#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h4e s ILE 2 N 0.00 2.73 0.22 4.25 1.01 -0.03 -1.13 121.20 128.24 3h4e s ILE 2 Ca 0.00 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 59.97 3h4e s ILE 2 Cb 0.00 -2.21 -0.05 0.00 0.01 0.00 0.00 42.46 40.21 3h4e s ILE 2 CO 0.00 0.48 -0.04 0.68 0.00 0.00 0.00 174.94 176.06 3h4e s VAL 3 N 1.38 1.17 -0.20 2.92 -7.23 -0.43 -4.79 120.40 113.23 3h4e s VAL 3 Ca 0.05 -2.06 -0.22 0.00 -1.81 0.00 0.00 61.98 57.95 3h4e s VAL 3 Cb -0.14 -2.24 -0.02 0.00 0.56 0.00 0.00 36.38 34.54 3h4e s VAL 3 CO -0.08 -0.42 0.68 -1.58 -0.31 0.00 0.00 175.10 173.39 3h4e s GLN 4 N -3.81 4.22 0.00 4.82 0.74 -1.26 -0.64 119.66 123.73 3h4e s GLN 4 Ca 0.26 0.71 0.00 0.00 0.05 0.00 0.00 55.36 56.38 3h4e s GLN 4 Cb 0.04 -3.58 0.00 0.00 1.10 0.00 0.00 33.01 30.57 3h4e s GLN 4 CO 0.07 -0.28 0.00 0.27 -0.55 0.00 0.00 175.29 174.81 3h4e n ASN 5 N 5.15 0.00 0.10 6.67 0.23 -0.47 -4.95 115.26 121.99 3h4e n ASN 5 Ca 0.00 -0.20 -0.16 0.00 -0.53 0.00 0.00 54.58 53.70 3h4e n ASN 5 Cb 0.49 0.00 -0.13 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 0.44 0.00 -4.53 8.10 -1.98 -3.20 115.31 114.13 3h4e h LEU 6 Ca 0.00 -0.45 0.00 0.00 0.11 0.00 0.00 57.88 57.54 3h4e h LEU 6 Cb 0.00 -0.14 0.00 0.00 -0.44 0.00 0.00 40.66 40.08 3h4e h LEU 6 CO 0.00 1.34 0.00 0.00 -4.11 0.00 0.00 178.44 175.67 3h4e n GLN 7 N -3.56 0.82 -0.91 0.17 -0.00 -1.26 -4.87 117.38 107.77 3h4e n GLN 7 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.92 3h4e n GLN 7 Cb 1.00 -1.45 0.00 0.00 -0.00 0.00 0.00 30.24 29.78 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 0.61 0.68 3.85 2.61 0.00 -1.21 -5.04 105.19 106.69 3h4e n GLY 8 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3h4e n GLY 8 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3h4e s GLN 9 N -0.09 3.95 -0.41 1.61 0.00 -1.26 -4.81 119.66 118.64 3h4e s GLN 9 Ca 0.00 0.51 -0.27 0.00 -0.00 0.00 0.00 55.36 55.59 3h4e s GLN 9 Cb 0.00 -2.63 0.02 0.00 0.00 0.00 0.00 33.01 30.40 3h4e s GLN 9 CO 0.00 0.29 1.03 -1.64 0.00 0.00 0.00 175.29 174.97 3h4e s MET 10 N -2.67 3.79 0.17 9.60 -1.94 -1.26 -1.37 119.30 125.62 3h4e s MET 10 Ca 0.48 0.59 0.11 0.00 -1.71 0.00 0.00 55.69 55.16 3h4e s MET 10 Cb -0.12 -3.85 -0.04 0.00 2.01 0.00 0.00 34.83 32.83 3h4e s MET 10 CO 0.19 -1.14 -0.23 0.14 -0.01 0.00 0.00 175.02 173.97 3h4e s VAL 11 N 3.90 2.44 0.38 -6.03 -7.23 0.18 -4.90 120.40 109.16 3h4e s VAL 11 Ca 0.43 -1.89 -0.24 0.00 -1.81 0.00 0.00 61.98 58.47 3h4e s VAL 11 Cb -0.10 -2.15 -0.10 0.00 0.56 0.00 0.00 36.38 34.59 3h4e s VAL 11 CO 0.24 -0.05 0.99 -2.28 -0.31 0.00 0.00 175.10 173.69 3h4e s HIS 12 N -1.48 3.42 -0.08 2.82 5.65 -1.26 -1.31 115.29 123.05 3h4e s HIS 12 Ca 0.19 1.68 -0.07 0.00 0.25 0.00 0.00 55.06 57.12 3h4e s HIS 12 Cb -0.09 -2.99 0.03 0.00 -1.18 0.00 0.00 32.58 28.35 3h4e s HIS 12 CO 0.09 -0.22 0.21 -1.14 -0.65 0.00 0.00 174.74 173.03 3h4e s GLN 13 N -2.52 0.22 0.39 2.88 0.74 -0.28 -4.94 119.66 116.16 3h4e s GLN 13 Ca 0.56 0.33 -0.28 0.00 0.05 0.00 0.00 55.36 56.03 3h4e s GLN 13 Cb -0.18 0.06 -0.10 0.00 1.10 0.00 0.00 33.01 33.88 3h4e s GLN 13 CO 0.23 -0.06 1.48 0.00 -0.55 0.00 0.00 175.29 176.38 3h4e s ILE 15 N -1.14 2.37 0.24 0.00 2.07 -1.26 -4.61 121.20 118.87 3h4e s ILE 15 Ca 0.54 0.33 -0.10 0.00 -1.41 0.00 0.00 60.65 60.01 3h4e s ILE 15 Cb -0.46 -3.21 -0.07 0.00 0.13 0.00 0.00 42.46 38.84 3h4e s ILE 15 CO 0.62 0.06 0.57 -0.94 -1.91 0.00 0.00 174.94 173.34 3h4e s SER 16 N 0.21 6.65 0.36 4.50 1.04 -1.26 -4.95 113.70 120.25 3h4e s SER 16 Ca 0.58 0.96 0.11 0.00 0.48 0.00 0.00 55.95 58.09 3h4e s SER 16 Cb -0.44 -2.24 0.90 0.00 0.10 0.00 0.00 66.02 64.33 3h4e s SER 16 CO 0.49 -0.08 1.82 -0.65 0.98 0.00 0.00 173.24 175.80 3h4e h PRO 17 N 2.54 0.59 -0.46 4.02 0.11 -1.99 -0.92 132.00 135.89 3h4e h PRO 17 Ca -0.47 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 3h4e h PRO 17 Cb 1.17 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3h4e h PRO 17 CO 0.69 0.39 0.06 -0.09 -0.21 0.00 0.00 178.00 178.83 3h4e h ARG 18 N 0.61 0.77 -0.00 1.05 2.43 -1.99 -1.40 114.38 115.84 3h4e h ARG 18 Ca 0.52 -0.22 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 3h4e h ARG 18 Cb 1.01 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.47 3h4e h ARG 18 CO -0.27 0.80 0.00 1.15 -1.51 0.00 0.00 179.97 180.14 3h4e h THR 19 N 0.63 1.20 -0.47 0.20 2.02 -1.68 -0.59 112.91 114.22 3h4e h THR 19 Ca 0.14 -0.59 0.09 0.00 0.77 0.00 0.00 66.41 66.82 3h4e h THR 19 Cb 0.41 1.59 -0.08 0.00 -1.74 0.00 0.00 68.15 68.33 3h4e h THR 19 CO 0.01 0.15 -0.07 -0.07 0.37 0.00 0.00 175.52 175.91 3h4e h LEU 20 N -0.24 -0.35 -0.43 2.58 3.38 -1.11 -1.87 115.31 117.27 3h4e h LEU 20 Ca 0.00 0.13 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 3h4e h LEU 20 Cb 0.25 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3h4e h LEU 20 CO 0.00 -0.12 -0.08 -1.13 0.09 0.00 0.00 178.44 177.20 3h4e h ASN 21 N 0.04 0.81 -0.26 -0.43 -1.24 -1.20 -2.58 115.58 110.72 3h4e h ASN 21 Ca 0.23 -0.35 0.05 0.00 0.71 0.00 0.00 56.30 56.94 3h4e h ASN 21 Cb 0.35 -0.22 -0.05 0.00 0.73 0.00 0.00 38.32 39.13 3h4e h ASN 21 CO -0.45 0.97 -0.06 0.00 -1.29 0.00 0.00 177.43 176.60 3h4e h ALA 22 N 0.87 0.17 -0.21 1.57 0.00 -0.47 -0.31 119.26 120.88 3h4e h ALA 22 Ca 0.11 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3h4e h ALA 22 Cb 0.60 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3h4e h ALA 22 CO 0.04 -0.47 0.07 2.35 0.00 0.00 0.00 179.25 181.24 3h4e h TRP 23 N 0.00 0.33 -0.93 0.00 2.91 -1.35 -0.80 115.95 116.11 3h4e h TRP 23 Ca 0.12 -0.03 0.04 0.00 1.13 0.00 0.00 58.89 60.16 3h4e h TRP 23 Cb 0.19 -0.10 -0.06 0.00 -0.51 0.00 0.00 29.16 28.68 3h4e h TRP 23 CO -0.26 0.39 0.60 0.28 -1.03 0.00 0.00 178.44 178.43 3h4e h VAL 24 N 0.18 1.13 -0.33 2.65 2.07 -1.22 -2.51 116.25 118.21 3h4e h VAL 24 Ca 0.07 -0.39 -0.11 0.00 0.82 0.00 0.00 66.70 67.09 3h4e h VAL 24 Cb 0.21 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 3h4e h VAL 24 CO -0.00 0.21 -0.22 0.11 0.02 0.00 0.00 177.57 177.68 3h4e h LYS 25 N 1.14 0.74 -0.47 1.57 1.79 -0.78 -1.99 116.57 118.57 3h4e h LYS 25 Ca 0.38 -0.35 0.08 0.00 -2.18 0.00 0.00 60.65 58.58 3h4e h LYS 25 Cb 0.06 -0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 30.63 3h4e h LYS 25 CO -0.14 0.96 0.09 0.28 -1.08 0.00 0.00 179.45 179.57 3h4e h VAL 26 N 0.51 0.74 -0.69 0.50 2.07 -0.97 0.46 116.25 118.87 3h4e h VAL 26 Ca 0.07 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 3h4e h VAL 26 Cb 0.78 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3h4e h VAL 26 CO 0.06 0.04 0.20 0.58 0.02 0.00 0.00 177.57 178.47 3h4e h VAL 27 N 0.23 1.26 -0.45 2.57 2.07 -1.35 0.44 116.25 121.01 3h4e h VAL 27 Ca 0.23 -0.91 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 3h4e h VAL 27 Cb 0.31 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3h4e h VAL 27 CO -0.31 0.35 0.06 -0.33 0.02 0.00 0.00 177.57 177.37 3h4e h GLU 28 N 1.02 0.70 0.05 1.57 5.08 -0.57 -2.07 114.58 120.36 3h4e h GLU 28 Ca 0.22 -0.15 -0.33 0.00 -1.00 0.00 0.00 59.36 58.10 3h4e h GLU 28 Cb 0.33 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 