#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wyl n LYS 3 N 0.00 0.71 0.00 4.33 5.02 -1.26 -3.40 118.16 123.56 2wyl n LYS 3 Ca 0.00 0.27 0.05 0.00 -2.02 0.00 0.00 58.31 56.61 2wyl n LYS 3 Cb 0.00 -1.73 0.26 0.00 -0.02 0.00 0.00 35.03 33.53 2wyl n LYS 3 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2wyl n VAL 4 N -3.30 0.94 -0.00 -0.18 0.24 -1.26 -1.98 118.33 112.79 2wyl n VAL 4 Ca -0.27 0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 2wyl n VAL 4 Cb 1.05 -1.05 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 2wyl n VAL 4 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2wyl n LYS 5 N -1.37 1.16 0.17 7.34 4.01 -1.26 -4.66 118.16 123.54 2wyl n LYS 5 Ca 0.04 -0.01 0.12 0.00 -0.51 0.00 0.00 58.31 57.95 2wyl n LYS 5 Cb 0.10 -1.05 0.14 0.00 -0.51 0.00 0.00 35.03 33.71 2wyl n LYS 5 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2wyl h SER 6 N 0.00 0.00 -3.43 4.39 4.64 -1.52 -3.45 113.55 114.17 2wyl h SER 6 Ca -0.02 -0.01 -0.54 0.00 -0.47 0.00 0.00 61.79 60.75 2wyl h SER 6 Cb 0.41 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.47 2wyl h SER 6 CO 0.00 0.01 0.29 -0.63 -0.87 0.00 0.00 176.83 175.63 2wyl s ILE 7 N -3.25 4.81 0.36 0.95 1.01 -0.84 -5.07 121.20 119.18 2wyl s ILE 7 Ca 0.05 1.90 0.09 0.00 0.00 0.00 0.00 60.65 62.69 2wyl s ILE 7 Cb 0.07 -4.25 -0.07 0.00 0.01 0.00 0.00 42.46 38.23 2wyl s ILE 7 CO 0.70 0.23 -0.05 0.28 0.00 0.00 0.00 174.94 176.10 2wyl s THR 8 N 0.65 2.25 0.25 2.92 -1.32 -1.26 -4.99 115.64 114.15 2wyl s THR 8 Ca 0.47 -2.12 -0.03 0.00 -1.21 0.00 0.00 61.69 58.80 2wyl s THR 8 Cb -0.21 -2.75 0.22 0.00 -1.51 0.00 0.00 72.50 68.26 2wyl s THR 8 CO 0.26 -0.16 1.77 -0.09 -2.21 0.00 0.00 174.62 174.19 2wyl h ARG 9 N 1.93 0.60 -0.58 7.08 2.43 -2.00 -1.94 114.38 121.90 2wyl h ARG 9 Ca -0.43 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 58.62 2wyl h ARG 9 Cb 1.25 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 2wyl h ARG 9 CO 0.72 0.40 0.01 0.93 -1.51 0.00 0.00 179.97 180.51 2wyl h GLU 10 N 0.62 1.00 -0.23 0.20 3.07 -1.99 -2.13 114.58 115.12 2wyl h GLU 10 Ca 0.43 -0.30 -0.08 0.00 -0.50 0.00 0.00 59.36 58.90 2wyl h GLU 10 Cb 0.56 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 2wyl h GLU 10 CO -0.34 0.97 -0.23 0.66 -1.40 0.00 0.00 179.01 178.68 2wyl h SER 11 N 0.92 0.41 0.30 1.42 4.64 -1.78 -1.61 113.55 117.86 2wyl h SER 11 Ca 0.17 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 2wyl h SER 11 Cb 0.52 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2wyl h SER 11 CO 0.03 0.64 -0.15 -0.25 -0.87 0.00 0.00 176.83 176.23 2wyl h TRP 12 N 0.37 -0.38 -0.07 4.77 7.01 -1.22 -3.18 115.95 123.26 2wyl h TRP 12 Ca 0.06 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.09 2wyl h TRP 12 Cb 0.60 0.13 -0.05 0.00 -2.10 0.00 0.00 29.16 27.74 2wyl h TRP 12 CO 0.02 -0.03 -0.21 0.82 -2.79 0.00 0.00 178.44 176.25 2wyl h ILE 13 N -0.86 0.49 0.00 2.65 2.04 -1.34 -2.49 117.51 118.00 2wyl h ILE 13 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.82 2wyl h ILE 13 Cb 0.52 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2wyl h ILE 13 CO 0.07 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.40 2wyl n LEU 14 N -5.34 0.00 -0.19 1.44 4.77 -0.61 -1.62 117.00 115.45 2wyl n LEU 14 Ca -0.04 0.17 0.04 0.00 -0.03 0.00 0.00 56.01 56.16 2wyl n LEU 14 Cb 0.26 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2wyl n LEU 14 CO 0.21 -0.07 0.19 -1.54 -1.33 0.00 0.00 177.39 174.86 2wyl n SER 15 N -1.17 1.09 -0.04 -1.43 3.41 -1.03 -4.71 113.62 109.74 2wyl n SER 15 Ca 0.11 -1.04 -0.05 0.00 -0.26 0.00 0.00 58.87 57.63 2wyl n SER 15 Cb 0.12 0.48 -0.06 0.00 -0.26 0.00 0.00 64.21 64.49 2wyl n SER 15 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2wyl n THR 16 N -0.31 0.56 -4.37 6.66 -1.04 -0.79 -5.06 114.28 109.92 2wyl n THR 16 Ca 0.03 -0.30 -0.31 0.00 -2.04 0.00 0.00 64.05 61.43 2wyl n THR 16 Cb 0.18 -0.81 -0.10 0.00 -1.82 0.00 0.00 70.33 67.78 2wyl n THR 16 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2wyl s PHE 17 N -2.20 2.85 0.77 -1.42 0.40 -0.64 -3.92 117.98 113.84 2wyl s PHE 17 Ca -0.07 -0.07 -0.11 0.00 -0.60 0.00 0.00 56.93 56.08 2wyl s PHE 17 Cb 0.03 -1.55 0.06 0.00 0.51 0.00 0.00 43.02 42.07 2wyl s PHE 17 CO 0.30 0.39 1.10 -1.25 0.70 0.00 0.00 175.22 176.46 2wyl s PRO 18 N -1.72 2.17 0.25 0.24 0.04 -1.26 -4.83 135.00 129.89 2wyl s PRO 18 Ca 0.19 1.25 -0.04 0.00 0.04 0.00 0.00 61.00 62.45 2wyl s PRO 18 Cb -0.11 -1.88 0.44 0.00 0.04 0.00 0.00 34.50 32.99 2wyl s PRO 18 CO 0.10 -1.72 1.77 0.93 0.04 0.00 0.00 177.00 178.13 2wyl h GLU 19 N -1.06 0.61 -0.01 4.56 3.07 -1.68 -2.49 114.58 117.59 2wyl h GLU 19 Ca -0.44 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 2wyl h GLU 19 Cb 1.24 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 2wyl h GLU 19 CO 0.50 0.41 -0.35 0.91 -1.40 0.00 0.00 179.01 179.08 2wyl n TRP 20 N -4.86 0.00 0.00 4.33 7.02 -1.05 -5.02 117.44 117.86 2wyl n TRP 20 Ca 0.14 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.62 2wyl n TRP 20 Cb 0.35 -0.11 0.00 0.00 -2.42 0.00 0.00 31.31 29.13 2wyl n TRP 20 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2wyl n GLY 21 N 1.38 4.01 0.08 6.99 0.00 -0.94 -2.15 105.19 114.55 2wyl n GLY 21 Ca 0.11 0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.27 2wyl n GLY 21 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wyl n SER 22 N 8.12 2.36 -0.09 1.61 3.41 -1.26 -3.57 113.62 124.20 2wyl n SER 22 Ca 0.00 -3.08 -0.06 0.00 -0.26 0.00 0.00 58.87 55.46 2wyl n SER 22 Cb 0.00 -0.43 0.01 0.00 -0.26 0.00 0.00 64.21 63.53 2wyl n SER 22 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 2wyl h TRP 23 N 0.01 0.01 0.01 7.33 2.91 -1.75 0.19 115.95 124.67 2wyl h TRP 23 Ca 0.00 0.02 -0.20 0.00 1.13 0.00 0.00 58.89 59.84 2wyl h TRP 23 Cb 1.00 0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 29.68 2wyl h TRP 23 CO 0.00 -0.04 -0.90 1.25 -1.03 0.00 0.00 178.44 177.72 2wyl h LEU 24 N 0.11 0.17 -0.77 0.65 5.85 -1.80 -1.15 115.31 118.37 2wyl h LEU 24 Ca 0.15 -0.15 0.08 0.00 0.84 0.00 0.00 57.88 58.81 2wyl h LEU 24 Cb 0.20 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.11 2wyl h LEU 24 CO -0.24 0.98 0.43 0.78 -0.34 0.00 0.00 178.44 180.05 2wyl h ASN 25 N 0.06 0.61 -0.14 1.25 4.21 -1.73 -1.01 115.58 118.84 2wyl h ASN 25 Ca -0.04 0.04 -0.08 0.00 1.21 0.00 0.00 56.30 57.44 2wyl h ASN 25 Cb 1.56 -0.07 -0.00 0.00 -1.12 0.00 0.00 38.32 38.68 2wyl h ASN 25 CO 0.13 0.36 -0.21 -0.33 -1.29 0.00 0.00 177.43 176.09 2wyl h GLU 26 N 0.74 0.38 -0.41 0.81 5.08 -0.85 -2.74 114.58 117.59 2wyl h GLU 26 Ca 0.37 -0.23 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 2wyl h GLU 26 Cb 0.31 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 2wyl h GLU 26 CO -0.23 0.81 0.16 1.49 -1.00 0.00 0.00 179.01 180.24 2wyl h GLU 27 N -0.01 0.33 -0.71 2.33 4.81 -0.96 0.19 114.58 120.56 2wyl h GLU 27 Ca 0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2wyl h GLU 27 Cb 0.78 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 2wyl h GLU 27 CO 0.05 0.22 0.45 0.82 -0.73 0.00 0.00 179.01 179.81 2wyl h ILE 28 N 0.34 1.19 -0.90 2.32 2.04 -1.26 -1.82 117.51 119.42 2wyl h ILE 28 Ca 0.19 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 2wyl h ILE 28 Cb 0.15 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.37 2wyl h ILE 28 CO -0.17 0.19 0.49 -0.08 0.00 0.00 0.00 178.15 178.58 2wyl h GLU 29 N 0.96 1.25 -0.00 2.37 4.81 -1.06 -2.99 114.58 119.93 2wyl h GLU 29 Ca 0.26 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2wyl h GLU 29 Cb -0.07 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.06 2wyl h GLU 29 CO -0.05 0.91 -0.24 1.04 -0.73 0.00 0.00 179.01 179.94 2wyl n GLN 30 N -4.33 0.02 -2.25 1.92 1.13 -0.01 -4.88 117.38 108.97 2wyl n GLN 30 Ca 0.10 -0.01 -0.43 0.00 -1.94 0.00 0.00 57.00 54.72 2wyl n GLN 30 Cb 0.10 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 28.92 2wyl n GLN 30 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2wyl s GLU 31 N -2.99 4.22 -0.48 -1.09 2.56 -0.71 -4.98 118.70 115.22 2wyl s GLU 31 Ca 0.13 1.88 -0.16 0.00 0.00 0.00 0.00 54.97 56.81 2wyl s GLU 31 Cb 0.18 -3.84 0.07 0.00 2.00 0.00 0.00 34.13 32.55 2wyl s GLU 31 CO 0.61 -0.75 0.46 -0.65 -0.56 0.00 0.00 175.26 174.37 2wyl s GLN 32 N 3.63 3.02 -0.43 4.30 -0.21 -1.26 -5.04 119.66 123.67 2wyl s GLN 32 Ca 0.62 -1.24 -0.28 0.00 0.02 0.00 0.00 55.36 54.48 2wyl s GLN 32 Cb -0.27 -4.13 0.02 0.00 1.00 0.00 0.00 33.01 29.64 2wyl s GLN 32 CO 0.21 -1.09 1.08 0.08 -2.12 0.00 0.00 175.29 173.45 2wyl s VAL 33 N 1.91 4.34 0.66 1.09 1.01 -1.26 -5.01 120.40 123.14 2wyl s VAL 33 Ca 0.07 1.31 -0.18 0.00 0.00 0.00 0.00 61.98 63.18 2wyl s VAL 33 Cb -0.23 -4.52 -0.00 0.00 0.00 0.00 0.00 36.38 31.63 2wyl s VAL 33 CO 0.08 -0.82 1.29 0.00 0.00 0.00 0.00 175.10 175.66 2wyl s ALA 34 N 4.10 2.34 0.47 5.51 0.00 -1.26 -4.49 121.76 128.43 2wyl s ALA 34 Ca 0.45 1.20 -0.24 0.00 0.00 0.00 0.00 51.96 53.38 2wyl s ALA 34 Cb -0.09 -3.55 -0.08 0.00 0.00 0.00 0.00 23.12 19.39 2wyl s ALA 34 CO 0.26 -1.65 1.22 -2.30 0.00 0.00 0.00 175.76 173.29 2wyl n PRO 35 N -2.00 1.67 -0.99 0.00 -0.02 -1.26 -2.53 135.00 129.87 2wyl n PRO 35 Ca 0.16 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2wyl n PRO 35 Cb 0.48 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 2wyl n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wyl n GLY 36 N 0.91 0.41 3.34 -1.23 0.00 -1.26 -5.01 105.19 102.34 2wyl n GLY 36 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 2wyl n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wyl s THR 37 N -1.85 0.81 0.03 2.61 -4.23 -1.05 -4.57 115.64 107.40 2wyl s THR 37 Ca 0.00 -2.01 -0.02 0.00 -1.18 0.00 0.00 61.69 58.49 2wyl s THR 37 Cb 0.00 -2.55 -0.02 0.00 1.34 0.00 0.00 72.50 71.27 2wyl s THR 37 CO 0.00 -0.13 0.00 0.72 -0.54 0.00 0.00 174.62 174.67 2wyl s PHE 38 N -3.57 0.32 0.47 3.99 -0.71 -0.96 -4.06 117.98 113.46 2wyl s PHE 38 Ca 0.34 -0.67 0.04 0.00 -1.04 0.00 0.00 56.93 55.60 2wyl s PHE 38 Cb 0.07 -0.23 -0.03 0.00 -1.21 0.00 0.00 43.02 41.62 2wyl s PHE 38 CO 0.12 -0.29 0.08 0.00 -1.34 0.00 0.00 175.22 173.79 2wyl s ALA 39 N -2.42 3.80 -0.24 1.99 0.00 -0.81 -1.91 121.76 122.17 2wyl s ALA 39 Ca -0.07 -1.31 -0.25 0.00 0.00 0.00 0.00 51.96 50.33 2wyl s ALA 39 Cb -0.03 -0.09 0.07 0.00 0.00 0.00 0.00 23.12 23.07 2wyl s ALA 39 CO -0.04 -0.12 0.70 -1.58 0.00 0.00 0.00 175.76 174.72 2wyl s TRP 41 N -2.77 -0.76 -0.21 0.00 0.51 -0.63 -0.94 118.94 114.14 2wyl s TRP 41 Ca 0.23 1.81 -0.24 0.00 -2.12 0.00 0.00 56.10 55.79 2wyl s TRP 41 Cb 0.04 0.28 -0.01 0.00 -0.81 0.00 0.00 33.47 32.96 2wyl s TRP 41 CO 0.13 -0.40 0.78 -0.46 -0.51 0.00 0.00 176.95 176.48 2wyl s TRP 42 N 0.22 3.36 -1.21 -1.98 -0.00 -0.84 -2.34 118.94 116.15 2wyl s TRP 42 Ca -0.01 1.11 0.18 0.00 -0.00 0.00 0.00 56.10 57.38 2wyl s TRP 42 Cb -0.04 -2.97 0.60 0.00 -0.00 0.00 0.00 33.47 31.06 2wyl s TRP 42 CO 0.02 -0.29 1.51 1.28 -0.00 0.00 0.00 176.95 179.47 2wyl n LEU 43 N 5.51 4.12 0.00 5.86 4.77 0.32 0.25 117.00 137.82 2wyl n LEU 43 Ca 0.03 -2.30 0.00 0.00 -0.03 0.00 0.00 56.01 53.72 2wyl n LEU 43 Cb 0.48 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2wyl n LEU 43 CO 0.47 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 177.96 2wyl n GLY 44 N 0.98 0.66 7.00 -0.72 0.00 -1.26 -4.76 105.19 107.09 2wyl n GLY 44 Ca 0.22 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.66 2wyl n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wyl n THR 46 N 0.00 1.11 -2.30 0.00 -2.24 -1.26 -1.46 114.28 108.12 2wyl n THR 46 Ca 0.00 -1.07 -0.42 0.00 -2.27 0.00 0.00 64.05 60.29 2wyl n THR 46 Cb 0.00 0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 68.64 2wyl n THR 46 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2wyl s GLY 47 N -1.07 1.94 -0.05 3.38 0.00 0.06 -4.58 107.32 106.99 2wyl s GLY 47 Ca 0.26 0.79 0.00 0.00 0.00 0.00 0.00 44.72 45.77 2wyl s GLY 47 CO 0.16 2.41 -0.02 -0.42 0.00 0.00 0.00 173.10 175.23 2wyl s ILE 48 N 2.34 0.44 -0.11 0.90 -1.09 0.26 -0.52 121.20 123.42 2wyl s ILE 48 Ca 0.61 -0.01 -0.16 0.00 -2.23 0.00 0.00 60.65 58.85 2wyl s ILE 48 Cb -0.29 -0.52 -0.05 0.00 -1.58 0.00 0.00 42.46 40.02 2wyl s ILE 48 CO 0.25 0.23 0.41 0.86 -1.23 0.00 0.00 174.94 175.45 2wyl s TRP 49 N 1.30 3.54 -0.06 3.97 -0.11 -0.99 -0.94 118.94 125.64 2wyl s TRP 49 Ca -0.05 0.82 0.04 0.00 1.22 0.00 0.00 56.10 58.13 2wyl s TRP 49 Cb -0.13 -2.43 -0.00 0.00 -1.50 0.00 0.00 33.47 29.40 2wyl s TRP 49 CO -0.02 0.28 -0.20 -1.17 -4.62 0.00 0.00 176.95 171.23 2wyl s LEU 50 N 0.24 1.94 -0.17 5.86 2.96 0.14 -1.60 118.68 128.06 2wyl s LEU 50 Ca 0.23 -0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 2wyl s LEU 50 Cb -0.15 -1.13 0.05 0.00 0.50 0.00 0.00 46.19 45.46 2wyl s LEU 50 CO 0.09 0.15 -0.03 -0.75 -1.32 0.00 0.00 176.35 174.49 2wyl s LYS 51 N 0.18 1.19 0.95 1.98 2.20 -0.12 -0.27 119.74 125.85 2wyl s LYS 51 Ca -0.09 -0.47 -0.15 0.00 -0.36 0.00 0.00 55.97 54.90 2wyl s LYS 51 Cb -0.14 -1.97 0.17 0.00 -1.51 0.00 0.00 37.83 34.38 2wyl s LYS 51 CO 0.04 -0.48 1.23 -1.54 -0.36 0.00 0.00 175.35 174.24 2wyl s SER 52 N 1.70 3.17 0.43 1.43 1.04 -0.85 -1.92 113.70 118.71 2wyl s SER 52 Ca 0.00 0.56 0.20 0.00 0.48 0.00 0.00 55.95 57.20 2wyl s SER 52 Cb -0.16 -0.83 0.99 0.00 0.10 0.00 0.00 66.02 66.12 2wyl s SER 52 CO -0.07 -2.72 1.89 1.05 0.98 0.00 0.00 173.24 174.37 2wyl h GLU 53 N -1.63 0.00 0.00 4.02 4.11 -1.79 -2.43 114.58 116.87 2wyl h GLU 53 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2wyl h GLU 53 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2wyl h GLU 53 CO 0.48 0.27 0.00 0.41 0.07 0.00 0.00 179.01 180.24 2wyl n GLY 54 N -0.34 -1.27 0.30 1.06 0.00 -1.26 -4.75 105.19 98.94 2wyl n GLY 54 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2wyl n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wyl n GLY 55 N 0.76 0.90 3.69 -0.02 0.00 -0.91 -5.06 105.19 104.54 2wyl n GLY 55 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2wyl n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wyl s THR 56 N -2.02 3.87 -0.25 2.61 2.01 -1.26 -4.84 115.64 115.76 2wyl s THR 56 Ca 0.00 1.25 -0.08 0.00 0.31 0.00 0.00 61.69 63.17 2wyl s THR 56 Cb 0.00 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 2wyl s THR 56 CO 0.00 0.01 0.09 0.20 -0.69 0.00 0.00 174.62 174.22 2wyl s ASN 57 N 1.69 5.29 -0.04 3.53 0.01 -1.26 -2.00 114.94 122.16 2wyl s ASN 57 Ca 0.61 -0.16 0.04 0.00 -0.71 0.00 0.00 52.86 52.65 2wyl s ASN 57 Cb -0.29 -1.95 -0.00 0.00 0.41 0.00 0.00 41.25 39.41 2wyl s ASN 57 CO 0.25 -0.02 -0.17 -0.69 -1.51 0.00 0.00 177.10 174.96 2wyl s VAL 58 N 1.55 1.41 -0.17 1.60 1.01 0.62 -0.46 120.40 125.96 2wyl s VAL 58 Ca 0.06 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2wyl s VAL 58 Cb -0.15 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.05 2wyl s VAL 58 CO 0.05 0.40 -0.19 0.00 0.00 0.00 0.00 175.10 175.36 2wyl s VAL 60 N 1.32 1.48 -1.72 0.00 0.11 -0.12 -0.03 120.40 121.44 2wyl s VAL 60 Ca 0.05 -0.66 -0.00 0.00 -2.93 0.00 0.00 61.98 58.43 2wyl s VAL 60 Cb -0.13 -1.33 0.00 0.00 -1.53 0.00 0.00 36.38 33.39 2wyl s VAL 60 CO -0.13 0.43 0.03 0.47 -3.33 0.00 0.00 175.10 172.58 2wyl n ASP 61 N 3.88 -5.79 -4.62 3.54 9.92 -0.62 -0.58 116.55 122.28 2wyl n ASP 61 Ca -0.21 -0.03 -0.43 0.00 -0.53 0.00 0.00 54.79 53.59 2wyl n ASP 61 Cb 0.52 -4.80 -0.02 0.00 -0.64 0.00 0.00 41.12 36.17 2wyl n ASP 61 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2wyl s PHE 62 N -3.02 2.26 -0.10 1.24 5.36 -1.26 -3.16 117.98 119.31 2wyl s PHE 62 Ca 0.01 0.66 0.04 0.00 -0.96 0.00 0.00 56.93 56.69 2wyl s PHE 62 Cb -0.01 -4.06 -0.00 0.00 -0.34 0.00 0.00 43.02 38.61 2wyl s PHE 62 CO 0.02 -2.44 -0.24 -0.46 -1.46 0.00 0.00 175.22 170.64 2wyl s TRP 63 N 5.30 2.53 -0.10 10.12 -0.00 -1.26 -4.30 118.94 131.23 2wyl s TRP 63 Ca 0.67 -1.02 0.15 0.00 -0.00 0.00 0.00 56.10 55.89 2wyl s TRP 63 Cb -0.20 -1.69 0.23 0.00 -0.00 0.00 0.00 33.47 31.81 2wyl s TRP 63 CO 0.29 -0.41 1.12 0.00 -0.00 0.00 0.00 176.95 177.95 2wyl n GLY 65 N -1.12 -0.35 2.33 0.00 0.00 -1.26 -5.05 105.19 99.74 2wyl n GLY 65 Ca 0.13 -1.84 -0.16 0.00 0.00 0.00 0.00 46.02 44.14 2wyl n GLY 65 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2wyl n THR 66 N -2.65 0.00 -0.21 2.61 5.66 -1.26 -5.08 114.28 113.36 2wyl n THR 66 Ca 0.09 -1.69 0.00 0.00 -3.05 0.00 0.00 64.05 59.40 2wyl n THR 66 Cb 0.33 0.70 0.00 0.00 -1.55 0.00 0.00 70.33 69.81 2wyl n THR 66 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wyl n GLY 67 N -0.10 1.64 3.70 1.09 0.00 -1.26 -4.96 105.19 105.31 2wyl n GLY 67 Ca -0.01 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 2wyl n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wyl s LYS 68 N 3.50 4.22 0.00 1.61 -0.14 -0.33 -4.90 119.74 123.70 2wyl s LYS 68 Ca 0.00 2.28 0.14 0.00 -1.36 0.00 0.00 55.97 57.03 2wyl s LYS 68 Cb 0.00 -3.39 -0.07 0.00 -1.68 0.00 0.00 37.83 32.69 2wyl s LYS 68 CO 0.00 -0.64 0.68 1.04 -0.76 0.00 0.00 175.35 175.67 2wyl n GLN 69 N 4.79 2.16 -3.54 1.68 6.02 -1.26 -4.85 117.38 122.37 2wyl n GLN 69 Ca 0.14 -0.39 -0.11 0.00 -0.01 0.00 0.00 57.00 56.63 2wyl n GLN 69 Cb 0.40 -1.18 -0.03 0.00 1.02 0.00 0.00 30.24 30.46 2wyl n GLN 69 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2wyl s SER 70 N -1.99 -0.43 0.40 1.08 0.15 -1.26 -5.03 113.70 106.61 2wyl s SER 70 Ca 0.09 -0.18 0.22 0.00 0.70 0.00 0.00 55.95 56.78 2wyl s SER 70 Cb 0.11 0.58 0.42 0.00 -1.71 0.00 0.00 66.02 65.42 2wyl s SER 70 CO 0.45 -0.98 1.62 0.45 1.20 0.00 0.00 173.24 175.98 2wyl h HIS 71 N 2.11 0.00 0.00 3.44 3.86 -2.04 -3.53 115.15 118.98 2wyl h HIS 71 Ca -0.32 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.89 2wyl h HIS 71 Cb 1.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.76 2wyl h HIS 71 CO 0.28 0.19 0.00 0.41 0.86 0.00 0.00 177.93 179.67 2wyl n GLY 72 N 0.92 1.45 0.00 2.45 0.00 -1.26 -5.25 105.19 103.50 2wyl n GLY 72 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2wyl n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wyl n GLN 92 N 1.65 0.00 -1.64 1.61 10.64 -1.26 -5.20 117.38 123.18 2wyl n GLN 92 Ca 0.00 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 54.76 2wyl n GLN 92 Cb 0.25 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.62 2wyl n GLN 92 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 2wyl n PRO 93 N 0.00 3.36 -2.96 2.61 -0.04 -1.26 -4.91 135.00 131.80 2wyl n PRO 93 Ca 0.00 -2.58 -0.43 0.00 -0.04 0.00 0.00 63.50 60.45 2wyl n PRO 93 Cb 0.00 -3.03 -0.05 0.00 -0.04 0.00 0.00 33.50 30.38 2wyl n PRO 93 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wyl s ASN 94 N 2.42 6.27 -0.08 3.54 4.22 -1.26 -4.19 114.94 125.86 2wyl s ASN 94 Ca 0.56 -0.69 0.01 0.00 -2.14 0.00 0.00 52.86 50.60 2wyl s ASN 94 Cb 0.15 -2.38 -0.03 0.00 1.28 0.00 0.00 41.25 40.28 2wyl s ASN 94 CO -0.07 -1.15 -0.11 -0.76 -2.04 0.00 0.00 177.10 172.97 2wyl s LEU 95 N 3.48 2.91 0.01 3.54 1.43 -1.26 -1.19 118.68 127.60 2wyl s LEU 95 Ca 0.23 -0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 52.87 2wyl s LEU 95 Cb -0.16 -1.62 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 2wyl s LEU 95 CO 0.15 0.31 1.37 -0.60 0.23 0.00 0.00 176.35 177.80 2wyl s ARG 96 N -0.48 4.30 0.00 1.70 3.52 -1.26 -1.39 118.95 125.34 2wyl s ARG 96 Ca 0.07 1.93 0.11 0.00 -0.13 0.00 0.00 55.73 57.71 2wyl s ARG 96 Cb -0.12 -3.53 0.07 0.00 -1.56 0.00 0.00 34.95 29.81 2wyl s ARG 96 CO 0.02 -0.53 0.82 0.25 -0.81 0.00 0.00 175.30 175.05 2wyl n THR 97 N 4.54 0.00 -4.85 4.11 -2.24 -0.13 -4.92 114.28 110.78 2wyl n THR 97 Ca 0.12 -0.47 -0.33 0.00 -2.27 0.00 0.00 64.05 61.11 2wyl n THR 97 Cb 0.44 1.21 -0.13 0.00 -2.10 0.00 0.00 70.33 69.75 2wyl n THR 97 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2wyl s THR 98 N -1.09 3.09 0.90 4.28 -1.32 -1.26 -4.96 115.64 115.29 2wyl s THR 