#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 1.60 -3.59 1.61 2.88 -1.26 -4.85 113.62 110.01 2dmw n SER 2 Ca 0.00 -0.08 -0.13 0.00 -1.33 0.00 0.00 58.87 57.33 2dmw n SER 2 Cb 0.00 -1.29 -0.06 0.00 -0.75 0.00 0.00 64.21 62.10 2dmw n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dmw s SER 3 N 10.10 -0.57 -0.20 -3.46 0.15 -1.26 -5.17 113.70 113.29 2dmw s SER 3 Ca 1.13 0.87 -0.11 0.00 0.70 0.00 0.00 55.95 58.55 2dmw s SER 3 Cb -0.69 0.80 0.07 0.00 -1.71 0.00 0.00 66.02 64.50 2dmw s SER 3 CO 0.39 -0.35 0.49 -0.83 1.20 0.00 0.00 173.24 174.14 2dmw s GLY 4 N -0.43 -0.42 1.22 9.45 0.00 -1.26 -5.16 107.32 110.71 2dmw s GLY 4 Ca -0.03 1.77 -0.18 0.00 0.00 0.00 0.00 44.72 46.29 2dmw s GLY 4 CO 0.02 1.99 1.05 -0.56 0.00 0.00 0.00 173.10 175.60 2dmw s SER 5 N 1.65 0.73 -0.17 1.64 0.01 -1.26 -5.08 113.70 111.22 2dmw s SER 5 Ca -0.09 0.94 -0.14 0.00 1.31 0.00 0.00 55.95 57.97 2dmw s SER 5 Cb -0.08 -1.39 0.05 0.00 0.21 0.00 0.00 66.02 64.81 2dmw s SER 5 CO -0.15 -4.28 0.44 -0.94 0.41 0.00 0.00 173.24 168.73 2dmw s SER 6 N -3.39 -0.50 0.00 2.44 1.04 -1.26 -5.10 113.70 106.93 2dmw s SER 6 Ca 0.69 0.92 0.00 0.00 0.48 0.00 0.00 55.95 58.04 2dmw s SER 6 Cb -0.15 0.88 0.00 0.00 0.10 0.00 0.00 66.02 66.85 2dmw s SER 6 CO 0.58 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.24 2dmw n GLY 7 N 3.34 -0.43 3.57 7.32 0.00 -1.26 -4.30 105.19 113.43 2dmw n GLY 7 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 2dmw n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2dmw n MET 8 N -1.90 1.18 -3.64 1.61 -0.00 -1.26 -4.72 117.12 108.39 2dmw n MET 8 Ca 0.00 0.42 -0.00 0.00 -0.00 0.00 0.00 57.70 58.12 2dmw n MET 8 Cb 0.00 -1.83 -0.01 0.00 -0.00 0.00 0.00 33.22 31.38 2dmw n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2dmw s ALA 9 N -1.20 -2.09 0.34 3.17 0.00 -1.26 -4.96 121.76 115.76 2dmw s ALA 9 Ca 0.61 0.64 -0.26 0.00 0.00 0.00 0.00 51.96 52.95 2dmw s ALA 9 Cb -0.64 0.39 -0.13 0.00 0.00 0.00 0.00 23.12 22.74 2dmw s ALA 9 CO 0.58 -1.02 0.81 -0.89 0.00 0.00 0.00 175.76 175.25 2dmw n ILE 10 N -0.46 2.01 0.00 0.00 5.41 -1.26 -4.57 119.36 120.49 2dmw n ILE 10 Ca -0.07 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.18 2dmw n ILE 10 Cb 0.62 -0.76 0.00 0.00 -0.71 0.00 0.00 39.64 38.79 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 1.21 1.08 -4.45 1.39 4.77 -0.94 -4.97 117.00 115.09 2dmw n LEU 11 Ca 0.11 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.76 2dmw n LEU 11 Cb 0.35 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.31 2dmw n LEU 11 CO 0.57 0.18 -0.41 0.12 -1.33 0.00 0.00 177.39 176.52 2dmw s PHE 12 N -1.43 2.88 -0.30 -1.77 2.19 -1.22 -3.14 117.98 115.20 2dmw s PHE 12 Ca 0.00 -0.39 -0.08 0.00 0.33 0.00 0.00 56.93 56.79 2dmw s PHE 12 Cb 0.00 -1.83 0.15 0.00 -1.31 0.00 0.00 43.02 40.03 2dmw s PHE 12 CO 0.00 -0.03 0.66 0.00 1.83 0.00 0.00 175.22 177.68 2dmw s ALA 13 N 0.05 -2.18 0.04 11.12 0.00 -1.26 -0.97 121.76 128.57 2dmw s ALA 13 Ca -0.03 2.17 -0.01 0.00 0.00 0.00 0.00 51.96 54.09 2dmw s ALA 13 Cb -0.14 -1.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 2dmw s ALA 13 CO 0.04 -1.06 -0.02 0.14 0.00 0.00 0.00 175.76 174.86 2dmw s VAL 14 N 2.86 0.17 -0.26 0.00 -7.23 -1.07 -3.75 120.40 111.13 2dmw s VAL 14 Ca 0.02 -1.38 -0.03 0.00 -1.81 0.00 0.00 61.98 58.78 2dmw s VAL 14 Cb -0.12 -0.96 0.03 0.00 0.56 0.00 0.00 36.38 35.88 2dmw s VAL 14 CO -0.19 -0.76 -0.03 -0.69 -0.31 0.00 0.00 175.10 173.12 2dmw s VAL 15 N -2.82 3.09 -0.02 1.32 1.01 -0.93 -3.07 120.40 118.97 2dmw s VAL 15 Ca -0.03 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 60.94 2dmw s VAL 15 Cb -0.00 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.80 2dmw s VAL 15 CO -0.06 0.14 -0.01 0.00 0.00 0.00 0.00 175.10 175.17 2dmw s ALA 16 N 1.35 0.29 -0.82 5.51 0.00 -0.60 -2.08 121.76 125.40 2dmw s ALA 16 Ca -0.00 0.07 -0.22 0.00 0.00 0.00 0.00 51.96 51.81 2dmw s ALA 16 Cb -0.17 -0.23 0.08 0.00 0.00 0.00 0.00 23.12 22.80 2dmw s ALA 16 CO -0.03 -0.02 1.16 -0.98 0.00 0.00 0.00 175.76 175.89 2dmw s ARG 17 N 0.63 3.36 1.45 0.00 1.70 0.03 -0.61 118.95 125.51 2dmw s ARG 17 Ca -0.06 -1.05 0.00 0.00 -0.47 0.00 0.00 55.73 54.14 2dmw s ARG 17 Cb -0.09 -4.64 0.00 0.00 -0.57 0.00 0.00 34.95 29.64 2dmw s ARG 17 CO -0.01 -1.94 0.00 0.41 -1.08 0.00 0.00 175.30 172.68 2dmw n GLY 18 N 5.70 2.31 0.00 3.88 0.00 -1.26 -2.93 105.19 112.89 2dmw n GLY 18 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.14 2.61 -2.24 -1.26 -4.23 114.28 106.01 2dmw n THR 19 Ca 0.00 -0.14 -0.40 0.00 -2.27 0.00 0.00 64.05 61.25 2dmw n THR 19 Cb 0.00 0.60 -0.06 0.00 -2.10 0.00 0.00 70.33 68.78 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 -1.09 5.04 -0.20 4.28 2.01 -1.15 -4.96 115.64 119.57 2dmw s THR 20 Ca 0.00 1.14 -0.18 0.00 0.31 0.00 0.00 61.69 62.97 2dmw s THR 20 Cb 0.00 -3.92 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 2dmw s THR 20 CO 0.00 0.13 0.49 -0.63 -0.69 0.00 0.00 174.62 173.92 2dmw s ILE 21 N 1.80 5.12 -0.10 1.82 1.01 -1.26 -0.79 121.20 128.80 2dmw s ILE 21 Ca 0.28 0.89 -0.05 0.00 0.00 0.00 0.00 60.65 61.77 2dmw s ILE 21 Cb -0.16 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 2dmw s ILE 21 CO 0.10 0.19 -0.11 -0.07 0.00 0.00 0.00 174.94 175.05 2dmw h LEU 22 N 7.95 0.00 -7.53 2.97 3.38 -1.80 -3.34 115.31 116.95 2dmw h LEU 22 Ca -0.34 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.15 2dmw h LEU 22 Cb 1.15 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.53 2dmw h LEU 22 CO 0.73 0.52 -0.78 0.00 0.09 0.00 0.00 178.44 179.00 2dmw s ALA 23 N -2.78 0.98 -0.02 1.53 0.00 -1.19 -2.95 121.76 117.33 2dmw s ALA 23 Ca -0.09 -0.37 0.07 0.00 0.00 0.00 0.00 51.96 51.57 2dmw s ALA 23 Cb 0.01 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 22.24 2dmw s ALA 23 CO 0.13 -0.56 -0.22 -1.59 0.00 0.00 0.00 175.76 173.51 2dmw s LYS 24 N 1.86 1.82 -0.28 0.00 -2.85 -1.26 -2.18 119.74 116.84 2dmw s LYS 24 Ca 0.04 -0.80 -0.00 0.00 -1.00 0.00 0.00 55.97 54.21 2dmw s LYS 24 Cb -0.13 -1.75 0.18 0.00 -2.06 0.00 0.00 37.83 34.06 2dmw s LYS 24 CO -0.07 0.48 0.53 -1.58 0.10 0.00 0.00 175.35 174.81 2dmw s HIS 25 N -0.51 -1.41 0.33 1.78 2.46 -1.25 -4.89 115.29 111.80 2dmw s HIS 25 Ca 0.08 1.31 0.08 0.00 0.47 0.00 0.00 55.06 57.00 2dmw s HIS 25 Cb -0.09 0.35 -0.06 0.00 -0.13 0.00 0.00 32.58 32.64 2dmw s HIS 25 CO -0.01 -0.88 -0.06 0.00 -2.47 0.00 0.00 174.74 171.33 2dmw s ALA 26 N 2.76 2.75 0.59 1.58 0.00 -1.26 -4.24 121.76 123.94 2dmw s ALA 26 Ca 0.17 -2.06 -0.17 0.00 0.00 0.00 0.00 51.96 49.89 2dmw s ALA 26 Cb -0.14 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 2dmw s ALA 26 CO -0.21 -0.03 1.09 -1.58 0.00 0.00 0.00 175.76 175.03 2dmw s TRP 27 N -2.80 2.80 -0.08 0.00 0.52 -1.19 -4.98 118.94 113.22 2dmw s TRP 27 Ca 0.32 1.54 -0.30 0.00 0.02 0.00 0.00 56.10 57.68 2dmw s TRP 27 Cb 0.04 -3.12 -0.03 0.00 -1.15 0.00 0.00 33.47 29.21 2dmw s TRP 27 CO 0.15 -1.37 1.25 0.00 0.02 0.00 0.00 176.95 177.00 2dmw n GLY 29 N 3.49 1.02 0.00 0.00 0.00 -1.26 -5.14 105.19 103.29 2dmw n GLY 29 Ca 0.12 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 0.16 2.44 3.56 -0.02 0.00 -1.26 -5.02 105.19 105.05 2dmw n GLY 30 Ca 0.00 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 5.42 -0.17 1.61 2.47 -1.26 -4.63 114.94 118.39 2dmw s ASN 31 Ca 0.00 -1.09 0.17 0.00 0.42 0.00 0.00 52.86 52.36 2dmw s ASN 31 Cb 0.00 -2.57 -0.23 0.00 -1.45 0.00 0.00 41.25 37.00 2dmw s ASN 31 CO 0.00 -2.53 0.10 0.49 -3.72 0.00 0.00 177.10 171.44 2dmw n PHE 32 N 12.96 0.00 -0.25 0.43 3.72 -1.26 -4.37 117.46 128.69 2dmw n PHE 32 Ca 0.40 0.00 0.31 0.00 -0.05 0.00 0.00 57.45 58.12 2dmw n PHE 32 Cb 0.47 -0.86 0.73 0.00 -0.94 0.00 0.00 39.48 38.88 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 0.02 0.30 4.37 5.85 -1.99 0.14 115.31 124.00 2dmw h LEU 33 Ca -0.45 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 2dmw h LEU 33 Cb 2.01 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.04 2dmw h LEU 33 CO 0.02 0.01 -0.14 -0.08 -0.34 0.00 0.00 178.44 177.91 2dmw h GLU 34 N 0.02 -0.38 -0.62 1.25 4.81 -1.97 -1.77 114.58 115.92 2dmw h GLU 34 Ca 0.49 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.85 2dmw h GLU 34 Cb 1.93 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 31.36 2dmw h GLU 34 CO -0.02 -0.26 0.42 -0.24 -0.73 0.00 0.00 179.01 178.18 2dmw h VAL 35 N -0.59 0.90 0.81 0.32 3.04 -1.64 -2.40 116.25 116.68 2dmw h VAL 35 Ca -0.04 -0.15 -0.04 0.00 -1.01 0.00 0.00 66.70 65.46 2dmw h VAL 35 Cb 0.30 0.42 0.01 0.00 -2.01 0.00 0.00 31.29 