#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxh n LYS 2 N 0.00 -0.98 -0.92 0.00 4.01 -1.26 -4.41 118.16 114.60 3cxh n LYS 2 Ca 0.00 -1.34 0.00 0.00 -0.51 0.00 0.00 58.31 56.46 3cxh n LYS 2 Cb 0.00 -0.92 0.00 0.00 -0.51 0.00 0.00 35.03 33.60 3cxh n LYS 2 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 3cxh n GLU 3 N -2.92 -0.48 0.00 1.97 1.02 -1.26 -4.62 120.64 114.35 3cxh n GLU 3 Ca 0.11 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 3cxh n GLU 3 Cb 0.38 -3.59 0.00 0.00 -0.02 0.00 0.00 31.44 28.21 3cxh n GLU 3 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3cxh n SER 4 N -0.24 0.00 -0.36 1.62 3.41 -1.26 -5.12 113.62 111.67 3cxh n SER 4 Ca 0.00 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 3cxh n SER 4 Cb 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 3cxh n SER 4 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3cxh n THR 5 N 0.00 0.00 0.00 6.66 -2.24 -1.26 -5.05 114.28 112.39 3cxh n THR 5 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3cxh n THR 5 Cb 0.37 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 3cxh n THR 5 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cxh n GLY 6 N 5.00 -0.24 3.75 3.38 0.00 -1.26 -5.11 105.19 110.70 3cxh n GLY 6 Ca 0.00 0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3cxh n GLY 6 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3cxh s PHE 7 N 0.00 3.40 -0.00 1.61 5.36 -1.26 -5.04 117.98 122.04 3cxh s PHE 7 Ca 0.00 1.46 -0.01 0.00 -0.96 0.00 0.00 56.93 57.41 3cxh s PHE 7 Cb 0.00 -3.45 -0.00 0.00 -0.34 0.00 0.00 43.02 39.23 3cxh s PHE 7 CO 0.00 -1.22 0.03 0.15 -1.46 0.00 0.00 175.22 172.71 3cxh s LYS 8 N -0.65 0.13 1.11 10.12 1.02 -1.26 -5.03 119.74 125.19 3cxh s LYS 8 Ca 0.51 -0.13 -0.17 0.00 0.02 0.00 0.00 55.97 56.20 3cxh s LYS 8 Cb -0.34 0.05 0.12 0.00 -0.52 0.00 0.00 37.83 37.15 3cxh s LYS 8 CO 0.40 -0.02 0.21 -2.30 -0.92 0.00 0.00 175.35 172.71 3cxh n PRO 9 N 2.61 -1.56 0.00 -1.68 -0.02 -1.26 -4.75 135.00 128.34 3cxh n PRO 9 Ca -0.16 -0.43 0.00 0.00 -2.02 0.00 0.00 63.50 60.89 3cxh n PRO 9 Cb 0.58 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 3cxh n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cxh n GLY 10 N 1.80 2.47 3.68 -1.23 0.00 -1.26 -4.86 105.19 105.78 3cxh n GLY 10 Ca 0.02 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 3cxh n GLY 10 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3cxh s SER 11 N 2.00 7.09 0.35 1.61 0.15 -1.26 -4.94 113.70 118.69 3cxh s SER 11 Ca 0.00 1.34 0.19 0.00 0.70 0.00 0.00 55.95 58.18 3cxh s SER 11 Cb 0.00 -2.51 0.18 0.00 -1.71 0.00 0.00 66.02 61.99 3cxh s SER 11 CO 0.00 -0.45 1.50 0.00 1.20 0.00 0.00 173.24 175.49 3cxh h ALA 12 N 7.24 0.82 0.17 5.45 0.00 -1.92 -2.62 119.26 128.39 3cxh h ALA 12 Ca -0.29 -0.25 -0.25 0.00 0.00 0.00 0.00 54.91 54.13 3cxh h ALA 12 Cb 1.13 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.91 3cxh h ALA 12 CO 0.86 0.33 -1.12 0.87 0.00 0.00 0.00 179.25 180.20 3cxh h LYS 13 N 0.00 0.35 -0.47 0.00 1.57 -1.92 -1.95 116.57 114.15 3cxh h LYS 13 Ca -0.01 -0.61 -0.03 0.00 -1.87 0.00 0.00 60.65 58.14 3cxh h LYS 13 Cb 1.21 0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.72 3cxh h LYS 13 CO 0.03 1.29 0.16 -0.22 -0.57 0.00 0.00 179.45 180.14 3cxh h LYS 14 N -0.22 0.68 0.00 3.15 3.64 -1.90 -2.14 116.57 119.79 3cxh h LYS 14 Ca -0.21 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.05 3cxh h LYS 14 Cb 1.81 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 33.51 3cxh h LYS 14 CO 0.17 0.59 -0.34 0.78 -2.27 0.00 0.00 179.45 178.38 3cxh h GLY 15 N 0.84 0.00 1.55 5.01 0.00 -1.53 -2.89 103.07 106.05 3cxh h GLY 15 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.36 3cxh h GLY 15 CO -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 176.54 176.14 3cxh h ALA 16 N 1.91 0.92 0.00 3.60 0.00 -0.66 -1.75 119.26 123.27 3cxh h ALA 16 Ca -0.01 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 3cxh h ALA 16 Cb 1.