#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r0b n ARG 27 N 0.00 3.51 -4.33 -0.14 1.74 -1.26 -4.51 116.66 111.68 2r0b n ARG 27 Ca 0.00 -2.58 -0.17 0.00 -0.77 0.00 0.00 57.85 54.33 2r0b n ARG 27 Cb 0.00 -1.85 -0.10 0.00 -1.02 0.00 0.00 32.46 29.49 2r0b n ARG 27 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2r0b s GLU 28 N -1.86 1.30 0.18 5.56 -1.05 -1.26 -4.53 118.70 117.04 2r0b s GLU 28 Ca 0.46 -1.63 -0.14 0.00 -0.15 0.00 0.00 54.97 53.51 2r0b s GLU 28 Cb 0.30 -0.74 -0.07 0.00 -0.44 0.00 0.00 34.13 33.18 2r0b s GLU 28 CO 0.22 -0.01 0.57 0.00 0.95 0.00 0.00 175.26 176.99 2r0b s MET 29 N -3.80 3.97 -0.01 -4.83 0.23 -1.26 -4.44 119.30 109.17 2r0b s MET 29 Ca 0.25 0.49 0.07 0.00 -1.03 0.00 0.00 55.69 55.48 2r0b s MET 29 Cb 0.04 -2.85 -0.03 0.00 -1.53 0.00 0.00 34.83 30.47 2r0b s MET 29 CO 0.07 0.43 -0.22 -0.65 -2.03 0.00 0.00 175.02 172.62 2r0b s GLN 30 N -2.16 2.15 -0.11 3.16 1.11 -0.41 -4.94 119.66 118.46 2r0b s GLN 30 Ca 0.41 -0.91 -0.29 0.00 0.01 0.00 0.00 55.36 54.57 2r0b s GLN 30 Cb -0.14 -2.14 -0.03 0.00 -1.01 0.00 0.00 33.01 29.69 2r0b s GLN 30 CO 0.20 0.56 1.42 -2.00 0.01 0.00 0.00 175.29 175.48 2r0b s GLU 31 N -0.89 4.22 -0.20 2.91 2.12 -1.26 -1.13 118.70 124.47 2r0b s GLU 31 Ca 0.11 1.88 -0.09 0.00 0.36 0.00 0.00 54.97 57.24 2r0b s GLU 31 Cb -0.10 -3.84 -0.20 0.00 0.26 0.00 0.00 34.13 30.25 2r0b s GLU 31 CO 0.01 -0.75 0.06 -0.89 -0.54 0.00 0.00 175.26 173.15 2r0b n ILE 32 N 5.37 1.61 -4.04 -3.70 2.08 0.13 -4.98 119.36 115.82 2r0b n ILE 32 Ca 0.15 -0.45 -0.10 0.00 0.56 0.00 0.00 62.75 62.91 2r0b n ILE 32 Cb 0.44 -1.75 -0.08 0.00 -0.75 0.00 0.00 39.64 37.51 2r0b n ILE 32 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 2r0b s LEU 33 N -7.17 0.93 -0.26 1.39 0.05 -1.14 -5.01 118.68 107.48 2r0b s LEU 33 Ca -0.30 -1.04 -0.37 0.00 0.05 0.00 0.00 54.13 52.48 2r0b s LEU 33 Cb 0.08 1.05 -0.13 0.00 -2.05 0.00 0.00 46.19 45.15 2r0b s LEU 33 CO 0.64 -0.92 1.95 -2.65 -0.55 0.00 0.00 176.35 174.82 2r0b n PRO 34 N -0.26 1.40 -0.82 1.48 -0.02 -1.26 -0.99 135.00 134.54 2r0b n PRO 34 Ca -0.04 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2r0b n PRO 34 Cb 0.63 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 2r0b n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r0b n GLY 35 N 5.14 0.82 2.96 -1.23 0.00 -1.26 -5.02 105.19 106.59 2r0b n GLY 35 Ca 0.31 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 2r0b n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2r0b s LEU 36 N 0.00 1.68 0.14 0.99 2.96 -0.16 -0.86 118.68 123.44 2r0b s LEU 36 Ca 0.00 -0.57 0.08 0.00 -0.22 0.00 0.00 54.13 53.42 2r0b s LEU 36 Cb 0.00 -1.06 -0.04 0.00 0.50 0.00 0.00 46.19 45.59 2r0b s LEU 36 CO 0.00 -0.12 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.43 2r0b s PHE 37 N 1.55 2.64 -0.04 5.38 0.08 0.51 -0.70 117.98 127.40 2r0b s PHE 37 Ca 0.03 -0.21 0.02 0.00 0.12 0.00 0.00 56.93 56.88 2r0b s PHE 37 Cb -0.14 -1.35 0.01 0.00 -0.57 0.00 0.00 43.02 40.97 2r0b s PHE 37 CO -0.09 0.45 -0.08 -1.17 -0.10 0.00 0.00 175.22 174.23 2r0b s LEU 38 N -2.43 1.57 0.29 -0.37 2.96 -0.28 -0.57 118.68 119.85 2r0b s LEU 38 Ca 0.22 -0.19 -0.15 0.00 -0.22 0.00 0.00 54.13 53.79 2r0b s LEU 38 Cb -0.10 -0.57 0.01 0.00 0.50 0.00 0.00 46.19 46.03 2r0b s LEU 38 CO 0.13 0.01 0.61 -0.83 -1.32 0.00 0.00 176.35 174.95 2r0b s GLY 39 N 0.59 0.39 0.92 7.98 0.00 -0.65 -1.29 107.32 115.26 2r0b s GLY 39 Ca -0.10 -0.73 -0.14 0.00 0.00 0.00 0.00 44.72 43.76 2r0b s GLY 39 CO 0.01 -0.43 1.28 2.56 0.00 0.00 0.00 173.10 176.52 2r0b s PRO 40 N -3.63 0.92 0.50 2.90 0.04 -1.26 -3.10 135.00 131.37 2r0b s PRO 40 Ca 0.18 -0.38 0.19 0.00 0.04 0.00 0.00 61.00 61.03 2r0b s PRO 40 Cb -0.03 -1.90 1.27 0.00 0.04 0.00 0.00 34.50 33.88 2r0b s PRO 40 CO 0.10 -2.22 2.09 0.10 0.04 0.00 0.00 177.00 177.11 2r0b h TYR 41 N -1.47 0.00 -0.05 0.56 -0.00 -0.50 -2.49 116.97 113.02 2r0b h TYR 41 Ca -0.44 0.00 0.01 0.00 -0.00 0.00 0.00 58.73 58.30 2r0b h TYR 41 Cb 1.25 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.98 2r0b h TYR 41 CO -0.86 0.10 0.08 0.77 -0.00 0.00 0.00 178.16 178.25 2r0b h SER 42 N 0.00 0.00 0.81 0.10 0.02 -1.86 -1.99 113.55 110.63 2r0b h SER 42 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2r0b h SER 42 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2r0b h SER 42 CO 0.01 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.16 2r0b n SER 43 N -3.49 0.33 -0.33 3.07 3.41 -0.94 -3.29 113.62 112.38 2r0b n SER 43 Ca -0.02 0.56 0.08 0.00 -0.26 0.00 0.00 58.87 59.23 2r0b n SER 43 Cb 0.17 -0.64 0.14 0.00 -0.26 0.00 0.00 64.21 63.62 2r0b n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2r0b n ALA 44 N -1.63 2.64 -1.51 7.33 0.00 -0.75 -4.84 120.51 121.76 2r0b n ALA 44 Ca 0.04 -2.66 -0.31 0.00 0.00 0.00 0.00 53.44 50.51 2r0b n ALA 44 Cb 0.26 -0.40 0.07 0.00 0.00 0.00 0.00 19.45 19.38 2r0b n ALA 44 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2r0b s MET 45 N -2.58 2.56 0.25 0.00 -1.94 -1.21 -4.50 119.30 111.89 2r0b s MET 45 Ca 0.31 0.90 -0.04 0.00 -1.71 0.00 0.00 55.69 55.15 2r0b s MET 45 Cb 0.28 -1.95 0.50 0.00 2.01 0.00 0.00 34.83 35.68 2r0b s MET 45 CO -0.01 -1.35 1.69 0.87 -0.01 0.00 0.00 175.02 