#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 6.71 0.32 1.61 0.01 -1.26 -5.05 113.70 116.04 2dmw s SER 2 Ca 0.00 -3.20 -0.23 0.00 1.31 0.00 0.00 55.95 53.83 2dmw s SER 2 Cb 0.00 -2.13 -0.10 0.00 0.21 0.00 0.00 66.02 64.00 2dmw s SER 2 CO 0.00 -0.39 0.89 -0.44 0.41 0.00 0.00 173.24 173.71 2dmw s SER 3 N 1.36 7.18 0.00 2.44 0.01 -1.26 -4.28 113.70 119.15 2dmw s SER 3 Ca 0.24 1.70 0.00 0.00 1.31 0.00 0.00 55.95 59.20 2dmw s SER 3 Cb -0.11 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2dmw s SER 3 CO -0.09 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.07 2dmw n GLY 4 N 0.33 3.62 3.19 3.44 0.00 -1.26 -5.05 105.19 109.46 2dmw n GLY 4 Ca 0.02 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.75 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 5.00 0.28 1.61 1.04 -1.26 -4.92 113.70 115.45 2dmw s SER 5 Ca 0.00 -1.27 0.03 0.00 0.48 0.00 0.00 55.95 55.19 2dmw s SER 5 Cb 0.00 -1.75 -0.06 0.00 0.10 0.00 0.00 66.02 64.31 2dmw s SER 5 CO 0.00 -0.29 0.05 -0.44 0.98 0.00 0.00 173.24 173.54 2dmw s SER 6 N 1.31 1.87 0.02 7.02 0.01 -1.26 -5.06 113.70 117.61 2dmw s SER 6 Ca -0.04 -1.33 0.00 0.00 1.31 0.00 0.00 55.95 55.89 2dmw s SER 6 Cb -0.20 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.05 2dmw s SER 6 CO -0.00 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.64 2dmw n GLY 7 N -0.55 -2.85 2.97 3.44 0.00 -1.26 -4.84 105.19 102.10 2dmw n GLY 7 Ca -0.02 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.41 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 -4.19 2.71 0.09 1.61 1.00 -1.26 -4.90 119.30 114.36 2dmw s MET 8 Ca 0.00 -3.30 -0.25 0.00 0.00 0.00 0.00 55.69 52.14 2dmw s MET 8 Cb 0.00 -3.60 0.09 0.00 0.00 0.00 0.00 34.83 31.32 2dmw s MET 8 CO 0.00 -1.27 1.15 0.00 0.00 0.00 0.00 175.02 174.90 2dmw s ALA 9 N -1.37 -1.98 0.16 3.03 0.00 -1.26 -4.63 121.76 115.70 2dmw s ALA 9 Ca 0.25 -0.09 -0.32 0.00 0.00 0.00 0.00 51.96 51.80 2dmw s ALA 9 Cb -0.06 0.77 -0.17 0.00 0.00 0.00 0.00 23.12 23.66 2dmw s ALA 9 CO -0.15 -1.10 0.83 -0.89 0.00 0.00 0.00 175.76 174.46 2dmw n ILE 10 N -0.75 1.31 0.00 0.00 5.41 -1.26 -4.56 119.36 119.51 2dmw n ILE 10 Ca -0.01 -0.33 0.00 0.00 1.00 0.00 0.00 62.75 63.41 2dmw n ILE 10 Cb 0.59 -0.27 0.00 0.00 -0.71 0.00 0.00 39.64 39.25 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 1.80 0.95 -4.58 1.39 4.77 -1.02 -4.82 117.00 115.49 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 0.22 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.20 2dmw n LEU 11 CO 0.59 0.14 -0.31 0.12 -1.33 0.00 0.00 177.39 176.60 2dmw s PHE 12 N -1.98 3.13 -0.28 -1.77 2.19 -1.15 -2.72 117.98 115.40 2dmw s PHE 12 Ca 0.00 -0.07 -0.08 0.00 0.33 0.00 0.00 56.93 57.11 2dmw s PHE 12 Cb 0.00 -1.97 0.13 0.00 -1.31 0.00 0.00 43.02 39.87 2dmw s PHE 12 CO 0.00 0.13 0.59 0.00 1.83 0.00 0.00 175.22 177.77 2dmw s ALA 13 N 0.12 -1.85 0.16 11.12 0.00 -1.24 -0.47 121.76 129.60 2dmw s ALA 13 Ca 0.02 2.07 0.00 0.00 0.00 0.00 0.00 51.96 54.05 2dmw s ALA 13 Cb -0.13 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 2dmw s ALA 13 CO 0.02 -0.94 0.04 0.14 0.00 0.00 0.00 175.76 175.01 2dmw s VAL 14 N 2.82 0.39 -0.17 0.00 -7.23 -0.80 -3.55 120.40 111.87 2dmw s VAL 14 Ca -0.02 -1.95 0.01 0.00 -1.81 0.00 0.00 61.98 58.21 2dmw s VAL 14 Cb -0.12 -2.13 0.02 0.00 0.56 0.00 0.00 36.38 34.70 2dmw s VAL 14 CO -0.18 -0.42 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.32 2dmw s VAL 15 N -3.85 1.87 0.01 1.32 1.01 -0.21 -2.90 120.40 117.64 2dmw s VAL 15 Ca 0.25 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 2dmw s VAL 15 Cb 0.07 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 2dmw s VAL 15 CO 0.04 0.51 -0.00 0.00 0.00 0.00 0.00 175.10 175.65 2dmw s ALA 16 N 1.33 0.02 -0.71 5.51 0.00 -0.81 -2.07 121.76 125.04 2dmw s ALA 16 Ca 0.04 -0.27 -0.15 0.00 0.00 0.00 0.00 51.96 51.58 2dmw s ALA 16 Cb -0.13 0.07 0.17 0.00 0.00 0.00 0.00 23.12 23.23 2dmw s ALA 16 CO -0.11 -0.09 0.68 -0.98 0.00 0.00 0.00 175.76 175.25 2dmw s ARG 17 N -0.77 3.33 1.05 0.00 1.70 0.28 -0.89 118.95 123.66 2dmw s ARG 17 Ca -0.08 -2.06 0.00 0.00 -0.47 0.00 0.00 55.73 53.11 2dmw s ARG 17 Cb -0.05 -4.39 0.00 0.00 -0.57 0.00 0.00 34.95 29.94 2dmw s ARG 17 CO -0.00 -1.35 0.00 0.41 -1.08 0.00 0.00 175.30 173.28 2dmw n GLY 18 N 4.62 1.50 1.53 3.88 0.00 -1.26 -2.60 