.00 0.02 0.00 0.00 55.36 55.05 3h4e s GLN 9 Cb 0.00 -2.87 -0.03 0.00 1.00 0.00 0.00 33.01 31.11 3h4e s GLN 9 CO 0.00 0.48 0.59 -1.64 -2.12 0.00 0.00 175.29 172.60 3h4e s MET 10 N -2.67 4.23 0.05 2.91 -1.94 -1.26 -1.00 119.30 119.63 3h4e s MET 10 Ca 0.40 0.56 -0.01 0.00 -1.71 0.00 0.00 55.69 54.94 3h4e s MET 10 Cb -0.12 -3.55 -0.04 0.00 2.01 0.00 0.00 34.83 33.13 3h4e s MET 10 CO 0.25 -0.15 -0.03 0.14 -0.01 0.00 0.00 175.02 175.21 3h4e s VAL 11 N 1.63 0.28 0.27 -6.03 -7.23 0.81 -4.93 120.40 105.20 3h4e s VAL 11 Ca 0.28 -1.77 -0.29 0.00 -1.81 0.00 0.00 61.98 58.39 3h4e s VAL 11 Cb -0.16 -1.46 -0.09 0.00 0.56 0.00 0.00 36.38 35.23 3h4e s VAL 11 CO 0.11 -0.95 0.98 -2.28 -0.31 0.00 0.00 175.10 172.65 3h4e s HIS 12 N -3.71 3.81 0.00 2.82 5.65 -1.26 -0.80 115.29 121.80 3h4e s HIS 12 Ca 0.06 1.83 0.01 0.00 0.25 0.00 0.00 55.06 57.21 3h4e s HIS 12 Cb 0.06 -3.05 -0.00 0.00 -1.18 0.00 0.00 32.58 28.41 3h4e s HIS 12 CO -0.09 0.13 -0.02 -1.14 -0.65 0.00 0.00 174.74 172.97 3h4e s GLN 13 N -1.45 0.16 0.36 2.88 0.74 -0.08 -4.94 119.66 117.33 3h4e s GLN 13 Ca 0.44 -0.14 -0.28 0.00 0.05 0.00 0.00 55.36 55.43 3h4e s GLN 13 Cb -0.26 -0.11 -0.10 0.00 1.10 0.00 0.00 33.01 33.64 3h4e s GLN 13 CO 0.33 0.03 1.39 0.00 -0.55 0.00 0.00 175.29 176.48 3h4e s ILE 15 N -1.14 2.53 0.30 0.00 2.07 -1.26 -4.65 121.20 119.05 3h4e s ILE 15 Ca 0.52 0.48 -0.14 0.00 -1.41 0.00 0.00 60.65 60.10 3h4e s ILE 15 Cb -0.43 -3.30 -0.09 0.00 0.13 0.00 0.00 42.46 38.77 3h4e s ILE 15 CO 0.57 0.09 0.69 -0.94 -1.91 0.00 0.00 174.94 173.45 3h4e s SER 16 N 0.07 6.74 0.29 4.50 1.04 -1.26 -4.95 113.70 120.12 3h4e s SER 16 Ca 0.56 1.20 0.03 0.00 0.48 0.00 0.00 55.95 58.22 3h4e s SER 16 Cb -0.43 -2.34 0.68 0.00 0.10 0.00 0.00 66.02 64.04 3h4e s SER 16 CO 0.49 -0.18 1.74 -0.65 0.98 0.00 0.00 173.24 175.63 3h4e h PRO 17 N 2.31 0.57 0.04 4.02 0.11 -1.99 -1.40 132.00 135.65 3h4e h PRO 17 Ca -0.48 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.61 3h4e h PRO 17 Cb 1.17 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3h4e h PRO 17 CO 0.66 0.37 -0.12 0.00 -0.21 0.00 0.00 178.00 178.71 3h4e h ARG 18 N 0.58 -0.21 -0.01 1.05 3.08 -1.99 -0.72 114.38 116.17 3h4e h ARG 18 Ca 0.54 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.62 3h4e h ARG 18 Cb 0.91 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 3h4e h ARG 18 CO -0.43 -0.14 -0.05 1.15 -1.07 0.00 0.00 179.97 179.43 3h4e h THR 19 N -0.22 0.87 -0.38 2.04 2.02 -1.75 0.10 112.91 115.60 3h4e h THR 19 Ca 0.03 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.29 3h4e h THR 19 Cb 0.25 0.87 -0.07 0.00 -1.74 0.00 0.00 68.15 67.45 3h4e h THR 19 CO -0.09 0.00 -0.12 -0.07 0.37 0.00 0.00 175.52 175.62 3h4e h LEU 20 N -0.08 -0.42 -0.43 2.58 3.38 -1.18 -1.89 115.31 117.26 3h4e h LEU 20 Ca 0.02 0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 3h4e h LEU 20 Cb 0.11 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3h4e h LEU 20 CO -0.06 -0.15 0.07 -1.13 0.09 0.00 0.00 178.44 177.26 3h4e h ASN 21 N -0.03 0.69 -0.40 -0.43 -1.24 -0.79 -2.49 115.58 110.89 3h4e h ASN 21 Ca 0.18 -0.26 0.05 0.00 0.71 0.00 0.00 56.30 56.98 3h4e h ASN 21 Cb 0.31 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 39.13 3h4e h ASN 21 CO -0.41 0.78 0.14 0.00 -1.29 0.00 0.00 177.43 176.65 3h4e h ALA 22 N 0.94 0.47 -0.05 1.57 0.00 -0.40 -1.17 119.26 120.61 3h4e h ALA 22 Ca 0.13 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3h4e h ALA 22 Cb 0.39 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3h4e h ALA 22 CO 0.01 -0.25 0.01 2.35 0.00 0.00 0.00 179.25 181.37 3h4e h TRP 23 N 0.30 0.08 -1.00 0.00 2.91 -1.30 -1.58 115.95 115.35 3h4e h TRP 23 Ca 0.18 -0.01 0.14 0.00 1.13 0.00 0.00 58.89 60.33 3h4e h TRP 23 Cb 0.17 -0.02 -0.09 0.00 -0.51 0.00 0.00 29.16 28.71 3h4e h TRP 23 CO -0.15 0.29 0.63 0.28 -1.03 0.00 0.00 178.44 178.46 3h4e h VAL 24 N -0.16 0.86 -0.16 2.65 2.07 -1.25 -2.58 116.25 117.67 3h4e h VAL 24 Ca 0.01 -0.32 -0.17 0.00 0.82 0.00 0.00 66.70 67.04 3h4e h VAL 24 Cb 0.26 -0.15 0.01 0.00 -1.52 0.00 0.00 31.29 29.88 3h4e h VAL 24 CO 0.00 0.17 -0.57 0.11 0.02 0.00 0.00 177.57 177.30 3h4e h LYS 25 N 0.93 0.67 -0.55 1.57 1.79 -0.94 -2.16 116.57 117.88 3h4e h LYS 25 Ca 0.52 -0.50 0.07 0.00 -2.18 0.00 0.00 60.65 58.56 3h4e h LYS 25 Cb 0.60 0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 31.28 3h4e h LYS 25 CO -0.30 1.12 0.21 0.28 -1.08 0.00 0.00 179.45 179.69 3h4e h VAL 26 N 0.35 0.83 -0.51 0.50 2.07 -1.07 0.15 116.25 118.57 3h4e h VAL 26 Ca -0.02 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 3h4e h VAL 26 Cb 1.19 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3h4e h VAL 26 CO 0.12 0.07 0.14 0.58 0.02 0.00 0.00 177.57 178.50 3h4e h VAL 27 N 0.41 1.24 -0.76 2.57 2.07 -1.40 0.08 116.25 120.45 3h4e h VAL 27 Ca 0.27 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 3h4e h VAL 27 Cb 0.28 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 3h4e h VAL 27 CO -0.25 0.30 0.43 -0.33 0.02 0.00 0.00 177.57 177.74 3h4e h GLU 28 N 0.70 1.04 0.00 1.57 5.08 -0.69 -1.24 114.58 121.04 3h4e h GLU 28 Ca 0.16 -0.11 -0.29 0.00 -1.00 0.00 0.00 59.36 58.12 3h4e h GLU 28 Cb 0.31 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 3h4e h GLU 28 CO -0.00 0.75 -1.71 0.39 -1.00 0.00 0.00 179.01 177.44 3h4e n GLU 29 N -4.37 0.63 0.00 2.33 1.02 0.47 -4.48 120.64 116.24 3h4e n GLU 29 Ca 0.08 0.30 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 3h4e n GLU 29 Cb 0.09 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 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 -3.07 -0.91 0.00 3.49 4.76 -0.00 -5.07 118.16 117.36 3h4e n LYS 30 Ca -0.17 -0.46 0.00 0.00 -2.87 0.00 0.00 58.31 54.81 3h4e n LYS 30 Cb 1.05 -0.96 0.00 0.00 -1.84 0.00 0.00 35.03 33.28 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 -0.00 0.00 -1.73 7.82 0.00 -0.47 -1.53 120.51 124.60 3h4e n ALA 31 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 3h4e n ALA 31 Cb 0.02 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.61 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 9.94 1.23 -1.69 0.00 3.72 -1.26 -4.73 117.46 124.67 3h4e n PHE 32 Ca 0.00 -1.82 -0.40 0.00 -0.05 0.00 0.00 57.45 55.18 3h4e n PHE 32 Cb 0.00 -0.34 0.03 0.00 -0.94 0.00 0.00 39.48 38.22 3h4e n PHE 32 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3h4e n SER 33 N -0.96 2.15 -0.23 4.37 2.88 -0.58 -4.58 113.62 116.67 3h4e n SER 33 Ca 0.31 1.02 0.22 0.00 -1.33 0.00 0.00 58.87 59.09 3h4e n SER 33 Cb 0.83 -1.49 0.58 0.00 -0.75 0.00 0.00 64.21 63.39 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 1.61 0.26 0.00 -1.46 0.11 -1.92 -1.35 132.00 129.25 3h4e h PRO 34 