#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmw n SER 2 N 0.00 2.25 -4.65 1.61 7.64 -1.26 -4.88 113.62 114.32 2dmw n SER 2 Ca 0.00 0.02 -0.43 0.00 1.01 0.00 0.00 58.87 59.47 2dmw n SER 2 Cb 0.00 -0.20 -0.02 0.00 -1.01 0.00 0.00 64.21 62.98 2dmw n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dmw s SER 3 N -5.26 6.90 -0.41 6.43 1.04 -1.26 -4.93 113.70 116.21 2dmw s SER 3 Ca -0.12 1.58 0.09 0.00 0.48 0.00 0.00 55.95 57.98 2dmw s SER 3 Cb 0.04 -2.54 0.31 0.00 0.10 0.00 0.00 66.02 63.93 2dmw s SER 3 CO 0.19 -0.82 0.76 0.61 0.98 0.00 0.00 173.24 174.96 2dmw n GLY 4 N 3.73 2.45 0.42 7.32 0.00 -1.26 -5.00 105.19 112.84 2dmw n GLY 4 Ca 0.14 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 2dmw n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dmw h SER 5 N 3.38 -2.08 -2.87 1.61 0.02 -2.00 -3.39 113.55 108.23 2dmw h SER 5 Ca 0.03 0.33 -0.54 0.00 -0.84 0.00 0.00 61.79 60.76 2dmw h SER 5 Cb 0.98 0.93 0.07 0.00 0.14 0.00 0.00 62.40 64.52 2dmw h SER 5 CO 0.40 -0.24 0.87 -0.24 -1.14 0.00 0.00 176.83 176.48 2dmw n SER 6 N -5.28 3.65 0.00 3.07 2.88 -1.26 -4.61 113.62 112.07 2dmw n SER 6 Ca 0.03 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 2dmw n SER 6 Cb 0.28 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.19 2dmw n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmw n GLY 7 N 2.88 0.92 3.57 0.46 0.00 -1.26 -4.81 105.19 106.95 2dmw n GLY 7 Ca 0.12 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 2dmw n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dmw s MET 8 N -0.20 3.61 0.36 1.61 1.00 -1.26 -4.86 119.30 119.55 2dmw s MET 8 Ca 0.00 0.22 -0.06 0.00 0.00 0.00 0.00 55.69 55.85 2dmw s MET 8 Cb 0.00 -3.89 0.02 0.00 0.00 0.00 0.00 34.83 30.96 2dmw s MET 8 CO 0.00 -1.09 0.57 0.00 0.00 0.00 0.00 175.02 174.50 2dmw s ALA 9 N 3.51 0.38 0.41 3.03 0.00 -1.26 -4.94 121.76 122.90 2dmw s ALA 9 Ca 0.35 -1.32 -0.27 0.00 0.00 0.00 0.00 51.96 50.72 2dmw s ALA 9 Cb -0.11 1.02 -0.10 0.00 0.00 0.00 0.00 23.12 23.93 2dmw s ALA 9 CO 0.23 -0.85 1.46 0.42 0.00 0.00 0.00 175.76 177.03 2dmw s ILE 10 N -2.80 2.04 0.00 0.00 1.01 -1.26 -4.65 121.20 115.54 2dmw s ILE 10 Ca 0.26 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.95 2dmw s ILE 10 Cb -0.02 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.43 2dmw s ILE 10 CO 0.18 0.01 0.00 0.18 0.00 0.00 0.00 174.94 175.31 2dmw n LEU 11 N 0.14 2.47 -4.33 2.97 4.77 -1.11 -4.97 117.00 116.94 2dmw n LEU 11 Ca 0.03 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.69 2dmw n LEU 11 Cb 0.40 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.34 2dmw n LEU 11 CO 0.62 0.41 -0.50 0.12 -1.33 0.00 0.00 177.39 176.71 2dmw s PHE 12 N -1.96 2.66 -0.29 -1.77 5.36 -1.21 -2.96 117.98 117.81 2dmw s PHE 12 Ca 0.00 -0.69 -0.04 0.00 -0.96 0.00 0.00 56.93 55.24 2dmw s PHE 12 Cb 0.00 -1.74 0.17 0.00 -0.34 0.00 0.00 43.02 41.11 2dmw s PHE 12 CO 0.00 -0.21 0.59 0.00 -1.46 0.00 0.00 175.22 174.15 2dmw s ALA 13 N 0.10 -2.08 0.18 11.12 0.00 -1.26 -1.51 121.76 128.32 2dmw s ALA 13 Ca -0.08 1.92 0.01 0.00 0.00 0.00 0.00 51.96 53.81 2dmw s ALA 13 Cb -0.15 -2.00 -0.05 0.00 0.00 0.00 0.00 23.12 20.93 2dmw s ALA 13 CO 0.05 -1.19 0.03 0.14 0.00 0.00 0.00 175.76 174.80 2dmw s VAL 14 N 2.84 0.54 -0.21 0.00 -7.23 -1.11 -3.70 120.40 111.53 2dmw s VAL 14 Ca 0.12 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.32 2dmw s VAL 14 Cb -0.14 -2.21 0.03 0.00 0.56 0.00 0.00 36.38 34.62 2dmw s VAL 14 CO -0.20 -0.38 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.38 2dmw s VAL 15 N -3.75 2.29 0.02 1.32 1.01 -0.30 -3.39 120.40 117.59 2dmw s VAL 15 Ca 0.27 -1.09 0.01 0.00 0.00 0.00 0.00 61.98 61.17 2dmw s VAL 15 Cb 0.07 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 2dmw s VAL 15 CO 0.06 0.35 -0.05 0.00 0.00 0.00 0.00 175.10 175.46 2dmw s ALA 16 N 1.26 0.32 -0.02 5.51 0.00 -0.87 -1.59 121.76 126.37 2dmw s ALA 16 Ca 0.01 -0.48 0.03 0.00 0.00 0.00 0.00 51.96 51.52 2dmw s ALA 16 Cb -0.15 0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.00 2dmw s ALA 16 CO -0.09 -0.03 -0.11 -0.98 0.00 0.00 0.00 175.76 174.54 2dmw s ARG 17 N -1.00 1.04 -1.00 0.00 1.70 0.61 -1.19 118.95 119.11 2dmw s ARG 17 Ca -0.08 -0.40 -0.25 0.00 -0.47 0.00 0.00 55.73 54.53 2dmw s ARG 17 Cb -0.07 -0.98 0.03 0.00 -0.57 0.00 0.00 34.95 33.37 2dmw s ARG 17 CO -0.00 