176.21 2r0b h LYS 46 N -0.90 0.30 0.00 2.03 1.79 -1.93 -1.04 116.57 116.82 2r0b h LYS 46 Ca -0.45 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 2r0b h LYS 46 Cb 1.23 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 2r0b h LYS 46 CO 0.57 0.20 0.00 0.66 -1.08 0.00 0.00 179.45 179.79 2r0b h SER 47 N 0.31 0.00 -0.16 0.86 4.64 -1.95 -2.57 113.55 114.68 2r0b h SER 47 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 2r0b h SER 47 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2r0b h SER 47 CO -0.50 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 175.75 2r0b n LYS 48 N -2.68 1.69 -0.19 4.77 4.76 -0.39 -4.45 118.16 121.67 2r0b n LYS 48 Ca -0.00 -1.04 -0.02 0.00 -2.87 0.00 0.00 58.31 54.38 2r0b n LYS 48 Cb 0.17 -1.39 0.04 0.00 -1.84 0.00 0.00 35.03 32.02 2r0b n LYS 48 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2r0b h LEU 49 N 2.09 -0.65 -0.91 -0.35 5.85 -1.58 -0.52 115.31 119.24 2r0b h LEU 49 Ca 0.00 0.18 0.15 0.00 0.84 0.00 0.00 57.88 59.06 2r0b h LEU 49 Cb 0.46 0.40 -0.10 0.00 0.37 0.00 0.00 40.66 41.79 2r0b h LEU 49 CO 0.00 -0.22 0.52 -0.65 -0.34 0.00 0.00 178.44 177.75 2r0b h PRO 50 N -0.04 0.70 -0.32 5.25 0.11 -1.87 0.70 132.00 136.53 2r0b h PRO 50 Ca 0.27 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.28 2r0b h PRO 50 Cb 0.46 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 2r0b h PRO 50 CO -0.61 0.46 -0.02 0.28 -0.21 0.00 0.00 178.00 177.91 2r0b h VAL 51 N 0.72 1.26 -0.69 3.15 2.07 -1.47 -0.58 116.25 120.72 2r0b h VAL 51 Ca 0.50 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 2r0b h VAL 51 Cb 0.69 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 2r0b h VAL 51 CO -0.35 0.32 0.39 -0.07 0.02 0.00 0.00 177.57 177.89 2r0b h LEU 52 N 0.38 0.85 -0.25 2.57 3.38 -0.48 -2.42 115.31 119.33 2r0b h LEU 52 Ca 0.09 -0.08 -0.21 0.00 0.09 0.00 0.00 57.88 57.77 2r0b h LEU 52 Cb 0.47 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.01 2r0b h LEU 52 CO 0.02 0.69 -0.73 1.56 0.09 0.00 0.00 178.44 180.07 2r0b h GLN 53 N 0.95 0.72 -0.47 1.13 4.20 -0.75 -1.76 115.11 119.11 2r0b h GLN 53 Ca 0.25 -0.56 0.02 0.00 0.06 0.00 0.00 58.65 58.42 2r0b h GLN 53 Cb 0.01 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2r0b h GLN 53 CO -0.04 1.17 0.32 -0.22 -0.67 0.00 0.00 178.83 179.39 2r0b h LYS 54 N 0.50 0.57 -0.14 1.46 3.64 -0.94 -1.30 116.57 120.35 2r0b h LYS 54 Ca -0.04 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2r0b h LYS 54 Cb 1.34 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2r0b h LYS 54 CO 0.15 0.37 0.00 0.72 -2.27 0.00 0.00 179.45 178.42 2r0b n HIS 55 N -4.47 0.18 -2.27 1.91 8.25 -0.93 -4.95 115.22 112.94 2r0b n HIS 55 Ca 0.05 -0.09 -0.13 0.00 -0.26 0.00 0.00 57.72 57.29 2r0b n HIS 55 Cb 0.10 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.21 2r0b n HIS 55 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2r0b n GLY 56 N 1.16 -0.17 3.73 -1.41 0.00 -0.49 -4.94 105.19 103.08 2r0b n GLY 56 Ca 0.17 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2r0b n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r0b s ILE 57 N -2.67 2.79 0.00 -0.61 -1.09 -0.69 -3.65 121.20 115.27 2r0b s ILE 57 Ca 0.01 0.62 0.00 0.00 -2.23 0.00 0.00 60.65 59.05 2r0b s ILE 57 Cb -0.00 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.48 2r0b s ILE 57 CO 0.01 0.08 0.00 0.35 -1.23 0.00 0.00 174.94 174.15 2r0b n THR 58 N 2.94 0.00 -4.23 2.92 -2.24 -0.29 -4.80 114.28 108.59 2r0b n THR 58 Ca 0.09 -0.03 -0.17 0.00 -2.27 0.00 0.00 64.05 61.67 2r0b n THR 58 Cb 0.40 0.39 -0.14 0.00 -2.10 0.00 0.00 70.33 68.88 2r0b n THR 58 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2r0b s HIS 59 N -1.23 0.61 -0.05 4.78 3.76 -0.83 -1.82 115.29 120.51 2r0b s HIS 59 Ca 0.00 -0.14 0.00 0.00 -0.15 0.00 0.00 55.06 54.77 2r0b s HIS 59 Cb 0.00 -0.39 0.02 0.00 1.11 0.00 0.00 32.58 33.33 2r0b s HIS 59 CO 0.00 -0.01 -0.02 0.42 -0.85 0.00 0.00 174.74 174.27 2r0b s ILE 60 N -0.24 0.44 -0.34 0.60 1.01 0.06 -1.23 121.20 121.50 2r0b s ILE 60 Ca 0.02 -0.01 -0.18 0.00 0.00 0.00 0.00 60.65 60.48 2r0b s ILE 60 Cb -0.03 -0.53 -0.01 0.00 0.01 0.00 0.00 42.46 41.91 2r0b s ILE 60 CO -0.00 0.23 0.51 -0.63 0.00 0.00 0.00 174.94 175.04 2r0b s ILE 61 N 1.33 5.03 -0.37 2.92 1.01 -0.07 -0.82 121.20 130.23 2r0b s ILE 61 Ca -0.05 0.37 -0.07 0.00 0.00 0.00 0.00 60.65 60.90 2r0b s ILE 61 Cb -0.13 -3.95 0.06 0.00 0.01 0.00 0.00 42.46 38.45 2r0b s ILE 61 CO -0.02 -0.19 0.15 0.00 0.00 0.00 0.00 174.94 174.88 2r0b s ILE 63 N 1.37 3.92 -0.01 0.00 1.01 -0.49 -1.66 121.20 125.34 2r0b s ILE 63 Ca 0.00 -0.35 -0.29 0.00 0.00 0.00 0.00 60.65 60.02 2r0b s ILE 63 Cb -0.21 -2.72 0.10 0.00 0.01 0.00 0.00 42.46 39.65 2r0b s ILE 63 CO 0.02 0.50 0.89 0.00 0.00 0.00 0.00 174.94 176.34 2r0b s ARG 64 N 0.33 0.81 0.60 2.79 3.03 -0.75 -4.11 118.95 121.66 2r0b s ARG 64 Ca -0.04 -0.28 -0.13 0.00 2.03 0.00 0.00 55.73 57.31 2r0b s ARG 64 Cb -0.14 0.38 -0.04 0.00 -1.03 0.00 0.00 34.95 34.11 2r0b s ARG 64 CO 0.03 -0.35 1.03 -0.65 -1.13 0.00 0.00 175.30 174.22 2r0b s GLN 65 N -3.03 3.55 0.38 3.89 -0.21 -1.17 -1.40 119.66 121.68 2r0b s GLN 65 Ca 0.05 0.90 0.07 0.00 0.02 0.00 0.00 55.36 56.39 2r0b s GLN 