#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 5.30 -0.29 1.61 1.04 -1.26 -5.13 113.70 114.97 2dmw s SER 2 Ca 0.00 -0.64 -0.15 0.00 0.48 0.00 0.00 55.95 55.64 2dmw s SER 2 Cb 0.00 -0.46 0.13 0.00 0.10 0.00 0.00 66.02 65.79 2dmw s SER 2 CO 0.00 -0.80 0.84 -0.94 0.98 0.00 0.00 173.24 173.32 2dmw s SER 3 N -4.29 -0.76 0.25 7.02 1.04 -1.26 -5.15 113.70 110.54 2dmw s SER 3 Ca 0.52 1.15 0.00 0.00 0.48 0.00 0.00 55.95 58.09 2dmw s SER 3 Cb -0.06 1.57 0.00 0.00 0.10 0.00 0.00 66.02 67.62 2dmw s SER 3 CO 0.31 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.97 2dmw n GLY 4 N 4.47 -1.09 2.77 7.32 0.00 -1.26 -4.73 105.19 112.67 2dmw n GLY 4 Ca -0.16 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 2dmw n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dmw n SER 5 N -4.27 -4.43 -4.03 1.61 7.64 -1.26 -4.91 113.62 103.96 2dmw n SER 5 Ca 0.01 0.35 -0.33 0.00 1.01 0.00 0.00 58.87 59.91 2dmw n SER 5 Cb 0.36 -0.71 -0.12 0.00 -1.01 0.00 0.00 64.21 62.73 2dmw n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dmw s SER 6 N -0.89 4.83 -0.31 6.43 0.15 -1.26 -4.95 113.70 117.69 2dmw s SER 6 Ca 0.42 -2.70 -0.10 0.00 0.70 0.00 0.00 55.95 54.27 2dmw s SER 6 Cb -0.29 -1.74 0.20 0.00 -1.71 0.00 0.00 66.02 62.49 2dmw s SER 6 CO 0.67 -0.34 1.13 -0.83 1.20 0.00 0.00 173.24 175.07 2dmw s GLY 7 N 0.51 -1.81 0.71 9.45 0.00 -1.26 -5.17 107.32 109.76 2dmw s GLY 7 Ca 0.15 1.08 -0.11 0.00 0.00 0.00 0.00 44.72 45.84 2dmw s GLY 7 CO -0.03 4.40 1.07 1.06 0.00 0.00 0.00 173.10 179.60 2dmw s MET 8 N 1.48 2.79 0.00 2.90 1.00 -1.26 -4.70 119.30 121.51 2dmw s MET 8 Ca 0.19 0.78 0.00 0.00 0.00 0.00 0.00 55.69 56.66 2dmw s MET 8 Cb 0.09 -1.99 0.00 0.00 0.00 0.00 0.00 34.83 32.94 2dmw s MET 8 CO -0.14 -1.16 0.00 0.00 0.00 0.00 0.00 175.02 173.72 2dmw n ALA 9 N -3.14 0.00 -3.15 3.03 0.00 -1.26 -4.86 120.51 111.12 2dmw n ALA 9 Ca 0.07 -0.04 -0.20 0.00 0.00 0.00 0.00 53.44 53.27 2dmw n ALA 9 Cb 0.55 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.80 0.67 -0.21 0.00 1.09 -1.26 -4.69 121.20 116.00 2dmw s ILE 10 Ca 0.00 -0.28 -0.05 0.00 -1.10 0.00 0.00 60.65 59.22 2dmw s ILE 10 Cb 0.00 -0.62 -0.12 0.00 -1.06 0.00 0.00 42.46 40.67 2dmw s ILE 10 CO 0.00 0.22 -0.23 0.18 -0.10 0.00 0.00 174.94 175.01 2dmw n LEU 11 N 3.44 2.27 -4.37 2.97 4.77 -1.23 -4.96 117.00 119.88 2dmw n LEU 11 Ca -0.19 0.08 -0.33 0.00 -0.03 0.00 0.00 56.01 55.53 2dmw n LEU 11 Cb 0.54 -0.69 -0.14 0.00 -2.33 0.00 0.00 43.42 40.80 2dmw n LEU 11 CO 0.24 0.65 -0.43 0.12 -1.33 0.00 0.00 177.39 176.65 2dmw s PHE 12 N -2.41 2.85 -0.24 -1.77 5.36 -1.23 -2.35 117.98 118.19 2dmw s PHE 12 Ca -0.29 -0.68 -0.04 0.00 -0.96 0.00 0.00 56.93 54.96 2dmw s PHE 12 Cb 0.10 -1.89 0.13 0.00 -0.34 0.00 0.00 43.02 41.01 2dmw s PHE 12 CO 0.43 -0.26 0.43 0.00 -1.46 0.00 0.00 175.22 174.36 2dmw s ALA 13 N 0.54 -1.31 0.08 11.12 0.00 -1.24 -1.93 121.76 129.02 2dmw s ALA 13 Ca -0.07 1.26 0.02 0.00 0.00 0.00 0.00 51.96 53.16 2dmw s ALA 13 Cb -0.15 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 2dmw s ALA 13 CO 0.04 -1.13 -0.07 0.14 0.00 0.00 0.00 175.76 174.74 2dmw s VAL 14 N 2.62 0.60 -0.16 0.00 -7.23 -1.14 -3.10 120.40 111.99 2dmw s VAL 14 Ca 0.10 -1.66 0.01 0.00 -1.81 0.00 0.00 61.98 58.61 2dmw s VAL 14 Cb -0.14 -1.33 0.00 0.00 0.56 0.00 0.00 36.38 35.47 2dmw s VAL 14 CO -0.16 -0.73 -0.16 -0.69 -0.31 0.00 0.00 175.10 173.04 2dmw s VAL 15 N -2.95 2.53 -0.03 1.32 1.01 -0.17 -3.20 120.40 118.91 2dmw s VAL 15 Ca 0.05 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 2dmw s VAL 15 Cb 0.01 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.34 2dmw s VAL 15 CO -0.04 0.52 0.07 0.00 0.00 0.00 0.00 175.10 175.65 2dmw s ALA 16 N 0.88 -0.13 -0.21 5.51 0.00 -0.85 -1.94 121.76 125.02 2dmw s ALA 16 Ca -0.04 0.28 -0.01 0.00 0.00 0.00 0.00 51.96 52.19 2dmw s ALA 16 Cb -0.15 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 22.79 2dmw s ALA 16 CO -0.02 -0.06 -0.12 -0.98 0.00 0.00 0.00 175.76 174.58 2dmw s ARG 17 N 0.40 3.09 -0.76 0.00 1.70 0.15 -1.28 118.95 122.25 2dmw s ARG 17 Ca -0.03 -0.79 -0.00 0.00 -0.47 0.00 0.00 55.73 54.44 2dmw s ARG 17 Cb -0.04 -2.81 0.00 0.00 -0.57 0.00 0.00 34.95 31.52 2dmw s ARG 17 CO -0.01 -0.24 0.67 0.41 -1.08 0.00 0.00 175.30 175.04 2dmw n GLY 18 N 4.69 -1.26 4.11 3.88 0.00 -1.26 -2.74 105.19 112.61 2dmw n GLY 18 Ca -0.19 0.51 -0.32 0.00 0.00 0.00 0.00 46.02 46.03 2dmw n GLY 18 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dmw n THR 19 N -1.98 -1.85 -3.40 2.61 -2.24 -1.26 -4.94 114.28 101.21 2dmw n THR 19 Ca -0.08 -0.23 -0.12 0.00 -2.27 0.00 0.00 64.05 61.35 2dmw n THR 19 Cb 0.55 -2.06 -0.10 0.00 -2.10 0.00 0.00 70.33 66.62 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 -3.61 -0.51 -0.56 4.28 2.01 -1.11 -5.05 115.64 111.08 2dmw s THR 20 Ca 0.41 -0.09 -0.25 0.00 0.31 0.00 0.00 61.69 62.07 2dmw s THR 20 Cb -0.22 -0.77 0.04 0.00 0.01 0.00 0.00 72.50 71.55 2dmw s THR 20 CO 0.91 -0.16 1.01 -0.63 -0.69 0.00 0.00 174.62 175.07 2dmw s ILE 21 N 2.47 4.28 0.00 1.82 1.01 -1.26 0.33 121.20 129.85 2dmw s ILE 21 Ca 0.11 0.42 -0.19 0.00 0.00 0.00 0.00 60.65 60.98 2dmw s ILE 21 Cb -0.15 -4.60 -0.28 0.00 0.01 0.00 0.00 42.46 37.44 2dmw s ILE 21 CO -0.15 -1.19 1.03 -0.07 0.00 0.00 0.00 174.94 174.56 2dmw h LEU 22 N 11.26 0.62 -7.29 2.97 3.38 -1.42 -3.40 115.31 121.42 2dmw h LEU 22 Ca -0.26 -0.85 -0.25 0.00 0.09 0.00 0.00 57.88 56.61 2dmw h LEU 22 Cb 1.07 -0.19 -0.33 0.00 0.09 0.00 0.00 40.66 41.29 2dmw h LEU 22 CO 1.12 1.40 -0.58 0.00 0.09 0.00 0.00 178.44 180.47 2dmw s ALA 23 N -2.87 -0.34 -0.02 1.53 0.00 -1.15 -4.06 121.76 114.85 2dmw s ALA 23 Ca -0.12 0.74 0.05 0.00 0.00 0.00 0.00 51.96 52.63 2dmw s ALA 23 Cb 0.03 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 2dmw s ALA 23 CO 0.86 -0.45 -0.18 -1.59 0.00 0.00 0.00 175.76 174.40 2dmw s LYS 24 N 1.96 1.54 -0.26 0.00 -2.85 -1.26 -1.00 119.74 117.87 2dmw s LYS 24 Ca -0.02 -0.63 -0.02 0.00 -1.00 0.00 0.00 55.97 54.30 2dmw s LYS 24 Cb -0.12 -1.44 0.15 0.00 -2.06 0.00 0.00 37.83 34.36 2dmw s LYS 24 CO -0.07 0.35 0.45 -1.58 0.10 0.00 0.00 175.35 174.60 2dmw s HIS 25 N -0.30 -1.10 0.24 1.78 2.46 -1.18 -4.86 115.29 112.33 2dmw s HIS 25 Ca 0.04 1.10 0.04 0.00 0.47 0.00 0.00 55.06 56.71 2dmw s HIS 25 Cb -0.08 0.19 -0.05 0.00 -0.13 0.00 0.00 32.58 32.51 2dmw s HIS 25 CO 0.00 -0.79 -0.00 0.00 -2.47 0.00 0.00 174.74 171.48 2dmw s ALA 26 N 2.65 1.90 0.63 1.58 0.00 -1.26 -3.62 121.76 123.64 2dmw s ALA 26 Ca 0.15 -1.80 -0.15 0.00 0.00 0.00 0.00 51.96 50.16 2dmw s ALA 26 Cb -0.15 0.49 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 2dmw s ALA 26 CO -0.18 -0.24 1.08 -1.58 0.00 0.00 0.00 175.76 174.84 2dmw s TRP 27 N -3.38 2.82 -0.38 0.00 0.52 -0.99 -4.96 118.94 112.57 2dmw s TRP 27 Ca 0.29 1.53 -0.29 0.00 0.02 0.00 0.00 56.10 57.65 2dmw s TRP 27 Cb 0.06 -3.08 0.01 0.00 -1.15 0.00 0.00 33.47 29.30 2dmw s TRP 27 CO 0.10 -1.39 1.41 0.00 0.02 0.00 0.00 176.95 177.08 2dmw n GLY 29 N 4.93 -1.52 0.00 0.00 0.00 -1.26 -5.18 105.19 102.16 2dmw n GLY 29 Ca 0.16 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.73 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 -0.51 7.13 3.27 -0.02 0.00 -1.26 -5.11 105.19 108.69 2dmw n GLY 30 Ca 0.00 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 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 1.00 5.70 -0.22 1.61 -0.87 -1.26 -4.89 114.94 116.01 2dmw s ASN 31 Ca 0.00 -1.56 -0.02 0.00 -1.57 0.00 0.00 52.86 49.70 2dmw s ASN 31 Cb 0.00 -2.01 -0.13 0.00 -0.02 0.00 0.00 41.25 39.09 2dmw s ASN 31 CO 0.00 -0.58 -0.23 0.49 -2.57 0.00 0.00 177.10 174.22 2dmw n PHE 32 N 4.95 0.00 -0.54 2.20 3.72 -1.26 -4.45 117.46 122.07 2dmw n PHE 32 Ca -0.10 0.00 0.41 0.00 -0.05 0.00 0.00 57.45 57.71 2dmw n PHE 32 Cb 0.43 -0.83 0.64 0.00 -0.94 0.00 0.00 39.48 38.77 2dmw n PHE 32 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 2dmw n LEU 33 N -3.42 0.03 0.19 4.37 7.94 -1.26 -0.20 117.00 124.66 2dmw n LEU 33 Ca -0.41 0.85 -0.07 0.00 -1.11 0.00 0.00 56.01 55.27 2dmw n LEU 33 Cb 0.88 -0.42 -0.04 0.00 0.53 0.00 0.00 43.42 44.37 2dmw n LEU 33 CO 0.16 -0.87 0.49 -0.33 -1.11 0.00 0.00 177.39 175.73 2dmw h GLU 34 N 0.00 -0.47 -0.90 1.96 5.08 -2.00 -0.88 114.58 117.37 2dmw h GLU 34 Ca 0.75 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 59.22 2dmw h GLU 34 Cb 2.92 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 32.21 2dmw h GLU 34 CO -0.07 -0.31 0.58 -0.24 -1.00 0.00 0.00 179.01 177.97 2dmw h VAL 35 N -0.51 1.01 -0.15 3.13 3.04 -0.85 -0.40 116.25 121.52 2dmw h VAL 35 Ca -0.05 -0.33 -0.02 0.00 -1.01 0.00 0.00 66.70 65.29 2dmw h VAL 35 