0.21 0.58 0.41 -1.08 0.00 0.00 175.30 175.42 2dmw n GLY 18 N 2.97 -0.82 3.88 3.88 0.00 -1.26 0.08 105.19 113.92 2dmw n GLY 18 Ca -0.16 0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.12 -3.19 -3.34 2.61 -2.24 -1.26 -4.96 114.28 97.78 2dmw n THR 19 Ca -0.14 -0.36 -0.10 0.00 -2.27 0.00 0.00 64.05 61.18 2dmw n THR 19 Cb 0.52 -3.01 -0.07 0.00 -2.10 0.00 0.00 70.33 65.67 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 -3.67 -0.60 -0.10 4.28 2.01 0.11 -5.08 115.64 112.59 2dmw s THR 20 Ca 0.19 -0.20 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 2dmw s THR 20 Cb -0.10 -0.90 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 2dmw s THR 20 CO 0.85 -0.22 1.15 -0.63 -0.69 0.00 0.00 174.62 175.08 2dmw s ILE 21 N 2.53 4.42 -0.20 1.82 1.01 -1.26 -0.29 121.20 129.24 2dmw s ILE 21 Ca 0.11 1.73 0.06 0.00 0.00 0.00 0.00 60.65 62.55 2dmw s ILE 21 Cb -0.14 -4.11 -0.21 0.00 0.01 0.00 0.00 42.46 38.00 2dmw s ILE 21 CO -0.23 -0.04 0.05 0.18 0.00 0.00 0.00 174.94 174.90 2dmw n LEU 22 N 5.50 1.90 -3.49 2.97 4.77 -0.62 -4.25 117.00 123.79 2dmw n LEU 22 Ca 0.11 0.02 -0.05 0.00 -0.03 0.00 0.00 56.01 56.06 2dmw n LEU 22 Cb 0.47 -0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 2dmw n LEU 22 CO 0.54 0.75 0.08 0.00 -1.33 0.00 0.00 177.39 177.44 2dmw s ALA 23 N -2.53 -1.55 0.02 -1.18 0.00 -1.13 -3.88 121.76 111.52 2dmw s ALA 23 Ca -0.23 1.62 0.08 0.00 0.00 0.00 0.00 51.96 53.43 2dmw s ALA 23 Cb 0.08 -1.66 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 2dmw s ALA 23 CO 0.71 -1.02 -0.24 -1.59 0.00 0.00 0.00 175.76 173.63 2dmw s LYS 24 N 2.71 1.97 -0.30 0.00 -2.85 -1.26 -1.15 119.74 118.86 2dmw s LYS 24 Ca 0.05 -1.02 -0.02 0.00 -1.00 0.00 0.00 55.97 53.98 2dmw s LYS 24 Cb -0.13 -2.06 0.19 0.00 -2.06 0.00 0.00 37.83 33.77 2dmw s LYS 24 CO -0.16 0.54 0.66 -1.58 0.10 0.00 0.00 175.35 174.91 2dmw s HIS 25 N -0.78 -1.49 0.23 1.78 2.46 -1.24 -4.80 115.29 111.44 2dmw s HIS 25 Ca 0.12 1.44 0.03 0.00 0.47 0.00 0.00 55.06 57.12 2dmw s HIS 25 Cb -0.10 0.47 -0.05 0.00 -0.13 0.00 0.00 32.58 32.77 2dmw s HIS 25 CO 0.02 -0.83 0.01 0.00 -2.47 0.00 0.00 174.74 171.47 2dmw s ALA 26 N 2.87 1.73 0.57 1.58 0.00 -1.26 -3.97 121.76 123.28 2dmw s ALA 26 Ca 0.17 -1.76 -0.17 0.00 0.00 0.00 0.00 51.96 50.20 2dmw s ALA 26 Cb -0.13 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 2dmw s ALA 26 CO -0.21 -0.29 1.09 -1.58 0.00 0.00 0.00 175.76 174.77 2dmw s TRP 27 N -3.50 2.81 -0.54 0.00 0.52 -1.15 -4.95 118.94 112.12 2dmw s TRP 27 Ca 0.29 1.54 -0.28 0.00 0.02 0.00 0.00 56.10 57.67 2dmw s TRP 27 Cb 0.06 -3.14 0.01 0.00 -1.15 0.00 0.00 33.47 29.25 2dmw s TRP 27 CO 0.09 -1.34 1.48 0.00 0.02 0.00 0.00 176.95 177.20 2dmw n GLY 29 N 5.30 -1.95 0.00 0.00 0.00 -1.26 -5.16 105.19 102.11 2dmw n GLY 29 Ca 0.14 0.92 0.00 0.00 0.00 0.00 0.00 46.02 47.08 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 0.00 0.41 3.28 -0.02 0.00 -1.26 -4.93 105.19 102.67 2dmw n GLY 30 Ca 0.00 -1.92 -0.37 0.00 0.00 0.00 0.00 46.02 43.73 2dmw n GLY 30 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dmw s ASN 31 N -0.95 5.15 -0.21 1.61 3.84 -1.26 -4.93 114.94 118.19 2dmw s ASN 31 Ca 0.00 -0.99 0.02 0.00 0.21 0.00 0.00 52.86 52.10 2dmw s ASN 31 Cb 0.00 -1.85 -0.14 0.00 -0.55 0.00 0.00 41.25 38.72 2dmw s ASN 31 CO 0.00 -0.26 -0.18 0.49 -2.79 0.00 0.00 177.10 174.36 2dmw n PHE 32 N 4.81 0.00 -0.54 0.43 3.72 -1.26 -4.47 117.46 120.15 2dmw n PHE 32 Ca -0.13 0.00 0.42 0.00 -0.05 0.00 0.00 57.45 57.68 2dmw n PHE 32 Cb 0.46 -0.80 0.66 0.00 -0.94 0.00 0.00 39.48 38.86 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 -3.09 0.05 0.09 4.37 7.94 -1.26 -0.52 117.00 124.58 2dmw n LEU 33 Ca -0.36 0.92 -0.04 0.00 -1.11 0.00 0.00 56.01 55.42 2dmw n LEU 33 Cb 0.89 -0.46 -0.02 0.00 0.53 0.00 0.00 43.42 44.37 2dmw n LEU 33 CO 0.21 -0.95 0.51 -0.33 -1.11 0.00 0.00 177.39 175.72 2dmw h GLU 34 N 0.00 -0.23 -0.60 1.96 5.08 -2.01 0.07 114.58 118.85 2dmw h GLU 34 Ca 0.78 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 59.24 2dmw h GLU 34 Cb 2.96 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 32.23 2dmw h GLU 34 CO -0.11 -0.15 0.40 -0.24 -1.00 0.00 0.00 179.01 177.91 2dmw h VAL 35 N -0.24 0.91 0.22 3.13 3.04 -1.09 -2.26 116.25 119.97 2dmw h VAL 35 Ca -0.02 -0.15 -0.01 0.00 -1.01 0.00 0.00 66.70 65.50 2dmw h VAL 35 Cb 