3h4e h GLU 28 CO -0.00 0.67 -1.91 0.39 -1.00 0.00 0.00 179.01 177.15 3h4e n GLU 29 N -4.27 0.69 -0.00 2.33 1.02 0.08 -4.53 120.64 115.95 3h4e n GLU 29 Ca 0.03 0.26 0.02 0.00 -0.02 0.00 0.00 57.16 57.45 3h4e n GLU 29 Cb 0.24 -1.73 0.02 0.00 -0.02 0.00 0.00 31.44 29.95 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 -3.22 -0.31 0.00 3.49 4.76 0.12 -5.06 118.16 117.93 3h4e n LYS 30 Ca -0.26 -0.79 0.00 0.00 -2.87 0.00 0.00 58.31 54.39 3h4e n LYS 30 Cb 1.05 -1.09 0.00 0.00 -1.84 0.00 0.00 35.03 33.15 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 0.28 0.00 -1.62 7.82 0.00 -0.78 -1.63 120.51 124.58 3h4e n ALA 31 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.44 3h4e n ALA 31 Cb 0.12 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.75 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 14.00 0.80 -1.58 0.00 3.72 -1.26 -4.74 117.46 128.40 3h4e n PHE 32 Ca 0.00 -1.68 -0.41 0.00 -0.05 0.00 0.00 57.45 55.32 3h4e n PHE 32 Cb 0.00 -0.36 0.02 0.00 -0.94 0.00 0.00 39.48 38.20 3h4e n PHE 32 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3h4e n SER 33 N -1.06 0.72 -0.18 4.37 2.88 -0.65 -4.56 113.62 115.14 3h4e n SER 33 Ca 0.28 0.96 0.17 0.00 -1.33 0.00 0.00 58.87 58.94 3h4e n SER 33 Cb 0.84 -1.31 0.52 0.00 -0.75 0.00 0.00 64.21 63.50 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 1.16 0.38 0.00 -1.46 0.11 -1.91 -2.21 132.00 128.07 3h4e h PRO 34 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3h4e h PRO 34 Cb 1.35 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3h4e h PRO 34 CO 0.54 0.25 0.00 -0.85 -0.21 0.00 0.00 178.00 177.73 3h4e n GLU 35 N -4.48 0.01 0.24 1.05 0.00 -1.26 -2.50 120.64 113.70 3h4e n GLU 35 Ca 0.15 0.20 0.10 0.00 0.00 0.00 0.00 57.16 57.62 3h4e n GLU 35 Cb 0.58 -1.51 0.62 0.00 0.00 0.00 0.00 31.44 31.13 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 0.76 -0.01 3.84 2.07 -1.75 -3.06 116.25 118.10 3h4e h VAL 36 Ca 0.00 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 3h4e h VAL 36 Cb 0.31 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3h4e h VAL 36 CO 0.00 0.17 -0.18 0.40 0.02 0.00 0.00 177.57 177.98 3h4e h ILE 37 N 0.00 1.55 -0.45 4.57 2.04 -1.70 -0.77 117.51 122.75 3h4e h ILE 37 Ca -0.00 -1.86 0.07 0.00 1.00 0.00 0.00 64.86 64.07 3h4e h ILE 37 Cb 0.40 2.72 -0.02 0.00 -0.74 0.00 0.00 36.82 39.18 3h4e h ILE 37 CO 0.02 0.50 0.30 -0.65 0.00 0.00 0.00 178.15 178.33 3h4e h PRO 38 N -0.54 0.32 -0.33 2.37 0.11 -1.75 -0.84 132.00 131.35 3h4e h PRO 38 Ca -0.02 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.91 3h4e h PRO 38 Cb 0.92 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 3h4e h PRO 38 CO 0.04 0.21 -0.42 1.98 -0.21 0.00 0.00 178.00 179.60 3h4e h MET 39 N 0.33 0.81 -0.32 1.05 4.05 -1.42 -2.10 114.93 117.33 3h4e h MET 39 Ca 0.20 -0.44 -0.06 0.00 -0.28 0.00 0.00 59.70 59.12 3h4e h MET 39 Cb 0.36 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 3h4e h MET 39 CO -0.05 1.07 -0.03 0.35 0.23 0.00 0.00 176.91 178.49 3h4e h PHE 40 N 0.66 0.64 -0.70 1.39 3.57 -0.40 -0.66 116.94 121.44 3h4e h PHE 40 Ca 0.05 -0.12 0.05 0.00 3.53 0.00 0.00 57.97 61.48 3h4e h PHE 40 Cb 0.99 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.51 3h4e h PHE 40 CO 0.06 0.73 0.42 1.03 -2.23 0.00 0.00 178.31 178.31 3h4e h SER 41 N 0.37 0.64 -0.13 0.41 0.87 -1.10 -2.20 113.55 112.42 3h4e h SER 41 Ca 0.09 0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.51 3h4e h SER 41 Cb 0.49 -0.11 0.01 0.00 -0.44 0.00 0.00 62.40 62.34 3h4e h SER 41 CO 0.02 0.43 -0.51 0.00 -0.53 0.00 0.00 176.83 176.24 3h4e h ALA 42 N 1.34 0.24 0.00 6.23 0.00 -1.25 -2.99 119.26 122.84 3h4e h ALA 42 Ca 0.30 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3h4e h ALA 42 Cb 0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3h4e h ALA 42 CO -0.16 0.43 -0.03 -0.07 0.00 0.00 0.00 179.25 179.43 3h4e h LEU 43 N 0.22 0.00 -3.39 0.00 3.38 -1.00 -2.39 115.31 112.12 3h4e h LEU 43 Ca -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3h4e h LEU 43 Cb 1.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 3h4e h LEU 43 CO 0.11 0.03 0.02 -1.54 0.09 0.00 0.00 178.44 177.15 3h4e n SER 44 N -3.32 4.39 -4.69 -0.43 3.41 -0.84 -4.99 113.62 107.16 3h4e n SER 44 Ca -0.02 -3.06 -0.45 0.00 -0.26 0.00 0.00 58.87 55.08 3h4e n SER 44 Cb 0.15 -0.61 -0.04 0.00 -0.26 0.00 0.00 64.21 63.46 3h4e n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h4e n GLY 46 N 3.84 0.49 3.76 0.00 0.00 -1.26 -4.86 105.19 107.16 3h4e n GLY 46 Ca 0.18 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.93 3.43 0.67 4.61 0.00 -0.54 -0.85 121.76 127.15 3h4e s ALA 47 Ca 0.00 1.00 -0.11 0.00 0.00 0.00 0.00 51.96 52.84 3h4e s ALA 47 Cb 0.00 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 3h4e s ALA 47 CO 0.00 -0.30 1.06 0.95 0.00 0.00 0.00 175.76 177.48 3h4e s THR 48 N -1.09 4.07 0.51 0.00 -4.23 -1.26 -4.39 115.64 109.26 3h4e s THR 48 Ca 0.46 0.67 0.22 0.00 -1.18 0.00 0.00 61.69 61.86 3h4e s THR 48 Cb -0.34 -3.63 0.36 0.00 1.34 0.00 0.00 72.50 70.24 3h4e s THR 48 CO 0.44 -0.88 2.02 -0.65 -0.54 0.00 0.00 174.62 175.01 3h4e h PRO 49 N -0.53 0.06 0.05 3.99 0.11 -1.85 -0.72 132.00 133.11 3h4e h PRO 49 Ca -0.45 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 3h4e h PRO 49 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3h4e h PRO 49 CO 0.62 0.04 -0.03 0.37 -0.21 0.00 0.00 178.00 178.80 3h4e h GLN 50 N 0.06 -0.07 -0.68 1.05 4.15 -1.90 -1.86 115.11 115.85 3h4e h GLN 50 Ca 0.21 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.70 3h4e h GLN 50 Cb 0.76 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.41 3h4e h GLN 50 CO -0.01 0.13 0.38 -0.44 -1.93 0.00 0.00 178.83 176.96 3h4e h ASP 51 N -0.27 0.56 -0.26 -0.69 3.32 -1.67 -0.96 116.42 116.46 3h4e h ASP 51 Ca -0.01 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.12 3h4e h ASP 51 Cb 0.24 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 3h4e h ASP 51 CO 0.01 0.36 0.01 -0.07 -1.72 0.00 0.00 179.24 177.83 3h4e h LEU 52 N 0.69 -0.07 -0.95 1.55 3.38 -1.05 -1.43 115.31 117.43 3h4e h LEU 52 Ca 0.31 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.35 3h4e h LEU 52 Cb 0.20 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 3h4e h LEU 52 CO -0.19 -0.00 0.63 0.78 0.09 0.00 0.00 178.44 179.74 3h4e h ASN 53 N 0.10 1.08 -0.17 -0.43 2.35 -0.82 -2.22 115.58 115.47 3h4e h ASN 53 Ca 0.12 -0.02 0.04 0.00 -0.55 0.00 0.00 56.30 55.88 3h4e h ASN 53 Cb 0.15 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.21 3h4e h ASN 53 CO -0.19 0.77 -0.08 0.74 -1.65 0.00 0.00 177.43 177.03 3h4e h THR 54 N 1.27 0.75 -0.42 2.81 2.02 -0.48 0.28 112.91 119.15 3h4e h THR 54 Ca 0.35 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.56 3h4e h THR 54 Cb -0.12 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 3h4e h THR 54 CO -0.08 0.00 0.24 0.24 0.37 0.00 0.00 175.52 176.28 3h4e h MET 55 N -0.06 0.46 -0.16 6.66 2.86 -1.07 -1.62 114.93 122.00 3h4e h MET 55 Ca 0.09 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 3h4e h MET 55 Cb 0.19 