Cb 0.37 -0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 29.62 2dmw h VAL 35 CO 0.08 0.17 0.01 0.74 -1.01 0.00 0.00 177.57 177.57 2dmw h THR 36 N 0.95 1.10 0.23 3.17 2.02 -1.26 -1.94 112.91 117.18 2dmw h THR 36 Ca 0.41 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 2dmw h THR 36 Cb 0.32 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2dmw h THR 36 CO -0.17 0.12 -0.11 -0.33 0.37 0.00 0.00 175.52 175.40 2dmw h GLU 37 N 0.21 -0.30 -0.98 6.66 5.08 0.40 -1.99 114.58 123.66 2dmw h GLU 37 Ca 0.05 0.02 0.21 0.00 -1.00 0.00 0.00 59.36 58.64 2dmw h GLU 37 Cb 0.14 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.36 2dmw h GLU 37 CO 0.00 0.01 0.62 -0.56 -1.00 0.00 0.00 179.01 178.08 2dmw h GLN 38 N -0.98 0.57 -0.19 2.33 3.07 -1.33 -0.32 115.11 118.26 2dmw h GLN 38 Ca -0.03 -0.03 -0.11 0.00 0.09 0.00 0.00 58.65 58.56 2dmw h GLN 38 Cb 0.45 -0.13 -0.00 0.00 0.08 0.00 0.00 27.48 27.88 2dmw h GLN 38 CO 0.05 0.38 -0.32 0.82 0.09 0.00 0.00 178.83 179.86 2dmw h ILE 39 N 0.59 1.34 -0.57 1.86 1.08 -1.41 -3.22 117.51 117.17 2dmw h ILE 39 Ca 0.55 -1.54 0.09 0.00 -0.39 0.00 0.00 64.86 63.57 2dmw h ILE 39 Cb 1.09 1.86 -0.07 0.00 -3.07 0.00 0.00 36.82 36.63 2dmw h ILE 39 CO -0.30 0.47 0.19 -0.07 -0.69 0.00 0.00 178.15 177.75 2dmw h LEU 40 N 0.21 0.16 0.00 1.44 3.38 -0.28 0.41 115.31 120.63 2dmw h LEU 40 Ca 0.01 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2dmw h LEU 40 Cb 0.90 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2dmw h LEU 40 CO 0.07 0.10 0.00 0.00 0.09 0.00 0.00 178.44 178.70 2dmw n ALA 41 N -2.48 1.31 -0.03 1.53 0.00 -0.76 -1.23 120.51 118.86 2dmw n ALA 41 Ca 0.08 -0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.53 2dmw n ALA 41 Cb 0.26 -1.08 -0.11 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.39 0.84 -2.62 0.00 5.02 0.13 -4.96 118.16 115.18 2dmw n LYS 42 Ca 0.02 -0.10 -0.42 0.00 -2.02 0.00 0.00 58.31 55.79 2dmw n LYS 42 Cb 0.05 -1.36 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 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 -2.83 4.60 0.75 -0.18 1.01 -0.19 -5.03 121.20 119.34 2dmw s ILE 43 Ca -0.06 1.87 -0.11 0.00 0.00 0.00 0.00 60.65 62.35 2dmw s ILE 43 Cb 0.08 -4.20 0.05 0.00 0.01 0.00 0.00 42.46 38.39 2dmw s ILE 43 CO 0.61 0.12 1.10 -2.16 0.00 0.00 0.00 174.94 174.60 2dmw s PRO 44 N 1.23 2.36 -0.22 2.79 0.04 -1.26 -4.96 135.00 134.98 2dmw s PRO 44 Ca 0.54 1.21 0.14 0.00 0.04 0.00 0.00 61.00 62.93 2dmw s PRO 44 Cb -0.23 -1.91 0.81 0.00 0.04 0.00 0.00 34.50 33.21 2dmw s PRO 44 CO 0.27 -1.57 1.73 -1.13 0.04 0.00 0.00 177.00 176.34 2dmw n SER 45 N -3.30 5.63 -4.82 6.66 3.41 -1.26 -4.93 113.62 115.01 2dmw n SER 45 Ca 0.09 -2.88 -0.37 0.00 -0.26 0.00 0.00 58.87 55.46 2dmw n SER 45 Cb 0.53 -0.68 -0.07 0.00 -0.26 0.00 0.00 64.21 63.73 2dmw n SER 45 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2dmw s GLU 46 N -2.67 3.75 -0.89 4.33 8.01 -1.26 -4.77 118.70 125.20 2dmw s GLU 46 Ca 0.54 -0.08 -0.25 0.00 0.01 0.00 0.00 54.97 55.20 2dmw s GLU 46 Cb 0.41 -3.27 -0.21 0.00 -4.31 0.00 0.00 34.13 26.74 2dmw s GLU 46 CO 0.17 0.60 2.50 0.27 0.01 0.00 0.00 175.26 178.81 2dmw n ASN 47 N 2.50 0.39 -3.63 -0.19 6.94 -1.26 -4.78 115.26 115.23 2dmw n ASN 47 Ca -0.18 -0.25 -0.05 0.00 -0.02 0.00 0.00 54.58 54.08 2dmw n ASN 47 Cb 0.54 -1.02 -0.06 0.00 -2.36 0.00 0.00 39.78 36.88 2dmw n ASN 47 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2dmw s ASN 48 N 7.73 -0.18 0.16 0.53 4.22 -1.26 -5.08 114.94 121.06 2dmw s ASN 48 Ca 1.25 0.27 0.08 0.00 -2.14 0.00 0.00 52.86 52.32 2dmw s ASN 48 Cb -0.87 0.24 -0.04 0.00 1.28 0.00 0.00 41.25 41.86 2dmw s ASN 48 CO 0.43 -0.11 -0.18 -0.54 -2.04 0.00 0.00 177.10 174.65 2dmw s LYS 49 N -0.54 1.27 -0.01 3.55 1.02 -1.26 -3.96 119.74 119.81 2dmw s LYS 49 Ca 0.05 -1.40 -0.24 0.00 0.02 0.00 0.00 55.97 54.40 2dmw s LYS 49 Cb -0.03 -1.33 0.05 0.00 -0.52 0.00 0.00 37.83 36.01 2dmw s LYS 49 CO -0.08 0.27 0.53 -1.17 -0.92 0.00 0.00 175.35 173.99 2dmw s LEU 50 N -2.65 -0.09 -0.43 3.17 0.20 -1.26 -5.09 118.68 112.54 2dmw s LEU 50 Ca 0.16 0.39 -0.20 0.00 0.69 0.00 0.00 54.13 55.16 2dmw s LEU 50 Cb -0.06 2.08 0.02 0.00 -0.43 0.00 0.00 46.19 47.81 2dmw s LEU 50 CO 0.07 -0.60 0.60 -0.89 -0.29 0.00 0.00 176.35 175.24 2dmw s THR 51 N -1.62 4.88 -0.24 3.68 2.01 -1.26 -4.07 