#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 6.18 0.52 1.61 0.01 -1.26 -5.08 113.70 115.68 2dmw s SER 2 Ca 0.00 0.20 -0.18 0.00 1.31 0.00 0.00 55.95 57.27 2dmw s SER 2 Cb 0.00 -2.11 -0.07 0.00 0.21 0.00 0.00 66.02 64.05 2dmw s SER 2 CO 0.00 0.09 1.03 -0.44 0.41 0.00 0.00 173.24 174.33 2dmw s SER 3 N 0.81 6.25 -0.76 2.44 0.01 -1.26 -5.01 113.70 116.18 2dmw s SER 3 Ca 0.09 1.83 -0.05 0.00 1.31 0.00 0.00 55.95 59.13 2dmw s SER 3 Cb -0.13 -2.54 0.19 0.00 0.21 0.00 0.00 66.02 63.75 2dmw s SER 3 CO 0.03 -0.84 0.62 -0.83 0.41 0.00 0.00 173.24 172.62 2dmw s GLY 4 N -2.39 2.73 -0.41 3.44 0.00 -1.26 -4.93 107.32 104.50 2dmw s GLY 4 Ca 0.65 -3.47 -0.24 0.00 0.00 0.00 0.00 44.72 41.65 2dmw s GLY 4 CO 0.26 1.16 0.86 -0.56 0.00 0.00 0.00 173.10 174.83 2dmw s SER 5 N 0.71 6.55 -0.00 1.64 0.01 -1.26 -5.00 113.70 116.35 2dmw s SER 5 Ca 0.21 0.28 -0.30 0.00 1.31 0.00 0.00 55.95 57.44 2dmw s SER 5 Cb -0.14 -2.43 -0.07 0.00 0.21 0.00 0.00 66.02 63.58 2dmw s SER 5 CO -0.07 -0.88 1.83 -0.94 0.41 0.00 0.00 173.24 173.59 2dmw s SER 6 N 2.02 6.54 -0.23 2.44 1.04 -1.26 -4.83 113.70 119.41 2dmw s SER 6 Ca 0.35 2.49 0.02 0.00 0.48 0.00 0.00 55.95 59.29 2dmw s SER 6 Cb -0.12 -2.53 0.05 0.00 0.10 0.00 0.00 66.02 63.52 2dmw s SER 6 CO 0.21 -1.00 -0.13 -0.83 0.98 0.00 0.00 173.24 172.47 2dmw s GLY 7 N 3.97 1.56 -0.31 7.32 0.00 -1.26 -4.67 107.32 113.92 2dmw s GLY 7 Ca 0.82 -1.59 -0.02 0.00 0.00 0.00 0.00 44.72 43.94 2dmw s GLY 7 CO 0.36 0.53 2.21 1.15 0.00 0.00 0.00 173.10 177.35 2dmw n MET 8 N 4.50 1.87 -3.96 2.90 -0.00 -1.26 -4.50 117.12 116.66 2dmw n MET 8 Ca -0.16 -1.59 -0.11 0.00 -0.00 0.00 0.00 57.70 55.84 2dmw n MET 8 Cb 0.44 -1.69 -0.02 0.00 -0.00 0.00 0.00 33.22 31.96 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 -1.60 -0.09 -0.21 3.17 0.00 -1.26 -4.50 121.76 117.27 2dmw s ALA 9 Ca 0.35 -1.04 -0.34 0.00 0.00 0.00 0.00 51.96 50.93 2dmw s ALA 9 Cb 0.26 0.96 -0.11 0.00 0.00 0.00 0.00 23.12 24.23 2dmw s ALA 9 CO -0.04 -0.89 2.02 -0.89 0.00 0.00 0.00 175.76 175.96 2dmw n ILE 10 N -0.50 0.40 -0.06 0.00 5.41 -1.26 -4.63 119.36 118.71 2dmw n ILE 10 Ca -0.03 -0.20 -0.09 0.00 1.00 0.00 0.00 62.75 63.43 2dmw n ILE 10 Cb 0.61 -1.83 -0.06 0.00 -0.71 0.00 0.00 39.64 37.65 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 8.29 2.74 -4.08 1.39 4.77 -1.22 -4.89 117.00 123.99 2dmw n LEU 11 Ca 0.30 -0.04 -0.32 0.00 -0.03 0.00 0.00 56.01 55.92 2dmw n LEU 11 Cb 0.28 -0.44 -0.16 0.00 -2.33 0.00 0.00 43.42 40.77 2dmw n LEU 11 CO 0.74 0.66 -0.51 0.12 -1.33 0.00 0.00 177.39 177.07 2dmw s PHE 12 N -2.25 2.69 -0.14 -1.77 2.19 -1.26 -2.28 117.98 115.16 2dmw s PHE 12 Ca -0.17 -1.65 -0.03 0.00 0.33 0.00 0.00 56.93 55.41 2dmw s PHE 12 Cb 0.05 -1.83 0.05 0.00 -1.31 0.00 0.00 43.02 39.97 2dmw s PHE 12 CO 0.28 -0.79 0.06 0.00 1.83 0.00 0.00 175.22 176.61 2dmw s ALA 13 N 1.31 0.57 0.13 11.12 0.00 -1.24 -2.16 121.76 131.48 2dmw s ALA 13 Ca 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.71 2dmw s ALA 13 Cb -0.14 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 2dmw s ALA 13 CO -0.11 -0.93 0.01 0.14 0.00 0.00 0.00 175.76 174.87 2dmw s VAL 14 N 2.05 0.37 -0.08 0.00 -7.23 -1.16 -3.30 120.40 111.04 2dmw s VAL 14 Ca 0.02 -1.92 0.02 0.00 -1.81 0.00 0.00 61.98 58.30 2dmw s VAL 14 Cb -0.15 -1.95 0.01 0.00 0.56 0.00 0.00 36.38 34.85 2dmw s VAL 14 CO -0.07 -0.59 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.29 2dmw s VAL 15 N -3.86 1.37 0.01 1.32 1.01 -0.67 -2.96 120.40 116.62 2dmw s VAL 15 Ca 0.20 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 2dmw s VAL 15 Cb 0.07 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 2dmw s VAL 15 CO -0.00 0.41 0.00 0.00 0.00 0.00 0.00 175.10 175.51 2dmw s ALA 16 N 0.72 0.01 -0.41 5.51 0.00 -0.86 -2.20 121.76 124.53 2dmw s ALA 16 Ca -0.13 -0.23 0.04 0.00 0.00 0.00 0.00 51.96 51.64 2dmw s ALA 16 Cb -0.16 0.05 0.11 0.00 0.00 0.00 0.00 23.12 23.13 2dmw s ALA 16 CO 0.03 -0.08 0.14 -0.98 0.00 0.00 0.00 175.76 174.87 2dmw s ARG 17 N -0.67 1.68 -0.29 0.00 1.70 0.16 -1.05 118.95 120.47 2dmw s ARG 17 Ca -0.07 -2.18 -0.03 0.00 -0.47 0.00 0.00 55.73 52.97 2dmw s ARG 17 Cb -0.05 -3.24 0.00 0.00 -0.57 0.00 0.00 34.95 31.10 2dmw s ARG 17 CO -0.00 -1.01 0.32 0.41 -1.08 0.00 0.00 175.30 173.94 2dmw