105.19 112.86 2dmw n GLY 18 Ca 0.02 0.29 0.01 0.00 0.00 0.00 0.00 46.02 46.35 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 1.00 -3.54 2.61 -2.24 -1.26 -4.01 114.28 106.85 2dmw n THR 19 Ca 0.00 -2.18 -0.22 0.00 -2.27 0.00 0.00 64.05 59.38 2dmw n THR 19 Cb 0.00 0.54 -0.14 0.00 -2.10 0.00 0.00 70.33 68.63 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 -1.87 -0.22 -0.19 4.28 2.01 -1.07 -5.04 115.64 113.54 2dmw s THR 20 Ca 0.35 -0.18 -0.29 0.00 0.31 0.00 0.00 61.69 61.88 2dmw s THR 20 Cb 0.38 -0.67 0.00 0.00 0.01 0.00 0.00 72.50 72.22 2dmw s THR 20 CO -0.10 -0.27 1.02 -0.63 -0.69 0.00 0.00 174.62 173.94 2dmw s ILE 21 N 2.24 4.72 -0.18 1.82 1.01 -1.26 -0.56 121.20 128.99 2dmw s ILE 21 Ca 0.05 2.02 -0.08 0.00 0.00 0.00 0.00 60.65 62.63 2dmw s ILE 21 Cb -0.16 -4.30 -0.22 0.00 0.01 0.00 0.00 42.46 37.79 2dmw s ILE 21 CO -0.13 -0.12 0.16 0.18 0.00 0.00 0.00 174.94 175.03 2dmw n LEU 22 N 5.93 2.51 -3.61 2.97 4.77 -0.88 -2.89 117.00 125.79 2dmw n LEU 22 Ca 0.11 0.19 -0.18 0.00 -0.03 0.00 0.00 56.01 56.10 2dmw n LEU 22 Cb 0.47 -1.03 -0.15 0.00 -2.33 0.00 0.00 43.42 40.38 2dmw n LEU 22 CO 0.52 0.74 -0.23 0.00 -1.33 0.00 0.00 177.39 177.09 2dmw s ALA 23 N -2.51 -0.16 -0.04 -1.18 0.00 -1.11 -3.44 121.76 113.33 2dmw s ALA 23 Ca -0.27 0.41 0.07 0.00 0.00 0.00 0.00 51.96 52.16 2dmw s ALA 23 Cb 0.08 -1.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.17 2dmw s ALA 23 CO 0.68 -0.82 -0.24 -1.59 0.00 0.00 0.00 175.76 173.79 2dmw s LYS 24 N 2.30 2.31 -0.29 0.00 -2.85 -1.26 -1.05 119.74 118.90 2dmw s LYS 24 Ca 0.04 -0.88 0.00 0.00 -1.00 0.00 0.00 55.97 54.13 2dmw s LYS 24 Cb -0.14 -2.13 0.19 0.00 -2.06 0.00 0.00 37.83 33.69 2dmw s LYS 24 CO -0.08 0.51 0.58 -1.58 0.10 0.00 0.00 175.35 174.88 2dmw s HIS 25 N -0.48 -1.59 0.24 1.78 2.46 -1.23 -4.85 115.29 111.62 2dmw s HIS 25 Ca 0.06 1.54 0.05 0.00 0.47 0.00 0.00 55.06 57.18 2dmw s HIS 25 Cb -0.11 0.48 -0.05 0.00 -0.13 0.00 0.00 32.58 32.77 2dmw s HIS 25 CO 0.01 -0.90 -0.04 0.00 -2.47 0.00 0.00 174.74 171.34 2dmw s ALA 26 N 2.83 1.97 0.54 1.58 0.00 -1.26 -3.73 121.76 123.69 2dmw s ALA 26 Ca 0.19 -1.78 -0.19 0.00 0.00 0.00 0.00 51.96 50.18 2dmw s ALA 26 Cb -0.14 0.32 -0.06 0.00 0.00 0.00 0.00 23.12 23.24 2dmw s ALA 26 CO -0.22 -0.16 1.08 -1.58 0.00 0.00 0.00 175.76 174.89 2dmw s TRP 27 N -3.25 2.83 -0.30 0.00 0.52 -1.10 -4.97 118.94 112.66 2dmw s TRP 27 Ca 0.27 1.55 -0.29 0.00 0.02 0.00 0.00 56.10 57.66 2dmw s TRP 27 Cb 0.04 -3.16 0.00 0.00 -1.15 0.00 0.00 33.47 29.21 2dmw s TRP 27 CO 0.09 -1.26 1.33 0.00 0.02 0.00 0.00 176.95 177.13 2dmw n GLY 29 N 4.40 -1.52 0.00 0.00 0.00 -1.26 -4.89 105.19 101.92 2dmw n GLY 29 Ca 0.15 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 2.63 3.45 -0.02 0.00 -1.26 -4.98 105.19 105.01 2dmw n GLY 30 Ca 0.00 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 2dmw n GLY 30 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dmw s ASN 31 N 0.00 6.01 -0.20 1.61 0.02 -1.26 -4.90 114.94 116.22 2dmw s ASN 31 Ca 0.00 -0.84 0.01 0.00 -1.02 0.00 0.00 52.86 51.00 2dmw s ASN 31 Cb 0.00 -2.12 -0.13 0.00 0.02 0.00 0.00 41.25 39.02 2dmw s ASN 31 CO 0.00 -0.40 -0.18 0.49 0.02 0.00 0.00 177.10 177.03 2dmw n PHE 32 N 5.11 0.00 -0.26 2.20 3.72 -1.26 -4.53 117.46 122.44 2dmw n PHE 32 Ca -0.11 0.00 0.25 0.00 -0.05 0.00 0.00 57.45 57.53 2dmw n PHE 32 Cb 0.47 -0.75 0.45 0.00 -0.94 0.00 0.00 39.48 38.72 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 -3.13 0.24 0.02 4.37 7.94 -1.26 -0.53 117.00 124.65 2dmw n LEU 33 Ca -0.35 1.35 -0.01 0.00 -1.11 0.00 0.00 56.01 55.89 2dmw n LEU 33 Cb 0.86 -0.64 -0.01 0.00 0.53 0.00 0.00 43.42 44.16 2dmw n LEU 33 CO 0.18 -1.50 0.50 -0.33 -1.11 0.00 0.00 177.39 175.14 2dmw h GLU 34 N 0.00 -0.07 -0.55 1.96 5.08 -2.00 0.17 114.58 119.17 2dmw h GLU 34 Ca 0.67 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 59.16 2dmw h GLU 34 Cb 1.74 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.98 2dmw h GLU 34 CO -0.64 -0.05 0.38 -0.24 -1.00 0.00 0.00 179.01 177.46 2dmw h VAL 35 N -0.07 0.82 -0.11 3.13 3.04 -1.20 -1.69 116.25 120.16 2dmw h VAL 35 Ca -0.01 -0.07 -0.01 0.00 -1.01 0.00 0.00 66.70 65.61 2dmw h VAL 35 Cb 0.06 0.60 -0.00 0.00 -2.01 0.00 0.00 31.29 29.94 2dmw h VAL 35 CO -0.00 0.04 0.03 0.74 -1.01 0.00 0.00 177.57 177.37 2dmw h THR 36 N 0.20 1.19 -0.33 