115.64 119.02 2dmw s THR 51 Ca -0.10 0.08 -0.09 0.00 0.31 0.00 0.00 61.69 61.89 2dmw s THR 51 Cb -0.02 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 2dmw s THR 51 CO 0.05 -0.53 0.12 -0.47 -0.69 0.00 0.00 174.62 173.10 2dmw s TYR 52 N 2.68 3.20 -0.28 4.92 6.14 -0.78 -5.01 117.35 128.23 2dmw s TYR 52 Ca 0.21 -0.03 -0.08 0.00 0.64 0.00 0.00 57.07 57.80 2dmw s TYR 52 Cb -0.15 -2.26 -0.02 0.00 0.42 0.00 0.00 41.96 39.96 2dmw s TYR 52 CO 0.18 -0.12 0.11 -1.54 0.64 0.00 0.00 175.55 174.81 2dmw s SER 53 N 1.32 5.32 -0.15 4.32 1.04 -1.26 0.42 113.70 124.71 2dmw s SER 53 Ca 0.06 -0.39 0.02 0.00 0.48 0.00 0.00 55.95 56.12 2dmw s SER 53 Cb -0.15 -1.95 0.01 0.00 0.10 0.00 0.00 66.02 64.03 2dmw s SER 53 CO 0.06 -0.12 -0.21 -2.28 0.98 0.00 0.00 173.24 171.67 2dmw s HIS 54 N 1.60 2.63 0.00 5.02 2.46 -0.69 -4.98 115.29 121.33 2dmw s HIS 54 Ca 0.05 -1.40 0.00 0.00 0.47 0.00 0.00 55.06 54.18 2dmw s HIS 54 Cb -0.16 -1.81 0.00 0.00 -0.13 0.00 0.00 32.58 30.48 2dmw s HIS 54 CO 0.05 -0.66 0.00 0.41 -2.47 0.00 0.00 174.74 172.07 2dmw n GLY 55 N 4.26 2.82 2.28 1.59 0.00 -1.26 -0.89 105.19 113.99 2dmw n GLY 55 Ca -0.20 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 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 2.04 7.57 -3.72 1.61 4.13 -1.26 -4.90 115.26 120.73 2dmw n ASN 56 Ca 0.00 -3.71 -0.14 0.00 1.68 0.00 0.00 54.58 52.41 2dmw n ASN 56 Cb 0.00 -0.99 -0.09 0.00 -1.54 0.00 0.00 39.78 37.16 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 -3.60 -0.37 0.06 3.10 1.51 -0.07 -4.50 117.35 113.47 2dmw s TYR 57 Ca 0.61 0.80 -0.14 0.00 -1.01 0.00 0.00 57.07 57.33 2dmw s TYR 57 Cb 0.48 0.16 -0.06 0.00 -0.11 0.00 0.00 41.96 42.43 2dmw s TYR 57 CO -0.01 -0.33 0.45 -0.51 -1.11 0.00 0.00 175.55 174.05 2dmw s LEU 58 N -0.52 4.42 -0.43 -1.29 1.43 -0.32 -1.71 118.68 120.26 2dmw s LEU 58 Ca -0.06 0.97 0.03 0.00 -1.03 0.00 0.00 54.13 54.04 2dmw s LEU 58 Cb -0.04 -2.88 0.12 0.00 0.03 0.00 0.00 46.19 43.42 2dmw s LEU 58 CO 0.03 0.23 0.17 -0.36 0.23 0.00 0.00 176.35 176.65 2dmw s PHE 59 N -1.26 2.93 -0.26 0.29 0.40 0.17 -2.30 117.98 117.95 2dmw s PHE 59 Ca 0.30 -2.80 -0.12 0.00 -0.60 0.00 0.00 56.93 53.71 2dmw s PHE 59 Cb -0.16 -2.53 -0.05 0.00 0.51 0.00 0.00 43.02 40.80 2dmw s PHE 59 CO 0.17 -0.83 0.24 -1.01 0.70 0.00 0.00 175.22 174.49 2dmw s HIS 60 N 0.42 3.26 -0.01 0.36 3.76 -1.19 -1.86 115.29 120.03 2dmw s HIS 60 Ca 0.15 0.25 0.06 0.00 -0.15 0.00 0.00 55.06 55.36 2dmw s HIS 60 Cb -0.23 -2.40 -0.01 0.00 1.11 0.00 0.00 32.58 31.05 2dmw s HIS 60 CO -0.05 -0.10 -0.18 1.52 -0.85 0.00 0.00 174.74 175.07 2dmw s TYR 61 N 1.60 1.65 -0.05 1.40 -0.85 -1.26 -2.51 117.35 117.33 2dmw s TYR 61 Ca 0.10 -0.31 0.05 0.00 -0.52 0.00 0.00 57.07 56.38 2dmw s TYR 61 Cb -0.15 -1.05 -0.01 0.00 0.38 0.00 0.00 41.96 41.13 2dmw s TYR 61 CO 0.09 -0.02 -0.20 0.42 -1.52 0.00 0.00 175.55 174.32 2dmw s ILE 62 N -0.46 1.62 -0.15 -3.49 1.01 -1.13 -3.98 121.20 114.62 2dmw s ILE 62 Ca 0.07 -0.82 -0.10 0.00 0.00 0.00 0.00 60.65 59.80 2dmw s ILE 62 Cb -0.07 -1.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.97 2dmw s ILE 62 CO -0.01 0.46 0.18 0.00 0.00 0.00 0.00 174.94 175.57 2dmw s GLN 64 N -0.30 0.34 -1.60 0.00 2.00 -0.63 -4.62 119.66 114.85 2dmw s GLN 64 Ca 0.13 0.71 -0.03 0.00 -2.00 0.00 0.00 55.36 54.17 2dmw s GLN 64 Cb -0.12 0.27 0.00 0.00 0.80 0.00 0.00 33.01 33.96 2dmw s GLN 64 CO 0.02 -0.09 0.40 -3.47 -0.50 0.00 0.00 175.29 171.65 2dmw n ASP 65 N 4.36 -5.96 -1.30 6.67 2.03 -1.26 -1.18 116.55 119.90 2dmw n ASP 65 Ca -0.14 -0.19 -0.13 0.00 0.52 0.00 0.00 54.79 54.85 2dmw n ASP 65 Cb 0.55 -4.84 -0.03 0.00 -0.72 0.00 0.00 41.12 36.08 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 -3.61 -1.01 -4.98 -0.67 5.12 -1.26 -4.99 116.66 105.26 2dmw n ARG 66 Ca -0.16 0.79 -0.28 0.00 -1.93 0.00 0.00 57.85 56.28 2dmw n ARG 66 Cb 0.64 -4.96 -0.16 0.00 -1.16 0.00 0.00 32.46 26.82 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 -2.59 1.63 -0.15 0.55 -1.09 -0.32 -4.26 121.20 114.97 2dmw s ILE 67 Ca 0.00 -0.83 -0.04 0.00 -2.23 0.00 0.00 60.65 57.55 2dmw s ILE 67 Cb 0.00 -1.39 -0.03 0.00 -1.58 0.00 0.00 42.46 39.46 2dmw s ILE 67 CO 0.00 0.46 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.46 2dmw s VAL 68 N -0.03 3.99 -0.41 2.92 1.01 -0.40 -1.61 120.40 125.87 2dmw s