#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmw s SER 2 N 0.00 3.08 -0.15 1.61 0.01 -1.26 -5.11 113.70 111.89 2dmw s SER 2 Ca 0.00 -0.76 -0.30 0.00 1.31 0.00 0.00 55.95 56.20 2dmw s SER 2 Cb 0.00 -1.06 0.12 0.00 0.21 0.00 0.00 66.02 65.30 2dmw s SER 2 CO 0.00 -0.17 0.98 -0.94 0.41 0.00 0.00 173.24 173.52 2dmw s SER 3 N 1.53 -0.38 0.00 2.44 1.04 -1.26 -5.09 113.70 111.97 2dmw s SER 3 Ca -0.00 0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.83 2dmw s SER 3 Cb -0.16 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.28 2dmw s SER 3 CO -0.08 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.39 2dmw n GLY 4 N 0.70 -0.61 3.54 7.32 0.00 -1.26 -5.15 105.19 109.73 2dmw n GLY 4 Ca -0.11 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2dmw n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmw s SER 5 N 0.00 -0.89 0.59 1.61 1.04 -1.26 -5.17 113.70 109.63 2dmw s SER 5 Ca 0.00 1.22 -0.09 0.00 0.48 0.00 0.00 55.95 57.56 2dmw s SER 5 Cb 0.00 2.00 -0.02 0.00 0.10 0.00 0.00 66.02 68.09 2dmw s SER 5 CO 0.00 -0.17 0.96 -0.44 0.98 0.00 0.00 173.24 174.57 2dmw s SER 6 N 2.67 6.02 0.00 7.02 0.01 -1.26 -5.06 113.70 123.10 2dmw s SER 6 Ca -0.05 1.15 0.00 0.00 1.31 0.00 0.00 55.95 58.36 2dmw s SER 6 Cb -0.09 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 63.92 2dmw s SER 6 CO -0.18 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.18 2dmw n GLY 7 N -2.64 -0.96 3.56 3.44 0.00 -1.26 -5.14 105.19 102.19 2dmw n GLY 7 Ca 0.04 0.83 -0.38 0.00 0.00 0.00 0.00 46.02 46.52 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 0.00 3.85 0.41 1.61 1.00 -1.26 -4.96 119.30 119.95 2dmw s MET 8 Ca 0.00 -0.38 0.06 0.00 0.00 0.00 0.00 55.69 55.37 2dmw s MET 8 Cb 0.00 -3.63 0.06 0.00 0.00 0.00 0.00 34.83 31.26 2dmw s MET 8 CO 0.00 -0.21 0.50 0.00 0.00 0.00 0.00 175.02 175.31 2dmw n ALA 9 N 5.04 0.81 -1.47 3.03 0.00 -1.26 -4.41 120.51 122.26 2dmw n ALA 9 Ca -0.14 -1.53 -0.50 0.00 0.00 0.00 0.00 53.44 51.27 2dmw n ALA 9 Cb 0.52 0.48 -0.04 0.00 0.00 0.00 0.00 19.45 20.40 2dmw n ALA 9 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2dmw n ILE 10 N -1.78 1.46 0.00 0.00 5.41 -1.26 -4.68 119.36 118.51 2dmw n ILE 10 Ca 0.08 -0.37 0.00 0.00 1.00 0.00 0.00 62.75 63.47 2dmw n ILE 10 Cb 0.44 -0.24 0.00 0.00 -0.71 0.00 0.00 39.64 39.12 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 1.81 2.11 -4.45 1.39 4.77 -1.14 -4.93 117.00 116.56 2dmw n LEU 11 Ca 0.17 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.81 2dmw n LEU 11 Cb 0.23 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.19 2dmw n LEU 11 CO 0.58 0.35 -0.38 0.12 -1.33 0.00 0.00 177.39 176.73 2dmw s PHE 12 N -1.72 2.97 -0.24 -1.77 5.36 -1.19 -2.32 117.98 119.07 2dmw s PHE 12 Ca 0.00 -0.45 -0.04 0.00 -0.96 0.00 0.00 56.93 55.48 2dmw s PHE 12 Cb 0.00 -1.95 0.13 0.00 -0.34 0.00 0.00 43.02 40.86 2dmw s PHE 12 CO 0.00 -0.14 0.42 0.00 -1.46 0.00 0.00 175.22 174.04 2dmw s ALA 13 N 0.50 -1.25 0.03 11.12 0.00 -1.24 -1.37 121.76 129.54 2dmw s ALA 13 Ca -0.05 1.21 0.01 0.00 0.00 0.00 0.00 51.96 53.13 2dmw s ALA 13 Cb -0.15 -1.63 -0.02 0.00 0.00 0.00 0.00 23.12 21.32 2dmw s ALA 13 CO 0.03 -1.12 -0.05 0.14 0.00 0.00 0.00 175.76 174.76 2dmw s VAL 14 N 2.61 0.32 -0.20 0.00 -7.23 -0.98 -3.28 120.40 111.63 2dmw s VAL 14 Ca 0.09 -0.99 -0.06 0.00 -1.81 0.00 0.00 61.98 59.22 2dmw s VAL 14 Cb -0.14 -0.43 -0.03 0.00 0.56 0.00 0.00 36.38 36.34 2dmw s VAL 14 CO -0.16 -0.44 0.03 -0.69 -0.31 0.00 0.00 175.10 173.53 2dmw s VAL 15 N -1.41 4.20 -0.09 1.32 1.01 -0.43 -2.79 120.40 122.21 2dmw s VAL 15 Ca -0.13 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 2dmw s VAL 15 Cb -0.10 -2.91 0.04 0.00 0.00 0.00 0.00 36.38 33.41 2dmw s VAL 15 CO -0.00 0.42 0.21 0.00 0.00 0.00 0.00 175.10 175.72 2dmw s ALA 16 N 0.96 -0.46 -0.80 5.51 0.00 0.27 -1.96 121.76 125.28 2dmw s ALA 16 Ca 0.02 0.81 -0.19 0.00 0.00 0.00 0.00 51.96 52.60 2dmw s ALA 16 Cb -0.14 -0.51 0.12 0.00 0.00 0.00 0.00 23.12 22.59 2dmw s ALA 16 CO 0.02 -0.16 0.97 -0.98 0.00 0.00 0.00 175.76 175.61 2dmw s ARG 17 N 0.98 3.40 1.03 0.00 1.70 -0.53 -0.76 118.95 124.75 2dmw s ARG 17 Ca -0.07 -1.59 0.00 0.00 -0.47 0.00 0.00 55.73 53.60 2dmw s ARG 17 Cb -0.09 -4.60 0.00 0.00 -0.57 0.00 0.00 34.95 29.69 2dmw s ARG 17 CO -0.06 -1.68 0.00 0.41 -1.08 0.00 0.00 175.30 172.89 2dmw n GLY 18 N 5.24 2.20 0.00 3.88 0.00 -1.26 -3.01 105.19 112.24 2dmw n GLY 18 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 -3.27 2.61 -2.24 -1.26 -4.35 114.28 105.78 2dmw n THR 19 Ca 0.00 -0.23 -0.40 0.00 -2.27 0.00 0.00 64.05 61.15 2dmw n THR 19 Cb 0.00 1.24 -0.08 0.00 -2.10 0.00 0.00 70.33 69.39 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 -0.25 5.09 -0.95 4.28 2.01 -1.16 -5.01 115.64 119.64 2dmw s THR 20 Ca 0.00 0.81 -0.21 0.00 0.31 0.00 0.00 61.69 62.60 2dmw s THR 20 Cb 0.00 -3.80 0.09 0.00 0.01 0.00 0.00 72.50 68.80 2dmw s THR 20 CO 0.00 0.10 1.26 -0.63 -0.69 0.00 0.00 174.62 174.66 2dmw s ILE 21 N 2.26 4.34 0.06 1.82 1.01 -1.26 -1.46 121.20 127.97 2dmw s ILE 21 Ca 0.20 -1.12 -0.27 0.00 0.00 0.00 0.00 60.65 59.46 2dmw s ILE 21 Cb -0.16 -4.90 -0.17 0.00 0.01 0.00 0.00 42.46 37.24 2dmw s ILE 21 CO 0.09 -1.70 1.59 -0.07 0.00 0.00 0.00 174.94 174.86 2dmw h LEU 22 N 11.55 -0.34 -7.97 2.97 3.38 -1.38 -3.40 115.31 120.11 2dmw h LEU 22 Ca 0.14 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 2dmw h LEU 22 Cb 1.02 0.09 -0.19 0.00 0.09 0.00 0.00 40.66 41.66 2dmw h LEU 22 CO 1.25 -0.18 -0.63 0.00 0.09 0.00 0.00 178.44 178.97 2dmw s ALA 23 N -5.82 0.08 -0.17 1.53 0.00 -0.83 -3.85 121.76 112.69 2dmw s ALA 23 Ca -0.15 -0.60 -0.14 0.00 0.00 0.00 0.00 51.96 51.07 2dmw s ALA 23 Cb 0.04 0.18 0.05 0.00 0.00 0.00 0.00 23.12 23.39 2dmw s ALA 23 CO 0.63 -0.23 0.45 -1.59 0.00 0.00 0.00 175.76 175.02 2dmw s LYS 24 N -2.01 0.50 -0.30 0.00 -2.85 -1.26 -1.31 119.74 112.50 2dmw s LYS 24 Ca -0.11 0.70 -0.03 0.00 -1.00 0.00 0.00 55.97 55.54 2dmw s LYS 24 Cb -0.05 0.17 0.19 0.00 -2.06 0.00 0.00 37.83 36.07 2dmw s LYS 24 CO -0.03 -0.10 0.66 -1.58 0.10 0.00 0.00 175.35 174.41 2dmw s HIS 25 N 0.65 -1.47 0.25 1.78 2.46 -1.20 -4.88 115.29 112.88 2dmw s HIS 25 Ca -0.03 1.58 0.04 0.00 0.47 0.00 0.00 55.06 57.11 2dmw s HIS 25 Cb -0.05 0.52 -0.05 0.00 -0.13 0.00 0.00 32.58 32.87 2dmw s HIS 25 CO -0.04 -0.80 -0.01 0.00 -2.47 0.00 0.00 174.74 171.42 2dmw s ALA 26 N 2.87 2.00 0.62 1.58 0.00 -1.26 -3.71 121.76 123.86 2dmw s ALA 26 Ca 0.18 -1.84 -0.15 0.00 0.00 0.00 0.00 51.96 50.15 2dmw s ALA 26 Cb -0.14 0.46 -0.02 0.00 0.00 0.00 0.00 23.12 23.41 2dmw s ALA 26 CO -0.20 -0.22 1.08 -1.58 0.00 0.00 0.00 175.76 174.84 2dmw s TRP 27 N -3.32 2.86 -0.25 0.00 0.52 -0.98 -4.97 118.94 112.80 2dmw s TRP 27 Ca 0.30 1.52 -0.29 0.00 0.02 0.00 0.00 56.10 57.65 2dmw s TRP 27 Cb 0.06 -3.06 -0.01 0.00 -1.15 0.00 0.00 33.47 29.31 2dmw s TRP 27 CO 0.10 -1.33 1.33 0.00 0.02 0.00 0.00 176.95 177.07 2dmw n GLY 29 N 4.16 -0.66 0.00 0.00 0.00 -1.26 -5.09 105.19 102.34 2dmw n GLY 29 Ca 0.15 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.19 3.39 3.17 -0.02 0.00 -1.26 -5.14 105.19 104.14 2dmw n GLY 30 Ca 0.00 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 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 0.27 4.75 -0.05 1.61 2.20 -1.26 -4.93 114.94 117.54 2dmw s ASN 31 Ca 0.00 -1.21 0.16 0.00 -0.94 0.00 0.00 52.86 50.87 2dmw s ASN 31 Cb 0.00 -1.69 -0.24 0.00 -2.00 0.00 0.00 41.25 37.32 2dmw s ASN 31 CO 0.00 -0.23 0.30 0.49 -2.94 0.00 0.00 177.10 174.72 2dmw n PHE 32 N 4.61 0.00 -0.24 1.54 3.72 -1.26 -4.53 117.46 121.30 2dmw n PHE 32 Ca -0.14 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.31 2dmw n PHE 32 Cb 0.44 -0.44 0.16 0.00 -0.94 0.00 0.00 39.48 38.69 2dmw n PHE 32 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2dmw h LEU 33 N 0.00 -0.19 -0.01 4.37 5.85 -1.98 0.95 115.31 124.32 2dmw h LEU 33 Ca -0.08 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2dmw h LEU 33 Cb 0.96 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 2dmw h LEU 33 CO 0.00 -0.11 -0.07 -0.08 -0.34 0.00 0.00 178.44 177.84 2dmw h GLU 34 N 0.17 -0.08 -0.87 1.25 4.81 -2.00 0.28 114.58 118.14 2dmw h GLU 34 Ca 0.40 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.77 2dmw h GLU 34 Cb 0.69 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.99 2dmw h GLU 34 CO -0.57 -0.05 0.47 -0.24 -0.73 0.00 0.00 179.01 177.89 2dmw h VAL 35 N -0.08 0.77 -0.88 0.32 3.04 -1.75 -0.56 116.25 117.12 2dmw h VAL 35 Ca 0.00 -0.24 0.06 0.00 -1.01 0.00 0.00 66.70 65.52 2dmw h VAL 35 Cb 0.09 0.02 -0.06 0.00 -2.01 0.00 