0.18 0.43 0.00 0.00 -2.01 0.00 0.00 31.29 29.90 2dmw h VAL 35 CO 0.04 0.08 -0.11 0.74 -1.01 0.00 0.00 177.57 177.31 2dmw h THR 36 N 0.44 0.82 0.01 3.17 2.02 -1.15 -2.21 112.91 116.02 2dmw h THR 36 Ca 0.28 -0.18 0.02 0.00 0.77 0.00 0.00 66.41 67.29 2dmw h THR 36 Cb 0.49 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 2dmw h THR 36 CO -0.08 0.04 -0.12 -0.33 0.37 0.00 0.00 175.52 175.40 2dmw h GLU 37 N -0.39 -0.21 -0.79 6.66 5.08 -0.43 -1.10 114.58 123.41 2dmw h GLU 37 Ca -0.03 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.51 2dmw h GLU 37 Cb 0.30 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.49 2dmw h GLU 37 CO 0.05 -0.14 0.28 1.96 -1.00 0.00 0.00 179.01 180.16 2dmw h GLN 38 N -0.22 0.36 -0.59 2.33 4.20 -1.39 0.21 115.11 120.02 2dmw h GLN 38 Ca 0.04 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 2dmw h GLN 38 Cb 0.26 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 2dmw h GLN 38 CO -0.11 0.24 0.08 0.82 -0.67 0.00 0.00 178.83 179.18 2dmw h ILE 39 N 0.37 1.26 -0.62 2.54 1.08 -0.87 -3.00 117.51 118.27 2dmw h ILE 39 Ca 0.45 -1.02 0.10 0.00 -0.39 0.00 0.00 64.86 64.00 2dmw h ILE 39 Cb 0.76 0.78 -0.08 0.00 -3.07 0.00 0.00 36.82 35.21 2dmw h ILE 39 CO -0.47 0.37 0.23 -0.07 -0.69 0.00 0.00 178.15 177.52 2dmw h LEU 40 N 0.88 0.21 0.00 1.44 3.38 0.30 0.46 115.31 121.99 2dmw h LEU 40 Ca 0.18 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2dmw h LEU 40 Cb 0.45 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2dmw h LEU 40 CO 0.02 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.67 2dmw n ALA 41 N -2.48 1.32 -0.04 1.53 0.00 -0.86 -1.29 120.51 118.69 2dmw n ALA 41 Ca 0.09 -0.02 0.01 0.00 0.00 0.00 0.00 53.44 53.52 2dmw n ALA 41 Cb 0.29 -1.08 -0.12 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.39 1.01 -2.73 0.00 5.02 0.15 -4.95 118.16 115.26 2dmw n LYS 42 Ca 0.02 -0.08 -0.42 0.00 -2.02 0.00 0.00 58.31 55.81 2dmw n LYS 42 Cb 0.05 -1.37 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 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 -2.75 4.85 1.12 -0.18 1.01 -0.30 -5.05 121.20 119.91 2dmw s ILE 43 Ca -0.06 2.00 -0.16 0.00 0.00 0.00 0.00 60.65 62.43 2dmw s ILE 43 Cb 0.07 -4.29 0.25 0.00 0.01 0.00 0.00 42.46 38.50 2dmw s ILE 43 CO 0.62 0.11 1.10 -2.16 0.00 0.00 0.00 174.94 174.62 2dmw s PRO 44 N 1.36 -0.56 0.04 2.79 0.04 -1.26 -4.94 135.00 132.47 2dmw s PRO 44 Ca 0.49 0.17 0.17 0.00 0.04 0.00 0.00 61.00 61.88 2dmw s PRO 44 Cb -0.20 -1.65 -0.15 0.00 0.04 0.00 0.00 34.50 32.54 2dmw s PRO 44 CO 0.24 -3.32 0.77 -1.13 0.04 0.00 0.00 177.00 173.59 2dmw n SER 45 N -4.53 0.77 -4.27 6.66 3.41 -1.26 -4.96 113.62 109.44 2dmw n SER 45 Ca 0.10 0.34 -0.36 0.00 -0.26 0.00 0.00 58.87 58.68 2dmw n SER 45 Cb 0.59 0.31 0.05 0.00 -0.26 0.00 0.00 64.21 64.90 2dmw n SER 45 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2dmw n GLU 46 N -2.84 0.06 -2.77 4.33 1.02 -1.26 -4.47 120.64 114.71 2dmw n GLU 46 Ca -0.11 0.04 -0.43 0.00 -0.02 0.00 0.00 57.16 56.64 2dmw n GLU 46 Cb 0.84 -1.40 -0.01 0.00 -0.02 0.00 0.00 31.44 30.86 2dmw n GLU 46 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2dmw s ASN 47 N -1.30 6.86 -0.22 1.62 2.47 -1.26 -4.72 114.94 118.38 2dmw s ASN 47 Ca 0.54 -2.47 -0.19 0.00 0.42 0.00 0.00 52.86 51.16 2dmw s ASN 47 Cb -0.31 -2.49 0.06 0.00 -1.45 0.00 0.00 41.25 37.06 2dmw s ASN 47 CO 0.69 -1.04 0.58 0.21 -3.72 0.00 0.00 177.10 173.82 2dmw s ASN 48 N 3.71 -0.64 0.32 -4.21 2.47 -1.25 -4.98 114.94 110.36 2dmw s ASN 48 Ca 0.46 1.19 0.07 0.00 0.42 0.00 0.00 52.86 55.00 2dmw s ASN 48 Cb -0.00 1.18 -0.02 0.00 -1.45 0.00 0.00 41.25 40.96 2dmw s ASN 48 CO 0.00 -0.21 0.41 -1.59 -3.72 0.00 0.00 177.10 172.00 2dmw s LYS 49 N 0.55 3.05 -0.28 0.43 -2.85 -1.26 -3.95 119.74 115.43 2dmw s LYS 49 Ca -0.02 -1.05 -0.24 0.00 -1.00 0.00 0.00 55.97 53.65 2dmw s LYS 49 Cb -0.05 -2.74 0.10 0.00 -2.06 0.00 0.00 37.83 33.08 2dmw s LYS 49 CO -0.03 0.12 0.89 -1.17 0.10 0.00 0.00 175.35 175.26 2dmw s LEU 50 N -4.10 -0.60 -0.48 2.77 0.20 -1.24 -5.05 118.68 110.18 2dmw s LEU 50 Ca 0.43 1.13 -0.26 0.00 0.69 0.00 0.00 54.13 56.12 2dmw s LEU 50 Cb -0.09 2.14 0.03 0.00 -0.43 0.00 0.00 46.19 47.84 2dmw s LEU 50 CO 0.30 -0.19 0.98 -0.89 -0.29 0.00 0.00 176.35 176.26 2dmw s THR 51 N 0.41 4.39 -0.30 3.68 2.01 -1.26 -4.04 115.64 120.52 2dmw s THR 51 Ca 0.01 