n GLY 18 N 3.79 -0.86 2.35 3.88 0.00 -1.26 -3.65 105.19 109.43 2dmw n GLY 18 Ca 0.04 0.32 -0.10 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.95 -0.40 -3.73 2.61 -2.24 -1.26 -4.90 114.28 103.41 2dmw n THR 19 Ca 0.03 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.52 2dmw n THR 19 Cb 0.38 -1.33 -0.16 0.00 -2.10 0.00 0.00 70.33 67.12 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 -2.39 0.61 -0.63 4.28 2.01 -1.24 -5.05 115.64 113.23 2dmw s THR 20 Ca 0.00 -0.81 -0.24 0.00 0.31 0.00 0.00 61.69 60.94 2dmw s THR 20 Cb 0.00 -1.22 0.05 0.00 0.01 0.00 0.00 72.50 71.34 2dmw s THR 20 CO 0.00 -0.36 1.02 -0.63 -0.69 0.00 0.00 174.62 173.97 2dmw s ILE 21 N 1.79 4.23 0.08 1.82 1.01 -1.26 0.41 121.20 129.28 2dmw s ILE 21 Ca 0.02 0.10 -0.16 0.00 0.00 0.00 0.00 60.65 60.61 2dmw s ILE 21 Cb -0.17 -4.67 -0.11 0.00 0.01 0.00 0.00 42.46 37.52 2dmw s ILE 21 CO -0.14 -1.39 1.38 -0.07 0.00 0.00 0.00 174.94 174.72 2dmw h LEU 22 N 11.53 0.70 -7.29 2.97 3.38 -1.81 -3.29 115.31 121.51 2dmw h LEU 22 Ca -0.27 -0.51 -0.17 0.00 0.09 0.00 0.00 57.88 57.03 2dmw h LEU 22 Cb 1.07 -0.20 -0.29 0.00 0.09 0.00 0.00 40.66 41.33 2dmw h LEU 22 CO 1.16 1.07 -0.42 0.00 0.09 0.00 0.00 178.44 180.34 2dmw s ALA 23 N -4.22 -0.75 -0.02 1.53 0.00 -1.19 -2.86 121.76 114.23 2dmw s ALA 23 Ca -0.12 1.20 0.03 0.00 0.00 0.00 0.00 51.96 53.07 2dmw s ALA 23 Cb 0.08 -0.79 -0.00 0.00 0.00 0.00 0.00 23.12 22.41 2dmw s ALA 23 CO 0.82 -0.27 -0.10 -1.59 0.00 0.00 0.00 175.76 174.62 2dmw s LYS 24 N 1.44 0.99 -0.26 0.00 -2.85 -1.26 -1.68 119.74 116.12 2dmw s LYS 24 Ca -0.08 -0.35 -0.02 0.00 -1.00 0.00 0.00 55.97 54.52 2dmw s LYS 24 Cb -0.10 -0.92 0.14 0.00 -2.06 0.00 0.00 37.83 34.89 2dmw s LYS 24 CO -0.10 0.16 0.41 -1.58 0.10 0.00 0.00 175.35 174.33 2dmw s HIS 25 N 0.05 -0.95 0.27 1.78 2.46 -1.21 -4.89 115.29 112.80 2dmw s HIS 25 Ca -0.01 0.86 0.05 0.00 0.47 0.00 0.00 55.06 56.43 2dmw s HIS 25 Cb -0.07 0.06 -0.06 0.00 -0.13 0.00 0.00 32.58 32.38 2dmw s HIS 25 CO 0.00 -0.78 -0.02 0.00 -2.47 0.00 0.00 174.74 171.47 2dmw s ALA 26 N 2.58 2.17 0.59 1.58 0.00 -1.26 -3.69 121.76 123.73 2dmw s ALA 26 Ca 0.13 -1.89 -0.17 0.00 0.00 0.00 0.00 51.96 50.04 2dmw s ALA 26 Cb -0.15 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 2dmw s ALA 26 CO -0.19 -0.17 1.08 -1.58 0.00 0.00 0.00 175.76 174.90 2dmw s TRP 27 N -3.20 2.83 -0.55 0.00 0.52 -0.97 -4.96 118.94 112.62 2dmw s TRP 27 Ca 0.30 1.54 -0.28 0.00 0.02 0.00 0.00 56.10 57.68 2dmw s TRP 27 Cb 0.05 -3.11 0.02 0.00 -1.15 0.00 0.00 33.47 29.28 2dmw s TRP 27 CO 0.11 -1.32 1.34 0.00 0.02 0.00 0.00 176.95 177.10 2dmw n GLY 29 N 5.17 0.65 0.00 0.00 0.00 -1.26 -5.08 105.19 104.68 2dmw n GLY 29 Ca 0.12 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 2.66 3.14 -0.02 0.00 -1.26 -4.99 105.19 104.71 2dmw n GLY 30 Ca 0.00 -1.84 -0.36 0.00 0.00 0.00 0.00 46.02 43.83 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 5.18 -0.19 1.61 -0.87 -1.26 -4.90 114.94 114.51 2dmw s ASN 31 Ca 0.00 -1.84 0.05 0.00 -1.57 0.00 0.00 52.86 49.50 2dmw s ASN 31 Cb 0.00 -1.80 -0.15 0.00 -0.02 0.00 0.00 41.25 39.27 2dmw s ASN 31 CO 0.00 -0.47 -0.11 0.49 -2.57 0.00 0.00 177.10 174.44 2dmw n PHE 32 N 4.60 0.00 -0.34 2.20 3.72 -1.26 -4.50 117.46 121.88 2dmw n PHE 32 Ca -0.05 0.00 0.31 0.00 -0.05 0.00 0.00 57.45 57.67 2dmw n PHE 32 Cb 0.42 -0.77 0.55 0.00 -0.94 0.00 0.00 39.48 38.73 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 -2.93 0.24 0.06 4.37 7.94 -1.26 -0.32 117.00 125.10 2dmw n LEU 33 Ca -0.32 1.30 -0.02 0.00 -1.11 0.00 0.00 56.01 55.85 2dmw n LEU 33 Cb 0.92 -0.64 -0.01 0.00 0.53 0.00 0.00 43.42 44.22 2dmw n LEU 33 CO 0.24 -1.43 0.50 -0.33 -1.11 0.00 0.00 177.39 175.26 2dmw h GLU 34 N 0.00 -0.15 -0.83 1.96 4.39 -2.00 0.04 114.58 117.99 2dmw h GLU 34 Ca 0.74 0.01 0.09 0.00 0.34 0.00 0.00 59.36 60.54 2dmw h GLU 34 Cb 2.20 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 30.82 2dmw h GLU 34 CO -0.52 -0.10 0.48 -0.24 -1.16 0.00 0.00 179.01 177.47 2dmw h VAL 35 N -0.16 0.93 0.22 3.13 3.04 -1.20 -2.06 116.25 120.15 2dmw h VAL 35 Ca -0.02 -0.28 0.01 0.00 -1.01 0.00 0.00 66.70 65.40 2dmw h VAL 35 Cb 0.12 0.04 -0.03 0.00 -2.01 0.00 0.00 31.29 29.41 2dmw h VAL 35 CO 0.03 0.15 -0.33 0.74 -1.01 0.00 0.00 177.57 177.14 2dmw