98 Ca 0.12 -0.70 -0.15 0.00 -1.21 0.00 0.00 61.69 59.75 2wyl s THR 98 Cb 0.09 -2.23 0.22 0.00 -1.51 0.00 0.00 72.50 69.07 2wyl s THR 98 CO 0.18 0.58 0.91 -0.81 -2.21 0.00 0.00 174.62 173.26 2wyl n PRO 99 N 2.60 -2.20 -3.49 7.08 -0.04 -1.26 -5.02 135.00 132.67 2wyl n PRO 99 Ca -0.17 -1.43 -0.42 0.00 -0.04 0.00 0.00 63.50 61.44 2wyl n PRO 99 Cb 0.52 -1.22 -0.10 0.00 -0.04 0.00 0.00 33.50 32.66 2wyl n PRO 99 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2wyl s PHE 100 N -2.75 3.23 -0.20 0.54 0.40 -1.26 -4.93 117.98 113.00 2wyl s PHE 100 Ca 0.56 -0.36 0.22 0.00 -0.60 0.00 0.00 56.93 56.76 2wyl s PHE 100 Cb -0.04 -2.55 -0.08 0.00 0.51 0.00 0.00 43.02 40.86 2wyl s PHE 100 CO 0.42 -0.47 0.91 1.33 0.70 0.00 0.00 175.22 178.11 2wyl n VAL 101 N 5.15 0.45 -4.32 -0.44 0.24 -1.26 -2.54 118.33 115.61 2wyl n VAL 101 Ca -0.12 -0.52 -0.21 0.00 -2.04 0.00 0.00 64.34 61.45 2wyl n VAL 101 Cb 0.48 -0.23 -0.16 0.00 -1.47 0.00 0.00 33.84 32.46 2wyl n VAL 101 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2wyl s LEU 102 N -5.09 1.55 -0.38 1.34 2.96 -1.26 -4.21 118.68 113.60 2wyl s LEU 102 Ca -0.02 -0.18 -0.22 0.00 -0.22 0.00 0.00 54.13 53.49 2wyl s LEU 102 Cb 0.11 -0.55 0.01 0.00 0.50 0.00 0.00 46.19 46.26 2wyl s LEU 102 CO 0.82 0.00 0.74 -0.62 -1.32 0.00 0.00 176.35 175.97 2wyl s ASP 103 N 0.61 6.49 0.44 3.68 -1.08 -1.23 -4.94 116.67 120.64 2wyl s ASP 103 Ca -0.10 0.21 0.11 0.00 -0.52 0.00 0.00 52.55 52.25 2wyl s ASP 103 Cb -0.13 -2.37 1.01 0.00 -1.46 0.00 0.00 42.92 39.96 2wyl s ASP 103 CO 0.01 -0.72 2.06 1.55 0.52 0.00 0.00 175.17 178.59 2wyl h PRO 104 N 8.56 0.37 -0.00 4.34 0.13 -1.94 -2.20 132.00 141.26 2wyl h PRO 104 Ca -0.25 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2wyl h PRO 104 Cb 1.10 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2wyl h PRO 104 CO 0.90 0.24 -0.01 1.19 -0.23 0.00 0.00 178.00 180.09 2wyl n PHE 105 N -4.49 0.00 0.90 1.56 3.01 -1.26 -2.60 117.46 114.59 2wyl n PHE 105 Ca 0.03 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.60 2wyl n PHE 105 Cb 0.15 -0.12 0.09 0.00 -0.01 0.00 0.00 39.48 39.59 2wyl n PHE 105 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wyl n ALA 106 N -1.06 2.46 -2.30 4.37 0.00 -0.83 -4.96 120.51 118.20 2wyl n ALA 106 Ca 0.20 -0.68 -0.42 0.00 0.00 0.00 0.00 53.44 52.53 2wyl n ALA 106 Cb 0.18 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 2wyl n ALA 106 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wyl s ILE 107 N -1.83 3.82 0.03 0.00 1.01 -1.07 -4.91 121.20 118.25 2wyl s ILE 107 Ca 0.26 1.23 -0.00 0.00 0.00 0.00 0.00 60.65 62.14 2wyl s ILE 107 Cb 0.18 -3.79 -0.00 0.00 0.01 0.00 0.00 42.46 38.86 2wyl s ILE 107 CO 0.28 0.03 -0.00 0.54 0.00 0.00 0.00 174.94 175.78 2wyl n ARG 108 N 4.89 0.01 -2.50 2.79 5.12 -1.26 -4.70 116.66 121.00 2wyl n ARG 108 Ca 0.12 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.61 2wyl n ARG 108 Cb 0.44 -0.19 -0.02 0.00 -1.16 0.00 0.00 32.46 31.53 2wyl n ARG 108 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2wyl s GLN 109 N -1.35 4.12 -0.14 5.56 1.11 -1.26 -4.72 119.66 122.99 2wyl s GLN 109 Ca -0.00 1.39 -0.17 0.00 0.01 0.00 0.00 55.36 56.59 2wyl s GLN 109 Cb 0.00 -3.77 0.04 0.00 -1.01 0.00 0.00 33.01 28.27 2wyl s GLN 109 CO 0.00 -0.84 0.45 -1.50 0.01 0.00 0.00 175.29 173.41 2wyl s ILE 110 N 3.72 0.01 -0.13 1.08 1.10 -1.26 -4.90 121.20 120.82 2wyl s ILE 110 Ca 0.52 -0.08 0.06 0.00 -0.51 0.00 0.00 60.65 60.64 2wyl s ILE 110 Cb -0.17 -0.66 -0.09 0.00 0.15 0.00 0.00 42.46 41.68 2wyl s ILE 110 CO 0.16 -0.04 0.20 0.47 -2.11 0.00 0.00 174.94 173.61 2wyl n ASP 111 N 2.42 2.17 -3.63 4.50 8.00 0.40 -4.87 116.55 125.53 2wyl n ASP 111 Ca -0.15 -0.27 -0.07 0.00 0.71 0.00 0.00 54.79 55.01 2wyl n ASP 111 Cb 0.57 1.17 -0.06 0.00 -0.02 0.00 0.00 41.12 42.78 2wyl n ASP 111 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wyl s ALA 112 N -2.10 -2.04 -0.17 2.24 0.00 -1.20 -4.32 121.76 114.17 2wyl s ALA 112 Ca -0.00 1.77 -0.01 0.00 0.00 0.00 0.00 51.96 53.71 2wyl s ALA 112 Cb 0.04 -1.39 -0.01 0.00 0.00 0.00 0.00 23.12 21.77 2wyl s ALA 112 CO 0.27 -0.22 -0.11 0.08 0.00 0.00 0.00 175.76 175.78 2wyl s VAL 113 N -0.19 3.06 0.12 0.00 1.01 -0.27 -1.88 120.40 122.25 2wyl s VAL 113 Ca 0.04 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 61.47 2wyl s VAL 113 Cb -0.04 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 2wyl s VAL 113 CO -0.07 0.49 -0.21 -0.76 0.00 0.00 0.00 175.10 174.55 2wyl s LEU 114 N 0.82 2.33 0.01 3.92 1.02 0.96 -0.15 118.68 127.59 2wyl s LEU 114 Ca -0.04 -0.73 0.02 0.00 0.02 0.00 0.00 54.13 53.41 2wyl s LEU 114 Cb -0.15 -0.92 -0.01 0.00 0.02 0.00 0.00 46.19 45.13 2wyl s LEU 114 CO 0.01 0.06 -0.07 0.00 0.02 0.00 0.00 176.35 176.36 2wyl s ALA 115 N -1.30 0.59 -0.10 4.21 0.00 -0.51 -1.59 121.76 123.05 2wyl s ALA 115 Ca 0.09 -0.43 -0.18 0.00 0.00 0.00 0.00 51.96 51.44 2wyl s ALA 115 Cb -0.09 -0.09 -0.27 0.00 0.00 0.00 0.00 23.12 22.66 2wyl s ALA 115 CO 0.05 0.10 0.61 1.79 0.00 0.00 0.00 175.76 178.31 2wyl h THR 116 N 4.83 1.16 -3.66 0.00 1.35 -1.88 -3.39 112.91 111.32 2wyl h THR 116 Ca -0.31 -2.41 -0.12 0.00 -0.55 0.00 0.00 66.41 63.02 2wyl h THR 116 Cb 1.19 2.81 -0.07 0.00 -1.73 0.00 0.00 68.15 70.35 2wyl h THR 116 CO 0.47 0.67 -0.05 -1.38 -0.25 0.00 0.00 175.52 174.98 2wyl s HIS 117 N -2.45 0.53 -1.91 4.73 -3.43 -1.26 -1.05 115.29 110.46 2wyl s HIS 117 Ca -0.19 -0.91 0.11 0.00 -0.80 0.00 0.00 55.06 53.26 2wyl s HIS 117 Cb 0.03 0.24 0.32 0.00 -1.43 0.00 0.00 32.58 31.75 2wyl s HIS 117 CO 0.76 -1.16 1.25 -0.40 -2.00 0.00 0.00 174.74 173.19 2wyl n ASP 118 N -0.93 2.02 -4.77 7.38 5.75 -1.26 -4.50 116.55 120.23 2wyl n ASP 118 Ca -0.02 -2.03 -0.40 0.00 -0.01 0.00 0.00 54.79 52.33 2wyl n ASP 118 Cb 0.61 -0.26 -0.00 0.00 -1.03 0.00 0.00 41.12 40.44 2wyl n ASP 118 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 2wyl s HIS 119 N -1.54 2.79 0.28 2.11 2.46 -1.26 -4.88 115.29 115.26 2wyl s HIS 119 Ca 0.24 1.39 0.02 0.00 0.47 0.00 0.00 55.06 57.18 2wyl s HIS 119 Cb 0.13 -3.71 0.68 0.00 -0.13 0.00 0.00 32.58 29.56 2wyl s HIS 119 CO 0.16 -2.19 1.66 -0.97 -2.47 0.00 0.00 174.74 170.93 2wyl h ASN 120 N 2.70 0.08 0.10 9.88 -1.24 -1.90 -1.36 115.58 123.82 2wyl h ASN 120 Ca -0.50 0.18 0.00 0.00 0.71 0.00 0.00 56.30 56.69 2wyl h ASN 120 Cb 1.25 0.23 0.00 0.00 0.73 0.00 0.00 38.32 40.52 2wyl h ASN 120 CO 0.63 -0.11 0.00 0.47 -1.29 0.00 0.00 177.43 177.13 2wyl n ASP 121 N -5.18 0.00 -0.00 1.15 9.92 -1.26 -3.27 116.55 117.91 2wyl n ASP 121 Ca 0.21 0.03 -0.00 0.00 -0.53 0.00 0.00 54.79 54.49 2wyl n ASP 121 Cb 0.65 -0.19 -0.00 0.00 -0.64 0.00 0.00 41.12 40.94 2wyl n ASP 121 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 2wyl n HIS 122 N -1.19 0.00 -4.61 1.24 8.25 -0.52 -4.62 115.22 113.77 2wyl n HIS 122 Ca 0.05 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.27 2wyl n HIS 122 Cb 0.05 -0.02 -0.16 0.00 1.12 0.00 0.00 29.99 30.98 2wyl n HIS 122 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 2wyl s ILE 123 N -2.02 1.12 -0.02 1.59 2.07 -1.20 -4.06 121.20 118.67 2wyl s ILE 123 Ca -0.00 -0.53 0.02 0.00 -1.41 0.00 0.00 60.65 58.73 2wyl s ILE 123 Cb 0.00 -0.99 0.01 0.00 0.13 0.00 0.00 42.46 41.61 2wyl s ILE 123 CO 0.02 0.34 -0.06 -0.62 -1.91 0.00 0.00 174.94 172.71 2wyl s ASP 124 N 0.26 0.86 0.21 4.50 2.15 -1.26 -4.79 116.67 118.61 2wyl s ASP 124 Ca -0.06 -0.13 -0.04 0.00 0.43 0.00 0.00 52.55 52.75 2wyl s ASP 124 Cb -0.12 -0.26 0.18 0.00 -0.30 0.00 0.00 42.92 42.42 2wyl s ASP 124 CO 0.02 0.02 1.62 0.58 -0.17 0.00 0.00 175.17 177.24 2wyl h VAL 125 N 5.56 1.27 -0.51 1.11 2.07 -1.97 -2.56 116.25 121.22 2wyl h VAL 125 Ca -0.34 -1.35 -0.09 0.00 0.82 0.00 0.00 66.70 65.74 2wyl h VAL 125 Cb 1.17 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 2wyl h VAL 125 CO 0.49 0.45 -0.05 0.78 0.02 0.00 0.00 177.57 179.26 2wyl h ASN 126 N 0.67 0.87 -0.26 0.57 2.35 -1.96 0.35 115.58 118.17 2wyl h ASN 126 Ca 0.09 -0.25 -0.04 0.00 -0.55 0.00 0.00 56.30 55.55 2wyl h ASN 126 Cb 0.75 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 2wyl h ASN 126 CO 0.06 0.96 0.01 0.58 -1.65 0.00 0.00 177.43 177.39 2wyl h VAL 127 N 0.81 1.25 -0.05 2.81 2.07 -1.87 0.39 116.25 121.66 2wyl h VAL 127 Ca 0.14 -0.87 0.02 0.00 0.82 0.00 0.00 66.70 66.81 2wyl h VAL 127 Cb 0.56 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 2wyl h VAL 127 CO 0.03 0.28 -0.09 0.00 0.02 0.00 0.00 177.57 177.81 2wyl h ALA 128 N 0.83 -0.05 -0.32 1.67 0.00 -1.18 -1.53 119.26 118.67 2wyl h ALA 128 Ca 0.07 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2wyl h ALA 128 Cb 0.39 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2wyl h ALA 128 CO 0.01 -0.56 0.21 0.00 0.00 0.00 0.00 179.25 178.91 2wyl h ALA 129 N 0.91 0.41 0.13 0.00 0.00 -0.26 -3.12 119.26 117.32 2wyl h ALA 129 Ca 0.05 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2wyl h ALA 129 Cb 0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2wyl h ALA 129 CO -0.13 -0.13 -0.22 0.00 0.00 0.00 0.00 179.25 178.77 2wyl h ALA 130 N 1.12 -0.39 0.00 0.00 0.00 -0.79 -1.61 119.26 117.59 2wyl h ALA 130 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2wyl h ALA 130 Cb -0.05 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2wyl h ALA 130 CO -0.03 -0.76 0.00 0.28 0.00 0.00 0.00 179.25 178.74 2wyl n VAL 131 N -5.35 0.01 0.00 0.00 0.31 -0.59 -2.01 118.33 110.70 2wyl n VAL 131 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 2wyl n VAL 131 Cb 0.26 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.77 2wyl n VAL 131 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wyl n GLN 133 N 0.90 0.00 0.00 5.55 6.02 -0.61 -1.23 117.38 128.02 2wyl n GLN 133 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.01 2wyl n GLN 133 Cb 0.00 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.24 2wyl n GLN 133 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2wyl n ASN 