#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wvb s ARG 6 N 0.00 3.17 0.26 -1.46 1.81 -1.26 -5.05 118.95 116.41 1wvb s ARG 6 Ca 0.00 -0.77 -0.10 0.00 -1.72 0.00 0.00 55.73 53.15 1wvb s ARG 6 Cb 0.00 -3.05 -0.07 0.00 -0.45 0.00 0.00 34.95 31.38 1wvb s ARG 6 CO 0.00 -0.29 0.59 0.99 -0.68 0.00 0.00 175.30 175.90 1wvb s THR 7 N 1.43 4.90 0.11 0.02 2.01 -1.26 -3.87 115.64 118.98 1wvb s THR 7 Ca 0.04 0.50 0.08 0.00 0.31 0.00 0.00 61.69 62.62 1wvb s THR 7 Cb -0.15 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 1wvb s THR 7 CO -0.03 -0.14 -0.16 -0.63 -0.69 0.00 0.00 174.62 172.98 1wvb s ILE 8 N -1.90 3.00 -0.36 1.82 -1.09 0.20 -0.38 121.20 122.49 1wvb s ILE 8 Ca 0.48 -1.42 0.01 0.00 -2.23 0.00 0.00 60.65 57.49 1wvb s ILE 8 Cb -0.11 -2.38 0.11 0.00 -1.58 0.00 0.00 42.46 38.50 1wvb s ILE 8 CO 0.22 0.11 0.13 -0.83 -1.23 0.00 0.00 174.94 173.34 1wvb s GLY 9 N -2.14 1.54 -0.12 6.18 0.00 0.45 -1.10 107.32 112.13 1wvb s GLY 9 Ca 0.19 -2.24 -0.29 0.00 0.00 0.00 0.00 44.72 42.38 1wvb s GLY 9 CO 0.11 1.38 1.18 -0.42 0.00 0.00 0.00 173.10 175.35 1wvb s ILE 10 N 0.99 4.39 -0.22 0.90 1.09 -0.48 -1.06 121.20 126.81 1wvb s ILE 10 Ca 0.13 1.69 0.02 0.00 -1.10 0.00 0.00 60.65 61.38 1wvb s ILE 10 Cb -0.20 -4.09 0.04 0.00 -1.06 0.00 0.00 42.46 37.16 1wvb s ILE 10 CO -0.13 -0.07 -0.13 -0.63 -0.10 0.00 0.00 174.94 173.89 1wvb s ILE 11 N 2.77 1.94 -0.21 2.92 1.01 0.13 -0.97 121.20 128.79 1wvb s ILE 11 Ca 0.53 -1.25 -0.21 0.00 0.00 0.00 0.00 60.65 59.72 1wvb s ILE 11 Cb -0.22 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.26 1wvb s ILE 11 CO 0.17 0.16 0.64 -0.83 0.00 0.00 0.00 174.94 175.08 1wvb s GLY 12 N 1.26 2.01 -0.70 6.18 0.00 -0.16 -1.01 107.32 114.90 1wvb s GLY 12 Ca -0.03 -0.29 0.05 0.00 0.00 0.00 0.00 44.72 44.45 1wvb s GLY 12 CO -0.08 1.34 0.52 0.00 0.00 0.00 0.00 173.10 174.88 1wvb n ALA 13 N 5.15 3.48 -2.29 3.20 0.00 0.86 0.11 120.51 131.03 1wvb n ALA 13 Ca -0.01 -4.56 -0.34 0.00 0.00 0.00 0.00 53.44 48.53 1wvb n ALA 13 Cb 0.50 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.89 1wvb n ALA 13 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wvb s PRO 14 N -1.57 3.07 0.01 0.00 0.04 -1.26 -2.02 135.00 133.29 1wvb s PRO 14 Ca 0.26 -0.97 0.02 0.00 0.04 0.00 0.00 61.00 60.35 1wvb s PRO 14 Cb -0.03 -5.26 -0.01 0.00 0.04 0.00 0.00 34.50 29.24 1wvb s PRO 14 CO -0.16 -2.97 -0.06 0.12 0.04 0.00 0.00 177.00 173.98 1wvb s PHE 15 N 7.83 0.51 0.00 0.56 5.36 -1.26 -4.84 117.98 126.13 1wvb s PHE 15 Ca 0.60 -0.25 0.00 0.00 -0.96 0.00 0.00 56.93 56.32 1wvb s PHE 15 Cb -0.02 -0.32 0.00 0.00 -0.34 0.00 0.00 43.02 42.34 1wvb s PHE 15 CO 0.00 -0.04 0.03 -1.13 -1.46 0.00 0.00 175.22 172.62 1wvb n SER 16 N 2.37 0.05 0.00 6.13 3.41 -1.26 -2.18 113.62 122.14 1wvb n SER 16 Ca -0.17 -0.48 0.01 0.00 -0.26 0.00 0.00 58.87 57.97 1wvb n SER 16 Cb 0.57 0.06 0.06 0.00 -0.26 0.00 0.00 64.21 64.64 1wvb n SER 16 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1wvb n LYS 17 N -0.06 0.21 0.00 4.33 4.76 -1.26 -2.08 118.16 124.06 1wvb n LYS 17 Ca 0.00 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.56 1wvb n LYS 17 Cb 0.10 -1.15 0.22 0.00 -1.84 0.00 0.00 35.03 32.36 1wvb n LYS 17 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wvb n GLY 18 N -0.38 -0.01 3.66 0.72 0.00 -1.26 -4.63 105.19 103.29 1wvb n GLY 18 Ca 0.01 -0.55 -0.08 0.00 0.00 0.00 0.00 46.02 45.41 1wvb n GLY 18 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wvb s GLN 19 N -2.33 1.44 0.11 1.61 -2.07 -0.88 -0.46 119.66 117.07 1wvb s GLN 19 Ca 0.25 -0.70 -0.25 0.00 -1.82 0.00 0.00 55.36 52.83 1wvb s GLN 19 Cb 0.19 0.55 -0.09 0.00 -1.09 0.00 0.00 33.01 32.57 1wvb s GLN 19 CO 0.47 -0.65 1.67 -1.35 -1.32 0.00 0.00 175.29 174.11 1wvb h PRO 20 N 2.00 -0.33 -6.81 9.60 0.11 -1.93 -3.44 132.00 131.20 1wvb h PRO 20 Ca -0.25 0.02 -0.52 0.00 0.11 0.00 0.00 66.00 65.36 1wvb h PRO 20 Cb 1.27 0.07 0.06 0.00 0.11 0.00 0.00 31.00 32.51 1wvb h PRO 20 CO 0.29 -0.22 0.66 1.03 -0.21 0.00 0.00 178.00 179.56 1wvb s ARG 21 N -6.12 4.35 0.03 1.05 3.00 -1.26 -4.96 118.95 115.04 1wvb s ARG 21 Ca -0.15 2.19 0.22 0.00 0.00 0.00 0.00 55.73 58.00 1wvb s ARG 21 Cb 0.08 -3.11 -0.22 0.00 0.00 0.00 0.00 34.95 31.69 1wvb s ARG 21 CO 0.66 -0.24 0.68 0.41 0.00 0.00 0.00 175.30 176.80 1wvb n GLY 22 N 1.42 -1.12 0.01 -3.53 0.00 -1.26 -4.50 105.19 96.21 1wvb n GLY 22 Ca 0.03 -0.45 0.01 0.00 0.00 0.00 0.00 46.02 45.60 1wvb n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wvb n GLY 23 N 1.27 -0.32 0.23 -0.02 0.00 -1.26 -1.57 105.19 103.51 1wvb n GLY 23 Ca -0.02 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1wvb n GLY 23 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1wvb h VAL 24 N 0.00 0.37 -0.39 1.61 -1.51 -1.79 -3.12 116.25 111.42 1wvb h VAL 24 Ca 0.00 -1.09 0.09 0.00 -1.23 0.00 0.00 66.70 64.48 1wvb h VAL 24 Cb 0.42 1.82 -0.02 0.00 -2.13 0.00 0.00 31.29 31.38 1wvb h VAL 24 CO 0.00 0.17 0.27 -0.33 -1.23 0.00 0.00 177.57 176.45 1wvb h GLU 25 N 0.00 0.10 -1.60 5.19 5.08 -1.46 -2.12 114.58 119.78 1wvb h GLU 25 Ca -0.00 -0.01 -0.51 0.00 -1.00 0.00 0.00 59.36 57.84 1wvb h GLU 25 Cb 0.81 -0.02 -0.20 0.00 0.50 0.00 0.00 28.75 29.83 1wvb h GLU 25 CO 0.02 0.06 0.60 0.39 -1.00 0.00 0.00 179.01 179.08 1wvb n GLU 26 N -4.45 2.29 -0.08 2.33 1.02 -1.18 -4.25 120.64 116.33 1wvb n GLU 26 Ca 0.06 -2.42 -0.13 0.00 -0.02 0.00 0.00 57.16 54.65 1wvb n GLU 26 Cb 0.40 -2.00 -0.08 0.00 -0.02 0.00 0.00 31.44 29.73 1wvb n GLU 26 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1wvb h GLY 27 N 2.86 0.00 0.66 0.62 0.00 -1.59 -3.20 103.07 102.42 1wvb h GLY 27 Ca 0.43 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.85 1wvb h GLY 27 CO 1.07 0.00 0.60 -2.55 0.00 0.00 0.00 176.54 175.66 1wvb h PRO 28 N -1.00 0.94 0.68 4.80 0.11 -1.77 -1.08 132.00 134.67 1wvb h PRO 28 Ca -0.13 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.89 1wvb h PRO 28 Cb 0.88 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.77 1wvb h PRO 28 CO -0.08 0.62 -0.41 1.15 -0.21 0.00 0.00 178.00 179.07 1wvb h THR 29 N 0.96 0.17 -0.18 -1.15 2.02 -1.87 -0.09 112.91 112.78 1wvb h THR 29 Ca 0.44 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.62 1wvb h THR 29 Cb 0.39 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1wvb h THR 29 CO -0.20 0.00 0.11 0.58 0.37 0.00 0.00 175.52 176.38 1wvb h VAL 30 N -1.02 1.08 0.00 3.16 2.07 -1.50 -0.52 116.25 119.52 1wvb h VAL 30 Ca -0.09 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1wvb h VAL 30 Cb 0.82 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1wvb h VAL 30 CO 0.09 0.08 0.00 -0.07 0.02 0.00 0.00 177.57 177.69 1wvb h LEU 31 N 0.20 0.00 0.03 2.57 3.38 -1.16 -2.54 115.31 117.79 1wvb h LEU 31 Ca 0.06 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.73 1wvb h LEU 31 Cb 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1wvb h LEU 31 CO -0.01 0.00 -1.66 0.54 0.09 0.00 0.00 178.44 177.40 1wvb n ARG 32 N -2.37 0.61 0.31 1.13 1.74 -0.05 -3.47 116.66 114.56 1wvb n ARG 32 Ca 0.00 0.45 0.18 0.00 -0.77 0.00 0.00 57.85 57.72 1wvb n ARG 32 Cb 0.16 -1.69 1.05 0.00 -1.02 0.00 0.00 32.46 30.95 1wvb n ARG 32 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1wvb h LYS 33 N -0.73 0.00 0.00 5.56 1.57 -0.94 0.64 116.57 122.68 1wvb h LYS 33 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1wvb h LYS 33 Cb 1.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.84 1wvb h LYS 33 CO -0.17 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.71 1wvb h ALA 34 N 1.99 1.00 0.00 3.86 0.00 -1.62 -3.47 119.26 121.03 1wvb h ALA 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wvb h ALA 34 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1wvb h ALA 34 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1wvb n GLY 35 N 0.21 0.93 0.28 0.00 0.00 0.22 -4.98 105.19 101.85 1wvb n GLY 35 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 1wvb n GLY 35 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wvb h LEU 36 N 0.00 -0.55 -0.91 0.99 5.85 -1.57 0.26 115.31 119.38 1wvb h LEU 36 Ca 0.00 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 1wvb h LEU 36 Cb 0.00 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1wvb h LEU 36 CO 0.00 -0.36 -0.46 -0.07 -0.34 0.00 0.00 178.44 177.21 1wvb h LEU 37 N -0.70 0.20 0.17 2.25 4.07 -1.89 0.25 115.31 119.67 1wvb h LEU 37 Ca -0.07 -0.09 -0.01 0.00 0.08 0.00 0.00 57.88 57.79 1wvb h LEU 37 Cb 0.52 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.21 1wvb h LEU 37 CO 0.11 0.64 -0.08 -0.33 -1.08 0.00 0.00 178.44 177.69 1wvb h GLU 38 N 0.15 -0.22 -0.28 1.13 3.07 -1.90 0.79 114.58 117.31 1wvb h GLU 38 Ca 0.01 0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 58.80 1wvb h GLU 38 Cb 0.88 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.83 1wvb h GLU 38 CO 0.07 -0.12 -0.19 0.87 -1.40 0.00 0.00 179.01 178.24 1wvb h LYS 39 N -0.27 0.51 -0.26 2.33 1.57 -0.19 -2.81 116.57 117.46 1wvb h LYS 39 Ca -0.02 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.49 1wvb h LYS 39 Cb 0.21 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1wvb h LYS 39 CO 0.04 0.68 -0.23 -0.07 -0.57 0.00 0.00 179.45 179.30 1wvb h LEU 40 N 0.46 0.64 -0.91 2.94 3.38 -0.26 -2.84 115.31 118.71 1wvb h LEU 40 Ca 0.08 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1wvb h LEU 40 Cb 0.59 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1wvb h LEU 40 CO 0.04 0.97 0.00 0.11 0.09 0.00 0.00 178.44 179.65 1wvb h LYS 41 N 0.32 0.00 0.00 1.13 1.57 -0.76 -1.19 116.57 117.65 1wvb h LYS 41 Ca 0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1wvb h LYS 41 Cb 0.78 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.09 1wvb h LYS 41 CO 0.06 0.00 -0.07 0.93 -0.57 0.00 0.00 179.45 179.80 1wvb h GLU 42 N 0.00 0.00 0.00 3.15 5.08 -1.24 -3.43 114.58 118.14 1wvb h GLU 42 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1wvb h GLU 42 Cb 0.30 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.58 1wvb h GLU 42 CO 0.00 0.07 0.04 1.04 -1.00 0.00 0.00 179.01 179.16 1wvb n GLN 43 N -3.24 0.34 -0.51 2.33 6.02 -0.45 -4.98 117.38 116.90 1wvb n GLN 43 Ca -0.00 -1.15 -0.08 0.00 -0.01 0.00 0.00 57.00 55.75 1wvb n GLN 43 Cb 0.29 -0.27 0.04 0.00 1.02 0.00 0.00 30.24 31.33 1wvb n GLN 43 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1wvb n GLU 44 N -1.76 1.42 -5.13 -1.09 -0.00 -1.26 -4.88 120.64 107.94 1wvb n GLU 44 Ca 0.07 -0.94 -0.32 0.00 -0.00 0.00 0.00 57.16 55.97 1wvb n GLU 44 Cb 0.25 -1.37 -0.16 0.00 -0.00 0.00 0.00 31.44 30.16 1wvb