#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wbe s LYS 2 N 0.00 2.30 0.46 3.69 -2.85 -1.26 -5.08 119.74 117.01 2wbe s LYS 2 Ca 0.00 -1.74 -0.21 0.00 -1.00 0.00 0.00 55.97 53.01 2wbe s LYS 2 Cb 0.00 -2.09 -0.09 0.00 -2.06 0.00 0.00 37.83 33.60 2wbe s LYS 2 CO 0.00 -0.10 1.03 0.15 0.10 0.00 0.00 175.35 176.53 2wbe s LYS 3 N -3.94 3.91 0.21 1.78 3.01 -1.26 -4.94 119.74 118.50 2wbe s LYS 3 Ca 0.42 1.37 0.04 0.00 -1.01 0.00 0.00 55.97 56.79 2wbe s LYS 3 Cb 0.02 -2.19 -0.05 0.00 -1.01 0.00 0.00 37.83 34.59 2wbe s LYS 3 CO 0.24 -0.34 -0.03 -1.12 0.51 0.00 0.00 175.35 174.61 2wbe s SER 4 N -1.91 1.77 -0.10 2.83 0.01 -0.86 -5.00 113.70 110.43 2wbe s SER 4 Ca 0.65 -1.16 -0.02 0.00 1.31 0.00 0.00 55.95 56.73 2wbe s SER 4 Cb -0.17 0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.05 2wbe s SER 4 CO 0.21 -0.47 -0.03 0.20 0.41 0.00 0.00 173.24 173.56 2wbe s ASN 5 N -3.26 4.94 0.02 2.44 0.02 -1.26 -1.21 114.94 116.63 2wbe s ASN 5 Ca 0.25 0.01 -0.03 0.00 -1.02 0.00 0.00 52.86 52.07 2wbe s ASN 5 Cb 0.05 -1.49 -0.01 0.00 0.02 0.00 0.00 41.25 39.82 2wbe s ASN 5 CO 0.06 0.31 0.05 -1.10 0.02 0.00 0.00 177.10 176.44 2wbe s GLN 6 N -0.46 0.45 0.39 -0.60 -1.52 0.21 -4.94 119.66 113.18 2wbe s GLN 6 Ca 0.08 -0.62 -0.05 0.00 -1.95 0.00 0.00 55.36 52.81 2wbe s GLN 6 Cb -0.12 0.17 -0.05 0.00 -0.22 0.00 0.00 33.01 32.79 2wbe s GLN 6 CO 0.02 -0.10 0.68 -0.80 -0.25 0.00 0.00 175.29 174.84 2wbe s ASN 7 N -1.69 6.38 0.06 5.90 -0.87 -1.26 0.80 114.94 124.26 2wbe s ASN 7 Ca -0.12 0.83 -0.31 0.00 -1.57 0.00 0.00 52.86 51.70 2wbe s ASN 7 Cb -0.06 -2.20 -0.06 0.00 -0.02 0.00 0.00 41.25 38.91 2wbe s ASN 7 CO -0.02 -0.38 1.23 -0.63 -2.57 0.00 0.00 177.10 174.73 2wbe s ILE 8 N -2.39 3.96 0.20 0.60 1.01 -0.65 -4.79 121.20 119.14 2wbe s ILE 8 Ca 0.46 1.40 -0.24 0.00 0.00 0.00 0.00 60.65 62.27 2wbe s ILE 8 Cb -0.10 -3.90 -0.08 0.00 0.01 0.00 0.00 42.46 38.39 2wbe s ILE 8 CO 0.36 0.10 0.78 -1.10 0.00 0.00 0.00 174.94 175.07 2wbe s GLN 9 N 1.20 4.47 -0.03 2.79 -0.21 -0.68 -4.45 119.66 122.75 2wbe s GLN 9 Ca 0.59 1.09 0.03 0.00 0.02 0.00 0.00 55.36 57.09 2wbe s GLN 9 Cb -0.30 -3.09 0.00 0.00 1.00 0.00 0.00 33.01 30.62 2wbe s GLN 9 CO 0.29 0.49 -0.10 0.08 -2.12 0.00 0.00 175.29 173.92 2wbe s VAL 10 N -1.31 0.91 0.08 1.09 1.01 -1.26 -0.49 120.40 120.42 2wbe s VAL 10 Ca 0.39 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 62.01 2wbe s VAL 10 Cb -0.21 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 2wbe s VAL 10 CO 0.24 0.28 -0.15 -0.31 0.00 0.00 0.00 175.10 175.17 2wbe s TYR 11 N 0.22 1.28 -0.05 5.22 2.02 -0.37 -1.27 117.35 124.39 2wbe s TYR 11 Ca -0.04 -0.47 0.06 0.00 -0.37 0.00 0.00 57.07 56.25 2wbe s TYR 11 Cb -0.10 -0.71 -0.01 0.00 -0.40 0.00 0.00 41.96 40.74 2wbe s TYR 11 CO 0.01 0.08 -0.24 0.08 -1.57 0.00 0.00 175.55 173.91 2wbe s VAL 12 N -1.40 2.17 -0.10 0.71 1.01 -0.83 -0.60 120.40 121.36 2wbe s VAL 12 Ca 0.00 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 60.98 2wbe s VAL 12 Cb -0.09 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.51 2wbe s VAL 12 CO 0.02 0.57 -0.18 -0.60 0.00 0.00 0.00 175.10 174.91 2wbe s ARG 13 N -0.26 2.49 -0.16 2.72 3.52 -0.07 -0.09 118.95 127.09 2wbe s ARG 13 Ca -0.00 -0.68 -0.07 0.00 -0.13 0.00 0.00 55.73 54.85 2wbe s ARG 13 Cb -0.13 -1.99 -0.04 0.00 -1.56 0.00 0.00 34.95 31.23 2wbe s ARG 13 CO 0.03 0.05 0.06 0.08 -0.81 0.00 0.00 175.30 174.70 2wbe s VAL 14 N 0.67 4.76 0.47 7.11 1.01 -0.38 -1.40 120.40 132.64 2wbe s VAL 14 Ca -0.13 -0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.75 2wbe s VAL 14 Cb -0.16 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 2wbe s VAL 14 CO 0.03 0.49 0.77 0.00 0.00 0.00 0.00 175.10 176.40 2wbe s ARG 15 N 0.10 3.51 0.73 2.72 1.70 -0.89 -2.78 118.95 124.05 2wbe s ARG 15 Ca 0.05 0.15 -0.11 0.00 -0.47 0.00 0.00 55.73 55.35 2wbe s ARG 15 Cb -0.12 -2.40 0.03 0.00 -0.57 0.00 0.00 34.95 31.89 2wbe s ARG 15 CO 0.01 -0.19 1.07 -1.25 -1.08 0.00 0.00 175.30 173.86 2wbe s PRO 16 N -4.72 2.63 0.27 3.89 0.04 -1.26 -4.25 135.00 131.61 2wbe s PRO 16 Ca 0.47 0.96 -0.29 0.00 0.04 0.00 0.00 61.00 62.17 2wbe s PRO 16 Cb -0.10 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 2wbe s PRO 16 CO 0.44 -1.32 1.28 -0.51 0.04 0.00 0.00 177.00 176.94 2wbe s LEU 17 N -5.68 4.44 0.69 -3.56 1.43 -1.26 -4.90 118.68 109.85 2wbe s LEU 17 Ca 0.59 2.52 -0.05 0.00 -1.03 0.00 0.00 54.13 56.16 2wbe s LEU 17 Cb -0.15 -3.63 0.08 0.00 0.03 0.00 0.00 46.19 42.52 2wbe s LEU 17 CO 0.55 -0.48 0.98 0.20 0.23 0.00 0.00 176.35 177.83 2wbe s ASN 18 N -0.18 4.72 0.00 2.29 0.01 -1.26 -4.89 114.94 115.62 2wbe s ASN 18 Ca 0.52 0.21 0.18 0.00 -0.71 0.00 0.00 52.86 53.06 2wbe s ASN 18 Cb -0.37 -0.83 0.93 0.00 0.41 0.00 0.00 41.25 41.39 2wbe s ASN 18 CO 0.45 -1.62 1.55 -1.20 -1.51 0.00 0.00 177.10 174.77 2wbe n SER 19 N -2.84 0.00 0.29 -1.22 7.64 -1.26 -1.52 113.62 114.71 2wbe n SER 19 Ca 0.10 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.79 2wbe n SER 19 Cb 0.60 -0.27 -0.10 0.00 -1.01 0.00 0.00 64.21 63.43 2wbe n SER 19 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 2wbe h ARG 20 N 0.00 -0.96 0.00 1.43 -0.00 -2.01 -1.61 114.38 111.23 2wbe h ARG 20 Ca 0.00 0.07 -0.12 0.00 -0.00 0.00 0.00 59.98 59.92 2wbe h ARG 20 Cb 0.16 0.22 -0.02 0.00 -0.00 0.00 0.00 29.97 30.33 2wbe h ARG 20 CO 0.00 -0.64 -0.58 0.93 -0.00 0.00 0.00 179.97 179.68 2wbe h GLU 21 N -0.99 0.00 -0.10 0.08 5.08 -1.88 -3.19 114.58 113.58 2wbe h GLU 21 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2wbe h GLU 21 Cb 0.87 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 2wbe h GLU 21 CO -0.07 0.58 0.07 0.00 -1.00 0.00 0.00 179.01 178.59 2wbe h ARG 22 N 0.00 0.13 -0.69 2.33 3.08 -0.95 0.35 114.38 118.64 2wbe h ARG 22 Ca -0.01 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 2wbe h ARG 22 Cb 1.40 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.40 2wbe h ARG 22 CO 0.08 0.09 0.20 0.00 -1.07 0.00 0.00 179.97 179.27 2wbe h ILE 24 N 1.02 0.03 -1.29 0.00 3.07 -1.47 -3.45 117.51 115.42 2wbe h ILE 24 Ca 0.22 -0.22 -0.09 0.00 1.55 0.00 0.00 64.86 66.32 2wbe h ILE 24 Cb 0.32 1.21 0.01 0.00 -0.27 0.00 0.00 36.82 38.10 2wbe h ILE 24 CO -0.00 0.01 -0.13 -1.14 -1.05 0.00 0.00 178.15 175.83 2wbe n ARG 25 N -3.12 -0.98 -1.25 0.16 3.00 0.14 -5.00 116.66 109.61 2wbe n ARG 25 Ca -0.02 0.20 -0.31 0.00 -0.00 0.00 0.00 57.85 57.72 2wbe n ARG 25 Cb 0.17 -3.62 0.10 0.00 0.00 0.00 0.00 32.46 29.10 2wbe n ARG 25 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2wbe s SER 26 N -2.92 4.36 0.11 6.15 0.01 0.26 -5.01 113.70 116.65 2wbe s SER 26 Ca 0.06 1.91 0.06 0.00 1.31 0.00 0.00 55.95 59.28 2wbe s SER 26 Cb -0.03 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 2wbe s SER 26 CO 0.07 -2.14 -0.02 0.00 0.41 0.00 0.00 173.24 171.56 2wbe s ALA 27 N -2.78 3.20 -0.56 1.44 0.00 -1.26 -4.82 121.76 116.98 2wbe s ALA 27 Ca 0.63 -1.20 -0.27 0.00 0.00 0.00 0.00 51.96 51.12 2wbe s ALA 27 Cb -0.19 -1.09 0.03 0.00 0.00 0.00 0.00 23.12 21.88 2wbe s ALA 27 CO 0.54 0.64 1.13 -2.00 0.00 0.00 0.00 175.76 176.07 2wbe s GLU 28 N -2.43 3.51 0.26 0.00 2.56 -1.26 -2.82 118.70 118.52 2wbe s GLU 28 Ca 0.25 0.20 0.12 0.00 0.00 0.00 0.00 54.97 55.54 2wbe s GLU 28 Cb -0.11 -4.00 0.24 0.00 2.00 0.00 0.00 34.13 32.26 2wbe s GLU 28 CO 0.17 -1.59 1.53 0.28 -0.56 0.00 0.00 175.26 175.09 2wbe h VAL 29 N 6.14 1.29 -3.33 3.70 2.07 -1.41 -3.39 116.25 121.32 2wbe h VAL 29 Ca -0.25 -2.33 -0.52 0.00 0.82 0.00 0.00 66.70 64.42 2wbe h VAL 29 Cb 1.06 2.32 0.03 0.00 -1.52 0.00 0.00 31.29 33.18 2wbe h VAL 29 CO 1.16 0.63 0.65 -0.69 0.02 0.00 0.00 177.57 179.33 2wbe s VAL 30 N -3.27 3.30 -0.03 2.57 1.01 -1.26 -4.53 120.40 118.19 2wbe s VAL 30 Ca 0.00 1.04 0.01 0.00 0.00 0.00 0.00 61.98 63.03 2wbe s VAL 30 Cb 0.11 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.85 2wbe s VAL 30 CO 0.76 0.14 -0.02 -0.62 0.00 0.00 0.00 175.10 175.36 2wbe s ASP 31 N 0.47 0.58 0.02 3.32 2.15 -0.71 -4.72 116.67 117.78 2wbe s ASP 31 Ca 0.58 -0.06 0.02 0.00 0.43 0.00 0.00 52.55 53.51 2wbe s ASP 31 Cb -0.36 -0.28 -0.04 0.00 -0.30 0.00 0.00 42.92 41.95 2wbe s ASP 31 CO 0.36 -0.07 0.02 0.54 -0.17 0.00 0.00 175.17 175.86 2wbe s VAL 32 N 0.85 4.27 -0.06 1.11 0.11 -1.26 -0.51 120.40 124.91 2wbe s VAL 32 Ca -0.10 -0.64 0.03 0.00 -2.93 0.00 0.00 61.98 58.34 2wbe s VAL 32 Cb -0.13 -2.95 0.01 0.00 -1.53 0.00 0.00 36.38 31.78 2wbe s VAL 32 CO -0.01 0.31 -0.14 0.68 -3.33 0.00 0.00 175.10 172.61 2wbe s VAL 33 N -1.17 1.23 0.23 2.04 -7.23 -0.86 -4.89 120.40 109.74 2wbe s VAL 33 Ca 0.22 -0.54 0.00 0.00 -1.81 0.00 0.00 61.98 59.85 2wbe s VAL 33 Cb -0.12 -1.11 0.00 0.00 0.56 0.00 0.00 36.38 35.72 2wbe s VAL 33 CO 0.13 0.37 0.00 0.61 -0.31 0.00 0.00 175.10 175.91 2wbe n GLY 34 N 3.71 -1.68 0.01 2.32 0.00 -1.26 -2.36 105.19 105.93 2wbe n GLY 34 Ca -0.22 -1.14 0.14 0.00 0.00 0.00 0.00 46.02 44.80 2wbe n GLY 34 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wbe n PRO 35 N -3.44 0.16 -0.12 1.61 -0.04 -1.26 -4.31 135.00 127.60 2wbe n PRO 35 Ca 0.01 -0.03 0.02 0.00 -0.04 0.00 0.00 63.50 63.46 2wbe n PRO 35 Cb 0.45 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.43 2wbe n PRO 35 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wbe n ARG 36 N -1.40 1.05 -4.23 0.54 1.74 -1.25 -1.01 116.66 112.11 2wbe n ARG 36 Ca 0.09 -1.26 -0.17 0.00 -0.77 0.00 0.00 57.85 55.74 2wbe n ARG 36 Cb 0.31 -0.82 -0.13 0.00 -1.02 0.00 0.00 32.46 30.81 2wbe n ARG 36 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2wbe s GLU 37 N -0.79 0.72 0.03 5.56 2.12 -1.00 -0.65 118.70 124.69 2wbe s GLU 37 Ca 0.06 -0.64 0.03 0.00 0.36 0.00 0.00 54.97 54.78 2wbe s GLU 37 Cb 0.05 -0.65 -0.02 0.00 0.26 0.00 0.00 34.13 33.77 2wbe s GLU 37 CO 0.01 0.16 -0.11 0.08 -0.54 0.00 0.00 175.26 174.86 2wbe s VAL 38 N -0.85 0.82 -0.03 3.70 1.01 -0.87 -2.03 120.40 122.15 2wbe s VAL 38 Ca -0.02 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.19 2wbe s VAL 38 Cb -0.07 -0.76 -0.00 0.00 0.00 0.00 0.00 36.38 35.54 2wbe s VAL 38 CO 0.01 -0.04 -0.14 0.68 0.00 0.00 0.00 175.10 175.61 2wbe s VAL 39 N -0.78 1.16 -0.13 2.92 -7.23 0.34 -1.88 120.40 114.80 2wbe s VAL 39 Ca -0.01 -0.59 -0.01 0.00 -1.81 0.00 0.00 61.98 59.57 2wbe s VAL 39 Cb -0.07 -0.99 0.04 0.00 0.56 0.00 0.00 36.38 35.91 2wbe s VAL 39 CO 0.01 0.34 -0.03 0.42 -0.31 0.00 0.00 175.10 175.53 2wbe s THR 40 N -0.03 0.78 0.00 5.32 -4.23 -1.19 -1.73 115.64 114.56 2wbe s THR 40 Ca -0.01 -0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 2wbe s THR 40 Cb -0.09 -0.98 0.00 0.00 1.34 0.00 0.00 72.50 72.78 2wbe s THR 40 CO 0.01 0.16 0.00 -1.14 -0.54 0.00 0.00 174.62 173.11 2wbe n ARG 41 N 5.00 0.00 0.00 3.99 0.63 -1.26 -2.84 116.66 122.18 2wbe n ARG 41 Ca -0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.83 2wbe n ARG 41 Cb 0.49 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.40 2wbe n ARG 41 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2wbe n HIS 42 N -0.45 0.00 -0.40 -0.14 8.25 -1.25 -3.92 115.22 117.32 2wbe n HIS 42 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 2wbe n HIS 42 Cb 0.00 0.01 0.27 0.00 1.12 0.00 0.00 29.99 31.40 2wbe n HIS 42 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2wbe n THR 43 N 0.00 0.00 0.05 1.59 5.66 -1.26 -4.82 114.28 115.49 2wbe n THR 43 Ca 0.00 -0.33 0.03 0.00 -3.05 0.00 0.00 64.05 60.70 2wbe n THR 43 Cb 0.00 -0.97 0.41 0.00 -1.55 0.00 0.00 70.33 68.22 2wbe n THR 43 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 2wbe h LEU 44 N -3.02 0.38-10.28 1.09 3.38 -1.81 -3.43 115.31 101.63 2wbe h LEU 44 Ca -0.55 -0.04 -0.47 0.00 0.09 0.00 