h THR 36 N 0.82 0.31 -0.02 3.17 2.02 -0.66 -1.98 112.91 116.57 2dmw h THR 36 Ca 0.39 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.61 2dmw h THR 36 Cb 0.33 0.31 -0.05 0.00 -1.74 0.00 0.00 68.15 67.00 2dmw h THR 36 CO -0.23 0.00 -0.26 -0.33 0.37 0.00 0.00 175.52 175.06 2dmw h GLU 37 N -0.62 -0.38 -1.00 6.66 5.08 -0.61 -0.59 114.58 123.12 2dmw h GLU 37 Ca 0.01 0.03 0.28 0.00 -1.00 0.00 0.00 59.36 58.67 2dmw h GLU 37 Cb 0.61 0.09 -0.14 0.00 0.50 0.00 0.00 28.75 29.81 2dmw h GLU 37 CO -0.13 -0.25 0.57 1.96 -1.00 0.00 0.00 179.01 180.16 2dmw h GLN 38 N -0.39 0.45 -0.27 2.33 1.08 -1.19 0.30 115.11 117.43 2dmw h GLN 38 Ca 0.07 -0.03 -0.19 0.00 -1.45 0.00 0.00 58.65 57.06 2dmw h GLN 38 Cb 0.49 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 2dmw h GLN 38 CO -0.24 0.30 -0.57 0.82 -0.95 0.00 0.00 178.83 178.19 2dmw h ILE 39 N 0.46 1.28 -0.72 2.54 1.08 -0.49 -3.19 117.51 118.47 2dmw h ILE 39 Ca 0.68 -1.76 0.09 0.00 -0.39 0.00 0.00 64.86 63.48 2dmw h ILE 39 Cb 1.41 1.67 -0.07 0.00 -3.07 0.00 0.00 36.82 36.76 2dmw h ILE 39 CO -0.54 0.57 0.37 -0.07 -0.69 0.00 0.00 178.15 177.79 2dmw h LEU 40 N 0.63 0.48 0.00 1.44 3.38 0.11 0.32 115.31 121.67 2dmw h LEU 40 Ca 0.01 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2dmw h LEU 40 Cb 1.17 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2dmw h LEU 40 CO 0.12 0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.93 2dmw n ALA 41 N -2.41 1.16 -0.08 1.53 0.00 -0.80 -1.37 120.51 118.54 2dmw n ALA 41 Ca 0.11 -0.01 -0.08 0.00 0.00 0.00 0.00 53.44 53.46 2dmw n ALA 41 Cb 0.28 -1.04 -0.12 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.44 1.41 -2.65 0.00 5.02 0.10 -4.94 118.16 115.67 2dmw n LYS 42 Ca 0.01 -0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.87 2dmw n LYS 42 Cb 0.02 -1.40 -0.02 0.00 -0.02 0.00 0.00 35.03 33.61 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 -2.38 4.69 0.43 -0.18 1.01 -0.47 -5.04 121.20 119.26 2dmw s ILE 43 Ca -0.09 1.98 -0.07 0.00 0.00 0.00 0.00 60.65 62.47 2dmw s ILE 43 Cb 0.05 -4.27 0.11 0.00 0.01 0.00 0.00 42.46 38.35 2dmw s ILE 43 CO 0.63 -0.04 0.38 -0.81 0.00 0.00 0.00 174.94 175.11 2dmw n PRO 44 N 5.35 -1.78 -0.19 2.79 -0.04 -1.26 -4.85 135.00 135.02 2dmw n PRO 44 Ca 0.10 -0.62 0.09 0.00 -0.04 0.00 0.00 63.50 63.03 2dmw n PRO 44 Cb 0.48 -0.58 0.17 0.00 -0.04 0.00 0.00 33.50 33.53 2dmw n PRO 44 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dmw n SER 45 N -3.66 2.55 -4.91 3.54 7.64 -1.26 -4.90 113.62 112.63 2dmw n SER 45 Ca 0.05 -3.16 -0.31 0.00 1.01 0.00 0.00 58.87 56.46 2dmw n SER 45 Cb 0.21 -0.46 -0.04 0.00 -1.01 0.00 0.00 64.21 62.90 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 -2.91 3.55 -0.66 1.43 -1.05 -1.26 -3.97 118.70 113.83 2dmw s GLU 46 Ca 0.34 -0.22 -0.26 0.00 -0.15 0.00 0.00 54.97 54.69 2dmw s GLU 46 Cb 0.30 -2.91 -0.12 0.00 -0.44 0.00 0.00 34.13 30.96 2dmw s GLU 46 CO 0.03 0.51 2.42 0.27 0.95 0.00 0.00 175.26 179.45 2dmw n ASN 47 N 0.12 1.87 -3.64 0.83 6.94 -1.26 -4.70 115.26 115.42 2dmw n ASN 47 Ca -0.03 -0.92 -0.05 0.00 -0.02 0.00 0.00 54.58 53.56 2dmw n ASN 47 Cb 0.52 -1.56 -0.07 0.00 -2.36 0.00 0.00 39.78 36.31 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 11.11 -0.21 0.21 0.53 2.47 -1.25 -5.06 114.94 122.74 2dmw s ASN 48 Ca 0.99 0.41 0.10 0.00 0.42 0.00 0.00 52.86 54.77 2dmw s ASN 48 Cb -0.22 0.46 -0.05 0.00 -1.45 0.00 0.00 41.25 39.99 2dmw s ASN 48 CO 0.20 -0.07 -0.18 -1.59 -3.72 0.00 0.00 177.10 171.74 2dmw s LYS 49 N 0.17 1.43 -0.24 0.43 -2.85 -1.26 -3.55 119.74 113.88 2dmw s LYS 49 Ca 0.05 -1.57 -0.26 0.00 -1.00 0.00 0.00 55.97 53.19 2dmw s LYS 49 Cb -0.05 -1.46 0.07 0.00 -2.06 0.00 0.00 37.83 34.33 2dmw s LYS 49 CO -0.12 0.28 0.72 -1.17 0.10 0.00 0.00 175.35 175.16 2dmw s LEU 50 N -3.08 -0.73 -0.43 2.77 0.20 -1.26 -5.08 118.68 111.08 2dmw s LEU 50 Ca 0.22 1.33 -0.27 0.00 0.69 0.00 0.00 54.13 56.09 2dmw s LEU 50 Cb -0.04 2.47 0.02 0.00 -0.43 0.00 0.00 46.19 48.21 2dmw s LEU 50 CO 0.09 -0.30 1.03 -0.89 -0.29 0.00 0.00 176.35 175.99 2dmw s THR 51 N 0.14 4.40 -0.27 3.68 2.01 -1.26 -4.27 115.64 120.06 2dmw s THR 51 Ca -0.02 1.16 -0.09 0.00 0.31 0.00 0.00 61.69 63.06 2dmw s THR 51 Cb -0.04 -4.48 -0.03 0.00 0.01 0.00 0.00 72.50 67.96 2dmw s THR 51 CO 0.02 -0.79 