3.17 2.02 -0.49 -2.21 112.91 116.45 2dmw h THR 36 Ca 0.26 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2dmw h THR 36 Cb 0.76 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 2dmw h THR 36 CO -0.04 0.17 0.22 -0.33 0.37 0.00 0.00 175.52 175.91 2dmw h GLU 37 N -0.01 0.44 -0.73 6.66 5.08 0.23 -0.78 114.58 125.47 2dmw h GLU 37 Ca 0.04 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.45 2dmw h GLU 37 Cb 0.24 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 2dmw h GLU 37 CO -0.00 0.29 0.40 1.96 -1.00 0.00 0.00 179.01 180.66 2dmw h GLN 38 N 0.45 0.68 -0.34 2.33 1.08 -1.37 -2.12 115.11 115.81 2dmw h GLN 38 Ca 0.12 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.22 2dmw h GLN 38 Cb -0.05 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.21 2dmw h GLN 38 CO -0.03 0.45 -0.02 0.82 -0.95 0.00 0.00 178.83 179.10 2dmw h ILE 39 N 0.70 1.27 -0.38 2.54 1.08 -1.01 -3.17 117.51 118.53 2dmw h ILE 39 Ca 0.34 -1.02 0.08 0.00 -0.39 0.00 0.00 64.86 63.87 2dmw h ILE 39 Cb 0.29 1.24 -0.08 0.00 -3.07 0.00 0.00 36.82 35.20 2dmw h ILE 39 CO -0.23 0.34 -0.19 -0.07 -0.69 0.00 0.00 178.15 177.31 2dmw h LEU 40 N 0.42 -0.64 -1.47 1.44 3.38 -0.52 0.50 115.31 118.43 2dmw h LEU 40 Ca 0.09 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2dmw h LEU 40 Cb 0.49 0.35 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2dmw h LEU 40 CO 0.02 -0.22 0.29 0.00 0.09 0.00 0.00 178.44 178.62 2dmw h ALA 41 N 1.14 1.25 0.00 1.53 0.00 -1.40 0.23 119.26 122.01 2dmw h ALA 41 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.74 2dmw h ALA 41 Cb 0.41 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 2dmw h ALA 41 CO -0.46 -0.25 -2.28 1.63 0.00 0.00 0.00 179.25 177.89 2dmw n LYS 42 N -2.48 0.68 -2.48 0.00 5.02 0.15 -4.91 118.16 114.14 2dmw n LYS 42 Ca -0.01 0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 2dmw n LYS 42 Cb 0.33 -1.57 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 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 -2.51 4.30 0.45 -0.18 1.01 0.79 -5.01 121.20 120.05 2dmw s ILE 43 Ca -0.12 1.62 -0.23 0.00 0.00 0.00 0.00 60.65 61.92 2dmw s ILE 43 Cb 0.07 -4.04 -0.08 0.00 0.01 0.00 0.00 42.46 38.42 2dmw s ILE 43 CO 0.81 0.01 1.17 -2.16 0.00 0.00 0.00 174.94 174.76 2dmw s PRO 44 N 2.11 3.81 -0.20 2.79 0.04 -1.26 -4.81 135.00 137.48 2dmw s PRO 44 Ca 0.55 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.38 2dmw s PRO 44 Cb -0.24 -2.45 0.19 0.00 0.04 0.00 0.00 34.50 32.03 2dmw s PRO 44 CO 0.22 -0.51 1.71 0.43 0.04 0.00 0.00 177.00 178.89 2dmw n SER 45 N -0.39 4.92 -4.64 6.66 7.64 -1.26 -4.88 113.62 121.67 2dmw n SER 45 Ca 0.07 -2.75 -0.26 0.00 1.01 0.00 0.00 58.87 56.94 2dmw n SER 45 Cb 0.48 -0.88 -0.08 0.00 -1.01 0.00 0.00 64.21 62.72 2dmw n SER 45 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2dmw s GLU 46 N -1.25 2.31 -1.07 1.43 2.02 -1.26 -4.63 118.70 116.25 2dmw s GLU 46 Ca 0.21 -1.18 -0.27 0.00 0.02 0.00 0.00 54.97 53.75 2dmw s GLU 46 Cb 0.17 -2.29 -0.24 0.00 0.10 0.00 0.00 34.13 31.87 2dmw s GLU 46 CO 0.01 0.44 2.11 0.27 0.02 0.00 0.00 175.26 178.11 2dmw n ASN 47 N -0.16 1.31 -3.63 -0.19 6.94 -1.26 -4.66 115.26 113.60 2dmw n ASN 47 Ca -0.10 -2.49 -0.14 0.00 -0.02 0.00 0.00 54.58 51.84 2dmw n ASN 47 Cb 0.56 -1.72 -0.07 0.00 -2.36 0.00 0.00 39.78 36.19 2dmw n ASN 47 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 2dmw s ASN 48 N 8.53 -0.75 0.22 0.53 2.47 -1.18 -5.00 114.94 119.77 2dmw s ASN 48 Ca 0.82 1.43 0.11 0.00 0.42 0.00 0.00 52.86 55.64 2dmw s ASN 48 Cb -0.05 1.44 -0.05 0.00 -1.45 0.00 0.00 41.25 41.15 2dmw s ASN 48 CO 0.19 -0.25 -0.20 -1.59 -3.72 0.00 0.00 177.10 171.53 2dmw s LYS 49 N 0.46 1.66 -0.19 0.43 -2.85 -1.26 -3.83 119.74 114.15 2dmw s LYS 49 Ca -0.01 -1.57 -0.25 0.00 -1.00 0.00 0.00 55.97 53.14 2dmw s LYS 49 Cb -0.05 -1.87 0.06 0.00 -2.06 0.00 0.00 37.83 33.92 2dmw s LYS 49 CO -0.00 0.38 0.66 -1.17 0.10 0.00 0.00 175.35 175.32 2dmw s LEU 50 N -2.99 -0.53 -0.47 2.77 0.20 -1.25 -5.08 118.68 111.33 2dmw s LEU 50 Ca 0.24 1.15 -0.23 0.00 0.69 0.00 0.00 54.13 55.98 2dmw s LEU 50 Cb -0.07 2.32 0.03 0.00 -0.43 0.00 0.00 46.19 48.04 2dmw s LEU 50 CO 0.12 -0.33 0.82 -0.89 -0.29 0.00 0.00 176.35 175.78 2dmw s THR 51 N -0.09 4.60 -0.19 3.68 2.01 -1.26 -4.10 115.64 120.28 2dmw s THR 51 Ca -0.03 0.42 -0.08 0.00 