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3cxh h ALA 16 CO 0.01 0.63 -1.17 1.79 0.00 0.00 0.00 179.25 180.51 3cxh h THR 17 N 0.42 0.27 -0.06 0.00 1.35 -1.61 -2.99 112.91 110.29 3cxh h THR 17 Ca 0.04 -1.53 -0.10 0.00 -0.55 0.00 0.00 66.41 64.27 3cxh h THR 17 Cb 0.87 1.80 -0.01 0.00 -1.73 0.00 0.00 68.15 69.08 3cxh h THR 17 CO 0.07 0.16 -0.42 0.25 -0.25 0.00 0.00 175.52 175.32 3cxh h LEU 18 N 0.00 0.13 0.06 3.87 5.85 -1.37 0.11 115.31 123.96 3cxh h LEU 18 Ca -0.08 -0.05 -0.20 0.00 0.84 0.00 0.00 57.88 58.38 3cxh h LEU 18 Cb 1.30 -0.04 0.02 0.00 0.37 0.00 0.00 40.66 42.32 3cxh h LEU 18 CO 0.03 0.54 -0.83 0.15 -0.34 0.00 0.00 178.44 177.99 3cxh h PHE 19 N 0.10 0.72 -0.84 1.25 3.04 -1.40 -2.44 116.94 117.38 3cxh h PHE 19 Ca 0.01 -0.44 0.04 0.00 3.98 0.00 0.00 57.97 61.56 3cxh h PHE 19 Cb 0.80 -0.06 -0.05 0.00 2.56 0.00 0.00 35.95 39.19 3cxh h PHE 19 CO 0.01 1.28 0.53 -0.22 -2.02 0.00 0.00 178.31 177.89 3cxh h LYS 20 N -0.04 1.00 0.00 1.11 3.11 -1.31 0.61 116.57 121.06 3cxh h LYS 20 Ca -0.12 -0.06 -0.25 0.00 -2.81 0.00 0.00 60.65 57.41 3cxh h LYS 20 Cb 1.56 -0.23 -0.04 0.00 -1.00 0.00 0.00 32.23 32.52 3cxh h LYS 20 CO 0.16 0.66 -1.38 1.79 -2.81 0.00 0.00 179.45 177.88 3cxh h THR 21 N 1.03 1.15 -0.01 1.00 1.35 -1.07 -3.36 112.91 113.01 3cxh h THR 21 Ca 0.34 -2.91 0.00 0.00 -0.55 0.00 0.00 66.41 63.29 3cxh h THR 21 Cb 0.03 2.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 3cxh h THR 21 CO -0.12 0.65 0.00 0.54 -0.25 0.00 0.00 175.52 176.34 3cxh n ARG 22 N -3.15 -0.53 0.00 4.72 1.74 -0.92 -4.90 116.66 113.62 3cxh n ARG 22 Ca -0.09 -0.66 0.00 0.00 -0.77 0.00 0.00 57.85 56.33 3cxh n ARG 22 Cb 0.98 -1.03 0.00 0.00 -1.02 0.00 0.00 32.46 31.39 3cxh n ARG 22 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cxh n GLN 24 N -1.94 0.14 0.03 0.00 10.64 0.32 -2.15 117.38 124.42 3cxh n GLN 24 Ca 0.00 0.19 -0.11 0.00 -1.83 0.00 0.00 57.00 55.25 3cxh n GLN 24 Cb 0.16 -1.50 -0.06 0.00 -0.86 0.00 0.00 30.24 27.97 3cxh n GLN 24 CO 0.00 0.00 0.00 0.37 -1.83 0.00 0.00 177.06 175.60 3cxh h GLN 25 N 0.00 0.00 0.00 2.61 4.15 -1.85 -3.22 115.11 116.80 3cxh h GLN 25 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3cxh h GLN 25 Cb 0.10 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.79 3cxh h GLN 25 CO 0.00 0.00 -1.38 0.00 -1.93 0.00 0.00 178.83 175.52 3cxh s HIS 27 N -3.17 2.01 -0.06 0.00 3.76 -0.91 -1.11 115.29 115.80 3cxh s HIS 27 Ca 0.02 -0.42 0.03 0.00 -0.15 0.00 0.00 55.06 54.54 3cxh s HIS 27 Cb 0.15 -1.02 0.01 0.00 1.11 0.00 0.00 32.58 32.83 3cxh s HIS 27 CO 0.87 0.36 -0.13 0.95 -0.85 0.00 0.00 174.74 175.94 3cxh s THR 28 N -1.67 1.22 -1.30 1.30 -4.23 -1.26 -4.24 115.64 105.45 3cxh s THR 28 Ca 0.15 -0.53 0.14 0.00 -1.18 0.00 0.00 61.69 60.27 3cxh s THR 28 Cb -0.08 -1.10 0.00 0.00 1.34 0.00 0.00 72.50 72.67 3cxh s THR 28 CO 0.07 0.37 0.78 0.00 -0.54 0.00 0.00 174.62 175.30 3cxh n ILE 29 N 3.72 0.00 -2.40 2.99 3.06 -1.26 -0.60 119.36 124.87 3cxh n ILE 29 Ca -0.22 -0.37 -0.33 0.00 -2.50 0.00 0.00 62.75 59.33 3cxh n ILE 29 Cb 0.52 1.17 -0.03 0.00 0.54 0.00 0.00 39.64 41.84 3cxh n ILE 29 CO 0.00 0.00 0.00 -1.83 -2.50 0.00 0.00 176.55 172.22 3cxh s GLU 30 N -1.65 3.85 -0.06 9.51 -1.05 -1.26 -3.22 118.70 124.81 3cxh s GLU 30 Ca 0.12 1.07 -0.30 0.00 -0.15 0.00 0.00 54.97 55.71 3cxh s GLU 30 Cb 0.11 -2.12 -0.04 0.00 -0.44 0.00 0.00 34.13 31.64 3cxh s GLU 30 CO 0.33 -0.36 1.39 -2.00 0.95 0.00 0.00 175.26 175.57 3cxh s GLU 31 N -3.85 4.26 0.00 -4.83 2.12 -1.26 -1.81 118.70 113.32 3cxh s GLU 31 Ca 0.61 1.89 0.00 0.00 0.36 0.00 0.00 54.97 57.83 3cxh s GLU 31 Cb -0.12 -3.70 0.00 0.00 0.26 0.00 0.00 34.13 30.58 3cxh s GLU 31 CO 0.29 -0.64 0.00 0.41 -0.54 0.00 0.00 175.26 174.77 3cxh n GLY 32 N 3.69 0.79 3.75 -1.50 0.00 -1.26 -5.06 105.19 105.60 3cxh n GLY 32 Ca 0.14 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 3cxh n GLY 32 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cxh s GLY 33 N -2.26 2.51 0.89 -0.02 0.00 -0.75 -5.07 107.32 102.61 3cxh s GLY 33 Ca 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 44.72 44.54 3cxh s GLY 33 CO 0.00 0.77 1.09 2.56 0.00 0.00 0.00 173.10 177.52 3cxh s PRO 34 N 0.20 1.33 0.21 2.90 0.04 -1.26 -4.75 135.00 133.67 3cxh s PRO 34 Ca 0.29 0.91 -0.17 0.00 0.04 0.00 0.00 61.00 62.06 3cxh s PRO 34 Cb -0.17 -1.81 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 3cxh s PRO 34 CO 0.14 -2.21 0.67 -0.80 0.04 0.00 0.00 177.00 174.84 3cxh s ASN 35 N -3.36 6.96 0.00 6.66 0.01 -1.26 -4.49 114.94 119.46 3cxh s ASN 35 Ca 0.63 1.30 0.00 0.00 -0.71 0.00 0.00 52.86 54.08 3cxh s ASN 35 Cb -0.18 -2.37 0.00 0.00 0.41 0.00 0.00 41.25 39.11 3cxh s ASN 35 CO 0.57 0.04 0.00 0.29 -1.51 0.00 0.00 177.10 176.49 3cxh n LYS 36 N 0.66 0.77 -0.35 -0.60 5.02 -1.26 -4.97 118.16 117.43 3cxh n LYS 36 Ca -0.03 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.25 3cxh n LYS 36 Cb 0.51 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 35.67 3cxh n LYS 36 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3cxh h VAL 37 N 0.00 1.22 -2.09 -0.18 2.07 -1.86 -3.42 116.25 111.99 3cxh h VAL 37 Ca 0.00 -0.44 -0.58 0.00 0.82 0.00 0.00 66.70 66.50 3cxh h VAL 37 Cb 0.00 -0.17 -0.11 0.00 -1.52 0.00 0.00 31.29 29.49 3cxh h VAL 37 CO 0.00 0.23 -0.65 -0.83 0.02 0.00 0.00 177.57 176.34 3cxh s GLY 38 N -3.19 1.86 0.67 2.17 0.00 -0.26 -5.06 107.32 103.51 3cxh s GLY 38 Ca -0.13 -1.82 -0.14 0.00 0.00 0.00 0.00 44.72 42.64 3cxh s GLY 38 CO 0.81 -1.84 1.09 2.56 0.00 0.00 0.00 173.10 175.73 3cxh s PRO 39 N -3.67 2.80 0.35 2.90 0.04 -1.26 -4.61 135.00 131.54 3cxh s PRO 39 Ca 0.33 1.28 -0.28 0.00 0.04 0.00 0.00 61.00 62.36 3cxh s PRO 39 Cb -0.04 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 32.44 3cxh s PRO 39 CO 0.19 -1.24 1.42 1.21 0.04 0.00 0.00 177.00 178.62 3cxh s ASN 40 N -2.87 6.52 0.00 6.66 3.84 -1.26 -4.50 114.94 123.32 3cxh s ASN 40 Ca 0.65 2.89 0.20 0.00 0.21 0.00 0.00 52.86 56.81 3cxh s ASN 40 Cb -0.19 -2.66 0.44 0.00 -0.55 0.00 0.00 41.25 38.29 3cxh s ASN 40 CO 0.44 -0.74 1.37 0.18 -2.79 0.00 0.00 177.10 175.56 3cxh n LEU 41 N 0.77 3.40 -4.72 3.21 4.77 0.23 -4.91 117.00 119.76 3cxh n LEU 41 Ca 0.01 -1.67 -0.42 0.00 -0.03 0.00 0.00 56.01 53.91 3cxh n LEU 41 Cb 0.40 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3cxh n LEU 41 CO 0.62 0.78 1.07 -2.28 -1.33 0.00 0.00 177.39 176.25 3cxh s HIS 42 N -1.24 3.23 -0.51 -1.77 2.46 -1.20 -2.40 115.29 113.86 3cxh s HIS 42 Ca 0.37 0.94 0.00 0.00 0.47 0.00 0.00 55.06 56.84 3cxh s HIS 42 Cb 0.21 -3.70 0.00 0.00 -0.13 0.00 0.00 32.58 28.96 3cxh s HIS 42 CO 0.28 -2.45 0.00 0.41 -2.47 0.00 0.00 174.74 170.51 3cxh n GLY 43 N 3.46 0.68 0.30 1.59 0.00 0.41 -4.90 105.19 106.74 3cxh n GLY 43 Ca 0.11 -0.27 0.04 0.00 0.00 0.00 0.00 46.02 45.90 3cxh n GLY 43 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3cxh h ILE 44 N 0.00 1.11 0.00 -0.61 6.09 -1.72 -2.42 117.51 119.96 3cxh h ILE 44 Ca -0.10 -0.24 0.00 0.00 -1.37 0.00 0.00 64.86 63.15 3cxh h ILE 44 Cb 0.56 0.60 0.00 0.00 0.47 0.00 0.00 36.82 38.45 3cxh h ILE 44 CO 0.14 0.11 0.00 0.49 -3.07 0.00 0.00 178.15 