#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 7.20 0.44 1.61 0.01 -1.26 -5.04 113.70 116.66 2dmw s SER 2 Ca 0.00 1.72 0.08 0.00 1.31 0.00 0.00 55.95 59.06 2dmw s SER 2 Cb 0.00 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 63.66 2dmw s SER 2 CO 0.00 -0.44 0.44 -0.44 0.41 0.00 0.00 173.24 173.21 2dmw s SER 3 N 1.17 5.12 0.00 2.44 0.01 -1.26 -5.11 113.70 116.08 2dmw s SER 3 Ca 0.53 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 57.05 2dmw s SER 3 Cb -0.23 -0.44 0.00 0.00 0.21 0.00 0.00 66.02 65.57 2dmw s SER 3 CO 0.24 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.73 2dmw n GLY 4 N -1.67 -0.57 3.49 3.44 0.00 -1.26 -5.15 105.19 103.46 2dmw n GLY 4 Ca 0.05 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 2dmw n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmw s SER 5 N -4.00 4.04 0.26 1.61 1.04 -1.26 -5.02 113.70 110.37 2dmw s SER 5 Ca 0.00 -0.24 -0.10 0.00 0.48 0.00 0.00 55.95 56.09 2dmw s SER 5 Cb 0.00 -0.82 0.40 0.00 0.10 0.00 0.00 66.02 65.70 2dmw s SER 5 CO 0.00 0.32 1.57 0.28 0.98 0.00 0.00 173.24 176.39 2dmw h SER 6 N 5.08 -0.96 -3.08 7.02 0.02 -2.04 -3.34 113.55 116.25 2dmw h SER 6 Ca -0.47 0.29 -0.50 0.00 -0.84 0.00 0.00 61.79 60.27 2dmw h SER 6 Cb 1.15 0.61 -0.40 0.00 0.14 0.00 0.00 62.40 63.90 2dmw h SER 6 CO 0.50 -0.31 -0.76 -0.83 -1.14 0.00 0.00 176.83 174.29 2dmw s GLY 7 N -4.05 0.55 0.06 -3.77 0.00 -1.26 -4.78 107.32 94.07 2dmw s GLY 7 Ca -0.15 -0.68 0.23 0.00 0.00 0.00 0.00 44.72 44.12 2dmw s GLY 7 CO 0.76 1.69 1.12 1.15 0.00 0.00 0.00 173.10 177.82 2dmw n MET 8 N 5.17 0.25 -2.52 2.90 -0.00 -1.26 -4.70 117.12 116.97 2dmw n MET 8 Ca -0.07 0.02 -0.23 0.00 -0.00 0.00 0.00 57.70 57.42 2dmw n MET 8 Cb 0.47 -1.60 0.04 0.00 -0.00 0.00 0.00 33.22 32.13 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 -3.17 3.62 -0.01 3.17 0.00 -1.26 -3.93 121.76 120.19 2dmw s ALA 9 Ca 0.05 -1.14 -0.35 0.00 0.00 0.00 0.00 51.96 50.51 2dmw s ALA 9 Cb 0.14 -2.28 -0.14 0.00 0.00 0.00 0.00 23.12 20.85 2dmw s ALA 9 CO 0.78 -0.89 1.68 -0.89 0.00 0.00 0.00 175.76 176.43 2dmw n ILE 10 N -2.52 0.26 -0.06 0.00 5.41 -1.26 -4.72 119.36 116.47 2dmw n ILE 10 Ca 0.07 -0.05 -0.13 0.00 1.00 0.00 0.00 62.75 63.64 2dmw n ILE 10 Cb 0.60 -1.51 -0.05 0.00 -0.71 0.00 0.00 39.64 37.98 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 4.75 0.89 -4.68 1.39 4.77 -1.21 -4.98 117.00 117.92 2dmw n LEU 11 Ca 0.21 0.15 -0.35 0.00 -0.03 0.00 0.00 56.01 55.99 2dmw n LEU 11 Cb 0.25 -0.37 -0.09 0.00 -2.33 0.00 0.00 43.42 40.88 2dmw n LEU 11 CO 0.69 0.26 -0.25 0.12 -1.33 0.00 0.00 177.39 176.89 2dmw s PHE 12 N -2.23 3.29 -0.29 -1.77 5.36 -1.25 -2.95 117.98 118.13 2dmw s PHE 12 Ca -0.18 0.17 -0.05 0.00 -0.96 0.00 0.00 56.93 55.91 2dmw s PHE 12 Cb 0.07 -1.99 0.16 0.00 -0.34 0.00 0.00 43.02 40.91 2dmw s PHE 12 CO 0.22 0.32 0.61 0.00 -1.46 0.00 0.00 175.22 174.91 2dmw s ALA 13 N -0.13 -2.09 0.08 11.12 0.00 -1.24 -2.25 121.76 127.24 2dmw s ALA 13 Ca 0.07 2.04 0.01 0.00 0.00 0.00 0.00 51.96 54.08 2dmw s ALA 13 Cb -0.12 -1.95 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 2dmw s ALA 13 CO 0.01 -1.12 -0.05 0.14 0.00 0.00 0.00 175.76 174.73 2dmw s VAL 14 N 2.86 0.51 -0.21 0.00 -7.23 -1.19 -3.31 120.40 111.83 2dmw s VAL 14 Ca 0.08 -1.82 -0.03 0.00 -1.81 0.00 0.00 61.98 58.40 2dmw s VAL 14 Cb -0.14 -1.53 -0.01 0.00 0.56 0.00 0.00 36.38 35.27 2dmw s VAL 14 CO -0.20 -0.88 -0.07 -0.69 -0.31 0.00 0.00 175.10 172.95 2dmw s VAL 15 N -3.54 3.17 -0.03 1.32 1.01 -0.37 -3.56 120.40 118.40 2dmw s VAL 15 Ca 0.08 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.50 2dmw s VAL 15 Cb 0.05 -2.42 0.03 0.00 0.00 0.00 0.00 36.38 34.04 2dmw s VAL 15 CO -0.06 0.45 0.01 0.00 0.00 0.00 0.00 175.10 175.50 2dmw s ALA 16 N 1.33 0.23 -0.82 5.51 0.00 -0.93 -1.80 121.76 125.28 2dmw s ALA 16 Ca 0.04 0.22 -0.21 0.00 0.00 0.00 0.00 51.96 52.01 2dmw s ALA 16 Cb -0.14 -0.31 0.09 0.00 0.00 0.00 0.00 23.12 22.76 2dmw s ALA 16 CO -0.04 -0.11 1.10 -0.98 0.00 0.00 0.00 175.76 175.74 2dmw s ARG 17 N 1.09 3.38 1.90 0.00 1.70 0.17 -1.18 118.95 126.02 2dmw s ARG 17 Ca -0.09 -1.25 0.00 0.00 -0.47 0.00 0.00 55.73 53.92 2dmw s ARG 17 Cb -0.13 -4.66 0.00 0.00 -0.57 0.00 0.00 34.95 29.59 2dmw s ARG 17 CO -0.02 -1.86 0.00 0.41 -1.08 0.00 0.00 175.30 172.75 2dmw n GLY 18 N 5.59 