0.00 31.29 29.33 2dmw h VAL 35 CO -0.05 0.13 0.55 0.74 -1.01 0.00 0.00 177.57 177.93 2dmw h THR 36 N 0.69 1.05 -0.18 3.17 2.02 -0.23 -1.23 112.91 118.21 2dmw h THR 36 Ca 0.46 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 2dmw h THR 36 Cb 0.61 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2dmw h THR 36 CO -0.34 0.18 0.06 -0.33 0.37 0.00 0.00 175.52 175.47 2dmw h GLU 37 N 1.00 0.28 -0.84 6.66 5.08 0.11 0.86 114.58 127.73 2dmw h GLU 37 Ca 0.38 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.73 2dmw h GLU 37 Cb 0.16 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 2dmw h GLU 37 CO -0.17 0.38 0.53 1.96 -1.00 0.00 0.00 179.01 180.70 2dmw h GLN 38 N 0.12 0.97 -0.21 2.33 1.08 -0.94 -2.13 115.11 116.33 2dmw h GLN 38 Ca 0.06 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 57.11 2dmw h GLN 38 Cb 0.21 -0.22 -0.00 0.00 -0.05 0.00 0.00 27.48 27.42 2dmw h GLN 38 CO -0.00 0.64 -0.24 0.82 -0.95 0.00 0.00 178.83 179.10 2dmw h ILE 39 N 1.00 1.33 -0.55 2.54 1.08 -1.06 -3.22 117.51 118.62 2dmw h ILE 39 Ca 0.35 -1.42 0.11 0.00 -0.39 0.00 0.00 64.86 63.50 2dmw h ILE 39 Cb 0.08 1.77 -0.09 0.00 -3.07 0.00 0.00 36.82 35.51 2dmw h ILE 39 CO -0.14 0.44 0.05 -0.07 -0.69 0.00 0.00 178.15 177.73 2dmw h LEU 40 N 0.21 -0.14 -0.96 1.44 3.38 -0.44 0.51 115.31 119.32 2dmw h LEU 40 Ca 0.03 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2dmw h LEU 40 Cb 0.80 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2dmw h LEU 40 CO 0.06 -0.05 0.14 0.00 0.09 0.00 0.00 178.44 178.68 2dmw n ALA 41 N -2.66 0.83 -0.08 1.53 0.00 -0.84 -0.66 120.51 118.64 2dmw n ALA 41 Ca 0.07 0.13 -0.08 0.00 0.00 0.00 0.00 53.44 53.57 2dmw n ALA 41 Cb 0.30 -1.01 -0.13 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.02 1.36 -1.84 0.00 5.02 0.16 -4.96 118.16 115.88 2dmw n LYS 42 Ca -0.01 -0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.85 2dmw n LYS 42 Cb 0.16 -1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 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 -2.40 2.85 0.66 -0.18 1.01 0.17 -4.99 121.20 118.31 2dmw s ILE 43 Ca -0.08 0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.76 2dmw s ILE 43 Cb 0.05 -3.19 0.16 0.00 0.01 0.00 0.00 42.46 39.49 2dmw s ILE 43 CO 0.66 -0.00 0.58 -0.81 0.00 0.00 0.00 174.94 175.37 2dmw n PRO 44 N 5.75 -2.17 -0.30 2.79 -0.04 -1.26 -4.86 135.00 134.91 2dmw n PRO 44 Ca 0.17 -0.93 0.06 0.00 -0.04 0.00 0.00 63.50 62.75 2dmw n PRO 44 Cb 0.40 -0.88 0.08 0.00 -0.04 0.00 0.00 33.50 33.06 2dmw n PRO 44 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dmw n SER 45 N -4.01 1.35 -4.88 3.54 3.41 -1.26 -4.81 113.62 106.96 2dmw n SER 45 Ca 0.08 -2.65 -0.36 0.00 -0.26 0.00 0.00 58.87 55.68 2dmw n SER 45 Cb 0.31 -0.34 -0.06 0.00 -0.26 0.00 0.00 64.21 63.87 2dmw n SER 45 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2dmw s GLU 46 N -1.67 3.48 -0.88 4.33 -1.05 -1.26 -4.65 118.70 117.01 2dmw s GLU 46 Ca 0.19 -0.14 -0.19 0.00 -0.15 0.00 0.00 54.97 54.68 2dmw s GLU 46 Cb 0.17 -3.15 -0.23 0.00 -0.44 0.00 0.00 34.13 30.48 2dmw s GLU 46 CO 0.01 0.73 2.33 0.09 0.95 0.00 0.00 175.26 179.38 2dmw n ASN 47 N 1.60 0.26 -3.61 0.83 4.13 -1.26 -4.74 115.26 112.48 2dmw n ASN 47 Ca -0.16 -0.81 -0.01 0.00 1.68 0.00 0.00 54.58 55.28 2dmw n ASN 47 Cb 0.54 -1.08 -0.01 0.00 -1.54 0.00 0.00 39.78 37.68 2dmw n ASN 47 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2dmw s ASN 48 N 6.10 -0.10 0.02 6.41 4.22 -1.26 -5.08 114.94 125.25 2dmw s ASN 48 Ca 1.15 -0.09 -0.08 0.00 -2.14 0.00 0.00 52.86 51.70 2dmw s ASN 48 Cb -0.57 0.17 0.00 0.00 1.28 0.00 0.00 41.25 42.13 2dmw s ASN 48 CO 0.36 -0.30 0.17 -1.59 -2.04 0.00 0.00 177.10 173.70 2dmw s LYS 49 N -2.47 0.60 -0.01 3.55 -2.85 -1.26 -3.31 119.74 114.00 2dmw s LYS 49 Ca 0.12 -0.54 -0.14 0.00 -1.00 0.00 0.00 55.97 54.41 2dmw s LYS 49 Cb 0.02 0.25 0.02 0.00 -2.06 0.00 0.00 37.83 36.06 2dmw s LYS 49 CO -0.04 -0.16 0.29 -1.17 0.10 0.00 0.00 175.35 174.37 2dmw s LEU 50 N -1.81 0.94 -0.40 2.77 0.20 -1.26 -5.09 118.68 114.03 2dmw s LEU 50 Ca -0.09 0.02 -0.23 0.00 0.69 0.00 0.00 54.13 54.52 2dmw s LEU 50 Cb -0.04 1.21 0.02 0.00 -0.43 0.00 0.00 46.19 46.95 2dmw s LEU 50 CO -0.02 -0.46 0.77 -0.89 -0.29 0.00 0.00 176.35 175.47 2dmw s THR 51 N -1.46 4.70 -0.26 3.68 2.01 -1.26 -4.05 115.64 119.00 2dmw s THR 51 Ca -0.13 0.65 -0.10 0.00 0.31 0.00 0.00 61.69 62.42 2dmw s THR 51 Cb -0.05 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 2dmw s THR 51 CO 0.03 -0.56 0.14 -0.47 -0.69 0.00 0.00 174.62 173.07 2dmw s TYR 52 N 3.16 3.19 -0.37 4.92 6.14 -0.52 -5.02 117.35 128.86 2dmw s TYR 52 Ca 0.30 -0.04 -0.12 0.00 0.64 0.00 0.00 57.07 57.85 2dmw s TYR 52 Cb -0.13 -2.31 0.01 0.00 0.42 0.00 0.00 41.96 39.96 2dmw s TYR 52 CO 0.20 -0.18 0.22 -1.54 0.64 0.00 0.00 175.55 174.89 2dmw s SER 53 N 1.56 5.83 -0.07 4.32 1.04 -1.26 0.47 113.70 125.60 2dmw s SER 53 Ca 0.07 -0.80 0.05 0.00 0.48 0.00 0.00 55.95 55.74 2dmw s SER 53 Cb -0.15 -2.07 -0.01 0.00 0.10 0.00 0.00 66.02 63.88 2dmw s SER 53 CO 0.07 -0.34 -0.21 -2.28 0.98 0.00 0.00 173.24 171.46 2dmw s HIS 54 N 1.62 2.55 0.00 5.02 2.46 -0.90 -4.97 115.29 121.07 2dmw s HIS 54 Ca 0.04 -0.59 0.00 0.00 0.47 0.00 0.00 55.06 54.98 2dmw s HIS 54 Cb -0.18 -1.64 0.00 0.00 -0.13 0.00 0.00 32.58 30.62 2dmw s HIS 54 CO 0.08 -0.13 0.00 0.41 -2.47 0.00 0.00 174.74 172.63 2dmw n GLY 55 N 2.90 1.28 2.23 1.59 0.00 -1.26 -0.66 105.19 111.26 2dmw n GLY 55 Ca -0.17 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.97 7.00 -3.67 1.61 4.13 -1.26 -4.89 115.26 117.22 2dmw n ASN 56 Ca 0.00 -3.41 -0.14 0.00 1.68 0.00 0.00 54.58 52.72 2dmw n ASN 56 Cb 0.00 -1.06 -0.07 0.00 -1.54 0.00 0.00 39.78 37.11 2dmw n ASN 56 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2dmw s TYR 57 N -2.71 -0.30 -0.12 3.10 1.51 0.16 -4.23 117.35 114.77 2dmw s TYR 57 Ca 0.49 0.36 -0.13 0.00 -1.01 0.00 0.00 57.07 56.78 2dmw s TYR 57 Cb 0.37 0.22 -0.05 0.00 -0.11 0.00 0.00 41.96 42.40 2dmw s TYR 57 CO -0.08 -0.54 0.31 -0.51 -1.11 0.00 0.00 175.55 173.63 2dmw s LEU 58 N -1.73 4.31 -0.46 -1.29 1.43 -0.36 -2.13 118.68 118.46 2dmw s LEU 58 Ca -0.08 0.62 0.01 0.00 -1.03 0.00 0.00 54.13 53.65 2dmw s LEU 58 Cb -0.02 -2.40 0.12 0.00 0.03 0.00 0.00 46.19 43.92 2dmw s LEU 58 CO 0.01 0.18 0.22 -0.36 0.23 0.00 0.00 176.35 176.63 2dmw s PHE 59 N -0.05 3.52 -0.23 0.29 0.40 0.18 -2.09 117.98 119.99 2dmw s PHE 59 Ca 0.18 -2.81 -0.10 0.00 -0.60 0.00 0.00 56.93 53.61 2dmw s PHE 59 Cb -0.14 -3.05 -0.05 0.00 0.51 0.00 0.00 43.02 40.29 2dmw s PHE 59 CO 0.06 -0.89 0.13 -1.01 0.70 0.00 0.00 175.22 174.21 2dmw s HIS 60 N 0.52 3.26 -0.06 0.36 3.76 -1.21 -1.43 115.29 120.49 2dmw s HIS 60 Ca 0.13 0.10 0.04 0.00 -0.15 0.00 0.00 55.06 55.18 2dmw s HIS 60 Cb -0.22 -2.24 -0.00 0.00 1.11 0.00 0.00 32.58 31.23 2dmw s HIS 60 CO -0.04 0.00 -0.19 1.52 -0.85 0.00 0.00 174.74 175.18 2dmw s TYR 61 N 1.08 1.91 -0.09 1.40 -0.85 -1.26 -2.85 117.35 116.70 2dmw s TYR 61 Ca 0.06 -0.62 0.04 0.00 -0.52 0.00 0.00 57.07 56.04 2dmw s TYR 61 Cb -0.14 -1.29 -0.01 0.00 0.38 0.00 0.00 41.96 40.90 2dmw s TYR 61 CO 0.04 -0.23 -0.21 0.42 -1.52 0.00 0.00 175.55 174.05 2dmw s ILE 62 N 0.14 2.34 -0.05 -3.49 1.01 -1.14 -3.97 121.20 116.04 2dmw s ILE 62 Ca -0.08 -0.94 -0.04 0.00 0.00 0.00 0.00 60.65 59.59 2dmw s ILE 62 Cb -0.13 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 2dmw s ILE 62 CO 0.04 0.56 0.17 0.00 0.00 0.00 0.00 174.94 175.71 2dmw s GLN 64 N -1.62 0.19 -1.53 0.00 2.00 0.14 -4.56 119.66 114.28 2dmw s GLN 64 Ca 0.23 0.38 -0.14 0.00 -2.00 0.00 0.00 55.36 53.83 2dmw s GLN 64 Cb -0.12 0.13 0.09 0.00 0.80 0.00 0.00 33.01 33.90 2dmw s GLN 64 CO 0.14 -0.05 0.93 -3.47 -0.50 0.00 0.00 175.29 172.33 2dmw n ASP 65 N 3.96 -4.71 -1.55 6.67 2.03 -1.26 -0.07 116.55 121.62 2dmw n ASP 65 Ca -0.14 -0.75 -0.14 0.00 0.52 0.00 0.00 54.79 54.28 2dmw n ASP 65 Cb 0.56 -3.77 -0.01 0.00 -0.72 0.00 0.00 41.12 37.17 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 -4.58 -1.11 -4.84 -0.67 5.12 -1.26 -5.01 116.66 104.32 2dmw n ARG 66 Ca 0.04 0.73 -0.26 0.00 -1.93 0.00 0.00 57.85 56.43 2dmw n ARG 66 Cb 0.52 -4.99 -0.16 0.00 -1.16 0.00 0.00 32.46 26.67 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 -2.68 1.41 -0.06 0.55 -1.09 0.91 -4.38 121.20 115.85 2dmw s ILE 67 Ca 0.00 -0.73 0.05 0.00 -2.23 0.00 0.00 60.65 57.74 2dmw s ILE 67 Cb 0.00 -1.20 -0.02 0.00 -1.58 0.00 0.00 42.46 39.66 2dmw s ILE 67 CO 0.00 0.40 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.23 2dmw s VAL 68 N -0.12 2.56 -0.36 2.92 1.01 0.06 -0.68 120.40 125.79 2dmw s VAL 68 