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 3h4e h MET 55 CO -0.21 0.30 0.06 -0.07 1.06 0.00 0.00 176.91 178.06 3h4e h LEU 56 N 0.47 0.23 -1.16 1.22 3.38 -1.01 -3.18 115.31 115.26 3h4e h LEU 56 Ca 0.17 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3h4e h LEU 56 Cb 0.03 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3h4e h LEU 56 CO -0.09 0.35 0.00 0.78 0.09 0.00 0.00 178.44 179.57 3h4e h ASN 57 N 0.10 0.00 0.85 -0.43 2.35 -0.14 -2.57 115.58 115.73 3h4e h ASN 57 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3h4e h ASN 57 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3h4e h ASN 57 CO -0.00 0.00 -0.02 0.35 -1.65 0.00 0.00 177.43 176.10 3h4e n THR 58 N -2.75 0.00 -2.36 2.81 -2.24 -0.64 -4.75 114.28 104.36 3h4e n THR 58 Ca 0.01 -0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.37 3h4e n THR 58 Cb 0.28 -0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 68.02 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 -2.87 3.95 -0.18 2.28 1.01 -0.97 -4.95 120.40 118.68 3h4e s VAL 59 Ca 0.18 1.35 -0.19 0.00 0.00 0.00 0.00 61.98 63.33 3h4e s VAL 59 Cb 0.19 -3.87 -0.22 0.00 0.00 0.00 0.00 36.38 32.49 3h4e s VAL 59 CO 0.52 0.04 0.31 1.23 0.00 0.00 0.00 175.10 177.20 3h4e h GLY 60 N 7.68 0.08 0.00 4.51 0.00 -1.89 -3.49 103.07 109.96 3h4e h GLY 60 Ca -0.38 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.73 3h4e h GLY 60 CO 0.86 0.19 0.00 0.61 0.00 0.00 0.00 176.54 178.20 3h4e n GLY 61 N 1.57 0.67 4.25 4.60 0.00 -1.26 -4.71 105.19 110.31 3h4e n GLY 61 Ca -0.30 -1.71 -0.35 0.00 0.00 0.00 0.00 46.02 43.65 3h4e n GLY 61 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3h4e n HIS 62 N 0.00 -1.59 0.20 1.61 8.25 -1.26 -4.84 115.22 117.59 3h4e n HIS 62 Ca 0.00 0.76 0.07 0.00 -0.26 0.00 0.00 57.72 58.28 3h4e n HIS 62 Cb 0.00 -2.87 0.40 0.00 1.12 0.00 0.00 29.99 28.64 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 -1.47 0.00 0.14 -0.41 1.08 -1.95 -1.54 115.11 110.96 3h4e h GLN 63 Ca -0.60 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 56.61 3h4e h GLN 63 Cb 1.38 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.79 3h4e h GLN 63 CO 0.77 0.33 -0.24 0.00 -0.95 0.00 0.00 178.83 178.74 3h4e h ALA 64 N 1.67 -0.42 -0.34 3.87 0.00 -1.99 0.34 119.26 122.39 3h4e h ALA 64 Ca -0.00 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3h4e h ALA 64 Cb 0.78 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3h4e h ALA 64 CO 0.04 -0.78 0.15 0.00 0.00 0.00 0.00 179.25 178.66 3h4e h ALA 65 N 0.30 0.41 -0.68 0.00 0.00 -1.84 -1.21 119.26 116.24 3h4e h ALA 65 Ca 0.02 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3h4e h ALA 65 Cb 0.46 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3h4e h ALA 65 CO -0.12 -0.24 0.45 0.52 0.00 0.00 0.00 179.25 179.86 3h4e h MET 66 N 0.31 0.73 -0.22 0.00 2.07 -1.11 -0.22 114.93 116.50 3h4e h MET 66 Ca 0.15 -0.04 -0.10 0.00 -2.07 0.00 0.00 59.70 57.63 3h4e h MET 66 Cb 0.09 -0.17 -0.00 0.00 -1.87 0.00 0.00 31.60 29.65 3h4e h MET 66 CO -0.12 0.48 -0.27 0.37 1.07 0.00 0.00 176.91 178.44 3h4e h GLN 67 N 0.75 0.57 -0.62 1.72 5.75 -0.46 -1.86 115.11 120.97 3h4e h GLN 67 Ca 0.28 -0.32 0.06 0.00 -0.15 0.00 0.00 58.65 58.53 3h4e h GLN 67 Cb 0.17 0.02 -0.06 0.00 1.07 0.00 0.00 27.48 28.68 3h4e h GLN 67 CO -0.09 0.92 0.32 0.52 -2.65 0.00 0.00 178.83 177.85 3h4e h MET 68 N 0.25 0.56 -0.94 1.69 2.86 -0.68 -2.26 114.93 116.42 3h4e h MET 68 Ca 0.03 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3h4e h MET 68 Cb 0.84 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 32.33 3h4e h MET 68 CO 0.06 0.37 0.62 1.25 1.06 0.00 0.00 176.91 180.28 3h4e h LEU 69 N 0.58 1.07 -0.46 1.22 5.85 -0.93 -1.27 115.31 121.37 3h4e h LEU 69 Ca 0.29 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.00 3h4e h LEU 69 Cb 0.23 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3h4e h LEU 69 CO -0.21 0.77 0.27 0.50 -0.34 0.00 0.00 178.44 179.43 3h4e h LYS 70 N 1.26 0.53 -0.20 1.25 1.63 -0.78 -0.38 116.57 119.87 3h4e h LYS 70 Ca 0.35 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 60.13 3h4e h LYS 70 Cb -0.12 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.38 3h4e h LYS 70 CO -0.08 0.35 0.10 0.93 -3.45 0.00 0.00 179.45 177.30 3h4e h GLU 71 N 0.54 0.21 -0.48 1.90 5.08 -0.79 -0.68 114.58 120.37 3h4e h GLU 71 Ca 0.18 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.61 3h4e h GLU 71 Cb 0.01 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.15 3h4e h GLU 71 CO -0.08 0.14 0.12 1.15 -1.00 0.00 0.00 179.01 179.34 3h4e h THR 72 N 0.22 0.77 -0.65 1.13 2.02 -1.00 -0.71 112.91 114.68 3h4e h THR 72 Ca 0.08 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 67.20 3h4e h THR 72 Cb 0.01 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 3h4e h THR 72 CO -0.05 0.05 0.39 0.40 0.37 0.00 0.00 175.52 176.68 3h4e h ILE 73 N 0.27 1.06 -0.54 3.11 2.04 -0.61 -1.49 117.51 121.34 3h4e h ILE 73 Ca 0.24 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 3h4e h ILE 73 Cb 0.30 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 3h4e h ILE 73 CO -0.29 0.14 0.32 0.78 0.00 0.00 0.00 178.15 179.10 3h4e h ASN 74 N 0.76 0.66 -0.04 1.72 2.35 -0.45 -0.96 115.58 119.61 3h4e h ASN 74 Ca 0.27 -0.06 0.04 0.00 -0.55 0.00 0.00 56.30 55.99 3h4e h ASN 74 Cb 0.05 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.20 3h4e h ASN 74 CO -0.12 0.53 -0.30 -0.33 -1.65 0.00 0.00 177.43 175.55 3h4e h GLU 75 N 0.73 -0.41 -0.48 0.81 5.08 -0.63 -0.67 114.58 119.01 3h4e h GLU 75 Ca 0.19 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.59 3h4e h GLU 75 Cb -0.01 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3h4e h GLU 75 CO -0.04 -0.27 0.32 0.93 -1.00 0.00 0.00 179.01 178.95 3h4e h GLU 76 N -0.43 0.62 -0.45 2.33 4.39 -1.00 -1.03 114.58 119.01 3h4e h GLU 76 Ca 0.07 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.62 3h4e h GLU 76 Cb 0.54 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 3h4e h GLU 76 CO -0.29 0.41 -0.16 0.00 -1.16 0.00 0.00 179.01 177.82 3h4e h ALA 77 N 1.70 0.62 -0.34 3.43 0.00 -0.64 -0.73 119.26 123.30 3h4e h ALA 77 Ca 0.18 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3h4e h ALA 77 Cb -0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3h4e h ALA 77 CO -0.04 0.56 0.15 0.00 0.00 0.00 0.00 179.25 179.92 3h4e h ALA 78 N 0.86 0.44 -0.85 0.00 0.00 -0.51 -1.11 119.26 118.08 3h4e h ALA 78 Ca 0.11 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3h4e h ALA 78 Cb 0.72 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 3h4e h ALA 78 CO 0.05 0.03 0.55 1.49 0.00 0.00 0.00 179.25 181.37 3h4e h GLU 79 N 0.41 1.05 -0.27 0.00 4.57 -1.14 -0.09 114.58 119.10 3h4e h GLU 79 Ca 0.12 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.23 3h4e h GLU 79 Cb 0.16 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 3h4e h GLU 79 CO -0.01 0.69 0.17 2.35 -1.18 0.00 0.00 179.01 181.03 3h4e h TRP 80 N 1.08 0.36 -0.94 0.92 2.91 -0.73 -1.83 115.95 117.71 3h4e h TRP 80 Ca 0.34 0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.37 3h4e h TRP 80 Cb -0.00 -0.12 -0.05 0.00 -0.51 