65 Cb -0.01 -2.07 0.80 0.00 1.00 0.00 0.00 33.01 32.72 2r0b s GLN 65 CO -0.09 -0.60 1.99 -0.91 -2.12 0.00 0.00 175.29 173.56 2r0b h ASN 66 N 0.05 0.59 0.67 5.90 2.35 -1.93 -0.57 115.58 122.63 2r0b h ASN 66 Ca -0.45 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.29 2r0b h ASN 66 Cb 1.20 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 39.43 2r0b h ASN 66 CO 0.60 0.39 -0.04 0.16 -1.65 0.00 0.00 177.43 176.89 2r0b h ILE 67 N 0.68 0.16 -0.00 2.81 3.07 -2.00 -1.61 117.51 120.61 2r0b h ILE 67 Ca 0.27 -0.47 0.00 0.00 1.55 0.00 0.00 64.86 66.21 2r0b h ILE 67 Cb 0.20 1.39 0.00 0.00 -0.27 0.00 0.00 36.82 38.14 2r0b h ILE 67 CO -0.08 0.04 -0.14 -0.62 -1.05 0.00 0.00 178.15 176.30 2r0b n GLU 68 N -3.22 0.71 0.05 0.16 1.02 -0.23 -4.45 120.64 114.68 2r0b n GLU 68 Ca -0.01 -0.29 0.08 0.00 -0.02 0.00 0.00 57.16 56.93 2r0b n GLU 68 Cb 0.25 -1.49 0.36 0.00 -0.02 0.00 0.00 31.44 30.54 2r0b n GLU 68 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2r0b n ALA 69 N -0.90 1.58 0.12 0.62 0.00 -0.60 -1.11 120.51 120.22 2r0b n ALA 69 Ca 0.14 0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.61 2r0b n ALA 69 Cb 0.29 -1.28 0.35 0.00 0.00 0.00 0.00 19.45 18.82 2r0b n ALA 69 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2r0b h ASN 70 N 0.00 0.20 0.00 0.00 -1.07 -1.80 -3.35 115.58 109.56 2r0b h ASN 70 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 56.30 56.32 2r0b h ASN 70 Cb 0.26 -0.05 0.00 0.00 -2.07 0.00 0.00 38.32 36.46 2r0b h ASN 70 CO 0.00 0.43 -0.12 2.22 0.07 0.00 0.00 177.43 180.02 2r0b n PHE 71 N -4.20 0.00 -4.04 4.14 1.16 -0.82 -4.94 117.46 108.75 2r0b n PHE 71 Ca -0.01 0.00 -0.32 0.00 -1.87 0.00 0.00 57.45 55.25 2r0b n PHE 71 Cb 0.33 0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 38.05 2r0b n PHE 71 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2r0b s ILE 72 N -1.08 2.24 0.12 1.97 1.01 -0.27 -5.02 121.20 120.17 2r0b s ILE 72 Ca 0.00 -1.91 -0.25 0.00 0.00 0.00 0.00 60.65 58.49 2r0b s ILE 72 Cb 0.00 -2.45 0.07 0.00 0.01 0.00 0.00 42.46 40.09 2r0b s ILE 72 CO 0.00 -0.25 0.77 -1.59 0.00 0.00 0.00 174.94 173.87 2r0b s LYS 73 N 1.03 1.17 0.09 2.79 -2.85 -1.26 -4.28 119.74 116.43 2r0b s LYS 73 Ca -0.01 -0.51 -0.31 0.00 -1.00 0.00 0.00 55.97 54.14 2r0b s LYS 73 Cb -0.20 0.49 -0.09 0.00 -2.06 0.00 0.00 37.83 35.98 2r0b s LYS 73 CO -0.06 -0.52 1.64 -2.14 0.10 0.00 0.00 175.35 174.37 2r0b s PRO 74 N -3.48 4.20 0.00 1.78 0.02 -1.26 -4.90 135.00 131.36 2r0b s PRO 74 Ca 0.05 2.34 0.18 0.00 0.02 0.00 0.00 61.00 63.60 2r0b s PRO 74 Cb -0.02 -3.51 -0.09 0.00 0.02 0.00 0.00 34.50 30.90 2r0b s PRO 74 CO -0.07 -0.71 0.86 0.09 -0.33 0.00 0.00 177.00 176.84 2r0b n ASN 75 N 5.27 1.35 -3.63 2.53 3.02 -1.26 -4.77 115.26 117.77 2r0b n ASN 75 Ca 0.15 -1.18 -0.28 0.00 -0.03 0.00 0.00 54.58 53.25 2r0b n ASN 75 Cb 0.40 0.72 -0.12 0.00 -0.61 0.00 0.00 39.78 40.17 2r0b n ASN 75 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2r0b s PHE 76 N -2.39 2.03 0.36 3.10 0.08 -1.26 -4.87 117.98 115.03 2r0b s PHE 76 Ca 0.11 -2.60 0.04 0.00 0.12 0.00 0.00 56.93 54.60 2r0b s PHE 76 Cb 0.14 -1.70 0.69 0.00 -0.57 0.00 0.00 43.02 41.58 2r0b s PHE 76 CO 0.59 -0.73 2.00 1.96 -0.10 0.00 0.00 175.22 178.94 2r0b h GLN 77 N 5.96 0.78 0.00 0.44 1.08 -1.91 -2.98 115.11 118.48 2r0b h GLN 77 Ca 0.14 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2r0b h GLN 77 Cb 0.87 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.13 2r0b h GLN 77 CO 0.50 0.51 -0.99 1.04 -0.95 0.00 0.00 178.83 178.94 2r0b n GLN 78 N -4.45 0.43 -0.01 1.46 1.13 -1.26 -4.57 117.38 110.10 2r0b n GLN 78 Ca 0.07 -0.01 0.08 0.00 -1.94 0.00 0.00 57.00 55.21 2r0b n GLN 78 Cb 0.10 -1.44 -0.12 0.00 0.11 0.00 0.00 30.24 28.89 2r0b n GLN 78 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2r0b n LEU 79 N -1.50 0.12 -4.10 1.08 4.77 -1.13 -5.02 117.00 111.21 2r0b n LEU 79 Ca 0.03 -0.08 -0.09 0.00 -0.03 0.00 0.00 56.01 55.84 2r0b n LEU 79 Cb 0.32 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.31 2r0b n LEU 79 CO 0.41 0.03 -0.37 -0.36 -1.33 0.00 0.00 177.39 175.76 2r0b s PHE 80 N -3.01 0.63 -0.16 -1.77 0.08 -1.23 -4.95 117.98 107.57 2r0b s PHE 80 Ca -0.04 -0.88 -0.16 0.00 0.12 0.00 0.00 56.93 55.97 2r0b s PHE 80 Cb 0.11 -0.41 -0.04 0.00 -0.57 0.00 0.00 43.02 42.10 2r0b s PHE 80 CO 0.66 -0.24 0.38 1.03 -0.10 0.00 0.00 175.22 176.95 2r0b s ARG 81 N -3.29 4.26 0.13 0.44 0.52 -0.76 -4.90 118.95 115.34 2r0b s ARG 81 Ca 0.04 0.23 0.06 0.00 -0.52 0.00 0.00 55.73 55.54 2r0b s ARG 81 Cb 0.03 -3.46 -0.04 0.00 0.52 0.00 0.00 34.95 31.99 2r0b s ARG 81 CO -0.06 0.13 -0.02 0.71 0.02 0.00 0.00 175.30 176.08 2r0b s TYR 82 N 0.78 2.89 -0.21 -0.53 2.02 -1.26 -0.76 117.35 120.28 2r0b s TYR 82 Ca 0.20 -0.09 -0.00 0.00 -0.37 0.00 0.00 57.07 56.80 2r0b s TYR 82 Cb -0.14 -1.46 0.06 0.00 -0.40 0.00 0.00 41.96 40.02 2r0b s TYR 82 CO 0.07 0.48 -0.03 -1.17 -1.57 0.00 0.00 175.55 173.34 2r0b s LEU 83 N -2.55 2.05 -0.24 -1.29 2.96 0.00 -4.93 118.68 114.69 2r0b s LEU 83 Ca 0.26 -1.01 -0.10 0.00 -0.22 0.00 0.00 54.13 53.06 2r0b s LEU 83 Cb -0.11 -0.98 -0.05 0.00 0.50 0.00 0.00 46.19 45.56 2r0b s LEU 83 CO 0.18 -0.25 0.14 -0.69 -1.32 0.00 0.00 176.35 