Ca -0.00 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.12 2dmw s VAL 68 Cb -0.10 -1.98 0.10 0.00 0.00 0.00 0.00 36.38 34.41 2dmw s VAL 68 CO 0.01 0.57 0.09 -0.31 0.00 0.00 0.00 175.10 175.47 2dmw s TYR 69 N -0.36 3.21 0.09 5.22 1.51 -0.76 -0.56 117.35 125.70 2dmw s TYR 69 Ca 0.03 -2.75 -0.05 0.00 -1.01 0.00 0.00 57.07 53.29 2dmw s TYR 69 Cb -0.12 -2.63 -0.05 0.00 -0.11 0.00 0.00 41.96 39.05 2dmw s TYR 69 CO 0.02 -0.90 0.33 -1.17 -1.11 0.00 0.00 175.55 172.72 2dmw s LEU 70 N 0.88 4.32 -0.20 -1.29 0.20 -1.12 -2.91 118.68 118.57 2dmw s LEU 70 Ca 0.12 0.57 -0.14 0.00 0.69 0.00 0.00 54.13 55.37 2dmw s LEU 70 Cb -0.20 -3.06 0.06 0.00 -0.43 0.00 0.00 46.19 42.56 2dmw s LEU 70 CO -0.10 0.13 0.49 0.00 -0.29 0.00 0.00 176.35 176.59 2dmw s ILE 72 N 0.96 5.24 0.31 0.00 1.09 -0.47 -3.34 121.20 124.99 2dmw s ILE 72 Ca -0.06 0.73 0.03 0.00 -1.10 0.00 0.00 60.65 60.26 2dmw s ILE 72 Cb -0.06 -3.72 -0.04 0.00 -1.06 0.00 0.00 42.46 37.58 2dmw s ILE 72 CO -0.08 0.34 0.12 0.42 -0.10 0.00 0.00 174.94 175.64 2dmw s THR 73 N 0.66 0.60 0.28 2.92 -4.23 -0.89 -2.87 115.64 112.12 2dmw s THR 73 Ca 0.21 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.47 2dmw s THR 73 Cb -0.14 -2.57 -0.09 0.00 1.34 0.00 0.00 72.50 71.03 2dmw s THR 73 CO 0.07 0.00 0.88 -0.62 -0.54 0.00 0.00 174.62 174.41 2dmw s ASP 74 N -3.42 7.31 0.30 3.99 2.15 -1.26 -1.22 116.67 124.51 2dmw s ASP 74 Ca 0.34 1.74 0.04 0.00 0.43 0.00 0.00 52.55 55.10 2dmw s ASP 74 Cb 0.06 -2.54 0.76 0.00 -0.30 0.00 0.00 42.92 40.90 2dmw s ASP 74 CO 0.15 -0.01 1.66 -2.24 -0.17 0.00 0.00 175.17 174.57 2dmw h ASP 75 N 3.39 0.14 -0.25 -0.34 3.04 -1.91 0.14 116.42 120.63 2dmw h ASP 75 Ca -0.47 0.19 0.02 0.00 -3.24 0.00 0.00 57.03 53.53 2dmw h ASP 75 Cb 1.19 0.22 -0.02 0.00 -1.04 0.00 0.00 39.33 39.68 2dmw h ASP 75 CO 0.65 -0.12 0.12 -0.78 -2.04 0.00 0.00 179.24 177.07 2dmw h ASP 76 N 0.27 0.17 -1.10 4.15 3.58 -1.92 -3.43 116.42 118.13 2dmw h ASP 76 Ca 0.58 0.01 -0.82 0.00 0.42 0.00 0.00 57.03 57.23 2dmw h ASP 76 Cb 1.18 -0.01 0.01 0.00 1.72 0.00 0.00 39.33 42.22 2dmw h ASP 76 CO -0.62 0.13 0.84 0.33 -2.88 0.00 0.00 179.24 177.04 2dmw n PHE 77 N -4.99 1.80 -2.02 0.28 7.35 0.50 -4.85 117.46 115.52 2dmw n PHE 77 Ca -0.02 0.88 -0.39 0.00 -0.76 0.00 0.00 57.45 57.17 2dmw n PHE 77 Cb 0.07 -2.32 0.01 0.00 0.35 0.00 0.00 39.48 37.58 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 3.57 3.68 0.14 -4.13 2.56 -1.26 -4.86 118.70 118.39 2dmw s GLU 78 Ca 1.04 2.09 -0.19 0.00 0.00 0.00 0.00 54.97 57.91 2dmw s GLU 78 Cb -1.33 -2.52 -0.00 0.00 2.00 0.00 0.00 34.13 32.27 2dmw s GLU 78 CO 0.74 -0.71 1.70 0.00 -0.56 0.00 0.00 175.26 176.43 2dmw h ARG 79 N 2.16 0.02 -0.78 4.30 -0.00 -1.93 -2.35 114.38 115.80 2dmw h ARG 79 Ca -0.50 -0.00 0.16 0.00 -0.50 0.00 0.00 59.98 59.14 2dmw h ARG 79 Cb 1.26 -0.00 -0.15 0.00 0.00 0.00 0.00 29.97 31.08 2dmw h ARG 79 CO 0.60 0.01 -0.16 1.03 0.00 0.00 0.00 179.97 181.45 2dmw h SER 80 N 0.02 -0.67 0.52 7.04 0.87 -1.99 0.81 113.55 120.16 2dmw h SER 80 Ca 0.12 0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.89 2dmw h SER 80 Cb 0.17 0.46 -0.02 0.00 -0.44 0.00 0.00 62.40 62.57 2dmw h SER 80 CO -0.23 -0.25 -0.44 0.03 -0.53 0.00 0.00 176.83 175.41 2dmw h ARG 81 N 0.01 -0.91 -0.05 2.24 3.08 -1.81 -0.59 114.38 116.34 2dmw h ARG 81 Ca 0.38 0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.53 2dmw h ARG 81 Cb 0.60 0.21 -0.06 0.00 0.08 0.00 0.00 29.97 30.80 2dmw h ARG 81 CO -0.78 -0.61 -0.45 0.00 -1.07 0.00 0.00 179.97 177.06 2dmw h ALA 82 N -0.69 -0.70 -0.97 0.04 0.00 -0.97 -0.30 119.26 115.67 2dmw h ALA 82 Ca -0.06 -0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.03 2dmw h ALA 82 Cb 0.81 0.81 -0.08 0.00 0.00 0.00 0.00 17.79 19.33 2dmw h ALA 82 CO -0.01 -0.98 0.62 0.74 0.00 0.00 0.00 179.25 179.62 2dmw h PHE 83 N -0.57 0.68 0.15 0.00 0.04 -0.81 -1.92 116.94 114.52 2dmw h PHE 83 Ca 0.05 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 2dmw h PHE 83 Cb 0.66 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.61 2dmw h PHE 83 CO -0.47 0.14 -0.07 -0.97 -0.60 0.00 0.00 178.31 176.34 2dmw h ASN 84 N 0.48 -0.17 -0.86 2.17 -0.73 0.58 -0.81 115.58 116.25 2dmw h ASN 84 Ca 0.53 0.01 0.21 0.00 1.87 0.00 0.00 56.30 58.92 2dmw h ASN 84 Cb 1.21 0.04 -0.15 0.00 