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3h4e h PRO 34 Cb 1.31 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3h4e h PRO 34 CO 0.57 0.17 0.00 -0.85 -0.21 0.00 0.00 178.00 177.69 3h4e n GLU 35 N -4.44 0.03 0.26 1.05 0.00 -1.26 -2.49 120.64 113.78 3h4e n GLU 35 Ca 0.20 0.21 0.13 0.00 0.00 0.00 0.00 57.16 57.70 3h4e n GLU 35 Cb 0.80 -1.54 0.72 0.00 0.00 0.00 0.00 31.44 31.41 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 0.51 0.02 3.84 2.07 -1.59 -3.10 116.25 117.99 3h4e h VAL 36 Ca 0.00 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 3h4e h VAL 36 Cb 0.33 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3h4e h VAL 36 CO 0.00 0.12 -0.20 0.40 0.02 0.00 0.00 177.57 177.90 3h4e h ILE 37 N 0.00 1.62 -0.40 4.57 2.04 -1.69 -0.56 117.51 123.09 3h4e h ILE 37 Ca -0.00 -2.10 0.10 0.00 1.00 0.00 0.00 64.86 63.86 3h4e h ILE 37 Cb 0.38 3.00 -0.02 0.00 -0.74 0.00 0.00 36.82 39.44 3h4e h ILE 37 CO 0.02 0.56 0.28 -0.65 0.00 0.00 0.00 178.15 178.36 3h4e h PRO 38 N -0.67 0.09 -0.10 2.37 0.11 -1.75 -0.85 132.00 131.19 3h4e h PRO 38 Ca -0.03 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.85 3h4e h PRO 38 Cb 1.04 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 32.14 3h4e h PRO 38 CO 0.04 0.06 -0.80 1.98 -0.21 0.00 0.00 178.00 179.07 3h4e h MET 39 N 0.09 0.72 -0.46 1.05 1.85 -1.45 -2.53 114.93 114.20 3h4e h MET 39 Ca 0.19 -0.64 -0.00 0.00 -0.61 0.00 0.00 59.70 58.63 3h4e h MET 39 Cb 0.63 0.15 -0.02 0.00 0.43 0.00 0.00 31.60 32.79 3h4e h MET 39 CO -0.02 1.24 0.27 0.35 -0.40 0.00 0.00 176.91 178.35 3h4e h PHE 40 N 0.42 0.61 -0.83 1.39 3.57 -0.53 -0.89 116.94 120.68 3h4e h PHE 40 Ca -0.07 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.46 3h4e h PHE 40 Cb 1.44 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.93 3h4e h PHE 40 CO 0.10 0.44 0.53 1.03 -2.23 0.00 0.00 178.31 178.18 3h4e h SER 41 N 0.61 0.87 -0.09 0.41 0.87 -1.13 -2.17 113.55 112.91 3h4e h SER 41 Ca 0.16 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.57 3h4e h SER 41 Cb 0.02 -0.19 0.01 0.00 -0.44 0.00 0.00 62.40 61.80 3h4e h SER 41 CO -0.03 0.59 -0.55 0.00 -0.53 0.00 0.00 176.83 176.31 3h4e h ALA 42 N 1.36 0.19 0.00 6.23 0.00 -1.22 -3.06 119.26 122.75 3h4e h ALA 42 Ca 0.34 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3h4e h ALA 42 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3h4e h ALA 42 CO -0.13 0.41 0.00 -0.07 0.00 0.00 0.00 179.25 179.46 3h4e h LEU 43 N 0.13 0.00 -3.32 0.00 3.38 -0.98 -2.32 115.31 112.19 3h4e h LEU 43 Ca -0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3h4e h LEU 43 Cb 1.20 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 3h4e h LEU 43 CO 0.11 0.00 0.01 -1.54 0.09 0.00 0.00 178.44 177.12 3h4e n SER 44 N -2.54 3.72 -4.69 -0.43 3.41 -0.83 -4.99 113.62 107.27 3h4e n SER 44 Ca -0.00 -3.18 -0.43 0.00 -0.26 0.00 0.00 58.87 54.99 3h4e n SER 44 Cb 0.14 -0.58 -0.03 0.00 -0.26 0.00 0.00 64.21 63.47 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 4.17 0.45 3.77 0.00 0.00 -1.26 -4.84 105.19 107.48 3h4e n GLY 46 Ca 0.18 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3h4e n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h4e s ALA 47 N -1.88 2.93 0.57 4.61 0.00 -0.43 -0.85 121.76 126.72 3h4e s ALA 47 Ca 0.00 0.98 -0.06 0.00 0.00 0.00 0.00 51.96 52.89 3h4e s ALA 47 Cb 0.00 -3.41 -0.00 0.00 0.00 0.00 0.00 23.12 19.71 3h4e s ALA 47 CO 0.00 -0.77 0.88 0.95 0.00 0.00 0.00 175.76 176.83 3h4e s THR 48 N -1.52 3.92 0.37 0.00 -4.23 -1.26 -4.45 115.64 108.47 3h4e s THR 48 Ca 0.65 0.06 0.11 0.00 -1.18 0.00 0.00 61.69 61.33 3h4e s THR 48 Cb -0.30 -3.54 0.34 0.00 1.34 0.00 0.00 72.50 70.33 3h4e s THR 48 CO 0.36 -0.56 1.86 -0.65 -0.54 0.00 0.00 174.62 175.09 3h4e h PRO 49 N -0.10 0.60 -0.22 3.99 0.11 -1.84 -0.87 132.00 133.66 3h4e h PRO 49 Ca -0.46 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 3h4e h PRO 49 Cb 1.24 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3h4e h PRO 49 CO 0.61 0.40 0.12 0.37 -0.21 0.00 0.00 178.00 179.28 3h4e h GLN 50 N 0.62 0.31 -0.82 1.05 4.15 -1.90 -1.67 115.11 116.85 3h4e h GLN 50 Ca 0.47 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.89 3h4e h GLN 50 Cb 0.86 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 28.43 3h4e h GLN 50 CO -0.22 0.29 0.52 -0.44 -1.93 0.00 0.00 178.83 177.05 3h4e h ASP 51 N 0.24 0.84 -0.28 -0.69 3.32 -1.68 -1.20 116.42 116.97 3h4e h ASP 51 Ca 0.08 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 3h4e h ASP 51 Cb 0.08 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3h4e h ASP 51 CO -0.01 0.57 0.17 -0.07 -1.72 0.00 0.00 179.24 178.17 3h4e h LEU 52 N 0.99 0.34 -1.18 1.55 3.38 -0.95 -0.75 115.31 118.69 3h4e h LEU 52 Ca 0.34 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.26 3h4e h LEU 52 Cb 0.06 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3h4e h LEU 52 CO -0.13 0.30 0.55 0.78 0.09 0.00 0.00 178.44 180.03 3h4e h ASN 53 N 0.36 0.95 -0.12 -0.43 2.35 -1.00 -2.03 115.58 115.66 3h4e h ASN 53 Ca 0.10 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3h4e h ASN 53 Cb 0.02 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 3h4e h ASN 53 CO -0.02 0.68 0.02 0.74 -1.65 0.00 0.00 177.43 177.21 3h4e h THR 54 N 1.12 0.95 -0.91 2.81 2.02 -0.46 0.26 112.91 118.70 3h4e h THR 54 Ca 0.31 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.47 3h4e h THR 54 Cb -0.11 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 3h4e h THR 54 CO -0.07 0.01 0.59 0.24 0.37 0.00 0.00 175.52 176.67 3h4e h MET 55 N 0.07 1.21 -0.03 6.66 2.86 -0.75 -1.91 114.93 123.04 3h4e h MET 55 Ca 0.05 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3h4e h MET 55 Cb 0.05 -0.27 -0.00 0.00 0.06 0.00 0.00 31.60 31.44 3h4e h MET 55 CO -0.07 0.81 -0.03 -0.07 1.06 0.00 0.00 176.91 178.61 3h4e h LEU 56 N 1.24 0.08 -1.73 1.22 3.38 -1.12 -3.26 115.31 115.12 3h4e h LEU 56 Ca 0.33 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3h4e h LEU 56 Cb -0.12 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3h4e h LEU 56 CO -0.07 0.55 0.00 0.78 0.09 0.00 0.00 178.44 179.79 3h4e h ASN 57 N -0.39 0.00 0.76 -0.43 2.35 -0.80 -2.11 115.58 114.96 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 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 3h4e h ASN 57 CO 0.01 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 176.14 3h4e n THR 58 N -2.92 0.08 -2.43 2.81 -2.24 -0.73 -4.75 114.28 104.10 3h4e n THR 58 Ca -0.00 0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.38 3h4e n THR 58 Cb 0.22 -0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 67.87 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 -2.80 4.11 -0.21 2.28 1.01 -0.80 -4.96 120.40 119.03 