0.81 -0.10 0.00 0.31 0.00 0.00 61.69 62.72 2dmw s THR 51 Cb -0.05 -4.49 -0.02 0.00 0.01 0.00 0.00 72.50 67.95 2dmw s THR 51 CO -0.04 -0.92 0.15 -0.47 -0.69 0.00 0.00 174.62 172.65 2dmw s TYR 52 N 3.98 3.17 -0.43 4.92 6.14 -0.96 -5.01 117.35 129.16 2dmw s TYR 52 Ca 0.39 -0.37 -0.20 0.00 0.64 0.00 0.00 57.07 57.52 2dmw s TYR 52 Cb -0.10 -2.35 0.02 0.00 0.42 0.00 0.00 41.96 39.95 2dmw s TYR 52 CO 0.27 -0.37 0.61 -1.54 0.64 0.00 0.00 175.55 175.16 2dmw s SER 53 N 1.65 6.31 -0.21 4.32 1.04 -1.26 -0.72 113.70 124.83 2dmw s SER 53 Ca 0.06 -0.34 0.02 0.00 0.48 0.00 0.00 55.95 56.16 2dmw s SER 53 Cb -0.17 -2.31 0.04 0.00 0.10 0.00 0.00 66.02 63.69 2dmw s SER 53 CO 0.07 -0.74 -0.14 -2.28 0.98 0.00 0.00 173.24 171.13 2dmw s HIS 54 N 2.72 2.87 0.00 5.02 2.46 -0.98 -4.99 115.29 122.39 2dmw s HIS 54 Ca 0.21 -1.89 0.00 0.00 0.47 0.00 0.00 55.06 53.86 2dmw s HIS 54 Cb -0.14 -1.85 0.00 0.00 -0.13 0.00 0.00 32.58 30.45 2dmw s HIS 54 CO 0.18 -0.82 0.00 0.41 -2.47 0.00 0.00 174.74 172.04 2dmw n GLY 55 N 4.57 1.84 1.56 1.59 0.00 -1.26 -1.99 105.19 111.50 2dmw n GLY 55 Ca -0.17 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 2dmw n GLY 55 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dmw n ASN 56 N -1.38 3.91 -3.88 1.61 3.02 -1.26 -4.84 115.26 112.44 2dmw n ASN 56 Ca 0.00 -2.71 -0.10 0.00 -0.03 0.00 0.00 54.58 51.74 2dmw n ASN 56 Cb 0.00 -0.72 -0.09 0.00 -0.61 0.00 0.00 39.78 38.36 2dmw n ASN 56 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2dmw s TYR 57 N -1.36 0.12 -0.13 3.10 1.51 -0.84 -4.28 117.35 115.47 2dmw s TYR 57 Ca 0.23 -0.36 -0.07 0.00 -1.01 0.00 0.00 57.07 55.86 2dmw s TYR 57 Cb 0.19 -0.08 -0.04 0.00 -0.11 0.00 0.00 41.96 41.92 2dmw s TYR 57 CO 0.03 -0.39 0.12 -0.51 -1.11 0.00 0.00 175.55 173.70 2dmw s LEU 58 N -2.04 4.28 -0.47 -1.29 1.43 -0.68 -2.32 118.68 117.59 2dmw s LEU 58 Ca -0.06 0.40 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 2dmw s LEU 58 Cb -0.02 -2.05 0.12 0.00 0.03 0.00 0.00 46.19 44.28 2dmw s LEU 58 CO -0.04 0.37 0.22 -0.36 0.23 0.00 0.00 176.35 176.77 2dmw s PHE 59 N -0.82 3.43 -0.20 0.29 0.40 0.10 -2.54 117.98 118.63 2dmw s PHE 59 Ca 0.14 -2.99 -0.13 0.00 -0.60 0.00 0.00 56.93 53.35 2dmw s PHE 59 Cb -0.12 -2.95 -0.05 0.00 0.51 0.00 0.00 43.02 40.42 2dmw s PHE 59 CO 0.03 -0.84 0.27 -1.01 0.70 0.00 0.00 175.22 174.37 2dmw s HIS 60 N 0.24 3.38 -0.03 0.36 3.76 -1.21 -2.26 115.29 119.53 2dmw s HIS 60 Ca 0.14 0.46 0.04 0.00 -0.15 0.00 0.00 55.06 55.54 2dmw s HIS 60 Cb -0.23 -2.36 -0.00 0.00 1.11 0.00 0.00 32.58 31.10 2dmw s HIS 60 CO -0.03 0.10 -0.13 1.52 -0.85 0.00 0.00 174.74 175.35 2dmw s TYR 61 N 0.94 1.29 -0.30 1.40 -0.85 -1.26 -2.77 117.35 115.81 2dmw s TYR 61 Ca 0.14 -0.32 0.03 0.00 -0.52 0.00 0.00 57.07 56.40 2dmw s TYR 61 Cb -0.14 -0.88 0.08 0.00 0.38 0.00 0.00 41.96 41.41 2dmw s TYR 61 CO 0.05 -0.10 -0.03 0.42 -1.52 0.00 0.00 175.55 174.37 2dmw s ILE 62 N 0.01 2.17 -0.02 -3.49 1.01 -1.17 -3.61 121.20 116.09 2dmw s ILE 62 Ca -0.01 -1.95 -0.30 0.00 0.00 0.00 0.00 60.65 58.39 2dmw s ILE 62 Cb -0.09 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 2dmw s ILE 62 CO 0.01 -0.31 1.05 0.00 0.00 0.00 0.00 174.94 175.69 2dmw s GLN 64 N 1.40 0.69 -1.48 0.00 2.00 0.15 -3.89 119.66 118.52 2dmw s GLN 64 Ca 0.53 1.05 -0.12 0.00 -2.00 0.00 0.00 55.36 54.82 2dmw s GLN 64 Cb -0.22 0.21 0.08 0.00 0.80 0.00 0.00 33.01 33.88 2dmw s GLN 64 CO 0.25 -0.12 0.82 -0.25 -0.50 0.00 0.00 175.29 175.50 2dmw n ASP 65 N 3.64 -4.72 -1.70 6.67 9.92 -1.26 -0.06 116.55 129.04 2dmw n ASP 65 Ca -0.18 -0.63 -0.15 0.00 -0.53 0.00 0.00 54.79 53.30 2dmw n ASP 65 Cb 0.57 -3.80 -0.01 0.00 -0.64 0.00 0.00 41.12 37.25 2dmw n ASP 65 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2dmw n ARG 66 N -4.39 -1.22 -4.73 -1.24 1.74 -1.26 -5.00 116.66 100.56 2dmw n ARG 66 Ca 0.01 0.78 -0.24 0.00 -0.77 0.00 0.00 57.85 57.63 2dmw n ARG 66 Cb 0.54 -5.12 -0.15 0.00 -1.02 0.00 0.00 32.46 26.71 2dmw n ARG 66 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2dmw s ILE 67 N -2.75 1.41 -0.11 0.55 -1.09 0.91 -4.46 121.20 115.66 2dmw s ILE 67 Ca 0.00 -0.88 0.03 0.00 -2.23 0.00 0.00 60.65 57.57 2dmw s ILE 67 Cb 0.00 -1.20 -0.00 0.00 -1.58 0.00 0.00 42.46 39.68 2dmw s ILE 67 CO 0.00 0.30 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.11 2dmw s VAL 68 N -0.55 2.31 -0.43 2.92 