1.93 0.59 3.88 0.00 -1.26 -2.85 105.19 113.07 2dmw n GLY 18 Ca 0.13 0.08 0.06 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 0.00 1.24 -4.26 2.61 -2.24 -1.26 -4.35 114.28 106.02 2dmw n THR 19 Ca 0.00 -1.86 -0.20 0.00 -2.27 0.00 0.00 64.05 59.72 2dmw n THR 19 Cb 0.00 0.15 -0.16 0.00 -2.10 0.00 0.00 70.33 68.22 2dmw n THR 19 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2dmw s THR 20 N -1.86 0.63 -0.42 4.28 2.01 -1.13 -5.00 115.64 114.15 2dmw s THR 20 Ca 0.28 -0.22 -0.16 0.00 0.31 0.00 0.00 61.69 61.90 2dmw s THR 20 Cb 0.27 -0.62 0.03 0.00 0.01 0.00 0.00 72.50 72.19 2dmw s THR 20 CO -0.04 0.23 0.37 -0.63 -0.69 0.00 0.00 174.62 173.86 2dmw s ILE 21 N 0.64 5.18 -0.11 1.82 1.01 -1.26 0.45 121.20 128.93 2dmw s ILE 21 Ca -0.09 -0.57 -0.28 0.00 0.00 0.00 0.00 60.65 59.70 2dmw s ILE 21 Cb -0.12 -4.01 -0.24 0.00 0.01 0.00 0.00 42.46 38.10 2dmw s ILE 21 CO 0.01 -0.40 0.89 -0.07 0.00 0.00 0.00 174.94 175.37 2dmw h LEU 22 N 8.85 -0.00 -7.24 2.97 3.38 -1.73 -3.01 115.31 118.53 2dmw h LEU 22 Ca -0.27 -0.86 -0.30 0.00 0.09 0.00 0.00 57.88 56.54 2dmw h LEU 22 Cb 1.11 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.50 2dmw h LEU 22 CO 0.78 0.86 -0.64 0.00 0.09 0.00 0.00 178.44 179.53 2dmw s ALA 23 N -2.74 -0.13 -0.04 1.53 0.00 -1.16 -2.31 121.76 116.90 2dmw s ALA 23 Ca -0.18 0.51 0.07 0.00 0.00 0.00 0.00 51.96 52.36 2dmw s ALA 23 Cb -0.02 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 2dmw s ALA 23 CO 0.68 -0.59 -0.25 -1.59 0.00 0.00 0.00 175.76 174.00 2dmw s LYS 24 N 2.29 2.38 -0.25 0.00 -2.85 -1.26 -1.23 119.74 118.82 2dmw s LYS 24 Ca 0.03 -0.91 -0.04 0.00 -1.00 0.00 0.00 55.97 54.06 2dmw s LYS 24 Cb -0.12 -2.10 0.13 0.00 -2.06 0.00 0.00 37.83 33.68 2dmw s LYS 24 CO -0.06 0.44 0.44 -1.58 0.10 0.00 0.00 175.35 174.69 2dmw s HIS 25 N -0.31 -0.99 0.21 1.78 2.46 -1.21 -4.82 115.29 112.41 2dmw s HIS 25 Ca 0.01 1.25 0.02 0.00 0.47 0.00 0.00 55.06 56.81 2dmw s HIS 25 Cb -0.12 0.23 -0.05 0.00 -0.13 0.00 0.00 32.58 32.51 2dmw s HIS 25 CO 0.02 -0.69 0.02 0.00 -2.47 0.00 0.00 174.74 171.63 2dmw s ALA 26 N 2.64 1.55 0.58 1.58 0.00 -1.26 -3.73 121.76 123.12 2dmw s ALA 26 Ca 0.10 -1.70 -0.17 0.00 0.00 0.00 0.00 51.96 50.18 2dmw s ALA 26 Cb -0.14 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 2dmw s ALA 26 CO -0.16 -0.33 1.09 -1.58 0.00 0.00 0.00 175.76 174.77 2dmw s TRP 27 N -3.62 2.81 -0.31 0.00 0.52 -1.15 -4.97 118.94 112.22 2dmw s TRP 27 Ca 0.28 1.54 -0.29 0.00 0.02 0.00 0.00 56.10 57.65 2dmw s TRP 27 Cb 0.06 -3.14 0.00 0.00 -1.15 0.00 0.00 33.47 29.25 2dmw s TRP 27 CO 0.07 -1.34 1.30 0.00 0.02 0.00 0.00 176.95 177.00 2dmw n GLY 29 N 4.34 0.97 0.00 0.00 0.00 -1.26 -5.17 105.19 104.07 2dmw n GLY 29 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 3.25 3.06 -0.02 0.00 -1.26 -5.02 105.19 105.20 2dmw n GLY 30 Ca 0.00 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.78 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 4.97 -0.22 1.61 0.01 -1.26 -4.91 114.94 115.13 2dmw s ASN 31 Ca 0.00 -2.08 0.00 0.00 -0.71 0.00 0.00 52.86 50.07 2dmw s ASN 31 Cb 0.00 -1.71 -0.14 0.00 0.41 0.00 0.00 41.25 39.81 2dmw s ASN 31 CO 0.00 -0.44 -0.21 0.49 -1.51 0.00 0.00 177.10 175.43 2dmw n PHE 32 N 4.40 0.00 -0.48 2.20 3.72 -1.26 -4.45 117.46 121.58 2dmw n PHE 32 Ca 0.01 0.00 0.38 0.00 -0.05 0.00 0.00 57.45 57.79 2dmw n PHE 32 Cb 0.42 -0.85 0.61 0.00 -0.94 0.00 0.00 39.48 38.72 2dmw n PHE 32 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 2dmw n LEU 33 N -3.25 0.08 0.09 4.37 7.94 -1.26 -0.34 117.00 124.63 2dmw n LEU 33 Ca -0.40 0.95 -0.04 0.00 -1.11 0.00 0.00 56.01 55.42 2dmw n LEU 33 Cb 0.91 -0.47 -0.02 0.00 0.53 0.00 0.00 43.42 44.37 2dmw n LEU 33 CO 0.20 -0.99 0.33 -0.08 -1.11 0.00 0.00 177.39 175.74 2dmw h GLU 34 N 0.00 -0.22 -0.84 1.96 4.81 -2.00 -1.21 114.58 117.08 2dmw h GLU 34 Ca 0.74 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 60.06 2dmw h GLU 34 Cb 2.69 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 32.06 2dmw h GLU 34 CO -0.18 -0.15 0.50 -0.24 -0.73 0.00 0.00 179.01 178.21 2dmw h VAL 35 N -0.32 0.97 0.70 0.32 3.04 -0.96 -2.06 116.25 117.95 2dmw h VAL 35 Ca -0.02 -0.30 -0.03 0.00 -1.01 0.00 0.00 66.70 65.34 2dmw h VAL 35 Cb 0.18 0.02 -0.00 0.00 -2.01 0.00 0.00 31.29 29.47 2dmw h VAL 35 CO 0.04 0.16 -0.44 0.74 -1.01 0.00 0.00 177.57 177.06 2dmw h THR 36 N 0.88 0.00 -0.60 3.17 2.02 -0.76 -1.97 112.91 115.64 2dmw h THR 36 Ca 0.39 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.69 2dmw h THR 36 Cb 0.27 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.57 2dmw h THR 36 CO -0.21 0.00 -0.16 -0.33 0.37 0.00 0.00 175.52 175.19 2dmw h GLU 37 N -1.07 -0.01 -0.31 6.66 5.08 -1.02 -0.74 114.58 123.17 2dmw h GLU 37 Ca -0.09 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.34 2dmw h GLU 37 Cb 0.86 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.04 2dmw h GLU 37 CO 0.09 -0.01 -0.26 1.96 -1.00 0.00 0.00 179.01 179.79 2dmw h GLN 38 N -0.01 -0.23 -0.73 2.33 1.08 -1.23 -1.07 115.11 115.25 2dmw h GLN 38 Ca 0.29 0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.56 2dmw h GLN 38 Cb 0.45 0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 27.87 2dmw h GLN 38 CO -0.62 -0.15 0.43 0.82 -0.95 0.00 0.00 178.83 178.35 2dmw h ILE 39 N -0.24 0.99 -0.71 2.54 1.08 -0.43 -2.08 117.51 118.67 2dmw h ILE 39 Ca 0.16 -0.27 0.12 0.00 -0.39 0.00 0.00 64.86 64.48 2dmw h ILE 39 Cb 0.48 0.14 -0.08 0.00 -3.07 0.00 0.00 36.82 34.29 2dmw h ILE 39 CO -0.44 0.14 0.30 -0.07 -0.69 0.00 0.00 178.15 177.39 2dmw h LEU 40 N 0.78 0.32 0.00 1.44 3.38 0.07 0.51 115.31 121.81 2dmw h LEU 40 Ca 0.33 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.38 2dmw h LEU 40 Cb 0.19 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2dmw h LEU 40 CO -0.18 0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.50 2dmw n ALA 41 N -2.48 1.15 -0.07 1.53 0.00 -0.79 -1.54 120.51 118.32 2dmw n ALA 41 Ca 0.12 -0.01 -0.07 0.00 0.00 0.00 0.00 53.44 53.48 2dmw n ALA 41 Cb 0.34 -1.04 -0.11 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.46 1.62 -2.08 0.00 5.02 0.16 -4.96 118.16 116.46 2dmw n LYS 42 Ca 0.01 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.88 2dmw n LYS 42 Cb 0.03 -1.35 -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 3.37 0.73 -0.18 1.01 -0.09 -4.99 121.20 118.72 2dmw s ILE 43 Ca -0.08 0.79 -0.12 0.00 0.00 0.00 0.00 60.65 61.24 2dmw s ILE 43 Cb 0.04 -3.51 0.03 0.00 0.01 0.00 0.00 42.46 39.04 2dmw s ILE 43 CO 0.55 -0.00 1.10 -2.16 0.00 0.00 0.00 174.94 174.43 2dmw s PRO 44 N 2.50 2.48 0.33 2.79 0.04 -1.26 -4.92 135.00 136.96 2dmw s PRO 44 Ca 0.69 1.26 0.18 0.00 0.04 0.00 0.00 61.00 63.16 2dmw s PRO 44 Cb -0.36 -1.92 0.29 0.00 0.04 0.00 0.00 34.50 32.55 2dmw s PRO 44 CO 0.29 -1.48 1.55 0.66 0.04 0.00 0.00 177.00 178.06 2dmw h SER 45 N -0.65 0.00 -3.12 6.66 4.64 -1.96 -3.46 113.55 115.65 2dmw h SER 45 Ca -0.45 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.29 2dmw h SER 45 Cb 1.24 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.45 2dmw h SER 45 CO 0.52 0.39 0.24 -1.84 -0.87 0.00 0.00 176.83 175.28 2dmw n GLU 46 N -3.26 1.50 -1.96 4.77 0.28 -1.26 -4.61 120.64 116.10 2dmw n GLU 46 Ca 0.02 0.54 -0.39 0.00 -0.16 0.00 0.00 57.16 57.16 2dmw n GLU 46 Cb 0.64 -2.11 -0.03 0.00 1.43 0.00 0.00 31.44 31.38 2dmw n GLU 46 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2dmw s ASN 47 N -0.66 5.29 -0.28 -1.84 -0.87 -1.26 -4.89 114.94 110.41 2dmw s ASN 47 Ca 0.62 0.66 -0.22 0.00 -1.57 0.00 0.00 52.86 52.34 2dmw s ASN 47 Cb -0.56 -2.52 0.13 0.00 -0.02 0.00 0.00 41.25 38.27 2dmw s ASN 47 CO 0.57 -2.30 1.00 0.21 -2.57 0.00 0.00 177.10 174.01 2dmw s ASN 48 N 8.25 -0.49 0.19 -1.22 2.47 -1.26 -5.04 114.94 117.83 2dmw s ASN 48 Ca 0.74 0.89 0.07 0.00 0.42 0.00 0.00 52.86 54.98 2dmw s ASN 48 Cb -0.15 0.99 -0.04 0.00 -1.45 0.00 0.00 41.25 40.60 2dmw s ASN 48 CO 0.24 -0.15 0.09 -1.59 -3.72 0.00 0.00 177.10 171.97 2dmw s LYS 49 N 0.57 2.68 -0.22 0.43 -2.85 -1.26 -4.20 119.74 114.88 2dmw s LYS 49 Ca -0.00 -1.04 -0.27 0.00 -1.00 0.00 0.00 55.97 53.66 2dmw s LYS 49 Cb -0.05 -2.48 0.10 0.00 -2.06 0.00 0.00 37.83 33.34 2dmw s LYS 49 CO -0.09 0.45 0.89 -1.17 0.10 0.00 0.00 175.35 175.53 2dmw s LEU 50 N -3.24 -0.54 -0.37 2.77 0.20 -1.25 -5.08 118.68 111.17 2dmw s LEU 50 Ca 0.30 0.92 -0.25 0.00 0.69 0.00 0.00 54.13 55.79 2dmw s LEU 50 Cb -0.09 2.13 0.01 0.00 -0.43 0.00 0.00 46.19 47.81 2dmw s LEU 50 CO 0.22 -0.28 0.86 -0.89 -0.29 0.00 0.00 176.35 175.97 2dmw s THR 51 N -0.17 4.65 -0.25 3.68 2.01 -1.26 -4.00 115.64 120.31 2dmw s THR 51 Ca -0.01 1.05 -0.09 0.00 