3h4e s VAL 59 Ca 0.20 1.50 -0.11 0.00 0.00 0.00 0.00 61.98 63.56 3h4e s VAL 59 Cb 0.19 -3.96 -0.19 0.00 0.00 0.00 0.00 36.38 32.41 3h4e s VAL 59 CO 0.47 0.08 0.05 0.61 0.00 0.00 0.00 175.10 176.31 3h4e n GLY 60 N 3.27 -0.59 0.00 4.51 0.00 -1.26 -4.98 105.19 106.13 3h4e n GLY 60 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3h4e n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h4e n GLY 61 N 1.70 1.04 3.93 -0.02 0.00 -1.26 -4.68 105.19 105.89 3h4e n GLY 61 Ca -0.40 -1.77 -0.31 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.62 0.26 1.61 8.25 -1.26 -4.81 115.22 117.66 3h4e n HIS 62 Ca 0.00 0.60 0.11 0.00 -0.26 0.00 0.00 57.72 58.17 3h4e n HIS 62 Cb 0.00 -2.43 0.70 0.00 1.12 0.00 0.00 29.99 29.38 3h4e n HIS 62 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 3h4e h GLN 63 N -1.03 0.00 0.61 -0.41 1.08 -1.95 -0.52 115.11 112.89 3h4e h GLN 63 Ca -0.49 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 56.68 3h4e h GLN 63 Cb 1.32 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.75 3h4e h GLN 63 CO 0.67 0.11 -0.34 0.00 -0.95 0.00 0.00 178.83 178.31 3h4e h ALA 64 N 1.89 -0.90 -0.82 3.87 0.00 -1.99 0.11 119.26 121.42 3h4e h ALA 64 Ca -0.00 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.83 3h4e h ALA 64 Cb 0.24 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 18.36 3h4e h ALA 64 CO 0.01 -1.02 0.45 0.00 0.00 0.00 0.00 179.25 178.70 3h4e h ALA 65 N -0.54 1.17 -0.15 0.00 0.00 -1.73 -1.15 119.26 116.86 3h4e h ALA 65 Ca -0.08 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3h4e h ALA 65 Cb 0.71 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3h4e h ALA 65 CO 0.10 0.05 -0.14 0.52 0.00 0.00 0.00 179.25 179.78 3h4e h MET 66 N 0.74 0.24 -0.01 0.00 2.07 -0.91 -0.99 114.93 116.08 3h4e h MET 66 Ca 0.40 -0.06 -0.26 0.00 -2.07 0.00 0.00 59.70 57.72 3h4e h MET 66 Cb 0.41 -0.03 0.02 0.00 -1.87 0.00 0.00 31.60 30.13 3h4e h MET 66 CO -0.27 0.39 -1.02 0.37 1.07 0.00 0.00 176.91 177.45 3h4e h GLN 67 N 0.23 0.68 -0.70 1.72 5.75 -0.01 -2.29 115.11 120.49 3h4e h GLN 67 Ca 0.05 -0.72 -0.00 0.00 -0.15 0.00 0.00 58.65 57.82 3h4e h GLN 67 Cb 0.39 0.20 -0.03 0.00 1.07 0.00 0.00 27.48 29.11 3h4e h GLN 67 CO 0.02 1.30 0.42 0.52 -2.65 0.00 0.00 178.83 178.44 3h4e h MET 68 N 0.39 0.95 -0.91 1.69 2.86 -0.94 -2.47 114.93 116.49 3h4e h MET 68 Ca -0.12 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 3h4e h MET 68 Cb 1.67 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 33.09 3h4e h MET 68 CO 0.20 0.68 0.58 1.25 1.06 0.00 0.00 176.91 180.67 3h4e h LEU 69 N 0.95 1.07 -0.51 1.22 5.85 -1.14 -0.41 115.31 122.33 3h4e h LEU 69 Ca 0.25 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.94 3h4e h LEU 69 Cb -0.02 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 3h4e h LEU 69 CO -0.05 0.80 0.32 0.50 -0.34 0.00 0.00 178.44 179.67 3h4e h LYS 70 N 1.25 0.62 -0.28 1.25 3.64 -1.13 -1.26 116.57 120.65 3h4e h LYS 70 Ca 0.33 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 3h4e h LYS 70 Cb -0.10 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 3h4e h LYS 70 CO -0.07 0.41 0.18 0.93 -2.27 0.00 0.00 179.45 178.64 3h4e h GLU 71 N 0.64 0.37 -0.63 1.90 5.08 -0.85 -1.73 114.58 119.35 3h4e h GLU 71 Ca 0.20 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.61 3h4e h GLU 71 Cb -0.01 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.09 3h4e h GLU 71 CO -0.07 0.25 0.31 1.15 -1.00 0.00 0.00 179.01 179.64 3h4e h THR 72 N 0.38 0.88 -0.66 1.13 2.02 -0.79 -1.27 112.91 114.60 3h4e h THR 72 Ca 0.10 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 3h4e h THR 72 Cb -0.04 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 66.62 3h4e h THR 72 CO -0.02 0.10 0.37 0.40 0.37 0.00 0.00 175.52 176.74 3h4e h ILE 73 N 0.55 1.20 -0.61 3.11 2.04 -0.92 -1.66 117.51 121.24 3h4e h ILE 73 Ca 0.30 -0.49 0.02 0.00 1.00 0.00 0.00 64.86 65.69 3h4e h ILE 73 Cb 0.28 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 3h4e h ILE 73 CO -0.23 0.22 0.38 0.78 0.00 0.00 0.00 178.15 179.30 3h4e h ASN 74 N 0.90 0.64 -0.06 1.72 2.35 -0.64 -0.73 115.58 119.75 3h4e h ASN 74 Ca 0.23 -0.00 0.03 0.00 -0.55 0.00 0.00 56.30 56.01 3h4e h ASN 74 Cb 0.02 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.21 3h4e h ASN 74 CO -0.04 0.45 -0.14 -0.33 -1.65 0.00 0.00 177.43 175.72 3h4e h GLU 75 N 0.76 -0.20 -0.63 0.81 5.08 -0.79 -0.33 114.58 119.29 3h4e h GLU 75 Ca 0.24 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 3h4e h GLU 75 Cb -0.01 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3h4e h GLU 75 CO -0.08 -0.13 0.33 0.93 -1.00 0.00 0.00 179.01 179.05 3h4e h GLU 76 N -0.21 0.87 -0.40 2.33 4.39 -1.00 0.13 114.58 120.69 3h4e h GLU 76 Ca 0.07 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 3h4e h GLU 76 Cb 0.30 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3h4e h GLU 76 CO -0.18 0.65 -0.00 0.00 -1.16 0.00 0.00 179.01 178.32 3h4e h ALA 77 N 1.49 0.53 -0.67 3.43 0.00 -0.78 -0.12 119.26 123.14 3h4e h ALA 77 Ca 0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3h4e h ALA 77 Cb 0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3h4e h ALA 77 CO -0.03 0.31 0.32 0.00 0.00 0.00 0.00 179.25 179.85 3h4e h ALA 78 N 0.88 0.86 -0.54 0.00 0.00 -0.48 -0.94 119.26 119.05 3h4e h ALA 78 Ca 0.11 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3h4e h ALA 78 Cb 0.48 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3h4e h ALA 78 CO 0.02 0.42 0.08 1.49 0.00 0.00 0.00 179.25 181.26 3h4e h GLU 79 N 0.93 0.86 -0.50 0.00 4.57 -0.81 -1.01 114.58 118.61 3h4e h GLU 79 Ca 0.23 -0.20 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 3h4e h GLU 79 Cb 0.12 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 3h4e h GLU 79 CO -0.03 0.81 0.20 2.35 -1.18 0.00 0.00 179.01 181.16 3h4e h TRP 80 N 0.81 0.76 -0.84 0.92 2.91 -0.59 -2.31 115.95 117.61 3h4e h TRP 80 Ca 0.17 -0.06 -0.03 0.00 1.13 0.00 0.00 58.89 60.11 3h4e h TRP 80 Cb 0.38 -0.23 -0.04 0.00 -0.51 0.00 0.00 29.16 28.76 3h4e h TRP 80 CO 0.02 0.63 0.42 -0.44 -1.03 0.00 0.00 178.44 178.04 3h4e h ASP 81 N 0.67 1.08 -0.76 2.65 3.32 -0.67 -2.56 116.42 120.15 3h4e h ASP 81 Ca 0.17 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.12 3h4e h ASP 81 Cb 0.19 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 3h4e h ASP 81 CO -0.01 0.90 0.49 -0.09 -1.72 0.00 0.00 179.24 178.80 3h4e h ARG 82 N 1.19 0.94 -0.32 3.56 2.43 -0.96 -2.33 114.38 118.89 3h4e h ARG 82 Ca 0.29 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3h4e h ARG 82 Cb 0.09 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 3h4e h ARG 82 CO -0.04 0.62 0.00 1.28 -1.51 0.00 0.00 179.97 180.32 3h4e n LEU 83 N -4.60 1.36 0.00 