0.00 57.88 56.91 2wbe h LEU 44 Cb 1.33 -0.10 0.17 0.00 0.09 0.00 0.00 40.66 42.16 2wbe h LEU 44 CO 0.41 0.37 0.16 -0.62 0.09 0.00 0.00 178.44 178.85 2wbe s ASP 45 N -6.77 2.45 0.00 -0.43 -1.08 -1.26 -3.38 116.67 106.20 2wbe s ASP 45 Ca -0.07 1.50 0.06 0.00 -0.52 0.00 0.00 52.55 53.51 2wbe s ASP 45 Cb 0.17 -2.18 0.34 0.00 -1.46 0.00 0.00 42.92 39.79 2wbe s ASP 45 CO 0.73 -3.28 0.75 -0.24 0.52 0.00 0.00 175.17 173.65 2wbe n SER 46 N -4.30 0.00 -4.76 -0.34 2.88 -1.26 -4.63 113.62 101.20 2wbe n SER 46 Ca 0.06 -0.60 -0.39 0.00 -1.33 0.00 0.00 58.87 56.60 2wbe n SER 46 Cb 0.55 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.95 2wbe n SER 46 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2wbe s LYS 47 N -2.00 4.72 -0.96 -1.46 -0.14 -1.26 -4.27 119.74 114.37 2wbe s LYS 47 Ca 0.09 1.37 -0.12 0.00 -1.36 0.00 0.00 55.97 55.95 2wbe s LYS 47 Cb 0.04 -3.14 0.01 0.00 -1.68 0.00 0.00 37.83 33.05 2wbe s LYS 47 CO 0.07 0.46 0.69 -0.11 -0.76 0.00 0.00 175.35 175.70 2wbe n LEU 48 N 1.25 -2.66 -4.38 3.17 7.94 -1.26 -4.15 117.00 116.90 2wbe n LEU 48 Ca -0.02 -0.89 -0.19 0.00 -1.11 0.00 0.00 56.01 53.80 2wbe n LEU 48 Cb 0.48 -2.11 -0.10 0.00 0.53 0.00 0.00 43.42 42.22 2wbe n LEU 48 CO 0.48 0.24 -0.26 0.42 -1.11 0.00 0.00 177.39 177.15 2wbe s THR 49 N -3.21 0.87 0.55 1.96 -4.23 -1.25 -3.75 115.64 106.58 2wbe s THR 49 Ca 0.22 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.61 2wbe s THR 49 Cb -0.09 -2.72 -0.05 0.00 1.34 0.00 0.00 72.50 70.98 2wbe s THR 49 CO 0.88 0.00 0.96 -0.54 -0.54 0.00 0.00 174.62 175.38 2wbe s LYS 50 N -3.96 3.71 -0.12 3.99 1.02 -1.13 -4.86 119.74 118.39 2wbe s LYS 50 Ca 0.37 0.72 0.01 0.00 0.02 0.00 0.00 55.97 57.09 2wbe s LYS 50 Cb 0.08 -2.16 -0.01 0.00 -0.52 0.00 0.00 37.83 35.22 2wbe s LYS 50 CO 0.15 -0.39 -0.16 0.15 -0.92 0.00 0.00 175.35 174.18 2wbe s LYS 51 N -4.67 3.29 -0.08 1.68 1.02 -1.26 -3.13 119.74 116.58 2wbe s LYS 51 Ca 0.55 -0.74 0.05 0.00 0.02 0.00 0.00 55.97 55.85 2wbe s LYS 51 Cb -0.11 -2.54 -0.01 0.00 -0.52 0.00 0.00 37.83 34.66 2wbe s LYS 51 CO 0.44 0.21 -0.23 -0.06 -0.92 0.00 0.00 175.35 174.78 2wbe s PHE 52 N 0.34 2.53 -0.09 3.18 0.40 -0.79 -5.01 117.98 118.55 2wbe s PHE 52 Ca -0.13 -0.88 0.03 0.00 -0.60 0.00 0.00 56.93 55.35 2wbe s PHE 52 Cb -0.16 -1.68 -0.01 0.00 0.51 0.00 0.00 43.02 41.68 2wbe s PHE 52 CO 0.07 -0.32 -0.19 -0.08 0.70 0.00 0.00 175.22 175.40 2wbe s THR 53 N 0.13 2.61 0.39 0.64 -1.32 -1.26 -2.06 115.64 114.77 2wbe s THR 53 Ca -0.12 -0.85 0.05 0.00 -1.21 0.00 0.00 61.69 59.56 2wbe s THR 53 Cb -0.16 -2.03 -0.02 0.00 -1.51 0.00 0.00 72.50 68.78 2wbe s THR 53 CO 0.07 0.56 0.18 -0.36 -2.21 0.00 0.00 174.62 172.86 2wbe s PHE 54 N -0.06 1.77 0.21 9.09 0.08 0.18 -4.98 117.98 124.26 2wbe s PHE 54 Ca -0.05 -1.43 -0.10 0.00 0.12 0.00 0.00 56.93 55.47 2wbe s PHE 54 Cb -0.14 -1.00 0.15 0.00 -0.57 0.00 0.00 43.02 41.46 2wbe s PHE 54 CO 0.04 -0.51 1.86 -0.44 -0.10 0.00 0.00 175.22 176.08 2wbe h ASP 55 N 1.89 0.90 -5.00 1.36 3.32 -1.47 -3.44 116.42 113.98 2wbe h ASP 55 Ca -0.32 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 56.60 2wbe h ASP 55 Cb 1.26 -0.23 -0.19 0.00 0.22 0.00 0.00 39.33 40.39 2wbe h ASP 55 CO 0.49 0.69 -0.01 -0.13 -1.72 0.00 0.00 179.24 178.56 2wbe s ARG 56 N -6.01 0.90 -0.09 3.56 1.81 -1.24 -4.80 118.95 113.07 2wbe s ARG 56 Ca -0.13 0.02 0.04 0.00 -1.72 0.00 0.00 55.73 53.94 2wbe s ARG 56 Cb 0.15 0.42 0.00 0.00 -0.45 0.00 0.00 34.95 35.07 2wbe s ARG 56 CO 0.79 -0.28 -0.21 -1.54 -0.68 0.00 0.00 175.30 173.38 2wbe s SER 57 N -1.34 2.76 -0.17 0.23 1.04 -0.18 -1.97 113.70 114.08 2wbe s SER 57 Ca -0.11 -0.50 -0.03 0.00 0.48 0.00 0.00 55.95 55.79 2wbe s SER 57 Cb -0.02 -1.26 -0.02 0.00 0.10 0.00 0.00 66.02 64.81 2wbe s SER 57 CO 0.06 0.13 -0.05 -0.36 0.98 0.00 0.00 173.24 174.00 2wbe s PHE 58 N 0.44 2.98 0.77 5.02 0.08 0.87 -4.76 117.98 123.38 2wbe s PHE 58 Ca -0.18 -0.49 -0.09 0.00 0.12 0.00 0.00 56.93 56.30 2wbe s PHE 58 Cb -0.17 -1.99 0.09 0.00 -0.57 0.00 0.00 43.02 40.37 2wbe s PHE 58 CO 0.07 -0.19 1.10 0.20 -0.10 0.00 0.00 175.22 176.30 2wbe s GLY 59 N 0.67 1.68 0.56 4.36 0.00 -1.26 -1.25 107.32 112.07 2wbe s GLY 59 Ca -0.03 -0.93 0.26 0.00 0.00 0.00 0.00 44.72 44.02 2wbe s GLY 59 CO 0.02 -0.44 2.07 -0.56 0.00 0.00 0.00 173.10 174.19 2wbe h PRO 60 N -0.85 0.00 -0.17 2.90 0.13 -1.80 -0.96 132.00 131.24 2wbe h PRO 60 Ca -0.44 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.59 2wbe h PRO 60 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 2wbe h PRO 60 CO 0.58 0.00 -0.31 1.05 -0.23 0.00 0.00 178.00 179.09 2wbe h GLU 61 N 0.00 0.33 -6.40 0.86 4.11 -1.92 -3.41 114.58 108.15 2wbe h GLU 61 Ca 0.13 -0.13 -0.63 0.00 0.07 0.00 0.00 59.36 58.79 2wbe h GLU 61 Cb 0.59 -0.02 0.07 0.00 0.50 0.00 0.00 28.75 29.89 2wbe h GLU 61 CO -0.00 0.62 0.53 0.45 0.07 0.00 0.00 179.01 180.67 2wbe n SER 62 N -4.09 2.14 -4.90 3.06 2.88 -0.37 -4.96 113.62 107.38 2wbe n SER 62 Ca -0.01 1.12 -0.28 0.00 -1.33 0.00 0.00 58.87 58.37 2wbe n SER 62 Cb 0.42 -1.30 0.02 0.00 -0.75 0.00 0.00 64.21 62.61 2wbe n SER 62 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2wbe s LYS 63 N 0.24 3.16 0.22 -1.46 2.20 -1.26 -4.95 119.74 117.89 2wbe s LYS 63 Ca 0.78 0.26 -0.08 0.00 -0.36 0.00 0.00 55.97 56.56 2wbe s LYS 63 Cb -0.81 -2.22 0.18 0.00 -1.51 0.00 0.00 37.83 33.48 2wbe s LYS 63 CO 0.46 -0.63 1.86 1.96 -0.36 0.00 0.00 175.35 178.64 2wbe h GLN 64 N -0.20 1.14 -0.85 4.03 1.08 -1.88 -1.80 115.11 116.63 2wbe h GLN 64 Ca -0.45 -0.11 -0.02 0.00 -1.45 0.00 0.00 58.65 56.62 2wbe h GLN 64 Cb 1.23 -0.23 -0.04 0.00 -0.05 0.00 0.00 27.48 28.39 2wbe h GLN 64 CO 0.62 0.81 0.46 0.00 -0.95 0.00 0.00 178.83 179.77 2wbe h ASP 66 N 1.19 0.70 -0.56 0.00 3.32 -1.72 0.20 116.42 119.54 2wbe h ASP 66 Ca 0.30 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 2wbe h ASP 66 Cb 0.03 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 2wbe h ASP 66 CO -0.05 0.60 0.27 0.58 -1.72 0.00 0.00 179.24 178.92 2wbe h VAL 67 N 0.74 1.21 -0.20 -1.35 2.07 -0.83 -1.11 116.25 116.77 2wbe h VAL 67 Ca 0.19 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 2wbe h VAL 67 Cb 0.07 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2wbe h VAL 67 CO -0.03 0.23 0.09 0.22 0.02 0.00 0.00 177.57 178.10 2wbe h TYR 68 N 0.76 0.30 -0.41 1.57 3.20 -0.65 -0.54 116.97 121.20 2wbe h TYR 68 Ca 0.19 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 2wbe h TYR 68 Cb 0.12 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 2wbe h TYR 68 CO -0.00 0.33 0.13 1.03 -1.64 0.00 0.00 178.16 178.01 2wbe h SER 69 N 0.18 0.61 0.69 -2.11 0.87 -0.74 0.52 113.55 113.57 2wbe h SER 69 Ca 0.07 -0.21 -0.03 0.00 -1.23 0.00 0.00 61.79 60.39 2wbe h SER 69 Cb 0.15 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2wbe h SER 69 CO -0.01 0.65 -0.33 0.58 -0.53 0.00 0.00 176.83 177.19 2wbe h VAL 70 N 0.53 0.00 0.04 2.23 2.07 -1.03 -3.36 116.25 116.74 2wbe h VAL 70 Ca 0.13 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 2wbe h VAL 70 Cb 0.27 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2wbe h VAL 70 CO -0.00 0.00 -0.02 1.62 0.02 0.00 0.00 177.57 179.19 2wbe h VAL 71 N -1.18 0.44 -0.07 2.57 3.04 -1.07 -3.42 116.25 116.55 2wbe h VAL 71 Ca -0.10 -1.26 -0.21 0.00 -1.01 0.00 0.00 66.70 64.13 2wbe h VAL 71 Cb 0.71 0.82 0.01 0.00 -2.01 0.00 0.00 31.29 30.82 2wbe h VAL 71 CO 0.16 0.14 -0.76 0.58 -1.01 0.00 0.00 177.57 176.68 2wbe h VAL 72 N -1.00 1.32 -0.98 1.51 2.07 -1.09 -3.35 116.25 114.74 2wbe h VAL 72 Ca -0.01 -2.04 0.08 0.00 0.82 0.00 0.00 66.70 65.56 2wbe h VAL 72 Cb 0.28 2.26 -0.07 0.00 -1.52 0.00 0.00 31.29 32.24 2wbe h VAL 72 CO 0.01 0.62 0.62 0.28 0.02 0.00 0.00 177.57 179.13 2wbe h SER 73 N 0.28 0.97 -0.06 0.57 0.02 -1.33 0.16 113.55 114.16 2wbe h SER 73 Ca -0.08 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 2wbe h SER 73 Cb 1.42 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 2wbe h SER 73 CO 0.15 0.59 -0.12 -0.65 -1.14 0.00 0.00 176.83 175.67 2wbe h PRO 74 N 1.09 0.37 -0.45 3.45 0.11 -1.80 -2.26 132.00 132.51 2wbe h PRO 74 Ca 0.44 -0.09 -0.11 0.00 0.11 0.00 0.00 66.00 66.35 2wbe h PRO 74 Cb 0.26 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 2wbe h PRO 74 CO -0.20 0.49 -0.17 -0.07 -0.21 0.00 0.00 178.00 177.84 2wbe h LEU 75 N 0.34 0.88 -0.72 2.35 4.07 -0.87 -1.64 115.31 119.72 2wbe h LEU 75 Ca 0.07 -0.30 -0.04 0.00 0.08 0.00 0.00 57.88 57.68 2wbe h LEU 75 Cb 0.42 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.89 2wbe h LEU 75 CO 0.02 1.03 0.28 0.40 -1.08 0.00 0.00 178.44 179.09 2wbe h ILE 76 N 0.77 1.25 -0.82 1.22 5.03 -0.93 0.01 117.51 124.04 2wbe h ILE 76 Ca 0.11 -0.80 -0.03 0.00 -0.12 0.00 0.00 64.86 64.02 2wbe h ILE 76 Cb 0.70 0.43 -0.04 0.00 -3.03 0.00 0.00 36.82 34.88 2wbe h ILE 76 CO 0.05 0.32 0.39 -0.33 -0.68 0.00 0.00 178.15 177.91 2wbe h GLU 77 N 1.03 1.18 -0.53 2.37 5.08 -1.11 -1.69 114.58 120.92 2wbe h GLU 77 Ca 0.24 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2wbe h GLU 77 Cb 0.23 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2wbe h GLU 77 CO -0.02 0.91 0.19 0.93 -1.00 0.00 0.00 179.01 180.02 2wbe h GLU 78 N 1.17 0.81 -0.44 2.33 5.08 -0.51 -0.80 114.58 122.22 2wbe h GLU 78 Ca 0.28 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 2wbe h GLU 78 Cb 0.12 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2wbe h GLU 78 CO -0.04 0.73 0.08 -0.39 -1.00 0.00 0.00 179.01 178.39 2wbe h VAL 79 N 0.72 1.21 -0.05 3.13 -1.51 -0.74 0.15 116.25 119.17 2wbe h VAL 79 Ca 0.17 -0.77 -0.04 0.00 -1.23 0.00 0.00 66.70 64.83 2wbe h VAL 79 Cb 0.24 0.79 -0.01 0.00 -2.13 0.00 0.00 31.29 30.18 2wbe h VAL 79 CO -0.01 0.28 -0.15 0.25 -1.23 0.00 0.00 177.57 176.70 2wbe h LEU 80 N 0.65 0.07 -1.19 4.19 5.85 -0.54 0.14 115.31 124.48 2wbe h LEU 80 Ca 0.14 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 2wbe h LEU 80 Cb 0.29 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 2wbe h LEU 80 CO 0.00 0.23 -0.02 0.78 -0.34 0.00 0.00 178.44 179.09 2wbe h ASN 81 N 0.07 0.00 0.00 1.25 2.35 0.69 -3.46 115.58 116.48 2wbe h ASN 81 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2wbe h ASN 81 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 2wbe h ASN 81 CO 0.02 0.02 0.00 0.61 -1.65 0.00 0.00 177.43 176.43 2wbe n GLY 82 N 0.23 1.33 3.78 2.83 0.00 0.49 -4.65 105.19 109.20 2wbe n GLY 82 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 2wbe n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wbe s TYR 83 N -2.00 3.16 0.24 1.61 2.02 -0.79 -0.44 117.35 121.14 2wbe s TYR 83 Ca 0.00 0.02 -0.23 0.00 -0.37 0.00 0.00 57.07 56.49 2wbe s TYR 83 Cb 0.00 -1.56 -0.09 0.00 -0.40 0.00 0.00 41.96 39.91 2wbe s TYR 83 CO 0.00 0.52 0.80 -0.80 -1.57 0.00 0.00 175.55 174.50 2wbe s ASN 84 N -2.75 7.22 0.01 2.29 0.01 -1.26 -3.88 114.94 116.58 2wbe s ASN 84 Ca 0.30 1.60 -0.00 0.00 -0.71 0.00 0.00 52.86 54.05 2wbe s ASN 84 Cb -0.11 -2.49 -0.01 0.00 0.41 0.00 0.00 41.25 39.05 2wbe s ASN 84 CO 0.22 0.04 -0.02 0.00 -1.51 0.00 0.00 177.10 175.84 2wbe s THR 86 N -1.05 0.03 -0.04 0.00 2.01 -0.78 -1.49 115.64 114.33 2wbe s THR 86 Ca -0.11 -0.24 0.01 0.00 0.31 0.00 0.00 61.69 61.65 2wbe s THR 86 Cb -0.07 -0.16 0.02 0.00 0.01 0.00 0.00 72.50 72.30 2wbe s THR 86 CO -0.01 -0.13 -0.02 0.54 -0.69 0.00 0.00 174.62 174.31 2wbe s VAL 87 N -0.39 0.37 0.04 3.82 0.11 -0.18 -1.07 120.40 123.10 2wbe s VAL 87 Ca -0.04 -0.03 0.01 0.00 -2.93 0.00 0.00 61.98 58.98 2wbe s VAL 87 Cb -0.03 -0.42 -0.03 0.00 -1.53 0.00 0.00 36.38 34.37 2wbe s VAL 87 CO 0.00 0.18 -0.05 0.72 -3.33 0.00 0.00 175.10 172.62 2wbe s PHE 88 N 0.91 0.53 -0.17 1.54 -0.12 -0.97 -0.59 117.98 119.11 2wbe s PHE 88 Ca -0.11 -0.63 -0.08 0.00 -0.05 0.00 0.00 56.93 56.06 2wbe s PHE 88 Cb -0.14 -0.34 -0.05 0.00 -0.63 0.00 0.00 43.02 41.87 2wbe s PHE 88 CO -0.01 -0.17 0.12 0.00 -0.05 0.00 0.00 175.22 175.12 2wbe s ALA 89 N -1.99 3.70 -0.02 1.99 0.00 -0.19 -1.24 121.76 124.01 2wbe s ALA 89 Ca -0.07 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.22 2wbe s ALA 89 Cb -0.06 -2.05 -0.00 0.00 0.00 0.00 0.00 23.12 21.01 2wbe s ALA 89 CO -0.02 0.32 -0.08 -0.47 0.00 0.00 0.00 175.76 175.51 2wbe s TYR 90 N -0.12 0.81 0.00 0.00 6.14 -0.67 -2.80 117.35 120.71 2wbe s TYR 90 Ca 0.10 -0.17 0.00 0.00 0.64 0.00 0.00 57.07 57.63 2wbe s TYR 90 Cb -0.11 -0.56 0.00 0.00 0.42 0.00 0.00 41.96 41.71 2wbe s TYR 90 CO 0.00 -0.05 0.00 0.41 0.64 0.00 0.00 175.55 176.55 2wbe n GLY 91 N 3.09 1.98 3.74 8.97 0.00 -1.26 -0.76 105.19 120.94 2wbe n GLY 91 Ca -0.16 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 44.37 2wbe n GLY 91 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wbe s GLN 92 N -2.00 2.25 0.26 1.61 0.74 -1.26 -2.21 119.66 119.06 2wbe s GLN 92 Ca 0.00 1.51 -0.30 0.00 0.05 0.00 0.00 55.36 56.62 2wbe s GLN 92 Cb 0.00 -1.87 -0.11 0.00 1.10 0.00 0.00 33.01 32.13 2wbe s GLN 92 CO 0.00 -1.70 1.53 -0.08 -0.55 0.00 0.00 175.29 174.49 2wbe s THR 93 N -2.33 2.36 0.00 -0.34 -1.32 -1.26 -1.68 115.64 111.07 2wbe s THR 93 Ca 0.69 0.30 0.00 0.00 -1.21 0.00 0.00 61.69 61.47 2wbe s THR 93 Cb -0.23 -3.19 0.00 0.00 -1.51 0.00 0.00 72.50 67.56 2wbe s THR 93 CO 0.47 0.05 0.00 0.61 -2.21 0.00 0.00 174.62 173.54 2wbe n GLY 94 N 2.33 0.77 0.21 6.08 0.00 -1.26 -4.91 105.19 108.42 2wbe n GLY 94 Ca 0.08 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.20 2wbe n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wbe h THR 95 N 0.00 0.36 0.00 2.61 1.03 -1.65 -3.47 112.91 111.78 2wbe h THR 95 Ca 0.00 -1.22 0.00 0.00 -0.01 0.00 0.00 66.41 65.18 2wbe h THR 95 Cb 0.00 1.93 0.00 0.00 -1.07 0.00 0.00 68.15 69.01 2wbe h THR 95 CO 0.00 0.18 0.00 0.61 -0.01 0.00 0.00 175.52 176.30 2wbe n GLY 96 N 0.64 1.75 0.14 2.99 0.00 -1.26 -4.18 105.19 105.27 2wbe n GLY 96 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 2wbe n GLY 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wbe h LYS 97 N 0.00 0.37 -0.54 1.61 1.57 -1.91 -1.26 116.57 116.41 2wbe h LYS 97 Ca 0.00 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 2wbe h LYS 97 Cb 0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 2wbe h LYS 97 CO 0.00 0.42 -0.10 1.15 -0.57 0.00 0.00 179.45 180.35 2wbe h THR 98 N 0.24 1.27 -0.50 -0.16 2.02 -1.96 -0.51 112.91 113.32 2wbe h THR 98 Ca 0.08 -1.25 0.03 0.00 0.77 0.00 0.00 66.41 66.03 2wbe h THR 98 Cb 0.19 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 2wbe h THR 98 CO -0.01 0.44 0.29 -0.74 0.37 0.00 0.00 175.52 175.88 2wbe h HIS 99 N 0.91 0.55 0.06 3.16 -0.00 -1.87 0.51 115.15 118.47 2wbe h HIS 99 Ca 0.14 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.53 2wbe h HIS 99 Cb 0.66 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 27.90 2wbe h HIS 99 CO 0.04 0.31 -0.03 1.15 -0.00 0.00 0.00 177.93 179.40 2wbe h THR 100 N 0.59 1.17 0.13 6.26 2.02 -0.88 -0.49 112.91 121.71 2wbe h THR 100 Ca 0.20 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.55 2wbe h THR 100 Cb 0.03 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 2wbe h THR 100 CO -0.10 0.20 -0.06 0.24 0.37 0.00 0.00 175.52 176.17 2wbe h MET 101 N -0.46 -0.17 0.00 6.66 2.86 -0.81 -1.08 114.93 121.93 2wbe h MET 101 Ca -0.01 0.01 -0.19 0.00 -2.06 0.00 0.00 59.70 57.45 2wbe h MET 101 Cb 0.40 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 2wbe h MET 101 CO 0.01 0.26 -1.13 -0.39 1.06 0.00 0.00 176.91 176.72 2wbe h VAL 102 N -0.71 0.77 -0.70 -2.22 -1.51 -0.14 0.24 116.25 111.99 2wbe h VAL 102 Ca -0.02 -1.99 0.00 0.00 -1.23 0.00 0.00 66.70 63.46 2wbe h VAL 102 Cb 0.52 1.88 0.00 0.00 -2.13 0.00 0.00 31.29 31.55 2wbe h VAL 102 CO 0.03 0.26 0.00 0.61 -1.23 0.00 0.00 177.57 177.24 2wbe n GLY 103 N 1.46 0.19 3.56 5.19 0.00 -0.19 0.08 105.19 115.48 2wbe n GLY 103 Ca -0.28 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.40 2wbe n GLY 103 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wbe s ASN 104 N -4.00 5.72 0.01 1.61 2.47 -1.11 -4.71 114.94 114.92 2wbe s ASN 104 Ca 0.00 -0.61 -0.25 0.00 0.42 0.00 0.00 52.86 52.42 2wbe s ASN 104 Cb 0.00 -2.56 -0.15 0.00 -1.45 0.00 0.00 41.25 37.09 2wbe s ASN 104 CO 0.00 -2.17 1.13 1.05 -3.72 0.00 0.00 177.10 173.39 2wbe h GLU 105 N 11.49 -0.59 0.00 0.43 4.11 -1.74 -3.23 114.58 125.05 2wbe h GLU 105 Ca -0.02 0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.45 2wbe h GLU 105 Cb 1.05 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2wbe h GLU 105 CO 1.28 -0.28 0.00 -2.37 0.07 0.00 0.00 179.01 177.71 2wbe n THR 106 N -5.23 0.00 -1.70 -1.06 5.66 -1.24 -4.28 114.28 106.44 2wbe n THR 106 Ca -0.10 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.48 2wbe n THR 106 Cb 0.30 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.05 2wbe n THR 106 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wbe n ALA 107 N -3.00 2.49 -2.48 1.79 0.00 -1.24 -3.43 120.51 114.64 2wbe n ALA 107 Ca 0.00 0.34 -0.23 0.00 0.00 0.00 0.00 53.44 53.56 2wbe n ALA 107 Cb 0.00 -2.58 -0.11 0.00 0.00 0.00 0.00 19.45 16.77 2wbe n ALA 107 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2wbe s GLU 108 N 2.17 1.70 -0.95 0.00 2.12 -1.25 -4.92 118.70 117.56 2wbe s GLU 108 Ca 0.79 -1.94 -0.24 0.00 0.36 0.00 0.00 54.97 53.95 2wbe s GLU 108 Cb -0.48 -1.06 0.01 0.00 0.26 0.00 0.00 34.13 32.86 2wbe s GLU 108 CO 0.35 -0.13 1.67 -0.51 -0.54 0.00 0.00 175.26 176.10 2wbe s LEU 109 N -3.53 3.34 0.14 2.70 1.02 -1.26 -4.72 118.68 116.38 2wbe s LEU 109 Ca 0.35 -1.04 -0.25 0.00 0.02 0.00 0.00 54.13 53.21 2wbe s LEU 109 Cb 0.08 -2.56 0.07 0.00 0.02 0.00 0.00 46.19 43.80 2wbe s LEU 109 CO 0.16 -2.08 1.02 -0.75 0.02 0.00 0.00 176.35 174.71 2wbe s LYS 110 N 5.94 1.13 0.36 1.70 2.20 -1.26 -5.02 119.74 124.79 2wbe s LYS 110 Ca 0.57 -0.65 0.09 0.00 -0.36 0.00 0.00 55.97 55.62 2wbe s LYS 110 Cb -0.03 0.37 0.70 0.00 -1.51 0.00 0.00 37.83 37.36 2wbe s LYS 110 CO -0.04 -0.52 1.87 0.66 -0.36 0.00 0.00 175.35 176.95 2wbe h SER 111 N 2.00 0.24 -4.51 1.43 4.64 -2.03 -3.44 113.55 111.88 2wbe h SER 111 Ca -0.26 -0.06 -0.42 0.00 -0.47 0.00 0.00 61.79 60.59 2wbe h SER 111 Cb 1.22 -0.06 0.12 0.00 -0.31 0.00 0.00 62.40 63.38 2wbe h SER 111 CO 0.28 0.44 0.26 -1.20 -0.87 0.00 0.00 176.83 175.74 2wbe n SER 112 N -4.22 0.65 0.00 4.97 7.64 -1.26 -5.05 113.62 116.35 2wbe n SER 112 Ca -0.01 -1.74 0.00 0.00 1.01 0.00 0.00 58.87 58.13 2wbe n SER 112 Cb 0.31 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 2wbe n SER 112 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2wbe n TRP 113 N -3.27 0.00 -0.07 1.43 7.02 -1.26 -3.79 117.44 117.50 2wbe n TRP 113 Ca 0.16 0.00 0.18 0.00 -1.02 0.00 0.00 57.50 56.81 2wbe n TRP 113 Cb 0.55 0.00 0.60 0.00 -2.42 0.00 0.00 31.31 30.04 2wbe n TRP 113 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 2wbe h GLU 114 N 0.00 0.19 -5.76 -0.99 4.81 -1.74 -3.29 114.58 107.80 2wbe h GLU 114 Ca 0.00 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 2wbe h GLU 114 Cb 0.00 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2wbe h GLU 114 CO 0.00 0.12 -0.94 -3.47 -0.73 0.00 0.00 179.01 173.99 2wbe n ASP 115 N -4.42 -7.19 -0.31 1.04 -0.08 -1.26 -3.98 116.55 100.35 2wbe n ASP 115 Ca 0.12 0.70 0.02 0.00 -1.51 0.00 0.00 54.79 54.12 2wbe n ASP 115 Cb 0.56 -3.67 0.16 0.00 2.34 0.00 0.00 41.12 40.51 2wbe n ASP 115 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 2wbe h ASP 116 N 2.85 0.79 0.33 1.67 1.82 -1.90 0.70 116.42 122.67 2wbe h ASP 116 Ca -0.09 0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.56 2wbe h ASP 116 Cb 0.72 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.60 2wbe h ASP 116 CO 0.11 0.47 -0.16 -1.28 -1.61 0.00 0.00 179.24 176.78 2wbe h SER 117 N 0.91 -0.38 0.91 2.28 0.87 -1.95 -3.26 113.55 112.92 2wbe h SER 117 Ca 0.40 -0.11 -0.09 0.00 -1.23 0.00 0.00 61.79 60.77 2wbe h SER 117 Cb 0.28 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 2wbe h SER 117 CO -0.21 -0.11 -0.42 0.44 -0.53 0.00 0.00 176.83 176.00 2wbe h ASP 118 N -0.65 0.00 -0.90 6.23 3.32 -1.73 -3.43 116.42 119.26 2wbe h ASP 118 Ca -0.05 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.36 2wbe h ASP 118 Cb 0.46 0.00 0.08 0.00 0.22 0.00 0.00 39.33 40.09 2wbe h ASP 118 CO 0.08 0.42 -0.28 -0.38 -1.72 0.00 0.00 179.24 177.36 2wbe n ILE 119 N -3.51 1.13 -2.00 0.35 2.08 0.24 -2.76 119.36 114.89 2wbe n ILE 119 Ca -0.00 -0.28 0.00 0.00 0.56 0.00 0.00 62.75 63.03 2wbe n ILE 119 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.44 2wbe n ILE 119 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2wbe n GLY 120 N 1.63 0.88 0.16 7.39 0.00 0.11 -4.75 105.19 110.62 2wbe n GLY 120 Ca 0.17 -1.95 -0.10 0.00 0.00 0.00 0.00 46.02 44.14 2wbe n GLY 120 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2wbe h ILE 121 N -0.25 1.18 -0.01 -0.61 1.08 0.06 -2.59 117.51 116.37 2wbe h ILE 121 Ca 0.00 -0.56 -0.00 0.00 -0.39 0.00 0.00 64.86 63.91 2wbe h ILE 121 Cb 0.00 0.98 -0.00 0.00 -3.07 0.00 0.00 36.82 34.73 2wbe h ILE 121 CO 0.00 0.19 0.01 0.40 -0.69 0.00 0.00 178.15 178.06 2wbe h ILE 122 N 0.35 1.10 -0.23 -0.67 5.03 -1.28 0.78 117.51 122.60 2wbe h ILE 122 Ca 0.10 -0.31 -0.05 0.00 -0.12 0.00 0.00 64.86 64.48 2wbe h ILE 122 Cb 0.19 1.29 -0.01 0.00 -3.03 0.00 0.00 36.82 35.25 2wbe h ILE 122 CO -0.01 0.08 -0.09 1.55 -0.68 0.00 0.00 178.15 179.00 2wbe h PRO 123 N -0.11 0.36 -0.46 2.37 0.13 -1.77 -1.27 132.00 131.26 2wbe h PRO 123 Ca 0.00 -0.08 -0.13 0.00 -0.87 0.00 0.00 66.00 64.92 2wbe h PRO 123 Cb 0.13 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.20 2wbe h PRO 123 CO -0.00 0.46 -0.23 0.00 -0.23 0.00 0.00 178.00 178.00 2wbe h ARG 124 N 0.34 0.96 -0.83 0.86 3.08 -1.01 -2.39 114.38 115.39 2wbe h ARG 124 Ca 0.07 -0.43 -0.03 0.00 0.07 0.00 0.00 59.98 59.66 2wbe h ARG 124 Cb 0.38 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.37 2wbe h ARG 124 CO 0.02 1.10 0.38 0.00 -1.07 0.00 0.00 179.97 180.40 2wbe h ALA 125 N 0.84 1.11 -0.42 0.04 0.00 -0.23 0.49 119.26 121.09 2wbe h ALA 125 Ca 0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2wbe h ALA 125 Cb 0.81 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2wbe h ALA 125 CO 0.07 0.66 0.21 -0.07 0.00 0.00 0.00 179.25 180.12 2wbe h LEU 126 N 1.19 0.54 -0.69 0.00 3.38 -0.99 0.13 115.31 118.87 2wbe h LEU 126 Ca 0.28 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 2wbe h LEU 126 Cb 0.14 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2wbe h LEU 126 CO -0.03 0.50 0.01 -1.28 0.09 0.00 0.00 178.44 177.73 2wbe h SER 127 N 0.54 1.00 -0.71 -0.43 0.87 -0.99 -2.99 113.55 110.84 2wbe h SER 127 Ca 0.14 -0.27 -0.05 0.00 -1.23 0.00 0.00 61.79 60.38 2wbe h SER 127 Cb 0.10 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.76 2wbe h SER 127 CO -0.02 1.05 0.25 -0.74 -0.53 0.00 0.00 176.83 176.84 2wbe h HIS 128 N 0.94 1.12 -0.26 2.24 -0.00 -0.20 -1.88 115.15 117.11 2wbe h HIS 128 Ca 0.17 -0.10 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 2wbe h HIS 128 Cb 0.53 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.60 2wbe h HIS 128 CO 0.04 0.88 0.16 -0.07 -0.00 0.00 0.00 177.93 178.94 2wbe h LEU 129 N 1.04 0.30 -0.40 0.26 3.38 -0.62 -1.80 115.31 117.48 2wbe h LEU 129 Ca 0.23 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 2wbe h LEU 129 Cb 0.27 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2wbe