134 N 0.00 0.28 -4.67 1.08 3.02 -0.85 -5.06 115.26 109.05 2wyl n ASN 134 Ca 0.00 -0.64 -0.30 0.00 -0.03 0.00 0.00 54.58 53.61 2wyl n ASN 134 Cb 0.00 0.93 -0.10 0.00 -0.61 0.00 0.00 39.78 40.00 2wyl n ASN 134 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wyl n ALA 136 N -1.09 2.30 0.41 0.00 0.00 -1.26 -4.82 120.51 116.04 2wyl n ALA 136 Ca -0.11 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2wyl n ALA 136 Cb 0.67 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.70 2wyl n ALA 136 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wyl n ASP 137 N 1.34 1.23 0.00 0.00 5.68 -1.26 -2.17 116.55 121.38 2wyl n ASP 137 Ca 0.05 -0.82 0.00 0.00 -0.50 0.00 0.00 54.79 53.52 2wyl n ASP 137 Cb 0.37 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 2wyl n ASP 137 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2wyl n ASP 138 N 0.80 0.00 -4.66 -1.12 2.03 -1.26 -5.05 116.55 107.29 2wyl n ASP 138 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 2wyl n ASP 138 Cb 0.20 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.58 2wyl n ASP 138 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2wyl s VAL 139 N 0.00 3.56 0.30 5.18 1.01 -0.92 -4.99 120.40 124.54 2wyl s VAL 139 Ca 0.00 0.73 -0.25 0.00 0.00 0.00 0.00 61.98 62.46 2wyl s VAL 139 Cb 0.00 -3.47 -0.10 0.00 0.00 0.00 0.00 36.38 32.81 2wyl s VAL 139 CO 0.00 -0.06 0.91 -2.16 0.00 0.00 0.00 175.10 173.79 2wyl s PRO 140 N 3.80 4.55 -0.40 2.72 0.04 -1.26 -4.90 135.00 139.54 2wyl s PRO 140 Ca 0.72 1.26 -0.13 0.00 0.04 0.00 0.00 61.00 62.90 2wyl s PRO 140 Cb -0.33 -2.84 0.03 0.00 0.04 0.00 0.00 34.50 31.40 2wyl s PRO 140 CO 0.29 0.31 0.27 -0.06 0.04 0.00 0.00 177.00 177.85 2wyl s PHE 141 N -1.58 3.25 -0.18 0.56 0.40 -0.31 -1.12 117.98 119.01 2wyl s PHE 141 Ca 0.48 -0.86 -0.04 0.00 -0.60 0.00 0.00 56.93 55.91 2wyl s PHE 141 Cb -0.19 -2.61 -0.03 0.00 0.51 0.00 0.00 43.02 40.71 2wyl s PHE 141 CO 0.24 -0.66 -0.02 0.42 0.70 0.00 0.00 175.22 175.90 2wyl s ILE 142 N 1.60 3.93 -0.04 0.64 1.01 0.79 -1.10 121.20 128.03 2wyl s ILE 142 Ca 0.03 -0.33 -0.30 0.00 0.00 0.00 0.00 60.65 60.05 2wyl s ILE 142 Cb -0.20 -2.75 0.11 0.00 0.01 0.00 0.00 42.46 39.63 2wyl s ILE 142 CO 0.08 0.46 1.32 -0.83 0.00 0.00 0.00 174.94 175.97 2wyl s GLY 143 N 0.66 -0.23 0.89 6.18 0.00 -1.05 -1.42 107.32 112.36 2wyl s GLY 143 Ca -0.01 0.27 -0.11 0.00 0.00 0.00 0.00 44.72 44.87 2wyl s GLY 143 CO 0.02 4.26 1.11 -4.14 0.00 0.00 0.00 173.10 174.35 2wyl s PRO 144 N -2.09 1.23 0.24 2.90 0.02 -1.26 -1.40 135.00 134.64 2wyl s PRO 144 Ca 0.26 1.25 -0.10 0.00 0.02 0.00 0.00 61.00 62.42 2wyl s PRO 144 Cb 0.01 -1.77 0.36 0.00 0.02 0.00 0.00 34.50 33.12 2wyl s PRO 144 CO -0.02 -2.39 1.61 -0.22 -0.33 0.00 0.00 177.00 175.65 2wyl h LYS 145 N -1.68 0.02 0.00 5.54 3.64 -1.69 0.89 116.57 123.29 2wyl h LYS 145 Ca -0.46 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.87 2wyl h LYS 145 Cb 1.27 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.07 2wyl h LYS 145 CO 0.47 0.01 -0.22 0.00 -2.27 0.00 0.00 179.45 177.45 2wyl h THR 146 N 0.02 1.02 -0.10 1.00 1.03 -1.65 0.16 112.91 114.40 2wyl h THR 146 Ca 0.38 -0.80 -0.11 0.00 -0.01 0.00 0.00 66.41 65.87 2wyl h THR 146 Cb 0.62 1.45 0.00 0.00 -1.07 0.00 0.00 68.15 69.15 2wyl h THR 146 CO -0.76 0.22 -0.38 0.00 -0.01 0.00 0.00 175.52 174.59 2wyl h VAL 148 N -0.00 1.09 -0.26 0.00 2.07 -0.86 0.20 116.25 118.48 2wyl h VAL 148 Ca -0.02 -0.30 0.06 0.00 0.82 0.00 0.00 66.70 67.25 2wyl h VAL 148 Cb 1.02 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 2wyl h VAL 148 CO 0.08 0.16 -0.09 0.44 0.02 0.00 0.00 177.57 178.18 2wyl h ASP 149 N 0.88 -0.32 -0.40 0.57 3.32 -0.67 0.69 116.42 120.49 2wyl h ASP 149 Ca 0.29 0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.37 2wyl h ASP 149 Cb 0.03 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 2wyl h ASP 149 CO -0.11 -0.12 0.03 0.25 -1.72 0.00 0.00 179.24 177.56 2wyl h LEU 150 N -0.04 0.73 -0.04 1.55 5.85 -0.74 -2.61 115.31 120.01 2wyl h LEU 150 Ca 0.13 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2wyl h LEU 150 Cb 0.24 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 2wyl h LEU 150 CO -0.29 0.78 -0.01 -0.50 -0.34 0.00 0.00 178.44 178.08 2wyl h TRP 151 N 0.73 0.09 -0.87 1.25 6.55 -0.21 -3.09 115.95 120.39 2wyl h TRP 151 Ca 0.15 -0.02 0.12 0.00 0.95 0.00 0.00 58.89 60.09 2wyl h TRP 151 Cb 0.40 -0.02 -0.08 0.00 -0.86 0.00 0.00 29.16 28.60 2wyl h TRP 151 CO 0.02 0.44 0.50 0.82 -1.05 0.00 0.00 178.44 179.17 2wyl h ILE 152 N -0.29 0.84 0.00 1.49 2.04 -0.76 -1.18 117.51 119.65 2wyl h ILE 152 Ca 0.01 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 2wyl h ILE 152 Cb 0.41 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2wyl h ILE 152 CO 0.00 0.14 -0.16 1.23 0.00 0.00 0.00 178.15 179.37 2wyl h GLY 153 N 0.77 0.00 2.00 5.37 0.00 -1.48 -1.83 103.07 107.90 2wyl h GLY 153 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.78 2wyl h GLY 153 CO -0.30 0.00 0.00 0.79 0.00 0.00 0.00 176.54 177.03 2wyl n TRP 154 N -4.31 0.26 0.00 5.60 8.01 -0.49 -4.89 117.44 121.62 2wyl n TRP 154 Ca -0.03 0.08 0.00 0.00 -1.31 0.00 0.00 57.50 56.24 2wyl n TRP 154 Cb 0.22 -0.63 0.00 0.00 -2.01 0.00 0.00 31.31 28.90 2wyl n TRP 154 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2wyl n GLY 155 N 1.26 1.38 3.67 6.99 0.00 -0.69 -5.04 105.19 112.77 2wyl n GLY 155 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 2wyl n GLY 155 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wyl s VAL 156 N -2.00 4.35 0.43 1.61 1.01 -0.95 -5.00 120.40 119.86 2wyl s VAL 156 Ca 0.00 1.64 -0.26 0.00 0.00 0.00 0.00 61.98 63.36 2wyl s VAL 156 Cb 0.00 -4.06 -0.09 0.00 0.00 0.00 0.00 36.38 32.23 2wyl s VAL 156 CO 0.00 -0.11 1.46 -2.84 0.00 0.00 0.00 175.10 173.60 2wyl s PRO 157 N 3.17 3.79 0.55 2.72 0.02 -1.26 -4.04 135.00 139.95 2wyl s PRO 157 Ca 0.53 2.49 0.26 0.00 0.02 0.00 0.00 61.00 64.30 2wyl s PRO 157 Cb -0.21 -2.74 1.58 0.00 0.02 0.00 0.00 34.50 33.15 2wyl s PRO 157 CO 0.15 -0.76 2.17 1.57 -0.33 0.00 0.00 177.00 179.80 2wyl h LYS 158 N 2.50 0.00 -0.00 5.54 -0.00 -1.94 -0.25 116.57 122.42 2wyl h LYS 158 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.14 2wyl h LYS 158 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.49 2wyl h LYS 158 CO 0.62 0.05 -0.00 -0.85 -0.00 0.00 0.00 179.45 179.26 2wyl n GLU 159 N -3.95 0.37 0.00 0.07 0.00 -1.26 -2.76 120.64 113.10 2wyl n GLU 159 Ca -0.03 -0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.25 2wyl n GLU 159 Cb 0.13 -1.50 0.16 0.00 0.00 0.00 0.00 31.44 30.24 2wyl n GLU 159 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2wyl n ARG 160 N -1.32 1.81 -4.49 3.44 5.12 -0.11 -4.94 116.66 116.18 2wyl n ARG 160 Ca 0.13 -1.41 -0.34 0.00 -1.93 0.00 0.00 57.85 54.29 2wyl n ARG 160 Cb 0.26 -1.47 -0.10 0.00 -1.16 0.00 0.00 32.46 29.98 2wyl n ARG 160 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wyl s ILE 162 N -0.85 1.94 0.07 0.00 1.01 -0.26 -4.92 121.20 118.20 2wyl s ILE 162 Ca 0.13 -1.78 -0.31 0.00 0.00 0.00 0.00 60.65 58.70 2wyl s ILE 162 Cb -0.11 -2.26 -0.06 0.00 0.01 0.00 0.00 42.46 40.04 2wyl s ILE 162 CO 0.02 -0.31 1.25 0.54 0.00 0.00 0.00 174.94 176.43 2wyl s VAL 163 N 1.14 3.86 0.09 2.92 0.11 -1.26 -2.53 120.40 124.74 2wyl s VAL 163 Ca 0.01 1.33 0.08 0.00 -2.93 0.00 0.00 61.98 60.47 2wyl s VAL 163 Cb -0.19 -3.85 -0.03 0.00 -1.53 0.00 0.00 36.38 30.77 2wyl s VAL 163 CO -0.08 0.10 -0.22 0.68 -3.33 0.00 0.00 175.10 172.25 2wyl s VAL 164 N 1.09 1.79 0.12 2.04 -7.23 -0.49 -4.94 120.40 112.78 2wyl s VAL 164 Ca 0.60 -1.49 0.01 0.00 -1.81 0.00 0.00 61.98 59.29 2wyl s VAL 164 Cb -0.31 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 2wyl s VAL 164 CO 0.29 0.03 -0.03 -1.59 -0.31 0.00 0.00 175.10 173.50 2wyl s LYS 165 N -1.74 0.92 -0.11 4.82 -2.85 -1.26 -4.07 119.74 115.44 2wyl s LYS 165 Ca 0.08 -1.40 -0.40 0.00 -1.00 0.00 0.00 55.97 53.25 2wyl s LYS 165 Cb -0.10 -0.15 -0.18 0.00 -2.06 0.00 0.00 37.83 35.34 2wyl s LYS 165 CO 0.04 -0.08 1.38 -2.30 0.10 0.00 0.00 175.35 174.49 2wyl n PRO 166 N -0.10 0.59 0.00 1.78 -0.02 -1.26 -1.51 135.00 134.48 2wyl n PRO 166 Ca -0.10 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 2wyl n PRO 166 Cb 0.62 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 2wyl n PRO 166 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wyl n GLY 167 N 2.79 2.23 3.77 -1.23 0.00 0.06 -4.96 105.19 107.85 2wyl n GLY 167 Ca 0.23 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 2wyl n GLY 167 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wyl s ASP 168 N -0.08 6.39 -0.14 1.61 1.01 -0.57 -4.78 116.67 120.11 2wyl s ASP 168 Ca 0.00 2.87 0.01 0.00 0.71 0.00 0.00 52.55 56.14 2wyl s ASP 168 Cb 0.00 -2.66 0.02 0.00 1.01 0.00 0.00 42.92 41.29 2wyl s ASP 168 CO 0.00 -0.82 -0.16 -0.69 0.21 0.00 0.00 175.17 173.71 2wyl s VAL 169 N -1.16 1.64 -0.20 -1.27 1.01 -1.26 -0.75 120.40 118.40 2wyl s VAL 169 Ca 0.54 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 2wyl s VAL 169 Cb -0.43 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 2wyl s VAL 169 CO 0.57 0.47 -0.07 -0.69 0.00 0.00 0.00 175.10 175.38 2wyl s VAL 170 N 1.28 3.23 -0.41 2.92 1.01 0.96 -4.96 120.40 124.42 2wyl s VAL 170 Ca 0.01 -0.55 -0.20 0.00 0.00 0.00 0.00 61.98 61.24 2wyl s VAL 170 Cb -0.14 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 33.82 2wyl s VAL 170 CO -0.08 0.45 0.58 -0.75 0.00 0.00 0.00 175.10 175.30 2wyl s LYS 171 N 1.24 3.33 -0.52 2.72 2.47 -1.26 -0.38 119.74 127.34 2wyl s LYS 171 Ca 0.03 -0.38 -0.02 0.00 -1.56 0.00 0.00 55.97 54.03 2wyl s LYS 171 Cb -0.14 -3.92 0.14 0.00 -1.46 0.00 0.00 37.83 32.44 2wyl s LYS 171 CO -0.03 -0.90 0.32 0.08 0.16 0.00 0.00 175.35 174.99 2wyl s VAL 172 N 2.60 3.46 0.00 4.02 1.01 -0.21 -5.02 120.40 126.26 2wyl s VAL 172 Ca 0.20 -2.56 0.00 0.00 0.00 0.00 0.00 61.98 59.62 2wyl s VAL 172 Cb -0.15 