1.01 -0.33 -0.67 120.40 124.66 2dmw s VAL 68 Ca 0.06 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.13 2dmw s VAL 68 Cb -0.07 -1.91 0.12 0.00 0.00 0.00 0.00 36.38 34.52 2dmw s VAL 68 CO 0.00 0.55 0.18 -0.31 0.00 0.00 0.00 175.10 175.52 2dmw s TYR 69 N 0.35 3.56 0.12 5.22 1.51 -1.22 -2.06 117.35 124.85 2dmw s TYR 69 Ca -0.17 -2.85 -0.05 0.00 -1.01 0.00 0.00 57.07 52.99 2dmw s TYR 69 Cb -0.17 -3.02 -0.05 0.00 -0.11 0.00 0.00 41.96 38.60 2dmw s TYR 69 CO 0.08 -0.90 0.37 -1.17 -1.11 0.00 0.00 175.55 172.81 2dmw s LEU 70 N 0.61 4.28 -0.20 -1.29 0.20 -1.22 -3.06 118.68 118.02 2dmw s LEU 70 Ca 0.12 0.60 -0.15 0.00 0.69 0.00 0.00 54.13 55.39 2dmw s LEU 70 Cb -0.22 -3.22 0.06 0.00 -0.43 0.00 0.00 46.19 42.38 2dmw s LEU 70 CO -0.05 0.08 0.50 0.00 -0.29 0.00 0.00 176.35 176.59 2dmw s ILE 72 N 0.85 5.25 0.32 0.00 1.01 -0.57 -3.31 121.20 124.76 2dmw s ILE 72 Ca -0.05 0.62 0.04 0.00 0.00 0.00 0.00 60.65 61.26 2dmw s ILE 72 Cb -0.05 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 2dmw s ILE 72 CO -0.07 0.31 0.18 0.42 0.00 0.00 0.00 174.94 175.77 2dmw s THR 73 N 1.00 0.30 -0.11 2.92 -4.23 -1.05 -2.76 115.64 111.69 2dmw s THR 73 Ca 0.17 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.44 2dmw s THR 73 Cb -0.14 -2.48 -0.03 0.00 1.34 0.00 0.00 72.50 71.19 2dmw s THR 73 CO 0.06 0.00 0.76 -1.81 -0.54 0.00 0.00 174.62 173.10 2dmw s ASP 74 N -3.41 6.97 0.31 3.99 1.11 -1.26 -1.69 116.67 122.69 2dmw s ASP 74 Ca 0.35 1.18 0.12 0.00 0.18 0.00 0.00 52.55 54.38 2dmw s ASP 74 Cb 0.04 -2.43 1.01 0.00 1.07 0.00 0.00 42.92 42.61 2dmw s ASP 74 CO 0.19 -0.25 1.43 -0.67 1.18 0.00 0.00 175.17 177.05 2dmw n ASP 75 N 4.46 0.14 -0.11 0.27 -0.08 -1.26 0.14 116.55 120.12 2dmw n ASP 75 Ca 0.01 1.53 -0.06 0.00 -1.51 0.00 0.00 54.79 54.76 2dmw n ASP 75 Cb 0.50 -0.67 0.02 0.00 2.34 0.00 0.00 41.12 43.31 2dmw n ASP 75 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 2dmw h ASP 76 N 0.00 0.17 -1.67 1.67 5.19 -1.94 -3.44 116.42 116.40 2dmw h ASP 76 Ca 0.68 0.03 -0.63 0.00 -0.62 0.00 0.00 57.03 56.50 2dmw h ASP 76 Cb 1.67 0.01 0.15 0.00 0.18 0.00 0.00 39.33 41.34 2dmw h ASP 76 CO -0.77 0.14 -0.80 0.33 -3.12 0.00 0.00 179.24 175.02 2dmw n PHE 77 N -4.99 -1.62 -2.60 4.55 7.35 0.37 -4.86 117.46 115.65 2dmw n PHE 77 Ca 0.01 0.67 -0.41 0.00 -0.76 0.00 0.00 57.45 56.96 2dmw n PHE 77 Cb 0.12 -1.84 -0.04 0.00 0.35 0.00 0.00 39.48 38.08 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 -1.09 4.58 0.14 -4.13 2.56 -1.26 -4.94 118.70 114.56 2dmw s GLU 78 Ca 0.61 1.58 -0.22 0.00 0.00 0.00 0.00 54.97 56.93 2dmw s GLU 78 Cb -0.68 -3.37 0.00 0.00 2.00 0.00 0.00 34.13 32.09 2dmw s GLU 78 CO 0.61 0.01 1.66 0.00 -0.56 0.00 0.00 175.26 176.98 2dmw h ARG 79 N 6.03 -0.19 -0.81 4.30 -0.00 -1.92 -2.21 114.38 119.58 2dmw h ARG 79 Ca -0.42 0.01 0.16 0.00 -0.50 0.00 0.00 59.98 59.23 2dmw h ARG 79 Cb 1.21 0.04 -0.15 0.00 0.00 0.00 0.00 29.97 31.08 2dmw h ARG 79 CO 0.75 -0.13 -0.24 1.03 0.00 0.00 0.00 179.97 181.38 2dmw h SER 80 N -0.20 -0.86 0.09 7.04 0.87 -1.99 -0.18 113.55 118.32 2dmw h SER 80 Ca 0.11 0.25 0.02 0.00 -1.23 0.00 0.00 61.79 60.95 2dmw h SER 80 Cb 0.37 0.54 -0.05 0.00 -0.44 0.00 0.00 62.40 62.82 2dmw h SER 80 CO -0.29 -0.28 -0.39 0.03 -0.53 0.00 0.00 176.83 175.37 2dmw h ARG 81 N -0.02 -0.59 0.03 2.24 3.08 -1.81 -0.57 114.38 116.76 2dmw h ARG 81 Ca 0.37 0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.48 2dmw h ARG 81 Cb 0.60 0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.74 2dmw h ARG 81 CO -0.84 -0.39 -0.37 0.00 -1.07 0.00 0.00 179.97 177.30 2dmw h ALA 82 N -0.07 -0.83 -1.13 0.04 0.00 -0.87 -0.57 119.26 115.82 2dmw h ALA 82 Ca 0.03 -0.07 0.32 0.00 0.00 0.00 0.00 54.91 55.19 2dmw h ALA 82 Cb 0.65 0.80 -0.10 0.00 0.00 0.00 0.00 17.79 19.14 2dmw h ALA 82 CO -0.25 -0.94 0.74 0.74 0.00 0.00 0.00 179.25 179.55 2dmw h PHE 83 N -0.49 0.53 0.00 0.00 0.04 -1.09 -1.96 116.94 113.96 2dmw h PHE 83 Ca 0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2dmw h PHE 83 Cb 0.51 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.52 2dmw h PHE 83 CO -0.45 -0.01 0.00 -1.71 -0.60 0.00 0.00 178.31 175.54 2dmw n ASN 84 N -4.58 0.00 -0.32 2.17 2.85 -0.23 -1.23 115.26 113.92 2dmw n ASN 84 Ca 0.28 0.95 0.21 0.00 -0.11 0.00 0.00 54.58 55.91 2dmw n ASN 84 Cb 1.07 -0.47 0.41 0.00 1.24 0.00 0.00 39.78 42.03 