174.41 2r0b s VAL 84 N 1.56 5.21 -0.22 1.68 1.01 -1.26 -0.66 120.40 127.72 2r0b s VAL 84 Ca -0.04 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.09 2r0b s VAL 84 Cb -0.18 -3.42 0.04 0.00 0.00 0.00 0.00 36.38 32.82 2r0b s VAL 84 CO -0.07 0.35 -0.15 -0.76 0.00 0.00 0.00 175.10 174.47 2r0b s LEU 85 N 1.05 2.75 -0.80 3.92 1.43 -0.66 -4.98 118.68 121.39 2r0b s LEU 85 Ca 0.07 -1.01 -0.26 0.00 -1.03 0.00 0.00 54.13 51.90 2r0b s LEU 85 Cb -0.14 -1.50 0.03 0.00 0.03 0.00 0.00 46.19 44.62 2r0b s LEU 85 CO 0.04 -0.10 1.33 -0.62 0.23 0.00 0.00 176.35 177.23 2r0b s ASP 86 N 1.21 6.21 -0.03 2.29 2.15 -1.25 -1.82 116.67 125.43 2r0b s ASP 86 Ca -0.02 -0.64 0.01 0.00 0.43 0.00 0.00 52.55 52.33 2r0b s ASP 86 Cb -0.16 -2.56 0.02 0.00 -0.30 0.00 0.00 42.92 39.92 2r0b s ASP 86 CO -0.09 -1.78 -0.01 -0.63 -0.17 0.00 0.00 175.17 172.49 2r0b s ILE 87 N 5.65 0.21 0.21 4.11 1.01 -0.49 -4.95 121.20 126.95 2r0b s ILE 87 Ca 0.38 0.05 -0.18 0.00 0.00 0.00 0.00 60.65 60.89 2r0b s ILE 87 Cb -0.06 -0.29 -0.08 0.00 0.01 0.00 0.00 42.46 42.04 2r0b s ILE 87 CO 0.10 0.14 0.69 0.00 0.00 0.00 0.00 174.94 175.87 2r0b s ALA 88 N 0.90 3.44 -1.28 9.38 0.00 -1.26 -3.02 121.76 129.92 2r0b s ALA 88 Ca -0.09 0.10 -0.14 0.00 0.00 0.00 0.00 51.96 51.83 2r0b s ALA 88 Cb -0.13 -2.76 0.13 0.00 0.00 0.00 0.00 23.12 20.36 2r0b s ALA 88 CO -0.01 0.35 1.69 -3.47 0.00 0.00 0.00 175.76 174.32 2r0b n ASP 89 N 0.71 4.97 -3.80 0.00 2.03 -1.26 -4.76 116.55 114.44 2r0b n ASP 89 Ca -0.03 -2.97 -0.11 0.00 0.52 0.00 0.00 54.79 52.19 2r0b n ASP 89 Cb 0.51 -1.61 -0.08 0.00 -0.72 0.00 0.00 41.12 39.22 2r0b n ASP 89 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2r0b s ASN 90 N 2.84 -0.06 0.37 1.67 2.20 -1.26 -5.06 114.94 115.63 2r0b s ASN 90 Ca 0.46 -0.20 0.25 0.00 -0.94 0.00 0.00 52.86 52.43 2r0b s ASN 90 Cb 0.03 0.30 1.34 0.00 -2.00 0.00 0.00 41.25 40.92 2r0b s ASN 90 CO 0.01 -0.53 1.77 1.55 -2.94 0.00 0.00 177.10 176.96 2r0b h PRO 91 N 3.58 0.00 -0.01 3.55 0.13 -1.95 -1.91 132.00 135.39 2r0b h PRO 91 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2r0b h PRO 91 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2r0b h PRO 91 CO 0.45 0.00 -0.58 1.33 -0.23 0.00 0.00 178.00 178.96 2r0b n VAL 92 N -2.38 0.00 -1.96 1.56 0.24 -1.26 -4.26 118.33 110.26 2r0b n VAL 92 Ca -0.01 -0.19 -0.41 0.00 -2.04 0.00 0.00 64.34 61.68 2r0b n VAL 92 Cb 0.06 1.14 -0.02 0.00 -1.47 0.00 0.00 33.84 33.54 2r0b n VAL 92 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2r0b s GLU 93 N -2.61 4.24 -0.42 7.34 2.56 -0.72 -4.95 118.70 124.14 2r0b s GLU 93 Ca 0.16 2.35 -0.25 0.00 0.00 0.00 0.00 54.97 57.23 2r0b s GLU 93 Cb 0.18 -3.10 0.02 0.00 2.00 0.00 0.00 34.13 33.23 2r0b s GLU 93 CO 0.64 -0.48 0.91 1.21 -0.56 0.00 0.00 175.26 176.98 2r0b s ASN 94 N 0.50 6.57 -0.03 -1.70 3.84 -1.26 -4.86 114.94 118.00 2r0b s ASN 94 Ca 0.62 0.31 0.13 0.00 0.21 0.00 0.00 52.86 54.12 2r0b s ASN 94 Cb -0.43 -2.45 -0.19 0.00 -0.55 0.00 0.00 41.25 37.63 2r0b s ASN 94 CO 0.42 -0.95 0.26 2.30 -2.79 0.00 0.00 177.10 176.34 2r0b n ILE 95 N 6.19 0.09 -0.12 -5.21 -5.35 -1.26 -4.60 119.36 109.10 2r0b n ILE 95 Ca 0.06 -0.32 0.12 0.00 -0.27 0.00 0.00 62.75 62.34 2r0b n ILE 95 Cb 0.48 0.11 0.47 0.00 -1.74 0.00 0.00 39.64 38.96 2r0b n ILE 95 CO 0.00 0.00 0.00 -0.29 -1.76 0.00 0.00 176.55 174.50 2r0b h ILE 96 N 0.00 0.89 -0.32 7.28 2.10 -1.89 -0.94 117.51 124.63 2r0b h ILE 96 Ca -0.04 -0.16 0.09 0.00 1.08 0.00 0.00 64.86 65.83 2r0b h ILE 96 Cb 0.71 0.37 -0.01 0.00 -1.09 0.00 0.00 36.82 36.81 2r0b h ILE 96 CO 0.00 0.09 0.41 0.08 -1.08 0.00 0.00 178.15 177.65 2r0b h ARG 97 N 0.48 0.00 -0.01 2.19 0.11 -2.00 -2.17 114.38 112.98 2r0b h ARG 97 Ca 0.31 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.39 2r0b h ARG 97 Cb 0.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.64 2r0b h ARG 97 CO -0.09 0.00 -0.45 1.19 0.10 0.00 0.00 179.97 180.72 2r0b n PHE 98 N -3.57 0.00 -0.20 4.08 3.72 -0.36 -4.58 117.46 116.55 2r0b n PHE 98 Ca 0.05 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.44 2r0b n PHE 98 Cb 0.56 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.19 2r0b n PHE 98 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 176.76 177.45 2r0b h PHE 99 N 1.66 0.48 -0.92 1.38 0.04 -1.37 -0.90 116.94 117.32 2r0b h PHE 99 Ca 0.00 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.81 2r0b h PHE 99 Cb 0.58 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.55 2r0b h PHE 99 CO 0.00 0.19 0.61 -1.35 -0.60 0.00 0.00 178.31 177.15 2r0b h PRO 100 N 0.50 1.19 -0.35 1.51 0.11 -1.81 -1.60 132.00 131.55 2r0b h PRO 100 Ca 0.28 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.26 2r0b h PRO 100 Cb 0.27 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2r0b h PRO 100 CO -0.24 0.79 -0.01 1.98 -0.21 0.00 0.00 178.00 180.31 2r0b h MET 101 N 1.22 0.63 -0.08 1.05 4.05 -1.63 -1.78 114.93 118.39 2r0b h MET 101 Ca 0.34 -0.21 -0.17 0.00 -0.28 0.00 0.00 59.70 59.39 2r0b h MET 101 Cb -0.10 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.63 2r0b h MET 101 CO -0.08 0.75 -0.68 1.79 0.23 0.00 0.00 176.91 178.92 2r0b h THR 102 N 0.43 1.38 -0.32 -0.77 1.35 -1.01 -1.36 112.91 112.61 2r0b h