h LEU 129 CO -0.01 0.24 0.04 -0.26 0.09 0.00 0.00 178.44 178.54 2wbe h PHE 130 N 0.34 0.72 -0.72 1.13 0.04 -1.40 -0.85 116.94 116.20 2wbe h PHE 130 Ca 0.09 -0.11 -0.07 0.00 2.80 0.00 0.00 57.97 60.69 2wbe h PHE 130 Cb -0.02 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 37.91 2wbe h PHE 130 CO -0.05 0.72 0.19 0.38 -0.60 0.00 0.00 178.31 178.95 2wbe h ASP 131 N 0.51 1.07 -0.54 2.17 2.03 -1.10 -1.50 116.42 119.05 2wbe h ASP 131 Ca 0.12 -0.22 -0.12 0.00 -0.73 0.00 0.00 57.03 56.08 2wbe h ASP 131 Cb 0.41 -0.28 -0.02 0.00 -0.83 0.00 0.00 39.33 38.61 2wbe h ASP 131 CO 0.01 1.01 -0.11 -0.33 -1.03 0.00 0.00 179.24 178.79 2wbe h GLU 132 N 1.08 1.04 -0.78 4.15 4.39 -1.13 -2.89 114.58 120.44 2wbe h GLU 132 Ca 0.23 -0.39 -0.02 0.00 0.34 0.00 0.00 59.36 59.52 2wbe h GLU 132 Cb 0.35 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.90 2wbe h GLU 132 CO -0.00 1.08 0.42 1.25 -1.16 0.00 0.00 179.01 180.60 2wbe h LEU 133 N 0.92 0.97 -0.96 1.33 6.46 -0.76 -1.55 115.31 121.71 2wbe h LEU 133 Ca 0.14 -0.08 0.07 0.00 -0.12 0.00 0.00 57.88 57.89 2wbe h LEU 133 Cb 0.68 -0.25 -0.07 0.00 -0.73 0.00 0.00 40.66 40.30 2wbe h LEU 133 CO 0.05 0.78 0.62 -0.09 -0.62 0.00 0.00 178.44 179.17 2wbe h ARG 134 N 1.09 1.08 -0.75 1.25 2.43 -1.06 -1.65 114.38 116.77 2wbe h ARG 134 Ca 0.28 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.32 2wbe h ARG 134 Cb 0.03 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.30 2wbe h ARG 134 CO -0.04 0.71 0.23 0.52 -1.51 0.00 0.00 179.97 179.88 2wbe h MET 135 N 1.11 1.16 -6.14 0.20 2.86 -1.29 -3.42 114.93 109.40 2wbe h MET 135 Ca 0.42 -0.25 -0.57 0.00 -2.06 0.00 0.00 59.70 57.24 2wbe h MET 135 Cb 0.19 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.63 2wbe h MET 135 CO -0.18 0.98 -0.03 -1.64 1.06 0.00 0.00 176.91 177.10 2wbe s MET 136 N -5.41 4.26 0.22 1.72 -1.94 -0.62 -4.97 119.30 112.57 2wbe s MET 136 Ca -0.12 0.72 0.02 0.00 -1.71 0.00 0.00 55.69 54.60 2wbe s MET 136 Cb 0.15 -3.30 0.21 0.00 2.01 0.00 0.00 34.83 33.91 2wbe s MET 136 CO 0.84 0.49 1.55 0.93 -0.01 0.00 0.00 175.02 178.82 2wbe h GLU 137 N 5.15 0.34 -6.99 2.03 5.08 -1.83 -3.46 114.58 114.89 2wbe h GLU 137 Ca -0.47 -0.23 -0.53 0.00 -1.00 0.00 0.00 59.36 57.13 2wbe h GLU 137 Cb 1.21 0.03 0.21 0.00 0.50 0.00 0.00 28.75 30.69 2wbe h GLU 137 CO 0.67 0.83 -0.20 1.33 -1.00 0.00 0.00 179.01 180.63 2wbe n VAL 138 N -3.91 0.20 -2.46 3.13 0.24 -1.26 -4.91 118.33 109.37 2wbe n VAL 138 Ca -0.03 -0.13 -0.39 0.00 -2.04 0.00 0.00 64.34 61.76 2wbe n VAL 138 Cb 0.61 -0.81 -0.04 0.00 -1.47 0.00 0.00 33.84 32.13 2wbe n VAL 138 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2wbe s GLU 139 N -4.02 4.36 -0.02 7.34 2.02 -1.25 -4.87 118.70 122.26 2wbe s GLU 139 Ca 0.62 1.72 0.04 0.00 0.02 0.00 0.00 54.97 57.37 2wbe s GLU 139 Cb -0.23 -2.87 -0.01 0.00 0.10 0.00 0.00 34.13 31.12 2wbe s GLU 139 CO 0.62 -0.02 -0.14 0.71 0.02 0.00 0.00 175.26 176.46 2wbe s TYR 140 N -1.38 1.30 -0.04 1.61 1.51 -1.26 -1.34 117.35 117.77 2wbe s TYR 140 Ca 0.51 -0.30 0.01 0.00 -1.01 0.00 0.00 57.07 56.29 2wbe s TYR 140 Cb -0.29 -0.87 0.02 0.00 -0.11 0.00 0.00 41.96 40.72 2wbe s TYR 140 CO 0.36 -0.08 -0.04 -0.08 -1.11 0.00 0.00 175.55 174.60 2wbe s THR 141 N -0.11 0.49 -0.01 -0.71 -1.32 0.55 -4.99 115.64 109.53 2wbe s THR 141 Ca 0.01 -0.13 0.01 0.00 -1.21 0.00 0.00 61.69 60.38 2wbe s THR 141 Cb -0.08 -0.51 0.00 0.00 -1.51 0.00 0.00 72.50 70.41 2wbe s THR 141 CO 0.00 0.20 -0.04 -0.04 -2.21 0.00 0.00 174.62 172.54 2wbe s MET 142 N 0.73 0.38 0.06 7.08 -1.94 -1.26 -1.08 119.30 123.28 2wbe s MET 142 Ca -0.09 -0.12 0.05 0.00 -1.71 0.00 0.00 55.69 53.82 2wbe s MET 142 Cb -0.12 -0.40 -0.03 0.00 2.01 0.00 0.00 34.83 36.29 2wbe s MET 142 CO 0.00 0.05 -0.14 -0.98 -0.01 0.00 0.00 175.02 173.94 2wbe s ARG 143 N 0.14 0.82 0.10 2.03 1.70 -0.89 -1.25 118.95 121.61 2wbe s ARG 143 Ca -0.01 -0.91 0.07 0.00 -0.47 0.00 0.00 55.73 54.41 2wbe s ARG 143 Cb -0.04 -0.82 -0.03 0.00 -0.57 0.00 0.00 34.95 33.48 2wbe s ARG 143 CO -0.00 0.19 -0.18 0.42 -1.08 0.00 0.00 175.30 174.64 2wbe s ILE 144 N -1.20 1.51 0.05 4.99 1.09 0.79 -0.93 121.20 127.49 2wbe s ILE 144 Ca -0.02 -1.53 0.02 0.00 -1.10 0.00 0.00 60.65 58.03 2wbe s ILE 144 Cb -0.10 -1.44 -0.03 0.00 -1.06 0.00 0.00 42.46 39.84 2wbe s ILE 144 CO 0.02 -0.17 -0.08 -0.44 -0.10 0.00 0.00 174.94 174.18 2wbe s SER 145 N -1.98 0.88 -0.12 3.58 0.01 -0.49 -0.66 113.70 114.91 2wbe s SER 145 Ca 0.05 -0.60 -0.04 0.00 1.31 0.00 0.00 55.95 56.67 2wbe s SER 145 Cb -0.09 0.04 0.06 0.00 0.21 0.00 0.00 66.02 66.24 2wbe s SER 145 CO 0.04 -0.24 0.16 -0.47 0.41 0.00 0.00 173.24 173.14 2wbe s TYR 146 N -1.65 -0.15 0.12 2.43 5.04 -1.26 -1.39 117.35 120.49 2wbe s TYR 146 Ca -0.07 0.41 0.01 0.00 -2.44 0.00 0.00 57.07 54.98 2wbe s TYR 146 Cb -0.08 -0.34 -0.04 0.00 0.35 0.00 0.00 41.96 41.85 2wbe s TYR 146 CO -0.00 -0.37 -0.02 -1.17 -1.34 0.00 0.00 175.55 172.65 2wbe s LEU 147 N 2.28 2.27 0.06 6.97 2.96 -0.87 -0.98 118.68 131.38 2wbe s LEU 147 Ca 0.04 -1.09 0.02 0.00 -0.22 0.00 0.00 54.13 52.88 2wbe s LEU 147 Cb -0.13 0.02 -0.03 0.00 0.50 0.00 0.00 46.19 46.54 2wbe s LEU 147 CO -0.07 -0.55 -0.08 -1.83 -1.32 0.00 0.00 176.35 172.49 2wbe s GLU 148 N -3.90 0.66 -0.18 1.98 -1.05 -0.51 -1.02 118.70 114.68 2wbe s GLU 148 Ca 0.17 -0.96 0.01 0.00 -0.15 0.00 0.00 54.97 54.04 2wbe s GLU 148 Cb 0.06 -0.33 0.02 0.00 -0.44 0.00 0.00 34.13 33.43 2wbe s GLU 148 CO -0.01 0.05 -0.19 -1.17 0.95 0.00 0.00 175.26 174.88 2wbe s LEU 149 N -2.04 2.18 -0.04 1.83 0.20 0.04 -1.26 118.68 119.58 2wbe s LEU 149 Ca -0.02 -0.63 0.00 0.00 0.69 0.00 0.00 54.13 54.17 2wbe s LEU 149 Cb -0.06 -1.49 0.02 0.00 -0.43 0.00 0.00 46.19 44.24 2wbe s LEU 149 CO -0.01 0.01 -0.02 -0.47 -0.29 0.00 0.00 176.35 175.57 2wbe s TYR 150 N 1.24 0.55 -1.52 5.38 5.04 -0.52 -0.93 117.35 126.59 2wbe s TYR 150 Ca 0.04 -0.11 -0.10 0.00 -2.44 0.00 0.00 57.07 54.45 2wbe s TYR 150 Cb -0.13 -0.59 0.08 0.00 0.35 0.00 0.00 41.96 41.67 2wbe s TYR 150 CO -0.11 -0.19 0.76 0.09 -1.34 0.00 0.00 175.55 174.76 2wbe n ASN 151 N 4.29 -2.83 -1.91 4.32 5.03 -1.26 -0.48 115.26 122.41 2wbe n ASN 151 Ca -0.22 -0.91 -0.19 0.00 0.87 0.00 0.00 54.58 54.13 2wbe n ASN 151 Cb 0.50 -3.38 -0.04 0.00 -1.02 0.00 0.00 39.78 35.84 2wbe n ASN 151 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 2wbe n GLU 152 N -4.48 -1.46 -4.94 3.52 0.00 -1.26 -4.98 120.64 107.05 2wbe n GLU 152 Ca -0.08 1.03 -0.26 0.00 0.00 0.00 0.00 57.16 57.85 2wbe n GLU 152 Cb 0.57 -5.50 -0.16 0.00 0.00 0.00 0.00 31.44 26.36 2wbe n GLU 152 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 2wbe s GLU 153 N -4.43 1.68 -0.23 5.31 -1.05 0.37 -4.89 118.70 115.45 2wbe s GLU 153 Ca 0.00 -0.68 -0.10 0.00 -0.15 0.00 0.00 54.97 54.03 2wbe s GLU 153 Cb 0.00 -1.56 -0.05 0.00 -0.44 0.00 0.00 34.13 32.08 2wbe s GLU 153 CO 0.00 0.37 0.15 -0.51 0.95 0.00 0.00 175.26 176.22 2wbe s LEU 154 N -0.32 4.08 -0.04 1.83 1.02 -1.16 -1.44 118.68 122.65 2wbe s LEU 154 Ca 0.04 0.10 0.06 0.00 0.02 0.00 0.00 54.13 54.36 2wbe s LEU 154 Cb -0.09 -2.09 -0.01 0.00 0.02 0.00 0.00 46.19 44.02 2wbe s LEU 154 CO 0.00 0.08 -0.24 0.00 0.02 0.00 0.00 176.35 176.21 2wbe s ASP 156 N -0.28 7.08 0.32 0.00 -1.08 -1.23 -1.43 116.67 120.05 2wbe s ASP 156 Ca 0.01 1.35 0.12 0.00 -0.52 0.00 0.00 52.55 53.51 2wbe s ASP 156 Cb -0.12 -2.53 0.53 0.00 -1.46 0.00 0.00 42.92 39.34 2wbe s ASP 156 CO 0.02 -0.62 1.70 -0.07 0.52 0.00 0.00 175.17 176.72 2wbe h LEU 157 N 9.26 0.00 -0.60 -1.34 3.38 -1.40 -2.56 115.31 122.05 2wbe h LEU 157 Ca -0.21 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.61 2wbe h LEU 157 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 2wbe h LEU 157 CO 0.95 0.50 -0.69 -0.07 0.09 0.00 0.00 178.44 179.23 2wbe h LEU 158 N 0.00 0.09 -6.95 1.67 3.38 -1.91 -3.40 115.31 108.18 2wbe h LEU 158 Ca -0.01 -0.06 -0.49 0.00 0.09 0.00 0.00 57.88 57.42 2wbe h LEU 158 Cb 0.92 -0.03 -0.41 0.00 0.09 0.00 0.00 40.66 41.24 2wbe h LEU 158 CO 0.07 0.74 -0.76 -0.44 0.09 0.00 0.00 178.44 178.14 2wbe s SER 159 N -6.85 2.82 0.49 -0.43 0.01 -0.99 -4.98 113.70 103.77 2wbe s SER 159 Ca -0.02 -0.88 0.28 0.00 1.31 0.00 0.00 55.95 56.64 2wbe s SER 159 Cb 0.12 -0.29 1.19 0.00 0.21 0.00 0.00 66.02 67.25 2wbe s SER 159 CO 0.78 -0.38 1.93 0.00 0.41 0.00 0.00 173.24 175.98 2wbe h THR 160 N 6.42 0.38 -0.98 1.44 1.03 -1.73 -3.12 112.91 116.35 2wbe h THR 160 Ca -0.17 -0.81 0.04 0.00 -0.01 0.00 0.00 66.41 65.46 2wbe h THR 160 Cb 1.09 1.59 -0.06 0.00 -1.07 0.00 0.00 68.15 69.71 2wbe h THR 160 CO 0.35 0.13 0.64 0.44 -0.01 0.00 0.00 175.52 177.07 2wbe h ASP 161 N 0.00 1.06 -0.51 0.00 3.32 -1.94 -1.93 116.42 116.42 2wbe h ASP 161 Ca -0.00 -0.01 -0.71 0.00 0.02 0.00 0.00 57.03 56.33 2wbe h ASP 161 Cb 0.58 -0.24 -0.07 0.00 0.22 0.00 0.00 39.33 39.82 2wbe h ASP 161 CO 0.02 0.72 2.66 -0.67 -1.72 0.00 0.00 179.24 180.25 2wbe n ASP 162 N -4.47 4.38 0.06 6.45 -0.08 -1.18 -4.68 116.55 117.03 2wbe n ASP 162 Ca 0.13 -2.90 -0.02 0.00 -1.51 0.00 0.00 54.79 50.49 2wbe n ASP 162 Cb 0.10 -1.66 -0.01 0.00 2.34 0.00 0.00 41.12 41.90 2wbe n ASP 162 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2wbe h THR 163 N 4.43 0.00 0.05 5.18 2.02 -1.61 -3.26 112.91 119.71 2wbe h THR 163 Ca 0.50 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.63 2wbe h THR 163 Cb 0.71 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2wbe h THR 163 CO 1.71 0.00 -0.02 0.00 0.37 0.00 0.00 175.52 177.57 2wbe h THR 164 N -0.20 1.25 -2.34 3.16 1.03 -1.83 -3.32 112.91 110.66 2wbe h THR 164 Ca -0.02 -1.07 -0.05 0.00 -0.01 0.00 0.00 66.41 65.27 2wbe h THR 164 Cb 0.11 1.94 -0.24 0.00 -1.07 0.00 0.00 68.15 68.90 2wbe h THR 164 CO 0.03 0.26 -0.15 -0.75 -0.01 0.00 0.00 175.52 174.90 2wbe s LYS 165 N -4.24 0.54 -0.01 0.00 2.20 -1.21 -2.98 119.74 114.04 2wbe s LYS 165 Ca -0.15 1.00 0.01 0.00 -0.36 0.00 0.00 55.97 56.46 2wbe s LYS 165 Cb 0.02 0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 36.36 2wbe s LYS 165 CO 0.64 -0.16 0.03 0.42 -0.36 0.00 0.00 175.35 175.93 2wbe s ILE 166 N 1.53 4.40 0.38 5.43 1.01 -0.88 -4.93 121.20 128.14 2wbe s ILE 166 Ca -0.10 -0.51 0.08 0.00 0.00 0.00 0.00 60.65 60.12 2wbe s ILE 166 Cb -0.07 -2.98 -0.03 0.00 0.01 0.00 0.00 42.46 39.38 2wbe s ILE 166 CO -0.16 0.37 0.26 0.00 0.00 0.00 0.00 174.94 175.41 2wbe s ARG 167 N -1.61 2.48 -0.16 2.79 1.70 -1.26 -4.42 118.95 118.45 2wbe s ARG 167 Ca 0.21 -1.54 -0.09 0.00 -0.47 0.00 0.00 55.73 53.84 2wbe s ARG 167 Cb -0.12 -2.27 -0.05 0.00 -0.57 0.00 0.00 34.95 31.94 2wbe s ARG 167 CO 0.11 -0.03 0.13 0.96 -1.08 0.00 0.00 175.30 175.40 2wbe s ILE 168 N -2.44 5.40 0.39 4.99 -4.36 -1.26 -1.47 121.20 122.46 2wbe s ILE 168 Ca 0.42 0.18 0.04 0.00 -0.26 0.00 0.00 60.65 61.03 2wbe s ILE 168 Cb -0.02 -3.42 -0.03 0.00 1.25 0.00 0.00 42.46 40.24 2wbe s ILE 168 CO 0.25 0.52 0.11 -0.36 0.24 0.00 0.00 174.94 175.70 2wbe s PHE 169 N -0.22 1.82 -0.02 1.37 0.08 0.31 -4.89 117.98 116.42 2wbe s PHE 169 Ca 0.11 -1.20 0.02 0.00 0.12 0.00 0.00 56.93 55.97 2wbe s PHE 169 Cb -0.11 -1.20 -0.03 0.00 -0.57 0.00 0.00 43.02 41.10 2wbe s PHE 169 CO 0.01 -0.21 -0.04 -0.51 -0.10 0.00 0.00 175.22 174.37 2wbe s ASP 170 N -3.59 4.86 0.67 1.36 1.11 -1.26 0.92 116.67 120.74 2wbe s ASP 170 Ca 0.26 -0.05 -0.13 0.00 0.18 0.00 0.00 52.55 52.80 2wbe s ASP 170 Cb 0.04 -1.22 0.00 0.00 1.07 0.00 0.00 42.92 42.81 2wbe s ASP 170 CO 0.14 0.30 1.07 -0.62 1.18 0.00 0.00 175.17 177.25 2wbe s ASP 171 N -1.33 5.30 0.27 0.27 2.15 0.45 -4.89 116.67 118.89 2wbe s ASP 171 Ca 0.17 1.80 -0.02 0.00 0.43 0.00 0.00 52.55 54.93 2wbe s ASP 171 Cb -0.11 -2.52 0.38 0.00 -0.30 0.00 