0.31 0.00 0.00 61.69 62.95 2dmw s THR 51 Cb -0.03 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 2dmw s THR 51 CO -0.01 -0.49 0.11 -0.47 -0.69 0.00 0.00 174.62 173.08 2dmw s TYR 52 N 3.30 3.17 -0.49 4.92 6.14 -0.46 -4.99 117.35 128.94 2dmw s TYR 52 Ca 0.35 -0.13 -0.17 0.00 0.64 0.00 0.00 57.07 57.76 2dmw s TYR 52 Cb -0.13 -2.26 0.06 0.00 0.42 0.00 0.00 41.96 40.06 2dmw s TYR 52 CO 0.18 -0.18 0.52 -1.54 0.64 0.00 0.00 175.55 175.16 2dmw s SER 53 N 1.42 6.19 -0.26 4.32 1.04 -1.26 0.54 113.70 125.69 2dmw s SER 53 Ca 0.06 -1.09 -0.01 0.00 0.48 0.00 0.00 55.95 55.39 2dmw s SER 53 Cb -0.15 -2.24 0.03 0.00 0.10 0.00 0.00 66.02 63.76 2dmw s SER 53 CO 0.06 -0.77 -0.06 -2.28 0.98 0.00 0.00 173.24 171.16 2dmw s HIS 54 N 2.17 3.11 0.00 5.02 2.46 -0.94 -4.99 115.29 122.12 2dmw s HIS 54 Ca 0.10 -1.71 0.00 0.00 0.47 0.00 0.00 55.06 53.92 2dmw s HIS 54 Cb -0.21 -2.04 0.00 0.00 -0.13 0.00 0.00 32.58 30.19 2dmw s HIS 54 CO 0.10 -0.76 0.00 0.41 -2.47 0.00 0.00 174.74 172.01 2dmw n GLY 55 N 4.63 2.01 1.82 1.59 0.00 -1.26 -2.05 105.19 111.94 2dmw n GLY 55 Ca -0.16 -0.44 -0.15 0.00 0.00 0.00 0.00 46.02 45.28 2dmw n GLY 55 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dmw n ASN 56 N -0.99 6.04 -3.68 1.61 3.02 -1.26 -4.84 115.26 115.15 2dmw n ASN 56 Ca 0.00 -2.97 -0.15 0.00 -0.03 0.00 0.00 54.58 51.43 2dmw n ASN 56 Cb 0.00 -1.02 -0.08 0.00 -0.61 0.00 0.00 39.78 38.07 2dmw n ASN 56 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2dmw s TYR 57 N -1.64 -0.37 0.05 3.10 1.51 -0.87 -4.43 117.35 114.71 2dmw s TYR 57 Ca 0.28 0.67 -0.15 0.00 -1.01 0.00 0.00 57.07 56.86 2dmw s TYR 57 Cb 0.22 0.20 -0.06 0.00 -0.11 0.00 0.00 41.96 42.21 2dmw s TYR 57 CO 0.00 -0.43 0.47 -0.51 -1.11 0.00 0.00 175.55 173.97 2dmw s LEU 58 N -1.03 4.45 -0.45 -1.29 1.43 -0.25 -2.22 118.68 119.31 2dmw s LEU 58 Ca -0.11 1.03 0.04 0.00 -1.03 0.00 0.00 54.13 54.06 2dmw s LEU 58 Cb -0.03 -2.83 0.12 0.00 0.03 0.00 0.00 46.19 43.47 2dmw s LEU 58 CO 0.05 0.25 0.18 -0.36 0.23 0.00 0.00 176.35 176.71 2dmw s PHE 59 N -1.20 3.37 -0.30 0.29 0.40 0.19 -2.61 117.98 118.11 2dmw s PHE 59 Ca 0.29 -3.10 -0.14 0.00 -0.60 0.00 0.00 56.93 53.38 2dmw s PHE 59 Cb -0.17 -2.84 -0.03 0.00 0.51 0.00 0.00 43.02 40.49 2dmw s PHE 59 CO 0.16 -0.82 0.30 -1.01 0.70 0.00 0.00 175.22 174.56 2dmw s HIS 60 N 0.16 3.23 -0.09 0.36 3.76 -1.19 -1.35 115.29 120.16 2dmw s HIS 60 Ca 0.15 0.13 0.04 0.00 -0.15 0.00 0.00 55.06 55.22 2dmw s HIS 60 Cb -0.23 -2.54 -0.01 0.00 1.11 0.00 0.00 32.58 30.91 2dmw s HIS 60 CO -0.03 -0.29 -0.22 1.52 -0.85 0.00 0.00 174.74 174.87 2dmw s TYR 61 N 1.93 2.58 -0.16 1.40 -0.85 -1.26 -2.64 117.35 118.35 2dmw s TYR 61 Ca 0.11 -0.85 -0.01 0.00 -0.52 0.00 0.00 57.07 55.80 2dmw s TYR 61 Cb -0.16 -1.70 -0.01 0.00 0.38 0.00 0.00 41.96 40.47 2dmw s TYR 61 CO 0.11 -0.30 -0.12 0.42 -1.52 0.00 0.00 175.55 174.14 2dmw s ILE 62 N 0.15 3.03 -0.19 -3.49 1.01 -1.01 -3.88 121.20 116.82 2dmw s ILE 62 Ca -0.12 -0.65 -0.12 0.00 0.00 0.00 0.00 60.65 59.76 2dmw s ILE 62 Cb -0.16 -2.30 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 2dmw s ILE 62 CO 0.07 0.50 0.23 0.00 0.00 0.00 0.00 174.94 175.73 2dmw s GLN 64 N 0.60 0.62 -1.47 0.00 0.74 0.53 -4.50 119.66 116.18 2dmw s GLN 64 Ca 0.13 1.37 -0.12 0.00 0.05 0.00 0.00 55.36 56.79 2dmw s GLN 64 Cb -0.13 0.62 0.06 0.00 1.10 0.00 0.00 33.01 34.66 2dmw s GLN 64 CO 0.02 -0.18 1.07 -0.25 -0.55 0.00 0.00 175.29 175.40 2dmw n ASP 65 N 5.06 -5.42 -1.36 6.67 9.92 -1.26 -0.70 116.55 129.46 2dmw n ASP 65 Ca -0.15 -0.69 -0.13 0.00 -0.53 0.00 0.00 54.79 53.30 2dmw n ASP 65 Cb 0.52 -4.34 -0.02 0.00 -0.64 0.00 0.00 41.12 36.65 2dmw n ASP 65 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2dmw n ARG 66 N -4.82 -1.01 -4.93 -1.24 5.12 -1.26 -5.01 116.66 103.52 2dmw n ARG 66 Ca 0.03 0.73 -0.27 0.00 -1.93 0.00 0.00 57.85 56.40 2dmw n ARG 66 Cb 0.54 -4.91 -0.16 0.00 -1.16 0.00 0.00 32.46 26.77 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 -2.61 1.58 -0.13 0.55 -1.09 0.12 -3.98 121.20 115.64 2dmw s ILE 67 Ca 0.00 -0.79 -0.01 0.00 -2.23 0.00 0.00 60.65 57.62 2dmw s ILE 67 Cb 0.00 -1.36 -0.02 0.00 -1.58 0.00 0.00 42.46 39.51 2dmw s ILE 67 CO 0.00 0.45 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.36 2dmw s VAL 68 N 0.08 3.21 -0.46 2.92 1.01 -0.32 -0.35 