30.02 2dmw h VAL 35 CO 0.07 0.08 -0.39 0.74 -1.01 0.00 0.00 177.57 177.06 2dmw h THR 36 N 0.43 0.00 -0.65 3.17 2.02 -0.78 -2.26 112.91 114.84 2dmw h THR 36 Ca 0.29 -0.16 0.14 0.00 0.77 0.00 0.00 66.41 67.44 2dmw h THR 36 Cb 0.55 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.84 2dmw h THR 36 CO -0.08 0.00 -0.02 -0.33 0.37 0.00 0.00 175.52 175.45 2dmw h GLU 37 N -1.25 0.09 -0.38 6.66 5.08 -1.04 0.31 114.58 124.06 2dmw h GLU 37 Ca -0.11 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.31 2dmw h GLU 37 Cb 0.83 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.00 2dmw h GLU 37 CO 0.18 0.06 -0.02 1.96 -1.00 0.00 0.00 179.01 180.19 2dmw h GLN 38 N 0.09 0.08 -0.50 2.33 4.20 -1.42 -1.73 115.11 118.16 2dmw h GLN 38 Ca 0.34 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.04 2dmw h GLN 38 Cb 0.56 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 2dmw h GLN 38 CO -0.58 0.05 0.27 0.82 -0.67 0.00 0.00 178.83 178.72 2dmw h ILE 39 N 0.08 1.17 -0.63 2.54 1.08 -0.47 -2.78 117.51 118.50 2dmw h ILE 39 Ca 0.19 -0.44 0.11 0.00 -0.39 0.00 0.00 64.86 64.33 2dmw h ILE 39 Cb 0.27 0.55 -0.08 0.00 -3.07 0.00 0.00 36.82 34.49 2dmw h ILE 39 CO -0.33 0.18 0.20 -0.07 -0.69 0.00 0.00 178.15 177.44 2dmw h LEU 40 N 0.67 0.14 0.00 1.44 3.38 -0.27 0.57 115.31 121.24 2dmw h LEU 40 Ca 0.18 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2dmw h LEU 40 Cb 0.05 0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2dmw h LEU 40 CO -0.03 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.58 2dmw n ALA 41 N -2.53 1.69 -0.10 1.53 0.00 -0.72 -2.08 120.51 118.30 2dmw n ALA 41 Ca 0.10 -0.05 -0.11 0.00 0.00 0.00 0.00 53.44 53.38 2dmw n ALA 41 Cb 0.32 -1.18 -0.14 0.00 0.00 0.00 0.00 19.45 18.45 2dmw n ALA 41 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2dmw n LYS 42 N -1.27 0.90 -2.84 0.00 0.00 0.18 -4.94 118.16 110.18 2dmw n LYS 42 Ca 0.05 0.02 -0.41 0.00 0.00 0.00 0.00 58.31 57.97 2dmw n LYS 42 Cb 0.09 -1.48 -0.04 0.00 0.00 0.00 0.00 35.03 33.60 2dmw n LYS 42 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2dmw s ILE 43 N -2.45 4.81 1.10 3.15 1.01 -0.32 -5.05 121.20 123.45 2dmw s ILE 43 Ca -0.14 1.84 -0.16 0.00 0.00 0.00 0.00 60.65 62.20 2dmw s ILE 43 Cb 0.06 -4.22 0.24 0.00 0.01 0.00 0.00 42.46 38.55 2dmw s ILE 43 CO 0.72 0.25 1.10 -2.16 0.00 0.00 0.00 174.94 174.85 2dmw s PRO 44 N 0.55 -0.39 -0.44 2.79 0.04 -1.26 -4.89 135.00 131.39 2dmw s PRO 44 Ca 0.45 0.23 0.04 0.00 0.04 0.00 0.00 61.00 61.76 2dmw s PRO 44 Cb -0.21 -1.67 0.53 0.00 0.04 0.00 0.00 34.50 33.19 2dmw s PRO 44 CO 0.25 -3.22 1.71 0.43 0.04 0.00 0.00 177.00 176.21 2dmw n SER 45 N -4.47 4.65 -4.59 6.66 7.64 -1.26 -4.88 113.62 117.37 2dmw n SER 45 Ca 0.09 -3.74 -0.28 0.00 1.01 0.00 0.00 58.87 55.94 2dmw n SER 45 Cb 0.58 -0.74 -0.09 0.00 -1.01 0.00 0.00 64.21 62.95 2dmw n SER 45 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2dmw s GLU 46 N -3.48 2.14 -0.71 1.43 -1.05 -1.26 -4.78 118.70 110.99 2dmw s GLU 46 Ca 0.55 -1.12 -0.25 0.00 -0.15 0.00 0.00 54.97 53.99 2dmw s GLU 46 Cb 0.46 -2.26 -0.14 0.00 -0.44 0.00 0.00 34.13 31.74 2dmw s GLU 46 CO 0.03 0.47 2.43 0.27 0.95 0.00 0.00 175.26 179.42 2dmw n ASN 47 N 0.34 1.48 -3.64 0.83 0.23 -1.26 -4.81 115.26 108.42 2dmw n ASN 47 Ca -0.12 -0.71 -0.06 0.00 -0.53 0.00 0.00 54.58 53.16 2dmw n ASN 47 Cb 0.54 -1.41 -0.07 0.00 -2.08 0.00 0.00 39.78 36.76 2dmw n ASN 47 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 2dmw s ASN 48 N 10.14 -0.30 0.31 0.53 2.47 -1.26 -5.07 114.94 121.76 2dmw s ASN 48 Ca 1.06 0.57 0.05 0.00 0.42 0.00 0.00 52.86 54.96 2dmw s ASN 48 Cb -0.39 0.65 -0.06 0.00 -1.45 0.00 0.00 41.25 40.00 2dmw s ASN 48 CO 0.27 -0.10 0.01 -1.59 -3.72 0.00 0.00 177.10 171.98 2dmw s LYS 49 N 0.29 1.63 -0.18 0.43 -2.85 -1.26 -4.09 119.74 113.71 2dmw s LYS 49 Ca 0.03 -1.88 -0.31 0.00 -1.00 0.00 0.00 55.97 52.81 2dmw s LYS 49 Cb -0.05 -1.03 0.14 0.00 -2.06 0.00 0.00 37.83 34.84 2dmw s LYS 49 CO -0.10 -0.10 1.12 -1.17 0.10 0.00 0.00 175.35 175.20 2dmw s LEU 50 N -3.49 -0.24 -0.35 2.77 0.20 -1.26 -5.10 118.68 111.22 2dmw s LEU 50 Ca 0.34 0.19 -0.16 0.00 0.69 0.00 0.00 54.13 55.18 2dmw s LEU 50 Cb 0.07 1.59 -0.01 0.00 -0.43 0.00 0.00 46.19 47.41 2dmw s LEU 50 CO 0.14 -0.27 0.42 -0.89 -0.29 