0.27 0.00 0.00 38.32 39.70 2dmw h ASN 84 CO -0.25 -0.12 0.06 0.15 -0.37 0.00 0.00 177.43 176.90 2dmw h PHE 85 N -0.20 0.03 -0.45 0.67 3.57 -1.07 0.29 116.94 119.78 2dmw h PHE 85 Ca -0.02 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.58 2dmw h PHE 85 Cb 0.15 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 2dmw h PHE 85 CO 0.19 -0.29 0.21 -0.07 -2.23 0.00 0.00 178.31 176.12 2dmw h LEU 86 N 0.10 0.29 -1.51 0.59 3.38 -1.30 -1.45 115.31 115.40 2dmw h LEU 86 Ca 0.50 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.50 2dmw h LEU 86 Cb 0.96 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 2dmw h LEU 86 CO -0.74 0.21 0.33 0.78 0.09 0.00 0.00 178.44 179.10 2dmw h ASN 87 N 0.42 0.57 0.15 -0.43 4.21 0.10 0.48 115.58 121.08 2dmw h ASN 87 Ca 0.20 -0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.69 2dmw h ASN 87 Cb 0.13 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 37.19 2dmw h ASN 87 CO -0.16 0.41 -0.07 -0.33 -1.29 0.00 0.00 177.43 175.99 2dmw h GLU 88 N 0.67 -0.19 -0.98 0.81 5.08 -0.20 -0.89 114.58 118.88 2dmw h GLU 88 Ca 0.18 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 2dmw h GLU 88 Cb -0.08 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 2dmw h GLU 88 CO -0.04 -0.13 0.65 -0.84 -1.00 0.00 0.00 179.01 177.65 2dmw h ILE 89 N -0.24 1.25 -0.05 3.13 3.07 -1.39 -1.41 117.51 121.88 2dmw h ILE 89 Ca -0.02 -0.46 0.03 0.00 1.55 0.00 0.00 64.86 65.96 2dmw h ILE 89 Cb 0.15 -0.20 -0.03 0.00 -0.27 0.00 0.00 36.82 36.48 2dmw h ILE 89 CO 0.03 0.24 -0.13 0.50 -1.05 0.00 0.00 178.15 177.75 2dmw h LYS 90 N 1.33 -0.18 0.00 0.16 3.64 -0.10 0.16 116.57 121.59 2dmw h LYS 90 Ca 0.36 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.70 2dmw h LYS 90 Cb -0.15 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2dmw h LYS 90 CO -0.08 -0.12 -0.23 0.87 -2.27 0.00 0.00 179.45 177.62 2dmw h LYS 91 N -0.19 0.00 -0.17 1.90 1.79 -0.88 -2.30 116.57 116.73 2dmw h LYS 91 Ca 0.06 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.33 2dmw h LYS 91 Cb 0.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 2dmw h LYS 91 CO -0.16 0.23 -0.69 0.00 -1.08 0.00 0.00 179.45 177.75 2dmw h ARG 92 N 0.00 0.70 -0.19 3.15 3.08 -0.25 0.15 114.38 121.02 2dmw h ARG 92 Ca -0.00 -0.53 -0.04 0.00 0.07 0.00 0.00 59.98 59.48 2dmw h ARG 92 Cb 0.43 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 2dmw h ARG 92 CO 0.03 1.15 -0.03 0.35 -1.07 0.00 0.00 179.97 180.40 2dmw h PHE 93 N 0.50 0.40 0.00 3.04 3.04 -0.34 0.45 116.94 124.03 2dmw h PHE 93 Ca -0.03 -0.08 -0.10 0.00 3.98 0.00 0.00 57.97 61.75 2dmw h PHE 93 Cb 1.30 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.69 2dmw h PHE 93 CO 0.07 0.59 -0.46 -0.56 -2.02 0.00 0.00 178.31 175.93 2dmw h GLN 94 N 0.09 0.00 0.00 1.11 3.07 -1.48 0.46 115.11 118.37 2dmw h GLN 94 Ca 0.05 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.55 2dmw h GLN 94 Cb 0.45 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.97 2dmw h GLN 94 CO 0.02 0.46 -1.25 1.15 0.09 0.00 0.00 178.83 179.29 2dmw h THR 95 N 0.00 1.41 0.00 1.86 2.02 -0.83 -3.07 112.91 114.30 2dmw h THR 95 Ca -0.00 -3.16 0.00 0.00 0.77 0.00 0.00 66.41 64.01 2dmw h THR 95 Cb 1.06 2.70 0.00 0.00 -1.74 0.00 0.00 68.15 70.17 2dmw h THR 95 CO 0.06 0.81 -0.21 0.41 0.37 0.00 0.00 175.52 176.95 2dmw n THR 96 N -3.25 0.32 -1.31 3.16 -1.04 0.16 -4.67 114.28 107.64 2dmw n THR 96 Ca -0.06 0.42 -0.32 0.00 -2.04 0.00 0.00 64.05 62.04 2dmw n THR 96 Cb 0.98 -1.68 0.10 0.00 -1.82 0.00 0.00 70.33 67.92 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 -2.92 3.19 0.07 -1.42 4.01 0.12 -4.67 117.16 115.55 2dmw n TYR 97 Ca -0.03 -2.76 -0.03 0.00 -0.16 0.00 0.00 57.90 54.92 2dmw n TYR 97 Cb 0.11 -1.33 -0.01 0.00 -0.31 0.00 0.00 39.34 37.80 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 1.77 -0.21 -0.50 2.72 0.00 -0.41 -2.25 103.07 104.19 2dmw h GLY 98 Ca 0.61 0.08 0.08 0.00 0.00 0.00 0.00 47.33 48.10 2dmw h GLY 98 CO 1.48 -0.08 -0.47 1.76 0.00 0.00 0.00 176.54 179.23 2dmw h SER 99 N -0.45 -1.62 -0.89 0.19 0.02 -1.83 0.27 113.55 109.25 2dmw h SER 99 Ca -0.02 0.25 0.12 0.00 -0.84 0.00 0.00 61.79 61.30 2dmw h SER 99 Cb 0.16 0.72 -0.07 0.00 0.14 0.00 0.00 62.40 63.34 2dmw h SER 99 CO 0.03 -0.35 0.57 0.03 -1.14 0.00 0.00 176.83 