#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmw h SER 2 N 0.00 0.54 -0.53 1.61 4.64 -2.13 -3.07 113.55 114.61 2dmw h SER 2 Ca 0.00 -0.14 -0.34 0.00 -0.47 0.00 0.00 61.79 60.84 2dmw h SER 2 Cb 0.00 -0.14 -0.22 0.00 -0.31 0.00 0.00 62.40 61.73 2dmw h SER 2 CO 0.00 0.53 -0.19 -1.54 -0.87 0.00 0.00 176.83 174.76 2dmw n SER 3 N -4.67 3.79 -3.73 4.97 3.41 -1.26 -5.04 113.62 111.09 2dmw n SER 3 Ca 0.00 -3.79 -0.53 0.00 -0.26 0.00 0.00 58.87 54.29 2dmw n SER 3 Cb 0.12 -0.59 -0.10 0.00 -0.26 0.00 0.00 64.21 63.38 2dmw n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmw n GLY 4 N -0.98 -0.09 3.16 5.00 0.00 -1.17 -4.90 105.19 106.21 2dmw n GLY 4 Ca 0.39 0.96 -0.10 0.00 0.00 0.00 0.00 46.02 47.27 2dmw n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmw s SER 5 N 4.84 0.39 0.17 1.61 0.01 -1.26 -5.10 113.70 114.36 2dmw s SER 5 Ca 1.02 -1.20 0.02 0.00 1.31 0.00 0.00 55.95 57.10 2dmw s SER 5 Cb -1.30 0.28 -0.05 0.00 0.21 0.00 0.00 66.02 65.17 2dmw s SER 5 CO 0.59 -0.71 -0.01 -0.44 0.41 0.00 0.00 173.24 173.08 2dmw s SER 6 N -3.06 1.29 -0.34 2.44 0.01 -1.26 -5.09 113.70 107.69 2dmw s SER 6 Ca 0.24 -1.15 0.04 0.00 1.31 0.00 0.00 55.95 56.38 2dmw s SER 6 Cb 0.07 0.10 0.26 0.00 0.21 0.00 0.00 66.02 66.66 2dmw s SER 6 CO 0.02 -0.54 1.28 0.61 0.41 0.00 0.00 173.24 175.01 2dmw n GLY 7 N -0.24 -0.90 2.86 3.44 0.00 -1.26 -5.12 105.19 103.98 2dmw n GLY 7 Ca -0.07 0.48 -0.29 0.00 0.00 0.00 0.00 46.02 46.14 2dmw n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2dmw s MET 8 N 0.07 1.26 -0.28 1.61 0.00 -1.26 -4.78 119.30 115.92 2dmw s MET 8 Ca 0.16 -0.81 -0.26 0.00 0.00 0.00 0.00 55.69 54.78 2dmw s MET 8 Cb 0.24 -2.42 0.17 0.00 0.00 0.00 0.00 34.83 32.82 2dmw s MET 8 CO -0.13 -0.63 1.29 0.00 0.00 0.00 0.00 175.02 175.55 2dmw s ALA 9 N 1.56 -2.12 0.22 3.16 0.00 -1.26 -4.94 121.76 118.38 2dmw s ALA 9 Ca -0.04 1.75 -0.31 0.00 0.00 0.00 0.00 51.96 53.37 2dmw s ALA 9 Cb -0.18 -1.56 -0.15 0.00 0.00 0.00 0.00 23.12 21.23 2dmw s ALA 9 CO -0.07 -0.17 1.19 -0.89 0.00 0.00 0.00 175.76 175.82 2dmw n ILE 10 N 1.52 1.21 0.00 0.00 5.41 -1.26 -4.45 119.36 121.78 2dmw n ILE 10 Ca -0.09 -0.30 0.00 0.00 1.00 0.00 0.00 62.75 63.35 2dmw n ILE 10 Cb 0.57 -1.07 0.00 0.00 -0.71 0.00 0.00 39.64 38.43 2dmw n ILE 10 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2dmw n LEU 11 N 1.82 1.86 -4.38 1.39 4.77 -0.98 -4.94 117.00 116.55 2dmw n LEU 11 Ca 0.12 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.78 2dmw n LEU 11 Cb 0.29 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.23 2dmw n LEU 11 CO 0.61 0.31 -0.48 0.12 -1.33 0.00 0.00 177.39 176.62 2dmw s PHE 12 N -1.73 2.69 -0.30 -1.77 5.36 -1.22 -2.63 117.98 118.39 2dmw s PHE 12 Ca 0.00 -0.52 -0.09 0.00 -0.96 0.00 0.00 56.93 55.36 2dmw s PHE 12 Cb 0.00 -1.72 0.14 0.00 -0.34 0.00 0.00 43.02 41.10 2dmw s PHE 12 CO 0.00 -0.09 0.65 0.00 -1.46 0.00 0.00 175.22 174.31 2dmw s ALA 13 N -0.11 -2.09 0.03 11.12 0.00 -1.26 -1.28 121.76 128.17 2dmw s ALA 13 Ca -0.03 2.27 -0.04 0.00 0.00 0.00 0.00 51.96 54.16 2dmw s ALA 13 Cb -0.14 -1.85 -0.01 0.00 0.00 0.00 0.00 23.12 21.12 2dmw s ALA 13 CO 0.04 -0.99 0.07 0.14 0.00 0.00 0.00 175.76 175.01 2dmw s VAL 14 N 2.89 0.13 -0.26 0.00 -7.23 -1.16 -3.51 120.40 111.26 2dmw s VAL 14 Ca -0.02 -1.05 -0.04 0.00 -1.81 0.00 0.00 61.98 59.06 2dmw s VAL 14 Cb -0.12 -0.75 0.01 0.00 0.56 0.00 0.00 36.38 36.07 2dmw s VAL 14 CO -0.19 -0.58 -0.01 -0.69 -0.31 0.00 0.00 175.10 173.31 2dmw s VAL 15 N -2.31 3.34 -0.05 1.32 1.01 -0.85 -3.47 120.40 119.40 2dmw s VAL 15 Ca -0.08 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.12 2dmw s VAL 15 Cb -0.03 -2.66 0.03 0.00 0.00 0.00 0.00 36.38 33.71 2dmw s VAL 15 CO -0.03 0.22 -0.02 0.00 0.00 0.00 0.00 175.10 175.27 2dmw s ALA 16 N 1.42 0.55 -0.34 5.51 0.00 -1.03 -2.49 121.76 125.38 2dmw s ALA 16 Ca 0.02 0.01 -0.27 0.00 0.00 0.00 0.00 51.96 51.72 2dmw s ALA 16 Cb -0.16 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.50 2dmw s ALA 16 CO -0.02 -0.15 0.99 -0.98 0.00 0.00 0.00 175.76 175.60 2dmw s ARG 17 N 1.23 3.98 1.53 0.00 1.70 0.97 -2.01 118.95 126.35 2dmw s ARG 17 Ca -0.06 0.84 0.00 0.00 -0.47 0.00 0.00 55.73 56.03 2dmw s ARG 17 Cb -0.14 -3.76 0.00 0.00 -0.57 0.00 0.00 34.95 30.49 2dmw s ARG 17 CO -0.02 -0.89 0.00 0.41 -1.08 0.00 0.00 175.30 173.72 2dmw n GLY 18 N 4.10 0.20 1.27 3.88 0.00 -1.25 -0.82 105.19 