0.00 42.92 40.36 2wbe s ASP 171 CO 0.07 -1.50 1.82 -1.28 -0.17 0.00 0.00 175.17 174.11 2wbe h SER 172 N -0.26 0.80 -0.44 -0.34 0.87 -1.99 0.75 113.55 112.95 2wbe h SER 172 Ca -0.45 -0.14 -0.05 0.00 -1.23 0.00 0.00 61.79 59.91 2wbe h SER 172 Cb 1.22 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.95 2wbe h SER 172 CO 0.55 0.78 0.09 0.71 -0.53 0.00 0.00 176.83 178.44 2wbe h THR 173 N 0.83 1.22 0.00 2.23 1.35 -1.95 -3.45 112.91 113.14 2wbe h THR 173 Ca 0.18 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 2wbe h THR 173 Cb 0.29 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 67.45 2wbe h THR 173 CO -0.00 0.31 0.00 1.17 -0.25 0.00 0.00 175.52 176.74 2wbe n LYS 174 N -4.27 0.00 -0.07 4.72 3.00 0.26 -4.54 118.16 117.26 2wbe n LYS 174 Ca 0.03 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.20 2wbe n LYS 174 Cb 0.24 -1.83 -0.05 0.00 0.00 0.00 0.00 35.03 33.39 2wbe n LYS 174 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2wbe h LYS 175 N 0.81 0.78 -0.91 1.64 1.57 -1.87 0.31 116.57 118.90 2wbe h LYS 175 Ca 0.00 -0.50 -0.01 0.00 -1.87 0.00 0.00 60.65 58.27 2wbe h LYS 175 Cb 0.00 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 2wbe h LYS 175 CO 0.00 1.13 0.52 0.78 -0.57 0.00 0.00 179.45 181.31 2wbe h GLY 176 N 0.53 1.34 0.00 3.86 0.00 -1.89 -3.47 103.07 103.44 2wbe h GLY 176 Ca 0.01 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.76 2wbe h GLY 176 CO 0.11 0.56 0.00 -1.14 0.00 0.00 0.00 176.54 176.07 2wbe n SER 177 N -4.34 -0.78 -4.77 0.19 3.41 0.10 -4.74 113.62 102.68 2wbe n SER 177 Ca 0.10 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.30 2wbe n SER 177 Cb 0.08 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.02 2wbe n SER 177 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2wbe s VAL 178 N 0.00 2.17 0.06 -3.33 -7.23 -1.25 -0.41 120.40 110.40 2wbe s VAL 178 Ca 0.00 0.17 -0.00 0.00 -1.81 0.00 0.00 61.98 60.34 2wbe s VAL 178 Cb 0.00 -3.11 -0.04 0.00 0.56 0.00 0.00 36.38 33.79 2wbe s VAL 178 CO 0.00 0.04 -0.04 0.27 -0.31 0.00 0.00 175.10 175.06 2wbe s ILE 179 N -1.00 0.32 -0.26 -0.62 -4.36 0.26 -4.86 121.20 110.67 2wbe s ILE 179 Ca 0.53 -1.73 -0.21 0.00 -0.26 0.00 0.00 60.65 58.98 2wbe s ILE 179 Cb -0.45 -1.41 -0.01 0.00 1.25 0.00 0.00 42.46 41.83 2wbe s ILE 179 CO 0.60 -0.91 0.68 -0.63 0.24 0.00 0.00 174.94 174.92 2wbe s ILE 180 N -3.56 4.94 -0.02 8.37 1.01 -1.26 -0.53 121.20 130.15 2wbe s ILE 180 Ca 0.05 1.19 -0.14 0.00 0.00 0.00 0.00 60.65 61.76 2wbe s ILE 180 Cb 0.05 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 2wbe s ILE 180 CO -0.08 -0.03 0.38 -1.58 0.00 0.00 0.00 174.94 173.63 2wbe s GLN 181 N 2.62 3.87 0.00 2.79 0.74 -0.54 -3.87 119.66 125.27 2wbe s GLN 181 Ca 0.28 0.34 0.00 0.00 0.05 0.00 0.00 55.36 56.03 2wbe s GLN 181 Cb -0.15 -3.22 0.00 0.00 1.10 0.00 0.00 33.01 30.73 2wbe s GLN 181 CO 0.09 0.68 0.00 0.41 -0.55 0.00 0.00 175.29 175.92 2wbe n GLY 182 N 1.89 0.65 3.75 2.59 0.00 -1.26 -4.29 105.19 108.53 2wbe n GLY 182 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 2wbe n GLY 182 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wbe s LEU 183 N 0.00 4.58 0.33 0.99 2.96 -1.25 -4.99 118.68 121.29 2wbe s LEU 183 Ca 0.00 2.12 -0.28 0.00 -0.22 0.00 0.00 54.13 55.75 2wbe s LEU 183 Cb 0.00 -3.62 -0.09 0.00 0.50 0.00 0.00 46.19 42.98 2wbe s LEU 183 CO 0.00 -0.05 1.13 -0.70 -1.32 0.00 0.00 176.35 175.41 2wbe s GLU 184 N -1.17 4.43 -0.11 1.98 2.56 -1.26 -5.01 118.70 120.12 2wbe s GLU 184 Ca 0.44 1.81 0.01 0.00 0.00 0.00 0.00 54.97 57.23 2wbe s GLU 184 Cb -0.29 -2.99 0.02 0.00 2.00 0.00 0.00 34.13 32.87 2wbe s GLU 184 CO 0.37 0.02 -0.12 -1.21 -0.56 0.00 0.00 175.26 173.76 2wbe s GLU 185 N -1.80 1.85 -0.13 4.30 2.02 -1.26 -4.39 118.70 119.30 2wbe s GLU 185 Ca 0.49 -0.41 -0.01 0.00 0.02 0.00 0.00 54.97 55.06 2wbe s GLU 185 Cb -0.31 -1.70 -0.02 0.00 0.10 0.00 0.00 34.13 32.20 2wbe s GLU 185 CO 0.40 -0.15 -0.11 -1.50 0.02 0.00 0.00 175.26 173.92 2wbe s ILE 186 N 1.26 3.22 0.33 -1.63 2.07 0.16 -4.84 121.20 121.77 2wbe s ILE 186 Ca -0.02 -0.61 -0.27 0.00 -1.41 0.00 0.00 60.65 58.34 2wbe s ILE 186 Cb -0.14 -2.36 -0.09 0.00 0.13 0.00 0.00 42.46 40.00 2wbe s ILE 186 CO -0.04 0.52 1.06 -2.84 -1.91 0.00 0.00 174.94 171.74 2wbe s PRO 187 N 0.25 4.46 0.06 3.50 0.02 -1.26 -0.15 135.00 141.87 2wbe s PRO 187 Ca -0.08 1.65 0.03 0.00 0.02 0.00 0.00 61.00 62.62 2wbe s PRO 187 Cb -0.15 -2.92 -0.03 0.00 0.02 0.00 0.00 34.50 31.42 2wbe s PRO 187 CO 0.05 0.09 -0.09 0.14 -0.33 0.00 0.00 177.00 176.85 2wbe s VAL 188 N -1.38 0.70 0.00 3.83 -7.23 -0.38 -4.93 120.40 111.01 2wbe s VAL 188 Ca 0.50 -1.21 0.00 0.00 -1.81 0.00 0.00 61.98 59.45 2wbe s VAL 188 Cb -0.27 -0.82 0.00 0.00 0.56 0.00 0.00 36.38 35.85 2wbe s VAL 188 CO 0.34 -0.39 0.26 1.41 -0.31 0.00 0.00 175.10 176.42 2wbe n HIS 189 N 1.28 0.00 -3.89 2.82 8.25 -1.26 -4.36 115.22 118.06 2wbe n HIS 189 Ca -0.21 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.16 2wbe n HIS 189 Cb 0.55 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.59 2wbe n HIS 189 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2wbe s SER 190 N -0.05 0.15 0.25 0.41 0.15 -1.26 -5.02 113.70 108.32 2wbe s SER 190 Ca 0.00 -0.71 -0.04 0.00 0.70 0.00 0.00 55.95 55.90 2wbe s SER 190 Cb 0.00 0.33 0.30 0.00 -1.71 0.00 0.00 66.02 64.94 2wbe s SER 190 CO 0.00 -0.73 1.80 0.11 1.20 0.00 0.00 173.24 175.62 2wbe h LYS 191 N 2.77 0.98 -0.71 5.44 6.56 -1.96 -2.80 116.57 126.86 2wbe h LYS 191 Ca -0.34 -0.19 0.00 0.00 -1.06 0.00 0.00 60.65 59.06 2wbe h LYS 191 Cb 1.20 -0.15 -0.03 0.00 -0.57 0.00 0.00 32.23 32.67 2wbe h LYS 191 CO 0.56 0.84 0.46 -0.44 -2.06 0.00 0.00 179.45 178.82 2wbe h ASP 192 N 0.95 0.82 0.21 0.86 3.32 -1.97 0.19 116.42 120.80 2wbe h ASP 192 Ca 0.21 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.15 2wbe h ASP 192 Cb 0.27 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2wbe h ASP 192 CO -0.01 0.60 -0.32 -2.24 -1.72 0.00 0.00 179.24 175.56 2wbe h ASP 193 N 0.96 0.17 -0.44 6.45 3.04 -1.91 -0.09 116.42 124.61 2wbe h ASP 193 Ca 0.26 -0.06 -0.06 0.00 -3.24 0.00 0.00 57.03 53.93 2wbe h ASP 193 Cb -0.10 -0.05 -0.02 0.00 -1.04 0.00 0.00 39.33 38.13 2wbe h ASP 193 CO -0.05 0.49 0.03 0.58 -2.04 0.00 0.00 179.24 178.25 2wbe h VAL 194 N 0.15 1.25 -0.82 4.15 2.07 -1.01 -2.21 116.25 119.83 2wbe h VAL 194 Ca 0.02 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 2wbe h VAL 194 Cb 0.64 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 2wbe h VAL 194 CO 0.05 0.33 0.44 1.88 0.02 0.00 0.00 177.57 180.29 2wbe h TYR 195 N 0.59 1.14 -0.93 1.57 -1.99 -0.25 -1.22 116.97 115.89 2wbe h TYR 195 Ca 0.13 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.83 2wbe h TYR 195 Cb 0.44 -0.36 -0.05 0.00 2.00 0.00 0.00 36.73 38.76 2wbe h TYR 195 CO 0.03 0.80 0.58 0.87 -0.00 0.00 0.00 178.16 180.44 2wbe h LYS 196 N 1.15 1.24 -0.52 4.88 1.79 -0.70 0.68 116.57 125.10 2wbe h LYS 196 Ca 0.29 -0.10 -0.03 0.00 -2.18 0.00 0.00 60.65 58.64 2wbe h LYS 196 Cb 0.05 -0.27 -0.02 0.00 -1.58 0.00 0.00 32.23 30.41 2wbe h LYS 196 CO -0.04 0.85 0.22 1.25 -1.08 0.00 0.00 179.45 180.65 2wbe h LEU 197 N 1.27 0.70 -0.60 2.94 6.46 -0.64 0.43 115.31 125.87 2wbe h LEU 197 Ca 0.34 -0.15 -0.02 0.00 -0.12 0.00 0.00 57.88 57.92 2wbe h LEU 197 Cb -0.10 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 39.63 2wbe h LEU 197 CO -0.07 0.66 0.28 0.25 -0.62 0.00 0.00 178.44 178.95 2wbe h LEU 198 N 0.70 0.80 -0.75 2.25 7.12 -0.57 0.61 115.31 125.46 2wbe h LEU 198 Ca 0.18 -0.14 -0.08 0.00 0.13 0.00 0.00 57.88 57.97 2wbe h LEU 198 Cb 0.17 -0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 40.07 2wbe h LEU 198 CO -0.02 0.71 0.06 -0.08 -0.13 0.00 0.00 178.44 178.99 2wbe h GLU 199 N 0.83 1.02 -0.42 1.25 4.81 -0.35 -0.18 114.58 121.54 2wbe h GLU 199 Ca 0.21 -0.28 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2wbe h GLU 199 Cb 0.13 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2wbe h GLU 199 CO -0.02 0.96 0.26 0.87 -0.73 0.00 0.00 179.01 180.35 2wbe h LYS 200 N 0.95 0.57 -0.62 1.92 1.57 0.10 -1.50 116.57 119.56 2wbe h LYS 200 Ca 0.18 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 2wbe h LYS 200 Cb 0.46 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 2wbe h LYS 200 CO 0.02 0.41 0.18 0.78 -0.57 0.00 0.00 179.45 180.26 2wbe h GLY 201 N 0.56 1.06 0.98 3.86 0.00 -0.45 -0.45 103.07 108.64 2wbe h GLY 201 Ca 0.15 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 2wbe h GLY 201 CO -0.03 0.60 0.29 0.50 0.00 0.00 0.00 176.54 177.90 2wbe h LYS 202 N 0.91 0.71 -0.45 4.80 1.79 -0.55 -2.00 116.57 121.77 2wbe h LYS 202 Ca 0.20 -0.08 -0.10 0.00 -2.18 0.00 0.00 60.65 58.49 2wbe h LYS 202 Cb 0.32 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 2wbe h LYS 202 CO -0.00 0.54 -0.10 0.93 -1.08 0.00 0.00 179.45 179.74 2wbe h GLU 203 N 0.68 0.86 0.00 3.15 5.08 -0.98 -3.02 114.58 120.35 2wbe h GLU 203 Ca 0.18 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 2wbe h GLU 203 Cb 0.04 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2wbe h GLU 203 CO -0.03 0.96 -0.22 0.00 -1.00 0.00 0.00 179.01 178.72 2wbe h ARG 204 N 0.70 0.00 -0.08 2.33 3.08 -0.71 -2.58 114.38 117.12 2wbe h ARG 204 Ca 0.11 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 2wbe h ARG 204 Cb 0.64 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 2wbe h ARG 204 CO 0.04 0.22 -0.04 -0.09 -1.07 0.00 0.00 179.97 179.03 2wbe h ARG 205 N 0.00 0.11 0.00 0.04 2.43 -1.23 -0.94 114.38 114.79 2wbe h ARG 205 Ca -0.00 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 2wbe h ARG 205 Cb 0.47 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 2wbe h ARG 205 CO 0.03 0.16 -0.20 0.87 -1.51 0.00 0.00 179.97 179.32 2wbe h LYS 206 N 0.11 0.00 -6.56 0.20 1.57 -1.59 -3.39 116.57 106.90 2wbe h LYS 206 Ca 0.03 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.27 2wbe h LYS 206 Cb 0.15 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.51 2wbe h LYS 206 CO 0.01 0.20 1.05 2.41 -0.57 0.00 0.00 179.45 182.55 2wbe n THR 207 N -4.25 0.21 -1.46 -0.16 -1.04 -0.36 -0.14 114.28 107.08 2wbe n THR 207 Ca -0.02 -0.04 -0.16 0.00 -2.04 0.00 0.00 64.05 61.79 2wbe n THR 207 Cb 0.26 -2.03 -0.07 0.00 -1.82 0.00 0.00 70.33 66.68 2wbe n THR 207 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wbe n ALA 208 N 4.88 -0.24 0.36 2.41 0.00 -1.26 -4.91 120.51 121.74 2wbe n ALA 208 Ca 0.17 0.26 -0.14 0.00 0.00 0.00 0.00 53.44 53.73 2wbe n ALA 208 Cb 0.36 -1.73 -0.07 0.00 0.00 0.00 0.00 19.45 18.01 2wbe n ALA 208 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2wbe h THR 209 N 0.00 0.00 0.00 0.00 2.02 -0.74 -3.46 112.91 110.73 2wbe h THR 209 Ca -0.32 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.63 2wbe h THR 209 Cb 1.08 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 2wbe h THR 209 CO 0.47 0.00 0.00 0.41 0.37 0.00 0.00 175.52 176.77 2wbe n THR 210 N -5.15 0.00 -3.01 3.16 -1.04 -1.26 -4.83 114.28 102.15 2wbe n THR 210 Ca -0.12 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 61.92 2wbe n THR 210 Cb 0.37 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.88 2wbe n THR 210 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2wbe s LEU 211 N 0.00 -0.79 0.14 -4.42 1.43 -1.26 -5.05 118.68 108.73 2wbe s LEU 211 Ca 0.00 -0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 52.76 2wbe s LEU 211 Cb 0.00 1.18 -0.01 0.00 0.03 0.00 0.00 46.19 47.39 2wbe s LEU 211 CO 0.00 -0.11 1.55 0.24 0.23 0.00 0.00 176.35 178.26 2wbe h MET 212 N 6.53 0.89 -0.04 1.70 2.86 -1.96 0.18 114.93 125.10 2wbe h MET 212 Ca -0.03 -0.35 -0.00 0.00 -2.06 0.00 0.00 59.70 57.26 2wbe h MET 212 Cb 1.20 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.82 2wbe h MET 212 CO -0.01 1.00 0.02 -0.91 1.06 0.00 0.00 176.91 178.07 2wbe h ASN 213 N 0.73 0.04 -0.46 1.22 4.21 -2.00 -0.23 115.58 119.09 2wbe h ASN 213 Ca 0.11 -0.09 -0.09 0.00 1.21 0.00 0.00 56.30 57.45 2wbe h ASN 213 Cb 0.68 -0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 37.86 2wbe h ASN 213 CO 0.05 0.12 -0.04 0.00 -1.29 0.00 0.00 177.43 176.27 2wbe h ALA 214 N 0.93 0.63 -0.26 -0.83 0.00 -1.98 -2.99 119.26 114.76 2wbe h ALA 214 Ca 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2wbe h ALA 214 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2wbe h ALA 214 CO -0.00 0.47 0.13 0.37 0.00 0.00 0.00 179.25 180.22 2wbe h GLN 215 N 0.69 0.37 -0.31 0.00 5.75 -0.26 -2.17 115.11 119.20 2wbe h GLN 215 Ca 0.13 -0.05 -0.09 0.00 -0.15 0.00 0.00 58.65 58.48 2wbe h GLN 215 Cb 0.57 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.03 2wbe h GLN 215 CO 0.03 0.36 -0.21 0.66 -2.65 0.00 0.00 178.83 177.03 2wbe h SER 216 N 0.29 0.57 0.11 -0.69 4.64 -1.07 -0.85 113.55 116.55 2wbe h SER 216 Ca 0.09 -0.18 -0.10 0.00 -0.47 0.00 0.00 61.79 61.13 2wbe h SER 216 Cb 0.11 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 2wbe h SER 216 CO -0.01 0.78 -0.32 0.77 -0.87 0.00 0.00 176.83 177.18 2wbe h SER 217 N 0.51 0.33 1.47 4.97 4.64 -1.30 -2.84 113.55 121.33 2wbe h SER 217 Ca 0.08 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2wbe h SER 217 Cb 0.64 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2wbe h SER 217 CO 0.05 0.64 -0.21 0.03 -0.87 0.00 0.00 176.83 176.47 2wbe h ARG 218 N 0.28 0.00 -5.90 4.77 2.47 -0.91 0.25 114.38 115.33 2wbe h ARG 218 Ca 0.04 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 58.15 2wbe h ARG 218 Cb 0.71 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 28.92 2wbe h ARG 218 CO 0.05 0.00 -0.62 -1.54 0.56 0.00 0.00 179.97 178.43 2wbe s SER 219 N -5.03 4.02 -0.08 7.04 1.04 -0.37 -4.75 113.70 115.57 2wbe s SER 219 Ca 0.08 -1.14 -0.01 0.00 0.48 0.00 0.00 55.95 55.36 2wbe s SER 219 Cb 0.10 -0.45 -0.03 0.00 0.10 0.00 0.00 66.02 65.74 2wbe s SER 219 CO 0.66 -0.31 -0.04 -1.00 0.98 0.00 0.00 173.24 173.53 2wbe s HIS 220 N -2.59 3.04 -0.09 5.02 3.76 -0.11 -3.39 115.29 120.93 2wbe s HIS 220 Ca 0.35 0.09 0.04 0.00 -0.15 0.00 0.00 55.06 55.39 2wbe s HIS 220 Cb 0.03 -1.76 -0.00 0.00 1.11 0.00 0.00 32.58 31.96 2wbe s HIS 220 CO 0.19 0.38 -0.23 0.95 -0.85 0.00 0.00 174.74 175.17 2wbe s THR 221 N -0.79 2.17 -0.12 1.30 -4.23 -0.52 -0.78 115.64 112.68 2wbe s THR 221 Ca 0.12 -0.99 0.02 0.00 -1.18 0.00 0.00 61.69 59.66 2wbe s THR 221 Cb -0.11 -1.82 0.01 0.00 1.34 0.00 0.00 72.50 71.91 2wbe s THR 221 CO 0.02 0.56 -0.18 0.54 -0.54 0.00 0.00 174.62 175.02 2wbe s VAL 222 N 0.21 1.71 -0.20 2.29 0.11 -0.19 -1.23 120.40 123.11 2wbe s VAL 222 Ca -0.14 -0.78 -0.04 0.00 -2.93 0.00 0.00 61.98 58.09 2wbe s VAL 222 Cb -0.17 -1.54 -0.02 0.00 -1.53 0.00 0.00 36.38 33.13 2wbe s VAL 222 CO 0.07 0.48 -0.03 0.12 -3.33 0.00 0.00 175.10 172.42 2wbe s PHE 223 N 0.87 2.99 -0.03 1.54 5.36 -0.33 -2.04 117.98 126.34 2wbe s PHE 223 Ca -0.08 -0.64 0.07 0.00 -0.96 0.00 0.00 56.93 55.32 2wbe s PHE 223 Cb -0.15 -2.06 -0.02 0.00 -0.34 0.00 0.00 43.02 40.45 2wbe s PHE 223 CO -0.01 -0.34 -0.23 0.45 -1.46 0.00 0.00 175.22 173.63 2wbe s SER 224 N 1.09 2.75 -0.13 6.13 0.15 -0.48 -0.69 113.70 122.51 2wbe s SER 224 Ca 0.02 -0.43 0.01 0.00 0.70 0.00 0.00 55.95 56.25 2wbe s SER 224 Cb -0.15 -0.40 0.02 0.00 -1.71 0.00 0.00 66.02 63.78 2wbe s SER 224 CO 0.00 0.27 -0.16 -0.63 1.20 0.00 0.00 173.24 173.93 2wbe s ILE 225 N -0.46 1.62 -0.19 6.45 1.01 -0.42 -1.39 121.20 127.83 2wbe s ILE 225 Ca 0.06 -0.69 -0.07 0.00 0.00 0.00 0.00 60.65 59.95 2wbe s ILE 225 Cb -0.10 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.84 2wbe s ILE 225 CO -0.00 0.47 0.07 -0.69 0.00 0.00 0.00 174.94 174.78 2wbe s VAL 226 N 1.23 4.77 -0.14 2.92 1.01 -0.11 -0.84 120.40 129.23 2wbe s VAL 226 Ca -0.00 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2wbe s VAL 226 Cb -0.14 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.09 2wbe s VAL 226 CO -0.07 0.45 -0.20 0.68 0.00 0.00 0.00 175.10 175.96 2wbe s VAL 227 N 0.50 2.25 0.00 2.92 -7.23 -0.42 -2.10 120.40 116.31 2wbe s VAL 227 Ca 0.03 -0.92 0.06 0.00 -1.81 0.00 0.00 61.98 59.35 2wbe s VAL 227 Cb -0.13 -1.91 -0.02 0.00 0.56 0.00 0.00 36.38 34.89 2wbe s VAL 227 CO 0.01 0.54 -0.20 -1.00 -0.31 0.00 0.00 175.10 174.14 2wbe s HIS 228 N 0.74 1.77 0.02 2.82 3.76 -0.24 -1.39 115.29 122.76 2wbe s HIS 228 Ca -0.08 -0.34 -0.22 0.00 -0.15 0.00 0.00 55.06 54.26 2wbe s HIS 228 Cb -0.16 -1.12 0.05 0.00 1.11 0.00 0.00 32.58 32.46 2wbe s HIS 228 CO 0.00 0.00 0.51 0.96 -0.85 0.00 0.00 174.74 175.36 2wbe s ILE 229 N -0.56 0.03 -1.32 0.60 -0.00 -1.07 -0.33 121.20 118.55 2wbe s ILE 229 Ca 0.07 -0.26 -0.07 0.00 -0.00 0.00 0.00 60.65 60.40 2wbe s ILE 229 Cb -0.08 -0.92 0.13 0.00 -0.00 0.00 0.00 42.46 41.59 2wbe s ILE 229 CO -0.00 -0.14 2.20 0.54 -0.00 0.00 0.00 174.94 177.54 2wbe n ARG 230 N 0.67 4.14 -2.23 0.37 5.12 -0.45 -2.86 116.66 121.43 2wbe n ARG 230 Ca -0.19 -3.43 -0.42 0.00 -1.93 0.00 0.00 57.85 51.88 2wbe n ARG 230 Cb 0.59 -2.76 -0.03 0.00 -1.16 0.00 0.00 32.46 29.09 2wbe n ARG 230 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2wbe s GLU 231 N -0.35 4.34 -1.34 5.56 0.41 -1.26 -2.09 118.70 123.97 2wbe s GLU 231 Ca 0.49 2.00 -0.04 0.00 -0.41 0.00 0.00 54.97 57.00 2wbe s GLU 231 Cb 0.15 -3.29 0.02 0.00 -1.78 0.00 0.00 34.13 29.23 2wbe s GLU 231 CO -0.05 -0.40 0.90 0.09 -0.49 0.00 0.00 175.26 175.30 2wbe n ASN 232 N 4.02 -2.87 -1.42 -0.19 5.03 -1.26 -2.45 115.26 116.11 2wbe n ASN 232 Ca 0.11 -0.73 -0.01 0.00 0.87 0.00 0.00 54.58 54.83 2wbe n ASN 232 Cb 0.43 -4.39 -0.01 0.00 -1.02 0.00 0.00 39.78 34.79 2wbe n ASN 232 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wbe n GLY 233 N -1.57 0.89 0.19 7.41 0.00 -0.89 -4.58 105.19 106.64 2wbe n GLY 233 Ca -0.18 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 2wbe n GLY 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2wbe h ILE 234 N 6.09 0.70 0.00 -0.61 2.10 -1.83 0.21 117.51 124.17 2wbe h ILE 234 Ca -0.36 -0.64 -0.04 0.00 1.08 0.00 0.00 64.86 64.90 2wbe h ILE 234 Cb 1.67 1.02 0.00 0.00 -1.09 0.00 0.00 36.82 38.41 2wbe h ILE 234 CO -0.05 0.12 -0.14 -0.33 -1.08 0.00 0.00 178.15 176.67 2wbe h GLU 235 N -0.77 0.09 -0.29 2.19 4.39 -1.96 -3.34 114.58 114.89 2wbe h GLU 235 Ca -0.04 -0.10 -0.08 0.00 0.34 0.00 0.00 59.36 59.48 2wbe h GLU 235 Cb 0.51 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 2wbe h GLU 235 CO 0.07 0.88 -0.17 0.78 -1.16 0.00 0.00 179.01 179.42 2wbe h GLY 236 N -0.66 0.54 -0.14 -3.84 0.00 -1.89 -3.46 103.07 93.62 2wbe h GLY 236 Ca -0.02 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 2wbe h GLY 236 CO 0.03 0.37 -0.06 1.18 0.00 0.00 0.00 176.54 178.06 2wbe n GLU 237 N -4.17 -0.57 -3.06 4.80 -0.58 0.75 -5.00 120.64 112.80 2wbe n GLU 237 Ca 0.00 0.42 -0.37 0.00 -0.42 0.00 0.00 57.16 56.79 2wbe n GLU 237 Cb 0.35 -4.04 -0.06 0.00 -0.57 0.00 0.00 31.44 27.12 2wbe n GLU 237 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2wbe s ASP 238 N -2.41 7.18 0.06 1.62 1.01 -1.25 -4.53 116.67 118.36 2wbe s ASP 238 Ca 0.00 1.50 0.06 0.00 0.71 0.00 0.00 52.55 54.81 2wbe s ASP 238 Cb 0.00 -2.45 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 2wbe s ASP 238 CO 0.00 0.11 -0.10 0.00 0.21 0.00 0.00 175.17 175.39 2wbe s MET 239 N -1.63 2.27 0.00 8.23 0.23 -1.18 -3.09 119.30 124.14 2wbe s MET 239 Ca 0.40 -0.91 0.00 0.00 -1.03 0.00 0.00 55.69 54.15 2wbe s MET 239 Cb -0.19 -2.36 0.00 0.00 -1.53 0.00 0.00 34.83 30.75 2wbe s MET 239 CO 0.23 0.55 0.00 1.28 -2.03 0.00 0.00 175.02 175.04 2wbe n LEU 240 N 1.13 0.00 0.00 0.18 4.77 -1.03 -3.10 117.00 118.95 2wbe n LEU 240 Ca -0.14 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.64 2wbe n LEU 240 Cb 0.52 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 2wbe n LEU 240 CO 0.31 0.00 -0.12 0.29 -1.33 0.00 0.00 177.39 176.54 2wbe n LYS 241 N 0.00 0.58 -3.78 3.23 4.01 -1.24 -3.32 118.16 117.63 2wbe n LYS 241 Ca 0.00 -2.80 -0.37 0.00 -0.51 0.00 0.00 58.31 54.63 2wbe n LYS 241 Cb 0.00 1.68 -0.13 0.00 -0.51 0.00 0.00 35.03 36.07 2wbe n LYS 241 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 2wbe s ILE 242 N -2.86 3.86 -0.03 -0.18 -4.36 -1.13 -2.59 121.20 113.90 2wbe s ILE 242 Ca 0.20 -0.70 0.05 0.00 -0.26 0.00 0.00 60.65 59.94 2wbe s ILE 242 Cb 0.01 -2.98 -0.01 0.00 1.25 0.00 0.00 42.46 40.74 2wbe s ILE 242 CO 0.14 0.11 -0.18 -0.83 0.24 0.00 0.00 174.94 174.42 2wbe s GLY 243 N 1.49 0.95 -0.16 6.27 0.00 -0.49 -4.65 107.32 110.73 2wbe s GLY 243 Ca 0.03 -0.77 -0.05 0.00 0.00 0.00 0.00 44.72 43.92 2wbe s GLY 243 CO 0.02 -0.50 0.02 0.54 0.00 0.00 0.00 173.10 173.17 2wbe s LYS 244 N -0.16 3.75 -0.27 2.90 1.02 -1.26 -1.30 119.74 124.42 2wbe s LYS 244 Ca 0.01 -0.42 -0.01 0.00 0.02 0.00 0.00 55.97 55.57 2wbe s LYS 244 Cb -0.10 -3.05 0.04 0.00 -0.52 0.00 0.00 37.83 34.20 2wbe s LYS 244 CO 0.01 0.31 -0.05 -1.17 -0.92 0.00 0.00 175.35 173.53 2wbe s LEU 245 N 0.22 3.44 -0.17 3.17 2.96 -0.02 -1.17 118.68 127.10 2wbe s LEU 245 Ca 0.01 -1.08 -0.06 0.00 -0.22 0.00 0.00 54.13 52.78 2wbe s LEU 245 Cb -0.13 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 2wbe s LEU 245 CO 0.02 -0.18 0.04 0.20 -1.32 0.00 0.00 176.35 175.10 2wbe s ASN 246 N 1.27 5.44 -0.26 3.68 -0.87 -0.55 -1.30 114.94 122.35 2wbe s ASN 246 Ca -0.03 0.05 -0.01 0.00 -1.57 0.00 0.00 52.86 51.30 2wbe s ASN 246 Cb -0.18 -1.90 0.04 0.00 -0.02 0.00 0.00 41.25 39.19 2wbe s ASN 246 CO -0.04 0.19 -0.07 -0.76 -2.57 0.00 0.00 177.10 173.86 2wbe s LEU 247 N 0.25 3.29 -0.05 0.60 2.01 0.13 -1.01 118.68 123.90 2wbe s LEU 247 Ca 0.02 -1.02 0.06 0.00 0.01 0.00 0.00 54.13 53.20 2wbe s LEU 247 Cb -0.13 -1.64 -0.01 0.00 0.01 0.00 0.00 46.19 44.43 2wbe s LEU 247 CO 0.01 -0.15 -0.23 -0.69 1.01 0.00 0.00 176.35 176.29 2wbe s VAL 248 N 1.27 1.90 -0.43 -1.59 1.01 0.24 -1.18 120.40 121.61 2wbe s VAL 248 Ca -0.02 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 60.95 2wbe s VAL 248 Cb -0.18 -1.61 0.12 0.00 0.00 0.00 0.00 36.38 34.71 2wbe s VAL 248 CO -0.05 0.53 0.22 -0.62 0.00 0.00 0.00 175.10 175.19 2wbe s ASP 249 N -0.13 5.20 0.81 3.32 -1.08 -0.36 -1.02 116.67 123.40 2wbe s ASP 249 Ca -0.03 -2.17 -0.11 0.00 -0.52 0.00 0.00 52.55 49.72 2wbe s ASP 249 Cb -0.13 -1.81 0.08 0.00 -1.46 0.00 0.00 42.92 39.59 2wbe s ASP 249 CO 0.03 -0.50 1.09 -0.76 0.52 0.00 0.00 175.17 175.55 2wbe s LEU 250 N 0.94 2.58 0.83 -1.34 1.43 -1.12 -1.43 118.68 120.57 2wbe s LEU 250 Ca 0.10 1.40 -0.11 0.00 -1.03 0.00 0.00 54.13 54.48 2wbe s LEU 250 Cb -0.22 -3.99 0.09 0.00 0.03 0.00 0.00 46.19 42.10 2wbe s LEU 250 CO -0.04 -2.09 1.09 0.00 0.23 0.00 0.00 176.35 175.54 2wbe s ALA 251 N -3.08 1.98 0.52 4.21 0.00 -1.22 -4.85 121.76 119.32 2wbe s ALA 251 Ca 0.61 -0.13 -0.22 0.00 0.00 0.00 0.00 51.96 52.22 2wbe s ALA 251 Cb -0.15 -3.15 -0.06 0.00 0.00 0.00 0.00 23.12 19.76 2wbe s ALA 251 CO 0.55 -1.97 1.28 0.20 0.00 0.00 0.00 175.76 175.82 2wbe s GLY 252 N -3.69 2.84 -0.77 0.00 0.00 0.88 -4.69 107.32 101.88 2wbe s GLY 252 Ca 0.62 1.18 -0.19 0.00 0.00 0.00 0.00 44.72 46.33 2wbe s GLY 252 CO 0.55 1.67 0.92 -1.35 0.00 0.00 0.00 173.10 174.89 2wbe s SER 253 N -1.13 6.45 0.00 1.64 1.04 -0.94 -4.88 113.70 115.88 2wbe s SER 253 Ca 0.69 -1.81 0.00 0.00 0.48 0.00 0.00 55.95 55.31 2wbe s SER 253 Cb -0.36 -2.34 0.00 0.00 0.10 0.00 0.00 66.02 63.42 2wbe s SER 253 CO 0.42 -1.06 0.00 0.59 0.98 0.00 0.00 173.24 