120.40 126.49 2dmw s VAL 68 Ca -0.06 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 2dmw s VAL 68 Cb -0.13 -2.36 0.12 0.00 0.00 0.00 0.00 36.38 34.01 2dmw s VAL 68 CO 0.03 0.52 0.25 -0.31 0.00 0.00 0.00 175.10 175.59 2dmw s TYR 69 N 0.35 3.54 0.04 5.22 1.51 -0.45 -2.19 117.35 125.37 2dmw s TYR 69 Ca -0.10 -2.61 -0.10 0.00 -1.01 0.00 0.00 57.07 53.25 2dmw s TYR 69 Cb -0.16 -3.16 -0.05 0.00 -0.11 0.00 0.00 41.96 38.48 2dmw s TYR 69 CO 0.05 -0.92 0.36 -1.17 -1.11 0.00 0.00 175.55 172.76 2dmw s LEU 70 N 0.72 4.38 -0.14 -1.29 0.20 -1.23 -2.39 118.68 118.93 2dmw s LEU 70 Ca 0.11 0.75 -0.11 0.00 0.69 0.00 0.00 54.13 55.58 2dmw s LEU 70 Cb -0.22 -2.79 0.04 0.00 -0.43 0.00 0.00 46.19 42.79 2dmw s LEU 70 CO -0.04 0.23 0.35 0.00 -0.29 0.00 0.00 176.35 176.60 2dmw s ILE 72 N 0.60 5.29 0.17 0.00 1.09 -0.95 -3.16 121.20 124.24 2dmw s ILE 72 Ca -0.03 0.42 0.01 0.00 -1.10 0.00 0.00 60.65 59.95 2dmw s ILE 72 Cb -0.05 -3.60 -0.05 0.00 -1.06 0.00 0.00 42.46 37.71 2dmw s ILE 72 CO -0.04 0.31 0.01 0.42 -0.10 0.00 0.00 174.94 175.55 2dmw s THR 73 N 1.08 0.60 0.25 2.92 -4.23 -1.07 -3.35 115.64 111.84 2dmw s THR 73 Ca 0.13 -1.97 -0.30 0.00 -1.18 0.00 0.00 61.69 58.37 2dmw s THR 73 Cb -0.14 -2.11 -0.09 0.00 1.34 0.00 0.00 72.50 71.50 2dmw s THR 73 CO 0.05 -0.47 1.12 -0.62 -0.54 0.00 0.00 174.62 174.17 2dmw s ASP 74 N -3.16 7.22 0.27 3.99 2.15 -1.25 -1.09 116.67 124.81 2dmw s ASP 74 Ca 0.24 2.25 -0.01 0.00 0.43 0.00 0.00 52.55 55.45 2dmw s ASP 74 Cb 0.06 -2.62 0.61 0.00 -0.30 0.00 0.00 42.92 40.67 2dmw s ASP 74 CO 0.04 -0.21 1.64 -2.24 -0.17 0.00 0.00 175.17 174.23 2dmw h ASP 75 N 4.26 -0.13 -0.75 -0.34 3.04 -1.92 0.59 116.42 121.17 2dmw h ASP 75 Ca -0.46 0.20 0.07 0.00 -3.24 0.00 0.00 57.03 53.59 2dmw h ASP 75 Cb 1.21 0.30 -0.05 0.00 -1.04 0.00 0.00 39.33 39.75 2dmw h ASP 75 CO 0.69 -0.16 0.49 -0.78 -2.04 0.00 0.00 179.24 177.44 2dmw h ASP 76 N 0.17 0.70 -2.44 4.15 1.82 -1.94 -3.43 116.42 115.44 2dmw h ASP 76 Ca 0.50 0.00 -0.60 0.00 -0.39 0.00 0.00 57.03 56.54 2dmw h ASP 76 Cb 0.97 -0.15 0.15 0.00 0.68 0.00 0.00 39.33 40.98 2dmw h ASP 76 CO -0.66 0.45 -0.36 0.33 -1.61 0.00 0.00 179.24 177.38 2dmw n PHE 77 N -4.48 -0.40 -2.82 0.28 7.35 0.21 -4.93 117.46 112.66 2dmw n PHE 77 Ca 0.11 0.59 -0.33 0.00 -0.76 0.00 0.00 57.45 57.06 2dmw n PHE 77 Cb 0.23 -2.00 -0.06 0.00 0.35 0.00 0.00 39.48 37.99 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 -1.65 4.16 0.07 -4.13 2.56 -1.26 -4.95 118.70 113.51 2dmw s GLU 78 Ca 0.64 1.03 -0.18 0.00 0.00 0.00 0.00 54.97 56.46 2dmw s GLU 78 Cb -0.59 -2.21 -0.10 0.00 2.00 0.00 0.00 34.13 33.23 2dmw s GLU 78 CO 0.58 -0.03 1.43 0.00 -0.56 0.00 0.00 175.26 176.68 2dmw h ARG 79 N 1.85 0.49 0.04 4.30 2.47 -1.94 -2.92 114.38 118.67 2dmw h ARG 79 Ca -0.49 -0.22 0.02 0.00 -1.26 0.00 0.00 59.98 58.04 2dmw h ARG 79 Cb 1.18 -0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 29.43 2dmw h ARG 79 CO 0.62 0.77 -0.51 0.77 0.56 0.00 0.00 179.97 182.17 2dmw h SER 80 N 0.21 -1.56 -0.25 7.04 0.02 -1.98 0.36 113.55 117.39 2dmw h SER 80 Ca 0.05 0.17 0.06 0.00 -0.84 0.00 0.00 61.79 61.24 2dmw h SER 80 Cb 0.62 0.59 -0.08 0.00 0.14 0.00 0.00 62.40 63.68 2dmw h SER 80 CO 0.04 -0.52 -0.34 0.03 -1.14 0.00 0.00 176.83 174.90 2dmw h ARG 81 N -0.68 -0.33 0.05 3.45 -0.00 -1.98 0.54 114.38 115.42 2dmw h ARG 81 Ca 0.01 0.02 0.01 0.00 -0.50 0.00 0.00 59.98 59.53 2dmw h ARG 81 Cb 0.72 0.08 -0.03 0.00 0.00 0.00 0.00 29.97 30.74 2dmw h ARG 81 CO -0.33 -0.22 -0.31 0.00 0.00 0.00 0.00 179.97 179.11 2dmw h ALA 82 N 0.53 -0.80 -0.70 0.04 0.00 -1.25 -0.65 119.26 116.43 2dmw h ALA 82 Ca 0.13 -0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.12 2dmw h ALA 82 Cb 0.55 0.72 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 2dmw h ALA 82 CO -0.44 -0.88 0.47 0.74 0.00 0.00 0.00 179.25 179.14 2dmw h PHE 83 N -0.42 0.37 0.79 0.00 0.04 -0.68 -2.33 116.94 114.71 2dmw h PHE 83 Ca -0.00 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 2dmw h PHE 83 Cb 0.43 -0.12 0.01 0.00 2.20 0.00 0.00 35.95 38.47 2dmw h PHE 83 CO -0.40 0.15 -0.39 -0.97 -0.60 0.00 0.00 178.31 176.09 2dmw h ASN 84 N 0.32 -0.95 -0.57 2.17 -1.24 0.13 -1.46 115.58 113.99 2dmw h ASN 84 Ca 0.34 0.04 0.11 0.00 0.71 0.00 0.00 56.30 57.50 2dmw h ASN 84 Cb 0.87 0.25 -0.09 0.00 0.73 0.00 0.00 