2dmw n ASN 84 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 2dmw h PHE 85 N 0.00 0.52 0.26 1.20 3.04 -0.86 -0.88 116.94 120.21 2dmw h PHE 85 Ca 0.00 0.05 -0.01 0.00 3.98 0.00 0.00 57.97 61.99 2dmw h PHE 85 Cb 0.00 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 38.44 2dmw h PHE 85 CO 0.21 -0.33 -0.14 -0.07 -2.02 0.00 0.00 178.31 175.96 2dmw h LEU 86 N 0.13 -0.33 -1.34 0.59 3.38 -1.29 -2.40 115.31 114.05 2dmw h LEU 86 Ca 0.68 0.01 0.38 0.00 0.09 0.00 0.00 57.88 59.05 2dmw h LEU 86 Cb 1.57 0.09 -0.12 0.00 0.09 0.00 0.00 40.66 42.28 2dmw h LEU 86 CO -0.74 -0.22 0.77 -1.13 0.09 0.00 0.00 178.44 177.21 2dmw h ASN 87 N -0.36 0.32 0.59 -0.43 -0.73 -0.16 0.40 115.58 115.21 2dmw h ASN 87 Ca -0.04 0.14 -0.03 0.00 1.87 0.00 0.00 56.30 58.24 2dmw h ASN 87 Cb 0.28 0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.98 2dmw h ASN 87 CO 0.05 -0.13 -0.32 -0.33 -0.37 0.00 0.00 177.43 176.33 2dmw h GLU 88 N 0.18 -0.81 -0.10 6.67 4.39 -0.93 -1.84 114.58 122.14 2dmw h GLU 88 Ca 0.76 0.06 -0.01 0.00 0.34 0.00 0.00 59.36 60.51 2dmw h GLU 88 Cb 2.22 0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 31.05 2dmw h GLU 88 CO -0.42 -0.54 0.03 -0.84 -1.16 0.00 0.00 179.01 176.07 2dmw h ILE 89 N -0.84 1.18 -0.91 3.13 3.07 -0.63 -2.33 117.51 120.17 2dmw h ILE 89 Ca -0.08 -0.53 0.26 0.00 1.55 0.00 0.00 64.86 66.05 2dmw h ILE 89 Cb 0.66 1.35 -0.15 0.00 -0.27 0.00 0.00 36.82 38.41 2dmw h ILE 89 CO 0.10 0.15 0.22 0.07 -1.05 0.00 0.00 178.15 177.65 2dmw h LYS 90 N -0.03 0.15 -0.16 0.16 2.10 -0.32 0.38 116.57 118.84 2dmw h LYS 90 Ca 0.03 -0.01 -0.07 0.00 -2.00 0.00 0.00 60.65 58.60 2dmw h LYS 90 Cb 0.22 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.51 2dmw h LYS 90 CO -0.00 0.10 -0.19 0.87 -2.00 0.00 0.00 179.45 178.23 2dmw h LYS 91 N 0.16 0.42 -0.69 0.07 1.57 -1.17 -1.47 116.57 115.46 2dmw h LYS 91 Ca 0.59 -0.23 0.04 0.00 -1.87 0.00 0.00 60.65 59.18 2dmw h LYS 91 Cb 1.23 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.51 2dmw h LYS 91 CO -0.71 0.80 0.46 0.00 -0.57 0.00 0.00 179.45 179.42 2dmw h ARG 92 N 0.06 0.77 0.24 3.15 3.08 -0.10 0.31 114.38 121.88 2dmw h ARG 92 Ca 0.02 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2dmw h ARG 92 Cb 0.74 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2dmw h ARG 92 CO 0.05 0.51 -0.11 0.35 -1.07 0.00 0.00 179.97 179.69 2dmw h PHE 93 N 0.79 -0.29 -0.09 3.04 3.04 -0.36 0.21 116.94 123.28 2dmw h PHE 93 Ca 0.28 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.25 2dmw h PHE 93 Cb 0.13 0.10 -0.00 0.00 2.56 0.00 0.00 35.95 38.73 2dmw h PHE 93 CO -0.00 0.02 0.07 -0.56 -2.02 0.00 0.00 178.31 175.82 2dmw h GLN 94 N -0.99 0.00 0.00 1.11 3.07 -1.13 1.28 115.11 118.46 2dmw h GLN 94 Ca -0.03 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.61 2dmw h GLN 94 Cb 0.44 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.99 2dmw h GLN 94 CO 0.05 0.00 -0.91 1.15 0.09 0.00 0.00 178.83 179.21 2dmw h THR 95 N 0.00 0.49 0.00 1.86 2.02 -0.42 -2.98 112.91 113.88 2dmw h THR 95 Ca 0.04 -1.81 0.00 0.00 0.77 0.00 0.00 66.41 65.42 2dmw h THR 95 Cb 0.19 2.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 2dmw h THR 95 CO -0.00 0.28 -0.29 0.41 0.37 0.00 0.00 175.52 176.29 2dmw n THR 96 N -2.98 0.44 -1.58 3.16 -1.04 0.06 -4.73 114.28 107.60 2dmw n THR 96 Ca -0.03 0.39 -0.18 0.00 -2.04 0.00 0.00 64.05 62.20 2dmw n THR 96 Cb 0.73 -1.75 0.12 0.00 -1.82 0.00 0.00 70.33 67.61 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 -3.07 2.15 0.09 -1.42 4.01 0.41 -4.77 117.16 114.56 2dmw n TYR 97 Ca -0.04 -2.12 -0.04 0.00 -0.16 0.00 0.00 57.90 55.54 2dmw n TYR 97 Cb 0.15 -0.69 -0.02 0.00 -0.31 0.00 0.00 39.34 38.48 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 1.56 -0.27 -0.24 2.72 0.00 -0.35 -2.58 103.07 103.91 2dmw h GLY 98 Ca 0.37 0.10 0.15 0.00 0.00 0.00 0.00 47.33 47.95 2dmw h GLY 98 CO 0.80 -0.10 -0.03 1.48 0.00 0.00 0.00 176.54 178.69 2dmw h SER 99 N -0.50 -0.38 -0.74 0.19 4.64 -1.86 0.33 113.55 115.23 2dmw h SER 99 Ca -0.03 0.18 0.07 0.00 -0.47 0.00 0.00 61.79 61.55 2dmw h SER 99 Cb 0.20 0.33 -0.05 0.00 -0.31 0.00 0.00 62.40 62.57 2dmw h SER 99 CO 0.04 -0.16 0.49 0.03 -0.87 0.00 0.00 176.83 176.36 2dmw h ARG 100 N 0.08 0.71 0.00 4.77 -0.00 -1.90 0.98 114.38 119.02 2dmw h ARG 100 Ca 0.36 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.79 