175.82 3cxh n PHE 45 N -4.46 0.00 -0.03 2.19 3.72 -1.26 -3.45 117.46 114.18 3cxh n PHE 45 Ca 0.02 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.40 3cxh n PHE 45 Cb 0.08 -0.26 -0.01 0.00 -0.94 0.00 0.00 39.48 38.35 3cxh n PHE 45 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3cxh n GLY 46 N -0.66 -0.55 3.39 1.37 0.00 -0.91 -4.53 105.19 103.30 3cxh n GLY 46 Ca 0.04 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 3cxh n GLY 46 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3cxh s ARG 47 N -1.51 -2.10 0.59 1.61 1.70 -1.22 -4.51 118.95 113.51 3cxh s ARG 47 Ca -0.07 0.39 -0.04 0.00 -0.47 0.00 0.00 55.73 55.53 3cxh s ARG 47 Cb 0.01 -1.45 0.02 0.00 -0.57 0.00 0.00 34.95 32.96 3cxh s ARG 47 CO 0.11 -4.39 0.88 -1.01 -1.08 0.00 0.00 175.30 169.81 3cxh s HIS 48 N -2.38 3.12 0.18 5.89 3.76 -1.26 -3.01 115.29 121.59 3cxh s HIS 48 Ca 0.69 0.46 -0.31 0.00 -0.15 0.00 0.00 55.06 55.75 3cxh s HIS 48 Cb -0.18 -2.79 -0.09 0.00 1.11 0.00 0.00 32.58 30.63 3cxh s HIS 48 CO 0.61 -0.90 1.46 -1.54 -0.85 0.00 0.00 174.74 173.51 3cxh s SER 49 N -4.36 6.69 -0.30 1.40 1.04 -0.64 -3.67 113.70 113.86 3cxh s SER 49 Ca 0.55 2.54 -0.01 0.00 0.48 0.00 0.00 55.95 59.51 3cxh s SER 49 Cb -0.10 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.41 3cxh s SER 49 CO 0.43 -0.72 0.26 0.61 0.98 0.00 0.00 173.24 174.80 3cxh n GLY 50 N 3.08 0.39 0.00 7.32 0.00 -1.26 -4.41 105.19 110.31 3cxh n GLY 50 Ca 0.10 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3cxh n GLY 50 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3cxh n GLN 51 N -1.68 4.67 -1.68 1.61 3.00 -1.24 -4.84 117.38 117.22 3cxh n GLN 51 Ca -0.04 -0.10 -0.45 0.00 -0.01 0.00 0.00 57.00 56.40 3cxh n GLN 51 Cb 0.53 -0.56 -0.04 0.00 0.00 0.00 0.00 30.24 30.18 3cxh n GLN 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 3cxh n VAL 52 N -0.70 0.35 -2.14 5.09 0.31 -1.26 -4.90 118.33 115.08 3cxh n VAL 52 Ca 0.00 -0.06 -0.40 0.00 -0.01 0.00 0.00 64.34 63.86 3cxh n VAL 52 Cb 0.01 -1.93 -0.02 0.00 -0.91 0.00 0.00 33.84 30.98 3cxh n VAL 52 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3cxh s LYS 53 N 2.69 4.32 -0.24 5.55 2.20 -1.26 -3.46 119.74 129.54 3cxh s LYS 53 Ca 0.84 2.17 0.00 0.00 -0.36 0.00 0.00 55.97 58.62 3cxh s LYS 53 Cb -0.58 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 3cxh s LYS 53 CO 0.41 -0.20 0.00 0.41 -0.36 0.00 0.00 175.35 175.61 3cxh n GLY 54 N 0.80 0.56 3.04 5.54 0.00 -1.26 -5.03 105.19 108.84 3cxh n GLY 54 Ca 0.00 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 3cxh n GLY 54 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3cxh s TYR 55 N -2.06 1.99 -0.57 1.61 5.04 -1.22 -5.00 117.35 117.14 3cxh s TYR 55 Ca 0.00 -0.97 -0.28 0.00 -2.44 0.00 0.00 57.07 53.38 3cxh s TYR 55 Cb 0.00 -1.45 0.02 0.00 0.35 0.00 0.00 41.96 40.88 3cxh s TYR 55 CO 0.00 -0.51 1.38 -1.54 -1.34 0.00 0.00 175.55 173.54 3cxh s SER 56 N 1.11 6.17 0.57 4.32 1.04 -1.26 -4.95 113.70 120.69 3cxh s SER 56 Ca -0.04 0.24 -0.02 0.00 0.48 0.00 0.00 55.95 56.61 3cxh s SER 56 Cb -0.14 -2.55 0.03 0.00 0.10 0.00 0.00 66.02 63.45 3cxh s SER 56 CO -0.04 -1.69 0.82 -0.31 0.98 0.00 0.00 173.24 173.01 3cxh s TYR 57 N 5.91 3.02 0.28 5.02 2.02 -1.26 -5.07 117.35 127.28 3cxh s TYR 57 Ca 0.51 0.25 -0.17 0.00 -0.37 0.00 0.00 57.07 57.28 3cxh s TYR 57 Cb -0.10 -2.74 -0.09 0.00 -0.40 0.00 0.00 41.96 38.63 3cxh s TYR 57 CO 0.25 -0.85 0.74 0.99 -1.57 0.00 0.00 175.55 175.10 3cxh s THR 58 N -2.85 4.61 0.39 -0.71 2.01 -1.26 -4.97 115.64 112.86 3cxh s THR 58 Ca 0.55 1.12 0.07 0.00 0.31 0.00 0.00 61.69 63.74 3cxh s THR 58 Cb -0.10 -3.72 0.22 0.00 0.01 0.00 0.00 72.50 68.90 3cxh s THR 58 CO 0.41 -0.01 1.99 0.44 -0.69 0.00 0.00 174.62 176.75 3cxh h ASP 59 N 2.77 0.43 0.34 3.53 5.19 -1.99 -2.23 116.42 124.47 3cxh h ASP 59 Ca -0.48 -0.04 -0.06 0.00 -0.62 0.00 0.00 57.03 55.83 3cxh h ASP 59 Cb 1.18 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.57 3cxh h ASP 59 CO 0.65 0.40 -0.29 0.00 -3.12 0.00 0.00 179.24 176.89 3cxh h ALA 60 N 1.66 1.45 0.07 3.45 0.00 -1.87 0.17 119.26 124.19 3cxh h ALA 60 Ca 0.12 -0.26 -0.27 0.00 0.00 0.00 0.00 54.91 54.50 3cxh h ALA 60 Cb 0.11 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 17.88 3cxh h ALA 60 CO -0.01 0.36 -1.10 -0.97 0.00 0.00 0.00 179.25 177.53 3cxh h ASN 61 N 0.00 0.84 -0.20 0.00 -1.24 -1.77 -2.78 115.58 110.43 3cxh h ASN 61 Ca -0.00 -0.80 -0.10 0.00 0.71 0.00 0.00 56.30 56.11 3cxh h ASN 61 Cb 0.53 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 39.32 3cxh h ASN 61 CO 0.04 1.54 -0.25 0.40 -1.29 0.00 0.00 177.43 177.87 3cxh h ILE 62 N 0.24 1.33 0.00 2.57 2.04 -1.27 -2.92 117.51 119.50 3cxh h ILE 62 Ca -0.16 -1.44 0.00 0.00 1.00 0.00 0.00 64.86 64.26 3cxh h ILE 62 Cb 1.78 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 39.65 3cxh h ILE 62 CO 0.21 0.44 0.00 0.59 0.00 0.00 0.00 178.15 179.39 3cxh n ASN 63 N -4.39 0.00 0.04 1.72 3.02 0.57 -2.51 115.26 113.71 3cxh n ASN 63 Ca -0.05 -1.03 -0.08 0.00 -0.03 0.00 0.00 54.58 53.39 3cxh n ASN 63 Cb 0.44 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.48 3cxh n ASN 63 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3cxh h LYS 64 N 0.00 0.03 -6.65 3.52 1.63 -1.28 -3.49 116.57 110.33 3cxh h LYS 64 Ca 0.00 -0.05 -0.46 0.00 -0.85 0.00 0.00 60.65 59.29 3cxh h LYS 64 Cb 0.00 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 3cxh h LYS 64 CO 0.00 0.87 -1.10 -1.71 -3.45 0.00 0.00 179.45 174.06 3cxh n ASN 65 N -3.28 -4.73 -4.16 4.20 5.15 -1.04 -4.98 115.26 106.42 3cxh n ASN 65 Ca -0.06 -0.79 -0.27 0.00 -0.60 0.00 0.00 54.58 52.86 3cxh n ASN 65 Cb 0.98 -1.53 -0.16 0.00 -0.53 0.00 0.00 39.78 38.54 3cxh n ASN 65 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3cxh s VAL 66 N -2.63 1.51 -0.48 3.44 -7.23 -1.26 -4.92 120.40 108.84 3cxh s VAL 66 Ca 0.08 -0.78 -0.28 0.00 -1.81 0.00 0.00 61.98 59.19 3cxh s VAL 66 Cb -0.01 -1.29 0.03 0.00 0.56 0.00 0.00 36.38 35.67 3cxh s VAL 66 CO 0.86 0.43 1.06 -0.54 -0.31 0.00 0.00 175.10 176.61 3cxh s LYS 67 N -0.10 3.64 -0.48 4.82 1.02 -1.26 -1.62 119.74 125.76 3cxh s LYS 67 Ca -0.01 0.40 -0.27 0.00 0.02 0.00 0.00 55.97 56.11 3cxh s LYS 67 Cb -0.11 -3.92 -0.05 0.00 -0.52 0.00 0.00 37.83 33.24 3cxh s LYS 67 CO 0.02 -1.34 2.14 -1.58 -0.92 0.00 0.00 175.35 173.67 3cxh s TRP 68 N 4.22 1.36 0.43 3.18 0.23 -1.17 -4.89 118.94 122.31 3cxh s TRP 68 Ca 0.44 1.09 0.06 0.00 -2.03 0.00 0.00 56.10 55.66 3cxh s TRP 68 Cb -0.08 -3.85 -0.06 0.00 0.03 0.00 0.00 33.47 29.52 3cxh s TRP 68 CO 0.30 -2.68 0.07 0.16 0.96 0.00 0.00 176.95 175.76 3cxh s ASP 69 N 9.74 4.11 0.21 2.95 1.47 -1.26 -4.21 116.67 129.68 3cxh s ASP 69 Ca 0.86 -1.32 -0.10 0.00 1.18 0.00 0.00 52.55 53.17 3cxh s ASP 69 Cb -0.18 -0.25 0.30 0.00 -0.34 0.00 0.00 42.92 42.45 3cxh s ASP 69 CO 0.26 -0.57 1.69 -0.33 0.68 0.00 0.00 175.17 176.90 3cxh h GLU 70 N 1.56 0.19 -0.59 2.11 3.07 -1.93 -0.96 114.58 118.04 3cxh h GLU 70 Ca -0.43 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.34 3cxh h GLU 70 Cb 1.26 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 29.10 3cxh h GLU 70 CO 0.76 0.13 0.07 -0.44 -1.40 0.00 0.00 179.01 178.12 3cxh h ASP 71 N 0.20 0.92 -0.20 1.42 3.45 -1.96 -1.01 116.42 119.25 3cxh h ASP 71 Ca 0.32 -0.22 -0.12 0.00 0.43 0.00 0.00 57.03 57.44 3cxh h ASP 71 Cb 0.50 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 39.03 3cxh h ASP 71 