THR 102 Ca 0.10 -2.09 0.01 0.00 -0.55 0.00 0.00 66.41 63.88 2r0b h THR 102 Cb 0.47 2.06 -0.02 0.00 -1.73 0.00 0.00 68.15 68.94 2r0b h THR 102 CO 0.02 0.62 0.21 0.50 -0.25 0.00 0.00 175.52 176.62 2r0b h LYS 103 N 0.25 0.41 -0.64 4.72 1.63 -1.21 -0.42 116.57 121.31 2r0b h LYS 103 Ca -0.02 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.77 2r0b h LYS 103 Cb 1.23 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 32.74 2r0b h LYS 103 CO 0.11 0.27 0.42 1.49 -3.45 0.00 0.00 179.45 178.29 2r0b h GLU 104 N 0.42 0.82 -0.23 1.90 4.81 -1.17 0.75 114.58 121.88 2r0b h GLU 104 Ca 0.12 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 2r0b h GLU 104 Cb -0.04 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 2r0b h GLU 104 CO -0.03 0.54 0.04 0.35 -0.73 0.00 0.00 179.01 179.18 2r0b h PHE 105 N 0.84 0.40 -0.26 0.92 3.57 -0.94 -0.83 116.94 120.64 2r0b h PHE 105 Ca 0.24 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.62 2r0b h PHE 105 Cb -0.07 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 2r0b h PHE 105 CO -0.03 0.49 -0.09 0.82 -2.23 0.00 0.00 178.31 177.26 2r0b h ILE 106 N 0.18 1.29 -0.92 1.41 2.04 -0.99 -2.21 117.51 118.32 2r0b h ILE 106 Ca 0.07 -1.15 0.06 0.00 1.00 0.00 0.00 64.86 64.84 2r0b h ILE 106 Cb 0.31 1.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.82 2r0b h ILE 106 CO 0.00 0.36 0.59 0.44 0.00 0.00 0.00 178.15 179.54 2r0b h ASP 107 N 0.26 0.94 -0.50 1.72 3.32 -0.71 -1.21 116.42 120.24 2r0b h ASP 107 Ca 0.06 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 2r0b h ASP 107 Cb 0.59 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 2r0b h ASP 107 CO 0.03 0.61 0.17 1.23 -1.72 0.00 0.00 179.24 179.56 2r0b h GLY 108 N 1.08 0.83 0.74 2.75 0.00 -0.99 0.03 103.07 107.51 2r0b h GLY 108 Ca 0.39 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 2r0b h GLY 108 CO -0.16 0.45 -0.18 0.23 0.00 0.00 0.00 176.54 176.88 2r0b h SER 109 N 0.68 -0.42 -0.07 0.19 0.87 -1.09 -3.14 113.55 110.57 2r0b h SER 109 Ca 0.16 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 2r0b h SER 109 Cb 0.26 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 2r0b h SER 109 CO -0.01 -0.10 -0.01 -0.07 -0.53 0.00 0.00 176.83 176.11 2r0b h LEU 110 N -0.77 0.20 -1.14 2.23 3.38 -1.08 0.22 115.31 118.35 2r0b h LEU 110 Ca -0.05 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 2r0b h LEU 110 Cb 0.52 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2r0b h LEU 110 CO 0.08 0.25 -0.15 -0.61 0.09 0.00 0.00 178.44 178.10 2r0b h GLN 111 N 0.22 0.42 -0.39 1.13 5.75 -1.01 -2.59 115.11 118.64 2r0b h GLN 111 Ca 0.05 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 2r0b h GLN 111 Cb 0.17 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.67 2r0b h GLN 111 CO 0.00 0.57 0.00 0.00 -2.65 0.00 0.00 178.83 176.76 2r0b n MET 112 N -4.20 1.91 -1.02 1.69 0.00 -0.76 -4.88 117.12 109.86 2r0b n MET 112 Ca 0.00 -1.41 -0.01 0.00 0.00 0.00 0.00 57.70 56.29 2r0b n MET 112 Cb 0.33 -1.31 -0.00 0.00 0.00 0.00 0.00 33.22 32.24 2r0b n MET 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2r0b n GLY 113 N 1.13 0.46 3.94 3.17 0.00 -0.98 -5.05 105.19 107.86 2r0b n GLY 113 Ca 0.13 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.22 2r0b n GLY 113 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2r0b s GLY 114 N -2.61 1.74 0.03 -0.02 0.00 -0.01 -4.99 107.32 101.45 2r0b s GLY 114 Ca 0.00 -1.17 0.01 0.00 0.00 0.00 0.00 44.72 43.56 2r0b s GLY 114 CO 0.00 -0.52 -0.06 0.54 0.00 0.00 0.00 173.10 173.07 2r0b s LYS 115 N -5.66 0.41 -0.10 2.90 1.02 -1.24 -4.18 119.74 112.90 2r0b s LYS 115 Ca 0.69 -0.57 0.04 0.00 0.02 0.00 0.00 55.97 56.15 2r0b s LYS 115 Cb -0.06 -0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.07 2r0b s LYS 115 CO 0.50 0.03 -0.23 0.08 -0.92 0.00 0.00 175.35 174.81 2r0b s VAL 116 N -1.10 2.01 -0.23 3.17 1.01 -0.03 -1.14 120.40 124.10 2r0b s VAL 116 Ca -0.09 -0.99 -0.08 0.00 0.00 0.00 0.00 61.98 60.82 2r0b s VAL 116 Cb -0.08 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 2r0b s VAL 116 CO -0.00 0.55 0.10 -0.22 0.00 0.00 0.00 175.10 175.53 2r0b s LEU 117 N 0.40 3.78 -0.23 3.92 2.96 -0.37 -0.36 118.68 128.78 2r0b s LEU 117 Ca -0.18 -0.01 -0.07 0.00 -0.22 0.00 0.00 54.13 53.65 2r0b s LEU 117 Cb -0.18 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 2r0b s LEU 117 CO 0.08 0.06 0.07 -0.69 -1.32 0.00 0.00 176.35 174.55 2r0b s VAL 118 N 1.05 4.42 0.06 1.68 1.01 0.27 -0.89 120.40 127.99 2r0b s VAL 118 Ca 0.05 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.92 2r0b s VAL 118 Cb -0.14 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 2r0b s VAL 118 CO 0.04 0.37 -0.09 -1.38 0.00 0.00 0.00 175.10 174.03 2r0b s HIS 119 N 1.27 0.84 0.00 5.22 -3.43 -0.53 -1.64 115.29 117.02 2r0b s HIS 119 Ca 0.05 -0.55 0.00 0.00 -0.80 0.00 0.00 55.06 53.76 2r0b s HIS 119 Cb -0.15 -0.49 0.00 0.00 -1.43 0.00 0.00 32.58 30.52 2r0b s HIS 119 CO 0.03 -0.05 0.00 0.41 -2.00 0.00 0.00 174.74 173.13 2r0b n GLY 120 N 1.19 3.65 0.02 -1.38 0.00 -1.18 -1.40 105.19 106.10 2r0b n GLY 120 Ca -0.21 -0.83 -0.01 0.00 0.00 0.00 0.00 46.02 44.97 2r0b n GLY 120 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2r0b