3.80 4.77 -0.89 -5.11 117.00 116.34 3h4e n LEU 83 Ca 0.08 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 3h4e n LEU 83 Cb 0.06 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3h4e n LEU 83 CO 0.34 0.30 0.00 1.41 -1.33 0.00 0.00 177.39 178.12 3h4e n HIS 84 N 0.15 0.00 0.00 -1.77 8.25 -0.88 -5.07 115.22 115.90 3h4e n HIS 84 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 3h4e n HIS 84 Cb 0.24 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.35 3h4e n HIS 84 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3h4e n PRO 99 N 0.00 0.00 -1.94 -0.41 -0.04 -1.26 -4.82 135.00 126.52 3h4e n PRO 99 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 3h4e n PRO 99 Cb 0.00 0.00 0.16 0.00 -0.04 0.00 0.00 33.50 33.62 3h4e n PRO 99 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3h4e s ARG 100 N 0.00 0.97 0.18 0.54 0.52 -1.26 -4.89 118.95 115.01 3h4e s ARG 100 Ca 0.00 -0.31 -0.14 0.00 -0.52 0.00 0.00 55.73 54.76 3h4e s ARG 100 Cb 0.00 -1.88 0.08 0.00 0.52 0.00 0.00 34.95 33.67 3h4e s ARG 100 CO 0.00 -2.20 1.84 0.78 0.02 0.00 0.00 175.30 175.74 3h4e h GLY 101 N -1.48 0.77 2.00 -3.53 0.00 -1.92 -1.76 103.07 97.15 3h4e h GLY 101 Ca -0.45 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 46.61 3h4e h GLY 101 CO 0.44 0.26 0.00 1.48 0.00 0.00 0.00 176.54 178.73 3h4e h SER 102 N 0.72 0.00 -0.09 0.19 4.64 -1.94 -2.37 113.55 114.70 3h4e h SER 102 Ca 0.20 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.31 3h4e h SER 102 Cb -0.06 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.04 3h4e h SER 102 CO -0.06 0.00 -0.79 0.44 -0.87 0.00 0.00 176.83 175.55 3h4e h ASP 103 N 0.00 0.86 -0.21 4.97 3.32 -1.66 -0.30 116.42 123.41 3h4e h ASP 103 Ca 0.00 -0.67 -0.08 0.00 0.02 0.00 0.00 57.03 56.30 3h4e h ASP 103 Cb 0.50 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3h4e h ASP 103 CO 0.00 1.40 -0.13 0.40 -1.72 0.00 0.00 179.24 179.19 3h4e h ILE 104 N 0.38 1.24 -0.02 0.35 2.04 -1.04 -2.55 117.51 117.92 3h4e h ILE 104 Ca -0.07 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.69 3h4e h ILE 104 Cb 1.44 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 3h4e h ILE 104 CO 0.16 0.36 0.00 0.00 0.00 0.00 0.00 178.15 178.67 3h4e n ALA 105 N -2.48 2.63 -1.01 1.87 0.00 -0.99 -4.67 120.51 115.87 3h4e n ALA 105 Ca 0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 53.44 53.16 3h4e n ALA 105 Cb 0.34 -1.36 -0.00 0.00 0.00 0.00 0.00 19.45 18.44 3h4e n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h4e n GLY 106 N 1.04 0.47 0.09 0.00 0.00 -0.96 -4.89 105.19 100.94 3h4e n GLY 106 Ca 0.21 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 1.40 0.00 2.61 2.02 -1.31 -3.37 112.91 114.27 3h4e h THR 107 Ca -0.00 -3.05 0.00 0.00 0.77 0.00 0.00 66.41 64.12 3h4e h THR 107 Cb 0.06 2.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 3h4e h THR 107 CO 0.01 0.86 -0.09 0.35 0.37 0.00 0.00 175.52 177.02 3h4e n THR 108 N -3.43 1.08 -4.41 3.16 -2.24 -0.88 -5.01 114.28 102.55 3h4e n THR 108 Ca -0.09 -1.24 -0.26 0.00 -2.27 0.00 0.00 64.05 60.19 3h4e n THR 108 Cb 1.01 0.25 -0.12 0.00 -2.10 0.00 0.00 70.33 69.38 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 -1.66 3.33 0.44 3.42 1.04 -1.26 -4.84 113.70 114.17 3h4e s SER 109 Ca 0.13 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.69 3h4e s SER 109 Cb 0.12 -0.24 -0.01 0.00 0.10 0.00 0.00 66.02 65.99 3h4e s SER 109 CO 0.01 0.09 0.66 0.42 0.98 0.00 0.00 173.24 175.40 3h4e s THR 110 N -1.78 4.13 0.22 2.02 -4.23 -1.26 -4.89 115.64 109.84 3h4e s THR 110 Ca 0.21 -0.49 -0.08 0.00 -1.18 0.00 0.00 61.69 60.14 3h4e s THR 110 Cb -0.07 -3.52 0.16 0.00 1.34 0.00 0.00 72.50 70.40 3h4e s THR 110 CO 0.10 -0.36 1.81 0.25 -0.54 0.00 0.00 174.62 175.87 3h4e h LEU 111 N 0.44 0.57 -0.29 4.79 5.85 -1.99 -0.51 115.31 124.18 3h4e h LEU 111 Ca -0.46 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.34 3h4e h LEU 111 Cb 1.25 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 3h4e h LEU 111 CO 0.58 0.36 -0.00 1.56 -0.34 0.00 0.00 178.44 180.60 3h4e h GLN 112 N 0.71 0.08 -0.33 1.25 7.50 -1.99 0.21 115.11 122.54 3h4e h GLN 112 Ca 0.32 -0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.45 3h4e h GLN 112 Cb 0.22 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.72 3h4e h GLN 112 CO -0.20 0.05 0.16 0.93 -1.50 0.00 0.00 178.83 178.28 3h4e h GLU 113 N 0.08 0.46 -0.58 1.46 5.08 -1.82 -0.37 114.58 118.90 3h4e h GLU 113 Ca 0.14 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.51 3h4e h GLU 113 Cb 0.19 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 3h4e h GLU 113 CO -0.24 0.42 0.26 1.96 -1.00 0.00 0.00 179.01 180.41 3h4e h GLN 114 N 0.39 0.46 -0.82 2.33 4.20 -0.24 -0.31 115.11 121.13 3h4e h GLN 114 Ca 0.11 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 3h4e h GLN 114 Cb 0.10 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 3h4e h GLN 114 CO -0.02 0.30 0.41 0.82 -0.67 0.00 0.00 178.83 179.68 3h4e h ILE 115 N 0.47 1.25 0.23 2.54 2.04 -0.37 -1.87 117.51 121.80 3h4e h ILE 115 Ca 0.28 -0.67 0.01 0.00 1.00 0.00 0.00 64.86 65.47 3h4e h ILE 115 Cb 0.27 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 3h4e h ILE 115 CO -0.24 0.29 -0.27 1.23 0.00 0.00 0.00 178.15 179.17 3h4e h GLY 116 N 1.18 -0.57 0.91 5.37 0.00 0.58 -2.09 103.07 108.44 3h4e h GLY 116 Ca 0.29 0.31 0.02 0.00 0.00 0.00 0.00 47.33 47.94 3h4e h GLY 116 CO -0.04 -0.24 0.35 1.49 0.00 0.00 0.00 176.54 178.10 3h4e h TRP 117 N -0.54 0.66 -0.02 5.60 6.55 -1.13 -1.75 115.95 125.32 3h4e h TRP 117 Ca 0.00 0.02 -0.09 0.00 0.95 0.00 0.00 58.89 59.77 3h4e h TRP 117 Cb 0.52 -0.21 -0.01 0.00 -0.86 0.00 0.00 29.16 28.59 3h4e h TRP 117 CO -0.19 0.38 -0.42 0.52 -1.05 0.00 0.00 178.44 177.68 3h4e h MET 118 N 0.70 0.04 -0.33 0.49 2.86 -1.15 0.94 114.93 118.47 3h4e h MET 118 Ca 0.22 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 3h4e h MET 118 Cb -0.00 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.65 3h4e h MET 118 CO -0.09 0.45 0.00 0.25 1.06 0.00 0.00 176.91 178.59 3h4e n THR 119 N -4.04 0.72 -1.08 2.22 -2.24 -0.80 -4.63 114.28 104.43 3h4e n THR 119 Ca -0.02 -0.86 -0.30 0.00 -2.27 0.00 0.00 64.05 60.61 3h4e n THR 119 Cb 0.45 0.73 0.15 0.00 -2.10 0.00 0.00 70.33 69.56 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 -1.06 2.15 -0.28 4.78 5.04 -0.67 -4.88 115.29 120.36 3h4e s HIS 120 Ca 0.27 1.32 0.01 0.00 -1.54 0.00 0.00 55.06 55.12 3h4e s HIS 120 Cb 0.15 -3.17 0.08 0.00 0.04 0.00 0.00 32.58 29.68 3h4e s HIS 120 CO 0.20 -2.58 0.02 1.21 -2.34 0.00 0.00 174.74 171.25 3h4e s ASN 121 N -3.24 4.13 0.59 9.88 3.84 -1.26 -1.03 114.94 127.85 3h4e s ASN 121 Ca 0.64 -1.57 -0.13 0.00 0.21 0.00 0.00 52.86 52.01 3h4e