0.12 -0.47 -0.69 0.00 0.00 174.62 172.81 2dmw s TYR 52 N 3.96 3.14 -0.56 4.92 6.14 -1.02 -5.03 117.35 128.90 2dmw s TYR 52 Ca 0.43 -0.35 -0.17 0.00 0.64 0.00 0.00 57.07 57.61 2dmw s TYR 52 Cb -0.10 -2.30 0.12 0.00 0.42 0.00 0.00 41.96 40.10 2dmw s TYR 52 CO 0.25 -0.34 0.57 -1.54 0.64 0.00 0.00 175.55 175.13 2dmw s SER 53 N 1.64 6.19 -0.17 4.32 1.04 -1.26 -0.73 113.70 124.72 2dmw s SER 53 Ca 0.06 -1.63 -0.02 0.00 0.48 0.00 0.00 55.95 54.84 2dmw s SER 53 Cb -0.16 -2.24 -0.01 0.00 0.10 0.00 0.00 66.02 63.71 2dmw s SER 53 CO 0.06 -0.95 -0.09 -2.28 0.98 0.00 0.00 173.24 170.96 2dmw s HIS 54 N 2.02 2.88 0.00 5.02 2.46 -1.11 -5.00 115.29 121.56 2dmw s HIS 54 Ca 0.06 -0.81 0.00 0.00 0.47 0.00 0.00 55.06 54.79 2dmw s HIS 54 Cb -0.28 -1.96 0.00 0.00 -0.13 0.00 0.00 32.58 30.22 2dmw s HIS 54 CO 0.04 -0.37 0.00 0.41 -2.47 0.00 0.00 174.74 172.35 2dmw n GLY 55 N 4.10 0.95 1.68 1.59 0.00 -1.26 -2.11 105.19 110.14 2dmw n GLY 55 Ca -0.18 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.37 5.33 -3.79 1.61 4.13 -1.26 -4.83 115.26 113.08 2dmw n ASN 56 Ca 0.00 -2.79 -0.11 0.00 1.68 0.00 0.00 54.58 53.36 2dmw n ASN 56 Cb 0.00 -0.95 -0.08 0.00 -1.54 0.00 0.00 39.78 37.22 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 -1.26 -0.04 -0.17 3.10 1.51 -0.90 -4.55 117.35 115.04 2dmw s TYR 57 Ca 0.21 -0.12 -0.10 0.00 -1.01 0.00 0.00 57.07 56.05 2dmw s TYR 57 Cb 0.17 0.05 -0.05 0.00 -0.11 0.00 0.00 41.96 42.02 2dmw s TYR 57 CO 0.01 -0.47 0.16 -0.51 -1.11 0.00 0.00 175.55 173.63 2dmw s LEU 58 N -2.06 4.26 -0.51 -1.29 1.43 0.47 -2.74 118.68 118.24 2dmw s LEU 58 Ca -0.05 0.34 -0.05 0.00 -1.03 0.00 0.00 54.13 53.34 2dmw s LEU 58 Cb -0.01 -2.14 0.13 0.00 0.03 0.00 0.00 46.19 44.20 2dmw s LEU 58 CO -0.03 0.22 0.34 -0.36 0.23 0.00 0.00 176.35 176.75 2dmw s PHE 59 N 0.03 3.50 -0.33 0.29 0.40 0.09 -2.25 117.98 119.72 2dmw s PHE 59 Ca 0.11 -2.35 -0.13 0.00 -0.60 0.00 0.00 56.93 53.96 2dmw s PHE 59 Cb -0.12 -3.32 -0.02 0.00 0.51 0.00 0.00 43.02 40.07 2dmw s PHE 59 CO 0.01 -0.94 0.28 -1.01 0.70 0.00 0.00 175.22 174.26 2dmw s HIS 60 N 0.79 3.22 -0.06 0.36 3.76 -1.11 -2.42 115.29 119.83 2dmw s HIS 60 Ca 0.11 -0.04 0.06 0.00 -0.15 0.00 0.00 55.06 55.03 2dmw s HIS 60 Cb -0.22 -2.53 -0.01 0.00 1.11 0.00 0.00 32.58 30.92 2dmw s HIS 60 CO -0.03 -0.34 -0.24 1.52 -0.85 0.00 0.00 174.74 174.80 2dmw s TYR 61 N 1.86 2.35 -0.28 1.40 -0.85 -1.25 -1.95 117.35 118.62 2dmw s TYR 61 Ca 0.09 -0.69 0.03 0.00 -0.52 0.00 0.00 57.07 55.97 2dmw s TYR 61 Cb -0.17 -1.54 0.07 0.00 0.38 0.00 0.00 41.96 40.70 2dmw s TYR 61 CO 0.11 -0.21 -0.06 0.42 -1.52 0.00 0.00 175.55 174.29 2dmw s ILE 62 N -0.15 2.06 -0.03 -3.49 1.01 -1.05 -3.99 121.20 115.56 2dmw s ILE 62 Ca -0.03 -1.73 -0.28 0.00 0.00 0.00 0.00 60.65 58.61 2dmw s ILE 62 Cb -0.13 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 2dmw s ILE 62 CO 0.03 -0.19 0.92 0.00 0.00 0.00 0.00 174.94 175.70 2dmw s GLN 64 N 1.12 0.57 -1.59 0.00 2.00 -0.20 -3.90 119.66 117.65 2dmw s GLN 64 Ca 0.48 0.97 -0.14 0.00 -2.00 0.00 0.00 55.36 54.67 2dmw s GLN 64 Cb -0.20 0.12 0.11 0.00 0.80 0.00 0.00 33.01 33.84 2dmw s GLN 64 CO 0.24 -0.12 0.84 -3.47 -0.50 0.00 0.00 175.29 172.28 2dmw n ASP 65 N 3.99 -3.60 -2.05 6.67 -0.08 -1.26 0.32 116.55 120.54 2dmw n ASP 65 Ca -0.19 -0.90 -0.17 0.00 -1.51 0.00 0.00 54.79 52.01 2dmw n ASP 65 Cb 0.58 -3.32 -0.00 0.00 2.34 0.00 0.00 41.12 40.73 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 -4.51 -1.91 -4.19 -0.67 1.74 -1.25 -4.99 116.66 100.88 2dmw n ARG 66 Ca 0.01 0.81 -0.27 0.00 -0.77 0.00 0.00 57.85 57.63 2dmw n ARG 66 Cb 0.53 -5.26 -0.17 0.00 -1.02 0.00 0.00 32.46 26.54 2dmw n ARG 66 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2dmw s ILE 67 N -2.89 1.19 -0.26 0.55 -1.09 0.15 -4.42 121.20 114.43 2dmw s ILE 67 Ca 0.05 -0.43 -0.08 0.00 -2.23 0.00 0.00 60.65 57.96 2dmw s ILE 67 Cb -0.02 -1.14 -0.03 0.00 -1.58 0.00 0.00 42.46 39.69 2dmw s ILE 67 CO 0.06 0.39 0.09 -0.69 -1.23 0.00 0.00 174.94 173.56 2dmw s VAL 68 N 1.28 4.41 -0.56 2.92 1.01 -0.21 -1.04 120.40 128.22 2dmw s VAL 68 Ca -0.02 -0.17 -0.10 0.00 0.00 0.00 0.00 61.98 61.70 2dmw s VAL 68 Cb -0.14 -3.09 0.14 0.00 0.00 0.00 0.00 36.38 33.30 2dmw s VAL 68 CO -0.04 0.31 0.44 -0.31 0.00 0.00 0.00 175.10 175.49 2dmw s TYR 