n GLU 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1wvb s ASP 46 N 0.28 7.16 -0.04 0.00 1.01 -1.25 -4.37 116.67 119.46 1wvb s ASP 46 Ca -0.16 1.80 -0.01 0.00 0.71 0.00 0.00 52.55 54.90 1wvb s ASP 46 Cb -0.17 -2.57 0.03 0.00 1.01 0.00 0.00 42.92 41.22 1wvb s ASP 46 CO 0.08 -0.20 0.04 -0.69 0.21 0.00 0.00 175.17 174.61 1wvb s VAL 47 N -1.81 -0.03 -0.24 -1.27 1.01 -1.26 0.61 120.40 117.41 1wvb s VAL 47 Ca 0.55 0.31 -0.03 0.00 0.00 0.00 0.00 61.98 62.81 1wvb s VAL 47 Cb -0.16 -0.17 0.01 0.00 0.00 0.00 0.00 36.38 36.07 1wvb s VAL 47 CO 0.20 0.16 -0.04 -0.54 0.00 0.00 0.00 175.10 174.88 1wvb s LYS 48 N 1.71 3.04 -0.95 2.72 -0.14 -0.26 -4.99 119.74 120.88 1wvb s LYS 48 Ca -0.01 -0.85 -0.19 0.00 -1.36 0.00 0.00 55.97 53.57 1wvb s LYS 48 Cb -0.12 -3.02 0.13 0.00 -1.68 0.00 0.00 37.83 33.13 1wvb s LYS 48 CO -0.03 -0.34 1.16 0.34 -0.76 0.00 0.00 175.35 175.73 1wvb s ASP 49 N 1.39 6.64 0.00 2.83 2.15 -1.26 -1.38 116.67 127.05 1wvb s ASP 49 Ca 0.02 -2.06 0.01 0.00 0.43 0.00 0.00 52.55 50.95 1wvb s ASP 49 Cb -0.16 -2.41 0.05 0.00 -0.30 0.00 0.00 42.92 40.10 1wvb s ASP 49 CO -0.04 -1.07 0.66 -1.22 -0.17 0.00 0.00 175.17 173.33 1wvb n TYR 50 N 6.64 0.00 0.00 -5.34 4.02 -0.14 -4.91 117.16 117.43 1wvb n TYR 50 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.14 1wvb n TYR 50 Cb 0.49 -0.12 0.00 0.00 -0.02 0.00 0.00 39.34 39.69 1wvb n TYR 50 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1wvb n GLY 51 N -1.06 -1.44 3.71 2.72 0.00 -1.16 -4.88 105.19 103.09 1wvb n GLY 51 Ca 0.01 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 1wvb n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wvb s ASP 52 N -3.27 7.18 0.27 1.61 1.11 -1.26 -0.99 116.67 121.33 1wvb s ASP 52 Ca 0.00 1.43 -0.29 0.00 0.18 0.00 0.00 52.55 53.87 1wvb s ASP 52 Cb 0.00 -2.49 -0.10 0.00 1.07 0.00 0.00 42.92 41.40 1wvb s ASP 52 CO 0.00 -0.19 1.29 -0.76 1.18 0.00 0.00 175.17 176.69 1wvb s LEU 53 N 0.90 4.44 -0.91 1.23 1.43 0.30 -4.89 118.68 121.18 1wvb s LEU 53 Ca 0.45 2.52 -0.19 0.00 -1.03 0.00 0.00 54.13 55.88 1wvb s LEU 53 Cb -0.19 -3.63 0.13 0.00 0.03 0.00 0.00 46.19 42.53 1wvb s LEU 53 CO 0.23 -0.49 1.10 -2.16 0.23 0.00 0.00 176.35 175.26 1wvb s PRO 54 N -0.96 3.58 0.25 1.29 0.04 -1.26 -4.60 135.00 133.34 1wvb s PRO 54 Ca 0.52 -1.75 -0.26 0.00 0.04 0.00 0.00 61.00 59.56 1wvb s PRO 54 Cb -0.38 -4.87 -0.09 0.00 0.04 0.00 0.00 34.50 29.21 1wvb s PRO 54 CO 0.45 -1.75 0.87 -0.06 0.04 0.00 0.00 177.00 176.54 1wvb s PHE 55 N 2.64 3.81 1.07 0.56 0.08 -1.26 -5.05 117.98 119.82 1wvb s PHE 55 Ca 0.32 1.71 -0.12 0.00 0.12 0.00 0.00 56.93 58.96 1wvb s PHE 55 Cb -0.06 -2.85 0.23 0.00 -0.57 0.00 0.00 43.02 39.77 1wvb s PHE 55 CO -0.09 0.36 1.06 0.00 -0.10 0.00 0.00 175.22 176.46 1wvb s ALA 56 N -1.39 0.29 -0.47 5.36 0.00 -1.26 -5.00 121.76 119.30 1wvb s ALA 56 Ca 0.43 -0.00 0.04 0.00 0.00 0.00 0.00 51.96 52.43 1wvb s ALA 56 Cb -0.21 -3.27 0.12 0.00 0.00 0.00 0.00 23.12 19.77 1wvb s ALA 56 CO 0.26 -3.35 0.21 0.34 0.00 0.00 0.00 175.76 173.22 1wvb s ASP 57 N -2.76 4.29 -0.75 0.00 3.68 -1.26 -5.05 116.67 114.82 1wvb s ASP 57 Ca 0.67 -2.74 -0.24 0.00 2.13 0.00 0.00 52.55 52.37 1wvb s ASP 57 Cb -0.23 -1.52 0.06 0.00 -1.45 0.00 0.00 42.92 39.78 1wvb s ASP 57 CO 0.62 -0.27 1.14 -0.63 0.13 0.00 0.00 175.17 176.15 1wvb s ILE 58 N 0.10 4.11 0.27 4.11 1.01 -1.26 -4.88 121.20 124.66 1wvb s ILE 58 Ca 0.16 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.58 1wvb s ILE 58 Cb -0.24 -4.81 0.06 0.00 0.01 0.00 0.00 42.46 37.48 1wvb s ILE 58 CO -0.02 -1.65 1.71 1.55 0.00 0.00 0.00 174.94 176.52 1wvb h PRO 59 N 9.69 0.51 -3.79 2.79 0.13 -2.03 -3.37 132.00 135.93 1wvb h PRO 59 Ca -0.20 -0.20 -0.79 0.00 -0.87 0.00 0.00 66.00 63.95 1wvb h PRO 59 Cb 1.05 -0.03 -0.26 0.00 0.13 0.00 0.00 31.00 31.89 1wvb h PRO 59 CO 1.24 0.73 0.29 -0.80 -0.23 0.00 0.00 178.00 179.22 1wvb s ASN 60 N -6.80 6.99 -0.38 1.44 0.01 -1.26 -4.85 114.94 110.08 1wvb s ASN 60 Ca -0.07 -3.03 0.10 0.00 -0.71 0.00 0.00 52.86 49.15 1wvb s ASN 60 Cb 0.14 -2.22 0.29 0.00 0.41 0.00 0.00 41.25 39.87 1wvb s ASN 60 CO 0.80 -0.48 0.62 -0.67 -1.51 0.00 0.00 177.10 175.85 1wvb n ASP 61 N 3.60 0.41 -4.78 -1.22 2.03 -1.26 -5.03 116.55 110.30 1wvb n ASP 61 Ca 0.19 -2.84 -0.36 0.00 0.52 0.00 0.00 54.79 52.30 1wvb n ASP 61 Cb 0.44 -0.59 -0.02 0.00 -0.72 0.00 0.00 41.12 40.22 1wvb n ASP 61 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1wvb s SER 62 N -1.72 6.24 0.27 1.67 0.01 -1.26 -4.28 113.70 114.64 1wvb s SER 62 Ca 0.37 2.11 -0.28 0.00 1.31 0.00 0.00 55.95 59.46 1wvb s SER 62 Cb 0.25 -2.58 -0.14 0.00 0.21 0.00 0.00 66.02 63.75 1wvb s SER 62 CO -0.10 -0.85 0.97 -2.65 0.41 0.00 0.00 173.24 171.02 1wvb n PRO 63 N -0.72 1.21 -3.22 12.44 -0.02 -1.26 -4.81 135.00 138.62 1wvb n PRO 63 Ca 0.08 0.42 -0.45 0.00 -2.02 0.00 0.00 63.50 61.53 1wvb n PRO 63 Cb 0.50 -1.77 -0.05 0.00 -0.02 0.00 0.00 33.50 32.17 1wvb n PRO 63 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1wvb s PHE 64 N -0.98 3.13 0.00 6.00 5.36 -0.14 -4.86 117.98 126.48 1wvb s PHE 64 Ca 0.60 -1.13 0.00 0.00 -0.96 0.00 0.00 56.93 55.44 1wvb s PHE 64 Cb -0.73 -3.90 0.00 0.00 -0.34 0.00 0.00 43.02 38.05 1wvb s PHE 64 CO 0.59 -1.15 0.00 1.04 -1.46 0.00 0.00 175.22 174.24 1wvb n GLN 65 N 5.77 0.00 -0.03 10.12 6.02 -1.26 -0.03 117.38 137.97 1wvb n GLN 65 Ca -0.12 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.80 1wvb n GLN 65 Cb 0.41 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.54 1wvb n GLN 65 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 1wvb n ILE 66 N 0.00 1.47 -2.12 5.09 0.13 -1.26 -4.96 119.36 117.70 1wvb n ILE 66 Ca 0.00 -0.79 -0.41 0.00 -1.10 0.00 0.00 62.75 60.45 1wvb n ILE 66 Cb 0.00 -0.86 -0.02 0.00 -0.84 0.00 0.00 39.64 37.92 1wvb n ILE 66 CO 0.00 0.00 0.00 -0.69 2.80 0.00 0.00 176.55 178.66 1wvb s VAL 67 N -2.65 2.87 -0.06 9.51 1.01 0.96 -4.49 120.40 127.55 1wvb s VAL 67 Ca -0.05 0.77 -0.02 0.00 0.00 0.00 0.00 61.98 62.67 1wvb s VAL 67 Cb 0.08 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 1wvb s VAL 67 CO 0.83 0.14 0.06 -0.54 0.00 0.00 0.00 175.10 175.59 1wvb s LYS 68 N -0.80 3.10 -1.52 2.72 1.02 -0.55 -0.97 119.74 122.74 1wvb s LYS 68 Ca 0.55 -0.38 -0.02 0.00 0.02 0.00 0.00 55.97 56.14 1wvb s LYS 68 Cb -0.39 -2.89 0.02 0.00 -0.52 0.00 0.00 37.83 34.04 1wvb s LYS 68 CO 0.45 0.70 0.21 0.09 -0.92 0.00 0.00 175.35 175.87 1wvb n ASN 69 N 1.75 0.23 -0.15 2.83 3.02 -1.26 -4.60 115.26 117.08 1wvb n ASN 69 Ca -0.17 -1.17 -0.09 0.00 -0.03 0.00 0.00 54.58 53.13 1wvb n ASN 69 Cb 0.54 -2.17 -0.00 0.00 -0.61 0.00 0.00 39.78 37.54 1wvb n ASN 69 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1wvb h PRO 70 N -1.76 0.64 -0.07 3.52 0.13 -1.83 -0.71 132.00 131.92 1wvb h PRO 70 Ca -0.64 -0.11 -0.07 0.00 -0.87 0.00 0.00 66.00 64.30 1wvb h PRO 70 Cb 1.39 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1wvb h PRO 70 CO 0.69 0.58 -0.27 0.00 -0.23 0.00 0.00 178.00 178.77 1wvb h ARG 71 N 0.56 0.13 -0.13 0.86 3.08 -1.88 0.48 114.38 117.47 1wvb h ARG 71 Ca 0.15 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 60.04 1wvb h ARG 71 Cb 0.18 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1wvb h ARG 71 CO -0.01 0.40 -0.36 0.77 -1.07 0.00 0.00 179.97 179.69 1wvb h SER 72 N 0.11 0.54 -0.23 7.04 0.02 -1.84 -2.80 113.55 116.40 1wvb h SER 72 Ca 0.02 -0.59 -0.05 0.00 -0.84 0.00 0.00 61.79 60.33 1wvb h SER 72 Cb 0.55 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1wvb h SER 72 CO 0.04 1.04 -0.04 0.58 -1.14 0.00 0.00 176.83 177.30 1wvb h VAL 73 N 0.08 1.28 -0.05 2.27 2.07 -0.70 -2.94 116.25 118.25 1wvb h VAL 73 Ca -0.01 -1.02 0.02 0.00 0.82 0.00 0.00 66.70 66.51 1wvb h VAL 73 Cb 0.97 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 1wvb h VAL 73 CO 0.08 0.32 -0.05 1.23 0.02 0.00 0.00 177.57 179.16 1wvb h GLY 74 N 0.17 -0.01 2.00 2.17 0.00 -0.10 -1.80 103.07 105.51 1wvb h GLY 74 Ca 0.06 0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.36 1wvb h GLY 74 CO 0.02 -0.06 -0.43 1.70 0.00 0.00 0.00 176.54 177.77 1wvb h LYS 75 N -0.07 0.00 -0.09 4.80 1.63 -1.60 0.15 116.57 121.39 1wvb h LYS 75 Ca 0.04 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.81 1wvb h LYS 75 Cb 0.13 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1wvb h LYS 75 CO -0.09 0.43 -0.08 0.00 -3.45 0.00 0.00 179.45 176.25 1wvb h ALA 76 N 1.57 0.13 0.00 5.00 0.00 -1.35 0.69 119.26 125.31 1wvb h ALA 76 Ca -0.00 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 1wvb h ALA 76 Cb 0.86 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1wvb h ALA 76 CO 0.06 -0.05 -0.60 0.66 0.00 0.00 0.00 179.25 179.32 1wvb h SER 77 N -0.19 0.00 -0.36 0.00 4.64 -1.24 -0.84 113.55 115.57 1wvb h SER 77 Ca 0.02 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.19 1wvb h SER 77 Cb 0.58 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 1wvb h SER 77 CO 0.02 0.60 -0.35 -0.08 -0.87 0.00 0.00 176.83 176.15 1wvb h GLU 78 N 0.00 0.86 -0.52 4.77 4.81 -0.67 -1.82 114.58 122.02 1wvb h GLU 78 Ca -0.01 -0.45 -0.04 0.00 -0.13 0.00 0.00 59.36 58.73 1wvb h GLU 78 Cb 1.27 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.65 1wvb h GLU 78 CO 0.08 1.10 0.18 0.37 -0.73 0.00 0.00 179.01 180.00 1wvb h GLN 79 N 0.66 0.79 -0.10 1.92 4.15 -0.72 -2.52 115.11 119.29 1wvb h GLN 79 Ca 0.06 -0.16 -0.06 0.00 0.77 0.00 0.00 58.65 59.25 1wvb h GLN 79 Cb 0.94 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.50 1wvb h GLN 79 CO 0.09 0.72 -0.23 1.25 -1.93 0.00 0.00 178.83 178.73 1wvb h LEU 80 N 0.70 0.16 0.29 -2.39 5.85 -1.07 -3.06 115.31 115.80 1wvb h LEU 80 Ca 0.17 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1wvb h LEU 80 Cb 0.24 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1wvb h LEU 80 CO -0.01 0.41 -0.19 0.00 -0.34 0.00 0.00 178.44 178.31 1wvb h ALA 81 N 1.61 -0.45 -0.21 1.25 0.00 -0.89 0.29 119.26 120.86 1wvb h ALA 81 Ca 0.03 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1wvb h ALA 81 Cb 0.50 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 1wvb h ALA 81 CO 0.03 -0.77 -0.19 0.78 0.00 0.00 0.00 179.25 179.11 1wvb h GLY 82 N -0.47 -0.08 1.19 0.00 0.00 -1.42 0.72 103.07 103.01 1wvb h GLY 82 Ca -0.03 0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.50 1wvb h GLY 82 CO 0.02 -0.18 0.30 0.50 0.00 0.00 0.00 176.54 177.19 1wvb h LYS 83 N -0.20 1.04 0.07 4.80 6.56 -1.46 0.83 116.57 128.21 1wvb h LYS 83 Ca 0.13 -0.17 -0.00 0.00 -1.06 0.00 0.00 60.65 59.55 1wvb h LYS 83 Cb 0.39 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 