174.18 2wbe n ASN 274 N 6.25 -1.23 -0.25 7.02 3.02 -1.26 -4.87 115.26 123.93 2wbe n ASN 274 Ca 0.08 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.69 2wbe n ASN 274 Cb 0.46 -0.52 0.30 0.00 -0.61 0.00 0.00 39.78 39.41 2wbe n ASN 274 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 2wbe h GLN 275 N 0.00 0.85 -0.63 3.52 4.15 -2.00 -2.32 115.11 118.68 2wbe h GLN 275 Ca 0.00 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 2wbe h GLN 275 Cb 0.00 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.47 2wbe h GLN 275 CO 0.00 0.56 0.35 0.66 -1.93 0.00 0.00 178.83 178.48 2wbe h SER 276 N 0.87 0.78 1.10 -0.69 4.64 -1.98 -0.30 113.55 117.98 2wbe h SER 276 Ca 0.37 -0.09 -0.15 0.00 -0.47 0.00 0.00 61.79 61.46 2wbe h SER 276 Cb 0.31 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 2wbe h SER 276 CO -0.14 0.64 -0.71 0.25 -0.87 0.00 0.00 176.83 176.00 2wbe h LEU 277 N 0.86 0.00 -0.59 5.97 5.85 -1.81 0.86 115.31 126.45 2wbe h LEU 277 Ca 0.22 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.83 2wbe h LEU 277 Cb 0.03 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2wbe h LEU 277 CO -0.04 0.71 -0.13 0.25 -0.34 0.00 0.00 178.44 178.89 2wbe h LEU 278 N 0.00 0.99 -0.89 2.25 5.85 -1.41 -0.78 115.31 121.32 2wbe h LEU 278 Ca -0.01 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.33 2wbe h LEU 278 Cb 1.45 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 2wbe h LEU 278 CO 0.09 1.11 0.21 0.00 -0.34 0.00 0.00 178.44 179.52 2wbe h THR 279 N 0.87 1.25 -0.83 1.05 1.03 -0.79 0.10 112.91 115.59 2wbe h THR 279 Ca 0.13 -0.85 -0.03 0.00 -0.01 0.00 0.00 66.41 65.66 2wbe h THR 279 Cb 0.69 0.50 -0.04 0.00 -1.07 0.00 0.00 68.15 68.23 2wbe h THR 279 CO 0.05 0.33 0.41 0.25 -0.01 0.00 0.00 175.52 176.55 2wbe h LEU 280 N 1.00 1.08 -0.64 0.00 5.85 -0.60 0.20 115.31 122.20 2wbe h LEU 280 Ca 0.22 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 2wbe h LEU 280 Cb 0.28 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2wbe h LEU 280 CO -0.01 0.90 0.25 1.23 -0.34 0.00 0.00 178.44 180.47 2wbe h GLY 281 N 1.17 1.03 1.00 3.75 0.00 0.04 -1.49 103.07 108.57 2wbe h GLY 281 Ca 0.29 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 2wbe h GLY 281 CO -0.04 0.53 0.08 3.21 0.00 0.00 0.00 176.54 180.33 2wbe h ARG 282 N 0.90 0.88 -0.73 4.80 2.47 0.19 -1.21 114.38 121.69 2wbe h ARG 282 Ca 0.21 -0.24 -0.05 0.00 -1.26 0.00 0.00 59.98 58.64 2wbe h ARG 282 Cb 0.21 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.40 2wbe h ARG 282 CO -0.02 0.86 0.26 0.28 0.56 0.00 0.00 179.97 181.91 2wbe h VAL 283 N 0.77 1.26 -0.52 2.04 2.07 -0.37 0.19 116.25 121.69 2wbe h VAL 283 Ca 0.16 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 2wbe h VAL 283 Cb 0.41 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 2wbe h VAL 283 CO 0.01 0.34 0.24 0.40 0.02 0.00 0.00 177.57 178.59 2wbe h ILE 284 N 1.07 1.20 -0.51 4.57 1.08 -0.95 -1.38 117.51 122.59 2wbe h ILE 284 Ca 0.24 -0.58 -0.05 0.00 -0.39 0.00 0.00 64.86 64.08 2wbe h ILE 284 Cb 0.27 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 34.61 2wbe h ILE 284 CO -0.01 0.23 0.13 0.71 -0.69 0.00 0.00 178.15 178.51 2wbe h THR 285 N 0.70 1.24 -0.48 -0.27 1.35 -0.69 -0.11 112.91 114.64 2wbe h THR 285 Ca 0.18 -0.84 -0.01 0.00 -0.55 0.00 0.00 66.41 65.18 2wbe h THR 285 Cb 0.13 0.81 -0.02 0.00 -1.73 0.00 0.00 68.15 67.34 2wbe h THR 285 CO -0.02 0.31 0.26 0.00 -0.25 0.00 0.00 175.52 175.81 2wbe h ALA 286 N 1.00 0.62 -0.67 6.62 0.00 -0.63 0.16 119.26 126.36 2wbe h ALA 286 Ca 0.16 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2wbe h ALA 286 Cb 0.33 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2wbe h ALA 286 CO 0.00 0.16 0.22 -0.07 0.00 0.00 0.00 179.25 179.56 2wbe h LEU 287 N 0.64 0.97 -0.35 0.00 3.38 -1.03 0.21 115.31 119.13 2wbe h LEU 287 Ca 0.17 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2wbe h LEU 287 Cb 0.07 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2wbe h LEU 287 CO -0.03 0.91 0.17 0.58 0.09 0.00 0.00 178.44 180.16 2wbe h VAL 288 N 0.97 1.16 0.21 1.22 2.07 -0.27 -3.18 116.25 118.44 2wbe h VAL 288 Ca 0.22 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 2wbe h VAL 288 Cb 0.28 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2wbe h VAL 288 CO -0.01 0.17 -0.10 0.44 0.02 0.00 0.00 177.57 178.09 2wbe h ASP 289 N 0.43 -0.24 0.00 0.57 3.32 -0.28 -3.48 116.42 116.73 2wbe h ASP 289 Ca 0.12 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.93 2wbe h ASP 289 Cb 0.12 0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2wbe h ASP 289 CO -0.02 0.14 0.00 -1.14 -1.72 0.00 0.00 179.24 176.51 2wbe n ARG 290 N -5.05 0.00 -0.21 3.56 0.63 0.69 -5.09 116.66 111.19 2wbe n ARG 290 Ca -0.09 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.75 2wbe n ARG 290 Cb 0.24 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.18 2wbe n ARG 290 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wbe h ALA 291 N 0.00 0.78 -0.96 5.13 0.00 -1.78 -3.39 119.26 119.05 2wbe h ALA 291 Ca 0.00 -0.25 0.16 0.00 0.00 0.00 0.00 54.91 54.82 2wbe h ALA 291 Cb 0.00 -0.22 -0.17 0.00 0.00 0.00 0.00 17.79 17.40 2wbe h ALA 291 CO 0.00 0.53 -0.34 -1.00 0.00 0.00 0.00 179.25 178.45 2wbe h PRO 292 N 0.87 -0.01 -5.14 0.00 0.13 -1.98 -3.37 132.00 122.51 2wbe h PRO 292 Ca 0.18 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.64 2wbe h PRO 292 Cb 0.42 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.23 2wbe h PRO 292 CO 0.01 -0.01 -0.83 -1.58 -0.23 0.00 0.00 178.00 175.36 2wbe s HIS 293 N -6.06 2.76 -0.02 1.56 5.65 -1.26 -5.08 115.29 112.85 2wbe s HIS 293 Ca -0.14 -1.31 0.02 0.00 0.25 0.00 0.00 55.06 53.87 2wbe s HIS 293 Cb 0.22 -1.90 0.01 0.00 -1.18 0.00 0.00 32.58 29.73 2wbe s HIS 293 CO 0.73 -0.63 -0.05 0.54 -0.65 0.00 0.00 174.74 174.68 2wbe s VAL 294 N 1.02 0.48 0.00 0.89 0.11 -1.26 -4.85 120.40 116.80 2wbe s VAL 294 Ca -0.02 -0.20 0.00 0.00 -2.93 0.00 0.00 61.98 58.83 2wbe s VAL 294 Cb -0.15 -0.45 0.00 0.00 -1.53 0.00 0.00 36.38 34.25 2wbe s VAL 294 CO -0.05 0.17 1.27 -0.81 -3.33 0.00 0.00 175.10 172.34 2wbe n PRO 295 N 3.33 0.84 -0.33 1.54 -0.04 -1.26 -4.63 135.00 134.45 2wbe n PRO 295 Ca -0.18 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.31 2wbe n PRO 295 Cb 0.55 -1.08 0.17 0.00 -0.04 0.00 0.00 33.50 33.11 2wbe n PRO 295 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2wbe h TYR 296 N 0.90 1.06 0.00 0.54 0.05 -1.93 -1.96 116.97 115.63 2wbe h TYR 296 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 2wbe h TYR 296 Cb 0.84 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 38.24 2wbe h TYR 296 CO 0.14 0.50 0.00 0.07 -1.05 0.00 0.00 178.16 177.82 2wbe h ARG 297 N 1.01 0.00 -0.41 4.88 0.11 -1.90 -2.98 114.38 115.09 2wbe h ARG 297 Ca 0.42 0.00 0.11 0.00 0.10 0.00 0.00 59.98 60.61 2wbe h ARG 297 Cb 0.26 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.32 2wbe h ARG 297 CO -0.20 0.00 0.29 1.49 0.10 0.00 0.00 179.97 181.65 2wbe h GLU 298 N 0.00 0.03 -3.86 0.08 4.57 -1.74 -3.43 114.58 110.23 2wbe h GLU 298 Ca 0.00 -0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.05 2wbe h GLU 298 Cb 0.25 -0.01 -0.17 0.00 -0.16 0.00 0.00 28.75 28.66 2wbe h GLU 298 CO 0.00 0.02 -0.54 0.45 -1.18 0.00 0.00 179.01 177.75 2wbe s SER 299 N -6.42 0.21 0.24 1.04 0.15 -1.15 -4.95 113.70 102.83 2wbe s SER 299 Ca -0.05 -0.59 -0.02 0.00 0.70 0.00 0.00 55.95 55.99 2wbe s SER 299 Cb 0.19 0.22 0.28 0.00 -1.71 0.00 0.00 66.02 65.00 2wbe s SER 299 CO 0.72 -0.52 1.69 0.11 1.20 0.00 0.00 173.24 176.44 2wbe h LYS 300 N 3.62 0.71 -0.29 5.44 1.79 -1.84 -1.28 116.57 124.71 2wbe h LYS 300 Ca -0.33 -0.25 -0.00 0.00 -2.18 0.00 0.00 60.65 57.89 2wbe h LYS 300 Cb 1.18 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.77 2wbe h LYS 300 CO 0.52 0.84 0.17 1.25 -1.08 0.00 0.00 179.45 181.15 2wbe h LEU 301 N 0.63 0.35 -0.84 2.94 6.46 -1.95 0.89 115.31 123.79 2wbe h LEU 301 Ca 0.10 -0.06 -0.09 0.00 -0.12 0.00 0.00 57.88 57.71 2wbe h LEU 301 Cb 0.64 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.46 2wbe h LEU 301 CO 0.04 0.31 -0.15 0.74 -0.62 0.00 0.00 178.44 178.76 2wbe h THR 302 N 0.37 1.26 -0.42 1.05 2.02 -1.72 -0.72 112.91 114.75 2wbe h THR 302 Ca 0.10 -1.20 -0.06 0.00 0.77 0.00 0.00 66.41 66.03 2wbe h THR 302 Cb 0.02 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 2wbe h THR 302 CO -0.02 0.40 0.02 -0.09 0.37 0.00 0.00 175.52 176.20 2wbe h ARG 303 N 0.62 0.72 -0.37 6.66 9.65 -0.50 -0.21 114.38 130.96 2wbe h ARG 303 Ca 0.10 -0.22 -0.04 0.00 -1.10 0.00 0.00 59.98 58.72 2wbe h ARG 303 Cb 0.62 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 2wbe h ARG 303 CO 0.04 0.79 0.06 -0.07 2.80 0.00 0.00 179.97 183.59 2wbe h LEU 304 N 0.56 0.58 0.00 3.80 3.38 -0.47 -2.31 115.31 120.86 2wbe h LEU 304 Ca 0.12 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2wbe h LEU 304 Cb 0.45 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2wbe h LEU 304 CO 0.02 0.69 0.00 0.18 0.09 0.00 0.00 178.44 179.42 2wbe n LEU 305 N -4.56 0.00 -0.21 1.67 4.77 -0.31 -4.26 117.00 114.10 2wbe n LEU 305 Ca -0.01 0.14 0.01 0.00 -0.03 0.00 0.00 56.01 56.12 2wbe n LEU 305 Cb 0.22 -0.14 0.12 0.00 -2.33 0.00 0.00 43.42 41.30 2wbe n LEU 305 CO 0.39 -0.03 0.94 -0.61 -1.33 0.00 0.00 177.39 176.75 2wbe h GLN 306 N 0.00 0.30 -0.16 3.23 4.15 -0.43 0.76 115.11 122.96 2wbe h GLN 306 Ca 0.00 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.32 2wbe h GLN 306 Cb 0.11 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 2wbe h GLN 306 CO 0.00 0.20 -0.24 1.05 -1.93 0.00 0.00 178.83 177.90 2wbe h GLU 307 N 0.31 0.30 -0.38 1.69 -0.00 -1.81 -2.57 114.58 112.11 2wbe h GLU 307 Ca 0.33 -0.10 -0.06 0.00 -0.00 0.00 0.00 59.36 59.53 2wbe h GLU 307 Cb 0.48 -0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 29.19 2wbe h GLU 307 CO -0.39 0.53 0.02 0.77 -0.00 0.00 0.00 179.01 179.94 2wbe h SER 308 N 0.27 0.65 -0.06 3.06 0.02 -1.20 0.56 113.55 116.85 2wbe h SER 308 Ca 0.04 -0.30 -0.03 0.00 -0.84 0.00 0.00 61.79 60.67 2wbe h SER 308 Cb 0.58 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 2wbe h SER 308 CO 0.04 0.79 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.38 2wbe h LEU 309 N 0.50 0.17 -2.06 5.07 4.07 -0.94 -3.39 115.31 118.71 2wbe h LEU 309 Ca 0.11 -0.48 0.00 0.00 0.08 0.00 0.00 57.88 57.59 2wbe h LEU 309 Cb 0.44 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.14 2wbe h LEU 309 CO 0.02 0.61 -0.35 0.61 -1.08 0.00 0.00 178.44 178.25 2wbe n GLY 310 N 0.21 0.83 0.00 0.83 0.00 -0.99 -4.84 105.19 101.23 2wbe n GLY 310 Ca -0.07 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2wbe n GLY 310 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wbe n GLY 311 N -0.24 2.56 3.32 -0.02 0.00 0.19 -4.68 105.19 106.33 2wbe n GLY 311 Ca 0.02 -1.88 -0.44 0.00 0.00 0.00 0.00 46.02 43.73 2wbe n GLY 311 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wbe n ARG 312 N 0.00 3.51 -3.51 1.61 1.74 -1.22 -3.21 116.66 115.58 2wbe n ARG 312 Ca 0.00 -3.98 -0.15 0.00 -0.77 0.00 0.00 57.85 52.95 2wbe n ARG 312 Cb 0.00 -2.88 -0.05 0.00 -1.02 0.00 0.00 32.46 28.51 2wbe n ARG 312 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2wbe s THR 313 N 0.50 0.01 -0.34 0.55 -1.32 -1.26 -4.46 115.64 109.33 2wbe s THR 313 Ca 0.39 -0.06 -0.14 0.00 -1.21 0.00 0.00 61.69 60.68 2wbe s THR 313 Cb -0.02 -0.99 -0.02 0.00 -1.51 0.00 0.00 72.50 69.96 2wbe s THR 313 CO -0.01 -0.03 0.28 -0.54 -2.21 0.00 0.00 174.62 172.11 2wbe s LYS 314 N -2.14 3.53 -0.01 7.08 1.02 -0.47 -4.76 119.74 123.98 2wbe s LYS 314 Ca -0.07 -0.57 0.05 0.00 0.02 0.00 0.00 55.97 