0.31 0.00 0.00 61.69 62.31 2dmw s THR 51 Cb -0.04 -4.36 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 2dmw s THR 51 CO 0.03 -0.79 0.08 -0.47 -0.69 0.00 0.00 174.62 172.78 2dmw s TYR 52 N 3.41 3.25 -0.43 4.92 6.14 -0.46 -5.01 117.35 129.17 2dmw s TYR 52 Ca 0.30 0.06 -0.13 0.00 0.64 0.00 0.00 57.07 57.94 2dmw s TYR 52 Cb -0.12 -2.11 0.06 0.00 0.42 0.00 0.00 41.96 40.20 2dmw s TYR 52 CO 0.22 0.11 0.31 -1.54 0.64 0.00 0.00 175.55 175.29 2dmw s SER 53 N 0.53 5.94 -0.15 4.32 1.04 -1.26 -0.55 113.70 123.57 2dmw s SER 53 Ca 0.04 -1.22 0.01 0.00 0.48 0.00 0.00 55.95 55.25 2dmw s SER 53 Cb -0.13 -2.10 0.00 0.00 0.10 0.00 0.00 66.02 63.89 2dmw s SER 53 CO 0.01 -0.53 -0.17 -2.28 0.98 0.00 0.00 173.24 171.25 2dmw s HIS 54 N 1.58 2.76 0.00 5.02 2.46 -1.02 -5.00 115.29 121.08 2dmw s HIS 54 Ca 0.03 -1.10 0.00 0.00 0.47 0.00 0.00 55.06 54.47 2dmw s HIS 54 Cb -0.22 -1.88 0.00 0.00 -0.13 0.00 0.00 32.58 30.36 2dmw s HIS 54 CO 0.06 -0.50 0.00 0.41 -2.47 0.00 0.00 174.74 172.24 2dmw n GLY 55 N 4.06 1.55 2.09 1.59 0.00 -1.26 -1.51 105.19 111.71 2dmw n GLY 55 Ca -0.19 -0.39 -0.21 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.77 6.57 -3.68 1.61 3.02 -1.26 -4.86 115.26 114.89 2dmw n ASN 56 Ca 0.00 -3.16 -0.14 0.00 -0.03 0.00 0.00 54.58 51.25 2dmw n ASN 56 Cb 0.00 -1.10 -0.08 0.00 -0.61 0.00 0.00 39.78 37.99 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 -1.94 -0.32 -0.19 3.10 2.02 -0.57 -4.27 117.35 115.18 2dmw s TYR 57 Ca 0.41 0.49 -0.09 0.00 -0.37 0.00 0.00 57.07 57.51 2dmw s TYR 57 Cb 0.30 0.20 -0.05 0.00 -0.40 0.00 0.00 41.96 42.01 2dmw s TYR 57 CO -0.07 -0.47 0.13 -0.51 -1.57 0.00 0.00 175.55 173.06 2dmw s LEU 58 N -1.38 4.21 -0.29 -1.29 1.43 -1.17 -2.45 118.68 117.75 2dmw s LEU 58 Ca -0.12 0.25 -0.06 0.00 -1.03 0.00 0.00 54.13 53.18 2dmw s LEU 58 Cb -0.03 -2.08 0.01 0.00 0.03 0.00 0.00 46.19 44.12 2dmw s LEU 58 CO 0.05 0.21 0.05 -0.36 0.23 0.00 0.00 176.35 176.53 2dmw s PHE 59 N 0.18 3.13 -0.15 0.29 0.40 0.28 -2.92 117.98 119.20 2dmw s PHE 59 Ca 0.09 -1.10 0.02 0.00 -0.60 0.00 0.00 56.93 55.34 2dmw s PHE 59 Cb -0.11 -2.22 0.01 0.00 0.51 0.00 0.00 43.02 41.22 2dmw s PHE 59 CO -0.01 -0.61 -0.20 -1.01 0.70 0.00 0.00 175.22 174.09 2dmw s HIS 60 N 1.46 2.58 -0.03 0.36 3.76 -1.21 -1.36 115.29 120.86 2dmw s HIS 60 Ca 0.02 -1.37 0.04 0.00 -0.15 0.00 0.00 55.06 53.61 2dmw s HIS 60 Cb -0.17 -1.78 -0.01 0.00 1.11 0.00 0.00 32.58 31.73 2dmw s HIS 60 CO 0.01 -0.65 -0.15 1.52 -0.85 0.00 0.00 174.74 174.62 2dmw s TYR 61 N 1.00 1.46 -0.38 1.40 -0.85 -1.26 -2.95 117.35 115.78 2dmw s TYR 61 Ca -0.03 -0.35 0.02 0.00 -0.52 0.00 0.00 57.07 56.19 2dmw s TYR 61 Cb -0.15 -0.97 0.11 0.00 0.38 0.00 0.00 41.96 41.34 2dmw s TYR 61 CO -0.05 -0.09 0.14 0.42 -1.52 0.00 0.00 175.55 174.45 2dmw s ILE 62 N -0.12 1.57 -0.07 -3.49 1.01 -1.21 -3.74 121.20 115.15 2dmw s ILE 62 Ca 0.01 -2.18 -0.24 0.00 0.00 0.00 0.00 60.65 58.24 2dmw s ILE 62 Cb -0.09 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.21 2dmw s ILE 62 CO 0.01 -0.73 0.72 0.00 0.00 0.00 0.00 174.94 174.93 2dmw n GLN 64 N 3.90 0.00 -1.76 0.00 -0.06 -1.25 -3.07 117.38 115.13 2dmw n GLN 64 Ca -0.01 0.00 -0.33 0.00 -2.00 0.00 0.00 57.00 54.66 2dmw n GLN 64 Cb 0.51 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.67 2dmw n GLN 64 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 2dmw n ASP 65 N -1.54 7.09 -1.83 1.69 -0.08 -1.26 -4.52 116.55 116.10 2dmw n ASP 65 Ca 0.00 -3.30 -0.19 0.00 -1.51 0.00 0.00 54.79 49.78 2dmw n ASP 65 Cb 0.00 -1.24 -0.05 0.00 2.34 0.00 0.00 41.12 42.17 2dmw n ASP 65 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2dmw n ARG 66 N 0.85 -1.44 -3.81 -0.67 5.12 -1.26 -4.96 116.66 110.50 2dmw n ARG 66 Ca 0.53 1.05 -0.29 0.00 -1.93 0.00 0.00 57.85 57.21 2dmw n ARG 66 Cb 0.41 -5.50 -0.16 0.00 -1.16 0.00 0.00 32.46 26.06 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 -2.84 0.99 -0.08 0.55 -1.09 -1.26 -4.49 121.20 112.98 2dmw s ILE 67 Ca 0.00 -1.07 -0.26 0.00 -2.23 0.00 0.00 60.65 57.10 2dmw s ILE 67 Cb 0.00 -1.51 -0.03 0.00 -1.58 0.00 0.00 42.46 39.34 2dmw s ILE 67 CO 0.00 -0.33 0.81 -0.69 -1.23 0.00 0.00 174.94 173.50 2dmw s VAL 68 N 1.61 4.95 -0.52 2.92 1.01 -0.07 -3.80 120.40 126.50 2dmw s VAL 68 Ca 0.01 1.65 -0.05 0.00 0.00 0.00 0.00 61.98 63.59 2dmw s VAL 68 Cb -0.18 -4.14 0.14 