0.00 0.00 29.16 28.48 3h4e h TRP 80 CO -0.02 0.26 0.61 -0.44 -1.03 0.00 0.00 178.44 177.82 3h4e h ASP 81 N 0.35 1.09 -0.44 2.65 3.32 -0.71 0.23 116.42 122.92 3h4e h ASP 81 Ca 0.10 -0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.16 3h4e h ASP 81 Cb -0.00 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.23 3h4e h ASP 81 CO -0.02 0.80 0.19 -0.09 -1.72 0.00 0.00 179.24 178.41 3h4e h ARG 82 N 1.28 0.38 0.00 3.56 2.43 -0.63 -3.07 114.38 118.33 3h4e h ARG 82 Ca 0.34 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 3h4e h ARG 82 Cb -0.13 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.33 3h4e h ARG 82 CO -0.07 0.25 -0.40 -0.07 -1.51 0.00 0.00 179.97 178.16 3h4e h LEU 83 N 0.39 0.00 -5.81 3.80 3.38 -0.68 -3.39 115.31 113.00 3h4e h LEU 83 Ca 0.20 -0.07 -0.53 0.00 0.09 0.00 0.00 57.88 57.57 3h4e h LEU 83 Cb 0.15 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.49 3h4e h LEU 83 CO -0.17 0.04 -1.00 1.41 0.09 0.00 0.00 178.44 178.81 3h4e n HIS 84 N -2.47 1.41 -1.62 1.13 8.25 0.75 -5.09 115.22 117.57 3h4e n HIS 84 Ca 0.03 -3.86 -0.39 0.00 -0.26 0.00 0.00 57.72 53.24 3h4e n HIS 84 Cb 0.48 -0.44 0.03 0.00 1.12 0.00 0.00 29.99 31.18 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 0.27 1.18 -3.45 -0.41 -0.02 -1.20 -4.79 135.00 126.59 3h4e n PRO 85 Ca 0.27 0.44 -0.37 0.00 -2.02 0.00 0.00 63.50 61.81 3h4e n PRO 85 Cb 0.56 -2.16 -0.06 0.00 -0.02 0.00 0.00 33.50 31.81 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 -1.40 5.23 -0.02 -1.45 1.01 -1.26 -5.05 120.40 117.45 3h4e s VAL 86 Ca 0.70 0.74 -0.24 0.00 0.00 0.00 0.00 61.98 63.18 3h4e s VAL 86 Cb -0.47 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 3h4e s VAL 86 CO 0.52 0.39 0.74 -1.00 0.00 0.00 0.00 175.10 175.75 3h4e s HIS 87 N 0.29 3.65 0.25 5.22 0.09 -1.26 -5.00 115.29 118.52 3h4e s HIS 87 Ca 0.21 1.36 -0.31 0.00 -0.00 0.00 0.00 55.06 56.33 3h4e s HIS 87 Cb -0.14 -2.82 -0.11 0.00 -0.00 0.00 0.00 32.58 29.50 3h4e s HIS 87 CO 0.08 0.16 1.62 0.00 -0.00 0.00 0.00 174.74 176.60 3h4e s ALA 88 N 0.44 3.80 0.00 -1.40 0.00 -1.26 -4.89 121.76 118.46 3h4e s ALA 88 Ca 0.39 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.88 3h4e s ALA 88 Cb -0.19 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.28 3h4e s ALA 88 CO 0.21 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.45 3h4e n GLY 89 N 2.90 2.49 3.82 0.00 0.00 -1.26 -5.12 105.19 108.02 3h4e n GLY 89 Ca 0.11 -1.85 -0.33 0.00 0.00 0.00 0.00 46.02 43.95 3h4e n GLY 89 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3h4e s PRO 90 N -1.69 4.00 -0.18 1.61 0.02 -1.26 -5.04 135.00 132.46 3h4e s PRO 90 Ca 0.00 1.15 -0.18 0.00 0.02 0.00 0.00 61.00 61.99 3h4e s PRO 90 Cb 0.00 -2.14 -0.04 0.00 0.02 0.00 0.00 34.50 32.34 3h4e s PRO 90 CO 0.00 -0.23 0.47 0.42 -0.33 0.00 0.00 177.00 177.33 3h4e s ILE 91 N -2.24 5.16 0.66 2.83 1.09 -1.26 -5.05 121.20 122.39 3h4e s ILE 91 Ca 0.63 0.87 -0.17 0.00 -1.10 0.00 0.00 60.65 60.88 3h4e s ILE 91 Cb -0.11 -3.80 -0.01 0.00 -1.06 0.00 0.00 42.46 37.48 3h4e s ILE 91 CO 0.20 0.24 1.09 0.00 -0.10 0.00 0.00 174.94 176.37 3h4e n ALA 92 N 4.37 0.37 -1.87 9.38 0.00 -1.26 -4.91 120.51 126.60 3h4e n ALA 92 Ca -0.07 -0.07 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 3h4e n ALA 92 Cb 0.51 -2.19 -0.03 0.00 0.00 0.00 0.00 19.45 17.74 3h4e n ALA 92 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3h4e s PRO 93 N -3.21 4.18 0.00 0.00 0.02 -1.26 -2.13 135.00 132.61 3h4e s PRO 93 Ca 0.78 2.41 0.00 0.00 0.02 0.00 0.00 61.00 64.20 3h4e s PRO 93 Cb -0.38 -3.52 0.00 0.00 0.02 0.00 0.00 34.50 30.63 3h4e s PRO 93 CO 0.46 -0.74 0.00 0.41 -0.33 0.00 0.00 177.00 176.79 3h4e n GLY 94 N 4.02 0.38 3.07 0.52 0.00 -1.26 -5.08 105.19 106.84 3h4e n GLY 94 Ca 0.16 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.61 0.55 0.18 1.61 -1.52 -0.91 -5.14 119.66 110.82 3h4e s GLN 95 Ca 0.00 -0.85 -0.20 0.00 -1.95 0.00 0.00 55.36 52.36 3h4e s GLN 95 Cb 0.00 -0.20 -0.08 0.00 -0.22 0.00 0.00 33.01 32.51 3h4e s GLN 95 CO 0.00 0.02 0.68 -1.64 -0.25 0.00 0.00 175.29 174.10 3h4e s MET 96 N -2.04 4.25 0.81 2.91 -1.94 -1.26 -4.79 119.30 117.23 3h4e s MET 96 Ca -0.06 0.83 -0.13 0.00 -1.71 0.00 0.00 55.69 54.62 3h4e s MET 96 Cb -0.07 -3.00 0.08 0.00 2.01 0.00 0.00 34.83 33.86 3h4e s MET 96 CO -0.01 0.47 1.19 -0.98 -0.01 0.00 0.00 175.02 175.68 3h4e s ARG 97 N -1.72 1.68 0.22 2.03 1.70 -1.26 -4.97 118.95 116.63 3h4e s ARG 97 Ca 0.39 1.69 -0.30 0.00 -0.47 0.00 0.00 55.73 57.04 3h4e s ARG 97 Cb -0.18 -1.79 -0.09 0.00 -0.57 0.00 0.00 34.95 32.33 3h4e s ARG 97 CO 0.21 -2.17 1.14 -1.21 -1.08 0.00 0.00 175.30 172.19 3h4e s GLU 98 N -4.22 4.57 -0.06 3.89 2.02 -1.26 -5.01 118.70 118.64 3h4e s GLU 98 Ca 0.72 1.82 -0.30 0.00 0.02 0.00 0.00 54.97 57.22 3h4e s GLU 98 Cb -0.27 -3.23 -0.03 0.00 0.10 0.00 0.00 34.13 30.71 3h4e s GLU 98 CO 0.51 0.07 1.09 -2.14 0.02 0.00 0.00 175.26 174.81 3h4e s PRO 99 N -0.78 4.42 0.92 0.39 0.02 -1.26 -5.00 135.00 133.71 3h4e s PRO 99 Ca 0.49 1.53 -0.13 0.00 0.02 0.00 0.00 61.00 62.91 3h4e s PRO 99 Cb -0.32 -3.52 0.20 0.00 0.02 0.00 0.00 34.50 30.88 3h4e s PRO 99 CO 0.38 -0.32 1.26 1.03 -0.33 0.00 0.00 177.00 179.03 3h4e s ARG 100 N 1.86 0.73 0.18 5.54 1.81 -1.26 -4.91 118.95 122.90 3h4e s ARG 100 Ca 0.53 -0.65 -0.11 0.00 -1.72 0.00 0.00 55.73 53.77 3h4e s ARG 100 Cb -0.22 -1.95 0.09 0.00 -0.45 0.00 0.00 34.95 32.41 3h4e s ARG 100 CO 0.22 -2.28 1.74 0.78 -0.68 0.00 0.00 175.30 175.07 3h4e h GLY 101 N -1.45 0.99 2.00 -3.53 0.00 -1.93 -1.51 103.07 97.65 3h4e h GLY 101 Ca -0.42 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.38 3h4e h GLY 101 CO 0.35 0.50 0.00 1.48 0.00 0.00 0.00 176.54 178.88 3h4e h SER 102 N 0.87 0.00 -0.12 0.19 4.64 -1.94 -2.18 113.55 115.01 3h4e h SER 102 Ca 0.21 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.44 3h4e h SER 102 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3h4e h SER 102 CO -0.02 0.00 -0.28 0.44 -0.87 0.00 0.00 176.83 176.10 3h4e h ASP 103 N 0.00 0.45 -0.64 4.97 3.32 -1.60 -1.38 116.42 121.54 3h4e h ASP 103 Ca 0.00 -0.58 -0.03 0.00 0.02 0.00 0.00 57.03 56.45 3h4e h ASP 103 Cb 0.53 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 3h4e h ASP 103 CO 0.00 0.95 0.30 0.40 -1.72 0.00 0.00 179.24 179.17 3h4e h ILE 104 N -0.03 1.22 0.00 0.35 2.04 -1.20 -2.15 117.51 117.75 3h4e h ILE 104 Ca -0.00 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.23 3h4e h ILE 104 Cb 0.88 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3h4e h ILE 104 CO 0.06 0.26 0.00 0.00 0.00 0.00 0.00 178.15 178.47 3h4e n ALA 105 N -2.44 2.57 -0.98 1.87 0.00 -0.84 -4.67 120.51 116.02 3h4e n ALA 105 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3h4e n ALA 105 Cb 0.14 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3h4e n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h4e n GLY 106 N 0.79 0.50 0.10 0.00 0.00 -0.81 -4.89 105.19 100.88 3h4e n GLY 106 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 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 1.53 0.00 2.61 2.02 -1.50 -3.37 112.91 114.20 3h4e h THR 107 Ca 0.00 -3.11 0.00 0.00 0.77 0.00 0.00 66.41 64.07 3h4e h THR 107 Cb 0.13 2.