31.87 1wvb h LYS 83 CO -0.33 0.83 -0.03 0.28 -2.06 0.00 0.00 179.45 178.14 1wvb h VAL 84 N 1.02 1.05 -0.88 0.50 2.07 0.35 -1.79 116.25 118.59 1wvb h VAL 84 Ca 0.24 -0.42 0.16 0.00 0.82 0.00 0.00 66.70 67.50 1wvb h VAL 84 Cb 0.17 1.33 -0.10 0.00 -1.52 0.00 0.00 31.29 31.17 1wvb h VAL 84 CO -0.02 0.11 0.46 0.00 0.02 0.00 0.00 177.57 178.13 1wvb h ALA 85 N 0.63 1.35 0.91 1.67 0.00 0.90 -1.93 119.26 122.79 1wvb h ALA 85 Ca -0.01 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1wvb h ALA 85 Cb 0.25 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1wvb h ALA 85 CO 0.02 -0.10 -0.44 1.49 0.00 0.00 0.00 179.25 180.22 1wvb h GLU 86 N 0.63 -1.18 -0.72 0.00 4.57 -0.55 0.82 114.58 118.15 1wvb h GLU 86 Ca 0.49 0.08 0.14 0.00 -1.18 0.00 0.00 59.36 58.89 1wvb h GLU 86 Cb 0.72 0.27 -0.10 0.00 -0.16 0.00 0.00 28.75 29.48 1wvb h GLU 86 CO -0.38 -0.78 0.24 0.28 -1.18 0.00 0.00 179.01 177.19 1wvb h VAL 87 N -1.26 0.61 0.00 0.32 2.07 -0.87 0.33 116.25 117.45 1wvb h VAL 87 Ca -0.13 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1wvb h VAL 87 Cb 0.94 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1wvb h VAL 87 CO 0.21 0.07 -0.19 0.50 0.02 0.00 0.00 177.57 178.17 1wvb h LYS 88 N 0.36 0.00 0.00 1.57 1.63 -1.32 -0.04 116.57 118.76 1wvb h LYS 88 Ca 0.40 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.20 1wvb h LYS 88 Cb 0.63 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 1wvb h LYS 88 CO -0.43 0.00 0.00 1.17 -3.45 0.00 0.00 179.45 176.74 1wvb n LYS 89 N -2.68 0.05 0.00 1.90 4.81 0.28 -2.72 118.16 119.81 1wvb n LYS 89 Ca 0.04 0.54 0.08 0.00 -0.87 0.00 0.00 58.31 58.10 1wvb n LYS 89 Cb 0.49 -1.67 -0.13 0.00 0.02 0.00 0.00 35.03 33.74 1wvb n LYS 89 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1wvb n ASN 90 N -1.78 0.21 -0.15 3.14 3.02 -0.07 -4.97 115.26 114.66 1wvb n ASN 90 Ca -0.00 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1wvb n ASN 90 Cb 0.02 1.50 0.00 0.00 -0.61 0.00 0.00 39.78 40.69 1wvb n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wvb n GLY 91 N 1.30 0.86 3.41 7.41 0.00 -0.97 -5.06 105.19 112.15 1wvb n GLY 91 Ca -0.07 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 1wvb n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wvb s ARG 92 N -3.43 3.20 0.19 1.61 0.52 -1.01 -4.75 118.95 115.28 1wvb s ARG 92 Ca 0.00 -0.67 -0.32 0.00 -0.52 0.00 0.00 55.73 54.22 1wvb s ARG 92 Cb 0.00 -2.60 -0.12 0.00 0.52 0.00 0.00 34.95 32.76 1wvb s ARG 92 CO 0.00 0.32 1.75 0.42 0.02 0.00 0.00 175.30 177.81 1wvb s ILE 93 N 0.07 2.13 -0.03 1.52 1.01 0.48 -3.99 121.20 122.39 1wvb s ILE 93 Ca -0.05 0.02 -0.28 0.00 0.00 0.00 0.00 60.65 60.34 1wvb s ILE 93 Cb -0.14 -3.01 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 1wvb s ILE 93 CO 0.04 0.00 0.90 -0.94 0.00 0.00 0.00 174.94 174.95 1wvb s SER 94 N 1.50 7.25 -0.28 3.58 1.04 -0.78 -0.41 113.70 125.59 1wvb s SER 94 Ca 0.76 1.51 0.03 0.00 0.48 0.00 0.00 55.95 58.73 1wvb s SER 94 Cb -0.49 -2.52 0.08 0.00 0.10 0.00 0.00 66.02 63.18 1wvb s SER 94 CO 0.33 -0.23 -0.03 -0.22 0.98 0.00 0.00 173.24 174.06 1wvb s LEU 95 N 1.04 3.61 -0.40 2.42 0.20 -0.22 -1.01 118.68 124.31 1wvb s LEU 95 Ca 0.48 -1.62 -0.13 0.00 0.69 0.00 0.00 54.13 53.55 1wvb s LEU 95 Cb -0.20 -1.45 0.03 0.00 -0.43 0.00 0.00 46.19 44.15 1wvb s LEU 95 CO 0.24 -0.28 0.27 -0.69 -0.29 0.00 0.00 176.35 175.60 1wvb s VAL 96 N 1.13 4.87 -0.61 1.68 1.01 -0.31 0.19 120.40 128.38 1wvb s VAL 96 Ca -0.00 -0.86 -0.21 0.00 0.00 0.00 0.00 61.98 60.91 1wvb s VAL 96 Cb -0.19 -3.76 0.08 0.00 0.00 0.00 0.00 36.38 32.51 1wvb s VAL 96 CO -0.08 -0.33 0.81 -0.76 0.00 0.00 0.00 175.10 174.75 1wvb s LEU 97 N 1.60 4.87 0.00 3.92 1.43 -0.18 -1.81 118.68 128.51 1wvb s LEU 97 Ca 0.03 -1.14 0.00 0.00 -1.03 0.00 0.00 54.13 51.99 1wvb s LEU 97 Cb -0.20 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.63 1wvb s LEU 97 CO 0.08 -1.23 0.00 0.61 0.23 0.00 0.00 176.35 176.03 1wvb n GLY 98 N 5.28 2.62 0.00 -3.19 0.00 -1.08 -0.10 105.19 108.72 1wvb n GLY 98 Ca -0.06 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.89 1wvb n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wvb n GLY 99 N 5.00 0.64 3.85 -0.02 0.00 -0.85 -4.42 105.19 109.39 1wvb n GLY 99 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1wvb n GLY 99 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wvb s ASP 100 N -0.16 6.62 0.29 1.61 1.47 -0.92 -0.37 116.67 125.20 1wvb s ASP 100 Ca 0.00 1.37 0.16 0.00 1.18 0.00 0.00 52.55 55.26 1wvb s ASP 100 Cb 0.00 -2.42 0.87 0.00 -0.34 0.00 0.00 42.92 41.03 1wvb s ASP 100 CO 0.00 -0.45 1.44 1.57 0.68 0.00 0.00 175.17 178.41 1wvb n HIS 101 N -1.27 0.54 0.17 2.11 -0.00 -1.26 -2.68 115.22 112.83 1wvb n HIS 101 Ca 0.05 0.28 0.15 0.00 -0.00 0.00 0.00 57.72 58.20 1wvb n HIS 101 Cb 0.54 -0.87 0.74 0.00 -0.00 0.00 0.00 29.99 30.41 1wvb n HIS 101 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1wvb h SER 102 N 0.00 0.00 0.07 0.26 4.64 -1.77 -0.70 113.55 116.06 1wvb h SER 102 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wvb h SER 102 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1wvb h SER 102 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1wvb n LEU 103 N -4.17 0.50 0.24 5.97 4.77 -1.09 -1.68 117.00 121.54 1wvb n LEU 103 Ca 0.02 0.72 0.08 0.00 -0.03 0.00 0.00 56.01 56.81 1wvb n LEU 103 Cb 0.32 -0.77 0.61 0.00 -2.33 0.00 0.00 43.42 41.25 1wvb n LEU 103 CO 0.32 -0.86 0.94 0.00 -1.33 0.00 0.00 177.39 176.46 1wvb h ALA 104 N 2.03 1.54 -0.62 -1.18 0.00 -1.39 -1.66 119.26 117.98 1wvb h ALA 104 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1wvb h ALA 104 Cb 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1wvb h ALA 104 CO 0.00 0.19 0.40 0.82 0.00 0.00 0.00 179.25 180.66 1wvb h ILE 105 N 0.00 1.13 0.05 0.00 2.04 -1.54 -0.43 117.51 118.76 1wvb h ILE 105 Ca -0.00 -0.28 -0.24 0.00 1.00 0.00 0.00 64.86 65.34 1wvb h ILE 105 Cb 0.30 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1wvb h ILE 105 CO 0.02 0.15 -1.15 1.23 0.00 0.00 0.00 178.15 178.40 1wvb h GLY 106 N 0.80 0.12 1.01 5.37 0.00 -1.49 -3.06 103.07 105.83 1wvb h GLY 106 Ca 0.24 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1wvb h GLY 106 CO -0.07 0.27 -0.20 0.23 0.00 0.00 0.00 176.54 176.77 1wvb h SER 107 N 0.03 -0.47 1.07 0.19 0.87 -0.99 -0.98 113.55 113.27 1wvb h SER 107 Ca -0.08 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.45 1wvb h SER 107 Cb 1.86 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.94 1wvb h SER 107 CO 0.15 -0.34 -0.20 0.40 -0.53 0.00 0.00 176.83 176.32 1wvb h ILE 108 N -0.56 0.46 0.02 2.23 2.04 -1.22 -2.73 117.51 117.76 1wvb h ILE 108 Ca -0.06 -1.13 -0.09 0.00 1.00 0.00 0.00 64.86 64.59 1wvb h ILE 108 Cb 0.43 1.81 0.01 0.00 -0.74 0.00 0.00 36.82 38.32 1wvb h ILE 108 CO 0.09 0.20 -0.36 0.28 0.00 0.00 0.00 178.15 178.36 1wvb h SER 109 N 0.00 0.28 -0.66 1.72 0.02 -1.41 -2.49 113.55 111.00 1wvb h SER 109 Ca -0.00 -0.83 -0.03 0.00 -0.84 0.00 0.00 61.79 60.08 1wvb h SER 109 Cb 0.79 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.22 1wvb h SER 109 CO 0.03 1.08 0.30 1.23 -1.14 0.00 0.00 176.83 178.32 1wvb h GLY 110 N -0.49 1.07 0.89 -3.77 0.00 -1.18 -1.43 103.07 98.15 1wvb h GLY 110 Ca -0.05 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 46.70 1wvb h GLY 110 CO 0.07 0.51 0.02 0.84 0.00 0.00 0.00 176.54 177.98 1wvb h HIS 111 N 0.98 0.56 -0.08 5.60 6.17 -1.58 -2.95 115.15 123.85 1wvb h HIS 111 Ca 0.23 -0.09 -0.02 0.00 0.71 0.00 0.00 60.37 61.21 1wvb h HIS 111 Cb 0.15 -0.15 -0.01 0.00 2.52 0.00 0.00 27.41 29.93 1wvb h HIS 111 CO 0.01 0.63 -0.04 0.00 0.71 0.00 0.00 177.93 179.24 1wvb h ALA 112 N 0.86 1.78 -0.88 5.26 0.00 -1.06 -0.92 119.26 124.30 1wvb h ALA 112 Ca 0.09 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1wvb h ALA 112 Cb 0.39 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1wvb h ALA 112 CO 0.01 0.17 0.58 0.00 0.00 0.00 0.00 179.25 180.01 1wvb h ARG 113 N 0.12 1.08 0.22 0.00 3.08 -1.09 0.27 114.38 118.06 1wvb h ARG 113 Ca 0.03 -0.06 -0.35 0.00 0.07 0.00 0.00 59.98 59.67 1wvb h ARG 113 Cb 0.16 -0.24 0.02 0.00 0.08 0.00 0.00 29.97 29.99 1wvb h ARG 113 CO 0.01 0.71 -1.63 0.28 -1.07 0.00 0.00 179.97 178.27 1wvb h VAL 114 N 1.11 1.10 -2.42 2.04 2.07 -1.49 -3.40 116.25 115.26 1wvb h VAL 114 Ca 0.35 -2.61 -0.59 0.00 0.82 0.00 0.00 66.70 64.66 1wvb h VAL 114 Cb 0.00 2.90 -0.40 0.00 -1.52 0.00 0.00 31.29 32.26 1wvb h VAL 114 CO -0.10 0.84 -0.83 1.41 0.02 0.00 0.00 177.57 178.91 1wvb n HIS 115 N -3.65 1.23 0.09 1.57 8.25 -0.40 -4.96 115.22 117.36 1wvb n HIS 115 Ca -0.21 -3.80 0.03 0.00 -0.26 0.00 0.00 57.72 53.48 1wvb n HIS 115 Cb 1.09 -0.28 0.17 0.00 1.12 0.00 0.00 29.99 32.09 1wvb n HIS 115 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1wvb n PRO 116 N 1.84 0.04 -0.03 -0.41 -0.04 0.94 -1.78 135.00 135.57 1wvb n PRO 116 Ca 0.25 0.42 0.12 0.00 -0.04 0.00 0.00 63.50 64.26 1wvb n PRO 116 Cb 0.44 -1.93 0.25 0.00 -0.04 0.00 0.00 33.50 32.22 1wvb n PRO 116 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1wvb n ASP 117 N -1.67 2.56 -4.49 3.54 5.75 -1.26 -4.99 116.55 115.99 1wvb n ASP 117 Ca -0.00 -1.84 -0.35 0.00 -0.01 0.00 0.00 54.79 52.58 1wvb n ASP 117 Cb 0.30 -0.04 0.10 0.00 -1.03 0.00 0.00 41.12 40.45 1wvb n ASP 117 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wvb n LEU 118 N 0.98 1.21 -4.66 -2.12 -0.00 -0.73 -4.63 117.00 107.05 1wvb n LEU 118 Ca 0.16 0.51 -0.32 0.00 -0.00 0.00 0.00 56.01 56.36 1wvb n LEU 118 Cb 0.52 -1.27 -0.09 0.00 -0.00 0.00 0.00 43.42 42.58 1wvb n LEU 118 CO 0.15 -3.00 -0.34 -0.83 -0.00 0.00 0.00 177.39 173.37 1wvb s GLY 119 N -1.77 1.85 -0.10 1.47 0.00 0.13 -4.96 107.32 103.94 1wvb s GLY 119 Ca 0.64 -1.02 0.03 0.00 0.00 0.00 0.00 44.72 44.37 1wvb s GLY 119 CO 0.60 -0.92 -0.19 0.14 0.00 0.00 0.00 173.10 172.73 1wvb s VAL 120 N -1.12 2.51 -0.15 1.40 1.01 0.97 0.12 120.40 125.13 1wvb s VAL 120 Ca 0.21 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1wvb s VAL 120 Cb -0.11 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1wvb s VAL 120 CO 0.12 0.55 -0.17 -0.63 0.00 0.00 0.00 175.10 174.97 1wvb s ILE 121 N 0.15 2.52 -0.40 2.22 1.01 0.71 -1.42 121.20 125.99 1wvb s ILE 121 Ca -0.10 -0.82 -0.00 0.00 0.00 0.00 0.00 60.65 59.72 1wvb s ILE 121 Cb -0.16 -2.05 0.11 0.00 0.01 0.00 0.00 42.46 40.37 1wvb s ILE 121 CO 0.06 0.53 0.16 0.86 0.00 0.00 0.00 174.94 176.55 1wvb s TRP 122 N 0.76 3.63 -0.29 3.97 -0.11 0.28 -0.94 118.94 126.24 1wvb s TRP 122 Ca -0.07 -2.68 -0.22 0.00 1.22 0.00 0.00 