112.56 2dmw n GLY 18 Ca 0.09 0.73 0.05 0.00 0.00 0.00 0.00 46.02 46.89 2dmw n GLY 18 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dmw n THR 19 N 0.00 0.57 -4.00 2.61 -2.24 -1.26 -4.22 114.28 105.73 2dmw n THR 19 Ca 0.00 -1.57 -0.23 0.00 -2.27 0.00 0.00 64.05 59.98 2dmw n THR 19 Cb 0.00 0.68 -0.17 0.00 -2.10 0.00 0.00 70.33 68.74 2dmw n THR 19 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2dmw s THR 20 N -0.83 0.65 -0.38 4.28 2.01 -0.00 -5.02 115.64 116.35 2dmw s THR 20 Ca 0.35 -0.11 -0.19 0.00 0.31 0.00 0.00 61.69 62.05 2dmw s THR 20 Cb 0.38 -0.71 0.01 0.00 0.01 0.00 0.00 72.50 72.20 2dmw s THR 20 CO -0.14 0.28 0.56 -0.63 -0.69 0.00 0.00 174.62 174.00 2dmw s ILE 21 N 1.45 4.95 -0.12 1.82 1.01 -1.26 -0.02 121.20 129.03 2dmw s ILE 21 Ca -0.02 0.25 -0.06 0.00 0.00 0.00 0.00 60.65 60.82 2dmw s ILE 21 Cb -0.13 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 2dmw s ILE 21 CO -0.03 -0.35 -0.01 -0.07 0.00 0.00 0.00 174.94 174.47 2dmw h LEU 22 N 9.29 0.00 -7.72 2.97 3.38 -1.87 -3.34 115.31 118.02 2dmw h LEU 22 Ca -0.27 -0.08 -0.50 0.00 0.09 0.00 0.00 57.88 57.13 2dmw h LEU 22 Cb 1.11 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.50 2dmw h LEU 22 CO 0.82 0.67 -0.79 0.00 0.09 0.00 0.00 178.44 179.22 2dmw s ALA 23 N -2.59 1.13 -0.02 1.53 0.00 -1.21 -3.27 121.76 117.33 2dmw s ALA 23 Ca -0.08 -0.39 0.04 0.00 0.00 0.00 0.00 51.96 51.53 2dmw s ALA 23 Cb 0.01 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.36 2dmw s ALA 23 CO 0.15 -0.28 -0.15 -1.59 0.00 0.00 0.00 175.76 173.88 2dmw s LYS 24 N 1.48 1.36 -0.28 0.00 -2.85 -1.26 -2.00 119.74 116.18 2dmw s LYS 24 Ca -0.00 -0.55 -0.01 0.00 -1.00 0.00 0.00 55.97 54.41 2dmw s LYS 24 Cb -0.13 -1.27 0.17 0.00 -2.06 0.00 0.00 37.83 34.54 2dmw s LYS 24 CO -0.05 0.29 0.52 -1.58 0.10 0.00 0.00 175.35 174.64 2dmw s HIS 25 N -0.22 -1.34 0.25 1.78 2.46 -1.23 -4.83 115.29 112.16 2dmw s HIS 25 Ca 0.03 1.35 0.04 0.00 0.47 0.00 0.00 55.06 56.95 2dmw s HIS 25 Cb -0.08 0.35 -0.05 0.00 -0.13 0.00 0.00 32.58 32.67 2dmw s HIS 25 CO 0.00 -0.84 -0.01 0.00 -2.47 0.00 0.00 174.74 171.42 2dmw s ALA 26 N 2.74 1.96 0.53 1.58 0.00 -1.26 -4.09 121.76 123.23 2dmw s ALA 26 Ca 0.17 -1.82 -0.18 0.00 0.00 0.00 0.00 51.96 50.13 2dmw s ALA 26 Cb -0.15 0.45 -0.06 0.00 0.00 0.00 0.00 23.12 23.36 2dmw s ALA 26 CO -0.20 -0.22 1.05 -1.58 0.00 0.00 0.00 175.76 174.81 2dmw s TRP 27 N -3.33 2.99 -0.60 0.00 0.52 -1.08 -4.96 118.94 112.48 2dmw s TRP 27 Ca 0.29 1.55 -0.27 0.00 0.02 0.00 0.00 56.10 57.69 2dmw s TRP 27 Cb 0.06 -3.05 0.01 0.00 -1.15 0.00 0.00 33.47 29.34 2dmw s TRP 27 CO 0.10 -0.96 1.52 0.00 0.02 0.00 0.00 176.95 177.63 2dmw n GLY 29 N 5.40 -0.47 0.00 0.00 0.00 -1.26 -5.17 105.19 103.69 2dmw n GLY 29 Ca 0.13 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2dmw n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dmw n GLY 30 N 0.73 3.72 3.12 -0.02 0.00 -1.26 -5.12 105.19 106.35 2dmw n GLY 30 Ca 0.00 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 2dmw n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmw s ASN 31 N 1.84 5.15 -0.20 1.61 4.22 -1.26 -4.91 114.94 121.39 2dmw s ASN 31 Ca 0.00 -1.94 -0.03 0.00 -2.14 0.00 0.00 52.86 48.75 2dmw s ASN 31 Cb 0.00 -1.79 -0.11 0.00 1.28 0.00 0.00 41.25 40.63 2dmw s ASN 31 CO 0.00 -0.48 -0.21 0.49 -2.04 0.00 0.00 177.10 174.86 2dmw n PHE 32 N 4.55 0.00 -0.47 1.54 3.72 -1.26 -4.50 117.46 121.05 2dmw n PHE 32 Ca -0.03 0.00 0.37 0.00 -0.05 0.00 0.00 57.45 57.74 2dmw n PHE 32 Cb 0.42 -0.75 0.60 0.00 -0.94 0.00 0.00 39.48 38.81 2dmw n PHE 32 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 2dmw n LEU 33 N -3.42 0.09 0.10 4.37 7.94 -1.26 -0.42 117.00 124.40 2dmw n LEU 33 Ca -0.37 0.98 -0.04 0.00 -1.11 0.00 0.00 56.01 55.46 2dmw n LEU 33 Cb 0.84 -0.48 -0.02 0.00 0.53 0.00 0.00 43.42 44.28 2dmw n LEU 33 CO 0.12 -1.03 0.51 -0.08 -1.11 0.00 0.00 177.39 175.80 2dmw h GLU 34 N 0.00 -0.26 -0.70 1.96 4.81 -2.00 0.04 114.58 118.44 2dmw h GLU 34 Ca 0.73 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 60.07 2dmw h GLU 34 Cb 2.63 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 31.99 2dmw h GLU 34 CO -0.21 -0.17 0.35 -0.24 -0.73 0.00 0.00 179.01 178.00 2dmw h VAL 35 N -0.26 0.86 0.37 0.32 3.04 -1.01 -2.18 116.25 117.38 2dmw h VAL 35 Ca -0.03 -0.21 -0.01 0.00 -1.01 0.00 0.00 66.70 65.45 2dmw h VAL 35 Cb 0.21 0.21 -0.03 0.00 -2.01 0.00 0.00 31.29 29.67 2dmw h VAL 35 CO 0.03 0.11 -0.49 0.74 -1.01 0.00 0.00 177.57 176.95 2dmw h THR 36 N 0.60 0.00 -0.77 3.17 2.02 -1.26 -1.83 112.91 114.84 2dmw h THR 36 Ca 0.34 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.69 2dmw h THR 36 Cb 0.35 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.65 2dmw h THR 36 CO -0.26 0.00 0.24 -0.33 0.37 0.00 0.00 175.52 175.54 2dmw h GLU 37 N -0.89 0.31 -0.64 6.66 5.08 -0.72 0.60 114.58 124.98 2dmw h GLU 37 Ca -0.04 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.39 2dmw h GLU 37 Cb 0.80 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.91 2dmw h GLU 37 CO -0.13 0.21 0.26 1.96 -1.00 0.00 0.00 179.01 180.31 2dmw h GLN 38 N 0.32 0.44 -0.46 2.33 1.08 -0.87 -1.65 115.11 116.30 2dmw h GLN 38 Ca 0.44 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.50 2dmw h GLN 38 Cb 0.76 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.08 2dmw h GLN 38 CO -0.50 0.29 -0.17 0.82 -0.95 0.00 0.00 178.83 178.32 2dmw h ILE 39 N 0.46 1.27 -0.45 2.54 1.08 -0.14 -3.15 117.51 119.12 2dmw h ILE 39 Ca 0.32 -1.32 0.08 0.00 -0.39 0.00 0.00 64.86 63.55 2dmw h ILE 39 Cb 0.38 1.16 -0.07 0.00 -3.07 0.00 0.00 36.82 35.22 2dmw h ILE 39 CO -0.30 0.45 -0.00 -0.07 -0.69 0.00 0.00 178.15 177.54 2dmw h LEU 40 N 0.76 -0.19 -0.60 1.44 3.38 -0.20 0.47 115.31 120.38 2dmw h LEU 40 Ca 0.11 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2dmw h LEU 40 Cb 0.74 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2dmw h LEU 40 CO 0.06 -0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.53 2dmw n ALA 41 N -2.62 1.01 -0.08 1.53 0.00 -0.79 -1.19 120.51 118.37 2dmw n ALA 41 Ca 0.04 0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.49 2dmw n ALA 41 Cb 0.24 -1.13 -0.14 0.00 0.00 0.00 0.00 19.45 18.43 2dmw n ALA 41 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2dmw n LYS 42 N -1.81 1.18 -2.51 0.00 5.02 0.14 -4.95 118.16 115.23 2dmw n LYS 42 Ca -0.01 -0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.85 2dmw n LYS 42 Cb 0.02 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.56 2dmw n LYS 42 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2dmw s ILE 43 N -2.45 4.33 0.83 -0.18 1.01 0.51 -5.03 121.20 120.22 2dmw s ILE 43 Ca -0.08 1.67 -0.11 0.00 0.00 0.00 0.00 60.65 62.12 2dmw s ILE 43 Cb 0.05 -4.07 0.09 0.00 0.01 0.00 0.00 42.46 38.54 2dmw s ILE 43 CO 0.70 0.08 1.09 -2.16 0.00 0.00 0.00 174.94 174.66 2dmw s PRO 44 N 1.45 1.82 0.29 2.79 0.04 -1.26 -4.86 135.00 135.27 2dmw s PRO 44 Ca 0.56 1.02 0.19 0.00 0.04 0.00 0.00 61.00 62.81 2dmw s PRO 44 Cb -0.25 -1.86 0.12 0.00 0.04 0.00 0.00 34.50 32.55 2dmw s PRO 44 CO 0.26 -1.91 1.36 1.03 0.04 0.00 0.00 177.00 177.78 2dmw h SER 45 N -1.31 0.00 -2.68 6.66 0.87 -1.95 -3.47 113.55 111.67 2dmw h SER 45 Ca -0.46 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 59.60 2dmw h SER 45 Cb 1.25 0.00 0.23 0.00 -0.44 0.00 0.00 62.40 63.44 2dmw h SER 45 CO 0.53 0.26 -1.00 -0.62 -0.53 0.00 0.00 176.83 175.47 2dmw n GLU 46 N -3.05 -0.89 -2.80 2.24 1.02 -1.26 -3.51 120.64 112.38 2dmw n GLU 46 Ca 0.01 -0.23 -0.43 0.00 -0.02 0.00 0.00 57.16 56.49 2dmw n GLU 46 Cb 0.65 -1.69 -0.03 0.00 -0.02 0.00 0.00 31.44 30.35 2dmw n GLU 46 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2dmw s ASN 47 N -1.82 6.42 0.25 1.62 2.20 -1.26 -4.40 114.94 117.95 2dmw s ASN 47 Ca 0.54 -1.47 -0.15 0.00 -0.94 0.00 0.00 52.86 50.84 2dmw s ASN 47 Cb -0.15 -2.45 0.01 0.00 -2.00 0.00 0.00 41.25 36.66 2dmw s ASN 47 CO 0.68 -1.33 0.54 0.54 -2.94 0.00 0.00 177.10 174.59 2dmw s ASN 48 N 3.92 -0.15 0.03 3.54 4.22 -1.19 -4.97 114.94 120.33 2dmw s ASN 48 Ca 0.32 -0.79 -0.01 0.00 -2.14 0.00 0.00 52.86 50.24 2dmw s ASN 48 Cb -0.08 0.62 -0.02 0.00 1.28 0.00 0.00 41.25 43.05 2dmw s ASN 48 CO -0.01 -1.18 -0.02 -1.59 -2.04 0.00 0.00 177.10 172.26 2dmw s LYS 49 N -3.97 0.39 -0.23 3.55 -2.85 -1.26 -1.45 119.74 113.91 2dmw s LYS 49 Ca 0.18 -0.73 -0.24 0.00 -1.00 0.00 0.00 55.97 54.17 2dmw s LYS 49 Cb -0.02 0.14 0.07 0.00 -2.06 0.00 0.00 37.83 35.95 2dmw s LYS 49 CO 0.07 -0.07 0.68 -1.17 0.10 0.00 0.00 175.35 174.96 2dmw s LEU 50 N -1.78 -0.59 -0.53 2.77 0.20 -1.24 -5.07 118.68 112.45 2dmw s LEU 50 Ca -0.11 1.27 -0.25 0.00 0.69 0.00 0.00 54.13 55.73 2dmw s LEU 50 Cb -0.06 2.35 0.04 0.00 -0.43 0.00 0.00 46.19 48.08 2dmw s LEU 50 CO -0.03 -0.29 0.96 -0.89 -0.29 0.00 