0.00 0.00 176.35 175.46 2dmw s THR 51 N -1.57 5.11 -0.26 3.68 2.01 -1.26 -4.12 115.64 119.23 2dmw s THR 51 Ca 0.04 0.13 -0.08 0.00 0.31 0.00 0.00 61.69 62.08 2dmw s THR 51 Cb -0.01 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 2dmw s THR 51 CO -0.03 -0.16 0.10 -0.47 -0.69 0.00 0.00 174.62 173.37 2dmw s TYR 52 N 2.16 3.13 -0.78 4.92 6.14 -0.73 -5.00 117.35 127.18 2dmw s TYR 52 Ca 0.14 -0.25 -0.11 0.00 0.64 0.00 0.00 57.07 57.49 2dmw s TYR 52 Cb -0.16 -2.27 0.21 0.00 0.42 0.00 0.00 41.96 40.15 2dmw s TYR 52 CO 0.12 -0.28 0.69 -1.54 0.64 0.00 0.00 175.55 175.18 2dmw s SER 53 N 1.61 6.41 -0.13 4.32 1.04 -1.26 0.45 113.70 126.13 2dmw s SER 53 Ca 0.06 -2.73 -0.17 0.00 0.48 0.00 0.00 55.95 53.60 2dmw s SER 53 Cb -0.15 -2.13 -0.04 0.00 0.10 0.00 0.00 66.02 63.80 2dmw s SER 53 CO 0.06 -0.53 0.42 -2.28 0.98 0.00 0.00 173.24 171.89 2dmw s HIS 54 N 0.11 3.50 0.00 5.02 2.46 -0.79 -4.95 115.29 120.64 2dmw s HIS 54 Ca 0.18 0.80 0.00 0.00 0.47 0.00 0.00 55.06 56.51 2dmw s HIS 54 Cb -0.13 -2.48 0.00 0.00 -0.13 0.00 0.00 32.58 29.84 2dmw s HIS 54 CO -0.08 0.20 0.00 0.41 -2.47 0.00 0.00 174.74 172.81 2dmw n GLY 55 N 3.26 2.04 2.10 1.59 0.00 -1.26 -0.63 105.19 112.29 2dmw n GLY 55 Ca -0.09 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.11 6.19 -3.81 1.61 3.02 -1.26 -4.89 115.26 116.01 2dmw n ASN 56 Ca 0.00 -3.43 -0.12 0.00 -0.03 0.00 0.00 54.58 51.00 2dmw n ASN 56 Cb 0.00 -0.94 -0.09 0.00 -0.61 0.00 0.00 39.78 38.13 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 -2.88 -0.08 -0.02 3.10 1.51 0.19 -4.14 117.35 115.03 2dmw s TYR 57 Ca 0.49 0.09 -0.09 0.00 -1.01 0.00 0.00 57.07 56.56 2dmw s TYR 57 Cb 0.39 0.03 -0.05 0.00 -0.11 0.00 0.00 41.96 42.23 2dmw s TYR 57 CO 0.02 -0.34 0.27 -0.51 -1.11 0.00 0.00 175.55 173.88 2dmw s LEU 58 N -1.35 4.40 -0.36 -1.29 1.43 -0.97 -1.88 118.68 118.65 2dmw s LEU 58 Ca -0.14 0.64 0.02 0.00 -1.03 0.00 0.00 54.13 53.62 2dmw s LEU 58 Cb -0.06 -2.53 0.11 0.00 0.03 0.00 0.00 46.19 43.74 2dmw s LEU 58 CO 0.03 0.30 0.11 -0.36 0.23 0.00 0.00 176.35 176.67 2dmw s PHE 59 N -1.19 2.78 -0.21 0.29 0.40 0.17 -2.87 117.98 117.34 2dmw s PHE 59 Ca 0.24 -2.53 -0.08 0.00 -0.60 0.00 0.00 56.93 53.96 2dmw s PHE 59 Cb -0.14 -2.38 -0.04 0.00 0.51 0.00 0.00 43.02 40.98 2dmw s PHE 59 CO 0.13 -0.88 0.10 -1.01 0.70 0.00 0.00 175.22 174.25 2dmw s HIS 60 N 0.93 3.23 0.05 0.36 3.76 -1.19 -1.78 115.29 120.66 2dmw s HIS 60 Ca 0.12 0.02 0.04 0.00 -0.15 0.00 0.00 55.06 55.09 2dmw s HIS 60 Cb -0.20 -2.17 -0.03 0.00 1.11 0.00 0.00 32.58 31.29 2dmw s HIS 60 CO -0.12 0.02 -0.12 1.52 -0.85 0.00 0.00 174.74 175.19 2dmw s TYR 61 N 0.85 1.00 -0.01 1.40 -0.85 -1.26 -2.57 117.35 115.92 2dmw s TYR 61 Ca 0.05 -0.44 0.03 0.00 -0.52 0.00 0.00 57.07 56.19 2dmw s TYR 61 Cb -0.13 -0.58 -0.00 0.00 0.38 0.00 0.00 41.96 41.62 2dmw s TYR 61 CO 0.03 0.00 -0.10 0.42 -1.52 0.00 0.00 175.55 174.38 2dmw s ILE 62 N -1.19 0.81 -0.15 -3.49 1.01 -1.15 -4.09 121.20 112.95 2dmw s ILE 62 Ca -0.04 -0.42 -0.06 0.00 0.00 0.00 0.00 60.65 60.13 2dmw s ILE 62 Cb -0.09 -0.69 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 2dmw s ILE 62 CO 0.01 0.24 0.07 0.00 0.00 0.00 0.00 174.94 175.27 2dmw s GLN 64 N -0.22 0.25 -1.58 0.00 0.74 -1.07 -4.63 119.66 113.15 2dmw s GLN 64 Ca 0.08 0.50 -0.04 0.00 0.05 0.00 0.00 55.36 55.95 2dmw s GLN 64 Cb -0.12 0.16 0.01 0.00 1.10 0.00 0.00 33.01 34.16 2dmw s GLN 64 CO 0.01 -0.06 0.49 -3.47 -0.55 0.00 0.00 175.29 171.71 2dmw n ASP 65 N 4.03 -5.95 -2.17 6.67 -0.08 -1.26 -1.24 116.55 116.55 2dmw n ASP 65 Ca -0.14 -0.24 -0.18 0.00 -1.51 0.00 0.00 54.79 52.72 2dmw n ASP 65 Cb 0.56 -4.84 0.00 0.00 2.34 0.00 0.00 41.12 39.18 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 -3.84 -2.28 -4.06 -0.67 5.12 -1.26 -4.98 116.66 104.69 2dmw n ARG 66 Ca -0.13 0.82 -0.28 0.00 -1.93 0.00 0.00 57.85 56.33 2dmw n ARG 66 Cb 0.63 -5.31 -0.17 0.00 -1.16 0.00 0.00 32.46 26.45 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 -2.94 1.27 -0.25 0.55 -1.09 -0.37 -4.32 121.20 114.05 2dmw s ILE 67 Ca 0.08 -0.46 -0.12 0.00 -2.23 0.00 0.00 60.65 57.93 2dmw s ILE 67 Cb -0.04 -1.23 -0.05 0.00 -1.58 0.00 0.00 42.46 39.57 2dmw s ILE 67 CO 0.10 0.41 0.22 -0.69 -1.23 0.00 0.00 174.94 173.75 2dmw s VAL 68 N 1.47 5.30 -0.50 