38.32 40.08 2dmw h ASN 84 CO -0.09 -0.66 0.03 0.15 -1.29 0.00 0.00 177.43 175.57 2dmw h PHE 85 N -1.08 0.01 -0.50 0.67 3.57 -0.77 -0.90 116.94 117.95 2dmw h PHE 85 Ca -0.11 0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.52 2dmw h PHE 85 Cb 0.83 0.08 -0.07 0.00 2.79 0.00 0.00 35.95 39.58 2dmw h PHE 85 CO 0.02 -0.12 0.07 -0.07 -2.23 0.00 0.00 178.31 175.98 2dmw h LEU 86 N 0.14 -0.07 -0.90 0.59 3.38 -1.35 -1.03 115.31 116.08 2dmw h LEU 86 Ca 0.29 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.37 2dmw h LEU 86 Cb 0.46 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 2dmw h LEU 86 CO -0.46 -0.01 0.59 -1.13 0.09 0.00 0.00 178.44 177.52 2dmw h ASN 87 N 0.19 1.04 0.11 -0.43 -0.73 -0.09 0.50 115.58 116.17 2dmw h ASN 87 Ca 0.25 -0.03 -0.00 0.00 1.87 0.00 0.00 56.30 58.38 2dmw h ASN 87 Cb 0.36 -0.26 -0.00 0.00 0.27 0.00 0.00 38.32 38.68 2dmw h ASN 87 CO -0.36 0.76 -0.09 -0.33 -0.37 0.00 0.00 177.43 177.05 2dmw h GLU 88 N 1.22 -0.19 -0.42 6.67 3.07 -0.13 -0.70 114.58 124.11 2dmw h GLU 88 Ca 0.33 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.18 2dmw h GLU 88 Cb -0.12 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 27.81 2dmw h GLU 88 CO -0.07 -0.13 0.17 -0.84 -1.40 0.00 0.00 179.01 176.75 2dmw h ILE 89 N -0.20 1.15 0.06 3.13 3.07 -1.39 -2.32 117.51 121.02 2dmw h ILE 89 Ca -0.01 -0.47 0.02 0.00 1.55 0.00 0.00 64.86 65.95 2dmw h ILE 89 Cb 0.16 0.65 -0.04 0.00 -0.27 0.00 0.00 36.82 37.33 2dmw h ILE 89 CO 0.00 0.18 -0.26 0.50 -1.05 0.00 0.00 178.15 177.52 2dmw h LYS 90 N 0.58 -0.43 -0.57 0.16 3.64 0.15 -1.22 116.57 118.89 2dmw h LYS 90 Ca 0.14 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 2dmw h LYS 90 Cb 0.10 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 2dmw h LYS 90 CO -0.02 -0.28 0.25 0.87 -2.27 0.00 0.00 179.45 178.00 2dmw h LYS 91 N -0.44 0.83 -0.90 1.90 1.79 -0.92 -2.20 116.57 116.63 2dmw h LYS 91 Ca 0.05 -0.14 0.16 0.00 -2.18 0.00 0.00 60.65 58.54 2dmw h LYS 91 Cb 0.50 -0.14 -0.07 0.00 -1.58 0.00 0.00 32.23 30.93 2dmw h LYS 91 CO -0.19 0.70 0.58 0.00 -1.08 0.00 0.00 179.45 179.46 2dmw h ARG 92 N 0.77 0.63 -0.10 3.15 3.08 -1.00 1.06 114.38 121.97 2dmw h ARG 92 Ca 0.19 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 60.06 2dmw h ARG 92 Cb 0.16 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.07 2dmw h ARG 92 CO -0.02 0.42 -0.48 0.35 -1.07 0.00 0.00 179.97 179.16 2dmw h PHE 93 N 0.65 0.69 0.00 3.04 3.57 -0.79 0.27 116.94 124.36 2dmw h PHE 93 Ca 0.46 -0.30 0.00 0.00 3.53 0.00 0.00 57.97 61.66 2dmw h PHE 93 Cb 0.81 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.44 2dmw h PHE 93 CO -0.00 1.07 0.00 1.96 -2.23 0.00 0.00 178.31 179.11 2dmw h GLN 94 N 0.11 0.00 0.04 1.11 4.20 -0.65 1.95 115.11 121.87 2dmw h GLN 94 Ca -0.03 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.34 2dmw h GLN 94 Cb 1.13 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.86 2dmw h GLN 94 CO 0.10 0.00 -2.03 2.41 -0.67 0.00 0.00 178.83 178.64 2dmw n THR 95 N -2.96 1.62 -0.05 -0.54 -1.04 0.36 -3.63 114.28 108.03 2dmw n THR 95 Ca 0.03 -0.73 -0.05 0.00 -2.04 0.00 0.00 64.05 61.26 2dmw n THR 95 Cb 0.41 -1.25 -0.02 0.00 -1.82 0.00 0.00 70.33 67.66 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 -3.18 0.93 -1.36 12.58 -1.04 0.93 -4.63 114.28 118.51 2dmw n THR 96 Ca -0.29 0.28 -0.26 0.00 -2.04 0.00 0.00 64.05 61.74 2dmw n THR 96 Cb 1.06 -2.04 0.13 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 -3.73 2.88 0.15 -1.42 4.01 0.73 -4.67 117.16 115.11 2dmw n TYR 97 Ca -0.08 -2.33 -0.07 0.00 -0.16 0.00 0.00 57.90 55.27 2dmw n TYR 97 Cb 0.30 -1.06 -0.03 0.00 -0.31 0.00 0.00 39.34 38.25 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 1.49 -0.45 -0.03 2.72 0.00 0.28 -2.30 103.07 104.78 2dmw h GLY 98 Ca 0.56 0.17 0.14 0.00 0.00 0.00 0.00 47.33 48.19 2dmw h GLY 98 CO 1.19 -0.16 0.07 1.76 0.00 0.00 0.00 176.54 179.40 2dmw h SER 99 N -0.89 -0.15 -0.41 0.19 0.02 -1.83 0.19 113.55 110.67 2dmw h SER 99 Ca -0.04 0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2dmw h SER 99 Cb 0.33 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 2dmw h SER 99 CO 0.07 -0.07 0.23 0.03 -1.14 0.00 0.00 176.83 175.94 2dmw h ARG 100 N 0.18 0.61 0.00 3.45 3.08 -1.89 -1.40 114.38 118.41 2dmw h ARG 100 Ca 0.35 