0.00 176.35 175.82 2dmw s THR 51 N 0.14 4.37 -0.21 3.68 2.01 -1.26 -4.03 115.64 120.34 2dmw s THR 51 Ca -0.02 0.49 -0.08 0.00 0.31 0.00 0.00 61.69 62.39 2dmw s THR 51 Cb -0.04 -4.53 -0.04 0.00 0.01 0.00 0.00 72.50 67.90 2dmw s THR 51 CO 0.02 -1.06 0.10 -0.47 -0.69 0.00 0.00 174.62 172.52 2dmw s TYR 52 N 4.00 3.24 -0.35 4.92 6.14 -0.74 -5.01 117.35 129.56 2dmw s TYR 52 Ca 0.34 0.03 -0.09 0.00 0.64 0.00 0.00 57.07 57.99 2dmw s TYR 52 Cb -0.11 -2.17 0.03 0.00 0.42 0.00 0.00 41.96 40.12 2dmw s TYR 52 CO 0.22 0.03 0.15 -1.54 0.64 0.00 0.00 175.55 175.05 2dmw s SER 53 N 0.84 5.50 -0.21 4.32 1.04 -1.26 0.03 113.70 123.96 2dmw s SER 53 Ca 0.05 -0.95 0.02 0.00 0.48 0.00 0.00 55.95 55.55 2dmw s SER 53 Cb -0.13 -1.95 0.03 0.00 0.10 0.00 0.00 66.02 64.07 2dmw s SER 53 CO 0.02 -0.32 -0.17 -2.28 0.98 0.00 0.00 173.24 171.47 2dmw s HIS 54 N 1.51 2.93 0.00 5.02 2.46 -1.15 -4.99 115.29 121.06 2dmw s HIS 54 Ca 0.01 -1.86 0.00 0.00 0.47 0.00 0.00 55.06 53.68 2dmw s HIS 54 Cb -0.19 -1.92 0.00 0.00 -0.13 0.00 0.00 32.58 30.35 2dmw s HIS 54 CO 0.05 -0.83 0.00 0.41 -2.47 0.00 0.00 174.74 171.90 2dmw n GLY 55 N 4.56 1.04 1.85 1.59 0.00 -1.26 -2.62 105.19 110.36 2dmw n GLY 55 Ca -0.19 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.12 2dmw n GLY 55 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2dmw n ASN 56 N -3.03 5.89 -3.88 1.61 5.15 -1.26 -4.83 115.26 114.91 2dmw n ASN 56 Ca 0.00 -2.77 -0.09 0.00 -0.60 0.00 0.00 54.58 51.12 2dmw n ASN 56 Cb 0.00 -1.16 -0.05 0.00 -0.53 0.00 0.00 39.78 38.04 2dmw n ASN 56 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2dmw s TYR 57 N -0.73 0.16 -0.06 1.20 1.51 -1.08 -4.48 117.35 113.88 2dmw s TYR 57 Ca 0.30 -0.52 0.01 0.00 -1.01 0.00 0.00 57.07 55.85 2dmw s TYR 57 Cb 0.19 0.22 -0.03 0.00 -0.11 0.00 0.00 41.96 42.23 2dmw s TYR 57 CO -0.03 -0.90 -0.07 -0.51 -1.11 0.00 0.00 175.55 172.93 2dmw s LEU 58 N -2.94 3.15 -0.38 -1.29 1.43 -1.19 -2.93 118.68 114.53 2dmw s LEU 58 Ca 0.15 -0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.25 2dmw s LEU 58 Cb 0.00 -1.70 0.11 0.00 0.03 0.00 0.00 46.19 44.62 2dmw s LEU 58 CO 0.02 0.35 0.10 -0.36 0.23 0.00 0.00 176.35 176.69 2dmw s PHE 59 N -0.84 3.59 -0.36 0.29 0.40 0.10 -3.32 117.98 117.86 2dmw s PHE 59 Ca 0.13 -3.02 -0.13 0.00 -0.60 0.00 0.00 56.93 53.31 2dmw s PHE 59 Cb -0.11 -2.88 0.00 0.00 0.51 0.00 0.00 43.02 40.54 2dmw s PHE 59 CO 0.02 -0.90 0.24 -1.01 0.70 0.00 0.00 175.22 174.27 2dmw s HIS 60 N 0.65 3.23 -0.08 0.36 3.76 -1.23 -1.78 115.29 120.19 2dmw s HIS 60 Ca 0.12 -0.47 0.03 0.00 -0.15 0.00 0.00 55.06 54.60 2dmw s HIS 60 Cb -0.21 -2.48 -0.02 0.00 1.11 0.00 0.00 32.58 30.99 2dmw s HIS 60 CO -0.07 -0.47 -0.19 1.52 -0.85 0.00 0.00 174.74 174.68 2dmw s TYR 61 N 1.67 2.63 -0.44 1.40 -0.85 -1.26 -3.36 117.35 117.14 2dmw s TYR 61 Ca 0.05 -0.57 0.03 0.00 -0.52 0.00 0.00 57.07 56.06 2dmw s TYR 61 Cb -0.18 -1.69 0.12 0.00 0.38 0.00 0.00 41.96 40.59 2dmw s TYR 61 CO 0.09 -0.12 0.19 0.42 -1.52 0.00 0.00 175.55 174.61 2dmw s ILE 62 N -0.13 2.13 0.28 -3.49 1.01 -1.11 -3.67 121.20 116.24 2dmw s ILE 62 Ca -0.03 -2.78 -0.29 0.00 0.00 0.00 0.00 60.65 57.55 2dmw s ILE 62 Cb -0.14 -2.52 -0.10 0.00 0.01 0.00 0.00 42.46 39.72 2dmw s ILE 62 CO 0.04 -0.76 1.18 0.00 0.00 0.00 0.00 174.94 175.40 2dmw s GLN 64 N -1.35 0.26 -1.23 0.00 2.00 -0.14 -3.19 119.66 116.00 2dmw s GLN 64 Ca 0.47 0.49 -0.03 0.00 -2.00 0.00 0.00 55.36 54.30 2dmw s GLN 64 Cb -0.35 0.14 0.00 0.00 0.80 0.00 0.00 33.01 33.60 2dmw s GLN 64 CO 0.44 -0.06 0.38 -3.47 -0.50 0.00 0.00 175.29 172.08 2dmw n ASP 65 N 3.91 -5.03 -1.27 6.67 2.03 -1.26 -1.89 116.55 119.70 2dmw n ASP 65 Ca -0.15 -0.18 -0.13 0.00 0.52 0.00 0.00 54.79 54.85 2dmw n ASP 65 Cb 0.56 -3.93 -0.02 0.00 -0.72 0.00 0.00 41.12 37.00 2dmw n ASP 65 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2dmw n ARG 66 N -3.14 -0.97 -4.67 -0.67 5.12 -1.23 -5.00 116.66 106.10 2dmw n ARG 66 Ca -0.11 0.74 -0.25 0.00 -1.93 0.00 0.00 57.85 56.30 2dmw n ARG 66 Cb 0.60 -4.88 -0.16 0.00 -1.16 0.00 0.00 32.46 26.85 2dmw n ARG 66 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2dmw s ILE 67 N -2.57 1.24 -0.17 0.55 -1.09 -0.79 -3.88 121.20 114.49 2dmw s ILE 67 Ca 0.00 -0.56 -0.06 0.00 -2.23 0.00 0.00 60.65 57.80 2dmw s ILE 67 Cb 0.00 -1.11 -0.03 0.00 -1.58 0.00 0.00 42.46 39.73 2dmw s ILE 67 CO 0.00 0.38 0.02 -0.69 -1.23 0.00 0.00 174.94 