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.48 3h4e h THR 107 CO 0.00 0.90 -0.07 0.35 0.37 0.00 0.00 175.52 177.07 3h4e n THR 108 N -3.51 0.89 -4.42 3.16 -2.24 -1.00 -5.02 114.28 102.15 3h4e n THR 108 Ca -0.08 -1.00 -0.27 0.00 -2.27 0.00 0.00 64.05 60.44 3h4e n THR 108 Cb 1.02 0.40 -0.12 0.00 -2.10 0.00 0.00 70.33 69.53 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 -1.31 3.40 0.41 3.42 1.04 -1.26 -4.82 113.70 114.57 3h4e s SER 109 Ca 0.09 -0.87 -0.00 0.00 0.48 0.00 0.00 55.95 55.64 3h4e s SER 109 Cb 0.08 -0.25 -0.02 0.00 0.10 0.00 0.00 66.02 65.93 3h4e s SER 109 CO 0.01 0.11 0.63 0.42 0.98 0.00 0.00 173.24 175.40 3h4e s THR 110 N -1.70 4.61 0.27 2.02 -4.23 -1.26 -4.89 115.64 110.46 3h4e s THR 110 Ca 0.21 -0.38 -0.01 0.00 -1.18 0.00 0.00 61.69 60.33 3h4e s THR 110 Cb -0.08 -3.70 0.27 0.00 1.34 0.00 0.00 72.50 70.33 3h4e s THR 110 CO 0.10 -0.51 1.84 0.25 -0.54 0.00 0.00 174.62 175.76 3h4e h LEU 111 N 0.52 0.92 -1.07 4.79 5.85 -1.99 -1.03 115.31 123.30 3h4e h LEU 111 Ca -0.48 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.23 3h4e h LEU 111 Cb 1.23 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 3h4e h LEU 111 CO 0.60 0.52 0.11 1.56 -0.34 0.00 0.00 178.44 180.88 3h4e h GLN 112 N 1.01 0.77 -0.05 1.25 1.08 -1.99 0.17 115.11 117.36 3h4e h GLN 112 Ca 0.47 -0.16 -0.02 0.00 -1.45 0.00 0.00 58.65 57.49 3h4e h GLN 112 Cb 0.39 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.70 3h4e h GLN 112 CO -0.24 0.70 -0.03 0.93 -0.95 0.00 0.00 178.83 179.24 3h4e h GLU 113 N 0.74 0.10 -0.64 1.46 5.08 -1.76 -0.78 114.58 118.78 3h4e h GLU 113 Ca 0.16 -0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.59 3h4e h GLU 113 Cb 0.30 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.46 3h4e h GLU 113 CO 0.00 0.52 0.21 1.96 -1.00 0.00 0.00 179.01 180.71 3h4e h GLN 114 N -0.32 0.36 -0.43 2.33 4.20 -0.95 0.26 115.11 120.56 3h4e h GLN 114 Ca 0.01 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 3h4e h GLN 114 Cb 0.50 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 3h4e h GLN 114 CO 0.01 0.24 -0.12 0.82 -0.67 0.00 0.00 178.83 179.10 3h4e h ILE 115 N 0.37 1.26 0.01 2.54 2.04 -0.94 -1.52 117.51 121.27 3h4e h ILE 115 Ca 0.34 -1.19 0.02 0.00 1.00 0.00 0.00 64.86 65.02 3h4e h ILE 115 Cb 0.47 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 3h4e h ILE 115 CO -0.36 0.41 -0.12 1.23 0.00 0.00 0.00 178.15 179.31 3h4e h GLY 116 N 0.97 -0.15 1.00 5.37 0.00 0.66 -1.82 103.07 109.11 3h4e h GLY 116 Ca 0.12 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.58 3h4e h GLY 116 CO 0.04 -0.12 0.03 1.49 0.00 0.00 0.00 176.54 177.98 3h4e h TRP 117 N -0.20 0.06 -0.02 5.60 6.55 -0.32 -1.89 115.95 125.74 3h4e h TRP 117 Ca 0.04 0.00 -0.07 0.00 0.95 0.00 0.00 58.89 59.81 3h4e h TRP 117 Cb 0.25 -0.02 -0.01 0.00 -0.86 0.00 0.00 29.16 28.52 3h4e h TRP 117 CO -0.17 0.04 -0.34 0.52 -1.05 0.00 0.00 178.44 177.44 3h4e h MET 118 N 0.07 0.03 -0.45 0.49 2.86 -1.16 0.58 114.93 117.35 3h4e h MET 118 Ca 0.02 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3h4e h MET 118 Cb -0.01 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.65 3h4e h MET 118 CO -0.00 0.36 0.00 0.25 1.06 0.00 0.00 176.91 178.58 3h4e n THR 119 N -4.13 1.14 -1.29 2.22 -2.24 -0.69 -4.63 114.28 104.66 3h4e n THR 119 Ca -0.02 -1.07 -0.31 0.00 -2.27 0.00 0.00 64.05 60.38 3h4e n THR 119 Cb 0.38 0.43 0.10 0.00 -2.10 0.00 0.00 70.33 69.14 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 -1.18 2.56 -0.30 4.78 5.04 -0.71 -4.88 115.29 120.60 3h4e s HIS 120 Ca 0.32 1.43 0.02 0.00 -1.54 0.00 0.00 55.06 55.29 3h4e s HIS 120 Cb 0.18 -3.07 0.09 0.00 0.04 0.00 0.00 32.58 29.82 3h4e s HIS 120 CO 0.20 -1.92 0.01 0.54 -2.34 0.00 0.00 174.74 171.23 3h4e s ASN 121 N -3.47 4.40 0.54 9.88 6.03 -1.26 -0.19 114.94 130.87 3h4e s ASN 121 Ca 0.61 -1.75 -0.12 0.00 -1.03 0.00 0.00 52.86 50.57 3h4e s ASN 121 Cb -0.17 -1.38 -0.06 0.00 -3.03 0.00 0.00 41.25 36.61 3h4e s ASN 121 CO 0.56 -0.33 0.95 -2.16 -2.03 0.00 0.00 177.10 174.09 3h4e s PRO 122 N 1.16 3.74 0.56 3.55 0.05 -1.26 -5.15 135.00 137.65 3h4e s PRO 122 Ca 0.04 0.71 -0.19 0.00 0.05 0.00 0.00 61.00 61.62 3h4e s PRO 122 Cb -0.19 -2.18 -0.05 0.00 0.05 0.00 0.00 34.50 32.13 3h4e s PRO 122 CO -0.10 -0.35 1.13 -2.14 0.05 0.00 0.00 177.00 175.59 3h4e s PRO 123 N -4.57 3.26 -0.36 0.56 0.02 0.74 -5.01 135.00 129.64 3h4e s PRO 123 Ca 0.55 1.60 -0.03 0.00 0.02 0.00 0.00 61.00 63.14 3h4e s PRO 123 Cb -0.10 -1.99 0.08 0.00 0.02 0.00 0.00 34.50 32.50 3h4e s PRO 123 CO 0.42 -0.92 0.12 0.42 -0.33 0.00 0.00 177.00 176.71 3h4e s ILE 124 N -1.82 3.25 -1.27 2.83 1.01 0.18 -4.97 121.20 120.41 3h4e s ILE 124 Ca 0.72 -1.69 -0.16 0.00 0.00 0.00 0.00 60.65 59.52 3h4e s ILE 124 Cb -0.24 -3.05 -0.02 0.00 0.01 0.00 0.00 42.46 39.16 3h4e s ILE 124 CO 0.29 -0.41 2.17 -0.81 0.00 0.00 0.00 174.94 176.18 3h4e n PRO 125 N 4.63 2.49 0.23 2.79 -0.05 -1.26 -3.36 135.00 140.48 3h4e n PRO 125 Ca -0.07 -2.36 0.07 0.00 -0.05 0.00 0.00 63.50 61.09 3h4e n PRO 125 Cb 0.42 -3.16 0.61 0.00 -0.05 0.00 0.00 33.50 31.33 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 4.09 1.02 0.17 0.52 -1.51 -1.91 -1.40 116.25 117.23 3h4e h VAL 126 Ca 0.54 -0.04 -0.01 0.00 -1.23 0.00 0.00 66.70 65.96 3h4e h VAL 126 Cb 0.63 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 3h4e h VAL 126 CO 1.90 0.02 -0.08 1.23 -1.23 0.00 0.00 177.57 179.41 3h4e h GLY 127 N 0.09 -0.23 1.49 5.19 0.00 -1.85 -0.54 103.07 107.21 3h4e h GLY 127 Ca 0.02 0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.36 3h4e h GLY 127 CO -0.00 -0.08 -0.09 0.83 0.00 0.00 0.00 176.54 177.20 3h4e h GLU 128 N -0.43 0.62 -0.19 4.80 4.39 -1.70 0.13 114.58 122.19 3h4e h GLU 128 Ca -0.02 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.47 3h4e h GLU 128 Cb 0.34 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3h4e h GLU 128 CO 0.04 0.70 0.01 0.82 -1.16 0.00 0.00 179.01 179.42 3h4e h ILE 129 N 0.57 1.24 -0.56 3.13 2.04 -1.23 -1.80 117.51 120.91 3h4e h ILE 129 Ca 0.11 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 3h4e h ILE 129 Cb 0.49 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 3h4e h ILE 129 CO 0.03 0.25 0.26 0.22 0.00 0.00 0.00 178.15 178.90 3h4e h TYR 130 N 0.10 0.81 -0.72 1.37 3.20 -0.83 -2.73 116.97 118.18 3h4e h TYR 130 Ca 0.06 -0.04 0.07 0.00 3.14 0.00 0.00 58.73 61.95 3h4e h TYR 130 Cb 0.36 -0.25 -0.06 0.00 1.54 0.00 0.00 36.73 38.32 3h4e h TYR 130 CO 0.03 0.63 0.40 -0.22 -1.64 0.00 0.00 178.16 177.36 3h4e h LYS 131 N 0.75 0.69 -0.49 1.82 3.64 -0.67 -1.60 116.57 120.71 3h4e h LYS 131 Ca 0.19 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.60 3h4e h LYS 131 Cb 0.14 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 31.74 3h4e h LYS 131 CO -0.02 0.46 0.17 -0.09 -2.27 0.00 0.00 179.45 177.69 3h4e h ARG 132 N 0.71 0.33 -0.83 1.90 2.43 -1.03 -0.73 114.38 117.15 3h4e h ARG 132 Ca 0.33 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.46 3h4e h ARG 132 Cb 0.24 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 