VAL 68 Ca -0.04 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.62 2dmw s VAL 68 Cb -0.12 -2.74 0.11 0.00 0.00 0.00 0.00 36.38 33.63 2dmw s VAL 68 CO 0.03 0.51 0.16 -0.31 0.00 0.00 0.00 175.10 175.49 2dmw s TYR 69 N 0.17 3.60 -0.00 5.22 1.51 -0.93 -2.01 117.35 124.92 2dmw s TYR 69 Ca -0.01 -2.81 -0.09 0.00 -1.01 0.00 0.00 57.07 53.15 2dmw s TYR 69 Cb -0.14 -3.04 -0.05 0.00 -0.11 0.00 0.00 41.96 38.62 2dmw s TYR 69 CO 0.03 -0.92 0.31 -1.17 -1.11 0.00 0.00 175.55 172.68 2dmw s LEU 70 N 0.74 4.39 -0.10 -1.29 0.20 -1.19 -2.86 118.68 118.56 2dmw s LEU 70 Ca 0.11 0.68 -0.05 0.00 0.69 0.00 0.00 54.13 55.57 2dmw s LEU 70 Cb -0.21 -2.62 0.05 0.00 -0.43 0.00 0.00 46.19 42.98 2dmw s LEU 70 CO -0.05 0.28 0.23 0.00 -0.29 0.00 0.00 176.35 176.52 2dmw s ILE 72 N 1.53 5.03 0.34 0.00 1.01 -0.81 -3.19 121.20 125.11 2dmw s ILE 72 Ca -0.07 0.82 0.04 0.00 0.00 0.00 0.00 60.65 61.44 2dmw s ILE 72 Cb -0.11 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.42 2dmw s ILE 72 CO -0.08 -0.01 0.07 0.42 0.00 0.00 0.00 174.94 175.34 2dmw s THR 73 N 2.40 1.03 0.43 2.92 -4.23 -0.97 -3.57 115.64 113.65 2dmw s THR 73 Ca 0.22 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.51 2dmw s THR 73 Cb -0.15 -2.68 -0.10 0.00 1.34 0.00 0.00 72.50 70.91 2dmw s THR 73 CO 0.10 0.00 0.97 -0.62 -0.54 0.00 0.00 174.62 174.54 2dmw s ASP 74 N -3.51 6.86 0.11 3.99 2.15 -1.26 -1.18 116.67 123.82 2dmw s ASP 74 Ca 0.33 1.78 -0.29 0.00 0.43 0.00 0.00 52.55 54.80 2dmw s ASP 74 Cb 0.07 -2.55 -0.10 0.00 -0.30 0.00 0.00 42.92 40.04 2dmw s ASP 74 CO 0.15 -0.42 1.62 -0.78 -0.17 0.00 0.00 175.17 175.58 2dmw h ASP 75 N 2.03 -0.86 -0.94 -0.34 3.58 -1.93 -2.09 116.42 115.88 2dmw h ASP 75 Ca -0.49 0.09 0.28 0.00 0.42 0.00 0.00 57.03 57.33 2dmw h ASP 75 Cb 1.19 0.31 -0.15 0.00 1.72 0.00 0.00 39.33 42.41 2dmw h ASP 75 CO 0.61 -0.41 0.38 -0.78 -2.88 0.00 0.00 179.24 176.16 2dmw h ASP 76 N -0.57 0.21 -2.98 2.28 3.58 -1.97 -3.41 116.42 113.56 2dmw h ASP 76 Ca 0.01 0.20 -0.56 0.00 0.42 0.00 0.00 57.03 57.10 2dmw h ASP 76 Cb 0.57 0.22 0.19 0.00 1.72 0.00 0.00 39.33 42.03 2dmw h ASP 76 CO -0.14 -0.16 -0.62 0.33 -2.88 0.00 0.00 179.24 175.77 2dmw n PHE 77 N -5.16 -1.45 -3.39 0.28 7.35 -0.79 -4.97 117.46 109.33 2dmw n PHE 77 Ca 0.26 0.32 -0.28 0.00 -0.76 0.00 0.00 57.45 56.99 2dmw n PHE 77 Cb 0.83 -1.84 -0.03 0.00 0.35 0.00 0.00 39.48 38.79 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 -2.54 3.62 -0.05 -4.13 2.56 -1.26 -4.96 118.70 111.94 2dmw s GLU 78 Ca 0.62 -0.04 -0.24 0.00 0.00 0.00 0.00 54.97 55.31 2dmw s GLU 78 Cb -0.34 -2.67 -0.18 0.00 2.00 0.00 0.00 34.13 32.93 2dmw s GLU 78 CO 0.62 0.24 1.01 0.00 -0.56 0.00 0.00 175.26 176.56 2dmw h ARG 79 N 1.72 -0.13 -0.94 4.30 -0.00 -1.93 -3.11 114.38 114.29 2dmw h ARG 79 Ca -0.48 0.01 0.18 0.00 -0.50 0.00 0.00 59.98 59.19 2dmw h ARG 79 Cb 1.19 0.03 -0.17 0.00 0.00 0.00 0.00 29.97 31.02 2dmw h ARG 79 CO 0.66 0.37 -0.26 0.45 0.00 0.00 0.00 179.97 181.19 2dmw n SER 80 N -4.88 -0.40 0.44 7.04 2.88 -1.26 -0.27 113.62 117.17 2dmw n SER 80 Ca -0.08 1.62 -0.19 0.00 -1.33 0.00 0.00 58.87 58.88 2dmw n SER 80 Cb 0.28 -0.46 -0.09 0.00 -0.75 0.00 0.00 64.21 63.18 2dmw n SER 80 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2dmw h ARG 81 N 0.00 -1.10 -0.51 -1.46 -0.00 -1.99 0.36 114.38 109.68 2dmw h ARG 81 Ca 0.42 0.07 0.10 0.00 -0.50 0.00 0.00 59.98 60.08 2dmw h ARG 81 Cb 0.66 0.25 -0.10 0.00 0.00 0.00 0.00 29.97 30.77 2dmw h ARG 81 CO -0.96 -0.73 -0.20 0.00 0.00 0.00 0.00 179.97 178.08 2dmw h ALA 82 N -0.98 0.20 -0.64 0.04 0.00 -0.80 -0.48 119.26 116.60 2dmw h ALA 82 Ca -0.11 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2dmw h ALA 82 Cb 0.89 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 2dmw h ALA 82 CO 0.16 -0.52 0.40 0.74 0.00 0.00 0.00 179.25 180.03 2dmw h PHE 83 N -0.08 0.76 0.09 0.00 0.04 -0.53 -2.13 116.94 115.07 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 0.45 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.32 2dmw h PHE 83 CO -0.49 0.45 -0.37 -0.91 -0.60 0.00 0.00 178.31 176.39 2dmw h ASN 84 N 0.80 -1.12 -0.19 2.17 4.21 0.71 -0.09 115.58 122.07 2dmw h ASN 84 Ca 0.25 0.12 0.05 0.00 1.21 0.00 0.00 56.30 57.93 2dmw h ASN 84 Cb -0.02 0.41 -0.07 0.00 -1.12 0.00 0.00 38.32 37.52 2dmw h ASN 84 CO -0.09 -0.39 -0.32 