56.10 54.35 1wvb s TRP 122 Cb -0.16 -3.10 -0.01 0.00 -1.50 0.00 0.00 33.47 28.71 1wvb s TRP 122 CO 0.00 -0.95 0.70 0.08 -4.62 0.00 0.00 176.95 172.16 1wvb s VAL 123 N 0.92 4.89 -0.15 5.86 1.01 -0.90 -0.38 120.40 131.66 1wvb s VAL 123 Ca 0.10 1.10 -0.33 0.00 0.00 0.00 0.00 61.98 62.85 1wvb s VAL 123 Cb -0.21 -4.04 0.13 0.00 0.00 0.00 0.00 36.38 32.26 1wvb s VAL 123 CO -0.05 -0.12 1.13 -0.62 0.00 0.00 0.00 175.10 175.43 1wvb s ASP 124 N 1.56 -0.20 0.21 3.32 -1.08 -0.55 -1.62 116.67 118.31 1wvb s ASP 124 Ca 0.29 0.03 0.24 0.00 -0.52 0.00 0.00 52.55 52.59 1wvb s ASP 124 Cb -0.15 0.20 0.26 0.00 -1.46 0.00 0.00 42.92 41.77 1wvb s ASP 124 CO 0.11 -0.31 1.31 0.00 0.52 0.00 0.00 175.17 176.79 1wvb h ALA 125 N 2.05 0.65 -2.16 3.66 0.00 -1.76 -2.08 119.26 119.61 1wvb h ALA 125 Ca -0.12 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.22 1wvb h ALA 125 Cb 1.18 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.83 1wvb h ALA 125 CO 0.25 0.00 -0.74 -1.01 0.00 0.00 0.00 179.25 177.76 1wvb s HIS 126 N -3.24 2.14 -1.61 0.00 3.76 -1.26 -0.78 115.29 114.30 1wvb s HIS 126 Ca 0.04 -0.44 0.23 0.00 -0.15 0.00 0.00 55.06 54.74 1wvb s HIS 126 Cb 0.11 -1.00 0.03 0.00 1.11 0.00 0.00 32.58 32.82 1wvb s HIS 126 CO 0.73 0.58 1.10 0.25 -0.85 0.00 0.00 174.74 176.54 1wvb n THR 127 N -0.58 0.00 -3.99 1.30 -2.24 -1.26 -4.89 114.28 102.62 1wvb n THR 127 Ca -0.06 -0.15 -0.29 0.00 -2.27 0.00 0.00 64.05 61.29 1wvb n THR 127 Cb 0.61 1.02 -0.05 0.00 -2.10 0.00 0.00 70.33 69.81 1wvb n THR 127 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1wvb n ASP 128 N -0.66 -0.40 -1.09 3.42 8.00 -1.26 -4.72 116.55 119.84 1wvb n ASP 128 Ca 0.08 -1.04 -0.01 0.00 0.71 0.00 0.00 54.79 54.52 1wvb n ASP 128 Cb 0.40 -1.28 0.14 0.00 -0.02 0.00 0.00 41.12 40.36 1wvb n ASP 128 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wvb n ILE 129 N -4.02 2.02 -2.96 0.53 3.06 -1.24 -1.72 119.36 115.04 1wvb n ILE 129 Ca -0.22 -3.23 -0.34 0.00 -2.50 0.00 0.00 62.75 56.47 1wvb n ILE 129 Cb 0.53 -0.26 -0.06 0.00 0.54 0.00 0.00 39.64 40.39 1wvb n ILE 129 CO 0.00 0.00 0.00 0.20 -2.50 0.00 0.00 176.55 174.25 1wvb s ASN 130 N -3.22 6.97 0.40 9.51 0.01 -1.10 -4.53 114.94 122.99 1wvb s ASN 130 Ca 0.40 1.54 0.08 0.00 -0.71 0.00 0.00 52.86 54.17 1wvb s ASN 130 Cb 0.38 -2.48 -0.01 0.00 0.41 0.00 0.00 41.25 39.55 1wvb s ASN 130 CO -0.05 -0.20 0.43 0.42 -1.51 0.00 0.00 177.10 176.19 1wvb s THR 131 N -1.93 3.02 0.23 1.60 -4.23 -1.26 -4.24 115.64 108.83 1wvb s THR 131 Ca 0.55 -1.21 0.35 0.00 -1.18 0.00 0.00 61.69 60.20 1wvb s THR 131 Cb -0.12 -3.06 0.37 0.00 1.34 0.00 0.00 72.50 71.02 1wvb s THR 131 CO 0.17 -0.04 2.06 -0.65 -0.54 0.00 0.00 174.62 175.63 1wvb h PRO 132 N 0.93 0.00 -0.01 3.99 0.11 -1.95 0.43 132.00 135.49 1wvb h PRO 132 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1wvb h PRO 132 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1wvb h PRO 132 CO 0.53 0.00 -0.46 1.28 -0.21 0.00 0.00 178.00 179.14 1wvb n LEU 133 N -2.82 1.10 -0.02 2.35 4.77 -1.26 -4.33 117.00 116.79 1wvb n LEU 133 Ca -0.01 -0.33 -0.02 0.00 -0.03 0.00 0.00 56.01 55.62 1wvb n LEU 133 Cb 0.13 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1wvb n LEU 133 CO 0.19 0.22 -0.60 0.35 -1.33 0.00 0.00 177.39 176.22 1wvb n THR 134 N -0.85 0.20 -2.19 -5.08 -2.24 -0.05 -5.04 114.28 99.04 1wvb n THR 134 Ca 0.09 -0.11 -0.37 0.00 -2.27 0.00 0.00 64.05 61.38 1wvb n THR 134 Cb 0.37 -0.84 -0.00 0.00 -2.10 0.00 0.00 70.33 67.75 1wvb n THR 134 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1wvb s THR 135 N -2.07 2.96 -0.11 4.28 -1.32 0.13 -4.85 115.64 114.66 1wvb s THR 135 Ca -0.02 0.72 0.03 0.00 -1.21 0.00 0.00 61.69 61.20 1wvb s THR 135 Cb 0.01 -3.36 -0.08 0.00 -1.51 0.00 0.00 72.50 67.55 1wvb s THR 135 CO 0.11 -0.01 -0.07 0.35 -2.21 0.00 0.00 174.62 172.79 1wvb n THR 136 N -0.56 0.66 -0.18 5.08 -2.24 -1.26 -4.57 114.28 111.21 1wvb n THR 136 Ca 0.08 -0.29 -0.06 0.00 -2.27 0.00 0.00 64.05 61.51 1wvb n THR 136 Cb 0.48 -0.87 0.03 0.00 -2.10 0.00 0.00 70.33 67.87 1wvb n THR 136 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1wvb h SER 137 N 0.00 0.57 0.00 3.42 4.64 -1.94 -3.46 113.55 116.78 1wvb h SER 137 Ca -0.26 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1wvb h SER 137 Cb 1.44 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1wvb h SER 137 CO -0.03 0.41 0.00 0.61 -0.87 0.00 0.00 176.83 176.95 1wvb n GLY 138 N -1.25 0.77 3.65 -0.77 0.00 -1.26 -4.89 105.19 101.44 1wvb n GLY 138 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1wvb n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wvb s ASN 139 N -2.86 6.90 0.00 1.61 0.01 -1.26 -1.48 114.94 117.85 1wvb s ASN 139 Ca 0.00 1.12 0.11 0.00 -0.71 0.00 0.00 52.86 53.38 1wvb s ASN 139 Cb 0.00 -2.46 0.52 0.00 0.41 0.00 0.00 41.25 39.72 1wvb s ASN 139 CO 0.00 -0.54 1.31 0.18 -1.51 0.00 0.00 177.10 176.55 1wvb n LEU 140 N 6.00 0.00 0.00 0.60 4.77 -0.78 -2.24 117.00 125.35 1wvb n LEU 140 Ca 0.07 0.40 0.10 0.00 -0.03 0.00 0.00 56.01 56.54 1wvb n LEU 140 Cb 0.47 -0.40 0.59 0.00 -2.33 0.00 0.00 43.42 41.76 1wvb n LEU 140 CO 0.48 -0.25 0.82 0.00 -1.33 0.00 0.00 177.39 177.12 1wvb n HIS 141 N -1.40 0.00 -1.78 -1.77 1.44 0.40 -2.56 115.22 109.55 1wvb n HIS 141 Ca 0.04 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.80 1wvb n HIS 141 Cb 0.11 0.00 0.11 0.00 0.12 0.00 0.00 29.99 30.33 1wvb n HIS 141 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1wvb n GLY 142 N 0.55 3.29 0.00 -1.39 0.00 -0.95 -4.40 105.19 102.29 1wvb n GLY 142 Ca 0.15 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1wvb n GLY 142 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wvb n GLN 143 N -0.60 4.30 -0.31 1.61 6.02 -1.06 -2.70 117.38 124.65 1wvb n GLN 143 Ca 0.12 0.00 0.29 0.00 -0.01 0.00 0.00 57.00 57.40 1wvb n GLN 143 Cb 0.80 -0.54 0.51 0.00 1.02 0.00 0.00 30.24 32.04 1wvb n GLN 143 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1wvb n PRO 144 N -0.30 -0.04 -0.14 -1.09 -0.04 -1.21 -0.44 135.00 131.74 1wvb n PRO 144 Ca 0.00 1.09 -0.06 0.00 -0.04 0.00 0.00 63.50 64.49 1wvb n PRO 144 Cb 0.00 -2.04 0.11 0.00 -0.04 0.00 0.00 33.50 31.53 1wvb n PRO 144 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1wvb h VAL 145 N 0.00 1.25 -0.18 0.52 2.07 -1.62 -2.89 116.25 115.41 1wvb h VAL 145 Ca 0.71 -1.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1wvb h VAL 145 Cb 2.04 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 1wvb h VAL 145 CO -0.54 0.39 0.01 0.77 0.02 0.00 0.00 177.57 178.22 1wvb h SER 146 N 0.81 0.23 1.37 0.57 4.64 -0.91 -2.52 113.55 117.73 1wvb h SER 146 Ca 0.15 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1wvb h SER 146 Cb 0.52 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1wvb h SER 146 CO 0.03 0.26 0.00 -0.26 -0.87 0.00 0.00 176.83 175.99 1wvb h PHE 147 N 0.25 0.00 0.00 4.77 -1.00 -1.56 -3.29 116.94 116.11 1wvb h PHE 147 Ca 0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.84 1wvb h PHE 147 Cb 0.16 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.72 1wvb h PHE 147 CO 0.00 0.00 -1.76 1.28 -1.61 0.00 0.00 178.31 176.23 1wvb n LEU 148 N -2.51 0.23 -4.71 1.54 4.77 -0.97 -4.15 117.00 111.20 1wvb n LEU 148 Ca 0.04 -0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.48 1wvb n LEU 148 Cb 0.39 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1wvb n LEU 148 CO 0.28 0.06 0.67 -0.76 -1.33 0.00 0.00 177.39 176.31 1wvb s LEU 149 N -4.15 4.39 0.40 2.23 1.43 -1.12 -0.83 118.68 121.04 1wvb s LEU 149 Ca -0.04 1.67 0.15 0.00 -1.03 0.00 0.00 54.13 54.88 1wvb s LEU 149 Cb 0.14 -3.56 0.86 0.00 0.03 0.00 0.00 46.19 43.66 1wvb s LEU 149 CO 0.89 -0.22 1.88 0.11 0.23 0.00 0.00 176.35 179.24 1wvb h LYS 150 N 6.58 0.00 -0.33 1.70 1.57 -1.56 -3.17 116.57 121.36 1wvb h LYS 150 Ca -0.41 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.22 1wvb h LYS 150 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 1wvb h LYS 150 CO 0.74 0.31 -0.40 0.93 -0.57 0.00 0.00 179.45 180.46 1wvb h GLU 151 N 0.00 0.80 -0.09 3.15 3.07 -1.92 -2.80 114.58 116.79 1wvb h GLU 151 Ca -0.00 -0.42 0.00 0.00 -0.50 0.00 0.00 59.36 58.44 1wvb h GLU 151 Cb 0.58 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 1wvb h GLU 151 CO 0.04 1.05 0.00 1.28 -1.40 0.00 0.00 179.01 179.98 1wvb n LEU 152 N -4.04 0.47 -3.77 1.33 4.32 -1.20 -4.50 117.00 109.61 1wvb n LEU 152 Ca -0.02 -0.23 -0.42 0.00 -0.02 0.00 0.00 56.01 55.32 1wvb n LEU 152 Cb 0.54 -0.06 -0.01 0.00 -1.62 0.00 0.00 43.42 42.27 1wvb n LEU 152 CO 0.47 0.12 2.55 1.17 -1.22 0.00 0.00 177.39 180.48 1wvb n LYS 153 N -0.25 2.65 0.00 3.23 4.81 -1.06 -1.55 118.16 126.00 1wvb n LYS 153 Ca 0.03 -2.52 0.00 0.00 -0.87 0.00 0.00 58.31 54.95 1wvb n LYS 153 Cb 0.07 -3.25 0.00 0.00 0.02 0.00 0.00 35.03 31.87 1wvb n LYS 153 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wvb n GLY 154 N 4.25 0.00 1.20 3.14 0.00 -1.26 -5.00 105.19 107.52 1wvb n GLY 154 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1wvb n GLY 154 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wvb n LYS 155 N 0.00 0.00 -1.62 1.61 4.76 -0.60 -5.05 118.16 117.27 1wvb n LYS 155 Ca 0.00 0.00 -0.59 0.00 -2.87 0.00 0.00 58.31 54.85 1wvb n LYS 155 Cb 0.00 -0.42 -0.08 0.00 -1.84 0.00 0.00 35.03 32.69 1wvb n LYS 155 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1wvb n ILE 156 N -3.50 0.06 -2.57 -0.18 -0.00 -1.12 -4.95 119.36 107.09 1wvb n ILE 156 Ca 0.00 -0.01 -0.25 0.00 -0.00 0.00 0.00 62.75 62.49 1wvb n ILE 156 Cb 0.00 -0.53 0.03 0.00 -0.00 0.00 0.00 39.64 39.13 1wvb n ILE 156 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1wvb s PRO 157 N 1.52 2.93 -0.83 0.38 0.04 -1.26 -4.98 135.00 132.80 1wvb s PRO 157 Ca 0.94 -0.18 -0.25 0.00 0.04 0.00 0.00 61.00 61.55 1wvb s PRO 157 Cb -1.22 -2.36 -0.06 0.00 0.04 0.00 0.00 34.50 30.90 1wvb s PRO 157 CO 0.63 -0.59 2.02 -0.51 0.04 0.00 0.00 177.00 178.58 1wvb s ASP 158 N -4.29 4.96 -0.26 6.66 1.01 -1.26 -4.95 116.67 118.53 1wvb s ASP 158 Ca 0.53 -0.36 -0.20 0.00 0.71 0.00 0.00 52.55 53.23 1wvb s ASP 158 Cb -0.10 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.26 1wvb s ASP 158 CO 0.43 -2.86 0.64 -0.69 0.21 0.00 0.00 175.17 172.90 1wvb s VAL 159 N 10.68 4.97 -0.04 -1.27 1.01 -1.26 -5.00 120.40 129.49 1wvb s VAL 159 Ca 0.74 1.09 -0.39 0.00 0.00 0.00 0.00 61.98 63.42 1wvb s VAL 159 Cb -0.09 -3.95 -0.18 0.00 0.00 0.00 0.00 36.38 32.16 1wvb s VAL 159 CO 0.05 -0.01 1.33 -2.65 0.00 0.00 0.00 175.10 173.82 1wvb n PRO 160 N 5.76 0.70 0.00 2.72 -0.02 -1.26 -1.21 135.00 141.69 1wvb n PRO 160 Ca -0.00 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1wvb n PRO 160 Cb 0.49 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 1wvb n PRO 160 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wvb n GLY 161 N 2.56 0.27 0.09 -1.23 0.00 -1.26 -2.91 105.19 102.70 1wvb n GLY 161 Ca 0.21 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.26 1wvb n GLY 161 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wvb n PHE 162 N -1.80 0.06 0.29 1.61 3.01 -0.35 -4.00 117.46 116.28 1wvb n PHE 162 Ca 0.00 -0.64 0.16 0.00 1.01 0.00 0.00 57.45 57.97 1wvb n PHE 162 Cb 0.00 -0.08 0.85 0.00 -0.01 0.00 0.00 39.48 40.24 1wvb n PHE 162 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1wvb h SER 163 N 0.20 0.00 1.24 4.37 4.64 -1.93 -0.77 113.55 121.31 1wvb h SER 163 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wvb h SER 163 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1wvb h SER 163 CO 0.01 0.06 0.00 4.11 -0.87 0.00 0.00 176.83 180.14 1wvb h TRP 164 N 0.00 0.00 -3.89 4.77 5.08 -1.97 -3.45 115.95 116.49 1wvb h TRP 164 Ca -0.00 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.47 1wvb h TRP 164 Cb 0.23 0.00 0.04 0.00 -3.00 0.00 0.00 29.16 26.42 1wvb h TRP 164 CO 0.00 0.00 0.49 0.08 -1.28 0.00 0.00 178.44 177.73 1wvb s VAL 165 N -3.42 3.33 -0.08 0.12 1.01 -0.30 -5.05 120.40 116.01 1wvb s VAL 165 Ca 0.04 1.19 -0.03 0.00 0.00 0.00 0.00 61.98 63.18 1wvb s VAL 165 Cb 0.08 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.81 1wvb s VAL 165 CO 0.55 0.18 0.11 -0.89 0.00 0.00 0.00 175.10 175.04 1wvb s THR 166 N -1.34 -0.17 -0.24 3.92 2.01 -1.26 -5.11 115.64 113.44 1wvb s THR 166 Ca 0.52 0.31 -0.38 0.00 0.31 0.00 0.00 61.69 62.45 1wvb s THR 166 Cb -0.30 -0.28 -0.14 0.00 0.01 0.00 0.00 72.50 71.79 1wvb s THR 166 CO 0.39 0.10 1.83 -2.65 -0.69 0.00 0.00 174.62 173.59 1wvb n PRO 167 N 5.31 1.41 0.00 4.92 -0.02 -1.26 -4.88 135.00 140.47 1wvb n PRO 167 Ca -0.04 0.51 0.06 0.00 -2.02 0.00 0.00 63.50 62.00 1wvb n PRO 167 Cb 0.50 -2.27 0.03 0.00 -0.02 0.00 0.00 33.50 31.73 1wvb n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wvb s ILE 169 N -1.17 0.12 0.32 0.00 -4.36 -0.85 -4.98 121.20 110.28 1wvb s ILE 169 Ca 0.12 -0.96 0.09 0.00 -0.26 0.00 0.00 60.65 59.64 1wvb s ILE 169 Cb 0.09 -0.97 -0.04 0.00 1.25 0.00 0.00 42.46 42.79 1wvb s ILE 169 CO 0.20 -0.53 0.08 -0.94 0.24 0.00 0.00 174.94 173.99 1wvb s SER 170 N -2.20 4.55 0.41 4.36 1.04 -1.26 -1.59 113.70 119.00 1wvb s SER 170 Ca -0.04 -0.78 0.24 0.00 0.48 0.00 0.00 55.95 55.85 1wvb s SER 170 Cb -0.00 -0.72 1.29 0.00 0.10 0.00 0.00 66.02 66.68 1wvb s SER 170 CO -0.05 -0.21 1.66 0.00 0.98 0.00 0.00 173.24 175.62 1wvb h ALA 171 N 1.68 2.43 -0.12 5.32 0.00 -1.95 0.24 119.26 126.87 1wvb h ALA 171 Ca -0.44 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1wvb h ALA 171 Cb 1.25 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1wvb h ALA 171 CO 0.63 -1.03 0.07 0.36 0.00 0.00 0.00 179.25 179.29 1wvb n LYS 172 N -4.79 1.22 0.00 0.00 2.85 -1.26 -3.01 118.16 113.17 1wvb n LYS 172 Ca 0.34 -0.40 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 1wvb n LYS 172 Cb 1.22 -1.23 0.00 0.00 -0.65 0.00 0.00 35.03 34.37 1wvb n LYS 172 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1wvb n ASP 173 N 0.25 0.18 -4.24 -5.58 8.00 0.84 -4.99 116.55 111.02 1wvb n ASP 173 Ca 0.07 -0.86 -0.22 0.00 0.71 0.00 0.00 54.79 54.50 1wvb n ASP 173 Cb 0.61 0.04 -0.12 0.00 -0.02 0.00 0.00 41.12 41.62 1wvb n ASP 173 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1wvb s ILE 174 N -0.04 1.50 -0.03 0.53 2.07 -1.16 -0.02 121.20 124.05 1wvb s ILE 174 Ca 0.00 -1.43 0.00 0.00 -1.41 0.00 0.00 60.65 57.81 1wvb s ILE 174 Cb 0.00 -1.38 0.03 0.00 0.13 0.00 0.00 42.46 41.24 1wvb s ILE 174 CO 0.00 -0.10 0.01 -0.69 -1.91 0.00 0.00 174.94 172.26 1wvb s VAL 175 N -1.17 0.08 0.01 4.00 1.01 -0.51 -4.11 120.40 119.71 1wvb s VAL 175 Ca 0.04 0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.12 1wvb s VAL 175 Cb -0.10 -0.20 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 1wvb s VAL 175 CO 0.03 0.13 0.25 -0.31 0.00 0.00 0.00 175.10 175.20 1wvb s TYR 176 N 1.13 3.56 -0.08 5.22 2.02 -1.03 0.98 117.35 129.16 1wvb s TYR 176 Ca -0.08 0.51 -0.03 0.00 -0.37 0.00 0.00 57.07 57.09 1wvb s TYR 176 Cb -0.13 -1.94 0.04 0.00 -0.40 0.00 0.00 41.96 39.53 1wvb s TYR 176 CO -0.02 0.62 0.16 0.42 -1.57 0.00 0.00 175.55 175.15 1wvb s ILE 177 N -1.32 -0.15 0.00 2.71 1.01 0.49 -0.54 121.20 123.39 1wvb s ILE 177 Ca 0.28 0.26 0.00 0.00 0.00 0.00 0.00 60.65 61.19 1wvb s ILE 177 Cb -0.13 -0.28 0.00 0.00 0.01 0.00 0.00 42.46 42.06 1wvb s ILE 177 CO 0.17 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.83 1wvb n GLY 178 N 4.72 0.69 3.67 6.18 0.00 -0.60 -1.48 105.19 118.37 1wvb n GLY 178 Ca -0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.42 1wvb n GLY 178 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wvb n LEU 179 N 0.00 3.96 0.00 0.99 4.77 -0.78 -4.06 117.00 121.87 1wvb n LEU 179 Ca 0.00 0.94 0.00 0.00 -0.03 0.00 0.00 56.01 56.92 1wvb n LEU 179 Cb 0.00 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 39.60 1wvb n LEU 179 CO 0.00 0.13 0.03 -2.11 -1.33 0.00 0.00 177.39 174.11 1wvb n ARG 180 N 6.79 0.00 -3.13 3.23 1.85 -0.09 -1.46 116.66 123.85 1wvb n ARG 180 Ca 0.20 -0.07 -0.20 0.00 -1.00 0.00 0.00 57.85 56.78 1wvb n ARG 180 Cb 0.37 -0.45 -0.05 0.00 -1.05 0.00 0.00 32.46 31.29 1wvb n ARG 180 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1wvb n ASP 181 N 0.00 -0.89 -4.62 2.89 2.03 0.04 -5.05 116.55 110.95 1wvb n ASP 181 Ca 0.00 -2.73 -0.34 0.00 0.52 0.00 0.00 54.79 52.23 1wvb n ASP 181 Cb 0.29 0.04 -0.10 0.00 -0.72 0.00 0.00 41.12 40.63 1wvb n ASP 181 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1wvb s VAL 182 N -0.33 4.35 0.60 5.18 1.01 -1.26 -4.44 120.40 125.52 1wvb s VAL 182 Ca 0.33 -0.21 -0.13 0.00 0.00 0.00 0.00 61.98 61.97 1wvb s VAL 182 Cb 0.13 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1wvb s VAL 182 CO -0.15 0.54 1.03 -1.81 0.00 0.00 0.00 175.10 174.70 1wvb s ASP 183 N -0.21 6.09 0.18 3.32 1.01 -1.26 -4.83 116.67 120.97 1wvb s ASP 183 Ca 0.06 1.57 -0.13 0.00 0.71 0.00 0.00 52.55 54.75 1wvb s ASP 183 Cb -0.12 -2.50 0.16 0.00 1.01 0.00 0.00 42.92 41.47 1wvb s ASP 183 CO 0.02 -0.96 1.75 -0.65 0.21 0.00 0.00 175.17 175.54 1wvb h PRO 184 N 0.07 0.35 0.25 8.23 0.11 -1.99 0.80 132.00 139.83 1wvb h PRO 184 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1wvb h PRO 184 Cb 1.20 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1wvb h PRO 184 CO 0.60 0.23 -0.26 0.78 -0.21 0.00 0.00 178.00 179.15 1wvb h GLY 185 N 0.36 -0.57 0.66 -0.55 0.00 -1.93 1.10 103.07 102.15 1wvb h GLY 185 Ca 0.23 0.29 0.11 0.00 0.00 0.00 0.00 47.33 47.97 1wvb h GLY 185 CO -0.23 -0.23 0.57 0.83 0.00 0.00 0.00 176.54 177.48 1wvb h GLU 186 N -0.54 0.77 -0.22 4.80 5.08 -1.70 -0.49 114.58 122.27 1wvb h GLU 186 Ca -0.00 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.18 1wvb h GLU 186 Cb 0.50 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1wvb h GLU 186 CO -0.06 0.51 -0.38 1.25 -1.00 0.00 0.00 179.01 179.33 1wvb h HIS 187 N 0.79 0.81 -0.80 4.33 2.76 0.18 0.85 115.15 124.07 1wvb h HIS 187 Ca 0.42 -0.28 0.08 0.00 -2.20 0.00 0.00 60.37 58.38 1wvb h HIS 187 Cb 0.53 -0.16 -0.07 0.00 1.55 0.00 0.00 27.41 29.27 1wvb h HIS 187 CO -0.00 1.04 0.47 -0.92 -1.30 0.00 0.00 177.93 177.22 1wvb h TYR 188 N 0.35 0.86 -0.28 5.26 3.20 0.24 -1.73 116.97 124.87 1wvb h TYR 188 Ca 0.02 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.85 1wvb h TYR 188 Cb 0.97 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 1wvb h TYR 188 CO 0.08 0.39 -0.09 0.82 -1.64 0.00 0.00 178.16 177.72 1wvb h ILE 189 N 0.82 1.29 -0.09 1.81 2.04 -0.99 -1.42 117.51 120.96 1wvb h ILE 189 Ca 0.37 -1.14 0.04 0.00 1.00 0.00 0.00 64.86 65.12 1wvb h ILE 189 Cb 0.27 1.45 -0.06 0.00 -0.74 0.00 0.00 36.82 37.74 1wvb h ILE 189 CO -0.21 0.36 -0.41 -0.07 0.00 0.00 0.00 178.15 177.82 1wvb h LEU 190 N 0.31 -1.28 -0.84 1.44 3.38 0.03 -0.46 115.31 117.89 1wvb h LEU 190 Ca 0.07 0.17 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 1wvb h LEU 190 Cb 0.58 0.52 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1wvb h LEU 190 CO 0.03 -0.43 -0.31 0.11 0.09 0.00 0.00 178.44 177.93 1wvb h LYS 191 N -0.51 0.50 -0.10 1.13 1.79 -1.43 -1.99 116.57 115.97 1wvb h LYS 191 Ca 0.07 -0.22 -0.05 0.00 -2.18 0.00 0.00 60.65 58.28 1wvb h LYS 191 Cb 0.63 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.26 1wvb h LYS 191 CO -0.37 0.76 -0.12 1.15 -1.08 0.00 0.00 179.45 179.79 1wvb h THR 192 N 0.43 1.37 -0.16 -0.16 2.02 -0.81 -3.10 112.91 112.50 1wvb h THR 192 Ca 0.05 -1.32 0.00 0.00 0.77 0.00 0.00 66.41 65.91 1wvb h THR 192 Cb 0.76 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 1wvb h THR 192 CO 0.06 0.38 0.00 0.18 0.37 0.00 0.00 175.52 176.51 1wvb n LEU 193 N -4.62 1.55 -4.08 2.58 4.32 -0.22 -4.91 117.00 111.61 1wvb n LEU 193 Ca -0.07 -0.78 -0.31 0.00 -0.02 0.00 0.00 56.01 54.83 1wvb n LEU 193 Cb 0.35 -0.33 -0.02 0.00 -1.62 0.00 0.00 43.42 41.80 1wvb n LEU 193 CO 0.38 0.29 -0.09 0.61 -1.22 0.00 0.00 177.39 177.36 1wvb n GLY 194 N 0.48 -0.36 3.75 -0.72 0.00 -1.13 -4.81 105.19 102.39 1wvb n GLY 194 Ca 0.06 0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1wvb n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wvb s ILE 195 N -3.56 3.59 -0.05 -0.61 1.01 -0.76 -4.88 121.20 115.94 1wvb s ILE 195 Ca 0.44 1.44 -0.30 0.00 0.00 0.00 0.00 60.65 62.23 1wvb s ILE 195 Cb -0.24 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 1wvb s ILE 195 CO 0.90 0.28 1.15 -0.75 0.00 0.00 0.00 174.94 176.51 1wvb s LYS 196 N -0.72 4.39 0.04 2.79 2.47 -1.26 -4.93 119.74 122.53 1wvb s LYS 196 Ca 0.49 1.60 -0.20 0.00 -1.56 0.00 0.00 55.97 56.30 1wvb s LYS 196 Cb -0.32 -3.53 0.04 0.00 -1.46 0.00 0.00 37.83 32.57 1wvb s LYS 196 CO 0.38 -0.38 0.47 1.52 0.16 0.00 0.00 175.35 177.50 1wvb s TYR 197 N 2.00 -0.34 -0.32 4.03 -0.85 -1.26 -2.46 117.35 118.14 1wvb s TYR 197 Ca 0.54 0.35 -0.01 0.00 -0.52 0.00 0.00 57.07 57.43 1wvb s TYR 197 Cb -0.23 0.28 0.11 0.00 0.38 0.00 0.00 41.96 42.49 1wvb s TYR 197 CO 0.22 -0.60 0.12 -0.06 -1.52 0.00 0.00 175.55 173.71 1wvb s PHE 198 N -2.44 1.32 1.00 -3.49 0.40 0.30 -4.91 117.98 110.17 1wvb s PHE 198 Ca -0.05 -1.57 -0.16 0.00 -0.60 0.00 0.00 56.93 54.54 1wvb s PHE 198 Cb -0.01 -1.48 0.21 0.00 0.51 0.00 0.00 43.02 42.25 1wvb s PHE 198 CO -0.02 -0.86 1.25 -1.54 0.70 0.00 