55.41 2wbe s LYS 314 Cb -0.01 -3.80 -0.03 0.00 -0.52 0.00 0.00 37.83 33.47 2wbe s LYS 314 CO 0.01 -0.46 -0.16 0.99 -0.92 0.00 0.00 175.35 174.80 2wbe s THR 315 N 1.82 2.90 -0.03 2.17 2.01 -1.26 -1.86 115.64 121.39 2wbe s THR 315 Ca 0.08 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.19 2wbe s THR 315 Cb -0.17 -2.16 -0.00 0.00 0.01 0.00 0.00 72.50 70.18 2wbe s THR 315 CO 0.11 0.49 -0.12 -0.44 -0.69 0.00 0.00 174.62 173.97 2wbe s SER 316 N -1.00 1.56 -0.12 3.53 0.01 -0.23 -1.69 113.70 115.77 2wbe s SER 316 Ca 0.13 -0.25 0.01 0.00 1.31 0.00 0.00 55.95 57.15 2wbe s SER 316 Cb -0.11 -0.39 -0.01 0.00 0.21 0.00 0.00 66.02 65.72 2wbe s SER 316 CO 0.02 0.11 -0.15 -0.63 0.41 0.00 0.00 173.24 173.00 2wbe s ILE 317 N 0.07 2.84 -0.30 1.44 -1.09 0.36 -2.29 121.20 122.23 2wbe s ILE 317 Ca -0.02 -0.74 -0.05 0.00 -2.23 0.00 0.00 60.65 57.61 2wbe s ILE 317 Cb -0.09 -2.17 0.03 0.00 -1.58 0.00 0.00 42.46 38.65 2wbe s ILE 317 CO 0.01 0.54 0.05 -0.63 -1.23 0.00 0.00 174.94 173.67 2wbe s ILE 318 N 0.28 3.54 -0.23 2.92 1.01 -0.37 -1.24 121.20 127.11 2wbe s ILE 318 Ca -0.11 -0.99 -0.13 0.00 0.00 0.00 0.00 60.65 59.42 2wbe s ILE 318 Cb -0.16 -2.91 -0.05 0.00 0.01 0.00 0.00 42.46 39.36 2wbe s ILE 318 CO 0.06 0.00 0.25 0.00 0.00 0.00 0.00 174.94 175.25 2wbe s ALA 319 N 1.40 3.59 -0.11 9.38 0.00 0.23 -1.67 121.76 134.59 2wbe s ALA 319 Ca -0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 51.96 51.14 2wbe s ALA 319 Cb -0.18 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 2wbe s ALA 319 CO 0.01 -0.27 0.06 0.95 0.00 0.00 0.00 175.76 176.51 2wbe s THR 320 N 1.22 4.77 0.03 0.00 -4.23 0.06 -0.90 115.64 116.59 2wbe s THR 320 Ca 0.12 -0.07 0.01 0.00 -1.18 0.00 0.00 61.69 60.57 2wbe s THR 320 Cb -0.14 -3.05 -0.02 0.00 1.34 0.00 0.00 72.50 70.63 2wbe s THR 320 CO 0.06 0.59 -0.04 -0.63 -0.54 0.00 0.00 174.62 174.06 2wbe s ILE 321 N -0.79 0.24 -0.09 2.99 1.01 -0.49 -4.31 121.20 119.76 2wbe s ILE 321 Ca 0.13 -0.99 -0.14 0.00 0.00 0.00 0.00 60.65 59.65 2wbe s ILE 321 Cb -0.12 -0.40 -0.05 0.00 0.01 0.00 0.00 42.46 41.90 2wbe s ILE 321 CO 0.03 -0.48 0.34 -0.55 0.00 0.00 0.00 174.94 174.27 2wbe s SER 322 N -1.54 6.60 0.00 3.58 0.15 -1.26 -2.09 113.70 119.13 2wbe s SER 322 Ca -0.14 0.71 0.25 0.00 0.70 0.00 0.00 55.95 57.47 2wbe s SER 322 Cb -0.09 -2.20 1.17 0.00 -1.71 0.00 0.00 66.02 63.18 2wbe s SER 322 CO -0.01 0.21 1.81 -0.81 1.20 0.00 0.00 173.24 175.65 2wbe n PRO 323 N 2.73 0.21 -2.21 5.44 -0.04 -1.26 -4.88 135.00 134.98 2wbe n PRO 323 Ca -0.13 0.06 -0.38 0.00 -0.04 0.00 0.00 63.50 63.01 2wbe n PRO 323 Cb 0.52 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 2wbe n PRO 323 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2wbe s GLY 324 N -2.75 2.85 0.35 0.55 0.00 -1.26 -1.10 107.32 105.96 2wbe s GLY 324 Ca 0.19 1.03 0.13 0.00 0.00 0.00 0.00 44.72 46.06 2wbe s GLY 324 CO 0.41 1.53 1.76 1.12 0.00 0.00 0.00 173.10 177.92 2wbe h HIS 325 N 2.38 0.00 -0.21 1.90 2.07 -1.86 -2.47 115.15 116.95 2wbe h HIS 325 Ca -0.49 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.00 2wbe h HIS 325 Cb 1.24 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.21 2wbe h HIS 325 CO 0.54 0.44 0.01 -0.22 -3.07 0.00 0.00 177.93 175.63 2wbe h LYS 326 N 0.00 0.31 -0.87 5.12 3.64 -1.91 -1.84 116.57 121.02 2wbe h LYS 326 Ca -0.00 -0.05 -0.37 0.00 -1.27 0.00 0.00 60.65 58.96 2wbe h LYS 326 Cb 0.80 -0.06 -0.22 0.00 -0.41 0.00 0.00 32.23 32.34 2wbe h LYS 326 CO 0.06 0.33 0.46 -0.25 -2.27 0.00 0.00 179.45 177.78 2wbe n ASP 327 N -4.37 4.26 -0.20 4.20 8.00 -0.93 -4.64 116.55 122.87 2wbe n ASP 327 Ca 0.00 -3.43 -0.04 0.00 0.71 0.00 0.00 54.79 52.03 2wbe n ASP 327 Cb 0.18 -0.79 0.14 0.00 -0.02 0.00 0.00 41.12 40.63 2wbe n ASP 327 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 2wbe h ILE 328 N 1.81 1.24 -0.33 0.53 2.10 -1.35 -1.88 117.51 119.63 2wbe h ILE 328 Ca 0.46 -0.80 -0.01 0.00 1.08 0.00 0.00 64.86 65.58 2wbe h ILE 328 Cb 2.61 0.50 -0.02 0.00 -1.09 0.00 0.00 36.82 38.82 2wbe h ILE 328 CO 0.92 0.31 0.17 -0.33 -1.08 0.00 0.00 178.15 178.15 2wbe h GLU 329 N 0.96 0.47 -0.40 2.19 5.08 -1.84 -0.99 114.58 120.05 2wbe h GLU 329 Ca 0.22 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 2wbe h GLU 329 Cb 0.25 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2wbe h GLU 329 CO -0.01 0.42 -0.17 1.49 -1.00 0.00 0.00 179.01 179.74 2wbe h GLU 330 N 0.40 0.76 -0.55 2.33 4.57 -1.86 -1.67 114.58 118.56 2wbe h GLU 330 Ca 0.11 -0.28 -0.00 0.00 -1.18 0.00 0.00 59.36 58.01 2wbe h GLU 330 Cb 0.09 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 2wbe h GLU 330 CO -0.02 0.88 0.33 1.15 -1.18 0.00 0.00 179.01 180.17 2wbe h THR 331 N 0.67 1.17 -0.54 0.32 2.02 -0.91 0.36 112.91 116.00 2wbe h THR 331 Ca 0.10 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2wbe h THR 331 Cb 0.66 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 2wbe h THR 331 CO 0.05 0.17 0.35 0.25 0.37 0.00 0.00 175.52 176.71 2wbe h LEU 332 N 0.74 0.63 -0.87 2.58 7.12 -0.75 0.55 115.31 125.31 2wbe h LEU 332 Ca 0.20 -0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.18 2wbe h LEU 332 Cb -0.01 -0.16 -0.04 0.00 -0.53 0.00 0.00 40.66 39.92 2wbe h LEU 332 CO -0.04 0.47 0.52 0.77 -0.13 0.00 0.00 178.44 180.03 2wbe h SER 333 N 0.73 1.05 -0.62 1.25 4.64 -0.38 -0.97 113.55 119.25 2wbe h SER 333 Ca 0.20 -0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.40 2wbe h SER 333 Cb -0.07 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 61.73 2wbe h SER 333 CO -0.04 0.81 0.20 0.74 -0.87 0.00 0.00 176.83 177.67 2wbe h THR 334 N 1.20 1.24 -0.76 2.95 2.02 0.01 -2.34 112.91 117.23 2wbe h THR 334 Ca 0.31 -0.83 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 2wbe h THR 334 Cb -0.04 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 2wbe h THR 334 CO -0.06 0.32 0.41 -0.07 0.37 0.00 0.00 175.52 176.49 2wbe h LEU 335 N 0.89 0.95 -0.90 2.58 3.38 0.29 -0.89 115.31 121.61 2wbe h LEU 335 Ca 0.20 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 2wbe h LEU 335 Cb 0.28 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2wbe h LEU 335 CO -0.01 0.78 0.02 -0.33 0.09 0.00 0.00 178.44 178.99 2wbe h GLU 336 N 1.05 0.83 -0.46 1.13 3.07 -0.93 0.39 114.58 119.66 2wbe h GLU 336 Ca 0.27 -0.22 -0.01 0.00 -0.50 0.00 0.00 59.36 58.90 2wbe h GLU 336 Cb 0.05 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 2wbe h GLU 336 CO -0.04 0.82 0.27 -0.92 -1.40 0.00 0.00 179.01 177.74 2wbe h TYR 337 N 0.78 0.62 -0.69 4.33 3.20 -0.83 -0.36 116.97 124.02 2wbe h TYR 337 Ca 0.15 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.94 2wbe h TYR 337 Cb 0.44 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 2wbe h TYR 337 CO 0.02 0.45 0.15 0.00 -1.64 0.00 0.00 178.16 177.15 2wbe h ALA 338 N 1.11 0.91 -0.53 1.82 0.00 -0.80 -1.89 119.26 119.88 2wbe h ALA 338 Ca 0.16 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2wbe h ALA 338 Cb 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2wbe h ALA 338 CO -0.03 0.65 0.22 1.25 0.00 0.00 0.00 179.25 181.34 2wbe h HIS 339 N 1.04 0.80 -0.62 0.00 -0.00 -0.38 -2.30 115.15 113.69 2wbe h HIS 339 Ca 0.21 -0.05 -0.08 0.00 -0.00 0.00 0.00 60.37 60.45 2wbe h HIS 339 Cb 0.40 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.54 2wbe h HIS 339 CO 0.03 0.65 0.08 0.00 -0.00 0.00 0.00 177.93 178.68 2wbe h ARG 340 N 0.72 1.05 -0.39 5.26 3.08 -0.84 -2.92 114.38 120.33 2wbe h ARG 340 Ca 0.18 -0.30 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 2wbe h ARG 340 Cb 0.18 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 2wbe h ARG 340 CO -0.02 0.99 0.13 0.00 -1.07 0.00 0.00 179.97 180.01 2wbe h ALA 341 N 1.02 1.51 -0.36 0.04 0.00 -1.03 -2.44 119.26 117.99 2wbe h ALA 341 Ca 0.19 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2wbe h ALA 341 Cb 0.47 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2wbe h ALA 341 CO 0.02 0.38 0.24 -0.22 0.00 0.00 0.00 179.25 179.67 2wbe h LYS 342 N 0.56 0.44 0.00 0.00 3.64 -1.22 -1.97 116.57 118.02 2wbe h LYS 342 Ca 0.13 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 2wbe h LYS 342 Cb 0.15 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2wbe h LYS 342 CO -0.01 0.29 -0.30 -0.97 -2.27 0.00 0.00 179.45 176.20 2wbe h ASN 343 N 0.46 0.00 -3.93 4.20 -0.73 -1.53 -3.38 115.58 110.67 2wbe h ASN 343 Ca 0.14 0.00 -0.53 0.00 1.87 0.00 0.00 56.30 57.78 2wbe h ASN 343 Cb -0.00 0.00 0.09 0.00 0.27 0.00 0.00 38.32 38.68 2wbe h ASN 343 CO -0.03 0.30 0.69 -0.63 -0.37 0.00 0.00 177.43 177.38 2wbe s ILE 344 N -4.14 2.39 0.02 2.57 1.01 -0.74 -4.90 121.20 117.41 2wbe s ILE 344 Ca -0.02 0.38 0.07 0.00 0.00 0.00 0.00 60.65 61.07 2wbe s ILE 344 Cb 0.14 -3.23 -0.02 0.00 0.01 0.00 0.00 42.46 39.35 2wbe s ILE 344 CO 0.68 0.08 -0.21 0.00 0.00 0.00 0.00 174.94 175.49 2wbe s GLN 345 N -2.08 1.52 0.29 2.79 -2.07 -1.26 -1.63 119.66 117.21 2wbe s GLN 345 Ca 0.54 -0.88 0.11 0.00 -1.82 0.00 0.00 55.36 53.31 2wbe s GLN 345 Cb -0.42 -1.57 -0.05 0.00 -1.09 0.00 0.00 33.01 29.87 2wbe s GLN 345 CO 0.56 0.41 -0.13 -0.80 -1.32 0.00 0.00 175.29 174.01 2wbe s ASN 346 N -0.94 3.84 -0.47 12.60 0.01 0.24 -4.91 114.94 125.32 2wbe s ASN 346 Ca 0.08 -0.96 -0.00 0.00 -0.71 0.00 0.00 52.86 51.26 2wbe s ASN 346 Cb -0.09 -0.43 0.12 0.00 0.41 0.00 0.00 41.25 41.26 2wbe s ASN 346 CO 0.01 -0.01 0.24 -0.54 -1.51 0.00 0.00 177.10 175.28 2wbe s LYS 347 N -3.57 2.02 0.35 -0.60 1.02 -1.20 -0.62 119.74 117.14 2wbe s LYS 347 Ca 0.31 -2.15 -0.03 0.00 0.02 0.00 0.00 55.97 54.12 2wbe s LYS 347 Cb -0.04 -3.49 -0.04 0.00 -0.52 0.00 0.00 37.83 33.74 2wbe s LYS 347 CO 0.16 -1.07 0.59 -1.25 -0.92 0.00 0.00 175.35 172.86 2wbe s PRO 348 N 0.54 3.56 0.09 -1.68 0.04 -0.35 -4.06 135.00 133.15 2wbe s PRO 348 Ca 0.13 -0.09 -0.20 0.00 0.04 0.00 0.00 61.00 60.87 2wbe s PRO 348 Cb -0.22 -2.60 0.05 0.00 0.04 0.00 0.00 34.50 31.77 2wbe s PRO 348 CO -0.04 0.11 0.50 -2.00 0.04 0.00 0.00 177.00 175.61 2wbe s GLU 349 N -4.06 1.09 0.35 4.56 2.12 -1.26 -2.04 118.70 119.47 2wbe s GLU 349 Ca 0.43 -0.43 -0.25 0.00 0.36 0.00 0.00 54.97 55.08 2wbe s GLU 349 Cb -0.10 0.49 -0.10 0.00 0.26 0.00 0.00 34.13 34.68 2wbe s GLU 349 CO 0.35 -0.42 0.95 0.54 -0.54 0.00 0.00 175.26 176.14 2wbe s VAL 350 N -3.12 4.22 -0.86 3.70 0.11 -1.26 -4.68 120.40 118.51 2wbe s VAL 350 Ca -0.02 1.72 -0.12 0.00 -2.93 0.00 0.00 61.98 60.64 2wbe s VAL 350 Cb 0.00 -3.89 0.22 0.00 -1.53 0.00 0.00 36.38 31.18 2wbe s VAL 350 CO -0.07 0.02 0.79 0.20 -3.33 0.00 0.00 175.10 172.72 2wbe s ASN 351 N -1.75 6.68 0.06 3.54 0.01 0.41 -5.00 114.94 118.90 2wbe s ASN 351 Ca 0.53 -2.90 -0.13 0.00 -0.71 0.00 0.00 52.86 49.66 2wbe s ASN 351 Cb -0.16 -2.16 -0.06 0.00 0.41 0.00 0.00 41.25 39.27 2wbe s ASN 351 CO 0.21 -0.49 0.44 0.00 -1.51 0.00 0.00 177.10 175.75 2wbe s GLN 352 N -0.15 3.89 0.14 -0.60 -2.07 -1.24 -2.84 119.66 116.79 2wbe s GLN 352 Ca 0.20 0.36 0.09 0.00 -1.82 0.00 0.00 55.36 54.19 2wbe s GLN 352 Cb -0.11 -3.09 -0.04 0.00 -1.09 0.00 0.00 33.01 28.68 2wbe s GLN 352 CO -0.08 0.60 -0.14 0.21 -1.32 0.00 0.00 175.29 174.56 2wbe s LYS 353 N -1.54 1.91 0.16 9.60 2.47 -1.18 -5.02 119.74 126.14 2wbe s LYS 353 Ca 0.30 -1.22 0.07 0.00 -1.56 0.00 0.00 55.97 53.56 2wbe s LYS 353 Cb -0.16 -2.14 -0.04 0.00 -1.46 0.00 0.00 37.83 34.04 2wbe s LYS 353 CO 0.16 0.46 -0.03 -1.17 0.16 0.00 0.00 175.35 174.94 2wbe s LEU 354 N -2.44 3.25 0.00 5.43 2.96 -1.26 -3.12 118.68 123.50 2wbe s LEU 354 Ca 0.21 -0.39 0.26 0.00 -0.22 0.00 0.00 54.13 53.99 2wbe s LEU 354 Cb -0.10 -1.94 0.69 0.00 0.50 0.00 0.00 46.19 45.35 2wbe s LEU 354 CO 0.12 0.11 1.54 0.41 -1.32 0.00 0.00 176.35 177.22