0.15 -1.29 0.00 0.00 177.43 175.49 2dmw h PHE 85 N -0.53 -0.88 -0.94 1.19 3.04 -1.29 -0.26 116.94 117.27 2dmw h PHE 85 Ca -0.00 0.04 0.24 0.00 3.98 0.00 0.00 57.97 62.23 2dmw h PHE 85 Cb 0.53 0.42 -0.13 0.00 2.56 0.00 0.00 35.95 39.33 2dmw h PHE 85 CO -0.41 -0.39 0.48 -0.07 -2.02 0.00 0.00 178.31 175.90 2dmw h LEU 86 N -0.36 0.47 0.26 0.59 3.38 -1.11 -1.15 115.31 117.39 2dmw h LEU 86 Ca 0.11 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 2dmw h LEU 86 Cb 0.54 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2dmw h LEU 86 CO -0.39 0.02 -0.13 -1.13 0.09 0.00 0.00 178.44 176.90 2dmw h ASN 87 N 0.46 -0.30 -0.66 -0.43 -0.73 0.52 -0.43 115.58 114.02 2dmw h ASN 87 Ca 0.61 -0.20 0.06 0.00 1.87 0.00 0.00 56.30 58.64 2dmw h ASN 87 Cb 1.17 0.08 -0.09 0.00 0.27 0.00 0.00 38.32 39.75 2dmw h ASN 87 CO -0.52 0.07 -0.49 -0.08 -0.37 0.00 0.00 177.43 176.04 2dmw h GLU 88 N -0.70 -0.12 -0.60 6.67 4.22 0.12 0.18 114.58 124.36 2dmw h GLU 88 Ca -0.04 0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.37 2dmw h GLU 88 Cb 0.48 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 2dmw h GLU 88 CO 0.06 -0.08 0.19 -0.84 -2.18 0.00 0.00 179.01 176.16 2dmw h ILE 89 N -0.13 1.23 -0.18 2.32 3.07 -1.49 -2.35 117.51 119.97 2dmw h ILE 89 Ca 0.11 -0.77 0.05 0.00 1.55 0.00 0.00 64.86 65.80 2dmw h ILE 89 Cb 0.40 0.57 -0.06 0.00 -0.27 0.00 0.00 36.82 37.46 2dmw h ILE 89 CO -0.68 0.30 -0.22 0.50 -1.05 0.00 0.00 178.15 176.99 2dmw h LYS 90 N 0.87 -0.24 -0.54 0.16 3.64 0.10 0.12 116.57 120.67 2dmw h LYS 90 Ca 0.20 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 2dmw h LYS 90 Cb 0.25 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 2dmw h LYS 90 CO -0.01 -0.16 0.18 0.87 -2.27 0.00 0.00 179.45 178.06 2dmw h LYS 91 N -0.25 0.84 -0.01 1.90 1.57 -0.73 -2.15 116.57 117.74 2dmw h LYS 91 Ca 0.12 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2dmw h LYS 91 Cb 0.43 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 2dmw h LYS 91 CO -0.33 0.76 0.01 0.00 -0.57 0.00 0.00 179.45 179.31 2dmw h ARG 92 N 0.75 0.00 -0.01 3.15 3.08 -0.84 0.58 114.38 121.09 2dmw h ARG 92 Ca 0.18 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.16 2dmw h ARG 92 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2dmw h ARG 92 CO -0.01 0.00 -0.25 0.35 -1.07 0.00 0.00 179.97 179.00 2dmw h PHE 93 N 0.00 0.26 0.00 3.04 3.57 -0.26 -1.96 116.94 121.60 2dmw h PHE 93 Ca 0.00 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.37 2dmw h PHE 93 Cb 0.02 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.73 2dmw h PHE 93 CO 0.00 0.92 0.00 -0.56 -2.23 0.00 0.00 178.31 176.44 2dmw h GLN 94 N -0.47 0.00 0.11 1.11 3.07 -0.97 0.15 115.11 118.11 2dmw h GLN 94 Ca -0.03 0.00 -0.31 0.00 0.09 0.00 0.00 58.65 58.40 2dmw h GLN 94 Cb 0.98 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.53 2dmw h GLN 94 CO 0.05 0.00 -1.63 1.15 0.09 0.00 0.00 178.83 178.49 2dmw h THR 95 N 0.00 1.03 0.00 1.86 2.02 0.13 -3.23 112.91 114.72 2dmw h THR 95 Ca 0.00 -2.71 0.00 0.00 0.77 0.00 0.00 66.41 64.47 2dmw h THR 95 Cb 0.68 2.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.77 2dmw h THR 95 CO 0.00 0.80 -0.20 0.41 0.37 0.00 0.00 175.52 176.89 2dmw n THR 96 N -3.42 0.31 -0.77 3.16 -1.04 -0.74 -4.62 114.28 107.17 2dmw n THR 96 Ca -0.19 0.43 -0.20 0.00 -2.04 0.00 0.00 64.05 62.05 2dmw n THR 96 Cb 1.05 -1.68 0.09 0.00 -1.82 0.00 0.00 70.33 67.97 2dmw n THR 96 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2dmw n TYR 97 N -2.90 2.16 0.18 -1.42 4.01 -0.12 -4.60 117.16 114.47 2dmw n TYR 97 Ca -0.03 -1.86 -0.07 0.00 -0.16 0.00 0.00 57.90 55.78 2dmw n TYR 97 Cb 0.10 -0.92 -0.03 0.00 -0.31 0.00 0.00 39.34 38.18 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 2.11 -0.48 -0.55 2.72 0.00 -1.15 -0.65 103.07 105.07 2dmw h GLY 98 Ca 0.43 0.18 0.12 0.00 0.00 0.00 0.00 47.33 48.06 2dmw h GLY 98 CO 0.91 -0.18 -0.32 0.23 0.00 0.00 0.00 176.54 177.18 2dmw h SER 99 N -0.57 -1.13 -0.83 0.19 0.87 -1.81 0.38 113.55 110.64 2dmw h SER 99 Ca -0.05 0.24 0.04 0.00 -1.23 0.00 0.00 61.79 60.79 2dmw h SER 99 Cb 0.36 0.59 -0.05 0.00 -0.44 0.00 0.00 62.40 62.86 2dmw h SER 99 CO 0.08 -0.29 0.55 0.03 -0.53 0.00 0.00 176.83 176.66 2dmw h ARG 100 N -0.11 1.00 -0.05 2.24 3.08 -1.83 -1.37 114.38 117.34 2dmw h ARG 100 