173.42 2dmw s VAL 68 N 0.49 4.38 -0.44 2.92 1.01 -0.85 -0.96 120.40 126.95 2dmw s VAL 68 Ca -0.12 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 61.68 2dmw s VAL 68 Cb -0.15 -2.96 0.12 0.00 0.00 0.00 0.00 36.38 33.39 2dmw s VAL 68 CO 0.04 0.47 0.21 -0.31 0.00 0.00 0.00 175.10 175.51 2dmw s TYR 69 N 0.42 3.55 0.01 5.22 1.51 -1.24 -2.46 117.35 124.37 2dmw s TYR 69 Ca 0.00 -2.74 -0.02 0.00 -1.01 0.00 0.00 57.07 53.30 2dmw s TYR 69 Cb -0.13 -3.09 -0.04 0.00 -0.11 0.00 0.00 41.96 38.59 2dmw s TYR 69 CO 0.01 -0.91 0.20 -1.17 -1.11 0.00 0.00 175.55 172.57 2dmw s LEU 70 N 0.67 4.37 -0.17 -1.29 0.20 -1.23 -2.73 118.68 118.49 2dmw s LEU 70 Ca 0.12 0.34 -0.15 0.00 0.69 0.00 0.00 54.13 55.13 2dmw s LEU 70 Cb -0.22 -2.73 0.05 0.00 -0.43 0.00 0.00 46.19 42.86 2dmw s LEU 70 CO -0.05 0.23 0.46 0.00 -0.29 0.00 0.00 176.35 176.70 2dmw s ILE 72 N 0.44 5.22 0.37 0.00 1.01 -0.40 -3.52 121.20 124.32 2dmw s ILE 72 Ca -0.02 0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.80 2dmw s ILE 72 Cb -0.04 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 2dmw s ILE 72 CO -0.02 0.33 0.10 0.42 0.00 0.00 0.00 174.94 175.77 2dmw s THR 73 N 1.22 0.80 0.32 2.92 -4.23 -1.21 -2.31 115.64 113.15 2dmw s THR 73 Ca 0.07 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.30 2dmw s THR 73 Cb -0.14 -2.51 -0.09 0.00 1.34 0.00 0.00 72.50 71.10 2dmw s THR 73 CO 0.06 0.00 1.08 -0.62 -0.54 0.00 0.00 174.62 174.60 2dmw s ASP 74 N -3.55 7.10 0.14 3.99 2.15 -1.26 -3.14 116.67 122.09 2dmw s ASP 74 Ca 0.28 2.20 -0.30 0.00 0.43 0.00 0.00 52.55 55.16 2dmw s ASP 74 Cb 0.05 -2.61 -0.06 0.00 -0.30 0.00 0.00 42.92 40.00 2dmw s ASP 74 CO 0.14 -0.26 1.57 0.44 -0.17 0.00 0.00 175.17 176.89 2dmw h ASP 75 N 3.39 -1.53 -0.96 -0.34 3.32 -1.92 -0.03 116.42 118.37 2dmw h ASP 75 Ca -0.47 0.21 0.17 0.00 0.02 0.00 0.00 57.03 56.96 2dmw h ASP 75 Cb 1.21 0.63 -0.10 0.00 0.22 0.00 0.00 39.33 41.29 2dmw h ASP 75 CO 0.65 -0.42 0.55 -0.78 -1.72 0.00 0.00 179.24 177.53 2dmw h ASP 76 N -0.44 0.70 -0.95 6.45 1.82 -1.95 -3.43 116.42 118.63 2dmw h ASP 76 Ca 0.09 0.10 -0.68 0.00 -0.39 0.00 0.00 57.03 56.15 2dmw h ASP 76 Cb 0.62 -0.03 0.08 0.00 0.68 0.00 0.00 39.33 40.69 2dmw h ASP 76 CO -0.50 0.26 -0.30 0.33 -1.61 0.00 0.00 179.24 177.42 2dmw n PHE 77 N -4.80 -0.09 -1.61 0.28 7.35 -0.03 -4.90 117.46 113.67 2dmw n PHE 77 Ca 0.21 0.95 -0.31 0.00 -0.76 0.00 0.00 57.45 57.54 2dmw n PHE 77 Cb 0.52 -1.90 0.05 0.00 0.35 0.00 0.00 39.48 38.49 2dmw n PHE 77 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 2dmw s GLU 78 N -0.61 2.99 0.04 -4.13 2.12 -1.26 -4.92 118.70 112.92 2dmw s GLU 78 Ca 0.70 0.91 -0.16 0.00 0.36 0.00 0.00 54.97 56.77 2dmw s GLU 78 Cb -1.00 -2.00 -0.25 0.00 0.26 0.00 0.00 34.13 31.14 2dmw s GLU 78 CO 0.53 -1.05 1.12 0.00 -0.54 0.00 0.00 175.26 175.33 2dmw h ARG 79 N -0.68 0.57 -0.29 4.30 3.08 -1.95 -3.10 114.38 116.32 2dmw h ARG 79 Ca -0.44 -0.67 0.07 0.00 0.07 0.00 0.00 59.98 59.01 2dmw h ARG 79 Cb 1.21 0.20 -0.08 0.00 0.08 0.00 0.00 29.97 31.39 2dmw h ARG 79 CO 0.58 1.27 -0.25 0.77 -1.07 0.00 0.00 179.97 181.27 2dmw h SER 80 N 0.17 -0.80 0.60 7.04 0.02 -1.98 0.21 113.55 118.80 2dmw h SER 80 Ca -0.13 0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 2dmw h SER 80 Cb 1.64 0.39 -0.00 0.00 0.14 0.00 0.00 62.40 64.56 2dmw h SER 80 CO 0.19 -0.28 -0.36 0.03 -1.14 0.00 0.00 176.83 175.27 2dmw h ARG 81 N -0.23 -0.87 -0.02 3.45 -0.00 -1.98 0.64 114.38 115.38 2dmw h ARG 81 Ca 0.15 0.06 0.02 0.00 -0.50 0.00 0.00 59.98 59.72 2dmw h ARG 81 Cb 0.47 0.20 -0.06 0.00 0.00 0.00 0.00 29.97 30.58 2dmw h ARG 81 CO -0.43 -0.58 -0.52 0.00 0.00 0.00 0.00 179.97 178.44 2dmw h ALA 82 N -0.57 -0.89 -1.00 0.04 0.00 -1.39 -0.99 119.26 114.46 2dmw h ALA 82 Ca -0.07 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 54.90 2dmw h ALA 82 Cb 0.73 0.93 -0.09 0.00 0.00 0.00 0.00 17.79 19.36 2dmw h ALA 82 CO 0.08 -1.08 0.63 0.74 0.00 0.00 0.00 179.25 179.61 2dmw h PHE 83 N -0.65 1.11 0.29 0.00 0.04 -0.56 -2.23 116.94 114.94 2dmw h PHE 83 Ca 0.02 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.83 2dmw h PHE 83 Cb 0.71 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 38.48 2dmw h PHE 83 CO -0.51 0.39 -0.40 -0.97 -0.60 0.00 0.00 178.31 176.22 2dmw h ASN 84 N 0.92 -1.12 -0.19 2.17 -1.24 0.41 -0.01 115.58 116.52 2dmw h ASN 84 Ca 0.52 0.11 0.05 0.00 0.71 0.00 0.00 56.30 57.69 