2.92 1.01 0.22 -2.58 120.40 128.24 2dmw s VAL 68 Ca 0.02 0.29 -0.04 0.00 0.00 0.00 0.00 61.98 62.24 2dmw s VAL 68 Cb -0.13 -3.56 0.13 0.00 0.00 0.00 0.00 36.38 32.82 2dmw s VAL 68 CO -0.07 0.28 0.32 -0.31 0.00 0.00 0.00 175.10 175.32 2dmw s TYR 69 N 1.44 3.51 0.08 5.22 1.51 -1.00 -1.56 117.35 126.55 2dmw s TYR 69 Ca 0.10 -2.38 -0.01 0.00 -1.01 0.00 0.00 57.07 53.76 2dmw s TYR 69 Cb -0.15 -3.29 -0.04 0.00 -0.11 0.00 0.00 41.96 38.37 2dmw s TYR 69 CO 0.08 -0.94 0.25 -1.17 -1.11 0.00 0.00 175.55 172.65 2dmw s LEU 70 N 0.80 4.34 -0.03 -1.29 0.20 -1.18 -2.92 118.68 118.60 2dmw s LEU 70 Ca 0.11 0.34 -0.18 0.00 0.69 0.00 0.00 54.13 55.09 2dmw s LEU 70 Cb -0.22 -3.04 0.03 0.00 -0.43 0.00 0.00 46.19 42.54 2dmw s LEU 70 CO -0.03 0.14 0.39 0.00 -0.29 0.00 0.00 176.35 176.56 2dmw s ILE 72 N -1.17 3.47 0.25 0.00 1.01 -0.14 -3.17 121.20 121.45 2dmw s ILE 72 Ca -0.12 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.02 2dmw s ILE 72 Cb -0.04 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 2dmw s ILE 72 CO 0.05 0.54 0.18 0.42 0.00 0.00 0.00 174.94 176.13 2dmw s THR 73 N -0.08 0.02 0.16 2.92 -4.23 -1.14 -2.21 115.64 111.08 2dmw s THR 73 Ca -0.00 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.23 2dmw s THR 73 Cb -0.13 -2.50 -0.07 0.00 1.34 0.00 0.00 72.50 71.13 2dmw s THR 73 CO 0.03 0.00 0.88 -1.81 -0.54 0.00 0.00 174.62 173.18 2dmw s ASP 74 N -3.24 7.48 0.21 3.99 1.11 -1.26 -2.30 116.67 122.65 2dmw s ASP 74 Ca 0.39 1.76 -0.18 0.00 0.18 0.00 0.00 52.55 54.70 2dmw s ASP 74 Cb 0.05 -2.55 0.20 0.00 1.07 0.00 0.00 42.92 41.69 2dmw s ASP 74 CO 0.17 0.09 1.57 -2.24 1.18 0.00 0.00 175.17 175.95 2dmw h ASP 75 N 4.80 -1.23 -1.01 0.27 2.03 -1.91 0.56 116.42 119.94 2dmw h ASP 75 Ca -0.45 0.26 0.22 0.00 -0.73 0.00 0.00 57.03 56.34 2dmw h ASP 75 Cb 1.21 0.64 -0.11 0.00 -0.83 0.00 0.00 39.33 40.23 2dmw h ASP 75 CO 0.69 -0.29 0.61 0.44 -1.03 0.00 0.00 179.24 179.65 2dmw h ASP 76 N -0.08 0.73 -2.71 4.15 5.19 -1.93 -3.42 116.42 118.34 2dmw h ASP 76 Ca 0.30 0.12 -0.58 0.00 -0.62 0.00 0.00 57.03 56.25 2dmw h ASP 76 Cb 0.58 -0.01 0.19 0.00 0.18 0.00 0.00 39.33 40.27 2dmw h ASP 76 CO -0.83 0.19 -0.73 0.33 -3.12 0.00 0.00 179.24 175.08 2dmw n PHE 77 N -4.82 -1.71 -3.22 4.55 7.35 0.20 -4.95 117.46 114.85 2dmw n PHE 77 Ca 0.25 0.37 -0.30 0.00 -0.76 0.00 0.00 57.45 57.01 2dmw n PHE 77 Cb 0.66 -1.82 -0.04 0.00 0.35 0.00 0.00 39.48 38.63 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 -2.04 3.76 0.01 -4.13 2.56 -1.26 -4.95 118.70 112.65 2dmw s GLU 78 Ca 0.62 0.27 -0.25 0.00 0.00 0.00 0.00 54.97 55.61 2dmw s GLU 78 Cb -0.40 -2.56 -0.18 0.00 2.00 0.00 0.00 34.13 32.99 2dmw s GLU 78 CO 0.61 0.17 1.40 0.00 -0.56 0.00 0.00 175.26 176.89 2dmw h ARG 79 N 1.88 0.02 -0.52 4.30 -0.00 -1.94 -3.13 114.38 115.00 2dmw h ARG 79 Ca -0.47 -0.01 0.05 0.00 -0.50 0.00 0.00 59.98 59.05 2dmw h ARG 79 Cb 1.18 -0.00 -0.07 0.00 0.00 0.00 0.00 29.97 31.08 2dmw h ARG 79 CO 0.66 0.37 -0.39 1.03 0.00 0.00 0.00 179.97 181.64 2dmw h SER 80 N -0.33 -1.39 -0.65 7.04 0.87 -1.98 0.13 113.55 117.24 2dmw h SER 80 Ca 0.00 0.20 0.12 0.00 -1.23 0.00 0.00 61.79 60.88 2dmw h SER 80 Cb 0.36 0.60 -0.12 0.00 -0.44 0.00 0.00 62.40 62.80 2dmw h SER 80 CO 0.00 -0.20 -0.29 0.03 -0.53 0.00 0.00 176.83 175.84 2dmw h ARG 81 N -0.11 -0.10 0.23 2.24 3.08 -1.99 0.39 114.38 118.12 2dmw h ARG 81 Ca 0.08 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 2dmw h ARG 81 Cb 0.33 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2dmw h ARG 81 CO -0.54 -0.07 -0.27 0.00 -1.07 0.00 0.00 179.97 178.01 2dmw h ALA 82 N 1.23 -0.94 -0.98 0.04 0.00 -1.01 -0.84 119.26 116.76 2dmw h ALA 82 Ca 0.27 -0.09 0.24 0.00 0.00 0.00 0.00 54.91 55.33 2dmw h ALA 82 Cb 0.55 0.54 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 2dmw h ALA 82 CO -0.71 -0.96 0.65 0.74 0.00 0.00 0.00 179.25 178.96 2dmw h PHE 83 N -0.52 0.53 0.39 0.00 0.04 -0.29 -2.29 116.94 114.80 2dmw h PHE 83 Ca -0.03 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 2dmw h PHE 83 Cb 0.46 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.45 2dmw h PHE 83 CO -0.21 0.10 -0.19 -0.91 -0.60 0.00 0.00 178.31 176.50 2dmw h ASN 84 N 0.36 -0.44 -0.83 2.17 2.35 0.46 -1.87 115.58 117.78 2dmw h ASN 84 Ca 0.52 0.02 0.16 0.00 -0.55 0.00 0.00 56.30 56.46 2dmw h ASN 84 Cb 1.40 0.11 -0.16 0.00 0.05 0.00 0.00 38.32 39.73 2dmw h ASN 84 CO -0.21 -0.29 -0.21 0.15 -1.65 0.00 0.00 177.43 175.22 2dmw h PHE 85 N -0.56 -0.46 -0.43 1.19 3.57 -0.69 0.26 116.94 119.83 2dmw h PHE 85 Ca -0.05 0.08 0.08 0.00 3.53 0.00 0.00 57.97 61.60 2dmw h PHE 85 Cb 0.40 0.33 -0.06 0.00 2.79 0.00 0.00 35.95 39.40 2dmw h PHE 85 CO 0.12 -0.36 0.04 -0.07 -2.23 0.00 0.00 178.31 175.82 2dmw h LEU 86 N -0.00 -0.09 -1.08 0.59 3.38 -1.41 -1.18 115.31 115.52 2dmw h LEU 86 Ca 0.40 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.46 2dmw h LEU 86 Cb 0.61 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.45 2dmw h LEU 86 CO -0.86 -0.01 0.62 0.78 0.09 0.00 0.00 178.44 179.06 2dmw h ASN 87 N 0.16 1.07 0.23 -0.43 -0.26 0.31 0.59 115.58 117.25 2dmw h ASN 87 Ca 0.21 -0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.91 2dmw h ASN 87 Cb 0.29 -0.27 -0.00 0.00 -1.06 0.00 0.00 38.32 37.28 2dmw h ASN 87 CO -0.32 0.78 -0.16 -0.33 -1.06 0.00 0.00 177.43 176.34 2dmw h GLU 88 N 1.27 -0.35 -0.25 0.81 4.39 0.13 -0.70 114.58 119.87 2dmw h GLU 88 Ca 0.34 0.02 -0.05 0.00 0.34 0.00 0.00 59.36 60.01 2dmw h GLU 88 Cb -0.14 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2dmw h GLU 88 CO -0.07 -0.24 -0.08 -0.84 -1.16 0.00 0.00 179.01 176.62 2dmw h ILE 89 N -0.37 1.20 -0.71 3.13 3.07 -1.38 -2.21 117.51 120.24 2dmw h ILE 89 Ca -0.03 -0.83 0.06 0.00 1.55 0.00 0.00 64.86 65.60 2dmw h ILE 89 Cb 0.30 1.10 -0.06 0.00 -0.27 0.00 0.00 36.82 37.90 2dmw h ILE 89 CO 0.02 0.27 0.41 0.50 -1.05 0.00 0.00 178.15 178.30 2dmw h LYS 90 N 0.37 0.74 -0.10 0.16 3.64 0.32 0.11 116.57 121.80 2dmw h LYS 90 Ca 0.08 -0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.20 2dmw h LYS 90 Cb 0.38 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2dmw h LYS 90 CO 0.02 0.49 -0.81 0.87 -2.27 0.00 0.00 179.45 177.75 2dmw h LYS 91 N 0.76 0.64 0.09 1.90 1.57 -0.82 -2.27 116.57 118.43 2dmw h LYS 91 Ca 0.31 -0.55 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2dmw h LYS 91 Cb 0.17 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2dmw h LYS 91 CO -0.17 1.17 -0.04 0.00 -0.57 0.00 0.00 179.45 179.83 2dmw h ARG 92 N 0.42 -0.11 0.56 3.15 3.08 -0.85 0.39 114.38 121.02 2dmw h ARG 92 Ca -0.06 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 2dmw h ARG 92 Cb 1.42 0.03 0.01 0.00 0.08 0.00 0.00 29.97 31.50 2dmw h ARG 92 CO 0.16 0.01 -0.27 0.35 -1.07 0.00 0.00 179.97 179.15 2dmw h PHE 93 N -0.21 -0.69 -0.14 3.04 3.04 -0.88 0.72 116.94 121.83 2dmw h PHE 93 Ca -0.01 -0.02 0.04 0.00 3.98 0.00 0.00 57.97 61.96 2dmw h PHE 93 Cb 0.17 0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.91 2dmw h PHE 93 CO -0.04 -0.38 0.19 -0.56 -2.02 0.00 0.00 178.31 175.50 2dmw h GLN 94 N -0.88 0.00 0.00 1.11 3.07 -1.43 1.41 115.11 118.39 2dmw h GLN 94 Ca -0.08 0.00 -0.23 0.00 0.09 0.00 0.00 58.65 58.44 2dmw h GLN 94 Cb 0.62 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.14 2dmw h GLN 94 CO 0.13 0.00 -1.66 2.41 0.09 0.00 0.00 178.83 179.80 2dmw n THR 95 N -3.61 1.31 -0.06 1.86 -1.04 0.12 -3.13 114.28 109.74 2dmw n THR 95 Ca 0.01 -0.74 -0.05 0.00 -2.04 0.00 0.00 64.05 61.22 2dmw n THR 95 Cb 0.30 -0.78 -0.02 0.00 -1.82 0.00 0.00 70.33 68.01 2dmw n THR 95 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2dmw n THR 96 N -2.90 1.00 -1.61 12.58 -1.04 0.25 -4.68 114.28 117.89 2dmw n THR 96 Ca -0.15 0.27 -0.16 0.00 -2.04 0.00 0.00 64.05 61.97 2dmw n THR 96 Cb 0.94 -2.09 0.12 0.00 -1.82 0.00 0.00 70.33 67.49 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 -3.84 1.99 0.10 -1.42 4.01 0.44 -4.76 117.16 113.68 2dmw n TYR 97 Ca -0.08 -2.06 -0.05 0.00 -0.16 0.00 0.00 57.90 55.55 2dmw n TYR 97 Cb 0.30 -0.63 -0.02 0.00 -0.31 0.00 0.00 39.34 38.68 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 1.53 -0.33 0.03 2.72 0.00 -0.33 -2.32 103.07 104.37 2dmw h GLY 98 Ca 0.34 0.12 0.12 0.00 0.00 0.00 0.00 47.33 47.91 2dmw h GLY 98 CO 0.73 -0.12 0.01 0.23 0.00 0.00 0.00 176.54 177.39 2dmw h SER 99 N -0.76 -0.23 -0.00 0.19 0.87 -1.86 0.22 113.55 111.97 2dmw h SER 99 Ca -0.03 0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 2dmw h SER 99 Cb 0.24 0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 2dmw h SER 