Ca 0.28 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.28 2dmw h ARG 100 Cb 0.56 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 2dmw h ARG 100 CO -0.76 0.66 0.65 0.00 -1.07 0.00 0.00 179.97 179.46 2dmw h ALA 101 N 1.52 1.70 0.02 0.04 0.00 0.14 0.69 119.26 123.36 2dmw h ALA 101 Ca 0.33 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.88 2dmw h ALA 101 Cb 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 2dmw h ALA 101 CO -0.10 -0.68 -2.21 1.04 0.00 0.00 0.00 179.25 177.30 2dmw n GLN 102 N -2.76 0.68 -3.70 0.00 1.13 -0.52 -4.74 117.38 107.46 2dmw n GLN 102 Ca -0.00 0.14 -0.29 0.00 -1.94 0.00 0.00 57.00 54.91 2dmw n GLN 102 Cb 0.69 -1.61 -0.12 0.00 0.11 0.00 0.00 30.24 29.31 2dmw n GLN 102 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2dmw s THR 103 N -2.53 1.61 -0.09 5.09 -4.23 0.24 -5.08 115.64 110.64 2dmw s THR 103 Ca -0.17 -3.03 -0.30 0.00 -1.18 0.00 0.00 61.69 57.02 2dmw s THR 103 Cb 0.07 -2.10 0.12 0.00 1.34 0.00 0.00 72.50 71.93 2dmw s THR 103 CO 0.76 -0.99 0.95 0.00 -0.54 0.00 0.00 174.62 174.81 2dmw s ALA 104 N -0.17 -1.89 1.01 3.99 0.00 -1.03 -4.68 121.76 118.99 2dmw s ALA 104 Ca 0.22 1.32 -0.13 0.00 0.00 0.00 0.00 51.96 53.38 2dmw s ALA 104 Cb -0.14 -0.14 0.20 0.00 0.00 0.00 0.00 23.12 23.03 2dmw s ALA 104 CO -0.08 -0.50 1.09 -1.25 0.00 0.00 0.00 175.76 175.03 2dmw s PRO 105 N -2.10 0.30 0.37 0.00 0.04 -1.26 -4.93 135.00 127.42 2dmw s PRO 105 Ca 0.02 0.48 0.28 0.00 0.04 0.00 0.00 61.00 61.81 2dmw s PRO 105 Cb -0.01 -1.72 1.14 0.00 0.04 0.00 0.00 34.50 33.95 2dmw s PRO 105 CO -0.03 -2.81 1.82 -1.00 0.04 0.00 0.00 177.00 175.01 2dmw h PRO 106 N -1.95 0.00 -2.09 0.56 0.13 -1.88 -3.29 132.00 123.49 2dmw h PRO 106 Ca -0.55 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.03 2dmw h PRO 106 Cb 1.34 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 32.06 2dmw h PRO 106 CO 0.58 0.00 -0.96 0.66 -0.23 0.00 0.00 178.00 178.04 2dmw n TYR 107 N -2.56 1.31 0.01 1.56 4.02 -1.26 -3.50 117.16 116.75 2dmw n TYR 107 Ca 0.01 -3.83 -0.02 0.00 -0.01 0.00 0.00 57.90 54.06 2dmw n TYR 107 Cb 0.25 -0.43 -0.01 0.00 -0.02 0.00 0.00 39.34 39.13 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 0.64 2.40 -1.58 -0.72 0.00 -1.24 -4.78 120.51 115.23 2dmw n ALA 108 Ca 0.26 -0.18 -0.33 0.00 0.00 0.00 0.00 53.44 53.19 2dmw n ALA 108 Cb 0.53 0.15 0.02 0.00 0.00 0.00 0.00 19.45 20.15 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 -3.47 2.54 -0.05 0.00 2.81 -1.26 -4.47 117.12 113.22 2dmw n MET 109 Ca -0.03 -2.94 -0.22 0.00 -1.81 0.00 0.00 57.70 52.70 2dmw n MET 109 Cb 0.10 -2.17 -0.13 0.00 -0.71 0.00 0.00 33.22 30.32 2dmw n MET 109 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2dmw n ASN 110 N -0.12 1.98 0.20 7.83 5.15 -1.26 -3.60 115.26 125.45 2dmw n ASN 110 Ca 0.52 0.32 -0.08 0.00 -0.60 0.00 0.00 54.58 54.74 2dmw n ASN 110 Cb 0.44 -0.92 -0.04 0.00 -0.53 0.00 0.00 39.78 38.73 2dmw n ASN 110 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2dmw h SER 111 N -0.51 -0.43 -0.49 1.20 0.02 -1.94 0.51 113.55 111.91 2dmw h SER 111 Ca -0.39 0.01 0.09 0.00 -0.84 0.00 0.00 61.79 60.66 2dmw h SER 111 Cb 1.64 0.11 -0.10 0.00 0.14 0.00 0.00 62.40 64.20 2dmw h SER 111 CO -0.08 -0.30 -0.35 -0.33 -1.14 0.00 0.00 176.83 174.63 2dmw h GLU 112 N -0.53 -0.22 -0.58 3.45 5.08 -1.89 -0.38 114.58 119.52 2dmw h GLU 112 Ca -0.05 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2dmw h GLU 112 Cb 0.39 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 2dmw h GLU 112 CO 0.09 -0.15 0.36 0.35 -1.00 0.00 0.00 179.01 178.66 2dmw h PHE 113 N -0.23 0.68 -0.77 4.33 3.57 -1.61 -2.37 116.94 120.53 2dmw h PHE 113 Ca 0.19 0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.89 2dmw h PHE 113 Cb 0.55 -0.22 -0.13 0.00 2.79 0.00 0.00 35.95 38.94 2dmw h PHE 113 CO -0.60 0.39 0.11 1.03 -2.23 0.00 0.00 178.31 177.01 2dmw h SER 114 N 0.72 -0.16 0.07 0.41 0.87 0.17 0.25 113.55 115.89 2dmw h SER 114 Ca 0.23 0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.97 2dmw h SER 114 Cb 0.00 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2dmw h SER 114 CO -0.09 -0.13 -0.04 0.28 -0.53 0.00 0.00 176.83 176.33 2dmw h SER 115 N 0.18 -0.08 0.29 6.23 0.02 -0.95 -2.23 113.55 117.00 2dmw h SER 115 Ca 0.44 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2dmw