2dmw h ASN 84 Cb 0.60 0.40 -0.06 0.00 0.73 0.00 0.00 38.32 39.99 2dmw h ASN 84 CO -0.29 -0.52 -0.19 0.15 -1.29 0.00 0.00 177.43 175.29 2dmw h PHE 85 N -0.75 -0.50 -0.61 0.67 3.04 -0.77 -1.03 116.94 116.99 2dmw h PHE 85 Ca -0.01 0.03 0.11 0.00 3.98 0.00 0.00 57.97 62.08 2dmw h PHE 85 Cb 0.70 0.25 -0.08 0.00 2.56 0.00 0.00 35.95 39.38 2dmw h PHE 85 CO -0.27 -0.27 0.17 -0.07 -2.02 0.00 0.00 178.31 175.85 2dmw h LEU 86 N -0.22 0.10 -0.85 0.59 3.38 -1.17 -0.73 115.31 116.41 2dmw h LEU 86 Ca 0.12 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.21 2dmw h LEU 86 Cb 0.39 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 2dmw h LEU 86 CO -0.32 0.06 0.56 -1.13 0.09 0.00 0.00 178.44 177.70 2dmw h ASN 87 N 0.32 0.95 0.13 -0.43 -0.73 -0.18 0.42 115.58 116.05 2dmw h ASN 87 Ca 0.32 -0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.47 2dmw h ASN 87 Cb 0.45 -0.23 -0.00 0.00 0.27 0.00 0.00 38.32 38.81 2dmw h ASN 87 CO -0.37 0.67 -0.08 -0.33 -0.37 0.00 0.00 177.43 176.95 2dmw h GLU 88 N 1.11 -0.19 -0.85 6.67 4.39 0.11 -1.06 114.58 124.77 2dmw h GLU 88 Ca 0.33 0.01 0.05 0.00 0.34 0.00 0.00 59.36 60.09 2dmw h GLU 88 Cb -0.07 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.57 2dmw h GLU 88 CO -0.09 -0.12 0.55 -0.84 -1.16 0.00 0.00 179.01 177.35 2dmw h ILE 89 N -0.19 1.08 0.24 3.13 3.07 -1.39 -1.82 117.51 121.64 2dmw h ILE 89 Ca -0.02 -0.34 -0.00 0.00 1.55 0.00 0.00 64.86 66.05 2dmw h ILE 89 Cb 0.16 0.01 -0.02 0.00 -0.27 0.00 0.00 36.82 36.70 2dmw h ILE 89 CO 0.02 0.18 -0.34 0.50 -1.05 0.00 0.00 178.15 177.45 2dmw h LYS 90 N 0.98 -0.59 -0.22 0.16 3.64 -0.07 0.22 116.57 120.70 2dmw h LYS 90 Ca 0.36 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.84 2dmw h LYS 90 Cb 0.15 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2dmw h LYS 90 CO -0.12 -0.39 0.16 0.87 -2.27 0.00 0.00 179.45 177.70 2dmw h LYS 91 N -0.61 0.00 -0.24 1.90 1.79 -1.03 -1.69 116.57 116.68 2dmw h LYS 91 Ca -0.03 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.38 2dmw h LYS 91 Cb 0.56 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.20 2dmw h LYS 91 CO -0.10 0.00 -0.11 0.00 -1.08 0.00 0.00 179.45 178.17 2dmw h ARG 92 N 0.00 0.50 0.59 3.15 3.08 -0.44 -0.46 114.38 120.80 2dmw h ARG 92 Ca 0.10 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 2dmw h ARG 92 Cb 0.43 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.47 2dmw h ARG 92 CO -0.00 0.76 -0.28 0.35 -1.07 0.00 0.00 179.97 179.72 2dmw h PHE 93 N 0.22 -0.74 0.00 3.04 3.57 0.32 0.97 116.94 124.31 2dmw h PHE 93 Ca 0.06 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2dmw h PHE 93 Cb 0.60 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.58 2dmw h PHE 93 CO 0.06 -0.43 -0.05 -0.56 -2.23 0.00 0.00 178.31 175.10 2dmw h GLN 94 N -0.88 0.00 0.00 1.11 3.07 -1.50 1.04 115.11 117.96 2dmw h GLN 94 Ca -0.08 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.53 2dmw h GLN 94 Cb 0.64 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.18 2dmw h GLN 94 CO 0.13 0.05 -0.92 1.15 0.09 0.00 0.00 178.83 179.34 2dmw h THR 95 N 0.00 0.68 0.00 1.86 2.02 -0.76 -2.91 112.91 113.80 2dmw h THR 95 Ca -0.00 -2.08 0.00 0.00 0.77 0.00 0.00 66.41 65.10 2dmw h THR 95 Cb 0.10 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 2dmw h THR 95 CO 0.01 0.39 -0.17 0.41 0.37 0.00 0.00 175.52 176.52 2dmw n THR 96 N -3.06 0.29 -1.64 3.16 -1.04 0.33 -4.72 114.28 107.60 2dmw n THR 96 Ca -0.03 0.43 -0.17 0.00 -2.04 0.00 0.00 64.05 62.24 2dmw n THR 96 Cb 0.77 -1.67 0.11 0.00 -1.82 0.00 0.00 70.33 67.73 2dmw n THR 96 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2dmw n TYR 97 N -2.84 2.09 0.20 -1.42 4.01 0.32 -4.78 117.16 114.74 2dmw n TYR 97 Ca -0.02 -2.11 -0.08 0.00 -0.16 0.00 0.00 57.90 55.52 2dmw n TYR 97 Cb 0.09 -0.63 -0.04 0.00 -0.31 0.00 0.00 39.34 38.45 2dmw n TYR 97 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2dmw h GLY 98 N 1.61 -0.57 -0.54 2.72 0.00 -0.14 -2.51 103.07 103.64 2dmw h GLY 98 Ca 0.35 0.21 0.06 0.00 0.00 0.00 0.00 47.33 47.95 2dmw h GLY 98 CO 0.76 -0.21 -0.51 0.23 0.00 0.00 0.00 176.54 176.81 2dmw h SER 99 N -0.85 -1.76 -1.00 0.19 0.87 -1.87 0.32 113.55 109.45 2dmw h SER 99 Ca -0.06 0.24 0.23 0.00 -1.23 0.00 0.00 61.79 60.98 2dmw h SER 99 Cb 0.42 0.74 -0.10 0.00 -0.44 0.00 0.00 62.40 63.02 2dmw h SER 99 CO 0.09 -0.31 0.63 0.03 -0.53 0.00 0.00 176.83 176.74 