0.00 0.00 0.00 0.00 36.38 32.20 2dmw s VAL 68 CO -0.12 0.16 0.35 -0.31 0.00 0.00 0.00 175.10 175.18 2dmw s TYR 69 N 1.26 3.50 0.05 5.22 1.51 -1.25 -1.92 117.35 125.72 2dmw s TYR 69 Ca 0.41 -2.38 -0.09 0.00 -1.01 0.00 0.00 57.07 54.01 2dmw s TYR 69 Cb -0.18 -3.31 -0.05 0.00 -0.11 0.00 0.00 41.96 38.30 2dmw s TYR 69 CO 0.19 -0.93 0.35 -1.17 -1.11 0.00 0.00 175.55 172.87 2dmw s LEU 70 N 0.71 4.36 -0.19 -1.29 0.20 -1.14 -3.32 118.68 118.00 2dmw s LEU 70 Ca 0.11 0.70 -0.17 0.00 0.69 0.00 0.00 54.13 55.46 2dmw s LEU 70 Cb -0.22 -2.85 0.05 0.00 -0.43 0.00 0.00 46.19 42.73 2dmw s LEU 70 CO -0.03 0.21 0.50 0.00 -0.29 0.00 0.00 176.35 176.73 2dmw s ILE 72 N 0.27 5.21 0.38 0.00 1.09 0.38 -3.30 121.20 125.23 2dmw s ILE 72 Ca -0.00 0.13 0.06 0.00 -1.10 0.00 0.00 60.65 59.74 2dmw s ILE 72 Cb -0.03 -3.42 -0.07 0.00 -1.06 0.00 0.00 42.46 37.87 2dmw s ILE 72 CO 0.01 0.35 0.01 0.42 -0.10 0.00 0.00 174.94 175.63 2dmw s THR 73 N 1.07 1.83 0.36 2.92 -4.23 -1.15 -2.43 115.64 114.01 2dmw s THR 73 Ca 0.07 -2.02 -0.28 0.00 -1.18 0.00 0.00 61.69 58.28 2dmw s THR 73 Cb -0.14 -2.91 -0.11 0.00 1.34 0.00 0.00 72.50 70.68 2dmw s THR 73 CO 0.04 -0.02 1.45 -1.81 -0.54 0.00 0.00 174.62 173.74 2dmw s ASP 74 N -3.65 6.45 0.30 3.99 1.11 -1.26 -3.03 116.67 120.59 2dmw s ASP 74 Ca 0.35 2.95 0.03 0.00 0.18 0.00 0.00 52.55 56.06 2dmw s ASP 74 Cb 0.09 -2.66 0.78 0.00 1.07 0.00 0.00 42.92 42.20 2dmw s ASP 74 CO 0.17 -0.79 1.60 -2.24 1.18 0.00 0.00 175.17 175.09 2dmw h ASP 75 N 3.24 -0.23 -2.01 0.27 3.04 -1.93 0.25 116.42 119.05 2dmw h ASP 75 Ca -0.50 0.24 -0.76 0.00 -3.24 0.00 0.00 57.03 52.77 2dmw h ASP 75 Cb 1.23 0.38 -0.28 0.00 -1.04 0.00 0.00 39.33 39.62 2dmw h ASP 75 CO 0.66 -0.28 0.93 -0.90 -2.04 0.00 0.00 179.24 177.60 2dmw n ASP 76 N -5.37 7.29 -4.57 4.15 5.75 -1.26 -4.89 116.55 117.66 2dmw n ASP 76 Ca 0.23 -3.81 -0.34 0.00 -0.01 0.00 0.00 54.79 50.87 2dmw n ASP 76 Cb 0.77 -1.04 -0.11 0.00 -1.03 0.00 0.00 41.12 39.71 2dmw n ASP 76 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2dmw s PHE 77 N -4.07 2.97 -0.46 2.11 5.36 0.87 -5.03 117.98 119.73 2dmw s PHE 77 Ca 0.50 -0.04 -0.42 0.00 -0.96 0.00 0.00 56.93 56.00 2dmw s PHE 77 Cb 0.40 -1.77 -0.17 0.00 -0.34 0.00 0.00 43.02 41.14 2dmw s PHE 77 CO -0.36 0.26 2.13 0.39 -1.46 0.00 0.00 175.22 176.18 2dmw n GLU 78 N 2.51 0.25 -0.26 10.12 1.02 -1.26 -4.79 120.64 128.23 2dmw n GLU 78 Ca -0.18 0.07 0.02 0.00 -0.02 0.00 0.00 57.16 57.05 2dmw n GLU 78 Cb 0.53 -1.72 0.15 0.00 -0.02 0.00 0.00 31.44 30.38 2dmw n GLU 78 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dmw h ARG 79 N 9.65 0.65 -0.04 3.49 3.08 -1.96 -2.31 114.38 126.93 2dmw h ARG 79 Ca -0.15 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 2dmw h ARG 79 Cb 1.40 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 31.30 2dmw h ARG 79 CO 1.07 0.43 0.01 0.77 -1.07 0.00 0.00 179.97 181.18 2dmw h SER 80 N 0.67 0.06 -0.85 7.04 0.02 -2.00 -2.97 113.55 115.52 2dmw h SER 80 Ca 0.37 -0.21 0.22 0.00 -0.84 0.00 0.00 61.79 61.32 2dmw h SER 80 Cb 0.37 -0.02 -0.14 0.00 0.14 0.00 0.00 62.40 62.75 2dmw h SER 80 CO -0.26 0.26 0.19 0.03 -1.14 0.00 0.00 176.83 175.91 2dmw h ARG 81 N -0.14 0.19 0.08 3.45 3.08 -1.80 0.26 114.38 119.50 2dmw h ARG 81 Ca 0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2dmw h ARG 81 Cb 0.22 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2dmw h ARG 81 CO -0.00 0.12 -0.07 0.00 -1.07 0.00 0.00 179.97 178.95 2dmw h ALA 82 N 1.76 -0.15 -0.91 0.04 0.00 -1.32 -1.72 119.26 116.97 2dmw h ALA 82 Ca 0.52 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.39 2dmw h ALA 82 Cb 1.01 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 2dmw h ALA 82 CO -0.65 -0.59 0.52 0.74 0.00 0.00 0.00 179.25 179.27 2dmw h PHE 83 N -0.17 1.22 0.49 0.00 0.04 -0.82 -2.12 116.94 115.58 2dmw h PHE 83 Ca 0.00 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 2dmw h PHE 83 Cb 0.16 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 37.90 2dmw h PHE 83 CO -0.10 0.83 -0.38 -0.97 -0.60 0.00 0.00 178.31 177.08 2dmw h ASN 84 N 1.26 -1.01 -0.20 2.17 -0.73 -0.28 -1.79 115.58 115.00 2dmw h ASN 84 Ca 0.32 0.07 0.05 0.00 1.87 0.00 0.00 56.30 58.62 2dmw h ASN 84 Cb -0.01 0.32 -0.05 0.00 0.27 0.00 0.00 38.32 38.85 2dmw h ASN 84 CO -0.06 -0.56 -0.15 0.15 -0.37 0.00 0.00 177.43 176.44 2dmw