175.98 2dmw h ARG 100 N -0.25 0.77 -1.38 3.45 3.08 -1.89 -1.58 114.38 116.57 2dmw h ARG 100 Ca 0.15 -0.05 0.40 0.00 0.07 0.00 0.00 59.98 60.56 2dmw h ARG 100 Cb 0.56 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.39 2dmw h ARG 100 CO -0.68 0.51 1.25 0.00 -1.07 0.00 0.00 179.97 179.97 2dmw n ALA 101 N -2.42 1.32 -0.11 0.04 0.00 0.96 0.17 120.51 120.48 2dmw n ALA 101 Ca 0.16 0.45 -0.13 0.00 0.00 0.00 0.00 53.44 53.92 2dmw n ALA 101 Cb 0.38 -0.79 -0.14 0.00 0.00 0.00 0.00 19.45 18.90 2dmw n ALA 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2dmw n GLN 102 N -3.43 0.68 -1.67 0.00 1.13 -0.60 -4.46 117.38 109.02 2dmw n GLN 102 Ca 0.31 0.05 -0.35 0.00 -1.94 0.00 0.00 57.00 55.07 2dmw n GLN 102 Cb 1.66 -1.52 0.06 0.00 0.11 0.00 0.00 30.24 30.55 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 -2.95 3.42 -3.89 5.09 -2.24 0.45 -4.96 114.28 109.21 2dmw n THR 103 Ca -0.38 -3.64 -0.09 0.00 -2.27 0.00 0.00 64.05 57.67 2dmw n THR 103 Cb 1.09 -1.19 -0.07 0.00 -2.10 0.00 0.00 70.33 68.05 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 -3.87 -0.12 1.01 6.98 0.00 0.39 -4.86 121.76 121.30 2dmw s ALA 104 Ca 0.58 -0.71 -0.13 0.00 0.00 0.00 0.00 51.96 51.70 2dmw s ALA 104 Cb 0.47 0.51 0.20 0.00 0.00 0.00 0.00 23.12 24.30 2dmw s ALA 104 CO -0.15 -0.51 1.09 -1.25 0.00 0.00 0.00 175.76 174.94 2dmw s PRO 105 N -3.88 0.30 0.02 0.00 0.04 -1.26 -4.92 135.00 125.29 2dmw s PRO 105 Ca 0.07 0.48 0.15 0.00 0.04 0.00 0.00 61.00 61.73 2dmw s PRO 105 Cb 0.05 -1.72 0.63 0.00 0.04 0.00 0.00 34.50 33.50 2dmw s PRO 105 CO -0.10 -2.81 1.47 -0.35 0.04 0.00 0.00 177.00 175.25 2dmw n PRO 106 N -4.23 0.01 -3.19 0.56 -0.04 -1.26 -3.60 135.00 123.26 2dmw n PRO 106 Ca 0.05 0.27 -0.22 0.00 -0.04 0.00 0.00 63.50 63.55 2dmw n PRO 106 Cb 0.57 -1.53 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.56 0.90 -0.02 0.54 4.01 -1.26 -3.15 117.16 116.63 2dmw n TYR 107 Ca 0.03 -3.79 -0.04 0.00 -0.16 0.00 0.00 57.90 53.94 2dmw n TYR 107 Cb 0.17 -0.42 -0.01 0.00 -0.31 0.00 0.00 39.34 38.76 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 0.70 1.91 -0.81 -0.72 0.00 -1.24 -4.69 120.51 115.66 2dmw n ALA 108 Ca 0.25 -0.41 -0.10 0.00 0.00 0.00 0.00 53.44 53.19 2dmw n ALA 108 Cb 0.55 0.13 -0.13 0.00 0.00 0.00 0.00 19.45 20.00 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 -3.94 1.62 -0.09 0.00 2.81 -1.26 -4.17 117.12 112.09 2dmw n MET 109 Ca -0.07 -0.79 -0.10 0.00 -1.81 0.00 0.00 57.70 54.93 2dmw n MET 109 Cb 0.26 -1.88 -0.04 0.00 -0.71 0.00 0.00 33.22 30.85 2dmw n MET 109 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2dmw n ASN 110 N 2.55 1.87 0.12 7.83 2.85 -1.26 -3.86 115.26 125.35 2dmw n ASN 110 Ca 0.34 0.49 -0.05 0.00 -0.11 0.00 0.00 54.58 55.25 2dmw n ASN 110 Cb 0.75 -0.84 -0.02 0.00 1.24 0.00 0.00 39.78 40.90 2dmw n ASN 110 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2dmw h SER 111 N -1.00 -0.28 -0.45 1.20 0.02 -1.95 0.27 113.55 111.36 2dmw h SER 111 Ca -0.10 0.01 0.08 0.00 -0.84 0.00 0.00 61.79 60.95 2dmw h SER 111 Cb 0.84 0.07 -0.10 0.00 0.14 0.00 0.00 62.40 63.36 2dmw h SER 111 CO -0.06 -0.13 -0.37 -0.33 -1.14 0.00 0.00 176.83 174.80 2dmw h GLU 112 N -0.47 -0.25 0.60 3.45 4.39 -1.85 -2.23 114.58 118.23 2dmw h GLU 112 Ca -0.03 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 2dmw h GLU 112 Cb 0.25 0.06 0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2dmw h GLU 112 CO 0.06 -0.16 -0.29 0.35 -1.16 0.00 0.00 179.01 177.80 2dmw h PHE 113 N -0.26 -0.75 -0.73 4.33 3.57 -1.67 -2.42 116.94 119.01 2dmw h PHE 113 Ca 0.17 -0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.79 2dmw h PHE 113 Cb 0.56 0.25 -0.13 0.00 2.79 0.00 0.00 35.95 39.41 2dmw h PHE 113 CO -0.60 -0.46 -0.22 0.45 -2.23 0.00 0.00 178.31 175.25 2dmw n SER 114 N -5.43 -0.33 -0.02 0.41 2.88 0.96 0.10 113.62 112.19 2dmw n SER 114 Ca -0.13 1.27 -0.12 0.00 -1.33 0.00 0.00 58.87 58.56 2dmw n SER 114 Cb 0.33 -0.35 -0.07 0.00 -0.75 0.00 0.00 64.21 63.37 2dmw n SER 114 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2dmw h SER 115 N 0.00 0.15 -0.03 -3.46 4.64 -1.29 -2.42 113.55 111.14 2dmw h SER 115 Ca 0.32 -0.28 0.03 0.00 -0.47 0.00 0.00 61.79 61.40 2dmw h SER 115 Cb 0.50 -0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 62.51 2dmw h SER 