#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 6.32 -0.06 1.61 0.01 -1.26 -5.11 113.70 115.21 2dmw s SER 2 Ca 0.00 0.15 0.01 0.00 1.31 0.00 0.00 55.95 57.42 2dmw s SER 2 Cb 0.00 -1.89 0.02 0.00 0.21 0.00 0.00 66.02 64.36 2dmw s SER 2 CO 0.00 0.04 -0.05 -0.55 0.41 0.00 0.00 173.24 173.09 2dmw s SER 3 N -3.30 1.25 0.00 2.44 0.15 -1.26 -5.10 113.70 107.89 2dmw s SER 3 Ca 0.34 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.84 2dmw s SER 3 Cb -0.11 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 2dmw s SER 3 CO 0.28 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.26 2dmw n GLY 4 N 4.30 1.31 1.70 9.45 0.00 -1.26 -5.04 105.19 115.65 2dmw n GLY 4 Ca -0.20 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.57 2dmw n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dmw n SER 5 N 0.00 0.13 -4.38 1.61 2.88 -1.26 -4.97 113.62 107.63 2dmw n SER 5 Ca 0.00 0.24 -0.45 0.00 -1.33 0.00 0.00 58.87 57.32 2dmw n SER 5 Cb 0.00 0.11 -0.01 0.00 -0.75 0.00 0.00 64.21 63.57 2dmw n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dmw s SER 6 N -5.18 7.09 0.00 -3.46 1.04 -1.26 -4.98 113.70 106.95 2dmw s SER 6 Ca 0.00 -3.12 0.00 0.00 0.48 0.00 0.00 55.95 53.31 2dmw s SER 6 Cb 0.00 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.85 2dmw s SER 6 CO 0.00 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.30 2dmw n GLY 7 N 3.57 -2.35 3.39 7.32 0.00 -1.26 -4.26 105.19 111.60 2dmw n GLY 7 Ca 0.25 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.82 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 3.55 0.00 1.61 1.00 -1.26 -3.32 119.30 120.88 2dmw s MET 8 Ca 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 55.69 53.65 2dmw s MET 8 Cb 0.00 -4.63 0.00 0.00 0.00 0.00 0.00 34.83 30.20 2dmw s MET 8 CO 0.00 -1.53 0.91 0.00 0.00 0.00 0.00 175.02 174.40 2dmw n ALA 9 N 5.35 -0.14 -3.11 3.03 0.00 -1.26 -4.60 120.51 119.78 2dmw n ALA 9 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.46 2dmw n ALA 9 Cb 0.47 0.31 -0.15 0.00 0.00 0.00 0.00 19.45 20.09 2dmw n ALA 9 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2dmw s ILE 10 N -2.66 0.08 -0.22 0.00 1.09 -1.26 -4.74 121.20 113.50 2dmw s ILE 10 Ca 0.00 0.01 0.01 0.00 -1.10 0.00 0.00 60.65 59.57 2dmw s ILE 10 Cb 0.00 -0.11 -0.14 0.00 -1.06 0.00 0.00 42.46 41.15 2dmw s ILE 10 CO 0.00 0.05 -0.20 0.18 -0.10 0.00 0.00 174.94 174.88 2dmw n LEU 11 N 3.38 2.95 -4.15 2.97 4.77 -1.14 -4.93 117.00 120.84 2dmw n LEU 11 Ca -0.17 -0.11 -0.28 0.00 -0.03 0.00 0.00 56.01 55.42 2dmw n LEU 11 Cb 0.57 -0.76 -0.16 0.00 -2.33 0.00 0.00 43.42 40.73 2dmw n LEU 11 CO 0.25 0.86 -0.52 0.12 -1.33 0.00 0.00 177.39 176.77 2dmw s PHE 12 N -2.43 2.00 -0.24 -1.77 2.19 -1.22 -2.80 117.98 113.69 2dmw s PHE 12 Ca -0.29 -0.69 -0.09 0.00 0.33 0.00 0.00 56.93 56.19 2dmw s PHE 12 Cb 0.08 -1.35 0.10 0.00 -1.31 0.00 0.00 43.02 40.54 2dmw s PHE 12 CO 0.50 -0.27 0.53 0.00 1.83 0.00 0.00 175.22 177.81 2dmw s ALA 13 N 0.24 -1.56 -0.00 11.12 0.00 -1.25 -1.65 121.76 128.65 2dmw s ALA 13 Ca -0.11 1.91 -0.06 0.00 0.00 0.00 0.00 51.96 53.71 2dmw s ALA 13 Cb -0.15 -1.50 -0.00 0.00 0.00 0.00 0.00 23.12 21.47 2dmw s ALA 13 CO 0.05 -0.78 0.11 0.14 0.00 0.00 0.00 175.76 175.27 2dmw s VAL 14 N 2.62 0.08 -0.23 0.00 -7.23 -1.13 -3.53 120.40 110.97 2dmw s VAL 14 Ca -0.04 -0.63 -0.08 0.00 -1.81 0.00 0.00 61.98 59.42 2dmw s VAL 14 Cb -0.11 -0.37 -0.04 0.00 0.56 0.00 0.00 36.38 36.42 2dmw s VAL 14 CO -0.16 -0.34 0.09 -0.69 -0.31 0.00 0.00 175.10 173.69 2dmw s VAL 15 N -1.18 4.64 -0.02 1.32 1.01 -1.01 -3.33 120.40 121.82 2dmw s VAL 15 Ca -0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 2dmw s VAL 15 Cb -0.07 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.17 2dmw s VAL 15 CO 0.01 0.36 0.05 0.00 0.00 0.00 0.00 175.10 175.52 2dmw s ALA 16 N 1.26 -0.09 -0.77 5.51 0.00 -0.68 -2.16 121.76 124.83 2dmw s ALA 16 Ca 0.05 0.23 -0.18 0.00 0.00 0.00 0.00 51.96 52.06 2dmw s ALA 16 Cb -0.14 -0.16 0.14 0.00 0.00 0.00 0.00 23.12 22.95 2dmw s ALA 16 CO 0.04 -0.06 0.88 -0.98 0.00 0.00 0.00 175.76 175.65 2dmw s ARG 17 N 0.37 3.36 0.94 0.00 1.70 0.45 -0.42 118.95 125.35 2dmw s ARG 17 Ca -0.03 -1.69 0.00 0.00 -0.47 0.00 0.00 55.73 53.55 2dmw s ARG 17 Cb -0.04 -4.52 0.00 0.00 -0.57 0.00 0.00 34.95 29.81 2dmw s ARG 17 CO -0.01 -1.59 0.00 0.41 -1.08 0.00 0.00 175.30 