n ASN 121 N 0.00 0.57 0.08 1.61 2.85 -1.26 -2.23 115.26 116.88 2r0b n ASN 121 Ca 0.00 0.37 0.12 0.00 -0.11 0.00 0.00 54.58 54.95 2r0b n ASN 121 Cb 0.00 -0.62 0.06 0.00 1.24 0.00 0.00 39.78 40.46 2r0b n ASN 121 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2r0b h ALA 122 N -1.69 0.51 -3.03 5.20 0.00 -1.93 0.07 119.26 118.38 2r0b h ALA 122 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 2r0b h ALA 122 Cb 0.16 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.00 2r0b h ALA 122 CO 0.00 0.00 -0.34 0.41 0.00 0.00 0.00 179.25 179.32 2r0b n GLY 123 N 1.25 0.10 0.70 0.00 0.00 -1.26 -4.33 105.19 101.65 2r0b n GLY 123 Ca 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 46.02 45.78 2r0b n GLY 123 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2r0b n ILE 124 N -3.87 0.04 0.00 -0.61 5.41 -1.26 -4.64 119.36 114.43 2r0b n ILE 124 Ca -0.03 -0.01 -0.00 0.00 1.00 0.00 0.00 62.75 63.71 2r0b n ILE 124 Cb 0.55 -1.23 -0.00 0.00 -0.71 0.00 0.00 39.64 38.25 2r0b n ILE 124 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2r0b n SER 125 N -2.89 0.10 0.34 4.38 2.88 -1.26 -0.22 113.62 116.96 2r0b n SER 125 Ca -0.01 0.01 -0.17 0.00 -1.33 0.00 0.00 58.87 57.36 2r0b n SER 125 Cb 0.51 -0.12 -0.09 0.00 -0.75 0.00 0.00 64.21 63.76 2r0b n SER 125 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2r0b h ARG 126 N -0.01 -0.80 -0.59 -1.46 3.08 -1.95 -1.63 114.38 111.01 2r0b h ARG 126 Ca 0.00 0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.11 2r0b h ARG 126 Cb 0.01 0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 2r0b h ARG 126 CO 0.00 -0.53 0.39 0.66 -1.07 0.00 0.00 179.97 179.42 2r0b h SER 127 N -0.84 0.67 -0.70 7.04 4.64 -1.89 -2.13 113.55 120.33 2r0b h SER 127 Ca -0.09 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2r0b h SER 127 Cb 0.64 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.53 2r0b h SER 127 CO 0.14 0.49 0.42 0.00 -0.87 0.00 0.00 176.83 177.01 2r0b h ALA 128 N 1.22 0.90 -0.79 5.18 0.00 -1.77 -2.14 119.26 121.85 2r0b h ALA 128 Ca 0.22 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2r0b h ALA 128 Cb -0.09 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.38 2r0b h ALA 128 CO -0.05 0.37 0.53 0.00 0.00 0.00 0.00 179.25 180.10 2r0b h ALA 129 N 1.22 1.01 -0.33 0.00 0.00 -0.72 -0.39 119.26 120.05 2r0b h ALA 129 Ca 0.25 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 2r0b h ALA 129 Cb -0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 2r0b h ALA 129 CO -0.05 0.42 0.01 0.74 0.00 0.00 0.00 179.25 180.37 2r0b h PHE 130 N 1.07 0.53 -0.11 0.00 0.04 -1.01 -0.55 116.94 116.91 2r0b h PHE 130 Ca 0.29 -0.05 -0.20 0.00 2.80 0.00 0.00 57.97 60.81 2r0b h PHE 130 Cb -0.12 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 37.87 2r0b h PHE 130 CO -0.02 0.52 -0.74 0.28 -0.60 0.00 0.00 178.31 177.74 2r0b h VAL 131 N 0.49 1.34 -0.68 -0.55 2.07 -0.75 -2.82 116.25 115.35 2r0b h VAL 131 Ca 0.11 -2.08 -0.08 0.00 0.82 0.00 0.00 66.70 65.47 2r0b h VAL 131 Cb 0.31 2.06 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 2r0b h VAL 131 CO 0.01 0.64 0.12 0.40 0.02 0.00 0.00 177.57 178.75 2r0b h ILE 132 N 0.37 1.26 -0.63 4.57 2.04 -0.76 -1.58 117.51 122.79 2r0b h ILE 132 Ca -0.04 -1.04 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 2r0b h ILE 132 Cb 1.34 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 2r0b h ILE 132 CO 0.14 0.39 0.36 0.00 0.00 0.00 0.00 178.15 179.04 2r0b h ALA 133 N 1.06 0.81 -0.57 1.87 0.00 -1.01 0.41 119.26 121.83 2r0b h ALA 133 Ca 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2r0b h ALA 133 Cb 0.44 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2r0b h ALA 133 CO 0.01 0.32 0.34 -0.92 0.00 0.00 0.00 179.25 179.00 2r0b h TYR 134 N 0.86 0.77 -0.34 0.00 3.20 -1.28 -2.45 116.97 117.73 2r0b h TYR 134 Ca 0.22 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.98 2r0b h TYR 134 Cb 0.03 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 2r0b h TYR 134 CO -0.01 0.53 -0.21 0.82 -1.64 0.00 0.00 178.16 177.66 2r0b h ILE 135 N 0.78 1.29 -0.01 1.81 2.04 -0.73 -1.56 117.51 121.12 2r0b h ILE 135 Ca 0.21 -1.34 0.02 0.00 1.00 0.00 0.00 64.86 64.75 2r0b h ILE 135 Cb -0.00 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 2r0b h ILE 135 CO -0.04 0.44 -0.13 0.24 0.00 0.00 0.00 178.15 178.66 2r0b h MET 136 N 0.51 -0.21 -0.27 2.37 2.86 -0.82 -0.51 114.93 118.86 2r0b h MET 136 Ca 0.07 0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.63 2r0b h MET 136 Cb 0.75 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 2r0b h MET 136 CO 0.06 -0.14 -0.19 1.49 1.06 0.00 0.00 176.91 179.19 2r0b h GLU 137 N -0.22 0.60 -0.03 1.72 4.81 -1.43 -1.50 114.58 118.54 2r0b h GLU 137 Ca 0.05 -0.29 -0.24 0.00 -0.13 0.00 0.00 59.36 58.75 2r0b h GLU 137 Cb 0.28 -0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.67 2r0b h GLU 137 CO -0.14 0.88 -0.93 1.15 -0.73 0.00 0.00 179.01 179.24 2r0b h THR 138 N 0.33 1.30 -0.33 0.32 2.02 -1.24 -3.32 112.91 111.97 2r0b h THR 138 Ca 0.05 -2.16 0.00 0.00 0.77 0.00 0.00 66.41 65.07 2r0b h THR 138 Cb 0.73 2.33 0.00 0.00 -1.74 0.00 0.00 68.15 69.47 2r0b h THR 138 CO 0.05 0.67 0.00 0.49 