2dmw h ARG 100 N -0.24 0.53 -0.49 2.24 3.08 -1.89 0.29 114.38 117.91 2dmw h ARG 100 Ca 0.09 -0.03 0.14 0.00 0.07 0.00 0.00 59.98 60.25 2dmw h ARG 100 Cb 0.48 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 2dmw h ARG 100 CO -0.64 0.35 0.67 0.00 -1.07 0.00 0.00 179.97 179.28 2dmw h ALA 101 N 1.65 2.21 0.00 0.04 0.00 0.11 1.45 119.26 124.73 2dmw h ALA 101 Ca 0.58 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.32 2dmw h ALA 101 Cb 1.21 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2dmw h ALA 101 CO -0.34 -0.92 -2.02 1.04 0.00 0.00 0.00 179.25 177.01 2dmw n GLN 102 N -3.38 0.83 -1.68 0.00 1.13 0.98 -4.49 117.38 110.76 2dmw n GLN 102 Ca 0.10 -0.10 -0.17 0.00 -1.94 0.00 0.00 57.00 54.89 2dmw n GLN 102 Cb 0.85 -1.45 0.07 0.00 0.11 0.00 0.00 30.24 29.81 2dmw n GLN 102 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2dmw n THR 103 N -2.39 2.44 -3.90 5.09 -2.24 0.15 -5.02 114.28 108.42 2dmw n THR 103 Ca -0.15 -3.97 -0.11 0.00 -2.27 0.00 0.00 64.05 57.55 2dmw n THR 103 Cb 0.76 -0.90 -0.12 0.00 -2.10 0.00 0.00 70.33 67.97 2dmw n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dmw s ALA 104 N -3.51 -0.09 1.01 6.98 0.00 0.45 -4.84 121.76 121.77 2dmw s ALA 104 Ca 0.48 -0.13 -0.13 0.00 0.00 0.00 0.00 51.96 52.18 2dmw s ALA 104 Cb 0.40 0.02 0.20 0.00 0.00 0.00 0.00 23.12 23.74 2dmw s ALA 104 CO 0.01 -0.10 1.09 -1.25 0.00 0.00 0.00 175.76 175.52 2dmw s PRO 105 N -0.68 0.31 0.26 0.00 0.04 -1.26 -4.86 135.00 128.81 2dmw s PRO 105 Ca -0.08 0.48 -0.29 0.00 0.04 0.00 0.00 61.00 61.15 2dmw s PRO 105 Cb -0.05 -1.73 -0.09 0.00 0.04 0.00 0.00 34.50 32.67 2dmw s PRO 105 CO -0.00 -2.81 1.26 -1.25 0.04 0.00 0.00 177.00 174.25 2dmw s PRO 106 N -4.97 4.43 -0.94 0.56 0.04 -1.26 -3.41 135.00 129.45 2dmw s PRO 106 Ca 0.66 2.05 -0.03 0.00 0.04 0.00 0.00 61.00 63.72 2dmw s PRO 106 Cb -0.19 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.21 2dmw s PRO 106 CO 0.58 -0.13 0.81 0.66 0.04 0.00 0.00 177.00 178.96 2dmw n TYR 107 N 1.69 -1.87 -0.13 0.56 4.01 -1.20 -4.96 117.16 115.25 2dmw n TYR 107 Ca 0.02 0.72 -0.26 0.00 -0.16 0.00 0.00 57.90 58.23 2dmw n TYR 107 Cb 0.43 -4.15 -0.10 0.00 -0.31 0.00 0.00 39.34 35.21 2dmw n TYR 107 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2dmw n ALA 108 N -3.82 1.34 -1.50 -0.72 0.00 -1.22 -4.59 120.51 110.01 2dmw n ALA 108 Ca -0.11 -1.04 -0.16 0.00 0.00 0.00 0.00 53.44 52.14 2dmw n ALA 108 Cb 0.59 0.12 0.15 0.00 0.00 0.00 0.00 19.45 20.31 2dmw n ALA 108 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2dmw n MET 109 N -3.99 2.31 -0.08 0.00 2.81 -1.26 -4.66 117.12 112.26 2dmw n MET 109 Ca -0.50 -3.34 -0.13 0.00 -1.81 0.00 0.00 57.70 51.92 2dmw n MET 109 Cb 0.88 -2.02 -0.05 0.00 -0.71 0.00 0.00 33.22 31.32 2dmw n MET 109 CO 0.00 0.00 0.00 -0.97 1.51 0.00 0.00 175.97 176.51 2dmw h ASN 110 N 1.35 0.67 0.85 7.83 -1.24 -1.81 -2.86 115.58 120.37 2dmw h ASN 110 Ca 0.38 -0.48 -0.04 0.00 0.71 0.00 0.00 56.30 56.87 2dmw h ASN 110 Cb 1.70 -0.19 0.01 0.00 0.73 0.00 0.00 38.32 40.57 2dmw h ASN 110 CO 0.76 1.01 -0.42 0.28 -1.29 0.00 0.00 177.43 177.77 2dmw h SER 111 N 0.35 -0.99 -0.63 1.15 0.02 -1.92 0.28 113.55 111.80 2dmw h SER 111 Ca 0.04 0.04 0.10 0.00 -0.84 0.00 0.00 61.79 61.13 2dmw h SER 111 Cb 0.82 0.26 -0.12 0.00 0.14 0.00 0.00 62.40 63.51 2dmw h SER 111 CO 0.06 -0.70 -0.38 -0.33 -1.14 0.00 0.00 176.83 174.35 2dmw h GLU 112 N -1.15 -0.16 0.45 3.45 4.39 -1.91 -1.57 114.58 118.08 2dmw h GLU 112 Ca -0.12 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 2dmw h GLU 112 Cb 0.88 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 2dmw h GLU 112 CO 0.18 -0.11 -0.23 0.35 -1.16 0.00 0.00 179.01 178.05 2dmw h PHE 113 N -0.17 -0.59 -0.84 4.33 3.57 -1.46 -2.43 116.94 119.36 2dmw h PHE 113 Ca 0.22 -0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.94 2dmw h PHE 113 Cb 0.56 0.20 -0.16 0.00 2.79 0.00 0.00 35.95 39.34 2dmw h PHE 113 CO -0.69 -0.36 0.02 -1.13 -2.23 0.00 0.00 178.31 173.92 2dmw n SER 114 N -5.36 -0.09 0.06 0.41 3.41 0.99 0.36 113.62 113.40 2dmw n SER 114 Ca -0.11 1.43 -0.13 0.00 -0.26 0.00 0.00 58.87 59.80 2dmw n SER 114 Cb 0.27 -0.52 -0.09 0.00 -0.26 0.00 0.00 64.21 63.60 2dmw n SER 114 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2dmw h SER 115 N 0.00 -0.15 0.33 4.04 0.87 -1.15 -2.27 113.55 115.22 2dmw h SER 115 Ca 0.51 