99 CO 0.05 -0.09 -0.04 0.03 -0.53 0.00 0.00 176.83 176.26 2dmw h ARG 100 N 0.13 0.11 0.00 2.24 3.08 -1.90 -1.42 114.38 116.62 2dmw h ARG 100 Ca 0.30 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2dmw h ARG 100 Cb 0.47 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2dmw h ARG 100 CO -0.48 0.16 0.14 0.00 -1.07 0.00 0.00 179.97 178.72 2dmw h ALA 101 N 1.86 1.11 0.00 0.04 0.00 0.03 1.22 119.26 123.51 2dmw h ALA 101 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 2dmw h ALA 101 Cb 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2dmw h ALA 101 CO 0.01 -0.11 -2.03 1.04 0.00 0.00 0.00 179.25 178.16 2dmw n GLN 102 N -2.42 0.66 -0.02 0.00 1.13 -0.54 -4.75 117.38 111.45 2dmw n GLN 102 Ca -0.02 0.01 -0.03 0.00 -1.94 0.00 0.00 57.00 55.02 2dmw n GLN 102 Cb 0.17 -1.60 -0.01 0.00 0.11 0.00 0.00 30.24 28.91 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 -2.66 0.87 -1.07 5.09 -2.24 0.49 -5.03 114.28 109.73 2dmw n THR 103 Ca -0.19 0.27 -0.36 0.00 -2.27 0.00 0.00 64.05 61.49 2dmw n THR 103 Cb 0.92 -1.77 -0.02 0.00 -2.10 0.00 0.00 70.33 67.36 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 -3.48 -2.51 -1.18 6.98 0.00 0.39 -4.90 120.51 115.82 2dmw n ALA 104 Ca -0.05 0.28 -0.29 0.00 0.00 0.00 0.00 53.44 53.38 2dmw n ALA 104 Cb 0.20 -1.23 0.17 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.78 0.64 0.32 0.00 0.04 -1.26 -4.81 135.00 129.15 2dmw s PRO 105 Ca 0.49 0.60 -0.29 0.00 0.04 0.00 0.00 61.00 61.84 2dmw s PRO 105 Cb -0.67 -1.76 -0.10 0.00 0.04 0.00 0.00 34.50 32.01 2dmw s PRO 105 CO 0.45 -2.61 1.22 -1.25 0.04 0.00 0.00 177.00 174.86 2dmw s PRO 106 N -4.96 4.43 -1.29 0.56 0.04 -1.26 -3.34 135.00 129.18 2dmw s PRO 106 Ca 0.65 2.04 -0.06 0.00 0.04 0.00 0.00 61.00 63.67 2dmw s PRO 106 Cb -0.18 -3.08 0.01 0.00 0.04 0.00 0.00 34.50 31.28 2dmw s PRO 106 CO 0.57 -0.06 1.11 0.66 0.04 0.00 0.00 177.00 179.33 2dmw n TYR 107 N 0.87 -2.64 -0.12 0.56 4.01 -1.15 -4.92 117.16 113.77 2dmw n TYR 107 Ca -0.00 0.98 -0.15 0.00 -0.16 0.00 0.00 57.90 58.56 2dmw n TYR 107 Cb 0.43 -4.99 -0.13 0.00 -0.31 0.00 0.00 39.34 34.34 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 -4.71 1.47 -2.71 -0.72 0.00 -1.21 -4.63 120.51 108.00 2dmw n ALA 108 Ca -0.08 -1.17 -0.24 0.00 0.00 0.00 0.00 53.44 51.95 2dmw n ALA 108 Cb 0.59 -0.12 -0.01 0.00 0.00 0.00 0.00 19.45 19.91 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 -3.09 2.88 0.04 0.00 -0.00 -1.26 -4.80 117.12 110.89 2dmw n MET 109 Ca -0.41 -4.37 -0.15 0.00 -0.00 0.00 0.00 57.70 52.77 2dmw n MET 109 Cb 1.04 -2.07 -0.14 0.00 -0.00 0.00 0.00 33.22 32.04 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 2.79 0.28 0.26 3.17 -0.73 -1.82 -3.21 115.58 116.33 2dmw h ASN 110 Ca 0.18 -0.43 -0.01 0.00 1.87 0.00 0.00 56.30 57.90 2dmw h ASN 110 Cb 0.82 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 39.33 2dmw h ASN 110 CO 0.77 1.37 -0.13 0.77 -0.37 0.00 0.00 177.43 179.84 2dmw h SER 111 N 0.05 -0.30 0.20 1.15 4.64 -1.95 0.54 113.55 117.88 2dmw h SER 111 Ca -0.25 -0.17 0.01 0.00 -0.47 0.00 0.00 61.79 60.91 2dmw h SER 111 Cb 2.00 0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 64.14 2dmw h SER 111 CO 0.13 0.01 -0.28 -0.33 -0.87 0.00 0.00 176.83 175.49 2dmw h GLU 112 N -0.63 -0.53 -0.03 4.77 4.39 -1.94 -1.99 114.58 118.62 2dmw h GLU 112 Ca -0.04 0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 2dmw h GLU 112 Cb 0.45 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 2dmw h GLU 112 CO 0.06 -0.35 -0.29 0.35 -1.16 0.00 0.00 179.01 177.62 2dmw h PHE 113 N -0.55 0.05 -0.18 4.33 3.57 -1.60 -2.40 116.94 120.16 2dmw h PHE 113 Ca 0.01 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.54 2dmw h PHE 113 Cb 0.54 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 2dmw h PHE 113 CO -0.22 0.34 -0.04 1.03 -2.23 0.00 0.00 178.31 177.19 2dmw h SER 114 N 0.04 -0.16 -0.21 0.41 0.87 0.80 0.21 113.55 115.52 2dmw h SER 114 Ca 0.00 0.05 -0.11 0.00 -1.23 0.00 0.00 61.79 60.51 2dmw h SER 114 Cb 0.54 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.61 2dmw h SER 114 CO 0.04 -0.05 -0.30 0.28 -0.53 0.00 0.00 176.83 176.27 2dmw h SER 115 N 0.01 0.63 -0.25 6.23 0.02 -1.28 -2.36 113.55 116.54 2dmw h SER 115 Ca 0.09 -0.51 0.04 0.00 -0.84 0.00 0.00 