69 N 1.63 3.46 -0.01 5.22 1.51 -1.09 -2.02 117.35 126.04 2dmw s TYR 69 Ca 0.06 -1.98 -0.12 0.00 -1.01 0.00 0.00 57.07 54.03 2dmw s TYR 69 Cb -0.15 -3.53 -0.05 0.00 -0.11 0.00 0.00 41.96 38.11 2dmw s TYR 69 CO 0.04 -0.97 0.35 -1.17 -1.11 0.00 0.00 175.55 172.69 2dmw s LEU 70 N 0.98 4.43 -0.12 -1.29 0.20 -1.15 -2.51 118.68 119.21 2dmw s LEU 70 Ca 0.09 0.82 -0.05 0.00 0.69 0.00 0.00 54.13 55.68 2dmw s LEU 70 Cb -0.23 -2.55 0.05 0.00 -0.43 0.00 0.00 46.19 43.03 2dmw s LEU 70 CO -0.02 0.31 0.27 0.00 -0.29 0.00 0.00 176.35 176.62 2dmw s ILE 72 N 1.68 5.04 0.01 0.00 1.01 -0.92 -2.76 121.20 125.26 2dmw s ILE 72 Ca -0.06 1.10 -0.06 0.00 0.00 0.00 0.00 60.65 61.64 2dmw s ILE 72 Cb -0.11 -3.87 -0.00 0.00 0.01 0.00 0.00 42.46 38.49 2dmw s ILE 72 CO -0.09 0.39 0.10 0.42 0.00 0.00 0.00 174.94 175.76 2dmw s THR 73 N 0.10 0.09 0.65 2.92 -4.23 -0.96 -3.46 115.64 110.76 2dmw s THR 73 Ca 0.29 -0.74 -0.15 0.00 -1.18 0.00 0.00 61.69 59.90 2dmw s THR 73 Cb -0.17 -0.39 -0.00 0.00 1.34 0.00 0.00 72.50 73.28 2dmw s THR 73 CO 0.14 -0.41 1.11 -0.62 -0.54 0.00 0.00 174.62 174.31 2dmw s ASP 74 N -1.40 5.12 0.42 3.99 -1.08 -1.26 -0.40 116.67 122.06 2dmw s ASP 74 Ca -0.15 2.02 0.13 0.00 -0.52 0.00 0.00 52.55 54.03 2dmw s ASP 74 Cb -0.08 -2.55 0.99 0.00 -1.46 0.00 0.00 42.92 39.82 2dmw s ASP 74 CO 0.01 -1.62 1.94 -2.24 0.52 0.00 0.00 175.17 173.78 2dmw h ASP 75 N 0.10 0.43 0.01 -0.34 2.03 -1.94 0.54 116.42 117.24 2dmw h ASP 75 Ca -0.47 0.02 -0.06 0.00 -0.73 0.00 0.00 57.03 55.79 2dmw h ASP 75 Cb 1.25 -0.07 -0.01 0.00 -0.83 0.00 0.00 39.33 39.66 2dmw h ASP 75 CO 0.54 0.24 -0.15 0.44 -1.03 0.00 0.00 179.24 179.28 2dmw h ASP 76 N 0.47 0.28 -2.70 4.15 3.32 -1.94 -3.42 116.42 116.58 2dmw h ASP 76 Ca 0.33 -0.06 -0.56 0.00 0.02 0.00 0.00 57.03 56.76 2dmw h ASP 76 Cb 0.66 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 2dmw h ASP 76 CO -0.11 0.45 1.13 0.12 -1.72 0.00 0.00 179.24 179.12 2dmw s PHE 77 N -4.68 2.04 0.27 4.55 5.36 0.18 -4.94 117.98 120.76 2dmw s PHE 77 Ca -0.06 0.47 -0.30 0.00 -0.96 0.00 0.00 56.93 56.08 2dmw s PHE 77 Cb 0.15 -3.96 -0.12 0.00 -0.34 0.00 0.00 43.02 38.75 2dmw s PHE 77 CO 0.74 -3.18 1.50 -1.91 -1.46 0.00 0.00 175.22 170.92 2dmw n GLU 78 N 7.57 2.39 -0.18 10.12 4.07 -1.26 -4.81 120.64 138.54 2dmw n GLU 78 Ca 0.19 0.85 -0.04 0.00 -0.06 0.00 0.00 57.16 58.10 2dmw n GLU 78 Cb 0.45 -2.57 0.06 0.00 -0.06 0.00 0.00 31.44 29.31 2dmw n GLU 78 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2dmw h ARG 79 N 4.47 0.53 -0.85 5.31 -0.00 -1.92 -2.62 114.38 119.31 2dmw h ARG 79 Ca -0.46 -0.03 0.15 0.00 -0.50 0.00 0.00 59.98 59.14 2dmw h ARG 79 Cb 1.25 -0.12 -0.15 0.00 0.00 0.00 0.00 29.97 30.94 2dmw h ARG 79 CO 0.77 0.35 -0.29 0.66 0.00 0.00 0.00 179.97 181.46 2dmw h SER 80 N 0.55 -1.07 0.73 7.04 4.64 -1.99 0.56 113.55 124.00 2dmw h SER 80 Ca 0.24 0.27 -0.03 0.00 -0.47 0.00 0.00 61.79 61.80 2dmw h SER 80 Cb 0.14 0.61 -0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2dmw h SER 80 CO -0.16 -0.29 -0.45 0.03 -0.87 0.00 0.00 176.83 175.09 2dmw h ARG 81 N -0.03 -1.07 -0.62 4.77 -0.00 -1.85 -1.04 114.38 114.54 2dmw h ARG 81 Ca 0.36 0.07 0.11 0.00 -0.50 0.00 0.00 59.98 60.02 2dmw h ARG 81 Cb 0.61 0.24 -0.12 0.00 0.00 0.00 0.00 29.97 30.71 2dmw h ARG 81 CO -0.88 -0.71 -0.35 0.00 0.00 0.00 0.00 179.97 178.03 2dmw h ALA 82 N -0.95 -0.05 -0.52 0.04 0.00 -1.07 0.49 119.26 117.21 2dmw h ALA 82 Ca -0.10 0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.05 2dmw h ALA 82 Cb 0.89 0.81 -0.06 0.00 0.00 0.00 0.00 17.79 19.44 2dmw h ALA 82 CO 0.10 -0.69 0.20 0.74 0.00 0.00 0.00 179.25 179.60 2dmw h PHE 83 N -0.16 0.36 0.13 0.00 0.04 -0.83 -2.17 116.94 114.31 2dmw h PHE 83 Ca 0.24 0.02 0.01 0.00 2.80 0.00 0.00 57.97 61.04 2dmw h PHE 83 Cb 0.56 -0.08 -0.04 0.00 2.20 0.00 0.00 35.95 38.58 2dmw h PHE 83 CO -0.66 0.13 -0.46 -0.97 -0.60 0.00 0.00 178.31 175.74 2dmw h ASN 84 N 0.39 -1.39 -0.65 2.17 -1.24 0.44 -0.29 115.58 115.01 2dmw h ASN 84 Ca 0.25 0.14 0.14 0.00 0.71 0.00 0.00 56.30 57.54 2dmw h ASN 84 Cb 0.25 0.51 -0.11 0.00 0.73 0.00 0.00 38.32 39.70 2dmw h ASN 84 CO -0.24 -0.50 -0.03 0.15 -1.29 0.00 0.00 177.43 175.53 2dmw h PHE 85 N -0.68 -0.10 -0.62 0.67 3.57 -1.09 0.59 116.94 119.28 2dmw h PHE 85 Ca -0.01 