0.00 175.22 174.75 1wvb s SER 199 N 1.60 2.74 0.60 1.36 1.04 -1.26 -1.56 113.70 118.22 1wvb s SER 199 Ca 0.11 0.45 0.31 0.00 0.48 0.00 0.00 55.95 57.29 1wvb s SER 199 Cb -0.18 -0.62 1.81 0.00 0.10 0.00 0.00 66.02 67.14 1wvb s SER 199 CO -0.24 -2.98 2.19 0.24 0.98 0.00 0.00 173.24 173.42 1wvb h MET 200 N -1.81 0.00 -0.50 4.02 2.86 -1.47 -1.49 114.93 116.55 1wvb h MET 200 Ca -0.45 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.15 1wvb h MET 200 Cb 1.26 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.90 1wvb h MET 200 CO 0.41 0.00 0.17 1.15 1.06 0.00 0.00 176.91 179.70 1wvb h THR 201 N 0.00 1.22 -0.16 2.22 2.02 -1.90 -1.75 112.91 114.56 1wvb h THR 201 Ca 0.04 -0.73 -0.15 0.00 0.77 0.00 0.00 66.41 66.34 1wvb h THR 201 Cb 0.24 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1wvb h THR 201 CO -0.00 0.27 -0.53 -0.33 0.37 0.00 0.00 175.52 175.30 1wvb h GLU 202 N 0.66 0.46 -0.29 6.66 3.07 -1.61 -1.72 114.58 121.82 1wvb h GLU 202 Ca 0.16 -0.28 -0.01 0.00 -0.50 0.00 0.00 59.36 58.73 1wvb h GLU 202 Cb 0.25 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 1wvb h GLU 202 CO -0.01 0.87 0.13 0.28 -1.40 0.00 0.00 179.01 178.88 1wvb h VAL 203 N 0.36 1.16 -0.26 3.13 2.07 -1.30 0.23 116.25 121.64 1wvb h VAL 203 Ca 0.01 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 1wvb h VAL 203 Cb 1.04 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1wvb h VAL 203 CO 0.09 0.17 -0.03 0.44 0.02 0.00 0.00 177.57 178.27 1wvb h ASP 204 N 0.32 0.37 0.21 0.57 3.32 -1.21 0.42 116.42 120.41 1wvb h ASP 204 Ca 0.10 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1wvb h ASP 204 Cb 0.15 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1wvb h ASP 204 CO -0.01 0.45 -0.10 -0.09 -1.72 0.00 0.00 179.24 177.77 1wvb h ARG 205 N 0.38 -0.27 0.03 3.56 2.43 -0.73 -3.40 114.38 116.38 1wvb h ARG 205 Ca 0.08 0.02 -0.32 0.00 -0.81 0.00 0.00 59.98 58.95 1wvb h ARG 205 Cb 0.30 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.86 1wvb h ARG 205 CO 0.01 0.06 -1.89 1.28 -1.51 0.00 0.00 179.97 177.92 1wvb n LEU 206 N -4.96 1.32 0.00 3.80 4.77 0.75 -5.09 117.00 117.60 1wvb n LEU 206 Ca -0.07 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1wvb n LEU 206 Cb 0.23 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1wvb n LEU 206 CO 0.20 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 1wvb n GLY 207 N 1.72 2.29 0.35 -0.72 0.00 0.15 -4.33 105.19 104.65 1wvb n GLY 207 Ca -0.24 -1.73 0.04 0.00 0.00 0.00 0.00 46.02 44.09 1wvb n GLY 207 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1wvb h ILE 208 N 0.00 1.09 0.46 -0.61 6.09 -1.92 -0.46 117.51 122.16 1wvb h ILE 208 Ca 0.00 -0.29 -0.02 0.00 -1.37 0.00 0.00 64.86 63.18 1wvb h ILE 208 Cb 0.00 0.16 -0.00 0.00 0.47 0.00 0.00 36.82 37.44 1wvb h ILE 208 CO 0.00 0.16 -0.30 1.23 -3.07 0.00 0.00 178.15 176.17 1wvb h GLY 209 N 0.85 -0.94 -0.04 8.18 0.00 -1.95 0.14 103.07 109.31 1wvb h GLY 209 Ca 0.30 0.39 0.02 0.00 0.00 0.00 0.00 47.33 48.04 1wvb h GLY 209 CO -0.09 -0.32 -0.54 1.70 0.00 0.00 0.00 176.54 177.29 1wvb h LYS 210 N -0.72 -0.62 -0.91 4.80 1.63 -1.72 -1.71 116.57 117.32 1wvb h LYS 210 Ca -0.06 0.04 0.26 0.00 -0.85 0.00 0.00 60.65 60.04 1wvb h LYS 210 Cb 0.58 0.14 -0.17 0.00 -0.60 0.00 0.00 32.23 32.18 1wvb h LYS 210 CO 0.05 -0.41 0.07 0.28 -3.45 0.00 0.00 179.45 175.98 1wvb n VAL 211 N -5.43 -0.38 0.05 2.00 0.31 -0.19 0.19 118.33 114.88 1wvb n VAL 211 Ca -0.07 1.98 -0.10 0.00 -0.01 0.00 0.00 64.34 66.14 1wvb n VAL 211 Cb 0.39 -2.92 0.03 0.00 -0.91 0.00 0.00 33.84 30.43 1wvb n VAL 211 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1wvb h MET 212 N 0.00 0.40 0.00 5.55 2.86 0.08 -2.73 114.93 121.09 1wvb h MET 212 Ca 0.57 -0.33 -0.05 0.00 -2.06 0.00 0.00 59.70 57.83 1wvb h MET 212 Cb 1.22 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.94 1wvb h MET 212 CO -0.84 0.97 -0.23 1.49 1.06 0.00 0.00 176.91 179.36 1wvb h GLU 213 N 0.27 0.00 0.22 1.72 4.81 0.59 -2.13 114.58 120.06 1wvb h GLU 213 Ca -0.03 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.89 1wvb h GLU 213 Cb 1.30 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.71 1wvb h GLU 213 CO 0.12 0.23 -1.38 0.93 -0.73 0.00 0.00 179.01 178.19 1wvb h GLU 214 N 0.00 0.46 -0.01 1.92 5.08 -1.24 -1.58 114.58 119.22 1wvb h GLU 214 Ca -0.00 -0.79 -0.07 0.00 -1.00 0.00 0.00 59.36 57.49 1wvb h GLU 214 Cb 0.48 0.29 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1wvb h GLU 214 CO 0.03 1.38 -0.33 1.79 -1.00 0.00 0.00 179.01 180.87 1wvb h THR 215 N 0.01 1.24 -0.00 1.13 1.35 -1.31 0.76 112.91 116.09 1wvb h THR 215 Ca -0.25 -1.16 -0.09 0.00 -0.55 0.00 0.00 66.41 64.37 1wvb h THR 215 Cb 2.04 1.62 0.01 0.00 -1.73 0.00 0.00 68.15 70.08 1wvb h THR 215 CO 0.23 0.33 -0.33 -0.07 -0.25 0.00 0.00 175.52 175.43 1wvb h LEU 216 N 0.01 0.30 -1.60 3.87 3.38 -1.44 0.10 115.31 119.92 1wvb h LEU 216 Ca -0.00 -0.77 -0.02 0.00 0.09 0.00 0.00 57.88 57.17 1wvb h LEU 216 Cb 0.60 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1wvb h LEU 216 CO 0.04 1.03 -0.01 0.28 0.09 0.00 0.00 178.44 179.87 1wvb h SER 217 N -0.41 0.22 0.23 -0.43 0.02 -1.03 0.17 113.55 112.32 1wvb h SER 217 Ca -0.04 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1wvb h SER 217 Cb 1.08 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.56 1wvb h SER 217 CO 0.07 0.27 -0.11 0.22 -1.14 0.00 0.00 176.83 176.14 1wvb h TYR 218 N 0.24 -0.28 0.00 3.45 3.20 0.70 -3.12 116.97 121.15 1wvb h TYR 218 Ca 0.06 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.82 1wvb h TYR 218 Cb 0.18 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 1wvb h TYR 218 CO 0.00 0.10 -0.49 -0.07 -1.64 0.00 0.00 178.16 176.06 1wvb h LEU 219 N -0.78 0.00 -4.13 2.82 3.38 -0.53 -3.32 115.31 112.75 1wvb h LEU 219 Ca -0.03 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.34 1wvb h LEU 219 Cb 0.51 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.87 1wvb h LEU 219 CO 0.05 0.49 -0.39 0.18 0.09 0.00 0.00 178.44 178.87 1wvb n LEU 220 N -3.53 5.49 0.00 1.67 4.77 0.57 -4.79 117.00 121.17 1wvb n LEU 220 Ca -0.00 -4.83 0.00 0.00 -0.03 0.00 0.00 56.01 51.14 1wvb n LEU 220 Cb 0.60 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1wvb n LEU 220 CO 0.39 2.03 0.03 0.61 -1.33 0.00 0.00 177.39 179.12 1wvb n GLY 221 N -0.66 -0.01 0.00 -0.72 0.00 -1.18 -4.46 105.19 98.16 1wvb n GLY 221 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1wvb n GLY 221 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wvb n ARG 222 N -1.50 0.00 -4.09 1.61 5.12 -1.26 -4.84 116.66 111.71 1wvb n ARG 222 Ca 0.00 0.81 -0.10 0.00 -1.93 0.00 0.00 57.85 56.63 1wvb n ARG 222 Cb 0.00 -1.37 -0.08 0.00 -1.16 0.00 0.00 32.46 29.85 1wvb n ARG 222 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1wvb s LYS 223 N -2.50 1.32 0.25 5.56 -0.14 -1.26 -5.14 119.74 117.84 1wvb s LYS 223 Ca 0.00 -1.41 -0.30 0.00 -1.36 0.00 0.00 55.97 52.90 1wvb s LYS 223 Cb 0.00 0.36 -0.09 0.00 -1.68 0.00 0.00 37.83 36.42 1wvb s LYS 223 CO 0.00 -0.49 1.09 0.15 -0.76 0.00 0.00 175.35 175.34 1wvb s LYS 224 N -4.07 4.64 0.03 1.68 3.01 -1.26 -4.56 119.74 119.21 1wvb s LYS 224 Ca 0.29 1.77 -0.10 0.00 -1.01 0.00 0.00 55.97 56.91 1wvb s LYS 224 Cb 0.03 -3.22 0.01 0.00 -1.01 0.00 0.00 37.83 33.65 1wvb s LYS 224 CO 0.09 0.19 0.22 -0.98 0.51 0.00 0.00 175.35 175.38 1wvb s ARG 225 N -1.14 0.69 0.23 1.68 1.70 -1.26 -5.13 118.95 115.73 1wvb s ARG 225 Ca 0.46 -0.55 -0.31 0.00 -0.47 0.00 0.00 55.73 54.85 1wvb s ARG 225 Cb -0.31 0.29 -0.13 0.00 -0.57 0.00 0.00 34.95 34.23 1wvb s ARG 225 CO 0.39 -0.20 1.49 -2.30 -1.08 0.00 0.00 175.30 173.60 1wvb n PRO 226 N 0.78 2.23 -4.00 3.89 -0.02 -1.26 -4.67 135.00 131.95 1wvb n PRO 226 Ca -0.19 0.80 -0.31 0.00 -2.02 0.00 0.00 63.50 61.77 1wvb n PRO 226 Cb 0.58 -2.51 -0.05 0.00 -0.02 0.00 0.00 33.50 31.50 1wvb n PRO 226 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1wvb s ILE 227 N 0.19 4.90 -0.11 4.25 -1.09 0.16 0.19 121.20 129.70 1wvb s ILE 227 Ca 0.70 -0.58 -0.01 0.00 -2.23 0.00 0.00 60.65 58.53 1wvb s ILE 227 Cb -0.62 -3.37 0.03 0.00 -1.58 0.00 0.00 42.46 36.93 1wvb s ILE 227 CO 0.46 0.15 -0.05 -2.28 -1.23 0.00 0.00 174.94 171.99 1wvb s HIS 228 N -1.42 1.31 -0.28 3.97 5.65 0.32 -0.17 115.29 124.67 1wvb s HIS 228 Ca 0.31 -0.65 -0.07 0.00 0.25 0.00 0.00 55.06 54.89 1wvb s HIS 228 Cb -0.12 -1.14 -0.01 0.00 -1.18 0.00 0.00 32.58 30.13 1wvb s HIS 228 CO 0.24 -0.49 0.09 -1.17 -0.65 0.00 0.00 174.74 172.76 1wvb s LEU 229 N 1.76 3.76 -0.52 8.88 2.96 0.03 -0.21 118.68 135.35 1wvb s LEU 229 Ca 0.04 -0.51 -0.16 0.00 -0.22 0.00 0.00 54.13 53.28 1wvb s LEU 229 Cb -0.13 -1.92 0.11 0.00 0.50 0.00 0.00 46.19 44.76 1wvb s LEU 229 CO -0.07 -0.14 0.47 -0.44 -1.32 0.00 0.00 176.35 174.84 1wvb s SER 230 N 1.56 6.18 -0.51 3.68 0.01 -0.11 -1.14 113.70 123.37 1wvb s SER 230 Ca 0.04 -1.62 -0.14 0.00 1.31 0.00 0.00 55.95 55.54 1wvb s SER 230 Cb -0.16 -2.20 0.12 0.00 0.21 0.00 0.00 66.02 63.98 1wvb s SER 230 CO 0.03 -0.79 0.44 0.12 0.41 0.00 0.00 173.24 173.45 1wvb s PHE 231 N 1.64 3.29 -0.24 2.43 2.19 0.03 -2.11 117.98 125.22 1wvb s PHE 231 Ca 0.04 -1.38 -0.24 0.00 0.33 0.00 0.00 56.93 55.67 1wvb s PHE 231 Cb -0.28 -3.59 -0.01 0.00 -1.31 0.00 0.00 43.02 37.83 1wvb s PHE 231 CO 0.04 -0.97 0.80 0.34 1.83 0.00 0.00 175.22 177.26 1wvb s ASP 232 N 3.16 6.81 0.66 6.13 -1.08 -0.64 -0.99 116.67 130.72 1wvb s ASP 232 Ca 0.04 1.01 0.44 0.00 -0.52 0.00 0.00 52.55 53.52 1wvb s ASP 232 Cb -0.28 -2.42 2.40 0.00 -1.46 0.00 0.00 42.92 41.16 1wvb s ASP 232 CO 0.03 -0.49 2.36 0.58 0.52 0.00 0.00 175.17 178.17 1wvb h VAL 233 N 5.41 0.00 0.00 1.11 2.07 -1.51 0.23 116.25 123.56 1wvb h VAL 233 Ca -0.24 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1wvb h VAL 233 Cb 1.10 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1wvb h VAL 233 CO 0.86 0.00 0.00 -0.90 0.02 0.00 0.00 177.57 177.55 1wvb n ASP 234 N -3.07 0.00 0.22 0.57 3.85 -1.26 -2.40 116.55 114.45 1wvb n ASP 234 Ca -0.03 0.09 0.07 0.00 -0.71 0.00 0.00 54.79 54.21 1wvb n ASP 234 Cb 0.08 -0.34 0.51 0.00 -1.35 0.00 0.00 41.12 40.01 1wvb n ASP 234 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 1wvb h GLY 235 N 3.99 0.00 -1.72 6.12 0.00 -1.22 -3.39 103.07 106.85 1wvb h GLY 235 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 1wvb h GLY 235 CO 0.00 0.00 0.24 1.08 0.00 0.00 0.00 176.54 177.86 1wvb s LEU 236 N -7.78 3.43 0.33 3.11 1.43 -1.01 -2.73 118.68 115.46 1wvb s LEU 236 Ca -0.03 1.10 -0.29 0.00 -1.03 0.00 0.00 54.13 53.88 1wvb s LEU 236 Cb 0.14 -4.07 -0.10 0.00 0.03 0.00 0.00 46.19 42.18 1wvb s LEU 236 CO 0.67 -0.75 1.28 -0.62 0.23 0.00 0.00 176.35 177.16 1wvb s ASP 237 N -4.16 6.82 0.46 2.29 -1.08 0.48 -4.56 116.67 116.94 1wvb s ASP 237 Ca 0.51 2.63 0.19 0.00 -0.52 0.00 0.00 52.55 55.37 1wvb s ASP 237 Cb -0.11 -2.65 1.05 0.00 -1.46 0.00 0.00 42.92 39.76 1wvb s ASP 237 CO 0.48 -0.49 1.53 -0.65 0.52 0.00 0.00 175.17 176.56 1wvb h PRO 238 N 3.41 0.00 0.00 4.34 0.11 -1.82 0.23 132.00 138.27 1wvb h PRO 238 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1wvb h PRO 238 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1wvb h PRO 238 CO 0.65 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.31 1wvb n SER 239 N -2.39 0.00 0.00 -2.05 3.41 -1.26 -2.57 113.62 108.77 1wvb n SER 239 Ca -0.01 -1.13 0.00 0.00 -0.26 0.00 0.00 58.87 57.46 1wvb n SER 239 Cb 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1wvb n SER 239 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1wvb n PHE 240 N -0.93 0.00 -3.24 7.33 3.72 0.77 -4.90 117.46 120.22 1wvb n PHE 240 Ca 0.21 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.35 1wvb n PHE 240 Cb 0.09 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.57 1wvb n PHE 240 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1wvb n THR 241 N -2.37 1.42 -0.22 4.37 -2.24 -0.89 -3.72 114.28 110.63 1wvb n THR 241 Ca 0.00 -4.91 -0.07 0.00 -2.27 0.00 0.00 64.05 56.80 1wvb n THR 241 Cb 0.43 -1.71 0.03 0.00 -2.10 0.00 0.00 70.33 66.98 1wvb n THR 241 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1wvb h PRO 242 N 3.75 0.93 -4.29 -0.78 0.13 -1.74 -3.37 132.00 126.62 1wvb h PRO 242 Ca 0.14 -0.18 -0.68 0.00 -0.87 0.00 0.00 66.00 64.41 1wvb h PRO 242 Cb 0.72 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1wvb h PRO 242 CO 0.70 0.80 2.73 0.00 -0.23 0.00 0.00 178.00 182.00 1wvb n ALA 243 N -2.38 4.52 -3.08 -0.56 0.00 -1.26 -4.76 120.51 112.98 1wvb n ALA 243 Ca 0.04 -3.64 -0.12 0.00 0.00 0.00 0.00 53.44 49.72 1wvb n ALA 243 Cb 0.18 -3.58 -0.09 0.00 0.00 0.00 0.00 19.45 15.97 1wvb n ALA 243 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1wvb s THR 244 N 4.12 0.08 0.12 0.00 -4.23 -1.26 0.47 115.64 114.94 1wvb s THR 244 Ca 0.52 -0.65 -0.30 0.00 -1.18 0.00 0.00 61.69 60.07 1wvb s THR 244 Cb 0.13 -0.70 -0.08 0.00 1.34 0.00 0.00 72.50 73.19 1wvb s THR 244 CO 0.00 -0.36 1.58 1.23 -0.54 0.00 0.00 174.62 176.54 1wvb h GLY 245 N 3.73 -0.80 -7.00 3.99 0.00 -1.89 -3.38 103.07 97.72 1wvb h GLY 245 Ca -0.31 0.53 -0.63 0.00 0.00 0.00 0.00 47.33 46.93 1wvb h GLY 245 CO 0.43 -0.24 -0.53 2.41 0.00 0.00 0.00 176.54 178.61 1wvb n THR 246 N -5.45 1.86 -2.51 4.70 -1.04 -1.26 -5.10 114.28 105.49 1wvb n THR 246 Ca -0.06 -4.94 -0.36 0.00 -2.04 0.00 0.00 64.05 56.65 1wvb n THR 246 Cb 0.37 -2.19 -0.04 0.00 -1.82 0.00 0.00 70.33 66.65 1wvb n THR 246 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1wvb s PRO 247 N -1.60 4.09 -0.09 -2.82 0.04 -1.26 -4.91 135.00 128.46 1wvb s PRO 247 Ca 0.27 1.54 -0.04 0.00 0.04 0.00 0.00 61.00 62.80 1wvb s PRO 247 Cb -0.02 -2.50 0.04 0.00 0.04 0.00 0.00 34.50 32.06 1wvb s PRO 247 CO -0.15 -0.21 0.20 0.08 0.04 0.00 0.00 177.00 176.96 1wvb s VAL 248 N -1.67 -0.04 0.79 -0.36 1.01 -1.26 -5.07 120.40 113.81 1wvb s VAL 248 Ca 0.59 0.16 -0.14 0.00 0.00 0.00 0.00 61.98 62.59 1wvb s VAL 248 Cb -0.22 -0.32 0.06 0.00 0.00 0.00 0.00 36.38 35.90 1wvb s VAL 248 CO 0.28 0.06 1.06 1.33 0.00 0.00 0.00 175.10 177.83 1wvb n VAL 249 N 4.16 2.07 -2.46 2.92 0.24 -1.26 -4.13 118.33 119.87 1wvb n VAL 249 Ca -0.25 -0.25 -0.07 0.00 -2.04 0.00 0.00 64.34 61.72 1wvb n VAL 249 Cb 0.53 -1.11 0.04 0.00 -1.47 0.00 0.00 33.84 31.82 1wvb n VAL 249 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wvb n GLY 250 N 0.80 0.06 1.29 7.63 0.00 -1.26 -5.05 105.19 108.67 1wvb n GLY 250 Ca 0.13 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 1wvb n GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wvb n GLY 251 N -1.19 2.83 3.76 -0.02 0.00 -1.26 -4.94 105.19 104.36 1wvb n GLY 251 Ca -0.09 -2.21 -0.37 0.00 0.00 0.00 0.00 46.02 43.36 1wvb n GLY 251 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wvb s LEU 252 N 0.00 3.82 0.50 0.99 1.43 -1.10 -4.37 118.68 119.94 1wvb s LEU 252 Ca 0.12 2.52 -0.12 0.00 -1.03 0.00 0.00 54.13 55.62 1wvb s LEU 252 Cb -0.01 -4.39 -0.06 0.00 0.03 0.00 0.00 46.19 41.76 1wvb s LEU 252 CO 0.07 -1.43 0.90 -0.89 0.23 0.00 0.00 176.35 175.24 1wvb s THR 253 N -1.46 4.71 0.15 5.49 2.01 -1.26 -0.38 115.64 124.89 1wvb s THR 253 Ca 0.72 0.80 -0.21 0.00 0.31 0.00 0.00 61.69 63.31 1wvb s THR 253 Cb -0.34 -3.78 0.03 0.00 0.01 0.00 0.00 72.50 68.41 1wvb s THR 253 CO 0.39 -0.77 1.65 0.22 -0.69 0.00 0.00 174.62 175.42 1wvb h TYR 254 N 0.62 -0.44 -0.18 4.92 3.20 -1.95 0.90 116.97 124.03 1wvb h TYR 254 Ca -0.46 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.48 1wvb h TYR 254 Cb 1.19 0.23 -0.04 0.00 1.54 0.00 0.00 36.73 39.65 1wvb h TYR 254 CO 0.63 -0.25 -0.07 0.00 -1.64 0.00 0.00 178.16 176.83 1wvb h ARG 255 N -0.17 -0.03 -0.58 1.82 3.08 -1.99 0.63 114.38 117.15 1wvb h ARG 255 Ca 0.13 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 1wvb h ARG 255 Cb 0.37 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1wvb h ARG 255 CO -0.34 -0.02 0.34 1.96 -1.07 0.00 0.00 179.97 180.84 1wvb h GLN 256 N -0.04 0.78 -0.81 0.04 4.20 -1.73 0.85 115.11 118.41 1wvb h GLN 256 Ca 0.09 -0.07 0.05 0.00 0.06 0.00 0.00 58.65 58.78 1wvb h GLN 256 Cb 0.18 -0.17 -0.05 0.00 0.30 0.00 0.00 27.48 27.74 1wvb h GLN 256 CO -0.20 0.56 0.50 0.78 -0.67 0.00 0.00 178.83 179.79 1wvb h GLY 257 N 0.84 1.19 1.57 3.46 0.00 0.25 -1.21 103.07 109.16 1wvb h GLY 257 Ca 0.21 -0.37 -0.26 0.00 0.00 0.00 0.00 47.33 46.90 1wvb h GLY 257 CO -0.04 0.28 -1.16 1.41 0.00 0.00 0.00 176.54 177.03 1wvb h LEU 258 N 0.95 0.50 -0.16 3.11 3.38 0.67 -3.25 115.31 120.51 1wvb h LEU 258 Ca 0.34 -0.49 0.02 0.00 0.09 0.00 0.00 57.88 57.84 1wvb h LEU 258 Cb 0.10 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1wvb h LEU 258 CO -0.14 1.34 0.02 0.22 0.09 0.00 0.00 178.44 179.97 1wvb h TYR 259 N 0.14 0.03 -0.49 1.13 3.20 0.12 -0.06 116.97 121.03 1wvb h TYR 259 Ca -0.13 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.80 1wvb h TYR 259 Cb 1.85 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 40.09 1wvb h TYR 259 CO 0.07 0.01 0.24 0.82 -1.64 0.00 0.00 178.16 177.65 1wvb h ILE 260 N 0.08 0.94 0.00 1.81 2.04 -1.34 -2.39 117.51 118.64 1wvb h ILE 260 Ca 0.07 -0.16 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 1wvb h ILE 260 Cb 0.07 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1wvb h ILE 260 CO -0.10 0.09 -0.29 0.71 0.00 0.00 0.00 178.15 178.55 1wvb h THR 261 N 0.47 0.58 0.00 -0.27 1.35 -1.53 -1.82 112.91 111.68 1wvb h THR 261 Ca 0.22 -1.49 -0.14 0.00 -0.55 0.00 0.00 66.41 64.45 1wvb h THR 261 Cb 0.14 2.03 -0.02 0.00 -1.73 0.00 0.00 68.15 68.58 1wvb h THR 261 CO -0.16 0.28 -0.66 -0.33 -0.25 0.00 0.00 175.52 174.40 1wvb h GLU 262 N 0.00 0.00 0.15 4.72 5.08 -0.82 -2.46 114.58 121.25 1wvb h GLU 262 Ca -0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 1wvb h GLU 262 Cb 1.01 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.28 1wvb h GLU 262 CO 0.04 0.66 -1.28 0.93 -1.00 0.00 0.00 179.01 178.36 1wvb h GLU 263 N 0.00 0.40 -0.52 2.33 4.39 -1.24 -2.61 114.58 117.32 1wvb h GLU 263 Ca -0.01 -0.63 -0.03 0.00 0.34 0.00 0.00 59.36 59.03 1wvb h GLU 263 Cb 1.31 0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 30.16 1wvb h GLU 263 CO 0.09 1.29 0.19 0.82 -1.16 0.00 0.00 179.01 180.23 1wvb h ILE 264 N 0.13 1.22 -0.53 3.13 1.08 -1.26 -2.23 117.51 119.06 1wvb h ILE 264 Ca -0.17 -0.71 -0.07 0.00 -0.39 0.00 0.00 64.86 63.51 1wvb h ILE 264 Cb 1.98 0.71 -0.02 0.00 -3.07 0.00 0.00 36.82 36.42 1wvb h ILE 264 CO 0.22 0.27 0.03 0.22 -0.69 0.00 0.00 178.15 178.20 1wvb h TYR 265 N 0.71 0.93 0.00 1.37 3.20 -1.50 -2.76 116.97 118.91 1wvb h TYR 265 Ca 0.17 -0.13 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 1wvb h TYR 265 Cb 0.23 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.24 1wvb h TYR 265 CO 0.01 0.83 -0.12 0.87 -1.64 0.00 0.00 178.16 178.11 1wvb h LYS 266 N 0.81 0.00 -0.17 1.82 1.57 -1.03 -1.95 116.57 117.62 1wvb h LYS 266 Ca 0.16 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.83 1wvb h LYS 266 Cb 0.45 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1wvb h LYS 266 CO 0.02 0.12 -0.36 1.79 -0.57 0.00 0.00 179.45 180.45 1wvb h THR 267 N 0.00 1.29 0.00 -0.16 1.35 -1.11 -3.47 112.91 110.81 1wvb h THR 267 Ca -0.00 -1.43 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 1wvb h THR 267 Cb 0.40 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 1wvb h THR 267 CO 0.02 0.44 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 1wvb n GLY 268 N -0.23 0.52 0.53 5.82 0.00 -0.74 -4.92 105.19 106.17 1wvb n GLY 268 Ca -0.01 -0.17 0.05 0.00 0.00 0.00 0.00 46.02 45.89 1wvb n GLY 268 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wvb n LEU 269 N 0.00 2.62 -4.74 0.99 4.77 -1.26 -5.01 117.00 114.37 1wvb n LEU 269 Ca 0.00 -1.80 -0.42 0.00 -0.03 0.00 0.00 56.01 53.76 1wvb n LEU 269 Cb 0.00 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 40.91 1wvb n LEU 269 CO 0.00 0.63 1.25 -0.11 -1.33 0.00 0.00 177.39 177.83 1wvb n LEU 270 N 0.43 4.22 0.00 2.23 7.94 -1.26 -0.66 117.00 129.90 1wvb n LEU 270 Ca 0.09 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.13 1wvb n LEU 270 Cb 0.37 -1.58 0.00 0.00 0.53 0.00 0.00 43.42 42.74 1wvb n LEU 270 CO 0.07 0.12 -0.30 -0.24 -1.11 0.00 0.00 177.39 175.92 1wvb n SER 271 N 2.45 0.35 -4.33 1.96 2.88 0.76 -4.77 113.62 112.93 1wvb n SER 271 Ca 0.10 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.33 1wvb n SER 271 Cb 0.36 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.67 1wvb n SER 271 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wvb s GLY 272 N -4.80 1.32 -0.01 0.46 0.00 0.04 -1.87 107.32 102.47 1wvb s GLY 272 Ca 0.00 -1.16 0.01 0.00 0.00 0.00 0.00 44.72 43.57 1wvb s GLY 272 CO 0.00 -0.99 -0.03 -2.27 0.00 0.00 0.00 173.10 169.82 1wvb s LEU 273 N -0.80 1.68 -0.08 0.66 0.20 -0.18 -0.79 118.68 119.38 1wvb s LEU 273 Ca 0.11 -0.06 0.02 0.00 0.69 0.00 0.00 54.13 54.88 1wvb s LEU 273 Cb -0.10 -0.23 0.02 0.00 -0.43 0.00 0.00 46.19 45.45 1wvb s LEU 273 CO -0.00 -0.01 -0.11 -1.81 -0.29 0.00 0.00 176.35 174.13 1wvb s ASP 274 N 0.35 1.83 -0.40 3.68 1.01 -0.29 -1.16 116.67 121.69 1wvb s ASP 274 Ca -0.03 -0.29 0.04 0.00 0.71 0.00 0.00 52.55 52.97 1wvb s ASP 274 Cb -0.07 -0.81 