s ASN 121 Cb -0.19 -1.20 -0.05 0.00 -0.55 0.00 0.00 41.25 39.26 3h4e s ASN 121 CO 0.58 -0.33 1.02 -2.16 -2.79 0.00 0.00 177.10 173.42 3h4e s PRO 122 N 1.33 3.63 0.50 0.43 0.05 -1.26 -5.14 135.00 134.54 3h4e s PRO 122 Ca 0.03 0.88 -0.21 0.00 0.05 0.00 0.00 61.00 61.75 3h4e s PRO 122 Cb -0.18 -2.09 -0.07 0.00 0.05 0.00 0.00 34.50 32.21 3h4e s PRO 122 CO -0.12 -0.54 1.14 -2.14 0.05 0.00 0.00 177.00 175.39 3h4e s PRO 123 N -4.69 3.58 -0.41 0.56 0.02 -0.20 -5.00 135.00 128.84 3h4e s PRO 123 Ca 0.57 1.68 -0.07 0.00 0.02 0.00 0.00 61.00 63.20 3h4e s PRO 123 Cb -0.11 -2.21 0.09 0.00 0.02 0.00 0.00 34.50 32.29 3h4e s PRO 123 CO 0.45 -0.68 0.24 0.42 -0.33 0.00 0.00 177.00 177.10 3h4e s ILE 124 N -1.67 3.93 -1.32 2.83 1.01 0.31 -4.98 121.20 121.31 3h4e s ILE 124 Ca 0.68 -1.59 -0.12 0.00 0.00 0.00 0.00 60.65 59.61 3h4e s ILE 124 Cb -0.26 -3.48 -0.05 0.00 0.01 0.00 0.00 42.46 38.69 3h4e s ILE 124 CO 0.30 -0.55 2.41 -0.81 0.00 0.00 0.00 174.94 176.29 3h4e n PRO 125 N 4.83 2.81 -0.07 2.79 -0.05 -1.26 -3.62 135.00 140.42 3h4e n PRO 125 Ca -0.08 -2.16 0.21 0.00 -0.05 0.00 0.00 63.50 61.41 3h4e n PRO 125 Cb 0.42 -2.93 0.65 0.00 -0.05 0.00 0.00 33.50 31.60 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 3.64 0.71 -0.00 0.52 -1.51 -1.91 0.91 116.25 118.61 3h4e h VAL 126 Ca 0.64 -0.03 -0.00 0.00 -1.23 0.00 0.00 66.70 66.08 3h4e h VAL 126 Cb 0.44 0.61 -0.00 0.00 -2.13 0.00 0.00 31.29 30.21 3h4e h VAL 126 CO 1.79 0.02 0.00 1.23 -1.23 0.00 0.00 177.57 179.38 3h4e h GLY 127 N 0.10 0.01 1.63 5.19 0.00 -1.84 -1.44 103.07 106.71 3h4e h GLY 127 Ca 0.31 -0.01 -0.11 0.00 0.00 0.00 0.00 47.33 47.53 3h4e h GLY 127 CO -0.03 0.00 -0.34 0.83 0.00 0.00 0.00 176.54 177.00 3h4e h GLU 128 N -0.29 0.42 -0.19 4.80 4.39 -1.51 -0.15 114.58 122.05 3h4e h GLU 128 Ca 0.00 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.49 3h4e h GLU 128 Cb 0.30 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 3h4e h GLU 128 CO 0.00 0.71 0.02 0.82 -1.16 0.00 0.00 179.01 179.40 3h4e h ILE 129 N 0.36 1.24 -0.56 3.13 2.04 -0.89 -2.08 117.51 120.75 3h4e h ILE 129 Ca 0.04 -0.80 -0.08 0.00 1.00 0.00 0.00 64.86 65.03 3h4e h ILE 129 Cb 0.77 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 3h4e h ILE 129 CO 0.06 0.24 0.03 0.22 0.00 0.00 0.00 178.15 178.70 3h4e h TYR 130 N 0.10 1.00 -0.32 1.37 3.20 -1.10 -2.32 116.97 118.91 3h4e h TYR 130 Ca 0.06 -0.15 -0.04 0.00 3.14 0.00 0.00 58.73 61.74 3h4e h TYR 130 Cb 0.35 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 3h4e h TYR 130 CO 0.03 0.89 0.01 -0.22 -1.64 0.00 0.00 178.16 177.23 3h4e h LYS 131 N 0.87 0.48 -0.62 1.82 3.64 -0.95 -1.53 116.57 120.29 3h4e h LYS 131 Ca 0.17 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 3h4e h LYS 131 Cb 0.47 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 3h4e h LYS 131 CO 0.02 0.50 0.20 -0.09 -2.27 0.00 0.00 179.45 177.81 3h4e h ARG 132 N 0.47 0.96 -0.41 1.90 2.43 -0.82 -1.36 114.38 117.55 3h4e h ARG 132 Ca 0.10 -0.20 -0.05 0.00 -0.81 0.00 0.00 59.98 59.02 3h4e h ARG 132 Cb 0.29 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 3h4e h ARG 132 CO 0.01 0.84 0.07 -1.49 -1.51 0.00 0.00 179.97 177.89 3h4e h TRP 133 N 0.88 0.72 -0.37 2.20 6.55 -1.17 -1.91 115.95 122.85 3h4e h TRP 133 Ca 0.20 -0.10 -0.00 0.00 0.95 0.00 0.00 58.89 59.94 3h4e h TRP 133 Cb 0.28 -0.20 -0.02 0.00 -0.86 0.00 0.00 29.16 28.37 3h4e h TRP 133 CO 0.02 0.70 0.22 0.82 -1.05 0.00 0.00 178.44 179.15 3h4e h ILE 134 N 0.53 1.13 -0.38 1.49 2.04 -1.14 -1.76 117.51 119.41 3h4e h ILE 134 Ca 0.12 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 3h4e h ILE 134 Cb 0.36 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3h4e h ILE 134 CO 0.01 0.13 0.13 0.40 0.00 0.00 0.00 178.15 178.81 3h4e h ILE 135 N 0.49 1.16 -0.11 -0.67 2.04 -1.17 0.87 117.51 120.12 3h4e h ILE 135 Ca 0.13 -0.53 0.02 0.00 1.00 0.00 0.00 64.86 65.48 3h4e h ILE 135 Cb 0.01 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 3h4e h ILE 135 CO -0.02 0.20 -0.00 -0.07 0.00 0.00 0.00 178.15 178.25 3h4e h LEU 136 N 0.55 -0.05 -0.72 1.44 3.38 -0.83 -0.16 115.31 118.92 3h4e h LEU 136 Ca 0.13 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.15 3h4e h LEU 136 Cb 0.16 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3h4e h LEU 136 CO -0.01 -0.01 0.46 1.23 0.09 0.00 0.00 178.44 180.20 3h4e h GLY 137 N 0.03 1.02 1.01 0.83 0.00 -0.63 -2.44 103.07 102.89 3h4e h GLY 137 Ca 0.05 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 3h4e h GLY 137 CO -0.09 0.33 0.10 1.41 0.00 0.00 0.00 176.54 178.28 3h4e h LEU 138 N 0.92 0.87 -0.65 3.11 3.38 -0.58 -2.36 115.31 120.00 3h4e h LEU 138 Ca 0.28 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 58.04 3h4e h LEU 138 Cb -0.04 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.43 3h4e h LEU 138 CO -0.08 0.90 0.37 0.78 0.09 0.00 0.00 178.44 180.50 3h4e h ASN 139 N 0.80 0.58 -0.16 -0.43 2.35 -0.76 0.27 115.58 118.23 3h4e h ASN 139 Ca 0.17 0.02 0.05 0.00 -0.55 0.00 0.00 56.30 55.99 3h4e h ASN 139 Cb 0.40 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.61 3h4e h ASN 139 CO 0.01 0.39 -0.26 0.11 -1.65 0.00 0.00 177.43 176.03 3h4e h LYS 140 N 0.71 -0.30 -0.71 0.81 1.57 -1.05 -1.24 116.57 116.36 3h4e h LYS 140 Ca 0.28 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.10 3h4e h LYS 140 Cb 0.12 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 3h4e h LYS 140 CO -0.15 -0.20 0.45 0.82 -0.57 0.00 0.00 179.45 179.80 3h4e h ILE 141 N -0.31 1.12 -0.58 1.86 2.04 -0.88 -0.50 117.51 120.26 3h4e h ILE 141 Ca 0.11 -0.31 0.06 0.00 1.00 0.00 0.00 64.86 65.72 3h4e h ILE 141 Cb 0.47 0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.65 3h4e h ILE 141 CO -0.34 0.16 0.29 0.58 0.00 0.00 0.00 178.15 178.84 3h4e h VAL 142 N 0.89 0.92 -0.45 1.67 2.07 -0.59 -0.30 116.25 120.46 3h4e h VAL 142 Ca 0.28 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 3h4e h VAL 142 Cb -0.02 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 3h4e h VAL 142 CO -0.09 0.10 0.22 0.03 0.02 0.00 0.00 177.57 177.84 3h4e h ARG 143 N 0.54 0.64 -0.67 1.57 3.08 -0.10 -2.62 114.38 116.83 3h4e h ARG 143 Ca 0.27 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 60.16 3h4e h ARG 143 Cb 0.20 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 3h4e h ARG 143 CO -0.20 0.55 0.15 0.52 -1.07 0.00 0.00 179.97 179.92 3h4e h MET 144 N 0.58 1.07 -0.01 0.04 2.86 -0.74 -2.93 114.93 115.81 3h4e h MET 144 Ca 0.15 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3h4e h MET 144 Cb 0.11 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.63 3h4e h MET 144 CO -0.02 0.95 -0.01 0.66 1.06 0.00 0.00 176.91 179.55 3h4e n TYR 145 N -4.23 0.00 -1.86 -0.22 