h SER 115 Cb 0.80 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.33 2dmw h SER 115 CO -0.61 0.26 -0.46 0.58 -1.14 0.00 0.00 176.83 175.46 2dmw h VAL 116 N -0.44 0.09 -0.51 2.27 2.07 -0.74 -2.22 116.25 116.78 2dmw h VAL 116 Ca -0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.61 2dmw h VAL 116 Cb 0.38 0.09 -0.09 0.00 -1.52 0.00 0.00 31.29 30.15 2dmw h VAL 116 CO 0.02 0.00 -0.10 -0.07 0.02 0.00 0.00 177.57 177.44 2dmw h LEU 117 N -0.81 -0.42 -0.68 2.57 3.38 -0.62 -0.91 115.31 117.82 2dmw h LEU 117 Ca -0.02 0.15 0.15 0.00 0.09 0.00 0.00 57.88 58.24 2dmw h LEU 117 Cb 0.76 0.29 -0.12 0.00 0.09 0.00 0.00 40.66 41.69 2dmw h LEU 117 CO -0.17 -0.15 -0.00 0.00 0.09 0.00 0.00 178.44 178.21 2dmw h ALA 118 N 1.50 0.67 -0.60 1.53 0.00 -1.00 0.33 119.26 121.68 2dmw h ALA 118 Ca 0.25 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 2dmw h ALA 118 Cb 0.38 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2dmw h ALA 118 CO -0.50 -0.40 0.28 0.00 0.00 0.00 0.00 179.25 178.62 2dmw h ALA 119 N 1.63 1.36 -0.29 0.00 0.00 -0.60 -1.18 119.26 120.17 2dmw h ALA 119 Ca 0.36 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 2dmw h ALA 119 Cb 0.60 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2dmw h ALA 119 CO -0.59 0.50 -0.38 1.96 0.00 0.00 0.00 179.25 180.74 2dmw h GLN 120 N 0.85 0.77 0.00 0.00 1.08 0.10 -0.09 115.11 117.83 2dmw h GLN 120 Ca 0.21 -0.44 -0.00 0.00 -1.45 0.00 0.00 58.65 56.97 2dmw h GLN 120 Cb 0.11 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 2dmw h GLN 120 CO -0.03 1.07 -0.00 -0.07 -0.95 0.00 0.00 178.83 178.85 2dmw h LEU 121 N 0.53 -0.00 -0.39 1.46 3.38 -0.18 0.29 115.31 120.39 2dmw h LEU 121 Ca 0.04 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 2dmw h LEU 121 Cb 0.96 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 2dmw h LEU 121 CO 0.09 0.16 0.03 0.11 0.09 0.00 0.00 178.44 178.93 2dmw h LYS 122 N -0.17 0.67 0.80 1.13 1.57 -1.27 -1.46 116.57 117.84 2dmw h LYS 122 Ca -0.00 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.54 2dmw h LYS 122 Cb 0.17 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.42 2dmw h LYS 122 CO 0.00 0.74 -0.39 0.45 -0.57 0.00 0.00 179.45 179.69 2dmw h HIS 123 N 0.51 -1.00 0.04 -1.35 3.86 -0.94 -3.31 115.15 112.96 2dmw h HIS 123 Ca 0.12 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.31 2dmw h HIS 123 Cb 0.42 0.33 -0.04 0.00 1.06 0.00 0.00 27.41 29.18 2dmw h HIS 123 CO 0.03 -0.62 -0.41 1.25 0.86 0.00 0.00 177.93 179.04 2dmw h HIS 124 N -1.27 -1.21 -4.09 2.45 -0.00 -0.48 -3.42 115.15 107.14 2dmw h HIS 124 Ca -0.11 0.04 -0.49 0.00 -0.00 0.00 0.00 60.37 59.81 2dmw h HIS 124 Cb 0.83 0.52 0.05 0.00 -0.00 0.00 0.00 27.41 28.81 2dmw h HIS 124 CO 0.00 -0.46 0.40 0.45 -0.00 0.00 0.00 177.93 178.33 2dmw s SER 125 N -4.20 5.99 -0.60 3.26 0.15 -0.55 -4.93 113.70 112.82 2dmw s SER 125 Ca -0.12 2.03 0.00 0.00 0.70 0.00 0.00 55.95 58.56 2dmw s SER 125 Cb 0.05 -2.57 0.44 0.00 -1.71 0.00 0.00 66.02 62.23 2dmw s SER 125 CO 0.47 -1.03 1.83 -1.54 1.20 0.00 0.00 173.24 174.18 2dmw n SER 126 N -1.23 7.02 0.00 5.45 3.41 -1.26 -4.69 113.62 122.32 2dmw n SER 126 Ca 0.10 -3.78 0.00 0.00 -0.26 0.00 0.00 58.87 54.93 2dmw n SER 126 Cb 0.52 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 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 -0.82 -0.03 3.60 5.00 0.00 -1.26 -4.85 105.19 106.83 2dmw n GLY 127 Ca 0.57 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.63 3.46 -0.04 1.61 0.04 -1.26 -4.98 135.00 133.20 2dmw s PRO 128 Ca 0.00 1.36 0.01 0.00 0.04 0.00 0.00 61.00 62.41 2dmw s PRO 128 Cb 0.00 -4.13 0.02 0.00 0.04 0.00 0.00 34.50 30.43 2dmw s PRO 128 CO 0.00 -1.70 -0.03 0.45 0.04 0.00 0.00 177.00 175.75 2dmw s SER 129 N 5.32 0.93 0.18 6.66 0.15 -1.26 -4.98 113.70 120.70 2dmw s SER 129 Ca 0.75 -0.11 -0.31 0.00 0.70 0.00 0.00 55.95 56.97 2dmw s SER 129 Cb -0.21 -0.42 -0.16 0.00 -1.71 0.00 0.00 66.02 63.52 2dmw s SER 129 CO 0.33 -0.07 0.92 -0.24 1.20 0.00 0.00 173.24 175.38 2dmw n SER 130 N 4.15 0.35 0.00 5.45 2.88 -1.26 -5.20 113.62 119.99 2dmw n SER 130 Ca -0.24 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 2dmw n SER 130 Cb 0.51 -1.11 0.00 0.00 -0.75 0.00 0.00 64.21 62.86 2dmw n SER 130 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42