h PHE 85 N -0.86 -0.37 -0.69 0.67 3.57 -1.21 -0.86 116.94 117.19 2dmw h PHE 85 Ca -0.05 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.63 2dmw h PHE 85 Cb 0.73 0.20 -0.12 0.00 2.79 0.00 0.00 35.95 39.56 2dmw h PHE 85 CO -0.16 -0.22 0.03 -0.07 -2.23 0.00 0.00 178.31 175.66 2dmw h LEU 86 N -0.15 -0.25 -0.29 0.59 3.38 -1.23 -0.47 115.31 116.89 2dmw h LEU 86 Ca 0.12 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 2dmw h LEU 86 Cb 0.33 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2dmw h LEU 86 CO -0.29 -0.13 0.11 -1.13 0.09 0.00 0.00 178.44 177.09 2dmw h ASN 87 N 0.14 0.40 -0.00 -0.43 -0.73 -0.57 -0.62 115.58 113.76 2dmw h ASN 87 Ca 0.37 -0.17 0.00 0.00 1.87 0.00 0.00 56.30 58.37 2dmw h ASN 87 Cb 0.63 -0.10 -0.00 0.00 0.27 0.00 0.00 38.32 39.12 2dmw h ASN 87 CO -0.58 0.46 -0.02 -0.33 -0.37 0.00 0.00 177.43 176.60 2dmw h GLU 88 N 0.31 -0.02 -0.33 6.67 4.39 0.28 0.28 114.58 126.16 2dmw h GLU 88 Ca 0.09 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.87 2dmw h GLU 88 Cb 0.19 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 2dmw h GLU 88 CO -0.01 -0.01 0.23 -0.84 -1.16 0.00 0.00 179.01 177.23 2dmw h ILE 89 N -0.02 0.88 -0.19 3.13 3.07 -1.46 -1.82 117.51 121.11 2dmw h ILE 89 Ca 0.00 -0.03 -0.01 0.00 1.55 0.00 0.00 64.86 66.37 2dmw h ILE 89 Cb 0.02 0.78 -0.01 0.00 -0.27 0.00 0.00 36.82 37.34 2dmw h ILE 89 CO -0.01 0.02 0.09 0.50 -1.05 0.00 0.00 178.15 177.70 2dmw h LYS 90 N 0.10 0.27 -0.52 0.16 3.64 0.05 0.31 116.57 120.57 2dmw h LYS 90 Ca 0.15 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 2dmw h LYS 90 Cb 0.49 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 2dmw h LYS 90 CO -0.02 0.28 0.03 0.87 -2.27 0.00 0.00 179.45 178.34 2dmw h LYS 91 N 0.18 0.86 -0.34 1.90 1.57 0.31 -0.77 116.57 120.28 2dmw h LYS 91 Ca 0.06 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 2dmw h LYS 91 Cb 0.10 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2dmw h LYS 91 CO -0.01 0.84 -0.02 0.00 -0.57 0.00 0.00 179.45 179.69 2dmw h ARG 92 N 0.80 0.62 0.04 3.15 3.08 -1.16 -0.63 114.38 120.28 2dmw h ARG 92 Ca 0.16 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 2dmw h ARG 92 Cb 0.44 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.44 2dmw h ARG 92 CO 0.02 0.75 -0.02 0.35 -1.07 0.00 0.00 179.97 180.00 2dmw h PHE 93 N 0.42 -0.05 0.00 3.04 3.57 -0.78 -0.42 116.94 122.72 2dmw h PHE 93 Ca 0.09 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 2dmw h PHE 93 Cb 0.49 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 2dmw h PHE 93 CO 0.04 0.25 -0.07 -0.56 -2.23 0.00 0.00 178.31 175.73 2dmw h GLN 94 N -0.35 0.00 0.00 1.11 3.07 -1.16 0.85 115.11 118.63 2dmw h GLN 94 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.70 2dmw h GLN 94 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.88 2dmw h GLN 94 CO 0.01 0.07 -0.32 1.15 0.09 0.00 0.00 178.83 179.84 2dmw h THR 95 N 0.00 0.21 0.00 1.86 2.02 -0.91 -2.68 112.91 113.42 2dmw h THR 95 Ca -0.00 -1.31 0.00 0.00 0.77 0.00 0.00 66.41 65.87 2dmw h THR 95 Cb 0.13 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 2dmw h THR 95 CO 0.01 0.12 -0.29 0.41 0.37 0.00 0.00 175.52 176.14 2dmw n THR 96 N -3.06 0.44 -1.74 3.16 -1.04 -0.18 -4.76 114.28 107.10 2dmw n THR 96 Ca 0.02 0.38 -0.17 0.00 -2.04 0.00 0.00 64.05 62.25 2dmw n THR 96 Cb 0.59 -1.73 0.10 0.00 -1.82 0.00 0.00 70.33 67.47 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 2.04 0.11 -1.42 4.01 0.28 -4.81 117.16 114.29 2dmw n TYR 97 Ca -0.04 -2.09 -0.04 0.00 -0.16 0.00 0.00 57.90 55.56 2dmw n TYR 97 Cb 0.15 -0.52 -0.02 0.00 -0.31 0.00 0.00 39.34 38.64 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 1.71 -0.30 0.77 2.72 0.00 -0.68 -1.94 103.07 105.36 2dmw h GLY 98 Ca 0.32 0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.82 2dmw h GLY 98 CO 0.68 -0.11 0.65 1.76 0.00 0.00 0.00 176.54 179.53 2dmw h SER 99 N -0.43 1.05 -0.00 0.19 0.02 -1.88 -0.74 113.55 111.75 2dmw h SER 99 Ca -0.03 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 2dmw h SER 99 Cb 0.22 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2dmw h SER 99 CO 0.05 0.68 -0.04 -0.09 -1.14 0.00 0.00 176.83 176.28 2dmw h ARG 100 N 1.19 0.13 -0.44 3.45 2.43 -1.89 -1.91 114.38 117.33 2dmw h ARG 100 Ca 0.43 -0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.70 