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2dmw h ARG 100 Cb 0.57 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2dmw h ARG 100 CO -0.50 0.46 0.27 0.00 -1.07 0.00 0.00 179.97 179.13 2dmw h ALA 101 N 1.64 1.24 0.00 0.04 0.00 -0.01 1.16 119.26 123.33 2dmw h ALA 101 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.82 2dmw h ALA 101 Cb 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2dmw h ALA 101 CO -0.02 -0.24 -2.19 1.04 0.00 0.00 0.00 179.25 177.83 2dmw n GLN 102 N -2.60 0.84 -0.02 0.00 1.13 -0.54 -4.80 117.38 111.39 2dmw n GLN 102 Ca -0.02 -0.06 -0.03 0.00 -1.94 0.00 0.00 57.00 54.96 2dmw n GLN 102 Cb 0.31 -1.48 -0.01 0.00 0.11 0.00 0.00 30.24 29.17 2dmw n GLN 102 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2dmw n THR 103 N -2.56 0.62 -1.00 5.09 -2.24 0.62 -5.03 114.28 109.77 2dmw n THR 103 Ca -0.23 0.28 -0.34 0.00 -2.27 0.00 0.00 64.05 61.49 2dmw n THR 103 Cb 0.95 -1.65 -0.02 0.00 -2.10 0.00 0.00 70.33 67.52 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 -3.21 -2.43 -1.16 6.98 0.00 0.37 -4.90 120.51 116.16 2dmw n ALA 104 Ca -0.04 0.25 -0.29 0.00 0.00 0.00 0.00 53.44 53.37 2dmw n ALA 104 Cb 0.15 -1.15 0.18 0.00 0.00 0.00 0.00 19.45 18.62 2dmw n ALA 104 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2dmw s PRO 105 N -0.73 0.31 0.44 0.00 0.04 -1.26 -4.78 135.00 129.02 2dmw s PRO 105 Ca 0.46 0.48 -0.24 0.00 0.04 0.00 0.00 61.00 61.74 2dmw s PRO 105 Cb -0.62 -1.73 -0.08 0.00 0.04 0.00 0.00 34.50 32.12 2dmw s PRO 105 CO 0.42 -2.80 1.17 -1.25 0.04 0.00 0.00 177.00 174.58 2dmw s PRO 106 N -4.97 3.83 -1.43 0.56 0.04 -1.26 -3.35 135.00 128.42 2dmw s PRO 106 Ca 0.66 1.80 -0.11 0.00 0.04 0.00 0.00 61.00 63.39 2dmw s PRO 106 Cb -0.19 -2.48 0.04 0.00 0.04 0.00 0.00 34.50 31.91 2dmw s PRO 106 CO 0.58 -0.50 1.09 0.66 0.04 0.00 0.00 177.00 178.87 2dmw n TYR 107 N -0.34 -2.64 0.00 0.56 4.01 -0.98 -4.93 117.16 112.84 2dmw n TYR 107 Ca 0.06 0.96 0.00 0.00 -0.16 0.00 0.00 57.90 58.76 2dmw n TYR 107 Cb 0.47 -4.62 0.00 0.00 -0.31 0.00 0.00 39.34 34.89 2dmw n TYR 107 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2dmw n ALA 108 N -4.83 0.00 -0.91 -0.72 0.00 -1.20 -4.51 120.51 108.34 2dmw n ALA 108 Ca 0.02 -0.17 -0.11 0.00 0.00 0.00 0.00 53.44 53.18 2dmw n ALA 108 Cb 0.55 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.93 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 -2.30 1.72 -0.00 0.00 2.81 -1.26 -4.40 117.12 113.69 2dmw n MET 109 Ca 0.00 -1.00 -0.10 0.00 -1.81 0.00 0.00 57.70 54.79 2dmw n MET 109 Cb 0.00 -1.65 -0.08 0.00 -0.71 0.00 0.00 33.22 30.78 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 2.14 -0.09 0.39 7.83 -0.73 -1.79 -2.84 115.58 120.48 2dmw h ASN 110 Ca 0.18 -0.47 -0.00 0.00 1.87 0.00 0.00 56.30 57.88 2dmw h ASN 110 Cb 1.13 0.02 -0.03 0.00 0.27 0.00 0.00 38.32 39.72 2dmw h ASN 110 CO 0.35 0.57 -0.48 -1.28 -0.37 0.00 0.00 177.43 176.22 2dmw h SER 111 N -0.91 -1.35 -0.30 1.15 0.87 -1.93 0.73 113.55 111.81 2dmw h SER 111 Ca -0.01 0.12 0.07 0.00 -1.23 0.00 0.00 61.79 60.73 2dmw h SER 111 Cb 0.56 0.46 -0.08 0.00 -0.44 0.00 0.00 62.40 62.90 2dmw h SER 111 CO 0.02 -0.61 -0.34 -0.08 -0.53 0.00 0.00 176.83 175.29 2dmw h GLU 112 N -0.90 -0.31 -0.21 2.24 4.81 -1.89 0.62 114.58 118.93 2dmw h GLU 112 Ca -0.04 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2dmw h GLU 112 Cb 0.82 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 2dmw h GLU 112 CO -0.12 -0.21 0.03 0.35 -0.73 0.00 0.00 179.01 178.33 2dmw h PHE 113 N -0.32 0.31 -0.73 0.92 3.57 -1.28 -2.37 116.94 117.04 2dmw h PHE 113 Ca 0.14 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.67 2dmw h PHE 113 Cb 0.55 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 2dmw h PHE 113 CO -0.50 0.30 0.44 1.03 -2.23 0.00 0.00 178.31 177.35 2dmw h SER 114 N 0.30 0.70 -0.05 0.41 0.87 0.28 0.17 113.55 116.23 2dmw h SER 114 Ca 0.07 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.60 2dmw h SER 114 Cb 0.17 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2dmw h SER 114 CO 0.00 0.47 -0.13 0.77 -0.53 0.00 0.00 176.83 177.41 2dmw h SER 115 N 0.84 0.20 -0.16 6.23 4.64 -0.90 -2.28 113.55 122.12 2dmw h SER 115 Ca 0.31 -0.59 0.03 0.00 -0.47 0.00 0.00 61.79 61.07 2dmw h SER 115 Cb 0.10 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.10 