0.37 0.00 0.00 175.52 177.10 2r0b n PHE 139 N -3.93 0.43 -2.48 3.16 3.72 -0.21 -4.98 117.46 113.18 2r0b n PHE 139 Ca -0.10 -0.29 -0.15 0.00 -0.05 0.00 0.00 57.45 56.86 2r0b n PHE 139 Cb 0.83 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 39.37 2r0b n PHE 139 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2r0b n GLY 140 N 1.08 -0.21 3.89 1.37 0.00 -0.61 -5.00 105.19 105.71 2r0b n GLY 140 Ca 0.15 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 2r0b n GLY 140 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2r0b s MET 141 N -4.97 3.41 0.88 1.61 -1.94 -0.94 -5.04 119.30 112.31 2r0b s MET 141 Ca 0.08 -0.29 -0.12 0.00 -1.71 0.00 0.00 55.69 53.66 2r0b s MET 141 Cb -0.04 -3.10 0.12 0.00 2.01 0.00 0.00 34.83 33.82 2r0b s MET 141 CO 0.10 0.70 1.10 0.15 -0.01 0.00 0.00 175.02 177.06 2r0b s LYS 142 N -1.71 1.40 0.11 2.03 1.02 -1.26 -4.43 119.74 116.90 2r0b s LYS 142 Ca 0.24 0.68 -0.24 0.00 0.02 0.00 0.00 55.97 56.67 2r0b s LYS 142 Cb -0.12 -1.84 -0.09 0.00 -0.52 0.00 0.00 37.83 35.25 2r0b s LYS 142 CO 0.15 -2.10 1.69 -0.92 -0.92 0.00 0.00 175.35 173.24 2r0b h TYR 143 N -1.44 -0.32 -0.86 3.18 3.20 -1.97 -1.02 116.97 117.73 2r0b h TYR 143 Ca -0.49 0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.46 2r0b h TYR 143 Cb 1.29 0.14 -0.06 0.00 1.54 0.00 0.00 36.73 39.64 2r0b h TYR 143 CO 0.41 -0.19 0.56 0.07 -1.64 0.00 0.00 178.16 177.37 2r0b h ARG 144 N -0.23 0.89 0.06 1.82 0.11 -1.99 0.31 114.38 115.35 2r0b h ARG 144 Ca 0.03 -0.05 -0.27 0.00 0.10 0.00 0.00 59.98 59.79 2r0b h ARG 144 Cb 0.27 -0.20 0.02 0.00 1.11 0.00 0.00 29.97 31.16 2r0b h ARG 144 CO -0.09 0.59 -1.11 -0.44 0.10 0.00 0.00 179.97 179.02 2r0b h ASP 145 N 0.92 0.73 -0.50 0.08 3.32 -1.87 -1.78 116.42 117.32 2r0b h ASP 145 Ca 0.38 -0.64 -0.11 0.00 0.02 0.00 0.00 57.03 56.68 2r0b h ASP 145 Cb 0.28 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 2r0b h ASP 145 CO -0.15 1.45 -0.11 0.00 -1.72 0.00 0.00 179.24 178.72 2r0b h ALA 146 N 0.48 0.69 -0.23 3.45 0.00 -0.76 -1.60 119.26 121.29 2r0b h ALA 146 Ca -0.14 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 2r0b h ALA 146 Cb 1.77 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 2r0b h ALA 146 CO 0.21 0.59 0.13 0.35 0.00 0.00 0.00 179.25 180.52 2r0b h PHE 147 N 0.81 0.32 -0.93 0.00 3.57 -0.41 -1.78 116.94 118.53 2r0b h PHE 147 Ca 0.13 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.64 2r0b h PHE 147 Cb 0.66 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.25 2r0b h PHE 147 CO 0.05 0.28 0.61 0.00 -2.23 0.00 0.00 178.31 177.02 2r0b h ALA 148 N 1.01 1.36 -0.37 2.41 0.00 -1.26 -0.21 119.26 122.21 2r0b h ALA 148 Ca 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2r0b h ALA 148 Cb 0.07 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2r0b h ALA 148 CO -0.01 0.57 0.15 -0.92 0.00 0.00 0.00 179.25 179.04 2r0b h TYR 149 N 1.22 0.57 -0.21 0.00 3.20 -0.98 -2.03 116.97 118.74 2r0b h TYR 149 Ca 0.35 -0.04 -0.20 0.00 3.14 0.00 0.00 58.73 61.97 2r0b h TYR 149 Cb -0.09 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.02 2r0b h TYR 149 CO -0.00 0.52 -0.66 0.28 -1.64 0.00 0.00 178.16 176.65 2r0b h VAL 150 N 0.46 1.28 -0.48 1.81 2.07 -0.93 -3.06 116.25 117.40 2r0b h VAL 150 Ca 0.12 -1.86 0.04 0.00 0.82 0.00 0.00 66.70 65.82 2r0b h VAL 150 Cb 0.19 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 2r0b h VAL 150 CO -0.01 0.60 0.32 -0.61 0.02 0.00 0.00 177.57 177.89 2r0b h GLN 151 N 0.59 0.49 0.00 1.57 4.15 -0.91 0.97 115.11 121.96 2r0b h GLN 151 Ca -0.02 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.32 2r0b h GLN 151 Cb 1.28 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 2r0b h GLN 151 CO 0.14 0.32 -0.24 0.93 -1.93 0.00 0.00 178.83 178.06 2r0b h GLU 152 N 0.51 0.00 0.09 1.69 4.39 -1.26 -3.03 114.58 116.97 2r0b h GLU 152 Ca 0.20 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.54 2r0b h GLU 152 Cb 0.16 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 2r0b h GLU 152 CO -0.05 0.24 -2.03 0.54 -1.16 0.00 0.00 179.01 176.54 2r0b n ARG 153 N -4.12 0.73 -3.81 2.33 3.00 -0.37 -4.74 116.66 109.68 2r0b n ARG 153 Ca -0.02 0.25 -0.30 0.00 -0.01 0.00 0.00 57.85 57.76 2r0b n ARG 153 Cb 0.30 -1.69 -0.15 0.00 0.00 0.00 0.00 32.46 30.92 2r0b n ARG 153 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2r0b s ARG 154 N -2.56 1.05 0.60 5.56 3.52 0.20 -4.94 118.95 122.39 2r0b s ARG 154 Ca -0.22 -1.50 0.31 0.00 -0.13 0.00 0.00 55.73 54.20 2r0b s ARG 154 Cb 0.07 -2.41 1.81 0.00 -1.56 0.00 0.00 34.95 32.86 2r0b s ARG 154 CO 0.76 -1.01 2.18 0.27 -0.81 0.00 0.00 175.30 176.69 2r0b h PHE 155 N 7.68 0.00 -0.09 5.12 -5.15 -1.80 -2.83 116.94 119.87 2r0b h PHE 155 Ca -0.09 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.68 2r0b h PHE 155 Cb 1.