3h4e h ARG 132 CO -0.20 0.22 0.45 -1.49 -1.51 0.00 0.00 179.97 177.43 3h4e h TRP 133 N 0.34 1.15 -0.45 2.20 6.55 -1.10 -1.51 115.95 123.13 3h4e h TRP 133 Ca 0.24 -0.03 -0.03 0.00 0.95 0.00 0.00 58.89 60.02 3h4e h TRP 133 Cb 0.26 -0.37 -0.02 0.00 -0.86 0.00 0.00 29.16 28.18 3h4e h TRP 133 CO -0.17 0.80 0.18 0.82 -1.05 0.00 0.00 178.44 179.02 3h4e h ILE 134 N 1.16 1.20 -0.29 1.49 2.04 -0.89 -2.37 117.51 119.85 3h4e h ILE 134 Ca 0.29 -0.62 -0.10 0.00 1.00 0.00 0.00 64.86 65.43 3h4e h ILE 134 Cb 0.04 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3h4e h ILE 134 CO -0.05 0.23 -0.24 0.40 0.00 0.00 0.00 178.15 178.50 3h4e h ILE 135 N 0.58 1.27 -0.29 -0.67 2.04 -0.94 0.13 117.51 119.62 3h4e h ILE 135 Ca 0.15 -1.28 0.06 0.00 1.00 0.00 0.00 64.86 64.79 3h4e h ILE 135 Cb 0.19 1.30 -0.06 0.00 -0.74 0.00 0.00 36.82 37.51 3h4e h ILE 135 CO -0.01 0.41 -0.07 -0.07 0.00 0.00 0.00 178.15 178.41 3h4e h LEU 136 N 0.50 -0.27 -0.58 1.44 3.38 -1.09 -0.22 115.31 118.46 3h4e h LEU 136 Ca 0.07 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3h4e h LEU 136 Cb 0.68 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 3h4e h LEU 136 CO 0.05 -0.10 0.24 1.23 0.09 0.00 0.00 178.44 179.96 3h4e h GLY 137 N 0.00 0.92 1.18 0.83 0.00 -0.92 -2.72 103.07 102.37 3h4e h GLY 137 Ca 0.14 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 3h4e h GLY 137 CO -0.30 0.47 0.47 1.41 0.00 0.00 0.00 176.54 178.58 3h4e h LEU 138 N 0.80 0.96 -0.85 3.11 3.38 -0.53 -2.24 115.31 119.95 3h4e h LEU 138 Ca 0.19 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3h4e h LEU 138 Cb 0.18 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 3h4e h LEU 138 CO -0.02 0.75 0.46 0.78 0.09 0.00 0.00 178.44 180.51 3h4e h ASN 139 N 1.10 1.06 -0.29 -0.43 2.35 -0.90 0.12 115.58 118.59 3h4e h ASN 139 Ca 0.29 -0.10 0.02 0.00 -0.55 0.00 0.00 56.30 55.95 3h4e h ASN 139 Cb -0.02 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.06 3h4e h ASN 139 CO -0.05 0.85 0.16 0.11 -1.65 0.00 0.00 177.43 176.85 3h4e h LYS 140 N 1.18 0.32 -0.62 0.81 1.57 -1.15 -1.57 116.57 117.11 3h4e h LYS 140 Ca 0.30 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 59.01 3h4e h LYS 140 Cb 0.03 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 3h4e h LYS 140 CO -0.05 0.21 0.19 0.82 -0.57 0.00 0.00 179.45 180.06 3h4e h ILE 141 N 0.33 1.25 -0.53 1.86 2.04 -0.97 -1.33 117.51 120.16 3h4e h ILE 141 Ca 0.12 -0.84 0.03 0.00 1.00 0.00 0.00 64.86 65.17 3h4e h ILE 141 Cb 0.02 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 3h4e h ILE 141 CO -0.07 0.32 0.30 0.58 0.00 0.00 0.00 178.15 179.28 3h4e h VAL 142 N 0.89 1.03 -0.63 1.67 2.07 -0.74 -0.87 116.25 119.66 3h4e h VAL 142 Ca 0.20 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3h4e h VAL 142 Cb 0.29 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 3h4e h VAL 142 CO -0.01 0.11 0.34 -0.09 0.02 0.00 0.00 177.57 177.94 3h4e h ARG 143 N 0.60 0.89 -0.44 1.57 1.12 -0.94 -2.77 114.38 114.42 3h4e h ARG 143 Ca 0.22 -0.11 -0.09 0.00 -1.11 0.00 0.00 59.98 58.88 3h4e h ARG 143 Cb 0.05 -0.17 -0.02 0.00 -0.01 0.00 0.00 29.97 29.82 3h4e h ARG 143 CO -0.11 0.68 -0.10 0.52 -3.11 0.00 0.00 179.97 177.85 3h4e h MET 144 N 0.87 0.78 -0.01 0.20 2.07 -0.88 -3.07 114.93 114.88 3h4e h MET 144 Ca 0.22 -0.26 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 3h4e h MET 144 Cb 0.06 -0.07 0.00 0.00 -1.87 0.00 0.00 31.60 29.72 3h4e h MET 144 CO -0.03 0.85 -0.06 0.66 1.07 0.00 0.00 176.91 179.40 3h4e n TYR 145 N -4.17 0.00 -1.77 -0.22 4.02 -0.37 -4.85 117.16 109.81 3h4e n TYR 145 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.48 3h4e n TYR 145 Cb 0.36 -0.06 -0.03 0.00 -0.02 0.00 0.00 39.34 39.59 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 -2.19 6.48 0.10 7.72 0.15 -1.06 -4.90 113.70 120.00 3h4e s SER 146 Ca 0.36 2.66 0.20 0.00 0.70 0.00 0.00 55.95 59.87 3h4e s SER 146 Cb 0.21 -2.56 0.81 0.00 -1.71 0.00 0.00 66.02 62.77 3h4e s SER 146 CO 0.40 -0.98 1.61 -2.65 1.20 0.00 0.00 173.24 172.82 3h4e n PRO 147 N 6.06 0.08 -3.73 5.44 -0.02 -1.26 -4.84 135.00 136.73 3h4e n PRO 147 Ca 0.18 0.28 -0.14 0.00 -2.02 0.00 0.00 63.50 61.80 3h4e n PRO 147 Cb 0.39 -1.64 -0.09 0.00 -0.02 0.00 0.00 33.50 32.15 3h4e n PRO 147 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3h4e s THR 148 N -3.11 0.04 0.41 3.45 2.01 -1.26 -5.16 115.64 112.02 3h4e s THR 148 Ca 0.07 -0.32 -0.23 0.00 0.31 0.00 0.00 61.69 61.52 3h4e s THR 148 Cb 0.10 -0.65 -0.09 0.00 0.01 0.00 0.00 72.50 71.87 3h4e s THR 148 CO 0.35 -0.18 1.01 -0.55 -0.69 0.00 0.00 174.62 174.57 3h4e s SER 149 N -1.00 6.82 0.57 3.53 0.15 -1.26 -4.95 113.70 117.56 3h4e s SER 149 Ca -0.11 1.92 0.28 0.00 0.70 0.00 0.00 55.95 58.74 3h4e s SER 149 Cb -0.04 -2.57 1.69 0.00 -1.71 0.00 0.00 66.02 63.38 3h4e s SER 149 CO 0.04 -0.44 2.20 -0.29 1.20 0.00 0.00 173.24 175.95 3h4e h ILE 150 N 2.10 0.57 0.00 6.45 6.09 -1.97 -1.74 117.51 129.01 3h4e h ILE 150 Ca -0.48 -0.16 -0.01 0.00 -1.37 0.00 0.00 64.86 62.83 3h4e h ILE 150 Cb 1.20 1.10 -0.00 0.00 0.47 0.00 0.00 36.82 39.60 3h4e h ILE 150 CO 0.62 0.04 -0.06 -0.07 -3.07 0.00 0.00 178.15 175.60 3h4e h LEU 151 N 0.00 0.00 -1.84 2.19 3.38 -2.01 -2.91 115.31 114.13 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 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3h4e h LEU 151 CO 0.00 0.06 0.00 0.47 0.09 0.00 0.00 178.44 179.07 3h4e n ASP 152 N -3.25 2.70 -4.43 -0.43 8.00 -0.65 -4.80 116.55 113.69 3h4e n ASP 152 Ca -0.01 -1.94 -0.44 0.00 0.71 0.00 0.00 54.79 53.11 3h4e n ASP 152 Cb 0.28 -0.29 -0.06 0.00 -0.02 0.00 0.00 41.12 41.03 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 -1.43 4.95 -0.04 0.53 -1.09 -1.10 -5.03 121.20 118.00 3h4e s ILE 153 Ca 0.35 -0.67 0.03 0.00 -2.23 0.00 0.00 60.65 58.13 3h4e s ILE 153 Cb 0.19 -4.28 0.00 0.00 -1.58 0.00 0.00 42.46 36.80 3h4e s ILE 153 CO 0.26 -0.78 -0.12 -0.13 -1.23 0.00 0.00 174.94 172.94 3h4e s ARG 154 N 2.40 1.31 0.13 2.79 0.52 -1.26 -4.83 118.95 120.01 3h4e s ARG 154 Ca 0.12 -0.40 -0.31 0.00 -0.52 0.00 0.00 55.73 54.62 3h4e s ARG 154 Cb -0.21 -1.16 -0.10 0.00 0.52 0.00 0.00 34.95 34.00 3h4e s ARG 154 CO 0.10 0.13 1.72 -1.14 0.02 0.00 0.00 175.30 176.12 3h4e s GLN 155 N 0.27 4.16 1.01 3.54 0.74 -0.83 -4.96 119.66 123.59 3h4e s GLN 155 Ca -0.06 2.49 -0.13 0.00 0.05 0.00 0.00 55.36 57.71 3h4e s GLN 155 Cb -0.11 -3.42 0.14 0.00 1.10 0.00 0.00 33.01 30.72 3h4e s GLN 155 CO 0.01 -0.76 0.73 0.41 -0.55 0.00 0.00 175.29 175.14 3h4e n GLY 156 N 4.04 -1.52 0.15 2.59 0.00 -1.26 -4.32 105.19 104.86 3h4e n GLY 156 Ca 0.16 -0.83 -0.06 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.99 0.19 -0.32 1.61 0.11 -2.02 -3.19 132.00 126.38 3h4e h PRO 157 Ca -0.49 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 65.47 3h4e h PRO 157 Cb 1.30 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3h4e h PRO 157 CO 0.40 0.80 0.00 1.63 -0.21 0.00 0.00 178.00 180.63 3h4e n LYS 158 N -3.79 2.86 -3.02 1.05 4.01 -1.26 -5.00 118.16 113.01 3h4e n LYS 158 Ca -0.02 -2.00 -0.40 0.00 -0.51 0.00 0.00 58.31 55.37 3h4e n LYS 158 Cb 0.68 -1.25 -0.05 0.00 -0.51 0.00 0.00 35.03 33.90 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 -1.00 4.30 0.46 1.97 2.12 -1.21 -5.03 118.70 120.31 3h4e s GLU 159 Ca 0.21 0.83 -0.24 0.00 0.36 0.00 0.00 54.97 56.13 3h4e s GLU 159 Cb 0.11 -3.54 -0.08 0.00 0.26 0.00 0.00 34.13 30.87 3h4e s GLU 159 CO 0.15 -0.20 1.24 -2.30 -0.54 0.00 0.00 175.26 173.61 3h4e n PRO 160 N 4.80 1.74 -0.19 4.30 -0.02 -1.26 -4.65 135.00 139.72 3h4e n PRO 160 Ca 0.01 0.63 -0.02 0.00 -2.02 0.00 0.00 63.50 62.10 3h4e n PRO 160 Cb 0.50 -2.37 0.09 0.00 -0.02 0.00 0.00 33.50 31.69 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 1.77 0.46 -0.60 6.00 3.57 -1.96 -2.48 116.94 123.69 3h4e h PHE 161 Ca -0.48 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.13 3h4e h PHE 161 Cb 1.31 -0.12 -0.07 0.00 2.79 0.00 0.00 35.95 39.86 3h4e h PHE 161 CO 0.46 0.17 0.24 -0.09 -2.23 0.00 0.00 178.31 176.86 3h4e h ARG 162 N 0.47 0.41 -0.30 1.11 2.43 -1.91 0.38 114.38 116.97 3h4e h ARG 162 Ca 0.28 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.38 3h4e h ARG 162 Cb 0.27 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3h4e h ARG 162 CO -0.24 0.27 0.02 -0.44 -1.51 0.00 0.00 179.97 178.07 3h4e h ASP 163 N 0.43 0.42 -0.21 -3.80 3.32 -1.82 0.31 116.42 115.07 3h4e h ASP 163 Ca 0.30 -0.07 -0.18 0.00 0.02 0.00 0.00 57.03 57.11 3h4e h ASP 163 Cb 0.35 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3h4e h ASP 163 CO -0.29 0.47 -0.57 0.22 -1.72 0.00 0.00 179.24 177.35 3h4e h TYR 164 N 0.44 0.98 -0.47 4.55 3.20 -1.01 -2.24 116.97 122.43 3h4e h TYR 164 Ca 0.10 -0.38 -0.09 0.00 3.14 0.00 0.00 58.73 61.49 3h4e h TYR 164 Cb 0.26 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 3h4e h TYR 164 CO 0.01 1.19 -0.08 0.28 -1.64 0.00 0.00 178.16 177.92 3h4e h VAL 165 N 0.48 1.26 0.09 1.81 2.07 -0.48 0.36 116.25 121.84 3h4e h VAL 165 Ca -0.01 -1.15 0.02 0.00 0.82 0.00 0.00 66.70 66.38 3h4e h VAL 165 Cb 1.19 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.91 3h4e h VAL 165 CO 0.12 0.40 -0.25 0.44 0.02 0.00 0.00 177.57 178.30 3h4e h ASP 166 N 0.75 -0.72 -0.85 0.57 3.45 -0.91 -1.03 116.42 117.68 3h4e h ASP 166 Ca 0.13 0.09 -0.01 0.00 0.43 0.00 0.00 57.03 57.67 3h4e h ASP 166 Cb 0.57 0.28 -0.04 0.00 -0.56 0.00 0.00 39.33 39.58 3h4e h ASP 166 CO 0.04 -0.34 0.49 0.03 -1.57 0.00 0.00 179.24 177.89 3h4e h ARG 167 N -0.44 1.17 0.23 3.56 3.08 -1.09 -0.54 114.38 120.35 3h4e h ARG 167 Ca 0.04 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3h4e h ARG 167 Cb 0.48 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 3h4e h ARG 167 CO -0.16 0.84 -0.25 0.35 -1.07 0.00 0.00 179.97 179.68 3h4e h PHE 168 N 1.18 -0.66 -0.00 3.04 3.57 -0.67 -1.86 116.94 121.54 3h4e h PHE 168 Ca 0.30 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.64 3h4e h PHE 168 Cb -0.01 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 3h4e h PHE 168 CO 0.00 -0.36 -0.78 1.88 -2.23 0.00 0.00 178.31 176.82 3h4e h TYR 169 N -0.52 0.10 -0.29 0.41 0.05 -1.02 -0.87 116.97 114.84 3h4e h TYR 169 Ca 0.00 -0.05 0.01 0.00 0.05 0.00 0.00 58.73 58.74 3h4e h TYR 169 Cb 0.49 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.20 3h4e h TYR 169 CO -0.18 0.82 0.16 -0.22 -1.05 0.00 0.00 178.16 177.70 3h4e h LYS 170 N 0.04 0.33 -0.27 4.88 3.64 -1.08 -1.04 116.57 123.06 3h4e h LYS 170 Ca -0.02 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3h4e h LYS 170 Cb 1.38 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 3h4e h LYS 170 CO 0.11 0.22 0.08 1.15 -2.27 0.00 0.00 179.45 178.73 3h4e h THR 171 N 0.34 1.21 -0.93 1.00 2.02 -1.19 -2.30 112.91 113.05 3h4e h THR 171 Ca 0.11 -0.67 0.03 0.00 0.77 0.00 0.00 66.41 66.65 3h4e h THR 171 Cb 0.00 1.13 -0.05 0.00 -1.74 0.00 0.00 68.15 67.50 3h4e h THR 171 CO -0.06 0.22 0.61 0.25 0.37 0.00 0.00 175.52 176.91 3h4e h LEU 172 N 0.27 1.03 -0.51 2.58 5.85 -1.05 -1.97 115.31 121.51 3h4e h LEU 172 Ca 0.09 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 3h4e h LEU 172 Cb 0.26 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3h4e h LEU 172 CO -0.00 0.72 0.07 -0.09 -0.34 0.00 0.00 178.44 178.80 3h4e h ARG 173 N 1.20 0.85 -0.96 1.25 2.43 -1.02 -2.87 114.38 115.26 3h4e h ARG 173 Ca 0.36 -0.24 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 3h4e h ARG 173 Cb -0.05 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.36 3h4e h ARG 173 CO -0.10 0.85 0.62 0.00 -1.51 0.00 0.00 179.97 179.83 3h4e h ALA 174 N 0.97 1.22 -3.00 2.80 0.00 -0.92 -3.47 119.26 116.86 3h4e h ALA 174 Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3h4e h ALA 174 Cb 0.42 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3h4e h ALA 174 CO 0.01 0.63 0.00 0.39 0.00 0.00 0.00 179.25 180.28 3h4e n GLU 175 N -4.40 0.00 0.00 0.00 1.02 -0.79 -3.44 120.64 113.04 3h4e n GLU 175 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 3h4e n GLU 175 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.44 3h4e n GLU 175 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h4e n ALA 184 N -3.00 0.00 0.24 0.62 0.00 -1.26 -4.98 120.51 112.13 3h4e n ALA 184 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 3h4e n ALA 184 Cb 0.00 0.00 0.86 0.00 0.00 0.00 0.00 19.45 20.31 3h4e n ALA 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h4e h ALA 185 N 0.00 1.01 -3.00 0.00 0.00 -2.04 -3.10 119.26 112.12 3h4e h ALA 185 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h4e h ALA 185 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3h4e h ALA 185 CO 0.00 -0.01 0.00 2.41 0.00 0.00 0.00 179.25 181.65 3h4e n THR 186 N -2.61 0.00 -0.32 0.00 -1.04 -1.26 -3.24 114.28 105.81 3h4e n THR 186 Ca -0.02 0.06 0.13 0.00 -2.04 0.00 0.00 64.05 62.18 3h4e n THR 186 Cb 0.06 -0.20 0.27 0.00 -1.82 0.00 0.00 70.33 68.63 3h4e n THR 186 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3h4e n GLU 187 N 0.00 -0.08 0.38 -2.82 4.71 -1.25 -0.68 120.64 120.90 3h4e n GLU 187 Ca 0.00 1.40 -0.18 0.00 -0.01 0.00 0.00 57.16 58.37 3h4e n GLU 187 Cb 0.00 -2.22 -0.09 0.00 -1.01 0.00 0.00 31.44 28.11 3h4e n GLU 187 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 177.13 179.01 3h4e h THR 188 N 0.00 0.00 -0.04 2.62 1.35 -1.76 -3.32 112.91 111.76 3h4e h THR 188 Ca 0.56 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 66.28 3h4e h THR 188 Cb 1.14 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.55 3h4e h THR 188 CO -0.89 0.00 -0.61 -0.07 -0.25 0.00 0.00 175.52 173.71 3h4e h LEU 189 N -1.10 0.14 -0.12 3.87 3.38 -0.88 -3.10 115.31 117.51 3h4e h LEU 189 Ca -0.09 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3h4e h LEU 189 Cb 0.90 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 3h4e h LEU 189 CO 0.07 0.71 0.00 0.25 0.09 0.00 0.00 178.44 179.56 3h4e h LEU 190 N 0.09 0.20 -0.37 1.67 5.85 -1.43 -1.79 115.31 119.53 3h4e h LEU 190 Ca -0.01 -0.31 -0.09 0.00 0.84 0.00 0.00 57.88 58.31 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 0.46 -0.13 -0.37 -0.34 0.00 0.00 178.44 178.14 3h4e h VAL 191 N -0.06 1.28 -0.98 1.05 -1.51 -1.66 -3.11 116.25 111.26 3h4e h VAL 191 Ca 0.03 -1.24 0.04 0.00 -1.23 0.00 