61.79 60.56 2dmw h SER 115 Cb 0.13 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 2dmw h SER 115 CO -0.18 1.02 0.03 0.58 -1.14 0.00 0.00 176.83 177.14 2dmw h VAL 116 N 0.25 0.86 -0.02 2.27 2.07 -1.18 -2.10 116.25 118.40 2dmw h VAL 116 Ca 0.02 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 2dmw h VAL 116 Cb 0.88 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2dmw h VAL 116 CO 0.07 0.02 0.01 -0.07 0.02 0.00 0.00 177.57 177.63 2dmw h LEU 117 N 0.12 0.03 -0.76 2.57 3.38 -0.63 -2.08 115.31 117.94 2dmw h LEU 117 Ca 0.12 -0.07 0.17 0.00 0.09 0.00 0.00 57.88 58.19 2dmw h LEU 117 Cb 0.13 -0.01 -0.12 0.00 0.09 0.00 0.00 40.66 40.75 2dmw h LEU 117 CO -0.17 0.09 0.16 0.00 0.09 0.00 0.00 178.44 178.61 2dmw h ALA 118 N 0.94 0.97 -0.67 1.53 0.00 -1.15 0.15 119.26 121.03 2dmw h ALA 118 Ca 0.01 0.19 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2dmw h ALA 118 Cb 0.07 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2dmw h ALA 118 CO -0.00 -0.37 0.11 0.00 0.00 0.00 0.00 179.25 178.98 2dmw h ALA 119 N 1.65 0.89 -0.13 0.00 0.00 -1.14 -2.08 119.26 118.45 2dmw h ALA 119 Ca 0.43 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2dmw h ALA 119 Cb 0.77 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2dmw h ALA 119 CO -0.56 0.65 0.05 1.96 0.00 0.00 0.00 179.25 181.36 2dmw h GLN 120 N 1.03 0.19 0.69 0.00 1.08 -0.13 -1.83 115.11 116.13 2dmw h GLN 120 Ca 0.20 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.34 2dmw h GLN 120 Cb 0.44 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 2dmw h GLN 120 CO 0.01 0.28 -0.39 -0.07 -0.95 0.00 0.00 178.83 177.71 2dmw h LEU 121 N 0.05 -0.96 -0.63 1.46 3.38 -0.76 -1.07 115.31 116.78 2dmw h LEU 121 Ca 0.04 0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.17 2dmw h LEU 121 Cb 0.16 0.27 -0.12 0.00 0.09 0.00 0.00 40.66 41.06 2dmw h LEU 121 CO -0.00 -0.62 -0.30 0.11 0.09 0.00 0.00 178.44 177.72 2dmw h LYS 122 N -1.00 -0.12 0.16 1.13 1.57 -1.42 0.27 116.57 117.16 2dmw h LYS 122 Ca -0.09 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2dmw h LYS 122 Cb 0.79 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.08 2dmw h LYS 122 CO 0.12 -0.08 -0.46 1.25 -0.57 0.00 0.00 179.45 179.71 2dmw h HIS 123 N -0.12 -1.31 -0.34 -1.35 2.76 -1.24 -2.67 115.15 110.88 2dmw h HIS 123 Ca 0.26 0.03 0.07 0.00 -2.20 0.00 0.00 60.37 58.53 2dmw h HIS 123 Cb 0.55 0.55 -0.08 0.00 1.55 0.00 0.00 27.41 29.98 2dmw h HIS 123 CO -0.63 -0.56 -0.31 1.25 -1.30 0.00 0.00 177.93 176.38 2dmw h HIS 124 N -0.72 -0.84 -3.92 5.26 -0.00 -0.19 -3.42 115.15 111.32 2dmw h HIS 124 Ca 0.01 0.05 -0.44 0.00 -0.00 0.00 0.00 60.37 59.99 2dmw h HIS 124 Cb 0.73 0.42 0.17 0.00 -0.00 0.00 0.00 27.41 28.72 2dmw h HIS 124 CO -0.38 -0.37 0.35 -1.54 -0.00 0.00 0.00 177.93 175.98 2dmw s SER 125 N -5.05 2.62 -0.05 3.26 1.04 -0.01 -5.01 113.70 110.49 2dmw s SER 125 Ca -0.15 0.40 -0.24 0.00 0.48 0.00 0.00 55.95 56.44 2dmw s SER 125 Cb 0.13 -0.53 -0.26 0.00 0.10 0.00 0.00 66.02 65.47 2dmw s SER 125 CO 0.68 -3.05 0.97 -1.28 0.98 0.00 0.00 173.24 171.53 2dmw h SER 126 N -1.86 0.30 0.00 7.02 0.87 -1.75 -3.46 113.55 114.67 2dmw h SER 126 Ca -0.45 -0.85 0.00 0.00 -1.23 0.00 0.00 61.79 59.26 2dmw h SER 126 Cb 1.26 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2dmw h SER 126 CO 0.39 1.11 0.00 0.61 -0.53 0.00 0.00 176.83 178.41 2dmw n GLY 127 N 1.28 1.22 0.18 5.77 0.00 -1.26 -4.98 105.19 107.41 2dmw n GLY 127 Ca -0.11 -0.46 0.04 0.00 0.00 0.00 0.00 46.02 45.49 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 -6.80 1.61 0.13 -1.95 -3.44 132.00 121.56 2dmw h PRO 128 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.40 0.31 -1.12 -0.23 0.00 0.00 178.00 177.36 2dmw s SER 129 N -6.69 7.37 -0.29 1.44 0.01 -1.26 -5.06 113.70 109.22 2dmw s SER 129 Ca -0.02 1.79 -0.10 0.00 1.31 0.00 0.00 55.95 58.93 2dmw s SER 129 Cb 0.13 -2.56 0.12 0.00 0.21 0.00 0.00 66.02 63.92 2dmw s SER 129 CO 0.71 0.01 0.64 -0.55 0.41 0.00 0.00 173.24 174.46 2dmw s SER 130 N -1.51 -1.09 0.00 2.44 0.15 -1.26 -5.20 113.70 107.23 2dmw s SER 130 Ca 0.47 1.54 0.32 0.00 0.70 0.00 0.00 55.95 58.98 2dmw s SER 130 Cb -0.20 2.19 1.83 0.00 -1.71 0.00 0.00 66.02 68.13 2dmw s SER 130 CO 0.25 -0.22 2.18 0.61 1.20 0.00 0.00 173.24 177.26