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.17 2r0b h PHE 155 CO 0.41 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.72 2r0b s ILE 157 N -1.90 2.79 -0.44 0.00 -4.36 -1.07 -4.82 121.20 111.40 2r0b s ILE 157 Ca 0.34 0.64 0.02 0.00 -0.26 0.00 0.00 60.65 61.40 2r0b s ILE 157 Cb 0.20 -3.35 0.22 0.00 1.25 0.00 0.00 42.46 40.79 2r0b s ILE 157 CO 0.31 0.04 0.93 -3.20 0.24 0.00 0.00 174.94 173.26 2r0b n ASN 158 N -0.29 -2.55 -4.78 4.36 5.15 0.70 -5.00 115.26 112.86 2r0b n ASN 158 Ca 0.06 -2.42 -0.41 0.00 -0.60 0.00 0.00 54.58 51.21 2r0b n ASN 158 Cb 0.46 1.40 -0.00 0.00 -0.53 0.00 0.00 39.78 41.10 2r0b n ASN 158 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2r0b s PRO 159 N 0.73 4.12 1.03 1.20 0.02 -1.22 -4.29 135.00 136.59 2r0b s PRO 159 Ca 0.29 2.56 -0.12 0.00 0.02 0.00 0.00 61.00 63.75 2r0b s PRO 159 Cb 0.12 -2.98 0.21 0.00 0.02 0.00 0.00 34.50 31.87 2r0b s PRO 159 CO -0.12 -0.53 1.08 0.54 -0.33 0.00 0.00 177.00 177.64 2r0b s ASN 160 N -0.11 2.11 0.41 2.53 2.20 -1.26 -4.72 114.94 116.10 2r0b s ASN 160 Ca 0.53 1.72 0.11 0.00 -0.94 0.00 0.00 52.86 54.28 2r0b s ASN 160 Cb -0.46 -2.36 0.87 0.00 -2.00 0.00 0.00 41.25 37.30 2r0b s ASN 160 CO 0.62 -3.53 1.95 0.00 -2.94 0.00 0.00 177.10 173.20 2r0b h ALA 161 N -2.16 1.59 -0.61 3.54 0.00 -1.94 -1.42 119.26 118.25 2r0b h ALA 161 Ca -0.53 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.12 2r0b h ALA 161 Cb 1.30 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2r0b h ALA 161 CO 0.48 0.30 0.06 0.78 0.00 0.00 0.00 179.25 180.88 2r0b h GLY 162 N 0.64 1.12 1.34 0.00 0.00 -1.91 -1.39 103.07 102.87 2r0b h GLY 162 Ca 0.04 -0.77 -0.11 0.00 0.00 0.00 0.00 47.33 46.48 2r0b h GLY 162 CO 0.02 0.72 -0.21 0.74 0.00 0.00 0.00 176.54 177.80 2r0b h PHE 163 N 0.94 0.86 -0.03 5.60 0.04 -1.58 -1.28 116.94 121.49 2r0b h PHE 163 Ca 0.18 -0.19 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 2r0b h PHE 163 Cb 0.48 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.42 2r0b h PHE 163 CO 0.04 0.90 0.01 0.28 -0.60 0.00 0.00 178.31 178.94 2r0b h VAL 164 N 0.67 1.17 -0.83 -0.55 2.07 -0.84 -0.30 116.25 117.64 2r0b h VAL 164 Ca 0.10 -0.50 0.14 0.00 0.82 0.00 0.00 66.70 67.25 2r0b h VAL 164 Cb 0.71 1.46 -0.09 0.00 -1.52 0.00 0.00 31.29 31.85 2r0b h VAL 164 CO 0.05 0.13 0.42 0.45 0.02 0.00 0.00 177.57 178.65 2r0b h HIS 165 N -0.16 0.74 -0.08 1.57 3.86 -1.16 -1.94 115.15 117.99 2r0b h HIS 165 Ca 0.01 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.14 2r0b h HIS 165 Cb 0.21 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 2r0b h HIS 165 CO -0.00 0.19 -0.46 1.96 0.86 0.00 0.00 177.93 180.48 2r0b h GLN 166 N 0.62 0.18 -0.16 2.45 4.20 -0.81 -0.15 115.11 121.44 2r0b h GLN 166 Ca 0.44 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 59.06 2r0b h GLN 166 Cb 0.59 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 2r0b h GLN 166 CO -0.35 0.61 0.09 -0.07 -0.67 0.00 0.00 178.83 178.44 2r0b h LEU 167 N 0.15 0.20 -1.10 1.46 3.38 -0.49 -1.38 115.31 117.54 2r0b h LEU 167 Ca 0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2r0b h LEU 167 Cb 0.87 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 2r0b h LEU 167 CO 0.07 0.23 0.48 1.56 0.09 0.00 0.00 178.44 180.86 2r0b h GLN 168 N 0.17 1.10 -0.47 1.13 4.20 -1.13 -2.14 115.11 117.95 2r0b h GLN 168 Ca 0.06 -0.10 -0.09 0.00 0.06 0.00 0.00 58.65 58.58 2r0b h GLN 168 Cb 0.07 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 2r0b h GLN 168 CO -0.01 0.77 -0.07 1.49 -0.67 0.00 0.00 178.83 180.35 2r0b h GLU 169 N 1.11 0.84 -0.10 1.46 4.81 -0.81 -2.07 114.58 119.82 2r0b h GLU 169 Ca 0.29 -0.27 -0.20 0.00 -0.13 0.00 0.00 59.36 59.06 2r0b h GLU 169 Cb -0.03 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 2r0b h GLU 169 CO -0.05 0.88 -0.75 -0.92 -0.73 0.00 0.00 179.01 177.44 2r0b h TYR 170 N 0.76 0.71 -0.81 0.92 3.20 -1.03 -2.55 116.97 118.17 2r0b h TYR 170 Ca 0.13 -0.31 -0.01 0.00 3.14 0.00 0.00 58.73 61.68 2r0b h TYR 170 Cb 0.56 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 2r0b h TYR 170 CO 0.03 1.10 0.48 1.49 -1.64 0.00 0.00 178.16 179.62 2r0b h GLU 171 N 0.35 1.11 -0.83 1.82 4.81 -1.12 -1.17 114.58 119.55 2r0b h GLU 171 Ca -0.04 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.11 2r0b h GLU 171 Cb 1.34 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 2r0b h GLU 171 CO 0.14 0.79 0.55 0.00 -0.73 0.00 0.00 179.01 179.75 2r0b h ALA 172 N 1.26 1.45 0.49 2.92 0.00 -1.14 -1.33 119.26 122.92 2r0b h ALA 172 Ca 0.29 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2r0b h ALA 172 Cb -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.46 2r0b h ALA 172 CO -0.05 0.48 -0.24 0.82 0.00 0.00 0.00 179.25 180.26 2r0b h ILE 173 N 1.07 0.49 0.00 0.00 2.04 -0.91 -2.56 117.51 117.65 2r0b h ILE 173 Ca 0.32 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.95 2r0b h ILE 173 Cb -0.04 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2r0b h ILE 173 CO -0.08 0.04 0.00 0.10 0.00 0.00 0.00 178.15 178.20 2r0b h TYR 174 N -0.80 0.00 0.00 1.37 -0.00 -1.01 -2.60 116.97 113.93 2r0b h TYR 174 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.65 2r0b h TYR 174 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.29 2r0b h TYR 174 CO -0.01 0.00 -0.46 -0.07 -0.00 0.00 0.00 178.16 177.62 2r0b h LEU 175 N 0.00 0.00 0.00 0.10 3.38 -1.26 -3.52 115.31 114.01 2r0b h LEU 175 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2r0b h LEU 175 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2r0b h LEU 175 CO 0.00 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.59