2dmw h ARG 100 Cb 0.14 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 2dmw h ARG 100 CO -0.16 0.18 0.31 0.00 -1.51 0.00 0.00 179.97 178.79 2dmw h ALA 101 N 1.84 2.35 0.02 2.80 0.00 -0.29 0.16 119.26 126.13 2dmw h ALA 101 Ca 0.03 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 2dmw h ALA 101 Cb 0.16 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2dmw h ALA 101 CO 0.01 -0.47 -0.94 1.96 0.00 0.00 0.00 179.25 179.81 2dmw h GLN 102 N 0.05 0.11 -0.79 0.00 1.08 -1.41 -3.29 115.11 110.86 2dmw h GLN 102 Ca 0.21 -0.15 -0.56 0.00 -1.45 0.00 0.00 58.65 56.70 2dmw h GLN 102 Cb 0.77 0.05 -0.37 0.00 -0.05 0.00 0.00 27.48 27.87 2dmw h GLN 102 CO -0.01 0.97 -0.33 0.25 -0.95 0.00 0.00 178.83 178.75 2dmw n THR 103 N -3.55 2.82 -4.42 -0.54 -2.24 0.04 -5.00 114.28 101.40 2dmw n THR 103 Ca -0.03 -3.80 -0.20 0.00 -2.27 0.00 0.00 64.05 57.75 2dmw n THR 103 Cb 0.86 -1.10 -0.14 0.00 -2.10 0.00 0.00 70.33 67.85 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 -3.64 1.07 0.95 6.98 0.00 0.35 -4.97 121.76 122.50 2dmw s ALA 104 Ca 0.54 -0.69 -0.12 0.00 0.00 0.00 0.00 51.96 51.69 2dmw s ALA 104 Cb 0.44 -0.20 0.16 0.00 0.00 0.00 0.00 23.12 23.51 2dmw s ALA 104 CO 0.02 0.22 1.09 -1.25 0.00 0.00 0.00 175.76 175.85 2dmw s PRO 105 N -0.79 0.84 0.23 0.00 0.04 -1.26 -4.94 135.00 129.11 2dmw s PRO 105 Ca 0.02 0.68 -0.30 0.00 0.04 0.00 0.00 61.00 61.44 2dmw s PRO 105 Cb -0.07 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.61 2dmw s PRO 105 CO 0.00 -2.49 1.28 -1.25 0.04 0.00 0.00 177.00 174.59 2dmw s PRO 106 N -4.94 4.41 -1.08 0.56 0.04 -1.26 -3.30 135.00 129.43 2dmw s PRO 106 Ca 0.64 2.05 -0.05 0.00 0.04 0.00 0.00 61.00 63.69 2dmw s PRO 106 Cb -0.18 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.19 2dmw s PRO 106 CO 0.57 -0.19 0.93 0.66 0.04 0.00 0.00 177.00 179.01 2dmw n TYR 107 N 2.18 -2.18 -0.03 0.56 4.02 -1.14 -4.97 117.16 115.60 2dmw n TYR 107 Ca 0.04 0.82 -0.03 0.00 -0.01 0.00 0.00 57.90 58.73 2dmw n TYR 107 Cb 0.43 -4.45 -0.01 0.00 -0.02 0.00 0.00 39.34 35.29 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 -4.21 0.28 -1.79 -0.72 0.00 -1.21 -4.61 120.51 108.26 2dmw n ALA 108 Ca -0.09 -0.39 -0.34 0.00 0.00 0.00 0.00 53.44 52.63 2dmw n ALA 108 Cb 0.59 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 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 -3.26 3.53 -0.11 0.00 2.81 -1.26 -4.49 117.12 114.35 2dmw n MET 109 Ca -0.05 -3.01 -0.21 0.00 -1.81 0.00 0.00 57.70 52.62 2dmw n MET 109 Cb 0.17 -2.37 -0.09 0.00 -0.71 0.00 0.00 33.22 30.21 2dmw n MET 109 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 2dmw n ASN 110 N 1.10 1.88 0.04 7.83 0.23 -1.24 -3.85 115.26 121.26 2dmw n ASN 110 Ca 0.55 0.43 -0.07 0.00 -0.53 0.00 0.00 54.58 54.96 2dmw n ASN 110 Cb 0.39 -0.91 -0.04 0.00 -2.08 0.00 0.00 39.78 37.14 2dmw n ASN 110 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2dmw h SER 111 N -1.00 -0.66 -0.61 0.53 0.02 -1.92 1.06 113.55 110.97 2dmw h SER 111 Ca -0.37 0.07 0.11 0.00 -0.84 0.00 0.00 61.79 60.75 2dmw h SER 111 Cb 1.26 0.24 -0.12 0.00 0.14 0.00 0.00 62.40 63.93 2dmw h SER 111 CO -0.23 -0.23 -0.34 -0.08 -1.14 0.00 0.00 176.83 174.81 2dmw h GLU 112 N -0.31 -0.15 0.00 3.45 4.57 -1.90 0.62 114.58 120.86 2dmw h GLU 112 Ca -0.00 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 2dmw h GLU 112 Cb 0.31 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2dmw h GLU 112 CO -0.12 -0.10 -0.12 0.35 -1.18 0.00 0.00 179.01 177.84 2dmw h PHE 113 N -0.16 0.00 -0.29 0.92 3.57 -1.59 -2.48 116.94 116.91 2dmw h PHE 113 Ca 0.23 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 2dmw h PHE 113 Cb 0.55 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 2dmw h PHE 113 CO -0.65 0.12 0.16 1.03 -2.23 0.00 0.00 178.31 176.74 2dmw h SER 114 N 0.00 0.36 -0.05 0.41 0.87 0.70 0.44 113.55 116.28 2dmw h SER 114 Ca -0.00 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.46 2dmw h SER 114 Cb 0.26 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2dmw h SER 114 CO 0.02 0.33 -0.04 0.77 -0.53 0.00 0.00 176.83 177.38 2dmw h SER 115 N 0.35 0.11 0.11 6.23 4.64 -1.04 -2.35 113.55 121.61 2dmw h SER 115 Ca 0.10 -0.47 0.02 0.00 -0.47 0.00 0.00 61.79 60.97 2dmw h SER 115 Cb 0.05 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.08 2dmw h SER 