2dmw h ARG 100 Cb 0.59 -0.16 0.00 0.00 0.00 0.00 0.00 29.97 30.40 2dmw h ARG 100 CO -0.62 0.47 0.00 0.00 0.00 0.00 0.00 179.97 179.83 2dmw n ALA 101 N -2.45 0.99 0.37 0.04 0.00 0.12 0.12 120.51 119.70 2dmw n ALA 101 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.67 2dmw n ALA 101 Cb 0.26 -0.99 0.08 0.00 0.00 0.00 0.00 19.45 18.80 2dmw n ALA 101 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2dmw h GLN 102 N 0.00 0.00 0.00 0.00 1.08 -0.76 -3.43 115.11 112.00 2dmw h GLN 102 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2dmw h GLN 102 Cb 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 2dmw h GLN 102 CO 0.00 0.00 -0.13 0.25 -0.95 0.00 0.00 178.83 178.00 2dmw n THR 103 N -2.35 0.43 -0.90 -0.54 -2.24 0.68 -5.10 114.28 104.26 2dmw n THR 103 Ca 0.02 0.14 -0.30 0.00 -2.27 0.00 0.00 64.05 61.64 2dmw n THR 103 Cb 0.49 -1.01 0.02 0.00 -2.10 0.00 0.00 70.33 67.73 2dmw n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dmw n ALA 104 N -3.29 -3.69 -1.16 6.98 0.00 0.33 -4.91 120.51 114.77 2dmw n ALA 104 Ca 0.00 -0.26 -0.28 0.00 0.00 0.00 0.00 53.44 52.89 2dmw n ALA 104 Cb 0.07 -1.02 0.18 0.00 0.00 0.00 0.00 19.45 18.67 2dmw n ALA 104 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2dmw s PRO 105 N -1.14 0.30 0.09 0.00 0.04 -1.26 -4.83 135.00 128.20 2dmw s PRO 105 Ca 0.39 0.48 0.18 0.00 0.04 0.00 0.00 61.00 62.08 2dmw s PRO 105 Cb -0.28 -1.73 0.74 0.00 0.04 0.00 0.00 34.50 33.28 2dmw s PRO 105 CO 0.58 -2.81 1.55 -0.35 0.04 0.00 0.00 177.00 176.01 2dmw n PRO 106 N -4.22 0.07 -2.54 0.56 -0.04 -1.26 -3.11 135.00 124.45 2dmw n PRO 106 Ca 0.05 0.32 -0.18 0.00 -0.04 0.00 0.00 63.50 63.65 2dmw n PRO 106 Cb 0.57 -1.64 0.02 0.00 -0.04 0.00 0.00 33.50 32.42 2dmw n PRO 106 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2dmw n TYR 107 N -1.77 2.34 -0.08 0.54 4.02 -1.26 -3.23 117.16 117.72 2dmw n TYR 107 Ca 0.03 -2.87 -0.10 0.00 -0.01 0.00 0.00 57.90 54.95 2dmw n TYR 107 Cb 0.19 -0.23 -0.03 0.00 -0.02 0.00 0.00 39.34 39.25 2dmw n TYR 107 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2dmw n ALA 108 N -0.34 1.14 -1.42 -0.72 0.00 -1.18 -4.63 120.51 113.37 2dmw n ALA 108 Ca 0.25 -0.76 -0.33 0.00 0.00 0.00 0.00 53.44 52.60 2dmw n ALA 108 Cb 0.75 0.07 0.05 0.00 0.00 0.00 0.00 19.45 20.33 2dmw n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dmw n MET 109 N -4.33 2.56 0.06 0.00 0.00 -1.26 -4.45 117.12 109.69 2dmw n MET 109 Ca -0.17 -3.03 -0.18 0.00 0.00 0.00 0.00 57.70 54.33 2dmw n MET 109 Cb 0.51 -2.18 -0.14 0.00 0.00 0.00 0.00 33.22 31.41 2dmw n MET 109 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 175.97 175.00 2dmw h ASN 110 N 2.23 0.41 0.16 3.17 -1.24 -1.82 -3.19 115.58 115.30 2dmw h ASN 110 Ca 0.54 -0.60 -0.01 0.00 0.71 0.00 0.00 56.30 56.94 2dmw h ASN 110 Cb 0.63 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.55 2dmw h ASN 110 CO 1.39 1.50 -0.08 0.28 -1.29 0.00 0.00 177.43 179.24 2dmw h SER 111 N 0.07 -0.19 -0.50 1.15 0.02 -1.93 0.27 113.55 112.44 2dmw h SER 111 Ca -0.27 0.01 0.09 0.00 -0.84 0.00 0.00 61.79 60.78 2dmw h SER 111 Cb 2.03 0.05 -0.10 0.00 0.14 0.00 0.00 62.40 64.52 2dmw h SER 111 CO 0.16 -0.02 -0.37 -0.33 -1.14 0.00 0.00 176.83 175.13 2dmw h GLU 112 N -0.44 -0.22 0.38 3.45 4.39 -1.88 -1.94 114.58 118.31 2dmw h GLU 112 Ca -0.02 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2dmw h GLU 112 Cb 0.17 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2dmw h GLU 112 CO 0.04 -0.15 -0.18 0.35 -1.16 0.00 0.00 179.01 177.91 2dmw h PHE 113 N -0.23 -0.48 -0.80 4.33 3.57 -1.69 -2.43 116.94 119.22 2dmw h PHE 113 Ca 0.19 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.82 2dmw h PHE 113 Cb 0.56 0.16 -0.14 0.00 2.79 0.00 0.00 35.95 39.32 2dmw h PHE 113 CO -0.62 -0.28 -0.26 0.45 -2.23 0.00 0.00 178.31 175.37 2dmw n SER 114 N -5.30 -0.41 0.04 0.41 2.88 0.09 0.38 113.62 111.70 2dmw n SER 114 Ca -0.11 1.38 -0.13 0.00 -1.33 0.00 0.00 58.87 58.69 2dmw n SER 114 Cb 0.23 -0.36 -0.08 0.00 -0.75 0.00 0.00 64.21 63.24 2dmw n SER 114 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2dmw h SER 115 N 0.00 -0.06 -0.24 -3.46 0.87 -1.30 -2.38 113.55 106.97 2dmw h SER 115 Ca 0.32 -0.23 0.06 0.00 -1.23 0.00 0.00 61.79 60.71 2dmw h SER 115 Cb 0.52 0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 62.43 2dmw h