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2dmw h SER 115 Cb 1.07 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 63.03 2dmw h SER 115 CO -0.79 0.28 -0.44 0.58 -0.53 0.00 0.00 176.83 175.93 2dmw h VAL 116 N -0.60 0.13 -0.07 2.23 2.07 0.39 -2.36 116.25 118.04 2dmw h VAL 116 Ca -0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.54 2dmw h VAL 116 Cb 0.47 0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 2dmw h VAL 116 CO 0.03 0.00 -0.47 -0.07 0.02 0.00 0.00 177.57 177.08 2dmw h LEU 117 N -0.81 -1.47 -0.95 2.57 3.38 -0.38 -1.61 115.31 116.04 2dmw h LEU 117 Ca -0.02 0.18 0.19 0.00 0.09 0.00 0.00 57.88 58.32 2dmw h LEU 117 Cb 0.75 0.58 -0.18 0.00 0.09 0.00 0.00 40.66 41.90 2dmw h LEU 117 CO -0.13 -0.47 -0.23 0.00 0.09 0.00 0.00 178.44 177.70 2dmw h ALA 118 N -0.12 0.63 -0.98 1.53 0.00 -1.26 0.86 119.26 119.93 2dmw h ALA 118 Ca 0.05 0.37 0.04 0.00 0.00 0.00 0.00 54.91 55.36 2dmw h ALA 118 Cb 0.67 0.72 -0.06 0.00 0.00 0.00 0.00 17.79 19.12 2dmw h ALA 118 CO -0.38 -0.39 0.64 0.00 0.00 0.00 0.00 179.25 179.12 2dmw h ALA 119 N 1.95 1.29 -0.33 0.00 0.00 -0.77 -1.03 119.26 120.36 2dmw h ALA 119 Ca 0.46 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.26 2dmw h ALA 119 Cb 0.70 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2dmw h ALA 119 CO -0.97 0.52 -0.05 1.96 0.00 0.00 0.00 179.25 180.72 2dmw h GLN 120 N 1.23 0.62 0.55 0.00 1.08 0.13 -0.87 115.11 117.86 2dmw h GLN 120 Ca 0.39 -0.22 -0.03 0.00 -1.45 0.00 0.00 58.65 57.34 2dmw h GLN 120 Cb 0.00 -0.04 0.01 0.00 -0.05 0.00 0.00 27.48 27.39 2dmw h GLN 120 CO -0.12 0.77 -0.26 -0.07 -0.95 0.00 0.00 178.83 178.20 2dmw h LEU 121 N 0.41 -0.62 -0.82 1.46 3.38 -0.30 -2.17 115.31 116.65 2dmw h LEU 121 Ca 0.09 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.12 2dmw h LEU 121 Cb 0.52 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 2dmw h LEU 121 CO 0.03 -0.45 0.52 0.50 0.09 0.00 0.00 178.44 179.13 2dmw h LYS 122 N -0.74 0.97 0.04 1.13 3.11 -1.23 0.96 116.57 120.82 2dmw h LYS 122 Ca -0.08 -0.06 0.03 0.00 -2.81 0.00 0.00 60.65 57.73 2dmw h LYS 122 Cb 0.56 -0.22 -0.05 0.00 -1.00 0.00 0.00 32.23 31.53 2dmw h LYS 122 CO 0.12 0.64 -0.38 1.25 -2.81 0.00 0.00 179.45 178.27 2dmw h HIS 123 N 1.00 -1.07 0.53 1.91 2.76 -0.95 -3.21 115.15 116.12 2dmw h HIS 123 Ca 0.33 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.51 2dmw h HIS 123 Cb 0.03 0.47 0.01 0.00 1.55 0.00 0.00 27.41 29.46 2dmw h HIS 123 CO -0.03 -0.48 -0.26 0.45 -1.30 0.00 0.00 177.93 176.32 2dmw h HIS 124 N -0.57 -0.66 -2.55 5.26 3.86 -1.16 -3.43 115.15 115.90 2dmw h HIS 124 Ca 0.04 -0.02 -0.53 0.00 -1.16 0.00 0.00 60.37 58.70 2dmw h HIS 124 Cb 0.63 0.22 0.02 0.00 1.06 0.00 0.00 27.41 29.34 2dmw h HIS 124 CO -0.37 -0.41 1.10 0.45 0.86 0.00 0.00 177.93 179.56 2dmw s SER 125 N -4.14 6.52 0.30 2.45 0.15 0.31 -4.86 113.70 114.43 2dmw s SER 125 Ca -0.10 2.57 0.00 0.00 0.70 0.00 0.00 55.95 59.12 2dmw s SER 125 Cb 0.01 -2.55 0.71 0.00 -1.71 0.00 0.00 66.02 62.48 2dmw s SER 125 CO 0.31 -0.97 1.57 0.28 1.20 0.00 0.00 173.24 175.63 2dmw h SER 126 N 9.17 -0.56 0.00 5.45 0.02 -1.83 -3.42 113.55 122.37 2dmw h SER 126 Ca -0.45 0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2dmw h SER 126 Cb 1.21 0.51 0.00 0.00 0.14 0.00 0.00 62.40 64.26 2dmw h SER 126 CO 0.94 -0.35 0.00 0.61 -1.14 0.00 0.00 176.83 176.89 2dmw n GLY 127 N -1.52 0.27 3.57 -3.77 0.00 -1.26 -5.00 105.19 97.47 2dmw n GLY 127 Ca 0.22 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2dmw n GLY 127 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmw s PRO 128 N 0.00 2.99 -0.18 1.61 0.04 -1.26 -4.94 135.00 133.26 2dmw s PRO 128 Ca 0.00 0.94 -0.05 0.00 0.04 0.00 0.00 61.00 61.93 2dmw s PRO 128 Cb 0.00 -4.28 0.09 0.00 0.04 0.00 0.00 34.50 30.35 2dmw s PRO 128 CO 0.00 -2.29 0.34 -1.12 0.04 0.00 0.00 177.00 173.97 2dmw s SER 129 N 6.90 0.15 -1.22 6.66 0.01 -1.26 -4.90 113.70 120.05 2dmw s SER 129 Ca 0.71 0.65 -0.07 0.00 1.31 0.00 0.00 55.95 58.55 2dmw s SER 129 Cb -0.16 1.00 0.01 0.00 0.21 0.00 0.00 66.02 67.08 2dmw s SER 129 CO 0.27 -0.25 1.07 -0.24 0.41 0.00 0.00 173.24 174.49 2dmw n SER 130 N 5.37 -5.63 0.00 2.44 2.88 -1.26 -5.30 113.62 112.11 2dmw n SER 130 Ca -0.07 -0.50 0.00 0.00 -1.33 0.00 0.00 58.87 56.98 2dmw n SER 130 Cb 0.50 -4.64 0.00 0.00 -0.75 0.00 0.00 64.21 59.32 2dmw n SER 130 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42