115 CO -0.75 0.39 -0.26 0.58 -0.87 0.00 0.00 176.83 175.93 2dmw h VAL 116 N -0.10 0.41 -0.20 0.95 2.07 0.12 -2.20 116.25 117.30 2dmw h VAL 116 Ca 0.03 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.60 2dmw h VAL 116 Cb 0.31 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 2dmw h VAL 116 CO 0.00 0.00 -0.20 -0.07 0.02 0.00 0.00 177.57 177.33 2dmw h LEU 117 N -0.38 -0.63 -0.80 2.57 3.38 -0.48 -1.50 115.31 117.46 2dmw h LEU 117 Ca 0.07 0.12 0.19 0.00 0.09 0.00 0.00 57.88 58.35 2dmw h LEU 117 Cb 0.48 0.30 -0.13 0.00 0.09 0.00 0.00 40.66 41.40 2dmw h LEU 117 CO -0.25 -0.24 0.18 0.00 0.09 0.00 0.00 178.44 178.23 2dmw h ALA 118 N 0.85 1.08 -0.86 1.53 0.00 -1.05 0.33 119.26 121.14 2dmw h ALA 118 Ca 0.12 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 2dmw h ALA 118 Cb 0.40 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2dmw h ALA 118 CO -0.33 -0.40 0.44 0.00 0.00 0.00 0.00 179.25 178.96 2dmw h ALA 119 N 1.70 1.11 0.36 0.00 0.00 -0.69 -1.14 119.26 120.59 2dmw h ALA 119 Ca 0.48 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 2dmw h ALA 119 Cb 0.88 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2dmw h ALA 119 CO -0.59 0.65 -0.17 1.96 0.00 0.00 0.00 179.25 181.10 2dmw h GLN 120 N 1.22 -0.46 -0.04 0.00 1.08 0.10 -1.13 115.11 115.88 2dmw h GLN 120 Ca 0.30 0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.56 2dmw h GLN 120 Cb 0.08 0.10 -0.06 0.00 -0.05 0.00 0.00 27.48 27.56 2dmw h GLN 120 CO -0.04 -0.15 -0.45 -0.07 -0.95 0.00 0.00 178.83 177.17 2dmw h LEU 121 N -0.96 -1.38 -0.66 1.46 3.38 -0.51 -1.31 115.31 115.34 2dmw h LEU 121 Ca -0.05 0.17 0.07 0.00 0.09 0.00 0.00 57.88 58.15 2dmw h LEU 121 Cb 0.52 0.54 -0.06 0.00 0.09 0.00 0.00 40.66 41.76 2dmw h LEU 121 CO 0.08 -0.47 0.35 0.50 0.09 0.00 0.00 178.44 179.00 2dmw h LYS 122 N -0.57 0.62 -0.33 1.13 3.64 -1.31 0.57 116.57 120.32 2dmw h LYS 122 Ca 0.05 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.46 2dmw h LYS 122 Cb 0.66 -0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 32.26 2dmw h LYS 122 CO -0.35 0.41 -0.24 1.25 -2.27 0.00 0.00 179.45 178.25 2dmw h HIS 123 N 0.64 -0.65 0.14 1.91 2.76 -0.33 -3.22 115.15 116.40 2dmw h HIS 123 Ca 0.30 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.51 2dmw h HIS 123 Cb 0.22 0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.52 2dmw h HIS 123 CO -0.09 -0.32 -0.07 0.45 -1.30 0.00 0.00 177.93 176.60 2dmw h HIS 124 N -0.21 -0.18 -3.21 5.26 3.86 -0.82 -3.43 115.15 116.42 2dmw h HIS 124 Ca 0.16 -0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.79 2dmw h HIS 124 Cb 0.47 0.06 -0.06 0.00 1.06 0.00 0.00 27.41 28.93 2dmw h HIS 124 CO -0.44 -0.11 0.82 0.45 0.86 0.00 0.00 177.93 179.52 2dmw s SER 125 N -4.73 7.00 0.13 2.45 0.15 0.20 -4.94 113.70 113.95 2dmw s SER 125 Ca -0.03 1.19 -0.22 0.00 0.70 0.00 0.00 55.95 57.58 2dmw s SER 125 Cb 0.00 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.75 2dmw s SER 125 CO 0.08 -0.79 1.67 -1.28 1.20 0.00 0.00 173.24 174.12 2dmw h SER 126 N 7.82 -0.47 0.00 5.45 0.87 -1.83 -3.36 113.55 122.03 2dmw h SER 126 Ca -0.20 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2dmw h SER 126 Cb 1.06 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2dmw h SER 126 CO 1.01 -0.20 0.00 0.61 -0.53 0.00 0.00 176.83 177.72 2dmw n GLY 127 N -1.30 3.60 3.77 5.77 0.00 -1.26 -4.97 105.19 110.81 2dmw n GLY 127 Ca -0.03 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.90 3.25 -0.80 1.61 0.04 -1.26 -4.97 135.00 131.97 2dmw s PRO 128 Ca 0.00 1.57 -0.20 0.00 0.04 0.00 0.00 61.00 62.41 2dmw s PRO 128 Cb 0.00 -2.00 0.11 0.00 0.04 0.00 0.00 34.50 32.65 2dmw s PRO 128 CO 0.00 -0.92 1.03 0.45 0.04 0.00 0.00 177.00 177.59 2dmw s SER 129 N -1.93 6.43 0.36 6.66 0.15 -1.26 -5.02 113.70 119.09 2dmw s SER 129 Ca 0.72 -1.64 -0.24 0.00 0.70 0.00 0.00 55.95 55.49 2dmw s SER 129 Cb -0.23 -2.39 -0.10 0.00 -1.71 0.00 0.00 66.02 61.58 2dmw s SER 129 CO 0.30 -1.19 0.96 -0.55 1.20 0.00 0.00 173.24 173.95 2dmw s SER 130 N 3.64 7.17 0.00 5.45 0.15 -1.26 -5.25 113.70 123.60 2dmw s SER 130 Ca 0.27 1.81 0.00 0.00 0.70 0.00 0.00 55.95 58.73 2dmw s SER 130 Cb -0.11 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 2dmw s SER 130 CO -0.01 -0.19 0.20 0.61 1.20 0.00 0.00 173.24 175.04