173.03 2dmw n GLY 18 N 5.07 2.25 0.00 3.88 0.00 -1.26 -2.71 105.19 112.43 2dmw n GLY 18 Ca 0.08 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.62 2.61 -2.24 -1.26 -4.31 114.28 105.45 2dmw n THR 19 Ca 0.00 -0.25 -0.36 0.00 -2.27 0.00 0.00 64.05 61.17 2dmw n THR 19 Cb 0.00 1.23 -0.08 0.00 -2.10 0.00 0.00 70.33 69.38 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 -0.27 5.35 -0.27 4.28 2.01 -1.10 -4.97 115.64 120.66 2dmw s THR 20 Ca 0.00 0.35 -0.13 0.00 0.31 0.00 0.00 61.69 62.22 2dmw s THR 20 Cb 0.00 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 2dmw s THR 20 CO 0.00 0.39 0.29 -0.63 -0.69 0.00 0.00 174.62 173.98 2dmw s ILE 21 N 0.63 5.24 0.00 1.82 1.01 -1.26 -0.41 121.20 128.23 2dmw s ILE 21 Ca 0.12 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.17 2dmw s ILE 21 Cb -0.12 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.72 2dmw s ILE 21 CO 0.02 0.21 0.00 0.18 0.00 0.00 0.00 174.94 175.35 2dmw n LEU 22 N 5.10 0.80 -4.07 2.97 4.77 -0.92 -4.48 117.00 121.17 2dmw n LEU 22 Ca -0.11 0.21 -0.32 0.00 -0.03 0.00 0.00 56.01 55.76 2dmw n LEU 22 Cb 0.51 -0.31 -0.16 0.00 -2.33 0.00 0.00 43.42 41.14 2dmw n LEU 22 CO 0.36 -0.31 -0.50 0.00 -1.33 0.00 0.00 177.39 175.61 2dmw s ALA 23 N -3.51 2.20 -0.01 -1.18 0.00 -1.23 -4.10 121.76 113.93 2dmw s ALA 23 Ca 0.00 -1.20 0.07 0.00 0.00 0.00 0.00 51.96 50.83 2dmw s ALA 23 Cb 0.00 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.89 2dmw s ALA 23 CO 0.00 -0.51 -0.23 -1.59 0.00 0.00 0.00 175.76 173.43 2dmw s LYS 24 N 1.33 2.15 -0.28 0.00 -2.85 -1.26 -2.41 119.74 116.42 2dmw s LYS 24 Ca 0.03 -0.91 -0.03 0.00 -1.00 0.00 0.00 55.97 54.06 2dmw s LYS 24 Cb -0.14 -2.12 0.16 0.00 -2.06 0.00 0.00 37.83 33.68 2dmw s LYS 24 CO -0.11 0.57 0.54 -1.58 0.10 0.00 0.00 175.35 174.87 2dmw s HIS 25 N -0.69 -1.34 0.28 1.78 2.46 -1.23 -4.81 115.29 111.75 2dmw s HIS 25 Ca 0.11 1.57 0.06 0.00 0.47 0.00 0.00 55.06 57.26 2dmw s HIS 25 Cb -0.10 0.45 -0.06 0.00 -0.13 0.00 0.00 32.58 32.74 2dmw s HIS 25 CO 0.00 -0.79 -0.03 0.00 -2.47 0.00 0.00 174.74 171.45 2dmw s ALA 26 N 2.77 2.30 0.53 1.58 0.00 -1.26 -3.86 121.76 123.82 2dmw s ALA 26 Ca 0.14 -1.92 -0.19 0.00 0.00 0.00 0.00 51.96 50.00 2dmw s ALA 26 Cb -0.15 0.30 -0.06 0.00 0.00 0.00 0.00 23.12 23.21 2dmw s ALA 26 CO -0.19 -0.13 1.07 -1.58 0.00 0.00 0.00 175.76 174.93 2dmw s TRP 27 N -3.10 2.87 -0.64 0.00 0.52 -1.12 -4.95 118.94 112.52 2dmw s TRP 27 Ca 0.30 1.56 -0.27 0.00 0.02 0.00 0.00 56.10 57.71 2dmw s TRP 27 Cb 0.05 -3.13 0.00 0.00 -1.15 0.00 0.00 33.47 29.24 2dmw s TRP 27 CO 0.12 -1.15 1.56 0.00 0.02 0.00 0.00 176.95 177.50 2dmw n GLY 29 N 5.49 -1.85 3.09 0.00 0.00 -1.26 -4.62 105.19 106.04 2dmw n GLY 29 Ca 0.13 0.46 -0.08 0.00 0.00 0.00 0.00 46.02 46.53 2dmw n GLY 29 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dmw s GLY 30 N -1.21 0.50 -0.52 -0.02 0.00 -1.26 -5.10 107.32 99.71 2dmw s GLY 30 Ca 0.00 -1.16 -0.28 0.00 0.00 0.00 0.00 44.72 43.28 2dmw s GLY 30 CO 0.00 -1.27 1.53 -1.31 0.00 0.00 0.00 173.10 172.06 2dmw s ASN 31 N -2.76 5.99 -0.20 1.64 0.01 -1.26 -4.80 114.94 113.56 2dmw s ASN 31 Ca 0.05 0.50 0.08 0.00 -0.71 0.00 0.00 52.86 52.79 2dmw s ASN 31 Cb 0.05 -2.54 -0.18 0.00 0.41 0.00 0.00 41.25 38.99 2dmw s ASN 31 CO -0.08 -1.77 -0.07 0.49 -1.51 0.00 0.00 177.10 174.15 2dmw n PHE 32 N 10.06 0.00 0.24 2.20 3.72 -1.26 -4.36 117.46 128.05 2dmw n PHE 32 Ca 0.16 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.67 2dmw n PHE 32 Cb 0.49 -0.87 0.45 0.00 -0.94 0.00 0.00 39.48 38.61 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 0.00 0.07 4.37 5.85 -1.99 -1.59 115.31 122.03 2dmw h LEU 33 Ca -0.49 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.22 2dmw h LEU 33 Cb 1.93 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.96 2dmw h LEU 33 CO -0.03 0.00 -0.03 -0.08 -0.34 0.00 0.00 178.44 177.96 2dmw h GLU 34 N 0.00 -0.09 -0.85 1.25 4.81 -1.98 -2.07 114.58 115.65 2dmw h GLU 34 Ca 0.08 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.45 2dmw h GLU 34 Cb 1.50 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 30.82 2dmw h GLU 34 CO -0.00 -0.06 0.46 -0.24 -0.73 0.00 0.00 179.01 178.44 2dmw h VAL 35 N -0.14 0.80 0.01 0.32 3.04 -1.59 -2.06 116.25 116.64 2dmw h VAL 35 Ca -0.01 -0.24 0.03 0.00 -1.01 0.00 0.00 66.70 65.46 2dmw h VAL 35 Cb 0.07 0.04 -0.04 0.00 -2.01 0.00 0.00 31.29 29.36 2dmw h VAL 35 CO 0.02 0.13 -0.19 0.74 -1.01 0.00 0.00 177.57 177.25 2dmw h THR 36 N 0.70 0.55 -0.12 3.17 2.02 -1.46 -2.01 112.91 115.76 2dmw h THR 36 Ca 0.44 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.67 2dmw h THR 36 Cb 0.55 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 67.45 2dmw h THR 36 CO -0.32 0.00 -0.22 -0.33 0.37 0.00 0.00 175.52 175.02 2dmw h GLU 37 N -0.32 -0.28 -0.90 6.66 5.08 -0.69 0.03 114.58 124.18 2dmw h GLU 37 Ca 0.05 0.02 0.20 0.00 -1.00 0.00 0.00 59.36 58.63 2dmw h GLU 37 Cb 0.38 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.58 2dmw h GLU 37 CO -0.17 -0.18 0.44 1.96 -1.00 0.00 0.00 179.01 180.06 2dmw h GLN 38 N -0.29 0.50 -0.40 2.33 1.08 -1.17 0.10 115.11 117.27 2dmw h GLN 38 Ca 0.10 -0.03 -0.14 0.00 -1.45 0.00 0.00 58.65 57.13 2dmw h GLN 38 Cb 0.43 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 2dmw h GLN 38 CO -0.29 0.33 -0.31 0.82 -0.95 0.00 0.00 178.83 178.44 2dmw h ILE 39 N 0.51 1.27 -0.30 2.54 1.08 -0.53 -3.16 117.51 118.93 2dmw h ILE 39 Ca 0.54 -1.47 0.02 0.00 -0.39 0.00 0.00 64.86 63.56 2dmw h ILE 39 Cb 0.94 1.29 -0.02 0.00 -3.07 0.00 0.00 36.82 35.95 2dmw h ILE 39 CO -0.46 0.49 0.15 -0.07 -0.69 0.00 0.00 178.15 177.57 2dmw h LEU 40 N 0.74 0.21 0.00 1.44 3.38 0.10 0.15 115.31 121.34 2dmw h LEU 40 Ca 0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2dmw h LEU 40 Cb 0.87 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2dmw h LEU 40 CO 0.08 0.16 0.00 0.00 0.09 0.00 0.00 178.44 178.77 2dmw n ALA 41 N -2.24 1.32 -0.07 1.53 0.00 -0.56 -1.68 120.51 118.81 2dmw n ALA 41 Ca -0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 53.44 53.33 2dmw n ALA 41 Cb 0.07 -1.07 -0.11 0.00 0.00 0.00 0.00 19.45 18.35 2dmw n ALA 41 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2dmw n LYS 42 N -1.37 1.44 -2.46 0.00 5.02 -0.04 -4.97 118.16 115.78 2dmw n LYS 42 Ca 0.02 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.90 2dmw n LYS 42 Cb 0.04 -1.36 -0.03 0.00 -0.02 0.00 0.00 35.03 33.66 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 -2.34 4.16 1.04 -0.18 1.01 0.34 -5.03 121.20 120.20 2dmw s ILE 43 Ca -0.11 1.55 -0.13 0.00 0.00 0.00 0.00 60.65 61.96 2dmw s ILE 43 Cb 0.05 -3.99 0.21 0.00 0.01 0.00 0.00 42.46 38.73 2dmw s ILE 43 CO 0.54 0.11 1.10 -2.16 0.00 0.00 0.00 174.94 174.53 2dmw s PRO 44 N 1.11 0.11 0.11 2.79 0.04 -1.26 -4.92 135.00 132.99 2dmw s PRO 44 Ca 0.58 0.41 0.23 0.00 0.04 0.00 0.00 61.00 62.26 2dmw s PRO 44 Cb -0.28 -1.71 0.18 0.00 0.04 0.00 0.00 34.50 32.73 2dmw s PRO 44 CO 0.29 -2.92 1.17 0.43 0.04 0.00 0.00 177.00 176.00 2dmw n SER 45 N -4.29 0.70 -4.65 6.66 7.64 -1.26 -4.93 113.62 113.49 2dmw n SER 45 Ca 0.06 0.07 -0.44 0.00 1.01 0.00 0.00 58.87 59.57 2dmw n SER 45 Cb 0.58 0.42 -0.02 0.00 -1.01 0.00 0.00 64.21 64.18 2dmw n SER 45 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2dmw n GLU 46 N -2.19 1.77 -1.88 1.43 1.02 -1.26 -4.64 120.64 114.89 2dmw n GLU 46 Ca 0.02 0.62 -0.22 0.00 -0.02 0.00 0.00 57.16 57.56 2dmw n GLU 46 Cb 0.46 -2.14 -0.06 0.00 -0.02 0.00 0.00 31.44 29.68 2dmw n GLU 46 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2dmw s ASN 47 N -0.26 4.61 -0.28 1.62 4.22 -1.26 -4.82 114.94 118.77 2dmw s ASN 47 Ca 0.60 -0.74 -0.20 0.00 -2.14 0.00 0.00 52.86 50.38 2dmw s ASN 47 Cb -0.65 -2.57 0.10 0.00 1.28 0.00 0.00 41.25 39.41 2dmw s ASN 47 CO 0.58 -3.33 0.83 0.54 -2.04 0.00 0.00 177.10 173.68 2dmw s ASN 48 N 8.47 -0.70 0.36 3.54 4.22 -1.26 -5.00 114.94 124.56 2dmw s ASN 48 Ca 0.77 1.21 0.07 0.00 -2.14 0.00 0.00 52.86 52.77 2dmw s ASN 48 Cb -0.07 1.26 -0.02 0.00 1.28 0.00 0.00 41.25 43.71 2dmw s ASN 48 CO 0.06 -0.20 0.37 -1.59 -2.04 0.00 0.00 177.10 173.71 2dmw s LYS 49 N 0.99 2.78 -0.22 3.55 0.00 -1.26 -4.32 119.74 121.26 2dmw s LYS 49 Ca -0.05 -1.27 -0.27 0.00 0.00 0.00 0.00 55.97 54.38 2dmw s LYS 49 Cb -0.05 -2.56 0.10 0.00 0.00 0.00 0.00 37.83 35.32 2dmw s LYS 49 CO -0.11 0.00 0.86 -1.17 0.00 0.00 0.00 175.35 174.93 2dmw s LEU 50 N -4.09 -0.58 -0.52 2.77 0.20 -1.24 -5.06 118.68 110.16 2dmw s LEU 50 Ca 0.44 0.99 -0.27 0.00 0.69 0.00 0.00 54.13 55.98 2dmw s LEU 50 Cb -0.06 2.19 0.03 0.00 -0.43 0.00 0.00 46.19 47.92 2dmw s LEU 50 CO 0.28 -0.28 1.07 -0.89 -0.29 0.00 0.00 176.35 176.24 2dmw s THR 51 N -0.12 4.24 -0.28 3.68 2.01 -1.26 -4.18 