CO -0.45 0.94 -0.36 0.77 -1.57 0.00 0.00 179.24 178.57 3cxh h SER 72 N 0.90 0.66 -0.60 6.45 4.64 -1.78 -2.26 113.55 121.56 3cxh h SER 72 Ca 0.18 -0.54 -0.02 0.00 -0.47 0.00 0.00 61.79 60.94 3cxh h SER 72 Cb 0.43 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.30 3cxh h SER 72 CO 0.01 1.08 0.31 -0.03 -0.87 0.00 0.00 176.83 177.33 3cxh h MET 73 N 0.27 0.88 -0.26 4.77 1.85 -1.07 -0.43 114.93 120.94 3cxh h MET 73 Ca 0.01 -0.11 -0.04 0.00 -0.61 0.00 0.00 59.70 58.95 3cxh h MET 73 Cb 0.95 -0.17 -0.01 0.00 0.43 0.00 0.00 31.60 32.81 3cxh h MET 73 CO 0.08 0.67 -0.00 1.03 -0.40 0.00 0.00 176.91 178.29 3cxh h SER 74 N 0.88 0.45 0.07 1.39 0.87 -1.12 0.40 113.55 116.50 3cxh h SER 74 Ca 0.22 -0.31 -0.07 0.00 -1.23 0.00 0.00 61.79 60.40 3cxh h SER 74 Cb 0.08 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3cxh h SER 74 CO -0.03 0.65 -0.22 -0.08 -0.53 0.00 0.00 176.83 176.62 3cxh h GLU 75 N 0.24 0.28 0.04 2.24 4.81 -0.99 -2.64 114.58 118.55 3cxh h GLU 75 Ca 0.07 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3cxh h GLU 75 Cb 0.42 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3cxh h GLU 75 CO 0.01 0.49 -0.02 -0.92 -0.73 0.00 0.00 179.01 177.85 3cxh h TYR 76 N 0.25 -0.04 0.00 0.92 -0.00 -0.91 -3.21 116.97 113.98 3cxh h TYR 76 Ca 0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.77 3cxh h TYR 76 Cb 0.54 0.01 0.00 0.00 -0.00 0.00 0.00 36.73 37.29 3cxh h TYR 76 CO 0.01 0.49 0.00 -0.07 -0.00 0.00 0.00 178.16 178.59 3cxh h LEU 77 N -0.61 0.00 -0.10 2.82 3.38 -0.82 -0.79 115.31 119.19 3cxh h LEU 77 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 3cxh h LEU 77 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3cxh h LEU 77 CO 0.01 0.00 -0.34 0.74 0.09 0.00 0.00 178.44 178.94 3cxh h THR 78 N 0.00 1.39 -0.96 0.22 2.02 -1.47 0.40 112.91 114.51 3cxh h THR 78 Ca 0.00 -1.68 -0.09 0.00 0.77 0.00 0.00 66.41 65.41 3cxh h THR 78 Cb 0.15 2.19 -0.18 0.00 -1.74 0.00 0.00 68.15 68.57 3cxh h THR 78 CO 0.00 0.49 -0.45 0.21 0.37 0.00 0.00 175.52 176.14 3cxh s ASN 79 N -6.44 -1.44 0.00 4.18 3.84 -0.96 -4.06 114.94 110.06 3cxh s ASN 79 Ca -0.14 -1.12 0.00 0.00 0.21 0.00 0.00 52.86 51.81 3cxh s ASN 79 Cb 0.05 1.87 0.00 0.00 -0.55 0.00 0.00 41.25 42.61 3cxh s ASN 79 CO 0.79 -0.12 0.00 -2.65 -2.79 0.00 0.00 177.10 172.33 3cxh n PRO 80 N 3.79 0.00 0.00 0.43 -0.02 -0.34 -2.16 135.00 136.70 3cxh n PRO 80 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3cxh n PRO 80 Cb 0.57 -0.63 0.00 0.00 -0.02 0.00 0.00 33.50 33.42 3cxh n PRO 80 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3cxh n LYS 82 N 0.15 0.00 -0.02 -0.52 3.00 -1.26 -0.24 118.16 119.27 3cxh n LYS 82 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.15 3cxh n LYS 82 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.94 3cxh n LYS 82 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 3cxh h TYR 83 N 0.00 0.73 -2.94 5.64 3.20 -1.75 -3.38 116.97 118.46 3cxh h TYR 83 Ca 0.00 -0.33 -0.61 0.00 3.14 0.00 0.00 58.73 60.92 3cxh h TYR 83 Cb 0.00 -0.11 -0.41 0.00 1.54 0.00 0.00 36.73 37.76 3cxh h TYR 83 CO 0.00 1.12 -0.70 0.42 -1.64 0.00 0.00 178.16 177.36 3cxh s ILE 84 N -3.60 1.99 -0.08 1.81 1.01 0.67 -5.09 121.20 117.92 3cxh s ILE 84 Ca -0.13 -3.45 -0.30 0.00 0.00 0.00 0.00 60.65 56.77 3cxh s ILE 84 Cb 0.05 -2.34 -0.08 0.00 0.01 0.00 0.00 42.46 40.11 3cxh s ILE 84 CO 0.83 -1.01 2.06 -2.65 0.00 0.00 0.00 174.94 174.18 3cxh n PRO 85 N 2.62 2.43 0.00 2.79 -0.02 -1.26 -2.03 135.00 139.52 3cxh n PRO 85 Ca 0.18 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 3cxh n PRO 85 Cb 0.37 -3.03 0.00 0.00 -0.02 0.00 0.00 33.50 30.82 3cxh n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cxh