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.62 2dmw h PHE 85 Cb 0.67 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.49 2dmw h PHE 85 CO -0.42 -0.20 0.29 -0.07 -2.23 0.00 0.00 178.31 175.68 2dmw h LEU 86 N 0.09 0.37 -1.09 0.59 3.38 -0.79 -1.13 115.31 116.73 2dmw h LEU 86 Ca 0.34 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.32 2dmw h LEU 86 Cb 0.55 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 2dmw h LEU 86 CO -0.58 0.23 0.19 -1.13 0.09 0.00 0.00 178.44 177.24 2dmw h ASN 87 N 0.52 0.77 0.30 -0.43 -0.73 0.82 0.21 115.58 117.03 2dmw h ASN 87 Ca 0.30 -0.11 -0.01 0.00 1.87 0.00 0.00 56.30 58.34 2dmw h ASN 87 Cb 0.29 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 38.69 2dmw h ASN 87 CO -0.24 0.72 -0.14 -0.33 -0.37 0.00 0.00 177.43 177.06 2dmw h GLU 88 N 0.82 -0.38 -0.35 6.67 5.08 0.09 -1.90 114.58 124.61 2dmw h GLU 88 Ca 0.19 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2dmw h GLU 88 Cb 0.22 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2dmw h GLU 88 CO -0.01 -0.25 0.22 -0.84 -1.00 0.00 0.00 179.01 177.12 2dmw h ILE 89 N -0.42 1.09 0.57 3.13 3.07 -1.40 -2.33 117.51 121.22 2dmw h ILE 89 Ca -0.04 -0.19 -0.02 0.00 1.55 0.00 0.00 64.86 66.16 2dmw h ILE 89 Cb 0.30 0.60 -0.02 0.00 -0.27 0.00 0.00 36.82 37.43 2dmw h ILE 89 CO 0.07 0.09 -0.51 0.50 -1.05 0.00 0.00 178.15 177.25 2dmw h LYS 90 N 0.47 -1.02 -0.83 0.16 3.64 -0.52 0.16 116.57 118.63 2dmw h LYS 90 Ca 0.13 0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.62 2dmw h LYS 90 Cb -0.04 0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 31.96 2dmw h LYS 90 CO -0.03 -0.68 0.52 0.87 -2.27 0.00 0.00 179.45 177.87 2dmw h LYS 91 N -1.06 0.96 -0.65 1.90 1.57 -1.17 -1.94 116.57 116.18 2dmw h LYS 91 Ca -0.07 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.71 2dmw h LYS 91 Cb 0.90 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.94 2dmw h LYS 91 CO -0.03 0.64 0.36 0.00 -0.57 0.00 0.00 179.45 179.85 2dmw h ARG 92 N 0.99 0.64 0.64 3.15 3.08 -1.10 0.15 114.38 121.93 2dmw h ARG 92 Ca 0.35 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.33 2dmw h ARG 92 Cb 0.08 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 29.99 2dmw h ARG 92 CO -0.14 0.43 -0.31 0.35 -1.07 0.00 0.00 179.97 179.23 2dmw h PHE 93 N 0.66 -0.80 -0.24 3.04 3.57 -0.31 1.09 116.94 123.95 2dmw h PHE 93 Ca 0.29 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.85 2dmw h PHE 93 Cb 0.19 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 2dmw h PHE 93 CO -0.08 -0.50 0.32 -0.56 -2.23 0.00 0.00 178.31 175.26 2dmw h GLN 94 N -1.00 0.00 0.00 1.11 3.07 -1.29 1.01 115.11 118.00 2dmw h GLN 94 Ca -0.09 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.49 2dmw h GLN 94 Cb 0.66 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.19 2dmw h GLN 94 CO 0.14 0.00 -1.54 2.41 0.09 0.00 0.00 178.83 179.94 2dmw n THR 95 N -3.58 1.07 -0.03 1.86 -1.04 0.51 -3.16 114.28 109.91 2dmw n THR 95 Ca 0.03 -0.68 -0.03 0.00 -2.04 0.00 0.00 64.05 61.33 2dmw n THR 95 Cb 0.45 -0.63 -0.01 0.00 -1.82 0.00 0.00 70.33 68.33 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 -2.81 0.60 -1.56 12.58 -1.04 0.37 -4.71 114.28 117.71 2dmw n THR 96 Ca -0.11 0.36 -0.07 0.00 -2.04 0.00 0.00 64.05 62.20 2dmw n THR 96 Cb 0.83 -1.85 0.17 0.00 -1.82 0.00 0.00 70.33 67.66 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 -3.27 1.20 0.16 -1.42 4.01 0.31 -4.80 117.16 113.35 2dmw n TYR 97 Ca -0.05 -1.75 -0.07 0.00 -0.16 0.00 0.00 57.90 55.88 2dmw n TYR 97 Cb 0.18 -0.47 -0.03 0.00 -0.31 0.00 0.00 39.34 38.70 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 1.21 -0.45 -0.46 2.72 0.00 -0.29 -2.20 103.07 103.60 2dmw h GLY 98 Ca 0.22 0.17 0.05 0.00 0.00 0.00 0.00 47.33 47.77 2dmw h GLY 98 CO 0.42 -0.16 -0.51 1.76 0.00 0.00 0.00 176.54 178.05 2dmw h SER 99 N -0.55 -1.72 -1.05 0.19 0.02 -1.87 0.29 113.55 108.85 2dmw h SER 99 Ca -0.04 0.23 0.27 0.00 -0.84 0.00 0.00 61.79 61.41 2dmw h SER 99 Cb 0.33 0.72 -0.10 0.00 0.14 0.00 0.00 62.40 63.49 2dmw h SER 99 CO 0.07 -0.34 0.67 0.03 -1.14 0.00 0.00 176.83 176.13 2dmw h ARG 100 N -0.30 0.38 -0.96 3.45 3.08 -1.90 0.35 114.38 118.49 2dmw h ARG 100 Ca 0.08 -0.02 0.26 0.00 0.07 0.00 0.00 59.98 60.36 2dmw h ARG 100 Cb 0.51 