115.64 119.73 2dmw s THR 51 Ca -0.01 0.83 -0.10 0.00 0.31 0.00 0.00 61.69 62.73 2dmw s THR 51 Cb -0.04 -4.59 -0.03 0.00 0.01 0.00 0.00 72.50 67.85 2dmw s THR 51 CO -0.00 -1.09 0.15 -0.47 -0.69 0.00 0.00 174.62 172.51 2dmw s TYR 52 N 4.35 3.17 -0.39 4.92 6.14 -0.97 -5.01 117.35 129.56 2dmw s TYR 52 Ca 0.40 -0.24 -0.15 0.00 0.64 0.00 0.00 57.07 57.72 2dmw s TYR 52 Cb -0.09 -2.34 0.01 0.00 0.42 0.00 0.00 41.96 39.96 2dmw s TYR 52 CO 0.26 -0.31 0.31 -1.54 0.64 0.00 0.00 175.55 174.91 2dmw s SER 53 N 1.68 6.12 -0.12 4.32 1.04 -1.26 -0.42 113.70 125.05 2dmw s SER 53 Ca 0.06 -0.71 0.03 0.00 0.48 0.00 0.00 55.95 55.80 2dmw s SER 53 Cb -0.16 -2.17 -0.00 0.00 0.10 0.00 0.00 66.02 63.79 2dmw s SER 53 CO 0.07 -0.41 -0.21 -2.28 0.98 0.00 0.00 173.24 171.39 2dmw s HIS 54 N 1.78 2.64 0.00 5.02 2.46 -0.93 -5.01 115.29 121.25 2dmw s HIS 54 Ca 0.07 -1.03 0.00 0.00 0.47 0.00 0.00 55.06 54.57 2dmw s HIS 54 Cb -0.18 -1.77 0.00 0.00 -0.13 0.00 0.00 32.58 30.50 2dmw s HIS 54 CO 0.11 -0.42 0.00 0.41 -2.47 0.00 0.00 174.74 172.37 2dmw n GLY 55 N 3.67 2.90 2.30 1.59 0.00 -1.26 -1.11 105.19 113.28 2dmw n GLY 55 Ca -0.19 0.03 -0.32 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 2.70 6.88 -3.70 1.61 4.13 -1.26 -4.95 115.26 120.66 2dmw n ASN 56 Ca 0.00 -3.78 -0.14 0.00 1.68 0.00 0.00 54.58 52.34 2dmw n ASN 56 Cb 0.00 -0.80 -0.08 0.00 -1.54 0.00 0.00 39.78 37.35 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 -3.78 -0.35 -0.05 3.10 1.51 -0.27 -4.43 117.35 113.08 2dmw s TYR 57 Ca 0.60 0.65 -0.14 0.00 -1.01 0.00 0.00 57.07 57.17 2dmw s TYR 57 Cb 0.47 0.17 -0.05 0.00 -0.11 0.00 0.00 41.96 42.45 2dmw s TYR 57 CO -0.04 -0.40 0.36 -0.51 -1.11 0.00 0.00 175.55 173.86 2dmw s LEU 58 N -0.94 4.41 -0.44 -1.29 1.43 -0.85 -2.20 118.68 118.80 2dmw s LEU 58 Ca -0.10 0.81 -0.01 0.00 -1.03 0.00 0.00 54.13 53.80 2dmw s LEU 58 Cb -0.04 -2.50 0.12 0.00 0.03 0.00 0.00 46.19 43.81 2dmw s LEU 58 CO 0.05 0.27 0.22 -0.36 0.23 0.00 0.00 176.35 176.75 2dmw s PHE 59 N -0.65 3.57 -0.37 0.29 0.40 0.44 -2.90 117.98 118.76 2dmw s PHE 59 Ca 0.22 -2.64 -0.15 0.00 -0.60 0.00 0.00 56.93 53.75 2dmw s PHE 59 Cb -0.15 -3.13 0.00 0.00 0.51 0.00 0.00 43.02 40.24 2dmw s PHE 59 CO 0.10 -0.93 0.36 -1.01 0.70 0.00 0.00 175.22 174.44 2dmw s HIS 60 N 0.79 3.21 -0.06 0.36 3.76 -1.22 -2.28 115.29 119.84 2dmw s HIS 60 Ca 0.11 -0.22 0.06 0.00 -0.15 0.00 0.00 55.06 54.86 2dmw s HIS 60 Cb -0.22 -2.69 -0.01 0.00 1.11 0.00 0.00 32.58 30.77 2dmw s HIS 60 CO -0.05 -0.52 -0.24 1.52 -0.85 0.00 0.00 174.74 174.61 2dmw s TYR 61 N 1.96 2.47 -0.12 1.40 -0.85 -1.26 -3.08 117.35 117.87 2dmw s TYR 61 Ca 0.10 -0.72 0.02 0.00 -0.52 0.00 0.00 57.07 55.95 2dmw s TYR 61 Cb -0.17 -1.62 0.01 0.00 0.38 0.00 0.00 41.96 40.56 2dmw s TYR 61 CO 0.12 -0.21 -0.18 0.42 -1.52 0.00 0.00 175.55 174.17 2dmw s ILE 62 N -0.13 1.75 0.02 -3.49 1.01 -1.15 -3.72 121.20 115.49 2dmw s ILE 62 Ca -0.04 -0.80 -0.13 0.00 0.00 0.00 0.00 60.65 59.68 2dmw s ILE 62 Cb -0.14 -1.57 -0.06 0.00 0.01 0.00 0.00 42.46 40.70 2dmw s ILE 62 CO 0.04 0.49 0.40 0.00 0.00 0.00 0.00 174.94 175.87 2dmw s GLN 64 N -1.33 0.21 -1.42 0.00 -0.44 -0.57 -4.52 119.66 111.60 2dmw s GLN 64 Ca 0.26 0.43 -0.07 0.00 -2.50 0.00 0.00 55.36 53.49 2dmw s GLN 64 Cb -0.16 0.15 0.04 0.00 -1.64 0.00 0.00 33.01 31.40 2dmw s GLN 64 CO 0.14 -0.06 0.55 -3.47 0.50 0.00 0.00 175.29 172.96 2dmw n ASP 65 N 4.01 -4.92 -1.18 6.67 2.03 -1.26 -0.08 116.55 121.81 2dmw n ASP 65 Ca -0.14 -0.33 -0.12 0.00 0.52 0.00 0.00 54.79 54.72 2dmw n ASP 65 Cb 0.56 -4.02 -0.03 0.00 -0.72 0.00 0.00 41.12 36.91 2dmw n ASP 65 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2dmw n ARG 66 N -3.89 -0.92 -4.20 -0.67 5.12 -1.26 -5.00 116.66 105.84 2dmw n ARG 66 Ca -0.06 0.75 -0.29 0.00 -1.93 0.00 0.00 57.85 56.31 2dmw n ARG 66 Cb 0.58 -4.86 -0.17 0.00 -1.16 0.00 0.00 32.46 26.86 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 -2.54 1.50 -0.08 0.55 -1.09 0.88 -4.02 121.20 116.39 2dmw s ILE 67 Ca 0.00 -0.61 -0.04 0.00 -2.23 0.00 0.00 60.65 57.77 2dmw s ILE 67 Cb 0.00 -1.39 -0.04 0.00 -1.58 0.00 0.00 42.46 39.45 2dmw s ILE 67 CO 0.00 0.44 0.10 -0.69 -1.23 0.00 0.00 174.94 173.57 2dmw s VAL 68 N 1.28 5.09 -0.36 2.92 1.01 0.44 -1.52 120.40 129.27 2dmw s VAL 68 Ca -0.00 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2dmw s VAL 68 Cb -0.14 -3.23 0.11 0.00 0.00 0.00 0.00 36.38 33.12 2dmw s VAL 68 CO -0.06 0.54 0.11 -0.31 0.00 0.00 0.00 175.10 175.38 2dmw s TYR 69 N -1.05 2.79 0.09 5.22 1.51 -0.91 -1.69 117.35 123.31 2dmw s TYR 69 Ca 0.17 -2.52 -0.04 0.00 -1.01 0.00 0.00 57.07 53.67 2dmw s TYR 69 Cb -0.12 -2.38 -0.05 0.00 -0.11 0.00 0.00 41.96 39.30 2dmw s TYR 69 CO 0.07 -0.89 0.31 -1.17 -1.11 0.00 0.00 175.55 172.77 2dmw s LEU 70 N 0.97 4.31 -0.20 -1.29 0.20 -1.21 -2.92 118.68 118.54 2dmw s LEU 70 Ca 0.12 0.52 -0.14 0.00 0.69 0.00 0.00 54.13 55.32 2dmw s LEU 70 Cb -0.20 -3.07 0.06 0.00 -0.43 0.00 0.00 46.19 42.55 2dmw s LEU 70 CO -0.12 0.13 0.51 0.00 -0.29 0.00 0.00 176.35 176.57 2dmw s ILE 72 N 1.01 5.25 0.21 0.00 1.01 -0.66 -3.37 121.20 124.64 2dmw s ILE 72 Ca -0.06 0.64 0.00 0.00 0.00 0.00 0.00 60.65 61.23 2dmw s ILE 72 Cb -0.06 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 2dmw s ILE 72 CO -0.09 0.32 0.10 0.42 0.00 0.00 0.00 174.94 175.69 2dmw s THR 73 N 0.91 0.26 0.29 2.92 -4.23 -1.14 -2.88 115.64 111.77 2dmw s THR 73 Ca 0.18 -1.99 -0.28 0.00 -1.18 0.00 0.00 61.69 58.42 2dmw s THR 73 Cb -0.14 -2.48 -0.09 0.00 1.34 0.00 0.00 72.50 71.13 2dmw s THR 73 CO 0.06 -0.08 0.95 1.51 -0.54 0.00 0.00 174.62 176.53 2dmw s ASP 74 N -3.21 7.44 0.16 3.99 -4.77 -1.26 -2.01 116.67 117.02 2dmw s ASP 74 Ca 0.36 1.92 -0.26 0.00 -3.30 0.00 0.00 52.55 51.27 2dmw s ASP 74 Cb 0.07 -2.59 0.03 0.00 -1.09 0.00 0.00 42.92 39.33 2dmw s ASP 74 CO 0.11 0.01 1.58 0.44 0.70 0.00 0.00 175.17 178.00 2dmw h ASP 75 N 3.59 -1.35 -0.89 2.11 3.32 -1.93 -1.51 116.42 119.76 2dmw h ASP 75 Ca -0.46 0.22 0.12 0.00 0.02 0.00 0.00 57.03 56.93 2dmw h ASP 75 Cb 1.20 0.61 -0.14 0.00 0.22 0.00 0.00 39.33 41.22 2dmw h ASP 75 CO 0.66 -0.35 -0.38 -0.67 -1.72 0.00 0.00 179.24 176.78 2dmw n ASP 76 N -5.42 -0.65 -4.29 6.45 -0.08 -1.26 -4.53 116.55 106.77 2dmw n ASP 76 Ca 0.00 1.55 -0.41 0.00 -1.51 0.00 0.00 54.79 54.43 2dmw n ASP 76 Cb 0.35 -0.32 0.00 0.00 2.34 0.00 0.00 41.12 43.49 2dmw n ASP 76 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 2dmw n PHE 77 N -5.26 -2.28 -3.11 -0.67 7.35 -0.57 -4.90 117.46 108.01 2dmw n PHE 77 Ca 0.08 0.58 -0.37 0.00 -0.76 0.00 0.00 57.45 56.98 2dmw n PHE 77 Cb 0.33 -1.76 -0.06 0.00 0.35 0.00 0.00 39.48 38.34 2dmw n PHE 77 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 2dmw s GLU 78 N -1.02 4.27 0.16 -4.13 2.12 -1.26 -4.97 118.70 113.87 2dmw s GLU 78 Ca 0.59 0.87 -0.16 0.00 0.36 0.00 0.00 54.97 56.63 2dmw s GLU 78 Cb -0.60 -2.94 0.03 0.00 0.26 0.00 0.00 34.13 30.88 2dmw s GLU 78 CO 0.63 0.43 1.82 0.00 -0.54 0.00 0.00 175.26 177.61 2dmw h ARG 79 N 3.59 0.57 -0.62 4.30 -0.00 -1.91 -2.64 114.38 117.66 2dmw h ARG 79 Ca -0.48 -0.03 0.13 0.00 -0.50 0.00 0.00 59.98 59.10 2dmw h ARG 79 Cb 1.20 -0.13 -0.10 0.00 0.00 0.00 0.00 29.97 30.94 2dmw h ARG 79 CO 0.65 0.38 0.03 1.03 0.00 0.00 0.00 179.97 182.06 2dmw h SER 80 N 0.59 -0.21 0.28 7.04 0.87 -1.99 -0.36 113.55 119.76 2dmw h SER 80 Ca 0.16 0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.86 2dmw h SER 80 Cb -0.06 0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2dmw h SER 80 CO -0.04 -0.09 -0.17 0.03 -0.53 0.00 0.00 176.83 176.03 2dmw h ARG 81 N 0.15 -0.42 -0.45 2.24 2.47 -1.89 -0.55 114.38 115.93 2dmw h ARG 81 Ca 0.33 0.03 0.09 0.00 -1.26 0.00 0.00 59.98 59.17 2dmw h ARG 81 Cb 0.53 0.09 -0.08 0.00 -1.65 0.00 0.00 29.97 28.87 2dmw h ARG 81 CO -0.51 -0.28 -0.09 0.00 0.56 0.00 0.00 179.97 179.66 2dmw h ALA 82 N 0.28 0.32 -0.82 0.04 0.00 -0.99 -0.58 119.26 117.51 2dmw h ALA 82 Ca -0.03 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2dmw h ALA 82 Cb 0.36 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2dmw h ALA 82 CO 0.03 -0.44 0.48 0.74 0.00 0.00 0.00 179.25 180.06 2dmw h PHE 83 N 0.02 1.08 0.54 0.00 0.04 -0.90 -2.23 116.94 115.50 2dmw h PHE 83 Ca 0.22 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.96 2dmw h PHE 83 Cb 0.33 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 2dmw h PHE 83 CO -0.36 0.73 -0.48 -0.97 -0.60 0.00 0.00 178.31 176.62 2dmw h ASN 84 N 1.13 -1.29 -0.33 2.17 -0.73 0.48 -0.03 115.58 116.98 2dmw h ASN 84 Ca 0.29 0.10 0.06 0.00 1.87 0.00 0.00 56.30 58.62 2dmw h ASN 84 Cb -0.03 0.42 -0.06 0.00 0.27 0.00 0.00 38.32 38.92 2dmw h ASN 84 CO -0.05 -0.66 -0.05 0.15 -0.37 0.00 0.00 177.43 176.45 2dmw h PHE 85 N -1.01 -0.11 -0.36 0.67 3.57 -1.27 -1.07 116.94 117.35 2dmw h PHE 85 Ca -0.07 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.53 2dmw h PHE 85 Cb 0.86 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.63 2dmw h PHE 85 CO -0.21 -0.11 -0.09 -0.07 -2.23 0.00 0.00 178.31 175.59 2dmw h LEU 86 N 0.04 -0.35 -0.74 0.59 3.38 -1.20 -1.38 115.31 115.65 2dmw h LEU 86 Ca 0.16 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.28 2dmw h LEU 86 Cb 0.23 0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 2dmw h LEU 86 CO -0.31 -0.12 0.46 -1.13 0.09 0.00 0.00 178.44 177.43 2dmw h ASN 87 N -0.00 0.75 0.14 -0.43 -0.73 -0.39 0.47 115.58 115.38 2dmw h ASN 87 Ca 0.18 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.35 2dmw h ASN 87 Cb 0.27 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.69 2dmw h ASN 87 CO -0.38 0.51 -0.21 -0.33 -0.37 0.00 0.00 177.43 176.65 2dmw h GLU 88 N 0.89 -0.36 0.00 6.67 5.08 -0.13 0.76 114.58 127.50 2dmw h GLU 88 Ca 0.30 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.65 2dmw h GLU 88 Cb 0.06 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2dmw h GLU 88 CO -0.13 -0.24 -0.19 -0.84 -1.00 0.00 0.00 179.01 176.62 2dmw h ILE 89 N -0.37 1.10 -0.59 3.13 3.07 -1.34 -2.39 117.51 120.12 2dmw h ILE 89 Ca -0.02 -0.66 -0.01 0.00 1.55 0.00 0.00 64.86 65.72 2dmw h ILE 89 Cb 0.34 1.36 -0.03 0.00 -0.27 0.00 0.00 36.82 38.22 2dmw h ILE 89 CO -0.07 0.19 0.33 0.50 -1.05 0.00 0.00 178.15 178.05 2dmw h LYS 90 N 0.00 0.82 -0.05 0.16 3.64 0.41 -1.73 116.57 119.82 2dmw h LYS 90 Ca -0.00 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 2dmw h LYS 90 Cb 0.34 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2dmw h LYS 90 CO 0.02 0.62 -0.06 0.87 -2.27 0.00 0.00 179.45 178.63 2dmw h LYS 91 N 0.80 0.13 -0.98 1.90 1.79 -0.48 -1.56 116.57 118.17 2dmw h LYS 91 Ca 0.21 -0.07 0.18 0.00 -2.18 0.00 0.00 60.65 58.79 2dmw h LYS 91 Cb 0.03 0.01 -0.09 0.00 -1.58 0.00 0.00 32.23 30.59 2dmw h LYS 91 CO -0.04 0.61 0.61 0.00 -1.08 0.00 0.00 179.45 179.56 2dmw h ARG 92 N -0.35 0.69 0.24 3.15 3.08 -1.35 0.46 114.38 120.31 2dmw h ARG 92 Ca 0.01 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2dmw h ARG 92 Cb 0.59 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2dmw h ARG 92 CO 0.01 0.46 -0.11 0.35 -1.07 0.00 0.00 179.97 179.61 2dmw h PHE 93 N 0.71 -0.30 -0.30 3.04 3.57 -1.28 0.34 116.94 122.73 2dmw h PHE 93 Ca 0.54 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 62.12 2dmw h PHE 93 Cb 0.90 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 2dmw h PHE 93 CO -0.00 -0.19 0.40 -0.56 -2.23 0.00 0.00 178.31 175.73 2dmw h GLN 94 N -0.90 0.00 0.00 1.11 3.07 -1.04 1.68 115.11 119.03 2dmw h GLN 94 Ca -0.03 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 58.46 2dmw h GLN 94 Cb 0.25 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.76 2dmw h GLN 94 CO 0.05 0.00 -1.85 2.41 0.09 0.00 0.00 178.83 179.54 2dmw n THR 95 N -3.55 1.28 -0.06 1.86 -1.04 0.16 -3.31 114.28 109.60 2dmw n THR 95 Ca 0.05 -0.76 -0.06 0.00 -2.04 0.00 0.00 64.05 61.24 2dmw n THR 95 Cb 0.54 -0.68 -0.02 0.00 -1.82 0.00 0.00 70.33 68.35 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 -2.84 1.09 -1.50 12.58 -1.04 0.12 -4.66 114.28 118.03 2dmw n THR 96 Ca -0.18 0.25 -0.19 0.00 -2.04 0.00 0.00 64.05 61.88 2dmw n THR 96 Cb 0.98 -2.13 0.13 0.00 -1.82 0.00 0.00 70.33 67.48 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 -3.96 2.29 0.04 -1.42 4.01 0.54 -4.73 117.16 113.92 2dmw n TYR 97 Ca -0.09 -2.13 -0.02 0.00 -0.16 0.00 0.00 57.90 55.50 2dmw n TYR 97 Cb 0.34 -0.78 -0.01 0.00 -0.31 0.00 0.00 39.34 38.58 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 1.48 -0.15 0.18 2.72 0.00 -0.41 -2.29 103.07 104.61 2dmw h GLY 98 Ca 0.42 0.06 0.13 0.00 0.00 0.00 0.00 47.33 47.93 2dmw h GLY 98 CO 0.88 -0.05 0.23 1.76 0.00 0.00 0.00 176.54 179.36 2dmw h SER 99 N -0.50 0.17 -0.16 0.19 0.02 -1.85 0.85 113.55 112.28 2dmw h SER 99 Ca -0.01 0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 2dmw h SER 99 Cb 0.11 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 2dmw h SER 99 CO 0.02 0.07 -0.02 0.03 -1.14 0.00 0.00 176.83 175.80 2dmw h ARG 100 N 0.37 0.42 0.00 3.45 -0.00 -1.88 -1.44 114.38 115.30 2dmw h ARG 100 Ca 0.37 -0.08 0.00 0.00 -0.50 0.00 0.00 59.98 59.77 2dmw h ARG 100 Cb 