0.11 0.00 1.01 0.00 0.00 42.92 43.16 1wvb s ASP 274 CO -0.01 -0.00 0.12 -0.63 0.21 0.00 0.00 175.17 174.86 1wvb s ILE 275 N 0.90 2.35 0.42 0.77 1.09 -0.75 -0.79 121.20 125.19 1wvb s ILE 275 Ca -0.10 -2.64 0.07 0.00 -1.10 0.00 0.00 60.65 56.87 1wvb s ILE 275 Cb -0.15 -2.70 -0.05 0.00 -1.06 0.00 0.00 42.46 38.50 1wvb s ILE 275 CO 0.01 -0.67 0.16 -0.04 -0.10 0.00 0.00 174.94 174.30 1wvb s MET 276 N 0.53 2.19 -1.31 2.79 -1.94 -0.16 -2.64 119.30 118.76 1wvb s MET 276 Ca 0.13 -1.90 -0.07 0.00 -1.71 0.00 0.00 55.69 52.14 1wvb s MET 276 Cb -0.21 -1.93 0.01 0.00 2.01 0.00 0.00 34.83 34.71 1wvb s MET 276 CO -0.06 -0.13 1.13 0.39 -0.01 0.00 0.00 175.02 176.34 1wvb n GLU 277 N -1.22 -7.59 -3.68 2.03 -0.58 0.50 -1.46 120.64 108.64 1wvb n GLU 277 Ca -0.02 0.83 -0.39 0.00 -0.42 0.00 0.00 57.16 57.16 1wvb n GLU 277 Cb 0.65 -5.86 -0.11 0.00 -0.57 0.00 0.00 31.44 25.54 1wvb n GLU 277 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1wvb s VAL 278 N -3.33 4.04 -0.66 2.62 1.01 -1.26 -4.09 120.40 118.73 1wvb s VAL 278 Ca 0.43 -1.19 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 1wvb s VAL 278 Cb -0.19 -3.35 0.17 0.00 0.00 0.00 0.00 36.38 33.01 1wvb s VAL 278 CO 0.73 -0.30 0.50 0.21 0.00 0.00 0.00 175.10 176.23 1wvb s ASN 279 N 1.64 5.49 0.64 3.32 3.84 0.18 -4.45 114.94 125.61 1wvb s ASN 279 Ca 0.01 -2.83 0.35 0.00 0.21 0.00 0.00 52.86 50.60 1wvb s ASN 279 Cb -0.21 -1.91 1.91 0.00 -0.55 0.00 0.00 41.25 40.49 1wvb s ASN 279 CO 0.03 -0.40 2.07 1.55 -2.79 0.00 0.00 177.10 177.56 1wvb h PRO 280 N 7.15 0.00 -0.01 0.43 0.13 -1.73 -0.91 132.00 137.06 1wvb h PRO 280 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wvb h PRO 280 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1wvb h PRO 280 CO 0.72 0.00 -0.19 -1.13 -0.23 0.00 0.00 178.00 177.17 1wvb n SER 281 N -2.91 0.99 -0.76 1.44 3.41 -1.26 -3.41 113.62 111.12 1wvb n SER 281 Ca -0.02 -0.94 0.13 0.00 -0.26 0.00 0.00 58.87 57.78 1wvb n SER 281 Cb 0.24 0.07 0.24 0.00 -0.26 0.00 0.00 64.21 64.51 1wvb n SER 281 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1wvb n LEU 282 N -0.57 2.42 -4.66 1.04 4.77 -0.34 -4.88 117.00 114.78 1wvb n LEU 282 Ca 0.14 -0.81 -0.43 0.00 -0.03 0.00 0.00 56.01 54.88 1wvb n LEU 282 Cb 0.33 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 1wvb n LEU 282 CO 0.24 0.41 0.97 -0.83 -1.33 0.00 0.00 177.39 176.84 1wvb s GLY 283 N -2.04 1.66 0.17 -0.72 0.00 -1.22 -4.68 107.32 100.49 1wvb s GLY 283 Ca 0.31 0.22 -0.16 0.00 0.00 0.00 0.00 44.72 45.08 1wvb s GLY 283 CO 0.33 2.29 1.69 0.50 0.00 0.00 0.00 173.10 177.90 1wvb h LYS 284 N 7.76 0.06 -5.96 2.90 1.57 -1.92 -3.44 116.57 117.54 1wvb h LYS 284 Ca -0.21 -0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 57.96 1wvb h LYS 284 Cb 1.07 -0.01 -0.12 0.00 0.08 0.00 0.00 32.23 33.25 1wvb h LYS 284 CO 0.99 0.04 -0.65 0.95 -0.57 0.00 0.00 179.45 180.21 1wvb s THR 285 N -6.19 2.40 0.05 -0.16 -4.23 -1.26 -5.02 115.64 101.23 1wvb s THR 285 Ca -0.14 -2.09 0.30 0.00 -1.18 0.00 0.00 61.69 58.58 1wvb s THR 285 Cb 0.14 -2.73 0.31 0.00 1.34 0.00 0.00 72.50 71.56 1wvb s THR 285 CO 0.71 -0.19 1.91 -0.65 -0.54 0.00 0.00 174.62 175.86 1wvb h PRO 286 N 1.91 0.00 0.00 3.99 0.11 -1.99 -2.15 132.00 133.87 1wvb h PRO 286 Ca -0.42 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.43 1wvb h PRO 286 Cb 1.25 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 1wvb h PRO 286 CO 0.69 0.00 -1.43 1.05 -0.21 0.00 0.00 178.00 178.10 1wvb h GLU 287 N 0.00 0.00 -0.77 1.05 -0.00 -1.95 -3.00 114.58 109.91 1wvb h GLU 287 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.33 1wvb h GLU 287 Cb 0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 28.80 1wvb h GLU 287 CO 0.00 0.63 0.35 0.93 -0.00 0.00 0.00 179.01 180.93 1wvb h GLU 288 N 0.00 1.12 -0.07 1.06 5.08 -1.75 0.67 114.58 120.69 1wvb h GLU 288 Ca -0.18 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 1wvb h GLU 288 Cb 1.89 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.94 1wvb h GLU 288 CO 0.09 0.88 0.02 0.28 -1.00 0.00 0.00 179.01 179.28 1wvb h VAL 289 N 1.09 1.16 -0.42 3.13 2.07 -1.64 -1.33 116.25 120.32 1wvb h VAL 289 Ca 0.26 -0.49 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 1wvb h VAL 289 Cb 0.14 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1wvb h VAL 289 CO -0.03 0.14 -0.06 0.00 0.02 0.00 0.00 177.57 177.64 1wvb h THR 290 N -0.07 1.24 -0.43 2.57 1.03 -1.32 -1.53 112.91 114.39 1wvb h THR 290 Ca 0.02 -1.04 -0.04 0.00 -0.01 0.00 0.00 66.41 65.34 1wvb h THR 290 Cb 0.20 0.99 -0.02 0.00 -1.07 0.00 0.00 68.15 68.25 1wvb h THR 290 CO -0.00 0.36 0.13 -0.09 -0.01 0.00 0.00 175.52 175.90 1wvb h ARG 291 N 0.66 0.68 0.76 0.00 2.43 0.49 -1.22 114.38 118.18 1wvb h ARG 291 Ca 0.12 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 1wvb h ARG 291 Cb 0.49 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1wvb h ARG 291 CO 0.03 0.67 -0.37 1.15 -1.51 0.00 0.00 179.97 179.94 1wvb h THR 292 N 0.56 0.13 -0.39 0.20 2.02 -1.00 -2.03 112.91 112.40 1wvb h THR 292 Ca 0.14 -0.18 0.08 0.00 0.77 0.00 0.00 66.41 67.22 1wvb h THR 292 Cb 0.28 0.16 -0.09 0.00 -1.74 0.00 0.00 68.15 66.76 1wvb h THR 292 CO -0.00 0.01 -0.25 0.58 0.37 0.00 0.00 175.52 176.23 1wvb h VAL 293 N -1.18 0.34 -0.69 3.16 2.07 -1.30 0.76 116.25 119.42 1wvb h VAL 293 Ca -0.10 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.55 1wvb h VAL 293 Cb 0.80 0.34 -0.10 0.00 -1.52 0.00 0.00 31.29 30.82 1wvb h VAL 293 CO 0.17 0.00 0.18 0.78 0.02 0.00 0.00 177.57 178.73 1wvb h ASN 294 N -0.18 0.07 -0.41 0.57 2.35 -1.19 0.20 115.58 116.99 1wvb h ASN 294 Ca 0.19 0.12 -0.07 0.00 -0.55 0.00 0.00 56.30 55.99 1wvb h ASN 294 Cb 0.48 0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.98 1wvb h ASN 294 CO -0.50 0.01 0.01 0.74 -1.65 0.00 0.00 177.43 176.05 1wvb h THR 295 N 0.30 1.24 -0.12 2.81 2.02 -0.48 -1.93 112.91 116.75 1wvb h THR 295 Ca 0.37 -0.98 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 1wvb h THR 295 Cb 0.59 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1wvb h THR 295 CO -0.44 0.35 0.04 0.00 0.37 0.00 0.00 175.52 175.83 1wvb h ALA 296 N 1.27 0.16 -0.10 6.16 0.00 0.16 -2.62 119.26 124.29 1wvb h ALA 296 Ca 0.15 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1wvb h ALA 296 Cb 0.43 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1wvb h ALA 296 CO 0.02 -0.22 -0.27 0.28 0.00 0.00 0.00 179.25 179.05 1wvb h VAL 297 N 0.01 1.24 -0.02 0.00 2.07 -0.63 -2.84 116.25 116.08 1wvb h VAL 297 Ca 0.04 -1.11 -0.10 0.00 0.82 0.00 0.00 66.70 66.35 1wvb h VAL 297 Cb 0.22 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1wvb h VAL 297 CO -0.00 0.33 -0.44 0.00 0.02 0.00 0.00 177.57 177.48 1wvb h ALA 298 N 1.56 1.23 -0.05 1.67 0.00 -1.20 -1.83 119.26 120.64 1wvb h ALA 298 Ca 0.03 -0.41 -0.19 0.00 0.00 0.00 0.00 54.91 54.33 1wvb h ALA 298 Cb 0.57 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1wvb h ALA 298 CO 0.04 0.57 -0.78 0.82 0.00 0.00 0.00 179.25 179.90 1wvb h ILE 299 N 0.04 1.39 -0.22 0.00 2.04 -1.23 -2.15 117.51 117.38 1wvb h ILE 299 Ca -0.00 -2.24 -0.18 0.00 1.00 0.00 0.00 64.86 63.44 1wvb h ILE 299 Cb 0.80 2.20 -0.00 0.00 -0.74 0.00 0.00 36.82 39.08 1wvb h ILE 299 CO 0.06 0.67 -0.60 0.74 0.00 0.00 0.00 178.15 179.02 1wvb h THR 300 N 0.25 1.30 -0.51 -0.27 2.02 -1.37 -2.56 112.91 111.76 1wvb h THR 300 Ca -0.04 -1.83 -0.09 0.00 0.77 0.00 0.00 66.41 65.22 1wvb h THR 300 Cb 1.37 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 69.53 1wvb h THR 300 CO 0.13 0.58 -0.04 -0.07 0.37 0.00 0.00 175.52 176.49 1wvb h LEU 301 N 0.54 0.88 -0.65 2.58 3.38 -1.31 -2.69 115.31 118.03 1wvb h LEU 301 Ca -0.00 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.75 1wvb h LEU 301 Cb 1.19 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 1wvb h LEU 301 CO 0.12 0.96 0.41 0.00 0.09 0.00 0.00 178.44 180.02 1wvb h ALA 302 N 1.13 0.84 -0.27 1.53 0.00 -1.26 -2.12 119.26 119.11 1wvb h ALA 302 Ca 0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1wvb h ALA 302 Cb 0.54 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1wvb h ALA 302 CO 0.03 0.18 0.01 0.00 0.00 0.00 0.00 179.25 179.47 1wvb n PHE 304 N -4.34 2.55 0.00 0.00 3.72 -0.86 -4.25 117.46 114.30 1wvb n PHE 304 Ca 0.01 -1.24 0.00 0.00 -0.05 0.00 0.00 57.45 56.16 1wvb n PHE 304 Cb 0.20 -0.72 0.00 0.00 -0.94 0.00 0.00 39.48 38.03 1wvb n PHE 304 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wvb n GLY 305 N -0.19 3.52 3.39 1.37 0.00 -1.04 -4.81 105.19 107.43 1wvb n GLY 305 Ca 0.43 -0.98 -0.54 0.00 0.00 0.00 0.00 46.02 44.93 1wvb n GLY 305 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wvb n LEU 306 N 0.00 1.74 -4.69 0.99 4.77 -0.86 -4.94 117.00 114.02 1wvb n LEU 306 Ca 0.00 0.51 -0.34 0.00 -0.03 0.00 0.00 56.01 56.15 1wvb n LEU 306 Cb 0.00 -1.16 -0.09 0.00 -2.33 0.00 0.00 43.42 39.84 1wvb n LEU 306 CO 0.00 -0.73 -0.31 0.00 -1.33 0.00 0.00 177.39 175.01 1wvb s ALA 307 N 6.84 3.31 0.46 -1.18 0.00 -1.26 -4.28 121.76 125.64 1wvb s ALA 307 Ca 1.12 -0.89 0.16 0.00 0.00 0.00 0.00 51.96 52.36 1wvb s ALA 307 Cb -1.05 -1.41 1.10 0.00 0.00 0.00 0.00 23.12 21.76 1wvb s ALA 307 CO 0.54 0.63 2.02 0.00 0.00 0.00 0.00 175.76 178.95 1wvb h ARG 308 N 4.66 0.00 0.00 0.00 3.08 -1.98 -0.99 114.38 119.14 1wvb h ARG 308 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1wvb h ARG 308 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1wvb h ARG 308 CO 0.56 0.15 0.00 -0.85 -1.07 0.00 0.00 179.97 178.77 1wvb n GLU 309 N -4.26 0.20 0.00 0.04 0.28 -1.26 -4.98 120.64 110.66 1wvb n GLU 309 Ca -0.02 0.39 0.00 0.00 -0.16 0.00 0.00 57.16 57.36 1wvb n GLU 309 Cb 0.22 -1.85 0.00 0.00 1.43 0.00 0.00 31.44 31.24 1wvb n GLU 309 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1wvb n GLY 310 N 0.18 2.25 3.23 -1.84 0.00 -0.38 -5.12 105.19 103.51 1wvb n GLY 310 Ca 0.03 -2.14 -0.11 0.00 0.00 0.00 0.00 46.02 43.79 1wvb n GLY 310 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wvb s ASN 311 N 0.00 -0.08 -0.16 1.61 0.01 -1.26 -4.44 114.94 110.61 1wvb s ASN 311 Ca 0.00 -0.22 -0.16 0.00 -0.71 0.00 0.00 52.86 51.77 1wvb s ASN 311 Cb 0.00 0.33 0.04 0.00 0.41 0.00 0.00 41.25 42.04 1wvb s ASN 311 CO 0.00 -0.59 0.45 -1.38 -1.51 0.00 0.00 177.10 174.07 1wvb s HIS 312 N -2.47 -0.48 -2.00 2.20 -3.43 -1.26 -5.13 115.29 102.71 1wvb s HIS 312 Ca -0.06 1.16 0.19 0.00 -0.80 0.00 0.00 55.06 55.56 1wvb s HIS 312 Cb -0.01 0.17 1.16 0.00 -1.43 0.00 0.00 32.58 32.47 1wvb s HIS 312 CO -0.03 -0.25 1.55 1.63 -2.00 0.00 0.00 174.74 175.64