4.02 -0.16 -4.83 117.16 109.87 3h4e n TYR 145 Ca 0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.52 3h4e n TYR 145 Cb 0.26 -0.03 -0.03 0.00 -0.02 0.00 0.00 39.34 39.52 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 -2.07 6.53 0.14 7.72 0.15 -1.00 -4.93 113.70 120.24 3h4e s SER 146 Ca 0.42 2.63 -0.11 0.00 0.70 0.00 0.00 55.95 59.59 3h4e s SER 146 Cb 0.21 -2.58 -0.05 0.00 -1.71 0.00 0.00 66.02 61.90 3h4e s SER 146 CO 0.37 -0.90 1.47 -0.65 1.20 0.00 0.00 173.24 174.73 3h4e h PRO 147 N 7.64 0.91 -4.77 5.44 0.11 -1.91 -3.47 132.00 135.96 3h4e h PRO 147 Ca -0.43 -0.48 -0.27 0.00 0.11 0.00 0.00 66.00 64.92 3h4e h PRO 147 Cb 1.21 0.02 -0.17 0.00 0.11 0.00 0.00 31.00 32.16 3h4e h PRO 147 CO 0.93 1.13 -0.72 0.99 -0.21 0.00 0.00 178.00 180.13 3h4e s THR 148 N -4.39 0.77 0.41 -1.15 2.01 -1.26 -5.14 115.64 106.88 3h4e s THR 148 Ca -0.11 -1.64 -0.23 0.00 0.31 0.00 0.00 61.69 60.02 3h4e s THR 148 Cb 0.11 -1.33 -0.10 0.00 0.01 0.00 0.00 72.50 71.19 3h4e s THR 148 CO 0.88 -0.64 0.98 -0.55 -0.69 0.00 0.00 174.62 174.60 3h4e s SER 149 N -2.50 6.91 0.57 3.53 0.15 -1.26 -4.91 113.70 116.19 3h4e s SER 149 Ca 0.05 1.83 0.31 0.00 0.70 0.00 0.00 55.95 58.84 3h4e s SER 149 Cb -0.01 -2.56 1.74 0.00 -1.71 0.00 0.00 66.02 63.47 3h4e s SER 149 CO -0.02 -0.38 2.19 -0.29 1.20 0.00 0.00 173.24 175.94 3h4e h ILE 150 N 2.08 0.46 0.00 6.45 6.09 -1.96 -2.17 117.51 128.46 3h4e h ILE 150 Ca -0.48 -0.23 -0.02 0.00 -1.37 0.00 0.00 64.86 62.76 3h4e h ILE 150 Cb 1.20 1.15 -0.00 0.00 0.47 0.00 0.00 36.82 39.63 3h4e h ILE 150 CO 0.62 0.05 -0.08 -0.07 -3.07 0.00 0.00 178.15 175.60 3h4e h LEU 151 N 0.00 0.00 -1.67 2.19 3.38 -2.01 -2.85 115.31 114.34 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 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3h4e h LEU 151 CO 0.01 0.08 0.00 0.47 0.09 0.00 0.00 178.44 179.08 3h4e n ASP 152 N -3.25 2.45 -4.35 -0.43 8.00 -0.82 -4.80 116.55 113.36 3h4e n ASP 152 Ca -0.00 -2.08 -0.44 0.00 0.71 0.00 0.00 54.79 52.98 3h4e n ASP 152 Cb 0.31 -0.33 -0.07 0.00 -0.02 0.00 0.00 41.12 41.01 3h4e n ASP 152 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h4e s ILE 153 N -1.52 5.10 -0.03 0.53 -1.09 -1.08 -5.03 121.20 118.08 3h4e s ILE 153 Ca 0.28 -1.23 0.03 0.00 -2.23 0.00 0.00 60.65 57.50 3h4e s ILE 153 Cb 0.16 -4.12 0.00 0.00 -1.58 0.00 0.00 42.46 36.92 3h4e s ILE 153 CO 0.17 -0.65 -0.11 -0.13 -1.23 0.00 0.00 174.94 173.00 3h4e s ARG 154 N 1.60 1.07 0.11 2.79 0.52 -1.26 -4.89 118.95 118.89 3h4e s ARG 154 Ca 0.04 -0.36 -0.31 0.00 -0.52 0.00 0.00 55.73 54.57 3h4e s ARG 154 Cb -0.26 -0.99 -0.10 0.00 0.52 0.00 0.00 34.95 34.12 3h4e s ARG 154 CO 0.05 0.15 1.86 -1.14 0.02 0.00 0.00 175.30 176.24 3h4e s GLN 155 N 0.09 4.14 0.91 3.54 0.74 -0.80 -4.96 119.66 123.31 3h4e s GLN 155 Ca -0.02 2.60 -0.12 0.00 0.05 0.00 0.00 55.36 57.87 3h4e s GLN 155 Cb -0.08 -3.70 0.06 0.00 1.10 0.00 0.00 33.01 30.39 3h4e s GLN 155 CO 0.01 -0.87 0.64 0.41 -0.55 0.00 0.00 175.29 174.93 3h4e n GLY 156 N 4.30 -1.46 0.20 2.59 0.00 -1.26 -4.25 105.19 105.31 3h4e n GLY 156 Ca 0.18 -0.69 -0.05 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.49 0.38 -0.28 1.61 0.11 -2.01 -3.09 132.00 127.23 3h4e h PRO 157 Ca -0.44 -0.21 0.00 0.00 0.11 0.00 0.00 66.00 65.47 3h4e h PRO 157 Cb 1.29 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3h4e h PRO 157 CO 0.37 0.77 0.00 1.63 -0.21 0.00 0.00 178.00 180.56 3h4e n LYS 158 N -3.99 2.24 -2.85 1.05 4.01 -1.26 -4.99 118.16 112.37 3h4e n LYS 158 Ca -0.02 -1.85 -0.41 0.00 -0.51 0.00 0.00 58.31 55.51 3h4e n LYS 158 Cb 0.53 -1.28 -0.04 0.00 -0.51 0.00 0.00 35.03 33.74 3h4e n LYS 158 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 3h4e s GLU 159 N -1.01 4.36 0.54 1.97 2.12 -1.17 -5.03 118.70 120.49 3h4e s GLU 159 Ca 0.22 1.11 -0.22 0.00 0.36 0.00 0.00 54.97 56.44 3h4e s GLU 159 Cb 0.12 -3.54 -0.05 0.00 0.26 0.00 0.00 34.13 30.92 3h4e s GLU 159 CO 0.17 -0.25 1.34 -2.14 -0.54 0.00 0.00 175.26 173.84 3h4e s PRO 160 N 1.84 3.18 0.18 4.30 0.02 -1.26 -4.63 135.00 138.64 3h4e s PRO 160 Ca 0.41 2.18 -0.13 0.00 0.02 0.00 0.00 61.00 63.49 3h4e s PRO 160 Cb -0.17 -2.26 0.16 0.00 0.02 0.00 0.00 34.50 32.25 3h4e s PRO 160 CO 0.15 -1.14 1.76 0.35 -0.33 0.00 0.00 177.00 177.79 3h4e h PHE 161 N 1.49 0.35 -0.43 6.54 3.57 -1.96 -2.30 116.94 124.20 3h4e h PHE 161 Ca -0.51 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.10 3h4e h PHE 161 Cb 1.30 -0.08 -0.08 0.00 2.79 0.00 0.00 35.95 39.87 3h4e h PHE 161 CO 0.46 0.13 -0.12 -0.09 -2.23 0.00 0.00 178.31 176.47 3h4e h ARG 162 N 0.39 -0.02 -0.36 1.11 2.43 -1.91 0.88 114.38 116.90 3h4e h ARG 162 Ca 0.23 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.43 3h4e h ARG 162 Cb 0.22 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 3h4e h ARG 162 CO -0.22 -0.01 0.24 -0.44 -1.51 0.00 0.00 179.97 178.03 3h4e h ASP 163 N -0.02 0.34 -0.03 -3.80 3.32 -1.79 0.14 116.42 114.58 3h4e h ASP 163 Ca 0.21 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.12 3h4e h ASP 163 Cb 0.33 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.81 3h4e h ASP 163 CO -0.45 0.24 -0.47 0.22 -1.72 0.00 0.00 179.24 177.06 3h4e h TYR 164 N 0.40 0.54 -0.86 4.55 3.20 -0.86 -2.49 116.97 121.45 3h4e h TYR 164 Ca 0.14 -0.27 -0.01 0.00 3.14 0.00 0.00 58.73 61.74 3h4e h TYR 164 Cb 0.08 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 3h4e h TYR 164 CO -0.00 1.06 0.50 0.28 -1.64 0.00 0.00 178.16 178.36 3h4e h VAL 165 N -0.14 1.24 -0.45 1.81 2.07 -0.36 0.42 116.25 120.85 3h4e h VAL 165 Ca -0.05 -0.57 0.08 0.00 0.82 0.00 0.00 66.70 66.99 3h4e h VAL 165 Cb 1.16 0.06 -0.07 0.00 -1.52 0.00 0.00 31.29 30.92 3h4e h VAL 165 CO 0.09 0.26 0.04 0.44 0.02 0.00 0.00 177.57 178.43 3h4e h ASP 166 N 1.19 -0.11 0.12 0.57 3.45 -0.70 -1.02 116.42 119.91 3h4e h ASP 166 Ca 0.31 0.10 -0.12 0.00 0.43 0.00 0.00 57.03 57.74 3h4e h ASP 166 Cb -0.01 0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.90 3h4e h ASP 166 CO -0.05 -0.02 -0.41 0.03 -1.57 0.00 0.00 179.24 177.21 3h4e h ARG 167 N 0.16 0.38 0.62 3.56 3.08 -0.92 -1.48 114.38 119.78 3h4e h ARG 167 Ca 0.22 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3h4e h ARG 167 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3h4e h ARG 167 CO -0.34 0.73 -0.33 0.35 -1.07 0.00 0.00 179.97 179.31 3h4e h PHE 168 N 0.32 -0.87 0.00 3.04 3.57 -0.20 -2.24 116.94 120.56 3h4e h PHE 168 Ca 0.03 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 3h4e h PHE 168 Cb 0.87 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 3h4e h PHE 168 CO 0.02 -0.52 -0.44 1.88 -2.23 0.00 0.00 178.31 177.02 3h4e h TYR 169 N -0.88 0.00 -0.38 0.41 0.05 -1.20 -0.91 116.97 114.06 3h4e h TYR 169 Ca -0.08 