n GLY 86 N 5.03 0.68 3.77 -1.23 0.00 -1.26 -4.82 105.19 107.35 3cxh n GLY 86 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 3cxh n GLY 86 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3cxh s THR 87 N -2.00 2.62 -1.64 2.61 -1.32 -0.86 -4.80 115.64 110.25 3cxh s THR 87 Ca 0.00 0.60 0.05 0.00 -1.21 0.00 0.00 61.69 61.12 3cxh s THR 87 Cb 0.00 -3.37 0.16 0.00 -1.51 0.00 0.00 72.50 67.78 3cxh s THR 87 CO 0.00 0.12 1.02 2.29 -2.21 0.00 0.00 174.62 175.84 3cxh n LYS 88 N 0.52 1.55 -2.52 7.08 2.85 -1.26 -4.84 118.16 121.53 3cxh n LYS 88 Ca 0.01 -0.64 -0.43 0.00 -1.05 0.00 0.00 58.31 56.20 3cxh n LYS 88 Cb 0.42 -1.30 -0.02 0.00 -0.65 0.00 0.00 35.03 33.48 3cxh n LYS 88 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 3cxh s MET 89 N -1.66 4.15 -0.69 -1.58 1.75 -1.26 -4.97 119.30 115.04 3cxh s MET 89 Ca 0.12 1.40 -0.20 0.00 -1.25 0.00 0.00 55.69 55.76 3cxh s MET 89 Cb 0.07 -3.75 0.10 0.00 2.84 0.00 0.00 34.83 34.09 3cxh s MET 89 CO 0.06 -0.80 0.90 0.00 -0.65 0.00 0.00 175.02 174.53 3cxh s ALA 90 N 3.61 3.29 -0.30 4.11 0.00 -1.26 -4.93 121.76 126.29 3cxh s ALA 90 Ca 0.51 -2.19 -0.15 0.00 0.00 0.00 0.00 51.96 50.13 3cxh s ALA 90 Cb -0.17 -3.77 0.16 0.00 0.00 0.00 0.00 23.12 19.34 3cxh s ALA 90 CO 0.14 -2.65 0.98 0.12 0.00 0.00 0.00 175.76 174.35 3cxh s PHE 91 N 3.23 -0.64 0.14 0.00 2.19 -1.26 -5.06 117.98 116.59 3cxh s PHE 91 Ca 0.20 1.16 -0.12 0.00 0.33 0.00 0.00 56.93 58.50 3cxh s PHE 91 Cb -0.17 0.38 -0.01 0.00 -1.31 0.00 0.00 43.02 41.91 3cxh s PHE 91 CO 0.05 -0.32 1.54 0.00 1.83 0.00 0.00 175.22 178.32 3cxh h ALA 92 N 6.95 0.62 0.00 11.12 0.00 -1.96 -3.41 119.26 132.58 3cxh h ALA 92 Ca -0.20 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3cxh h ALA 92 Cb 1.14 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3cxh h ALA 92 CO 0.12 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.32 3cxh n GLY 93 N -0.16 3.76 3.47 0.00 0.00 -1.26 -4.42 105.19 106.58 3cxh n GLY 93 Ca -0.01 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 43.92 3cxh n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cxh s LEU 94 N 0.00 4.77 0.51 0.99 1.43 0.14 -4.89 118.68 121.63 3cxh s LEU 94 Ca 0.00 -1.85 0.29 0.00 -1.03 0.00 0.00 54.13 51.54 3cxh s LEU 94 Cb 0.00 -2.42 1.34 0.00 0.03 0.00 0.00 46.19 45.13 3cxh s LEU 94 CO 0.00 -1.17 2.00 0.11 0.23 0.00 0.00 176.35 177.52 3cxh h LYS 95 N 9.05 0.00 -5.62 1.70 1.79 -1.83 -3.39 116.57 118.27 3cxh h LYS 95 Ca 0.12 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.99 3cxh h LYS 95 Cb 1.03 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.58 3cxh h LYS 95 CO 1.16 0.12 -0.00 0.15 -1.08 0.00 0.00 179.45 179.80 3cxh s LYS 96 N -3.90 4.23 0.30 3.15 1.02 -1.26 -4.98 119.74 118.29 3cxh s LYS 96 Ca -0.01 0.50 0.05 0.00 0.02 0.00 0.00 55.97 56.53 3cxh s LYS 96 Cb 0.11 -3.54 0.75 0.00 -0.52 0.00 0.00 37.83 34.63 3cxh s LYS 96 CO 0.58 -0.12 1.71 1.05 -0.92 0.00 0.00 175.35 177.65 3cxh h GLU 97 N 7.33 0.47 0.00 1.68 4.11 -2.02 -1.25 114.58 124.90 3cxh h GLU 97 Ca -0.34 -0.03 -0.13 0.00 0.07 0.00 0.00 59.36 58.93 3cxh h GLU 97 Cb 1.16 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 3cxh h GLU 97 CO 0.75 0.31 -0.63 1.57 0.07 0.00 0.00 179.01 181.08 3cxh h LYS 98 N 0.48 0.00 0.15 1.06 -0.00 -1.96 -2.89 116.57 113.41 3cxh h LYS 98 Ca 0.57 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 61.22 3cxh h LYS 98 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.29 3cxh h LYS 98 CO -0.49 0.63 -0.07 -0.44 -0.00 0.00 0.00 179.45 179.08 3cxh h ASP 99 N 0.00 -0.17 0.44 7.07 3.45 -1.61 -0.79 116.42 124.81 3cxh h ASP 99 Ca -0.01 -0.06 -0.08 0.00 0.43 0.00 0.00 57.03 57.31 3cxh h ASP 99 Cb 