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.92 2wyl s VAL 172 CO 0.17 -0.79 0.00 0.29 0.00 0.00 0.00 175.10 174.77 2wyl n LYS 173 N 3.98 0.00 -0.05 2.72 5.02 -1.26 -0.79 118.16 127.78 2wyl n LYS 173 Ca 0.03 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.44 2wyl n LYS 173 Cb 0.39 0.00 0.38 0.00 -0.02 0.00 0.00 35.03 35.78 2wyl n LYS 173 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2wyl n ASP 174 N 8.42 2.00 -4.48 4.39 3.85 -1.26 -4.79 116.55 124.67 2wyl n ASP 174 Ca 0.00 -1.70 -0.41 0.00 -0.71 0.00 0.00 54.79 51.97 2wyl n ASP 174 Cb 0.00 -0.06 -0.11 0.00 -1.35 0.00 0.00 41.12 39.60 2wyl n ASP 174 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 2wyl s ILE 175 N -1.87 5.09 -0.39 2.12 1.01 0.03 -4.14 121.20 123.05 2wyl s ILE 175 Ca 0.35 -0.46 -0.19 0.00 0.00 0.00 0.00 60.65 60.35 2wyl s ILE 175 Cb 0.20 -3.71 0.01 0.00 0.01 0.00 0.00 42.46 38.97 2wyl s ILE 175 CO 0.30 -0.11 0.53 -0.70 0.00 0.00 0.00 174.94 174.96 2wyl s GLU 176 N 1.67 3.42 -0.34 2.79 2.12 0.25 -1.04 118.70 127.56 2wyl s GLU 176 Ca 0.05 -0.34 -0.14 0.00 0.36 0.00 0.00 54.97 54.89 2wyl s GLU 176 Cb -0.18 -3.88 -0.01 0.00 0.26 0.00 0.00 34.13 30.31 2wyl s GLU 176 CO 0.09 -0.79 0.30 0.42 -0.54 0.00 0.00 175.26 174.74 2wyl s ILE 177 N 2.46 5.23 -0.26 -3.70 1.01 0.49 -0.27 121.20 126.16 2wyl s ILE 177 Ca 0.18 -0.10 -0.09 0.00 0.00 0.00 0.00 60.65 60.64 2wyl s ILE 177 Cb -0.15 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 2wyl s ILE 177 CO 0.15 -0.06 0.14 -1.00 0.00 0.00 0.00 174.94 174.17 2wyl s HIS 178 N 1.87 3.18 -0.09 3.97 3.76 -0.38 -0.03 115.29 127.58 2wyl s HIS 178 Ca 0.09 -0.06 -0.23 0.00 -0.15 0.00 0.00 55.06 54.71 2wyl s HIS 178 Cb -0.17 -2.30 -0.03 0.00 1.11 0.00 0.00 32.58 31.18 2wyl s HIS 178 CO 0.11 -0.19 0.70 0.00 -0.85 0.00 0.00 174.74 174.51 2wyl s ALA 179 N 1.56 3.37 0.29 -1.40 0.00 0.07 -0.99 121.76 124.65 2wyl s ALA 179 Ca 0.07 0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.13 2wyl s ALA 179 Cb -0.15 -2.97 -0.06 0.00 0.00 0.00 0.00 23.12 19.94 2wyl s ALA 179 CO 0.07 -0.18 0.07 -0.51 0.00 0.00 0.00 175.76 175.21 2wyl s LEU 180 N 0.99 1.94 0.41 0.00 1.43 0.15 -0.76 118.68 122.84 2wyl s LEU 180 Ca 0.36 -1.37 -0.27 0.00 -1.03 0.00 0.00 54.13 51.83 2wyl s LEU 180 Cb -0.17 -0.20 -0.09 0.00 0.03 0.00 0.00 46.19 45.76 2wyl s LEU 180 CO 0.17 -0.65 1.43 -1.81 0.23 0.00 0.00 176.35 175.71 2wyl s ASP 181 N -3.40 6.13 0.02 2.29 1.01 -1.26 -0.47 116.67 120.99 2wyl s ASP 181 Ca 0.37 2.92 0.08 0.00 0.71 0.00 0.00 52.55 56.63 2wyl s ASP 181 Cb 0.08 -2.66 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 2wyl s ASP 181 CO 0.14 -1.00 -0.23 0.00 0.21 0.00 0.00 175.17 174.29 2wyl s ALA 182 N -1.18 1.94 -0.22 5.23 0.00 -1.26 -4.20 121.76 122.07 2wyl s ALA 182 Ca 0.57 -1.08 -0.04 0.00 0.00 0.00 0.00 51.96 51.42 2wyl s ALA 182 Cb -0.44 -0.44 0.09 0.00 0.00 0.00 0.00 23.12 22.34 2wyl s ALA 182 CO 0.58 0.46 0.19 -0.06 0.00 0.00 0.00 175.76 176.93 2wyl s PHE 183 N -0.68 -0.13 0.00 0.00 0.08 -1.26 -4.96 117.98 111.02 2wyl s PHE 183 Ca 0.09 -0.10 0.00 0.00 0.12 0.00 0.00 56.93 57.04 2wyl s PHE 183 Cb -0.09 -0.52 0.00 0.00 -0.57 0.00 0.00 43.02 41.84 2wyl s PHE 183 CO 0.01 -0.67 0.00 0.41 -0.10 0.00 0.00 175.22 174.87 2wyl n GLY 204 N 5.30 0.00 4.84 4.36 0.00 -1.26 -1.86 105.19 116.57 2wyl n GLY 204 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2wyl n GLY 204 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wyl n ASP 206 N 0.00 0.00 0.08 1.61 9.92 -1.26 -4.46 116.55 122.44 2wyl n ASP 206 Ca 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.18 2wyl n ASP 206 Cb 0.00 -0.18 -0.06 0.00 -0.64 0.00 0.00 41.12 40.24 2wyl n ASP 206 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2wyl h ASP 207 N 0.00 0.11 0.00 -2.24 3.32 -1.97 -3.41 116.42 112.23 2wyl h ASP 207 Ca 0.00 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 2wyl h ASP 207 Cb 0.00 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 2wyl h ASP 207 CO 0.00 1.00 -0.31 0.03 -1.72 0.00 0.00 179.24 178.24 2wyl h ARG 208 N 0.03 0.00 -4.22 3.56 3.08 -1.94 -1.80 114.38 113.09 2wyl h ARG 208 Ca -0.03 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.82 2wyl h ARG 208 Cb 1.65 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 31.50 2wyl h ARG 208 CO 0.13 0.21 -0.71 0.00 -1.07 0.00 0.00 179.97 178.54 2wyl s ALA 209 N -2.56 0.34 0.03 0.04 0.00 -1.26 -4.00 121.76 114.35 2wyl s ALA 209 Ca -0.10 -0.74 -0.03 0.00 0.00 0.00 0.00 51.96 51.08 2wyl s ALA 209 Cb 0.01 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 2wyl s ALA 209 CO 0.22 -0.14 0.03 0.14 0.00 0.00 0.00 175.76 176.01 2wyl s VAL 210 N -1.78 0.14 0.08 0.00 -7.23 -0.21 -4.47 120.40 106.92 2wyl s VAL 210 Ca -0.10 -1.19 0.02 0.00 -1.81 0.00 0.00 61.98 58.89 2wyl s VAL 210 Cb -0.07 -0.85 -0.04 0.00 0.56 0.00 0.00 36.38 35.98 2wyl s VAL 210 CO -0.02 -0.66 0.13 0.20 -0.31 0.00 0.00 175.10 174.45 2wyl s ASN 211 N -2.10 5.83 -0.02 4.85 -0.87 0.38 -4.66 114.94 118.36 2wyl s ASN 211 Ca -0.06 0.09 0.04 0.00 -1.57 0.00 0.00 52.86 51.37 2wyl s ASN 211 Cb -0.02 -1.66 -0.03 0.00 -0.02 0.00 0.00 41.25 39.53 2wyl s ASN 211 CO -0.05 0.17 -0.13 -0.31 -2.57 0.00 0.00 177.10 174.21 2wyl s TYR 212 N -1.44 2.72 -0.22 2.20 2.02 -0.66 0.33 117.35 122.28 2wyl s TYR 212 Ca 0.31 -0.15 0.02 0.00 -0.37 0.00 0.00 57.07 56.89 2wyl s TYR 212 Cb -0.12 -1.59 0.04 0.00 -0.40 0.00 0.00 41.96 39.89 2wyl s TYR 212 CO 0.24 0.25 -0.15 -1.17 -1.57 0.00 0.00 175.55 173.15 2wyl s LEU 213 N -1.04 2.87 -0.45 -1.29 2.96 -0.16 -1.20 118.68 120.37 2wyl s LEU 213 Ca 0.13 -1.07 -0.20 0.00 -0.22 0.00 0.00 54.13 52.77 2wyl s LEU 213 Cb -0.11 -1.52 0.03 0.00 0.50 0.00 0.00 46.19 45.09 2wyl s LEU 213 CO 0.03 -0.11 0.62 -0.36 -1.32 0.00 0.00 176.35 175.21 2wyl s PHE 214 N 1.18 3.07 -0.47 5.38 0.08 0.28 -1.25 117.98 126.26 2wyl s PHE 214 Ca -0.03 -0.17 -0.18 0.00 0.12 0.00 0.00 56.93 56.67 2wyl s PHE 214 Cb -0.17 -3.32 0.05 0.00 -0.57 0.00 0.00 43.02 39.00 2wyl s PHE 214 CO -0.08 -0.88 0.54 0.15 -0.10 0.00 0.00 175.22 174.84 2wyl s LYS 215 N 2.72 3.11 0.30 0.44 1.02 0.62 -0.80 119.74 127.16 2wyl s LYS 215 Ca 0.20 -0.86 0.07 0.00 0.02 0.00 0.00 55.97 55.40 2wyl s LYS 215 Cb -0.15 -4.05 -0.03 0.00 -0.52 0.00 0.00 37.83 33.08 2wyl s LYS 215 CO 0.17 -1.06 0.29 0.95 -0.92 0.00 0.00 175.35 174.78 2wyl s THR 216 N 2.35 4.00 -0.49 2.17 -4.23 -0.70 -0.58 115.64 118.16 2wyl s THR 216 Ca 0.13 -1.31 0.16 0.00 -1.18 0.00 0.00 61.69 59.49 2wyl s THR 216 Cb -0.19 -3.32 0.16 0.00 1.34 0.00 0.00 72.50 70.49 2wyl s THR 216 CO 0.12 -0.24 1.49 -2.65 -0.54 0.00 0.00 174.62 172.80 2wyl n PRO 217 N -1.34 0.10 -0.00 3.99 -0.02 -1.26 -2.67 135.00 133.80 2wyl n PRO 217 Ca -0.04 0.55 0.08 0.00 -2.02 0.00 0.00 63.50 62.06 2wyl n PRO 217 Cb 0.59 -1.80 -0.10 0.00 -0.02 0.00 0.00 33.50 32.17 2wyl n PRO 217 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wyl n GLY 218 N -1.08 -0.55 0.00 -1.23 0.00 -1.26 -4.60 105.19 96.47 2wyl n GLY 218 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2wyl n GLY 218 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wyl n GLY 219 N 1.45 2.44 3.70 -0.02 0.00 -1.09 -4.26 105.19 107.41 2wyl n GLY 219 Ca 0.01 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 2wyl n GLY 219 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wyl s SER 220 N 0.00 5.12 -0.12 1.61 1.04 -1.26 -1.71 113.70 118.37 2wyl s SER 220 Ca 0.00 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.29 2wyl s SER 220 Cb 0.00 -1.25 0.02 0.00 0.10 0.00 0.00 66.02 64.89 2wyl s SER 220 CO 0.00 0.18 -0.11 -0.22 0.98 0.00 0.00 173.24 174.06 2wyl s LEU 221 N -2.32 1.47 -0.25 2.42 2.96 0.02 -2.80 118.68 120.18 2wyl s LEU 221 Ca 0.26 -0.39 -0.15 0.00 -0.22 0.00 0.00 54.13 53.64 2wyl s LEU 221 Cb -0.12 -1.00 -0.04 0.00 0.50 0.00 0.00 46.19 45.53 2wyl s LEU 221 CO 0.19 -0.07 0.37 -0.47 -1.32 0.00 0.00 176.35 175.06 2wyl s TYR 222 N 1.47 3.29 -0.15 5.38 6.14 0.04 -0.56 117.35 132.96 2wyl s TYR 222 Ca 0.02 0.47 0.01 0.00 0.64 0.00 0.00 57.07 58.21 2wyl s TYR 222 Cb -0.13 -2.55 0.00 0.00 0.42 0.00 0.00 41.96 39.70 2wyl s TYR 222 CO -0.08 -0.15 -0.17 -1.58 0.64 0.00 0.00 175.55 174.21 2wyl s HIS 223 N 1.80 2.74 -1.18 4.97 5.65 -0.34 -0.84 115.29 128.10 2wyl s HIS 223 Ca 0.16 -1.11 0.10 0.00 0.25 0.00 0.00 55.06 54.46 2wyl s HIS 223 Cb -0.15 -1.86 0.09 0.00 -1.18 0.00 0.00 32.58 29.47 2wyl s HIS 223 CO 0.09 -0.50 0.83 -1.13 -0.65 0.00 0.00 174.74 173.38 2wyl n SER 224 N 4.02 1.86 0.00 9.88 3.41 -1.18 -1.65 113.62 129.96 2wyl n SER 224 Ca -0.19 -1.43 0.00 0.00 -0.26 0.00 0.00 58.87 56.98 2wyl n SER 224 Cb 0.52 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2wyl n SER 224 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wyl n GLY 225 N 0.53 2.66 1.68 5.00 0.00 -1.26 -2.52 105.19 111.27 2wyl n GLY 225 Ca 0.06 -0.36 0.08 0.00 0.00 0.00 0.00 46.02 45.80 2wyl n GLY 225 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wyl n ASP 226 N 3.56 5.16 -4.64 1.61 -0.08 -1.26 -3.83 116.55 117.07 2wyl n ASP 226 Ca 0.00 -2.69 -0.38 0.00 -1.51 0.00 0.00 54.79 50.21 2wyl n ASP 226 Cb 0.00 -0.62 0.05 0.00 2.34 0.00 0.00 41.12 42.88 2wyl n ASP 226 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2wyl n SER 227 N 0.82 1.13 -4.55 1.67 2.88 -1.05 -4.87 113.62 109.65 2wyl n SER 227 Ca 0.26 0.86 -0.29 0.00 -1.33 0.00 0.00 58.87 58.37 2wyl n SER 227 Cb 1.03 -1.42 0.14 0.00 -0.75 0.00 0.00 64.21 63.21 2wyl n SER 227 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2wyl s HIS 228 N -1.45 2.31 0.08 0.66 3.76 -0.78 -4.70 115.29 115.17 2wyl s HIS 228 Ca 0.74 0.58 -0.30 0.00 -0.15 0.00 0.00 55.06 55.92 2wyl s HIS 228 Cb -0.43 -3.74 -0.06 0.00 1.11 0.00 0.00 32.58 29.46 2wyl s HIS 228 CO 0.48 -2.23 1.19 -0.47 -0.85 0.00 0.00 174.74 172.86 2wyl s TYR 229 N -3.67 3.45 0.06 1.40 5.04 -1.26 -4.63 117.35 117.74 2wyl s TYR 229 Ca 0.67 1.34 0.05 0.00 -2.44 0.00 0.00 