115 CO -0.02 0.56 -0.26 0.58 -0.87 0.00 0.00 176.83 176.83 2dmw h VAL 116 N -0.33 0.44 -0.16 0.95 2.07 -1.40 -2.24 116.25 115.57 2dmw h VAL 116 Ca 0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 2dmw h VAL 116 Cb 0.53 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 2dmw h VAL 116 CO 0.01 0.00 -0.15 -0.07 0.02 0.00 0.00 177.57 177.38 2dmw h LEU 117 N -0.46 -0.48 -0.82 2.57 3.38 -0.98 -1.77 115.31 116.77 2dmw h LEU 117 Ca 0.03 0.09 0.20 0.00 0.09 0.00 0.00 57.88 58.29 2dmw h LEU 117 Cb 0.49 0.23 -0.13 0.00 0.09 0.00 0.00 40.66 41.34 2dmw h LEU 117 CO -0.15 -0.19 0.20 0.00 0.09 0.00 0.00 178.44 178.38 2dmw h ALA 118 N 0.92 1.12 -0.68 1.53 0.00 -1.14 0.23 119.26 121.23 2dmw h ALA 118 Ca 0.11 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 2dmw h ALA 118 Cb 0.33 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2dmw h ALA 118 CO -0.27 -0.40 0.31 0.00 0.00 0.00 0.00 179.25 178.89 2dmw h ALA 119 N 1.71 0.89 -0.62 0.00 0.00 -0.74 -1.60 119.26 118.90 2dmw h ALA 119 Ca 0.49 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 2dmw h ALA 119 Cb 0.92 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2dmw h ALA 119 CO -0.60 0.47 0.06 1.96 0.00 0.00 0.00 179.25 181.14 2dmw h GLN 120 N 0.96 1.03 0.41 0.00 1.08 -0.02 -2.06 115.11 116.50 2dmw h GLN 120 Ca 0.23 -0.29 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 2dmw h GLN 120 Cb 0.15 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 2dmw h GLN 120 CO -0.03 0.97 -0.20 -0.07 -0.95 0.00 0.00 178.83 178.56 2dmw h LEU 121 N 0.96 -0.46 -0.94 1.46 3.38 -0.53 0.78 115.31 119.95 2dmw h LEU 121 Ca 0.18 0.02 0.25 0.00 0.09 0.00 0.00 57.88 58.42 2dmw h LEU 121 Cb 0.47 0.12 -0.13 0.00 0.09 0.00 0.00 40.66 41.21 2dmw h LEU 121 CO 0.02 -0.27 0.44 0.50 0.09 0.00 0.00 178.44 179.22 2dmw h LYS 122 N -0.67 0.36 0.56 1.13 3.64 -1.36 0.35 116.57 120.58 2dmw h LYS 122 Ca -0.06 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 2dmw h LYS 122 Cb 0.42 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2dmw h LYS 122 CO 0.09 0.24 -0.27 1.25 -2.27 0.00 0.00 179.45 178.49 2dmw h HIS 123 N 0.37 -0.70 0.41 1.91 2.76 -1.34 -3.34 115.15 115.22 2dmw h HIS 123 Ca 0.61 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.75 2dmw h HIS 123 Cb 1.25 0.23 -0.01 0.00 1.55 0.00 0.00 27.41 30.42 2dmw h HIS 123 CO -0.11 -0.37 -0.34 1.25 -1.30 0.00 0.00 177.93 177.06 2dmw h HIS 124 N -1.04 -0.94 -3.39 5.26 -0.00 0.23 -3.43 115.15 111.84 2dmw h HIS 124 Ca -0.08 0.00 -0.57 0.00 -0.00 0.00 0.00 60.37 59.72 2dmw h HIS 124 Cb 0.64 0.36 0.13 0.00 -0.00 0.00 0.00 27.41 28.54 2dmw h HIS 124 CO 0.01 -0.48 0.32 0.45 -0.00 0.00 0.00 177.93 178.23 2dmw n SER 125 N -4.49 1.80 -2.27 3.26 2.88 0.11 -4.90 113.62 110.01 2dmw n SER 125 Ca -0.09 1.03 -0.32 0.00 -1.33 0.00 0.00 58.87 58.16 2dmw n SER 125 Cb 0.33 -1.43 0.09 0.00 -0.75 0.00 0.00 64.21 62.45 2dmw n SER 125 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dmw n SER 126 N 0.10 6.85 0.00 -3.46 2.88 -1.26 -4.40 113.62 114.32 2dmw n SER 126 Ca 0.09 -3.76 0.00 0.00 -1.33 0.00 0.00 58.87 53.87 2dmw n SER 126 Cb 0.41 -0.91 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 2dmw n SER 126 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmw n GLY 127 N -0.94 -0.23 0.21 0.46 0.00 -1.26 -4.15 105.19 99.28 2dmw n GLY 127 Ca 0.61 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.78 2dmw n GLY 127 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmw h PRO 128 N 0.00 0.00 0.00 1.61 0.13 -1.84 -3.29 132.00 128.61 2dmw h PRO 128 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 2dmw h PRO 128 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2dmw h PRO 128 CO 0.00 0.00 -1.10 0.45 -0.23 0.00 0.00 178.00 177.12 2dmw n SER 129 N -2.71 1.88 -4.74 1.44 2.88 -1.26 -4.93 113.62 106.18 2dmw n SER 129 Ca 0.01 0.46 -0.40 0.00 -1.33 0.00 0.00 58.87 57.61 2dmw n SER 129 Cb 0.26 -0.84 -0.05 0.00 -0.75 0.00 0.00 64.21 62.83 2dmw n SER 129 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dmw s SER 130 N -6.27 7.49 0.00 -3.46 0.15 -1.24 -5.10 113.70 105.27 2dmw s SER 130 Ca -0.25 1.77 0.00 0.00 0.70 0.00 0.00 55.95 58.17 2dmw s SER 130 Cb 0.05 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 2dmw s SER 130 CO 0.39 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.47