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.41 2dmw h ARG 100 CO -0.59 0.25 0.67 0.00 -1.07 0.00 0.00 179.97 179.23 2dmw h ALA 101 N 1.63 2.60 0.00 0.04 0.00 0.25 1.68 119.26 125.46 2dmw h ALA 101 Ca 0.61 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.32 2dmw h ALA 101 Cb 1.53 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 2dmw h ALA 101 CO -0.32 -0.91 -1.16 1.96 0.00 0.00 0.00 179.25 178.82 2dmw h GLN 102 N 0.18 0.00 -0.85 0.00 1.08 -0.23 -3.36 115.11 111.93 2dmw h GLN 102 Ca 0.49 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 57.18 2dmw h GLN 102 Cb 1.61 0.00 -0.42 0.00 -0.05 0.00 0.00 27.48 28.62 2dmw h GLN 102 CO -0.11 0.60 -0.86 0.25 -0.95 0.00 0.00 178.83 177.76 2dmw n THR 103 N -3.14 2.26 -4.10 -0.54 -2.24 0.12 -5.03 114.28 101.61 2dmw n THR 103 Ca -0.06 -4.11 -0.14 0.00 -2.27 0.00 0.00 64.05 57.46 2dmw n THR 103 Cb 0.90 -0.74 -0.13 0.00 -2.10 0.00 0.00 70.33 68.25 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 -3.60 0.41 1.00 6.98 0.00 0.53 -4.87 121.76 122.21 2dmw s ALA 104 Ca 0.46 -0.35 -0.12 0.00 0.00 0.00 0.00 51.96 51.95 2dmw s ALA 104 Cb 0.40 -0.05 0.19 0.00 0.00 0.00 0.00 23.12 23.66 2dmw s ALA 104 CO -0.01 0.05 1.09 -1.25 0.00 0.00 0.00 175.76 175.65 2dmw s PRO 105 N -0.52 0.38 0.29 0.00 0.04 -1.26 -4.88 135.00 129.05 2dmw s PRO 105 Ca -0.02 0.51 -0.29 0.00 0.04 0.00 0.00 61.00 61.24 2dmw s PRO 105 Cb -0.04 -1.73 -0.10 0.00 0.04 0.00 0.00 34.50 32.67 2dmw s PRO 105 CO -0.00 -2.76 1.24 -1.25 0.04 0.00 0.00 177.00 174.27 2dmw s PRO 106 N -4.96 4.45 -1.27 0.56 0.04 -1.26 -3.21 135.00 129.35 2dmw s PRO 106 Ca 0.65 2.05 -0.08 0.00 0.04 0.00 0.00 61.00 63.67 2dmw s PRO 106 Cb -0.19 -3.14 0.01 0.00 0.04 0.00 0.00 34.50 31.23 2dmw s PRO 106 CO 0.58 -0.08 1.00 0.66 0.04 0.00 0.00 177.00 179.20 2dmw n TYR 107 N 1.33 -2.51 -0.11 0.56 4.02 -1.14 -4.93 117.16 114.38 2dmw n TYR 107 Ca 0.01 0.86 -0.23 0.00 -0.01 0.00 0.00 57.90 58.53 2dmw n TYR 107 Cb 0.43 -4.62 -0.10 0.00 -0.02 0.00 0.00 39.34 35.02 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 -4.57 0.86 -1.57 -0.72 0.00 -1.20 -4.45 120.51 108.86 2dmw n ALA 108 Ca -0.01 -0.63 -0.30 0.00 0.00 0.00 0.00 53.44 52.50 2dmw n ALA 108 Cb 0.56 -0.36 0.07 0.00 0.00 0.00 0.00 19.45 19.72 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 -4.40 2.96 0.01 0.00 2.81 -1.26 -4.63 117.12 112.61 2dmw n MET 109 Ca -0.36 -3.58 -0.18 0.00 -1.81 0.00 0.00 57.70 51.78 2dmw n MET 109 Cb 0.70 -2.27 -0.13 0.00 -0.71 0.00 0.00 33.22 30.82 2dmw n MET 109 CO 0.00 0.00 0.00 -0.97 1.51 0.00 0.00 175.97 176.51 2dmw h ASN 110 N 2.00 0.38 0.37 7.83 -1.24 -1.78 -2.93 115.58 120.20 2dmw h ASN 110 Ca 0.51 -0.86 -0.00 0.00 0.71 0.00 0.00 56.30 56.66 2dmw h ASN 110 Cb 1.15 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 40.06 2dmw h ASN 110 CO 1.25 1.20 -0.40 -1.28 -1.29 0.00 0.00 177.43 176.92 2dmw h SER 111 N -0.39 -1.10 0.01 1.15 0.87 -1.91 0.92 113.55 113.10 2dmw h SER 111 Ca -0.08 0.10 0.03 0.00 -1.23 0.00 0.00 61.79 60.61 2dmw h SER 111 Cb 1.33 0.37 -0.05 0.00 -0.44 0.00 0.00 62.40 63.62 2dmw h SER 111 CO 0.10 -0.54 -0.29 -0.33 -0.53 0.00 0.00 176.83 175.24 2dmw h GLU 112 N -0.80 -0.43 -0.01 2.24 3.07 -1.91 -0.97 114.58 115.77 2dmw h GLU 112 Ca -0.03 0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 2dmw h GLU 112 Cb 0.72 0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.73 2dmw h GLU 112 CO -0.08 -0.29 -0.10 0.35 -1.40 0.00 0.00 179.01 177.49 2dmw h PHE 113 N -0.45 0.02 -0.45 4.33 3.57 -1.36 -2.36 116.94 120.24 2dmw h PHE 113 Ca 0.06 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 2dmw h PHE 113 Cb 0.53 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 2dmw h PHE 113 CO -0.31 0.12 0.28 1.03 -2.23 0.00 0.00 178.31 177.19 2dmw h SER 114 N 0.02 0.54 -0.14 0.41 0.87 0.22 0.22 113.55 115.69 2dmw h SER 114 Ca 0.00 -0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.46 2dmw h SER 114 Cb 0.19 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 2dmw h SER 114 CO 0.01 0.43 -0.11 0.77 -0.53 0.00 0.00 176.83 177.40 2dmw h SER 115 N 0.60 0.34 0.29 6.23 4.64 -0.94 -1.70 113.55 123.01 2dmw h SER 115 Ca 0.16 -0.46 -0.01 0.00 -0.47 0.00 0.00 61.79 61.01 2dmw h SER 115 Cb -0.01 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 2dmw