57.07 56.69 2wyl s TYR 229 Cb -0.08 -3.41 -0.03 0.00 0.35 0.00 0.00 41.96 38.79 2wyl s TYR 229 CO 0.51 -1.21 -0.15 0.45 -1.34 0.00 0.00 175.55 173.81 2wyl s SER 230 N 0.89 1.82 0.38 4.32 0.15 -1.26 -5.01 113.70 114.98 2wyl s SER 230 Ca 0.57 -0.55 0.27 0.00 0.70 0.00 0.00 55.95 56.95 2wyl s SER 230 Cb -0.30 -0.09 1.27 0.00 -1.71 0.00 0.00 66.02 65.19 2wyl s SER 230 CO 0.30 0.00 1.83 0.78 1.20 0.00 0.00 173.24 177.35 2wyl h ASN 231 N 4.59 0.00 0.27 5.45 2.35 -2.02 -2.71 115.58 123.52 2wyl h ASN 231 Ca -0.40 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 2wyl h ASN 231 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.55 2wyl h ASN 231 CO 0.42 0.00 0.00 -1.22 -1.65 0.00 0.00 177.43 174.98 2wyl n TYR 232 N -2.50 0.00 -0.25 1.19 4.01 -1.26 -2.16 117.16 116.19 2wyl n TYR 232 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.71 2wyl n TYR 232 Cb 0.18 -0.20 0.14 0.00 -0.31 0.00 0.00 39.34 39.14 2wyl n TYR 232 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 2wyl h TYR 233 N 0.00 1.08 -0.13 -0.72 0.05 -1.83 -2.94 116.97 112.49 2wyl h TYR 233 Ca 0.00 -0.06 -0.06 0.00 0.05 0.00 0.00 58.73 58.67 2wyl h TYR 233 Cb 0.14 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 37.53 2wyl h TYR 233 CO 0.00 0.80 -0.18 0.00 -1.05 0.00 0.00 178.16 177.72 2wyl h ALA 234 N 1.30 1.46 -0.42 3.88 0.00 -1.50 -1.37 119.26 122.61 2wyl h ALA 234 Ca 0.26 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2wyl h ALA 234 Cb 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2wyl h ALA 234 CO -0.03 0.38 0.13 -0.22 0.00 0.00 0.00 179.25 179.52 2wyl h LYS 235 N 0.20 0.64 -0.31 0.00 3.64 -1.66 -1.54 116.57 117.54 2wyl h LYS 235 Ca 0.04 -0.14 -0.09 0.00 -1.27 0.00 0.00 60.65 59.19 2wyl h LYS 235 Cb 0.45 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 2wyl h LYS 235 CO 0.03 0.63 -0.17 0.45 -2.27 0.00 0.00 179.45 178.12 2wyl h HIS 236 N 0.53 0.60 -0.03 1.91 3.86 -1.36 -2.07 115.15 118.60 2wyl h HIS 236 Ca 0.13 -0.11 -0.10 0.00 -1.16 0.00 0.00 60.37 59.14 2wyl h HIS 236 Cb 0.26 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 2wyl h HIS 236 CO 0.01 0.69 -0.44 0.78 0.86 0.00 0.00 177.93 179.83 2wyl h GLY 237 N 0.97 0.06 1.84 2.45 0.00 -1.12 -1.01 103.07 106.26 2wyl h GLY 237 Ca 0.08 -0.06 -0.19 0.00 0.00 0.00 0.00 47.33 47.17 2wyl h GLY 237 CO 0.04 0.05 -0.85 3.43 0.00 0.00 0.00 176.54 179.22 2wyl h ASN 238 N 0.05 0.19 0.00 0.19 2.35 -0.95 -3.36 115.58 114.04 2wyl h ASN 238 Ca 0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 2wyl h ASN 238 Cb 0.80 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.11 2wyl h ASN 238 CO 0.06 0.95 -0.98 -0.62 -1.65 0.00 0.00 177.43 175.19 2wyl n GLU 239 N -3.65 0.63 -4.08 0.81 1.02 -0.81 -4.98 120.64 109.58 2wyl n GLU 239 Ca -0.03 -0.01 -0.09 0.00 -0.02 0.00 0.00 57.16 57.01 2wyl n GLU 239 Cb 0.79 -1.41 -0.10 0.00 -0.02 0.00 0.00 31.44 30.69 2wyl n GLU 239 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2wyl s HIS 240 N -2.86 0.55 -0.36 -0.32 3.76 -0.39 -5.07 115.29 110.59 2wyl s HIS 240 Ca 0.06 -0.88 -0.17 0.00 -0.15 0.00 0.00 55.06 53.92 2wyl s HIS 240 Cb 0.14 -0.37 -0.00 0.00 1.11 0.00 0.00 32.58 33.46 2wyl s HIS 240 CO 0.79 -0.27 0.47 -1.14 -0.85 0.00 0.00 174.74 173.75 2wyl s GLN 241 N -3.18 3.53 -0.16 1.40 0.74 -1.26 -4.57 119.66 116.15 2wyl s GLN 241 Ca 0.02 -0.31 -0.02 0.00 0.05 0.00 0.00 55.36 55.10 2wyl s GLN 241 Cb 0.02 -3.83 -0.01 0.00 1.10 0.00 0.00 33.01 30.28 2wyl s GLN 241 CO -0.06 -0.66 -0.09 0.42 -0.55 0.00 0.00 175.29 174.35 2wyl s ILE 242 N 2.29 3.28 -0.14 -2.34 1.01 -1.26 -4.72 121.20 119.32 2wyl s ILE 242 Ca 0.16 -0.56 -0.13 0.00 0.00 0.00 0.00 60.65 60.12 2wyl s ILE 242 Cb -0.16 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 2wyl s ILE 242 CO 0.13 0.49 -0.26 0.47 0.00 0.00 0.00 174.94 175.77 2wyl n ASP 243 N 3.89 1.52 -4.46 3.58 8.00 -1.23 -3.80 116.55 124.05 2wyl n ASP 243 Ca -0.18 0.30 -0.34 0.00 0.71 0.00 0.00 54.79 55.28 2wyl n ASP 243 Cb 0.52 -0.70 -0.13 0.00 -0.02 0.00 0.00 41.12 40.79 2wyl n ASP 243 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wyl s VAL 244 N -2.44 3.72 -0.12 2.53 1.01 -1.12 -0.71 120.40 123.27 2wyl s VAL 244 Ca -0.22 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.38 2wyl s VAL 244 Cb 0.03 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.78 2wyl s VAL 244 CO 0.32 0.48 -0.23 0.00 0.00 0.00 0.00 175.10 175.68 2wyl s ALA 245 N 0.54 2.20 -0.10 5.51 0.00 0.67 -0.78 121.76 129.79 2wyl s ALA 245 Ca -0.04 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 50.87 2wyl s ALA 245 Cb -0.15 -0.92 -0.03 0.00 0.00 0.00 0.00 23.12 22.03 2wyl s ALA 245 CO 0.03 0.10 -0.04 -0.51 0.00 0.00 0.00 175.76 175.33 2wyl s LEU 246 N 0.62 3.28 -0.03 0.00 1.43 -0.02 -0.30 118.68 123.66 2wyl s LEU 246 Ca -0.12 -0.03 -0.07 0.00 -1.03 0.00 0.00 54.13 52.88 2wyl s LEU 246 Cb -0.17 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.32 2wyl s LEU 246 CO 0.03 0.30 0.16 -0.83 0.23 0.00 0.00 176.35 176.24 2wyl s GLY 247 N -0.41 -0.05 -0.47 -3.19 0.00 -1.08 -3.09 107.32 99.03 2wyl s GLY 247 Ca 0.07 0.20 -0.27 0.00 0.00 0.00 0.00 44.72 44.71 2wyl s GLY 247 CO 0.02 0.09 1.84 -0.56 0.00 0.00 0.00 173.10 174.50 2wyl s SER 248 N -0.65 5.54 0.16 1.64 0.01 -1.25 -1.79 113.70 117.36 2wyl s SER 248 Ca -0.07 0.81 0.03 0.00 1.31 0.00 0.00 55.95 58.03 2wyl s SER 248 Cb -0.04 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 2wyl s SER 248 CO 0.01 -2.07 0.27 -0.47 0.41 0.00 0.00 173.24 171.38 2wyl s TYR 249 N 8.13 3.43 0.00 2.43 5.04 0.68 -4.77 117.35 132.30 2wyl s TYR 249 Ca 0.74 0.09 0.00 0.00 -2.44 0.00 0.00 57.07 55.46 2wyl s TYR 249 Cb -0.17 -1.64 0.00 0.00 0.35 0.00 0.00 41.96 40.50 2wyl s TYR 249 CO 0.27 0.51 0.00 0.41 -1.34 0.00 0.00 175.55 175.40 2wyl n GLY 250 N -0.57 2.54 3.54 8.97 0.00 -1.26 -2.18 105.19 116.23 2wyl n GLY 250 Ca -0.07 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 2wyl n GLY 250 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wyl s GLU 251 N -2.00 3.43 0.06 1.61 2.56 -0.86 -4.63 118.70 118.87 2wyl s GLU 251 Ca 0.00 -0.04 -0.31 0.00 0.00 0.00 0.00 54.97 54.62 2wyl s GLU 251 Cb 0.00 -3.98 -0.07 0.00 2.00 0.00 0.00 34.13 32.08 2wyl s GLU 251 CO 0.00 -1.32 1.48 -0.80 -0.56 0.00 0.00 175.26 174.06 2wyl s ASN 252 N 2.48 6.75 0.88 -1.70 0.01 -1.26 -4.36 114.94 117.75 2wyl s ASN 252 Ca 0.34 2.31 -0.10 0.00 -0.71 0.00 0.00 52.86 54.69 2wyl s ASN 252 Cb -0.11 -2.57 0.13 0.00 0.41 0.00 0.00 41.25 39.11 2wyl s ASN 252 CO 0.23 -0.76 1.14 -2.84 -1.51 0.00 0.00 177.10 173.36 2wyl s PRO 253 N 2.09 1.28 0.10 -0.60 0.02 -1.26 -4.91 135.00 131.72 2wyl s PRO 253 Ca 0.67 1.47 -0.35 0.00 0.02 0.00 0.00 61.00 62.82 2wyl s PRO 253 Cb -0.36 -1.76 -0.14 0.00 0.02 0.00 0.00 34.50 32.25 2wyl s PRO 253 CO 0.29 -2.42 1.56 -2.13 -0.33 0.00 0.00 177.00 173.97 2wyl n ARG 254 N -4.08 1.88 -1.04 5.54 0.63 -1.26 -1.96 116.66 116.37 2wyl n ARG 254 Ca 0.11 0.68 -0.01 0.00 -0.92 0.00 0.00 57.85 57.71 2wyl n ARG 254 Cb 0.52 -2.42 -0.01 0.00 0.45 0.00 0.00 32.46 31.00 2wyl n ARG 254 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wyl n GLY 255 N 3.33 0.50 3.02 5.14 0.00 -1.26 -5.03 105.19 110.89 2wyl n GLY 255 Ca 0.18 -0.65 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 2wyl n GLY 255 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wyl s ILE 256 N -2.01 0.61 -0.34 -0.61 1.01 -0.83 -5.11 121.20 113.92 2wyl s ILE 256 Ca 0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 60.07 2wyl s ILE 256 Cb 0.00 -0.56 0.12 0.00 0.01 0.00 0.00 42.46 42.03 2wyl s ILE 256 CO 0.00 0.00 0.17 -0.89 0.00 0.00 0.00 174.94 174.22 2wyl s THR 257 N -0.54 0.45 0.00 2.92 2.01 -1.26 -4.52 115.64 114.70 2wyl s THR 257 Ca -0.01 -1.51 0.00 0.00 0.31 0.00 0.00 61.69 60.48 2wyl s THR 257 Cb -0.05 -1.35 0.00 0.00 0.01 0.00 0.00 72.50 71.11 2wyl s THR 257 CO 0.00 -0.83 0.00 -0.67 -0.69 0.00 0.00 174.62 172.43 2wyl n ASP 258 N 4.48 2.75 0.00 3.53 2.03 -1.26 -5.09 116.55 122.99 2wyl n ASP 258 Ca 0.03 -0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.25 2wyl n ASP 258 Cb 0.39 0.74 0.00 0.00 -0.72 0.00 0.00 41.12 41.53 2wyl n ASP 258 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2wyl n LYS 259 N -1.01 1.12 -4.48 -0.67 4.76 -1.26 -4.84 118.16 111.78 2wyl n LYS 259 Ca 0.00 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.21 2wyl n LYS 259 Cb 0.00 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.10 2wyl n LYS 259 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2wyl s THR 261 N 3.89 0.86 0.35 -0.18 -4.23 -1.26 -4.86 115.64 110.22 2wyl s THR 261 Ca 0.00 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 2wyl s THR 261 Cb 0.00 -2.55 0.18 0.00 1.34 0.00 0.00 72.50 71.47 2wyl s THR 261 CO 0.00 0.00 1.91 0.77 -0.54 0.00 0.00 174.62 176.76 2wyl h SER 262 N 1.95 0.50 -0.18 3.99 4.64 -1.94 -2.75 113.55 119.76 2wyl h SER 262 Ca -0.38 -0.07 -0.15 0.00 -0.47 0.00 0.00 61.79 60.71 2wyl h SER 262 Cb 1.26 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 2wyl h SER 262 CO 0.63 0.52 -0.43 0.00 -0.87 0.00 0.00 176.83 176.68 2wyl h ALA 263 N 1.55 0.69 0.00 5.18 0.00 -1.96 -3.22 119.26 121.50 2wyl h ALA 263 Ca 0.12 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2wyl h ALA 263 Cb 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2wyl h ALA 263 CO -0.00 0.67 0.00 -0.25 0.00 0.00 0.00 179.25 179.67 2wyl n ASP 264 N -4.03 0.83 0.00 0.00 8.00 -1.04 -2.02 116.55 118.30 2wyl n ASP 264 Ca -0.02 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.66 2wyl n ASP 264 Cb 0.55 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 2wyl n ASP 264 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wyl n LEU 266 N 1.37 0.00 -0.79 0.64 4.77 -1.22 -4.61 117.00 117.16 2wyl n LEU 266 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2wyl n LEU 266 Cb 0.