0.00 66.70 64.30 3h4e h VAL 191 Cb 0.36 1.30 -0.06 0.00 -2.13 0.00 0.00 31.29 30.76 3h4e h VAL 191 CO 0.01 0.41 0.64 -0.61 -1.23 0.00 0.00 177.57 176.79 3h4e h GLN 192 N 0.55 1.21 -0.33 5.19 4.15 -1.44 -2.53 115.11 121.90 3h4e h GLN 192 Ca 0.09 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3h4e h GLN 192 Cb 0.66 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 28.08 3h4e h GLN 192 CO 0.05 0.80 0.00 0.09 -1.93 0.00 0.00 178.83 177.83 3h4e n ASN 193 N -4.44 2.21 -4.78 -0.69 3.02 -0.69 -4.91 115.26 104.98 3h4e n ASN 193 Ca 0.13 -1.89 -0.32 0.00 -0.03 0.00 0.00 54.58 52.47 3h4e n ASN 193 Cb 0.09 -0.22 0.06 0.00 -0.61 0.00 0.00 39.78 39.11 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 -1.57 2.45 0.93 5.41 0.00 -0.95 -1.97 121.76 126.06 3h4e s ALA 194 Ca 0.31 0.36 -0.12 0.00 0.00 0.00 0.00 51.96 52.52 3h4e s ALA 194 Cb 0.17 -3.27 0.15 0.00 0.00 0.00 0.00 23.12 20.17 3h4e s ALA 194 CO 0.23 -1.39 1.09 0.54 0.00 0.00 0.00 175.76 176.24 3h4e s ASN 195 N -3.07 3.12 0.16 0.00 2.20 -1.26 -4.63 114.94 111.46 3h4e s ASN 195 Ca 0.63 1.50 -0.16 0.00 -0.94 0.00 0.00 52.86 53.89 3h4e s ASN 195 Cb -0.18 -2.17 0.09 0.00 -2.00 0.00 0.00 41.25 37.00 3h4e s ASN 195 CO 0.48 -2.86 1.74 -0.65 -2.94 0.00 0.00 177.10 172.86 3h4e h PRO 196 N -1.70 0.23 0.62 3.55 0.11 -1.95 0.95 132.00 133.81 3h4e h PRO 196 Ca -0.51 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 3h4e h PRO 196 Cb 1.29 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3h4e h PRO 196 CO 0.54 0.15 -0.35 -0.44 -0.21 0.00 0.00 178.00 177.69 3h4e h ASP 197 N 0.24 -0.86 -0.64 -2.05 3.32 -1.99 -2.85 116.42 111.59 3h4e h ASP 197 Ca 0.18 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.31 3h4e h ASP 197 Cb 0.20 0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.95 3h4e h ASP 197 CO -0.22 -0.56 0.38 0.00 -1.72 0.00 0.00 179.24 177.12 3h4e h LYS 199 N 0.74 0.88 -0.07 0.00 3.64 -0.68 0.43 116.57 121.52 3h4e h LYS 199 Ca 0.27 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.49 3h4e h LYS 199 Cb 0.07 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3h4e h LYS 199 CO -0.13 0.58 -0.36 1.79 -2.27 0.00 0.00 179.45 179.06 3h4e h THR 200 N 0.90 1.42 -0.87 1.00 1.35 -1.34 -2.13 112.91 113.24 3h4e h THR 200 Ca 0.41 -1.77 0.06 0.00 -0.55 0.00 0.00 66.41 64.56 3h4e h THR 200 Cb 0.39 2.34 -0.05 0.00 -1.73 0.00 0.00 68.15 69.10 3h4e h THR 200 CO -0.18 0.51 0.57 0.40 -0.25 0.00 0.00 175.52 176.57 3h4e h ILE 201 N -0.12 1.08 -0.11 6.82 2.04 -1.25 -1.57 117.51 124.41 3h4e h ILE 201 Ca -0.03 -0.34 -0.13 0.00 1.00 0.00 0.00 64.86 65.36 3h4e h ILE 201 Cb 1.02 -0.01 0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3h4e h ILE 201 CO 0.07 0.18 -0.44 -0.07 0.00 0.00 0.00 178.15 177.89 3h4e h LEU 202 N 1.00 0.58 -1.92 1.44 3.38 -0.92 -2.64 115.31 116.23 3h4e h LEU 202 Ca 0.37 -0.63 0.10 0.00 0.09 0.00 0.00 57.88 57.81 3h4e h LEU 202 Cb 0.16 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3h4e h LEU 202 CO -0.13 1.11 0.28 0.11 0.09 0.00 0.00 178.44 179.90 3h4e h LYS 203 N 0.08 0.09 -0.04 1.13 1.79 -1.15 -2.32 116.57 116.15 3h4e h LYS 203 Ca -0.02 -0.01 -0.19 0.00 -2.18 0.00 0.00 60.65 58.25 3h4e h LYS 203 Cb 1.08 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.71 3h4e h LYS 203 CO 0.09 0.06 -0.80 0.00 -1.08 0.00 0.00 179.45 177.72 3h4e h ALA 204 N 1.80 0.56 0.00 3.86 0.00 -1.00 -2.48 119.26 122.00 3h4e h ALA 204 Ca 0.19 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3h4e h ALA 204 Cb 0.62 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3h4e h ALA 204 CO -0.02 0.81 0.00 -0.07 0.00 0.00 0.00 179.25 179.98 3h4e h LEU 205 N 0.21 0.00 0.00 0.00 3.38 -1.07 -3.48 115.31 114.35 3h4e h LEU 205 Ca -0.04 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.98 3h4e h LEU 205 Cb 1.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 3h4e h LEU 205 CO 0.13 0.00 -0.06 0.61 0.09 0.00 0.00 178.44 179.21 3h4e n GLY 206 N -0.59 -1.86 3.78 0.83 0.00 -0.94 -4.77 105.19 101.64 3h4e n GLY 206 Ca 0.00 -1.33 -0.31 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.50 2.34 -0.76 1.61 0.02 -1.26 -4.04 135.00 132.40 3h4e s PRO 207 Ca 0.00 1.05 0.00 0.00 0.02 0.00 0.00 61.00 62.07 3h4e s PRO 207 Cb 0.00 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.61 3h4e s PRO 207 CO 0.00 -1.55 0.00 0.41 -0.33 0.00 0.00 177.00 175.53 3h4e n GLY 208 N -1.46 0.55 3.77 0.52 0.00 -1.26 -5.01 105.19 102.29 3h4e n GLY 208 Ca 0.08 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.34 3.42 0.52 4.61 0.00 -1.26 -5.06 121.76 121.66 3h4e s ALA 209 Ca 0.00 0.32 -0.19 0.00 0.00 0.00 0.00 51.96 52.09 3h4e s ALA 209 Cb 0.00 -2.96 -0.07 0.00 0.00 0.00 0.00 23.12 20.09 3h4e s ALA 209 CO 0.00 0.21 1.05 0.95 0.00 0.00 0.00 175.76 177.97 3h4e s THR 210 N -0.72 3.75 0.37 0.00 -4.23 -1.26 -4.90 115.64 108.64 3h4e s THR 210 Ca 0.37 1.02 0.10 0.00 -1.18 0.00 0.00 61.69 61.99 3h4e s THR 210 Cb -0.22 -3.42 0.33 0.00 1.34 0.00 0.00 72.50 70.53 3h4e s THR 210 CO 0.25 -0.31 1.88 0.25 -0.54 0.00 0.00 174.62 176.15 3h4e h LEU 211 N 1.23 0.61 -0.29 4.79 5.85 -1.99 -0.73 115.31 124.77 3h4e h LEU 211 Ca -0.49 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.28 3h4e h LEU 211 Cb 1.22 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 3h4e h LEU 211 CO 0.58 0.31 0.17 -0.08 -0.34 0.00 0.00 178.44 179.08 3h4e h GLU 212 N 0.64 0.34 -0.64 1.25 4.81 -1.99 -0.90 114.58 118.09 3h4e h GLU 212 Ca 0.44 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.64 3h4e h GLU 212 Cb 0.75 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 3h4e h GLU 212 CO -0.19 0.23 0.38 0.93 -0.73 0.00 0.00 179.01 179.63 3h4e h GLU 213 N 0.35 0.87 -0.69 1.92 5.08 -1.55 -1.81 114.58 118.75 3h4e h GLU 213 Ca 0.11 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3h4e h GLU 213 Cb -0.00 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 3h4e h GLU 213 CO -0.05 0.63 0.25 0.52 -1.00 0.00 0.00 179.01 179.36 3h4e h MET 214 N 0.87 1.03 -0.01 2.33 2.86 -0.98 -1.63 114.93 119.39 3h4e h MET 214 Ca 0.23 -0.19 -0.19 0.00 -2.06 0.00 0.00 59.70 57.49 3h4e h MET 214 Cb -0.02 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 3h4e h MET 214 CO -0.04 0.85 -0.83 0.52 1.06 0.00 0.00 176.91 178.47 3h4e h MET 215 N 1.00 0.21 -0.40 1.72 2.86 -0.94 -2.72 114.93 116.66 3h4e h MET 215 Ca 0.23 -0.21 -0.06 0.00 -2.06 0.00 0.00 59.70 57.59 3h4e h MET 215 Cb 0.23 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 3h4e h MET 215 CO -0.02 0.93 0.01 1.15 1.06 0.00 0.00 176.91 180.04 3h4e h THR 216 N 0.12 1.26 -0.93 2.22 2.02 -1.19 -3.06 112.91 113.35 3h4e h THR 216 Ca -0.04 -1.00 0.02 0.00 0.77 0.00 0.00 66.41 66.17 3h4e h THR 216 Cb 1.44 1.11 -0.05 0.00 -1.74 0.00 0.00 68.15 68.91 3h4e h THR 216 CO 0.13 0.34 0.61 0.00 0.37 0.00 0.00 175.52 176.97 3h4e h ALA 217 N 0.89 1.38 -0.53 6.16 0.00 -1.18 -3.02 119.26 122.96 3h4e h ALA 217 Ca 0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3h4e h ALA 217 Cb 0.46 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3h4e h ALA 217 CO 0.02 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.82