1.19 0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.99 3cxh h ASP 99 CO 0.08 -0.04 -0.37 0.08 -1.57 0.00 0.00 179.24 177.42 3cxh h ARG 100 N -0.28 0.00 -0.08 3.56 0.11 -1.58 -1.46 114.38 114.65 3cxh h ARG 100 Ca -0.02 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.05 3cxh h ARG 100 Cb 0.22 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.30 3cxh h ARG 100 CO 0.03 0.37 0.01 -0.91 0.10 0.00 0.00 179.97 179.57 3cxh h ASN 101 N 0.00 0.12 -0.43 0.08 -0.26 -1.27 0.39 115.58 114.22 3cxh h ASN 101 Ca -0.00 -0.25 -0.05 0.00 -0.56 0.00 0.00 56.30 55.43 3cxh h ASN 101 Cb 0.68 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 37.89 3cxh h ASN 101 CO 0.05 0.34 0.10 0.44 -1.06 0.00 0.00 177.43 177.31 3cxh h ASP 102 N -0.11 0.71 -0.11 5.81 3.32 -0.94 -1.59 116.42 123.51 3cxh h ASP 102 Ca 0.02 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 56.90 3cxh h ASP 102 Cb 0.27 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 3cxh h ASP 102 CO 0.00 0.71 -0.12 0.25 -1.72 0.00 0.00 179.24 178.37 3cxh h LEU 103 N 0.73 0.29 -1.61 1.55 5.85 -1.10 -2.96 115.31 118.07 3cxh h LEU 103 Ca 0.16 -0.49 -0.03 0.00 0.84 0.00 0.00 57.88 58.36 3cxh h LEU 103 Cb 0.30 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3cxh h LEU 103 CO 0.00 0.72 -0.04 0.40 -0.34 0.00 0.00 178.44 179.18 3cxh h ILE 104 N -0.14 1.12 0.38 4.05 2.04 -0.80 0.44 117.51 124.60 3cxh h ILE 104 Ca 0.02 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 3cxh h ILE 104 Cb 0.65 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 3cxh h ILE 104 CO 0.03 0.15 -0.18 0.74 0.00 0.00 0.00 178.15 178.89 3cxh h THR 105 N 0.19 0.64 -0.73 -0.27 2.02 -1.24 0.13 112.91 113.64 3cxh h THR 105 Ca 0.04 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3cxh h THR 105 Cb 0.21 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 3cxh h THR 105 CO 0.01 0.02 0.47 0.22 0.37 0.00 0.00 175.52 176.61 3cxh h TYR 106 N -0.57 0.94 0.00 3.16 3.20 -1.30 -2.95 116.97 119.45 3cxh h TYR 106 Ca -0.05 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.85 3cxh h TYR 106 Cb 0.43 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 3cxh h TYR 106 CO -0.03 0.61 -0.10 0.52 -1.64 0.00 0.00 178.16 177.51 3cxh h MET 107 N 0.99 -0.17 -0.89 1.82 2.86 -0.58 -1.77 114.93 117.19 3cxh h MET 107 Ca 0.27 0.01 0.16 0.00 -2.06 0.00 0.00 59.70 58.08 3cxh h MET 107 Cb -0.08 0.04 -0.07 0.00 0.06 0.00 0.00 31.60 31.54 3cxh h MET 107 CO -0.05 -0.11 0.58 1.15 1.06 0.00 0.00 176.91 179.53 3cxh h THR 108 N -0.18 0.79 0.15 2.22 2.02 -0.58 0.51 112.91 117.85 3cxh h THR 108 Ca 0.04 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 3cxh h THR 108 Cb 0.22 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 3cxh h THR 108 CO -0.10 0.11 -0.07 0.11 0.37 0.00 0.00 175.52 175.94 3cxh h LYS 109 N 0.62 -0.20 0.00 6.66 1.79 -1.30 -3.09 116.57 121.05 3cxh h LYS 109 Ca 0.46 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.94 3cxh h LYS 109 Cb 0.84 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 3cxh h LYS 109 CO -0.21 0.24 0.00 0.00 -1.08 0.00 0.00 179.45 178.41 3cxh h ALA 110 N -0.15 1.00 -0.01 3.86 0.00 -0.95 -3.18 119.26 119.82 3cxh h ALA 110 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3cxh h ALA 110 Cb 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3cxh h ALA 110 CO 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 179.25 179.28 3cxh h ALA 111 N 2.03 0.01 -0.01 0.00 0.00 -0.02 -3.44 119.26 117.84 3cxh h ALA 111 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3cxh h ALA 111 Cb 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3cxh h ALA 111 CO 0.00 -0.26 0.00 0.36 0.00 0.00 0.00 179.25 179.35