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2wyl n LEU 266 CO 0.00 0.00 0.04 0.54 -1.33 0.00 0.00 177.39 176.64 2wyl n ARG 267 N 0.00 0.10 0.00 3.23 1.74 -0.86 -1.55 116.66 119.32 2wyl n ARG 267 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wyl n ARG 267 Cb 0.00 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 2wyl n ARG 267 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wyl n GLY 269 N 0.74 0.00 0.23 -0.13 0.00 -1.26 -1.25 105.19 103.52 2wyl n GLY 269 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2wyl n GLY 269 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2wyl h GLU 270 N 0.00 0.75 -0.19 1.61 4.81 -1.65 -2.42 114.58 117.48 2wyl h GLU 270 Ca 0.00 -0.31 -0.13 0.00 -0.13 0.00 0.00 59.36 58.80 2wyl h GLU 270 Cb 0.00 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 2wyl h GLU 270 CO 0.00 0.92 -0.42 0.00 -0.73 0.00 0.00 179.01 178.78 2wyl h ALA 271 N 0.81 0.93 -0.01 2.92 0.00 -1.44 -3.05 119.26 119.42 2wyl h ALA 271 Ca 0.09 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2wyl h ALA 271 Cb 0.66 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2wyl h ALA 271 CO 0.05 0.63 -0.18 1.28 0.00 0.00 0.00 179.25 181.03 2wyl n LEU 272 N -4.02 0.71 -3.95 0.00 4.77 -1.22 -3.63 117.00 109.65 2wyl n LEU 272 Ca -0.02 -0.10 -0.29 0.00 -0.03 0.00 0.00 56.01 55.57 2wyl n LEU 272 Cb 0.51 -0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.45 2wyl n LEU 272 CO 0.44 0.13 -0.00 0.59 -1.33 0.00 0.00 177.39 177.22 2wyl n ASN 273 N -0.84 -3.19 -4.84 -1.43 5.03 -1.02 -4.34 115.26 104.62 2wyl n ASN 273 Ca 0.13 -0.87 -0.30 0.00 0.87 0.00 0.00 54.58 54.41 2wyl n ASN 273 Cb 0.31 -3.54 0.08 0.00 -1.02 0.00 0.00 39.78 35.61 2wyl n ASN 273 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wyl s ALA 274 N -3.46 2.46 -0.08 5.41 0.00 -0.94 -4.48 121.76 120.67 2wyl s ALA 274 Ca 0.47 -0.36 0.14 0.00 0.00 0.00 0.00 51.96 52.22 2wyl s ALA 274 Cb -0.24 -3.05 -0.21 0.00 0.00 0.00 0.00 23.12 19.62 2wyl s ALA 274 CO 0.86 -1.60 0.20 1.63 0.00 0.00 0.00 175.76 176.85 2wyl n LYS 275 N -3.32 1.04 -4.04 0.00 4.76 0.12 -3.92 118.16 112.80 2wyl n LYS 275 Ca 0.07 -0.08 -0.17 0.00 -2.87 0.00 0.00 58.31 55.26 2wyl n LYS 275 Cb 0.58 -1.37 -0.16 0.00 -1.84 0.00 0.00 35.03 32.23 2wyl n LYS 275 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2wyl s VAL 276 N -2.73 0.31 -0.19 -0.18 1.01 -0.13 -1.32 120.40 117.17 2wyl s VAL 276 Ca -0.06 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.89 2wyl s VAL 276 Cb 0.07 -0.35 0.03 0.00 0.00 0.00 0.00 36.38 36.13 2wyl s VAL 276 CO 0.63 0.15 -0.16 -0.69 0.00 0.00 0.00 175.10 175.04 2wyl s VAL 277 N 0.70 1.93 -0.17 2.92 1.01 -0.31 -0.24 120.40 126.24 2wyl s VAL 277 Ca -0.08 -1.04 -0.00 0.00 0.00 0.00 0.00 61.98 60.86 2wyl s VAL 277 Cb -0.11 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.42 2wyl s VAL 277 CO -0.01 0.35 -0.15 -0.63 0.00 0.00 0.00 175.10 174.66 2wyl s ILE 278 N 1.30 2.60 0.32 2.22 1.01 0.58 -1.55 121.20 127.70 2wyl s ILE 278 Ca 0.01 -0.78 -0.27 0.00 0.00 0.00 0.00 60.65 59.62 2wyl s ILE 278 Cb -0.15 -2.11 -0.09 0.00 0.01 0.00 0.00 42.46 40.11 2wyl s ILE 278 CO -0.10 0.51 1.02 -2.16 0.00 0.00 0.00 174.94 174.21 2wyl s PRO 279 N 1.06 4.50 0.32 2.79 0.04 -1.26 -2.65 135.00 139.80 2wyl s PRO 279 Ca -0.01 1.55 0.03 0.00 0.04 0.00 0.00 61.00 62.61 2wyl s PRO 279 Cb -0.15 -2.89 -0.02 0.00 0.04 0.00 0.00 34.50 31.48 2wyl s PRO 279 CO -0.04 0.16 0.33 -0.59 0.04 0.00 0.00 177.00 176.89 2wyl s PHE 280 N -1.44 1.48 0.00 0.56 -0.00 -0.74 -4.69 117.98 113.16 2wyl s PHE 280 Ca 0.50 -1.52 0.00 0.00 -0.00 0.00 0.00 56.93 55.91 2wyl s PHE 280 Cb -0.25 -0.50 0.00 0.00 -0.00 0.00 0.00 43.02 42.27 2wyl s PHE 280 CO 0.31 -0.94 0.00 1.58 -0.00 0.00 0.00 175.22 176.17 2wyl n HIS 281 N -0.57 0.00 1.12 3.49 -0.00 -0.54 -0.23 115.22 118.49 2wyl n HIS 281 Ca 0.05 0.00 0.13 0.00 0.46 0.00 0.00 57.72 58.36 2wyl n HIS 281 Cb 0.62 0.00 0.64 0.00 -0.12 0.00 0.00 29.99 31.13 2wyl n HIS 281 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2wyl n HIS 282 N -2.00 0.00 0.02 1.57 1.44 -0.93 -3.67 115.22 111.66 2wyl n HIS 282 Ca 0.00 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.61 2wyl n HIS 282 Cb 0.00 -0.39 -0.13 0.00 0.12 0.00 0.00 29.99 29.59 2wyl n HIS 282 CO 0.00 0.00 0.00 0.38 -2.81 0.00 0.00 176.34 173.91 2wyl h ASP 283 N 0.00 0.09 0.38 4.39 2.03 -1.88 -3.37 116.42 118.06 2wyl h ASP 283 Ca 0.00 -0.14 -0.32 0.00 -0.73 0.00 0.00 57.03 55.84 2wyl h ASP 283 Cb 0.36 -0.03 0.02 0.00 -0.83 0.00 0.00 39.33 38.85 2wyl h ASP 283 CO 0.00 1.12 -1.47 -0.29 -1.03 0.00 0.00 179.24 177.57 2wyl h ILE 284 N 0.02 1.27 -3.33 4.15 6.09 -1.93 -3.35 117.51 120.43 2wyl h ILE 284 Ca -0.19 -2.79 -0.65 0.00 -1.37 0.00 0.00 64.86 59.87 2wyl h ILE 284 Cb 1.93 2.93 -0.24 0.00 0.47 0.00 0.00 36.82 41.92 2wyl h ILE 284 CO 0.11 0.84 -0.71 0.26 -3.07 0.00 0.00 178.15 175.59 2wyl s TRP 285 N -2.61 2.94 0.17 2.19 0.23 -1.26 -0.96 118.94 119.63 2wyl s TRP 285 Ca -0.09 -0.50 -0.20 0.00 -2.03 0.00 0.00 56.10 53.28 2wyl s TRP 285 Cb 0.05 -1.94 0.10 0.00 0.03 0.00 0.00 33.47 31.71 2wyl s TRP 285 CO 0.90 -0.17 1.62 0.66 0.96 0.00 0.00 176.95 180.93 2wyl h SER 286 N 6.89 -0.82 0.74 2.95 4.64 -1.52 -2.16 113.55 124.28 2wyl h SER 286 Ca -0.30 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 2wyl h SER 286 Cb 1.20 0.42 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 2wyl h SER 286 CO 0.60 -0.26 0.00 -0.55 -0.87 0.00 0.00 176.83 175.74 2wyl h ASN 287 N -0.17 0.00 -0.43 4.97 -1.07 -1.86 -2.62 115.58 114.40 2wyl h ASN 287 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.57 2wyl h ASN 287 Cb 0.47 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.72 2wyl h ASN 287 CO -0.51 0.00 0.00 0.49 0.07 0.00 0.00 177.43 177.48 2wyl n PHE 288 N -2.81 1.36 -1.62 4.14 3.01 -0.83 -4.61 117.46 116.10 2wyl n PHE 288 Ca 0.00 -0.75 -0.51 0.00 1.01 0.00 0.00 57.45 57.20 2wyl n PHE 288 Cb 0.24 -0.34 -0.06 0.00 -0.01 0.00 0.00 39.48 39.30 2wyl n PHE 288 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 2wyl n GLN 289 N 0.21 1.63 -4.24 -1.08 7.27 -0.99 -2.03 117.38 118.15 2wyl n GLN 289 Ca 0.23 0.56 -0.18 0.00 0.07 0.00 0.00 57.00 57.68 2wyl n GLN 289 Cb 0.95 -2.51 -0.11 0.00 2.41 0.00 0.00 30.24 30.98 2wyl n GLN 289 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2wyl s ALA 290 N 5.13 1.52 -0.43 1.69 0.00 -1.26 -4.41 121.76 123.99 2wyl s ALA 290 Ca 0.99 -1.29 -0.18 0.00 0.00 0.00 0.00 51.96 51.48 2wyl s ALA 290 Cb -0.80 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 22.25 2wyl s ALA 290 CO 0.53 0.12 0.50 0.34 0.00 0.00 0.00 175.76 177.25 2wyl s ASP 291 N -2.41 6.23 0.58 0.00 2.15 -1.26 -4.94 116.67 117.01 2wyl s ASP 291 Ca 0.09 -0.60 0.33 0.00 0.43 0.00 0.00 52.55 52.80 2wyl s ASP 291 Cb -0.05 -2.25 1.78 0.00 -0.30 0.00 0.00 42.92 42.09 2wyl s ASP 291 CO 0.03 -0.65 2.18 -0.65 -0.17 0.00 0.00 175.17 175.92 2wyl h PRO 292 N 8.78 0.00 -0.22 4.34 0.11 -1.99 -2.70 132.00 140.31 2wyl h PRO 292 Ca -0.26 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.91 2wyl h PRO 292 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2wyl h PRO 292 CO 0.83 0.05 0.17 1.96 -0.21 0.00 0.00 178.00 180.80 2wyl h GLN 293 N 0.00 0.00 -0.94 1.05 1.08 -2.01 -1.66 115.11 112.63 2wyl h GLN 293 Ca -0.00 0.00 0.22 0.00 -1.45 0.00 0.00 58.65 57.42 2wyl h GLN 293 Cb 0.19 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 27.50 2wyl h GLN 293 CO 0.01 0.00 0.49 0.93 -0.95 0.00 0.00 178.83 179.30 2wyl h GLU 294 N 0.00 0.50 -0.35 1.46 5.08 -1.91 -0.75 114.58 118.61 2wyl h GLU 294 Ca 0.11 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2wyl h GLU 294 Cb 0.44 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2wyl h GLU 294 CO -0.00 0.33 0.18 0.82 -1.00 0.00 0.00 179.01 179.34 2wyl h ILE 295 N 0.52 1.15 -0.03 3.13 2.04 -1.52 -2.23 117.51 120.57 2wyl h ILE 295 Ca 0.58 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 66.04 2wyl h ILE 295 Cb 1.07 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.93 2wyl h ILE 295 CO -0.48 0.15 0.01 -0.09 0.00 0.00 0.00 178.15 177.75 2wyl h ARG 296 N 0.43 0.04 -0.36 2.37 9.65 -1.32 -0.85 114.38 124.34 2wyl h ARG 296 Ca 0.12 -0.00 0.03 0.00 -1.10 0.00 0.00 59.98 59.02 2wyl h ARG 296 Cb 0.08 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.62 2wyl h ARG 296 CO -0.02 0.11 0.18 0.28 2.80 0.00 0.00 179.97 183.32 2wyl h VAL 297 N -0.05 0.98 -0.57 0.20 2.07 -1.13 0.14 116.25 117.88 2wyl h VAL 297 Ca 0.01 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 2wyl h VAL 297 Cb 0.09 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 2wyl h VAL 297 CO -0.00 0.07 0.06 -0.07 0.02 0.00 0.00 177.57 177.65 2wyl h LEU 298 N 0.37 0.90 -0.49 2.57 3.38 -1.38 -2.91 115.31 117.74 2wyl h LEU 298 Ca 0.15 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.93 2wyl h LEU 298 Cb 0.07 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2wyl h LEU 298 CO -0.11 0.92 0.30 -0.25 0.09 0.00 0.00 178.44 179.39 2wyl h TRP 299 N 0.88 0.56 0.00 1.13 7.01 -0.38 -0.74 115.95 124.40 2wyl h TRP 299 Ca 0.17 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.19 2wyl h TRP 299 Cb 0.43 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 27.31 2wyl h TRP 299 CO 0.03 0.33 0.00 0.39 -2.79 0.00 0.00 178.44 176.39 2wyl n GLU 300 N -4.80 0.00 0.00 2.65 -0.58 -0.03 -0.36 120.64 117.51 2wyl n GLU 300 Ca 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2wyl n GLU 300 Cb 0.06 -1.04 0.00 0.00 -0.57 0.00 0.00 31.44 29.89 2wyl n GLU 300 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wyl n LYS 302 N 0.55 0.00 -0.22 3.49 5.02 -0.29 -4.69 118.16 122.02 2wyl n LYS 302 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.30 2wyl n LYS 302 Cb 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 35.03 35.14 2wyl n LYS 302 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 2wyl h LYS 303 N 0.00 0.47 -0.05 1.97 2.10 -0.92 -1.21 116.57 118.92 2wyl h LYS 