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 29.97 30.45 2dmw h ARG 100 CO -0.39 0.46 0.00 0.00 0.00 0.00 0.00 179.97 180.04 2dmw n ALA 101 N -2.48 1.22 0.01 0.04 0.00 0.28 0.10 120.51 119.68 2dmw n ALA 101 Ca 0.01 0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.43 2dmw n ALA 101 Cb 0.23 -1.19 -0.13 0.00 0.00 0.00 0.00 19.45 18.35 2dmw n ALA 101 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2dmw h GLN 102 N 0.00 0.02 0.00 0.00 1.08 -1.13 -3.43 115.11 111.65 2dmw h GLN 102 Ca 0.00 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2dmw h GLN 102 Cb 0.09 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 2dmw h GLN 102 CO 0.00 0.71 -0.09 0.25 -0.95 0.00 0.00 178.83 178.75 2dmw n THR 103 N -3.18 1.05 -0.92 -0.54 -2.24 -0.47 -5.07 114.28 102.91 2dmw n THR 103 Ca -0.12 0.33 -0.30 0.00 -2.27 0.00 0.00 64.05 61.68 2dmw n THR 103 Cb 1.02 -1.57 0.02 0.00 -2.10 0.00 0.00 70.33 67.70 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 -3.42 -3.49 -1.16 6.98 0.00 0.29 -4.91 120.51 114.80 2dmw n ALA 104 Ca -0.01 -0.21 -0.29 0.00 0.00 0.00 0.00 53.44 52.93 2dmw n ALA 104 Cb 0.05 -1.04 0.18 0.00 0.00 0.00 0.00 19.45 18.64 2dmw n ALA 104 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2dmw s PRO 105 N -1.07 0.22 0.04 0.00 0.04 -1.26 -4.76 135.00 128.20 2dmw s PRO 105 Ca 0.41 0.44 -0.21 0.00 0.04 0.00 0.00 61.00 61.68 2dmw s PRO 105 Cb -0.31 -1.72 -0.15 0.00 0.04 0.00 0.00 34.50 32.37 2dmw s PRO 105 CO 0.57 -2.86 1.34 -1.00 0.04 0.00 0.00 177.00 175.10 2dmw h PRO 106 N -1.98 0.34 -2.21 0.56 0.13 -1.88 -3.29 132.00 123.67 2dmw h PRO 106 Ca -0.55 -0.18 -0.73 0.00 -0.87 0.00 0.00 66.00 63.68 2dmw h PRO 106 Cb 1.33 0.01 -0.22 0.00 0.13 0.00 0.00 31.00 32.25 2dmw h PRO 106 CO 0.56 0.73 1.21 0.66 -0.23 0.00 0.00 178.00 180.93 2dmw n TYR 107 N -4.57 2.57 -0.08 1.56 4.02 -1.26 -4.04 117.16 115.36 2dmw n TYR 107 Ca -0.06 -2.43 -0.13 0.00 -0.01 0.00 0.00 57.90 55.27 2dmw n TYR 107 Cb 0.36 -1.36 -0.07 0.00 -0.02 0.00 0.00 39.34 38.24 2dmw n TYR 107 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2dmw n ALA 108 N 0.35 1.74 -1.93 -0.72 0.00 -1.24 -4.71 120.51 114.00 2dmw n ALA 108 Ca 0.53 -0.67 -0.08 0.00 0.00 0.00 0.00 53.44 53.22 2dmw n ALA 108 Cb 0.30 0.18 0.10 0.00 0.00 0.00 0.00 19.45 20.04 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 -3.22 2.38 0.16 0.00 2.81 -1.26 -4.75 117.12 113.24 2dmw n MET 109 Ca -0.30 -3.61 0.01 0.00 -1.81 0.00 0.00 57.70 52.00 2dmw n MET 109 Cb 0.78 -1.80 0.27 0.00 -0.71 0.00 0.00 33.22 31.76 2dmw n MET 109 CO 0.00 0.00 0.00 -2.95 1.51 0.00 0.00 175.97 174.53 2dmw h ASN 110 N 1.63 0.00 0.15 7.83 7.08 -1.80 -2.76 115.58 127.70 2dmw h ASN 110 Ca 0.14 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.35 2dmw h ASN 110 Cb 1.32 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.56 2dmw h ASN 110 CO 0.35 0.49 -0.07 0.28 -2.08 0.00 0.00 177.43 176.40 2dmw h SER 111 N 0.00 -0.17 -0.61 6.14 0.02 -1.94 -1.69 113.55 115.29 2dmw h SER 111 Ca -0.00 0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.05 2dmw h SER 111 Cb 0.90 0.04 -0.11 0.00 0.14 0.00 0.00 62.40 63.37 2dmw h SER 111 CO 0.06 0.12 -0.38 -0.33 -1.14 0.00 0.00 176.83 175.16 2dmw h GLU 112 N -0.67 -0.17 0.08 3.45 4.39 -1.92 -1.06 114.58 118.68 2dmw h GLU 112 Ca -0.02 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2dmw h GLU 112 Cb 0.15 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2dmw h GLU 112 CO 0.03 -0.11 -0.04 0.35 -1.16 0.00 0.00 179.01 178.08 2dmw h PHE 113 N -0.18 -0.11 -0.99 4.33 3.57 -1.64 -2.40 116.94 119.53 2dmw h PHE 113 Ca 0.22 -0.00 0.27 0.00 3.53 0.00 0.00 57.97 61.98 2dmw h PHE 113 Cb 0.56 0.04 -0.18 0.00 2.79 0.00 0.00 35.95 39.15 2dmw h PHE 113 CO -0.68 -0.07 0.02 1.03 -2.23 0.00 0.00 178.31 176.38 2dmw h SER 114 N -0.11 -0.50 0.05 0.41 0.87 -0.23 0.30 113.55 114.35 2dmw h SER 114 Ca -0.01 0.28 -0.00 0.00 -1.23 0.00 0.00 61.79 60.83 2dmw h SER 114 Cb 0.09 0.49 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2dmw h SER 114 CO 0.02 -0.36 -0.03 -1.28 -0.53 0.00 0.00 176.83 174.65 2dmw h SER 115 N 0.01 -0.06 -0.21 6.23 0.87 -1.11 -2.24 113.55 117.04 2dmw h SER 115 Ca 0.59 -0.37 0.06 0.00 -1.23 0.00 0.00 61.79 60.84 2dmw h SER 115 Cb 1.21 0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 63.12 2dmw h SER 115 CO -0.93 0.35 -0.23 0.58 -0.53 0.00 0.00 176.83 176.07 2dmw h VAL 116 N -0.48 0.41 -0.46 2.23 2.07 -0.11 -1.88 116.25 118.04 2dmw h VAL 116 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 2dmw h VAL 116 Cb 0.43 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 2dmw h VAL 116 CO 0.01 0.00 0.19 -0.07 0.02 0.00 0.00 177.57 177.72 2dmw h LEU 117 N -0.25 0.24 -0.69 2.57 3.38 -0.62 -2.14 115.31 117.79 2dmw h LEU 117 Ca 0.13 0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.29 2dmw h LEU 117 Cb 0.45 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.09 2dmw h LEU 117 CO -0.36 0.17 0.11 0.00 0.09 0.00 0.00 178.44 178.45 2dmw h ALA 118 N 1.28 0.82 -0.30 1.53 0.00 -0.72 0.87 119.26 122.74 2dmw h ALA 118 Ca 0.21 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 2dmw h ALA 118 Cb 0.17 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2dmw h ALA 118 CO -0.18 -0.36 0.14 0.00 0.00 0.00 0.00 179.25 178.84 2dmw h ALA 119 N 1.60 0.38 -0.63 0.00 0.00 -0.79 -2.05 119.26 117.77 2dmw h ALA 119 Ca 0.38 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.22 2dmw h ALA 119 Cb 0.64 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2dmw h ALA 119 CO -0.52 -0.05 0.39 1.96 0.00 0.00 0.00 179.25 181.03 2dmw h GLN 120 N 0.34 0.73 0.62 0.00 1.08 -0.61 -0.37 115.11 116.90 2dmw h GLN 120 Ca 0.10 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.23 2dmw h GLN 120 Cb 0.14 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 2dmw h GLN 120 CO -0.01 0.48 -0.31 -0.07 -0.95 0.00 0.00 178.83 177.97 2dmw h LEU 121 N 0.75 -0.74 -0.88 1.46 3.38 -0.70 -1.95 115.31 116.63 2dmw h LEU 121 Ca 0.25 0.03 0.19 0.00 0.09 0.00 0.00 57.88 58.45 2dmw h LEU 121 Cb 0.03 0.19 -0.11 0.00 0.09 0.00 0.00 40.66 40.86 2dmw h LEU 121 CO -0.11 -0.52 0.42 0.50 0.09 0.00 0.00 178.44 178.83 2dmw h LYS 122 N -0.85 0.48 0.01 1.13 3.64 -1.33 0.39 116.57 120.05 2dmw h LYS 122 Ca -0.08 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2dmw h LYS 122 Cb 0.65 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2dmw h LYS 122 CO 0.13 0.32 -0.01 1.25 -2.27 0.00 0.00 179.45 178.87 2dmw h HIS 123 N 0.50 -0.04 -0.45 1.91 2.76 -0.90 -3.09 115.15 115.84 2dmw h HIS 123 Ca 0.53 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.79 2dmw h HIS 123 Cb 0.91 0.02 -0.09 0.00 1.55 0.00 0.00 27.41 29.80 2dmw h HIS 123 CO -0.11 -0.02 -0.15 0.45 -1.30 0.00 0.00 177.93 176.80 2dmw h HIS 124 N -0.03 -0.34 -4.07 5.26 3.86 -1.04 -3.42 115.15 115.38 2dmw h HIS 124 Ca -0.00 0.04 -0.47 0.00 -1.16 0.00 0.00 60.37 58.78 2dmw h HIS 124 Cb 0.03 0.22 0.14 0.00 1.06 0.00 0.00 27.41 28.86 2dmw h HIS 124 CO -0.10 -0.23 0.25 -1.12 0.86 0.00 0.00 177.93 177.59 2dmw s SER 125 N -5.19 3.33 -0.08 2.45 0.01 0.10 -4.74 113.70 109.59 2dmw s SER 125 Ca -0.14 1.26 -0.11 0.00 1.31 0.00 0.00 55.95 58.27 2dmw s SER 125 Cb 0.15 -1.93 -0.08 0.00 0.21 0.00 0.00 66.02 64.38 2dmw s SER 125 CO 0.71 -2.70 0.42 0.28 0.41 0.00 0.00 173.24 172.37 2dmw h SER 126 N -1.59 -0.18 0.00 2.44 0.02 -1.73 -3.45 113.55 109.06 2dmw h SER 126 Ca -0.51 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.29 2dmw h SER 126 Cb 1.31 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.89 2dmw h SER 126 CO 0.58 0.36 0.00 0.61 -1.14 0.00 0.00 176.83 177.23 2dmw n GLY 127 N 1.13 -0.57 3.77 -3.77 0.00 -1.26 -4.97 105.19 99.51 2dmw n GLY 127 Ca -0.04 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 2dmw n GLY 127 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmw s PRO 128 N 0.00 3.76 -0.11 1.61 0.04 -1.26 -5.05 135.00 133.99 2dmw s PRO 128 Ca 0.00 1.77 0.03 0.00 0.04 0.00 0.00 61.00 62.84 2dmw s PRO 128 Cb 0.00 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.13 2dmw s PRO 128 CO 0.00 -0.55 -0.22 0.45 0.04 0.00 0.00 177.00 176.72 2dmw s SER 129 N -1.37 3.24 -1.64 6.66 0.15 -1.26 -4.70 113.70 114.78 2dmw s SER 129 Ca 0.64 -0.54 -0.15 0.00 0.70 0.00 0.00 55.95 56.60 2dmw s SER 129 Cb -0.28 -1.45 0.13 0.00 -1.71 0.00 0.00 66.02 62.70 2dmw s SER 129 CO 0.34 0.14 0.73 -0.24 1.20 0.00 0.00 173.24 175.42 2dmw n SER 130 N 3.65 -2.88 0.00 5.45 2.88 -1.26 -5.25 113.62 116.22 2dmw n SER 130 Ca -0.19 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.35 2dmw n SER 130 Cb 0.53 -2.88 0.00 0.00 -0.75 0.00 0.00 64.21 61.11 2dmw n SER 130 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42