2dmw h SER 115 CO -0.14 0.75 -0.04 0.58 -0.87 0.00 0.00 176.83 177.11 2dmw h VAL 116 N -0.34 0.85 -0.04 0.95 2.07 -1.20 -2.33 116.25 116.21 2dmw h VAL 116 Ca -0.00 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 2dmw h VAL 116 Cb 0.72 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2dmw h VAL 116 CO 0.03 0.00 -0.02 -0.07 0.02 0.00 0.00 177.57 177.53 2dmw h LEU 117 N 0.00 -0.06 -0.68 2.57 3.38 -0.75 -2.13 115.31 117.65 2dmw h LEU 117 Ca 0.07 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.20 2dmw h LEU 117 Cb 0.11 0.03 -0.12 0.00 0.09 0.00 0.00 40.66 40.77 2dmw h LEU 117 CO -0.16 -0.03 -0.09 0.00 0.09 0.00 0.00 178.44 178.26 2dmw h ALA 118 N 1.02 0.57 -0.83 1.53 0.00 -1.14 0.20 119.26 120.60 2dmw h ALA 118 Ca 0.02 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2dmw h ALA 118 Cb 0.05 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2dmw h ALA 118 CO -0.05 -0.42 0.44 0.00 0.00 0.00 0.00 179.25 179.22 2dmw h ALA 119 N 1.65 1.06 0.05 0.00 0.00 -1.13 -2.11 119.26 118.79 2dmw h ALA 119 Ca 0.34 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2dmw h ALA 119 Cb 0.56 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2dmw h ALA 119 CO -0.65 0.58 -0.03 1.96 0.00 0.00 0.00 179.25 181.12 2dmw h GLN 120 N 1.15 -0.07 0.31 0.00 1.08 -0.13 0.25 115.11 117.70 2dmw h GLN 120 Ca 0.29 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.50 2dmw h GLN 120 Cb 0.05 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.46 2dmw h GLN 120 CO -0.04 0.11 -0.46 -0.07 -0.95 0.00 0.00 178.83 177.42 2dmw h LEU 121 N -0.24 -1.29 0.03 1.46 3.38 -0.60 0.23 115.31 118.27 2dmw h LEU 121 Ca -0.01 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2dmw h LEU 121 Cb 0.21 0.45 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2dmw h LEU 121 CO 0.01 -0.57 -0.04 0.50 0.09 0.00 0.00 178.44 178.44 2dmw h LYS 122 N -0.82 -0.08 0.00 1.13 3.64 -1.40 0.04 116.57 119.08 2dmw h LYS 122 Ca -0.02 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2dmw h LYS 122 Cb 0.77 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 2dmw h LYS 122 CO -0.15 -0.05 0.00 0.72 -2.27 0.00 0.00 179.45 177.70 2dmw n HIS 123 N -5.14 0.00 -0.24 1.91 8.25 0.86 -2.62 115.22 118.24 2dmw n HIS 123 Ca -0.07 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.40 2dmw n HIS 123 Cb 0.07 -0.46 0.09 0.00 1.12 0.00 0.00 29.99 30.81 2dmw n HIS 123 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2dmw h HIS 124 N 0.00 -0.32 -3.64 4.41 3.86 -0.59 -3.32 115.15 115.55 2dmw h HIS 124 Ca 0.00 0.06 -0.69 0.00 -1.16 0.00 0.00 60.37 58.58 2dmw h HIS 124 Cb 0.00 0.25 -0.33 0.00 1.06 0.00 0.00 27.41 28.39 2dmw h HIS 124 CO -0.14 -0.29 -0.62 -1.12 0.86 0.00 0.00 177.93 176.62 2dmw s SER 125 N -5.23 5.12 -0.22 2.45 0.01 -0.00 -5.06 113.70 110.76 2dmw s SER 125 Ca -0.14 -1.55 -0.39 0.00 1.31 0.00 0.00 55.95 55.17 2dmw s SER 125 Cb 0.21 -1.79 -0.18 0.00 0.21 0.00 0.00 66.02 64.47 2dmw s SER 125 CO 0.74 -0.39 1.20 -1.20 0.41 0.00 0.00 173.24 174.01 2dmw n SER 126 N 4.65 0.53 -3.95 2.44 7.64 -1.08 -4.12 113.62 119.73 2dmw n SER 126 Ca -0.09 1.06 -0.40 0.00 1.01 0.00 0.00 58.87 60.46 2dmw n SER 126 Cb 0.43 -0.81 -0.01 0.00 -1.01 0.00 0.00 64.21 62.81 2dmw n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmw n GLY 127 N 2.46 -2.31 3.77 0.23 0.00 -1.24 -4.89 105.19 103.21 2dmw n GLY 127 Ca 0.23 0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.91 2.74 -1.37 1.61 0.04 -1.26 -3.74 135.00 132.10 2dmw s PRO 128 Ca 0.55 1.36 -0.04 0.00 0.04 0.00 0.00 61.00 62.91 2dmw s PRO 128 Cb -0.64 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 31.98 2dmw s PRO 128 CO 0.56 -1.29 0.82 0.43 0.04 0.00 0.00 177.00 177.56 2dmw n SER 129 N -2.55 -2.50 -4.20 6.66 7.64 -1.26 -4.99 113.62 112.41 2dmw n SER 129 Ca 0.10 -0.78 -0.12 0.00 1.01 0.00 0.00 58.87 59.08 2dmw n SER 129 Cb 0.52 -4.13 -0.10 0.00 -1.01 0.00 0.00 64.21 59.49 2dmw n SER 129 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dmw s SER 130 N -4.02 1.44 0.00 6.43 0.01 -1.25 -5.29 113.70 111.02 2dmw s SER 130 Ca 0.22 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.49 2dmw s SER 130 Cb -0.11 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.17 2dmw s SER 130 CO 0.81 -0.39 0.51 0.61 0.41 0.00 0.00 173.24 175.19