303 Ca 0.00 -0.03 -0.14 0.00 -2.00 0.00 0.00 60.65 58.48 2wyl h LYS 303 Cb 0.00 -0.11 0.01 0.00 -0.90 0.00 0.00 32.23 31.23 2wyl h LYS 303 CO 0.00 0.31 -0.51 -0.44 -2.00 0.00 0.00 179.45 176.81 2wyl h ASP 304 N 0.48 0.54 -0.34 7.07 3.32 -1.84 -0.76 116.42 124.90 2wyl h ASP 304 Ca 0.33 -0.69 -0.09 0.00 0.02 0.00 0.00 57.03 56.60 2wyl h ASP 304 Cb 0.40 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 2wyl h ASP 304 CO -0.30 1.16 -0.09 -0.09 -1.72 0.00 0.00 179.24 178.20 2wyl h ARG 305 N -0.03 0.77 -0.38 3.56 2.43 -1.89 -3.03 114.38 115.81 2wyl h ARG 305 Ca -0.05 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 2wyl h ARG 305 Cb 1.19 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 2wyl h ARG 305 CO 0.10 0.83 0.00 1.28 -1.51 0.00 0.00 179.97 180.68 2wyl n LEU 306 N -4.18 3.21 -3.93 3.80 4.77 -0.48 -4.99 117.00 115.20 2wyl n LEU 306 Ca 0.02 -1.62 -0.26 0.00 -0.03 0.00 0.00 56.01 54.11 2wyl n LEU 306 Cb 0.35 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 2wyl n LEU 306 CO 0.42 0.73 -0.17 0.29 -1.33 0.00 0.00 177.39 177.33 2wyl n LYS 307 N 1.18 -3.70 -1.69 3.23 5.02 -0.40 -4.88 118.16 116.92 2wyl n LYS 307 Ca 0.17 0.45 -0.44 0.00 -2.02 0.00 0.00 58.31 56.47 2wyl n LYS 307 Cb 0.52 -4.74 -0.03 0.00 -0.02 0.00 0.00 35.03 30.76 2wyl n LYS 307 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2wyl n TYR 308 N -4.39 2.48 -0.73 2.13 4.01 -0.55 -4.89 117.16 115.22 2wyl n TYR 308 Ca -0.26 0.21 0.09 0.00 -0.16 0.00 0.00 57.90 57.78 2wyl n TYR 308 Cb 0.66 -2.58 0.38 0.00 -0.31 0.00 0.00 39.34 37.49 2wyl n TYR 308 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wyl n GLY 309 N 3.33 2.84 3.28 2.72 0.00 -1.26 -4.96 105.19 111.14 2wyl n GLY 309 Ca 0.15 -0.89 -0.15 0.00 0.00 0.00 0.00 46.02 45.13 2wyl n GLY 309 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wyl s PHE 310 N -2.19 1.38 0.07 1.61 -0.12 -1.25 -4.47 117.98 113.02 2wyl s PHE 310 Ca 0.53 -0.91 0.10 0.00 -0.05 0.00 0.00 56.93 56.59 2wyl s PHE 310 Cb 0.37 -0.78 -0.03 0.00 -0.63 0.00 0.00 43.02 41.95 2wyl s PHE 310 CO 0.22 -0.07 -0.26 0.15 -0.05 0.00 0.00 175.22 175.21 2wyl s LYS 311 N -3.85 1.65 0.70 1.99 1.02 -0.43 -4.97 119.74 115.85 2wyl s LYS 311 Ca 0.24 -1.18 -0.11 0.00 0.02 0.00 0.00 55.97 54.94 2wyl s LYS 311 Cb 0.05 -1.93 0.01 0.00 -0.52 0.00 0.00 37.83 35.45 2wyl s LYS 311 CO 0.05 0.48 1.07 -1.25 -0.92 0.00 0.00 175.35 174.79 2wyl s PRO 312 N -1.50 2.88 -0.19 -1.68 0.04 -1.26 -1.16 135.00 132.13 2wyl s PRO 312 Ca 0.12 0.71 -0.06 0.00 0.04 0.00 0.00 61.00 61.81 2wyl s PRO 312 Cb -0.10 -2.00 0.09 0.00 0.04 0.00 0.00 34.50 32.53 2wyl s PRO 312 CO 0.03 -1.07 0.40 0.12 0.04 0.00 0.00 177.00 176.52 2wyl s PHE 313 N -3.18 -0.75 -0.39 0.56 5.36 -0.60 -4.33 117.98 114.65 2wyl s PHE 313 Ca 0.58 1.42 -0.21 0.00 -0.96 0.00 0.00 56.93 57.77 2wyl s PHE 313 Cb -0.13 0.25 0.01 0.00 -0.34 0.00 0.00 43.02 42.81 2wyl s PHE 313 CO 0.54 -0.48 0.65 0.42 -1.46 0.00 0.00 175.22 174.89 2wyl s ILE 314 N 2.59 4.85 0.67 3.12 1.01 0.04 -4.11 121.20 129.37 2wyl s ILE 314 Ca -0.01 0.41 -0.04 0.00 0.00 0.00 0.00 60.65 61.02 2wyl s ILE 314 Cb -0.12 -4.14 0.07 0.00 0.01 0.00 0.00 42.46 38.28 2wyl s ILE 314 CO -0.12 -0.44 0.95 0.86 0.00 0.00 0.00 174.94 176.19 2wyl s TRP 315 N 2.80 2.62 0.03 3.97 -0.11 -1.26 -1.56 118.94 125.42 2wyl s TRP 315 Ca 0.24 0.18 0.05 0.00 1.22 0.00 0.00 56.10 57.79 2wyl s TRP 315 Cb -0.14 -3.08 -0.02 0.00 -1.50 0.00 0.00 33.47 28.73 2wyl s TRP 315 CO 0.17 -1.36 -0.13 -0.65 -4.62 0.00 0.00 176.95 170.35 2wyl s GLN 316 N -5.12 0.93 0.22 5.86 -1.52 -1.26 -4.90 119.66 113.87 2wyl s GLN 316 Ca 0.61 -0.69 -0.31 0.00 -1.95 0.00 0.00 55.36 53.02 2wyl s GLN 316 Cb -0.09 -0.92 -0.11 0.00 -0.22 0.00 0.00 33.01 31.66 2wyl s GLN 316 CO 0.43 0.23 1.64 0.08 -0.25 0.00 0.00 175.29 177.42 2wyl s VAL 317 N -0.75 2.23 0.00 1.09 1.01 -1.26 -0.89 120.40 121.83 2wyl s VAL 317 Ca 0.02 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.17 2wyl s VAL 317 Cb -0.07 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.20 2wyl s VAL 317 CO 0.01 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.74 2wyl n GLY 318 N 3.38 1.77 3.82 4.51 0.00 0.14 -5.00 105.19 113.81 2wyl n GLY 318 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 2wyl n GLY 318 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wyl s GLY 319 N -2.03 1.98 0.05 -0.02 0.00 -0.07 -4.73 107.32 102.51 2wyl s GLY 319 Ca 0.00 0.24 0.02 0.00 0.00 0.00 0.00 44.72 44.97 2wyl s GLY 319 CO 0.00 0.54 0.09 1.25 0.00 0.00 0.00 173.10 174.97 2wyl s LYS 320 N -4.35 2.97 -0.05 2.90 2.20 -1.26 -1.98 119.74 120.17 2wyl s LYS 320 Ca 0.60 -0.62 0.03 0.00 -0.36 0.00 0.00 55.97 55.63 2wyl s LYS 320 Cb -0.14 -2.78 0.01 0.00 -1.51 0.00 0.00 37.83 33.41 2wyl s LYS 320 CO 0.40 0.59 -0.12 0.12 -0.36 0.00 0.00 175.35 175.98 2wyl s PHE 321 N -1.34 1.33 -0.22 4.03 2.19 -1.26 -5.00 117.98 117.71 2wyl s PHE 321 Ca 0.28 -0.43 -0.02 0.00 0.33 0.00 0.00 56.93 57.09 2wyl s PHE 321 Cb -0.12 -0.96 0.01 0.00 -1.31 0.00 0.00 43.02 40.64 2wyl s PHE 321 CO 0.20 -0.20 -0.09 0.99 1.83 0.00 0.00 175.22 177.95 2wyl s THR 322 N 0.43 2.91 0.04 0.12 2.01 -1.26 -4.39 115.64 115.49 2wyl s THR 322 Ca -0.09 -0.76 -0.22 0.00 0.31 0.00 0.00 61.69 60.93 2wyl s THR 322 Cb -0.13 -2.35 -0.06 0.00 0.01 0.00 0.00 72.50 69.97 2wyl s THR 322 CO 0.02 0.38 0.64 0.86 -0.69 0.00 0.00 174.62 175.83 2wyl s TRP 323 N 1.39 3.75 -2.37 4.92 -0.11 -0.80 -0.07 118.94 125.65 2wyl s TRP 323 Ca 0.04 1.31 0.21 0.00 1.22 0.00 0.00 56.10 58.89 2wyl s TRP 323 Cb -0.15 -2.64 0.58 0.00 -1.50 0.00 0.00 33.47 29.77 2wyl s TRP 323 CO -0.06 0.41 1.47 -0.35 -4.62 0.00 0.00 176.95 173.80 2wyl n PRO 324 N 2.39 2.08 -0.34 5.86 -0.04 -1.26 -2.26 135.00 141.43 2wyl n PRO 324 Ca -0.07 -1.63 0.07 0.00 -0.04 0.00 0.00 63.50 61.83 2wyl n PRO 324 Cb 0.51 -1.44 0.26 0.00 -0.04 0.00 0.00 33.50 32.78 2wyl n PRO 324 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2wyl h LEU 325 N 3.23 0.89 -1.55 1.53 4.07 -1.82 -2.42 115.31 119.25 2wyl h LEU 325 Ca 0.00 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.00 2wyl h LEU 325 Cb 0.71 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.31 2wyl h LEU 325 CO 0.00 0.49 0.00 0.47 -1.08 0.00 0.00 178.44 178.32 2wyl n ASP 326 N -4.59 2.32 0.27 -0.43 8.00 0.91 -4.58 116.55 118.44 2wyl n ASP 326 Ca 0.18 -1.82 0.12 0.00 0.71 0.00 0.00 54.79 53.97 2wyl n ASP 326 Cb 0.35 -0.16 0.74 0.00 -0.02 0.00 0.00 41.12 42.03 2wyl n ASP 326 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 2wyl h LYS 327 N 3.04 0.00 -0.38 -1.24 2.10 -1.63 -2.66 116.57 115.79 2wyl h LYS 327 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2wyl h LYS 327 Cb 0.67 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 2wyl h LYS 327 CO 0.00 0.09 0.00 -0.25 -2.00 0.00 0.00 179.45 177.29 2wyl n ASP 328 N -3.87 3.09 0.17 7.07 8.00 -1.26 -4.66 116.55 125.10 2wyl n ASP 328 Ca -0.02 -1.92 0.04 0.00 0.71 0.00 0.00 54.79 53.59 2wyl n ASP 328 Cb 0.18 -0.25 0.28 0.00 -0.02 0.00 0.00 41.12 41.31 2wyl n ASP 328 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 2wyl h ASN 329 N 2.96 0.00 0.00 -2.24 4.21 -1.80 -3.47 115.58 115.24 2wyl h ASN 329 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2wyl h ASN 329 Cb 0.79 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.99 2wyl h ASN 329 CO 0.00 0.44 0.00 0.49 -1.29 0.00 0.00 177.43 177.07 2wyl n PHE 330 N -3.60 0.00 -4.18 1.19 3.72 -1.26 -4.78 117.46 108.55 2wyl n PHE 330 Ca -0.00 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.18 2wyl n PHE 330 Cb 0.54 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.92 2wyl n PHE 330 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2wyl s GLU 331 N 0.00 0.97 0.39 -1.08 2.02 -1.26 -0.78 118.70 118.95 2wyl s GLU 331 Ca 0.00 -0.14 -0.23 0.00 0.02 0.00 0.00 54.97 54.62 2wyl s GLU 331 Cb 0.00 -0.97 -0.10 0.00 0.10 0.00 0.00 34.13 33.16 2wyl s GLU 331 CO 0.00 -0.09 0.96 -0.47 0.02 0.00 0.00 175.26 175.68 2wyl s TYR 332 N 1.00 3.45 0.01 1.61 5.04 -0.60 -4.97 117.35 122.88 2wyl s TYR 332 Ca -0.10 1.68 0.02 0.00 -2.44 0.00 0.00 57.07 56.23 2wyl s TYR 332 Cb -0.14 -2.91 -0.01 0.00 0.35 0.00 0.00 41.96 39.25 2wyl s TYR 332 CO -0.00 -0.04 -0.06 -1.58 -1.34 0.00 0.00 175.55 172.52 2wyl s HIS 333 N -1.91 0.55 0.70 4.97 5.65 -1.26 -4.84 115.29 119.14 2wyl s HIS 333 Ca 0.57 -0.23 -0.16 0.00 0.25 0.00 0.00 55.06 55.49 2wyl s HIS 333 Cb -0.14 -0.34 0.02 0.00 -1.18 0.00 0.00 32.58 30.94 2wyl s HIS 333 CO 0.18 -0.03 1.20 0.71 -0.65 0.00 0.00 174.74 176.15 2wyl s TYR 334 N -0.56 2.17 -0.13 3.88 2.02 -1.26 -4.92 117.35 118.54 2wyl s TYR 334 Ca -0.02 1.58 -0.38 0.00 -0.37 0.00 0.00 57.07 57.88 2wyl s TYR 334 Cb -0.05 -3.44 -0.15 0.00 -0.40 0.00 0.00 41.96 37.92 2wyl s TYR 334 CO 0.00 -2.45 1.66 -2.30 -1.57 0.00 0.00 175.55 170.88 2wyl n PRO 335 N -2.51 1.37 0.04 -1.71 -0.02 -1.26 -4.85 135.00 126.06 2wyl n PRO 335 Ca 0.13 0.50 0.13 0.00 -2.02 0.00 0.00 63.50 62.24 2wyl n PRO 335 Cb 0.50 -2.20 0.35 0.00 -0.02 0.00 0.00 33.50 32.13 2wyl n PRO 335 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wyl n ARG 336 N 4.76 0.15 0.00 -0.52 1.74 -1.26 -4.98 116.66 116.55 2wyl n ARG 336 Ca 0.23 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 2wyl n ARG 336 Cb 0.18 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 2wyl n ARG 336 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wyl n GLY 337 N 1.41 4.80 0.16 -0.13 0.00 -1.26 -5.06 105.19 105.11 2wyl n GLY 337 Ca 0.05 -1.05 -0.05 0.00 0.00 0.00 0.00 46.02 44.97 2wyl n GLY 337 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2wyl h PHE 338 N 0.00 -0.28 0.00 1.61 3.04 -2.04 -3.56 116.94 115.71 2wyl h PHE 338 Ca 0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 2wyl h PHE 338 Cb 0.00 0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.60 2wyl h PHE 338 CO 0.00 -0.18 0.00 -0.25 -2.02 0.00 0.00 178.31 175.86