SER 115 CO -0.80 0.20 -0.30 0.58 -0.53 0.00 0.00 176.83 175.97 2dmw h VAL 116 N -0.33 0.29 -0.31 2.23 2.07 0.42 -1.88 116.25 118.74 2dmw h VAL 116 Ca -0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.57 2dmw h VAL 116 Cb 0.29 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 2dmw h VAL 116 CO 0.01 0.00 -0.08 -0.07 0.02 0.00 0.00 177.57 177.45 2dmw h LEU 117 N -0.32 -0.29 -0.76 2.57 3.38 -0.52 -1.73 115.31 117.64 2dmw h LEU 117 Ca 0.13 0.09 0.17 0.00 0.09 0.00 0.00 57.88 58.37 2dmw h LEU 117 Cb 0.52 0.19 -0.13 0.00 0.09 0.00 0.00 40.66 41.34 2dmw h LEU 117 CO -0.42 -0.10 0.08 0.00 0.09 0.00 0.00 178.44 178.09 2dmw h ALA 118 N 1.31 0.88 -0.66 1.53 0.00 -0.81 0.20 119.26 121.70 2dmw h ALA 118 Ca 0.15 0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 2dmw h ALA 118 Cb 0.23 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2dmw h ALA 118 CO -0.32 -0.41 0.25 0.00 0.00 0.00 0.00 179.25 178.77 2dmw h ALA 119 N 1.68 0.86 -0.52 0.00 0.00 -0.74 -0.97 119.26 119.57 2dmw h ALA 119 Ca 0.43 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 2dmw h ALA 119 Cb 0.76 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2dmw h ALA 119 CO -0.62 0.50 0.08 1.96 0.00 0.00 0.00 179.25 181.17 2dmw h GLN 120 N 0.95 0.83 0.45 0.00 1.08 -0.04 0.05 115.11 118.42 2dmw h GLN 120 Ca 0.22 -0.19 -0.02 0.00 -1.45 0.00 0.00 58.65 57.20 2dmw h GLN 120 Cb 0.23 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 2dmw h GLN 120 CO -0.02 0.78 -0.22 -0.07 -0.95 0.00 0.00 178.83 178.36 2dmw h LEU 121 N 0.79 -0.51 -0.73 1.46 3.38 -0.41 -1.25 115.31 118.03 2dmw h LEU 121 Ca 0.17 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.26 2dmw h LEU 121 Cb 0.37 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.17 2dmw h LEU 121 CO 0.01 -0.15 0.34 0.11 0.09 0.00 0.00 178.44 178.84 2dmw h LYS 122 N -1.04 0.54 0.96 1.13 1.57 -1.22 0.72 116.57 119.23 2dmw h LYS 122 Ca -0.06 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 2dmw h LYS 122 Cb 0.46 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.66 2dmw h LYS 122 CO 0.10 0.35 -0.46 1.25 -0.57 0.00 0.00 179.45 180.12 2dmw h HIS 123 N 0.55 -1.20 0.18 -1.35 2.76 -1.05 -3.30 115.15 111.74 2dmw h HIS 123 Ca 0.38 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.52 2dmw h HIS 123 Cb 0.47 0.40 -0.02 0.00 1.55 0.00 0.00 27.41 29.80 2dmw h HIS 123 CO -0.12 -0.75 -0.34 0.45 -1.30 0.00 0.00 177.93 175.87 2dmw h HIS 124 N -1.34 -0.96 -3.20 5.26 3.86 -0.92 -3.43 115.15 114.43 2dmw h HIS 124 Ca -0.13 0.02 -0.40 0.00 -1.16 0.00 0.00 60.37 58.70 2dmw h HIS 124 Cb 0.99 0.40 0.21 0.00 1.06 0.00 0.00 27.41 30.07 2dmw h HIS 124 CO 0.00 -0.41 -0.03 -1.54 0.86 0.00 0.00 177.93 176.81 2dmw s SER 125 N -3.76 -0.26 -0.30 2.45 1.04 0.22 -5.00 113.70 108.10 2dmw s SER 125 Ca -0.11 0.90 0.15 0.00 0.48 0.00 0.00 55.95 57.37 2dmw s SER 125 Cb 0.03 -1.30 0.48 0.00 0.10 0.00 0.00 66.02 65.34 2dmw s SER 125 CO 0.39 -4.88 1.11 -1.20 0.98 0.00 0.00 173.24 169.64 2dmw n SER 126 N -5.31 2.96 0.00 7.02 7.64 -1.26 -4.83 113.62 119.84 2dmw n SER 126 Ca 0.11 -2.86 0.00 0.00 1.01 0.00 0.00 58.87 57.13 2dmw n SER 126 Cb 0.59 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2dmw n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmw n GLY 127 N -0.54 1.12 2.64 0.23 0.00 -1.26 -4.86 105.19 102.51 2dmw n GLY 127 Ca 0.23 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.02 2dmw n GLY 127 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmw n PRO 128 N -0.88 -2.63 -3.65 1.61 -0.04 -1.26 -4.37 135.00 123.79 2dmw n PRO 128 Ca 0.00 -1.32 -0.21 0.00 -0.04 0.00 0.00 63.50 61.93 2dmw n PRO 128 Cb 0.00 -1.24 0.05 0.00 -0.04 0.00 0.00 33.50 32.27 2dmw n PRO 128 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dmw n SER 129 N -4.41 -1.80 -0.07 3.54 7.64 -1.26 -4.91 113.62 112.35 2dmw n SER 129 Ca 0.11 -0.76 -0.12 0.00 1.01 0.00 0.00 58.87 59.12 2dmw n SER 129 Cb 0.44 -4.33 -0.05 0.00 -1.01 0.00 0.00 64.21 59.26 2dmw n SER 129 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2dmw h SER 130 N -1.92 0.43 0.00 6.43 0.02 -1.94 -3.53 113.55 113.04 2dmw h SER 130 Ca -0.60 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 59.97 2dmw h SER 130 Cb 1.36 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2dmw h SER 130 CO 0.56 0.71 0.00 0.61 -1.14 0.00 0.00 176.83 177.56