h SER 115 CO -0.03 0.73 -0.14 0.58 -0.87 0.00 0.00 176.83 177.10 2dmw h VAL 116 N -0.04 0.72 -0.36 0.95 2.07 -1.31 -2.35 116.25 115.94 2dmw h VAL 116 Ca 0.03 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.55 2dmw h VAL 116 Cb 0.62 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 2dmw h VAL 116 CO 0.03 0.01 0.13 -0.07 0.02 0.00 0.00 177.57 177.69 2dmw h LEU 117 N -0.40 0.14 -0.39 2.57 3.38 -0.62 -2.11 115.31 117.87 2dmw h LEU 117 Ca -0.04 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.05 2dmw h LEU 117 Cb 0.31 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.00 2dmw h LEU 117 CO 0.06 0.12 -0.20 0.00 0.09 0.00 0.00 178.44 178.51 2dmw h ALA 118 N 1.23 0.08 -1.01 1.53 0.00 -1.17 0.13 119.26 120.07 2dmw h ALA 118 Ca 0.16 0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.26 2dmw h ALA 118 Cb 0.14 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 2dmw h ALA 118 CO -0.17 -0.57 0.66 0.00 0.00 0.00 0.00 179.25 179.17 2dmw h ALA 119 N 1.13 1.37 -0.26 0.00 0.00 -1.05 -2.06 119.26 118.39 2dmw h ALA 119 Ca 0.19 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2dmw h ALA 119 Cb 0.43 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2dmw h ALA 119 CO -0.47 0.50 0.05 1.96 0.00 0.00 0.00 179.25 181.29 2dmw h GLN 120 N 1.23 0.42 0.36 0.00 1.08 -0.43 -1.16 115.11 116.60 2dmw h GLN 120 Ca 0.42 -0.11 -0.00 0.00 -1.45 0.00 0.00 58.65 57.51 2dmw h GLN 120 Cb 0.09 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 2dmw h GLN 120 CO -0.15 0.53 -0.40 -0.07 -0.95 0.00 0.00 178.83 177.79 2dmw h LEU 121 N 0.25 -1.12 0.34 1.46 3.38 -0.33 0.28 115.31 119.58 2dmw h LEU 121 Ca 0.08 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 2dmw h LEU 121 Cb 0.31 0.38 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 2dmw h LEU 121 CO 0.00 -0.54 -0.35 0.50 0.09 0.00 0.00 178.44 178.14 2dmw h LYS 122 N -0.80 -0.70 0.12 1.13 3.64 -1.40 0.12 116.57 118.68 2dmw h LYS 122 Ca -0.03 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2dmw h LYS 122 Cb 0.72 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.68 2dmw h LYS 122 CO -0.09 -0.47 -0.35 0.45 -2.27 0.00 0.00 179.45 176.73 2dmw h HIS 123 N -0.72 -1.00 -0.09 1.91 3.86 -1.11 -2.68 115.15 115.31 2dmw h HIS 123 Ca -0.02 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.24 2dmw h HIS 123 Cb 0.66 0.42 -0.05 0.00 1.06 0.00 0.00 27.41 29.50 2dmw h HIS 123 CO -0.21 -0.40 -0.45 0.45 0.86 0.00 0.00 177.93 178.18 2dmw h HIS 124 N -0.52 -1.33 -3.25 2.45 3.86 -0.40 -3.40 115.15 112.55 2dmw h HIS 124 Ca -0.01 0.05 -0.49 0.00 -1.16 0.00 0.00 60.37 58.76 2dmw h HIS 124 Cb 0.51 0.59 -0.38 0.00 1.06 0.00 0.00 27.41 29.19 2dmw h HIS 124 CO -0.37 -0.45 -0.78 -1.12 0.86 0.00 0.00 177.93 176.07 2dmw s SER 125 N -4.43 2.13 0.22 2.45 0.01 0.41 -5.02 113.70 109.47 2dmw s SER 125 Ca -0.13 -0.35 -0.02 0.00 1.31 0.00 0.00 55.95 56.77 2dmw s SER 125 Cb 0.06 -0.63 0.47 0.00 0.21 0.00 0.00 66.02 66.13 2dmw s SER 125 CO 0.50 -0.19 1.17 -1.54 0.41 0.00 0.00 173.24 173.59 2dmw n SER 126 N 5.04 -0.17 0.00 2.44 3.41 -1.02 -3.93 113.62 119.39 2dmw n SER 126 Ca -0.09 1.28 0.00 0.00 -0.26 0.00 0.00 58.87 59.80 2dmw n SER 126 Cb 0.49 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 2dmw n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmw n GLY 127 N -1.42 0.84 0.06 5.00 0.00 -1.26 -4.66 105.19 103.75 2dmw n GLY 127 Ca 0.15 -1.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.02 -6.98 1.61 0.13 -1.89 -3.43 132.00 121.42 2dmw h PRO 128 Ca 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.59 2dmw h PRO 128 Cb 0.00 0.01 0.12 0.00 0.13 0.00 0.00 31.00 31.25 2dmw h PRO 128 CO 0.00 0.46 0.72 0.45 -0.23 0.00 0.00 178.00 179.41 2dmw s SER 129 N -5.67 5.96 -0.17 1.44 0.15 -1.26 -4.47 113.70 109.68 2dmw s SER 129 Ca -0.16 2.97 -0.10 0.00 0.70 0.00 0.00 55.95 59.36 2dmw s SER 129 Cb 0.02 -2.66 -0.07 0.00 -1.71 0.00 0.00 66.02 61.59 2dmw s SER 129 CO 0.66 -1.13 -0.24 -0.24 1.20 0.00 0.00 173.24 173.50 2dmw n SER 130 N -0.06 1.36 0.00 5.45 2.88 -1.26 -4.99 113.62 116.99 2dmw n SER 130 Ca 0.04 0.23 0.09 0.00 -1.33 0.00 0.00 58.87 57.91 2dmw n SER 130 Cb 0.41 -0.55 0.56 0.00 -0.75 0.00 0.00 64.21 63.87 2dmw n SER 130 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42