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.70 3h4e h TYR 169 Cb 0.69 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.42 3h4e h TYR 169 CO -0.06 0.44 0.23 -0.22 -1.05 0.00 0.00 178.16 177.50 3h4e h LYS 170 N 0.00 0.52 -0.12 4.88 1.63 -1.31 -1.35 116.57 120.82 3h4e h LYS 170 Ca -0.00 -0.05 -0.09 0.00 -0.85 0.00 0.00 60.65 59.66 3h4e h LYS 170 Cb 1.14 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.66 3h4e h LYS 170 CO 0.06 0.39 -0.26 1.15 -3.45 0.00 0.00 179.45 177.34 3h4e h THR 171 N 0.50 1.38 -0.75 1.00 2.02 -1.19 -2.63 112.91 113.23 3h4e h THR 171 Ca 0.14 -1.54 0.07 0.00 0.77 0.00 0.00 66.41 65.84 3h4e h THR 171 Cb 0.01 2.07 -0.06 0.00 -1.74 0.00 0.00 68.15 68.43 3h4e h THR 171 CO -0.03 0.45 0.44 0.25 0.37 0.00 0.00 175.52 177.00 3h4e h LEU 172 N -0.03 0.65 -0.63 2.58 5.85 -1.19 -1.02 115.31 121.53 3h4e h LEU 172 Ca 0.00 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 3h4e h LEU 172 Cb 0.86 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 3h4e h LEU 172 CO 0.06 0.41 0.23 -0.09 -0.34 0.00 0.00 178.44 178.71 3h4e h ARG 173 N 0.79 0.96 -0.58 1.25 2.43 -1.20 -2.28 114.38 115.75 3h4e h ARG 173 Ca 0.34 -0.19 -0.10 0.00 -0.81 0.00 0.00 59.98 59.22 3h4e h ARG 173 Cb 0.22 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3h4e h ARG 173 CO -0.19 0.82 -0.03 0.00 -1.51 0.00 0.00 179.97 179.06 3h4e h ALA 174 N 1.09 0.85 -0.65 2.80 0.00 -1.14 0.21 119.26 122.43 3h4e h ALA 174 Ca 0.21 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3h4e h ALA 174 Cb 0.24 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3h4e h ALA 174 CO -0.01 0.66 0.19 0.93 0.00 0.00 0.00 179.25 181.02 3h4e h GLU 175 N 0.94 1.02 -0.01 0.00 4.39 -0.96 -2.99 114.58 116.96 3h4e h GLU 175 Ca 0.16 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3h4e h GLU 175 Cb 0.58 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 3h4e h GLU 175 CO 0.03 0.90 -0.54 1.04 -1.16 0.00 0.00 179.01 179.28 3h4e n GLN 176 N -4.34 0.77 -3.86 2.33 3.00 -0.88 -4.78 117.38 109.63 3h4e n GLN 176 Ca 0.04 -0.59 -0.27 0.00 -0.01 0.00 0.00 57.00 56.17 3h4e n GLN 176 Cb 0.22 -1.49 0.02 0.00 0.00 0.00 0.00 30.24 29.00 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 -0.59 -1.62 -3.48 -1.58 0.00 0.61 -4.97 120.51 108.87 3h4e n ALA 177 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.41 3h4e n ALA 177 Cb 0.40 -3.19 -0.03 0.00 0.00 0.00 0.00 19.45 16.63 3h4e n ALA 177 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h4e s SER 178 N -3.80 -0.50 0.00 0.00 0.15 -0.38 -5.02 113.70 104.15 3h4e s SER 178 Ca 0.36 0.18 0.13 0.00 0.70 0.00 0.00 55.95 57.32 3h4e s SER 178 Cb -0.18 0.49 0.01 0.00 -1.71 0.00 0.00 66.02 64.62 3h4e s SER 178 CO 0.84 -0.72 0.75 0.00 1.20 0.00 0.00 173.24 175.31 3h4e n GLN 179 N 0.03 1.79 -2.88 5.44 6.02 -1.26 -3.85 117.38 122.66 3h4e n GLN 179 Ca -0.14 -0.76 -0.44 0.00 -0.01 0.00 0.00 57.00 55.65 3h4e n GLN 179 Cb 0.62 -1.18 -0.01 0.00 1.02 0.00 0.00 30.24 30.69 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 -1.54 3.96 0.00 -1.09 8.01 -1.26 -4.53 118.70 122.25 3h4e s GLU 180 Ca 0.11 -2.29 0.00 0.00 0.01 0.00 0.00 54.97 52.80 3h4e s GLU 180 Cb 0.10 -5.10 0.00 0.00 -4.31 0.00 0.00 34.13 24.82 3h4e s GLU 180 CO 0.30 -1.84 0.00 1.33 0.01 0.00 0.00 175.26 175.06 3h4e n VAL 181 N 5.09 0.00 -1.98 2.63 0.24 -1.26 -4.97 118.33 118.08 3h4e n VAL 181 Ca 0.36 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.40 3h4e n VAL 181 Cb 0.45 0.08 -0.07 0.00 -1.47 0.00 0.00 33.84 32.83 3h4e n VAL 181 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3h4e s LYS 182 N -0.70 2.26 0.51 7.34 2.20 -1.26 -4.73 119.74 125.36 3h4e s LYS 182 Ca 0.00 -0.99 0.06 0.00 -0.36 0.00 0.00 55.97 54.68 3h4e s LYS 182 Cb 0.00 -5.19 0.06 0.00 -1.51 0.00 0.00 37.83 31.19 3h4e s LYS 182 CO 0.00 -4.23 0.47 0.27 -0.36 0.00 0.00 175.35 171.50 3h4e n ASN 183 N 15.33 2.45 0.25 1.43 0.23 -1.26 -4.98 115.26 128.71 3h4e n ASN 183 Ca 0.44 -2.66 0.08 0.00 -0.53 0.00 0.00 54.58 51.92 3h4e n ASN 183 Cb 0.47 -0.13 0.63 0.00 -2.08 0.00 0.00 39.78 38.67 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 0.55 1.74 0.32 -2.53 0.00 -1.99 -1.34 119.26 116.00 3h4e h ALA 184 Ca -0.30 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 3h4e h ALA 184 Cb 1.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3h4e h ALA 184 CO 0.46 0.11 -0.15 0.00 0.00 0.00 0.00 179.25 179.67 3h4e h ALA 185 N 1.91 -0.43 -0.40 0.00 0.00 -1.96 -1.43 119.26 116.95 3h4e h ALA 185 Ca -0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3h4e h ALA 185 Cb 0.17 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3h4e h ALA 185 CO 0.01 -0.61 0.01 1.79 0.00 0.00 0.00 179.25 180.45 3h4e h THR 186 N -0.70 1.22 -0.57 0.00 1.35 -1.80 -0.22 112.91 112.19 3h4e h THR 186 Ca -0.04 -0.86 0.04 0.00 -0.55 0.00 0.00 66.41 64.99 3h4e h THR 186 Cb 0.48 0.90 -0.04 0.00 -1.73 0.00 0.00 68.15 67.76 3h4e h THR 186 CO 0.07 0.30 0.32 -0.33 -0.25 0.00 0.00 175.52 175.63 3h4e h GLU 187 N 0.60 0.60 -0.43 4.72 5.08 -1.13 0.18 114.58 124.21 3h4e h GLU 187 Ca 0.13 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 3h4e h GLU 187 Cb 0.37 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3h4e h GLU 187 CO 0.01 0.40 -0.25 1.15 -1.00 0.00 0.00 179.01 179.32 3h4e h THR 188 N 0.62 1.27 -0.02 1.13 2.02 -0.78 -3.13 112.91 114.03 3h4e h THR 188 Ca 0.24 -1.40 -0.11 0.00 0.77 0.00 0.00 66.41 65.92 3h4e h THR 188 Cb 0.09 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 3h4e h THR 188 CO -0.14 0.47 -0.48 0.25 0.37 0.00 0.00 175.52 175.99 3h4e h LEU 189 N 0.76 0.06 -0.09 2.58 5.85 -0.43 -1.93 115.31 122.11 3h4e h LEU 189 Ca 0.10 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 3h4e h LEU 189 Cb 0.80 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.81 3h4e h LEU 189 CO 0.07 0.54 -0.05 0.25 -0.34 0.00 0.00 178.44 178.91 3h4e h LEU 190 N 0.05 0.19 -0.41 2.25 5.85 -0.62 -2.45 115.31 120.17 3h4e h LEU 190 Ca -0.00 -0.43 -0.08 0.00 0.84 0.00 0.00 57.88 58.22 3h4e h LEU 190 Cb 0.88 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 3h4e h LEU 190 CO 0.07 0.58 -0.05 -0.37 -0.34 0.00 0.00 178.44 178.32 3h4e h VAL 191 N -0.19 1.27 -0.74 1.05 -1.51 -1.57 -3.00 116.25 111.56 3h4e h VAL 191 Ca 0.02 -1.11 0.13 0.00 -1.23 0.00 0.00 66.70 64.51 3h4e h VAL 191 Cb 0.51 1.15 -0.09 0.00 -2.13 0.00 0.00 31.29 30.73 3h4e h VAL 191 CO 0.01 0.38 0.29 0.06 -1.23 0.00 0.00 177.57 177.08 3h4e h GLN 192 N 0.59 0.44 -0.40 5.19 -0.00 -1.34 -2.56 115.11 117.02 3h4e h GLN 192 Ca 0.11 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.73 3h4e h GLN 192 Cb 0.55 -0.10 0.00 0.00 -0.00 0.00 0.00 27.48 27.94 3h4e h GLN 192 CO 0.03 0.29 0.00 0.09 -0.00 0.00 0.00 178.83 179.24 3h4e n ASN 193 N -4.99 2.53 -4.79 0.06 3.02 -0.93 -4.91 115.26 105.24 3h4e n ASN 193 Ca 0.14 -1.93 -0.33 0.00 -0.03 0.00 0.00 54.58 52.43 3h4e n ASN 193 Cb 0.39 -0.26 0.03 0.00 -0.61 0.00 0.00 39.78 39.33 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 2.63 0.91 5.41 0.00 -0.97 -1.91 121.76 126.36 3h4e s ALA 194 Ca 0.34 0.41 -0.11 0.00 0.00 0.00 0.00 51.96 52.60 3h4e s ALA 194 Cb 0.18 -3.26 0.14 0.00 0.00 0.00 0.00 23.12 20.18 3h4e s ALA 194 CO 0.25 -1.03 1.10 0.54 0.00 0.00 0.00 175.76 176.62 3h4e s ASN 195 N -2.82 3.21 0.15 0.00 2.20 -1.26 -4.57 114.94 111.84 3h4e s ASN 195 Ca 0.64 1.77 -0.21 0.00 -0.94 0.00 0.00 52.86 54.12 3h4e s ASN 195 Cb -0.17 -2.39 0.03 0.00 -2.00 0.00 0.00 41.25 36.72 3h4e s ASN 195 CO 0.40 -2.85 1.65 -0.65 -2.94 0.00 0.00 177.10 172.71 3h4e h PRO 196 N -1.69 -0.18 -0.03 3.55 0.11 -1.94 0.13 132.00 131.95 3h4e h PRO 196 Ca -0.48 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.67 3h4e h PRO 196 Cb 1.27 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.39 3h4e h PRO 196 CO 0.49 -0.12 -0.15 -0.44 -0.21 0.00 0.00 178.00 177.57 3h4e h ASP 197 N -0.19 -0.45 -0.41 -2.05 3.32 -1.97 -2.56 116.42 112.11 3h4e h ASP 197 Ca 0.14 0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.18 3h4e h ASP 197 Cb 0.39 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3h4e h ASP 197 CO -0.35 -0.21 -0.05 0.00 -1.72 0.00 0.00 179.24 176.90 3h4e h LYS 199 N 0.57 0.54 -0.08 0.00 3.64 -0.48 0.26 116.57 121.03 3h4e h LYS 199 Ca 0.11 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 3h4e h LYS 199 Cb 0.56 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3h4e h LYS 199 CO 0.03 0.36 -0.28 1.79 -2.27 0.00 0.00 179.45 179.08 3h4e h THR 200 N 0.55 1.42 -0.96 1.00 1.35 -1.38 -2.38 112.91 112.51 3h4e h THR 200 Ca 0.57 -1.65 0.04 0.00 -0.55 0.00 0.00 66.41 64.82 3h4e h THR 200 Cb 1.01 2.26 -0.06 0.00 -1.73 0.00 0.00 68.15 69.63 3h4e h THR 200 CO -0.46 0.47 0.62 0.40 -0.25 0.00 0.00 175.52 176.31 3h4e h ILE 201 N -0.15 1.15 -0.02 6.82 2.04 -1.26 -1.87 117.51 124.22 3h4e h ILE 201 Ca -0.01 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 3h4e h ILE 201 Cb 0.91 -0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 3h4e h ILE 201 CO 0.06 0.22 -0.01 -0.07 0.00 0.00 0.00 178.15 178.35 3h4e h LEU 202 N 1.20 0.05 -2.34 1.44 3.38 -1.00 -2.47 115.31 115.56 3h4e h LEU 202 Ca 0.39 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 58.01 3h4e h LEU 202 Cb 0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3h4e h LEU 202 CO -0.13 0.42 0.15 0.11 0.09 0.00 0.00 178.44 179.08 3h4e h LYS 203 N -0.32 0.00 -0.07 1.13 1.57 -1.24 -0.90 116.57 116.74 3h4e h LYS 203 Ca 0.01 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 3h4e h LYS 203 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 3h4e h LYS 203 CO 0.00 0.00 -0.77 0.00 -0.57 0.00 0.00 179.45 178.11 3h4e h ALA 204 N 1.80 0.54 0.00 3.86 0.00 -0.89 -2.77 119.26 121.80 3h4e h ALA 204 Ca 0.05 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3h4e h ALA 204 Cb 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3h4e h ALA 204 CO -0.00 0.77 0.00 1.28 0.00 0.00 0.00 179.25 181.30 3h4e n LEU 205 N -3.82 0.42 0.00 0.00 4.77 -0.35 -4.98 117.00 113.04 3h4e n LEU 205 Ca -0.05 0.63 0.02 0.00 -0.03 0.00 0.00 56.01 56.59 3h4e n LEU 205 Cb 0.73 -0.61 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 3h4e n LEU 205 CO 0.49 -0.58 -0.03 0.61 -1.33 0.00 0.00 177.39 176.54 3h4e n GLY 206 N -0.49 -2.08 3.81 -0.72 0.00 -1.05 -4.83 105.19 99.84 3h4e n GLY 206 Ca 0.01 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.78 2.44 -0.61 1.61 0.02 -1.26 -4.19 135.00 132.22 3h4e s PRO 207 Ca 0.00 0.78 0.00 0.00 0.02 0.00 0.00 61.00 61.80 3h4e s PRO 207 Cb 0.00 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.57 3h4e s PRO 207 CO 0.00 -1.41 0.00 0.41 -0.33 0.00 0.00 177.00 175.67 3h4e n GLY 208 N -2.03 0.60 3.76 0.52 0.00 -1.26 -5.02 105.19 101.76 3h4e n GLY 208 Ca 0.07 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.26 3.40 0.48 4.61 0.00 -1.26 -5.05 121.76 121.68 3h4e s ALA 209 Ca 0.00 0.38 -0.19 0.00 0.00 0.00 0.00 51.96 52.15 3h4e s ALA 209 Cb 0.00 -3.01 -0.09 0.00 0.00 0.00 0.00 23.12 20.02 3h4e s ALA 209 CO 0.00 0.20 0.99 0.95 0.00 0.00 0.00 175.76 177.89 3h4e s THR 210 N -0.75 4.26 0.36 0.00 -4.23 -1.26 -4.90 115.64 109.12 3h4e s THR 210 Ca 0.38 1.28 0.10 0.00 -1.18 0.00 0.00 61.69 62.26 3h4e s THR 210 Cb -0.23 -3.58 0.33 0.00 1.34 0.00 0.00 72.50 70.36 3h4e s THR 210 CO 0.26 -0.43 1.86 0.25 -0.54 0.00 0.00 174.62 176.02 3h4e h LEU 211 N 1.41 0.64 -0.27 4.79 5.85 -1.99 0.35 115.31 126.08 3h4e h LEU 211 Ca -0.48 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.30 3h4e h LEU 211 Cb 1.19 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 3h4e h LEU 211 CO 0.60 0.31 0.15 -0.08 -0.34 0.00 0.00 178.44 179.08 3h4e h GLU 212 N 0.67 0.30 -0.43 1.25 4.81 -1.99 -1.63 114.58 117.57 3h4e h GLU 212 Ca 0.46 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.67 3h4e h GLU 212 Cb 0.79 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 3h4e h GLU 212 CO -0.22 0.20 0.25 0.93 -0.73 0.00 0.00 179.01 179.44 3h4e h GLU 213 N 0.31 0.58 -0.82 1.92 5.08 -1.35 -1.44 114.58 118.87 3h4e h GLU 213 Ca 0.11 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3h4e h GLU 213 Cb 0.01 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.09 3h4e h GLU 213 CO -0.06 0.44 0.53 0.52 -1.00 0.00 0.00 179.01 179.45 3h4e h MET 214 N 0.56 1.03 -0.01 2.33 2.86 -1.15 -1.90 114.93 118.65 3h4e h MET 214 Ca 0.15 -0.06 -0.17 0.00 -2.06 0.00 0.00 59.70 57.56 3h4e h MET 214 Cb 0.02 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.43 3h4e h MET 214 CO -0.03 0.68 -0.77 0.52 1.06 0.00 0.00 176.91 178.38 3h4e h MET 215 N 1.06 0.10 -0.50 1.72 2.86 -0.99 -2.58 114.93 116.60 3h4e h MET 215 Ca 0.32 -0.09 -0.06 0.00 -2.06 0.00 0.00 59.70 57.80 3h4e h MET 215 Cb -0.05 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 3h4e h MET 215 CO -0.09 0.81 0.06 1.15 1.06 0.00 0.00 176.91 179.90 3h4e h THR 216 N 0.06 1.25 -0.64 2.22 2.02 -1.13 -3.16 112.91 113.53 3h4e h THR 216 Ca -0.02 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.18 3h4e h THR 216 Cb 1.35 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 68.64 3h4e h THR 216 CO 0.11 0.35 0.38 0.00 0.37 0.00 0.00 175.52 176.72 3h4e h ALA 217 N 0.96 0.82 -0.57 6.16 0.00 -1.08 -2.96 119.26 122.59 3h4e h ALA 217 Ca 0.15 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3h4e h ALA 217 Cb 0.43 -0.26 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 3h4e h ALA 217 CO 0.01 0.30 0.16 0.00 0.00 0.00 0.00 179.25 179.73