#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wss s THR 10 N 0.00 0.17 0.31 4.28 2.01 -1.26 -3.59 115.64 117.56 2wss s THR 10 Ca 0.00 -1.39 -0.16 0.00 0.31 0.00 0.00 61.69 60.45 2wss s THR 10 Cb 0.00 -1.02 0.02 0.00 0.01 0.00 0.00 72.50 71.51 2wss s THR 10 CO 0.00 -0.77 0.67 -0.83 -0.69 0.00 0.00 174.62 173.00 2wss s GLY 11 N -2.33 0.32 0.05 4.40 0.00 -0.31 -4.27 107.32 105.17 2wss s GLY 11 Ca -0.02 -0.67 0.04 0.00 0.00 0.00 0.00 44.72 44.07 2wss s GLY 11 CO -0.06 -0.35 -0.12 0.50 0.00 0.00 0.00 173.10 173.07 2wss s ARG 12 N -3.38 0.73 -0.67 2.90 0.52 0.72 0.11 118.95 119.88 2wss s ARG 12 Ca 0.16 -0.79 -0.25 0.00 -0.52 0.00 0.00 55.73 54.34 2wss s ARG 12 Cb -0.04 -0.66 0.05 0.00 0.52 0.00 0.00 34.95 34.82 2wss s ARG 12 CO 0.10 0.15 1.09 0.42 0.02 0.00 0.00 175.30 177.08 2wss s ILE 13 N -1.12 4.09 0.14 1.52 1.01 -1.06 -0.66 121.20 125.12 2wss s ILE 13 Ca -0.03 0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.70 2wss s ILE 13 Cb -0.09 -4.76 -0.18 0.00 0.01 0.00 0.00 42.46 37.45 2wss s ILE 13 CO 0.01 -1.55 1.32 0.58 0.00 0.00 0.00 174.94 175.30 2wss h VAL 14 N 6.01 1.47 -4.01 2.92 2.07 -1.63 -1.94 116.25 121.14 2wss h VAL 14 Ca -0.28 -2.64 -0.15 0.00 0.82 0.00 0.00 66.70 64.46 2wss h VAL 14 Cb 1.06 2.52 -0.19 0.00 -1.52 0.00 0.00 31.29 33.17 2wss h VAL 14 CO 1.21 0.77 -0.66 0.00 0.02 0.00 0.00 177.57 178.91 2wss s ALA 15 N -3.14 0.19 -0.29 1.67 0.00 -0.92 -4.96 121.76 114.31 2wss s ALA 15 Ca -0.04 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.17 2wss s ALA 15 Cb 0.09 0.20 0.14 0.00 0.00 0.00 0.00 23.12 23.56 2wss s ALA 15 CO 0.85 -0.25 0.33 0.08 0.00 0.00 0.00 175.76 176.77 2wss s VAL 16 N -2.40 -0.48 -0.12 0.00 1.01 -1.26 -1.45 120.40 115.70 2wss s VAL 16 Ca -0.07 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.51 2wss s VAL 16 Cb -0.03 -0.99 0.01 0.00 0.00 0.00 0.00 36.38 35.37 2wss s VAL 16 CO -0.04 -0.40 -0.18 -0.63 0.00 0.00 0.00 175.10 173.85 2wss s ILE 17 N 2.43 1.69 0.00 2.22 1.09 -0.82 -5.02 121.20 122.79 2wss s ILE 17 Ca 0.09 -0.76 0.00 0.00 -1.10 0.00 0.00 60.65 58.88 2wss s ILE 17 Cb -0.13 -1.52 0.00 0.00 -1.06 0.00 0.00 42.46 39.74 2wss s ILE 17 CO -0.32 0.48 0.00 0.61 -0.10 0.00 0.00 174.94 175.61 2wss n GLY 18 N 4.10 2.78 1.00 6.18 0.00 -1.26 -0.29 105.19 117.70 2wss n GLY 18 Ca -0.19 -0.28 0.04 0.00 0.00 0.00 0.00 46.02 45.58 2wss n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wss n ALA 19 N 8.72 2.94 -3.48 4.61 0.00 -1.26 -4.67 120.51 127.38 2wss n ALA 19 Ca 0.00 -0.81 -0.43 0.00 0.00 0.00 0.00 53.44 52.20 2wss n ALA 19 Cb 0.00 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.35 2wss n ALA 19 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wss s VAL 20 N -1.74 4.71 -0.23 0.00 1.01 0.60 -0.42 120.40 124.33 2wss s VAL 20 Ca 0.25 -2.16 -0.17 0.00 0.00 0.00 0.00 61.98 59.89 2wss s VAL 20 Cb 0.17 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 2wss s VAL 20 CO 0.10 -0.89 0.47 -0.69 0.00 0.00 0.00 175.10 174.09 2wss s VAL 21 N 0.77 5.13 -0.18 2.92 1.01 -0.81 -1.95 120.40 127.29 2wss s VAL 21 Ca 0.11 0.81 -0.18 0.00 0.00 0.00 0.00 61.98 62.71 2wss s VAL 21 Cb -0.21 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 2wss s VAL 21 CO -0.03 0.16 0.51 -1.81 0.00 0.00 0.00 175.10 173.93 2wss s ASP 22 N 1.35 6.60 -0.07 3.32 1.01 -0.53 -0.34 116.67 128.02 2wss s ASP 22 Ca 0.20 0.72 0.01 0.00 0.71 0.00 0.00 52.55 54.19 2wss s ASP 22 Cb -0.15 -2.29 0.02 0.00 1.01 0.00 0.00 42.92 41.51 2wss s ASP 22 CO 0.09 -0.13 -0.06 -0.69 0.21 0.00 0.00 175.17 174.59 2wss s VAL 23 N 1.34 0.76 -0.02 -1.27 1.01 0.02 -1.51 120.40 120.72 2wss s VAL 23 Ca 0.25 -0.21 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 2wss s VAL 23 Cb -0.15 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 2wss s VAL 23 CO 0.10 0.29 0.12 -1.58 0.00 0.00 0.00 175.10 174.03 2wss s GLN 24 N 1.16 3.23 -0.05 2.72 0.74 0.17 -1.07 119.66 126.56 2wss s GLN 24 Ca -0.07 -0.38 0.02 0.00 0.05 0.00 0.00 55.36 54.98 2wss s GLN 24 Cb -0.14 -2.98 0.01 0.00 1.10 0.00 0.00 33.01 31.01 2wss s GLN 24 CO -0.01 0.68 -0.09 -0.06 -0.55 0.00 0.00 175.29 175.25 2wss s PHE 25 N -1.20 1.13 -0.08 1.67 0.40 0.54 -0.20 117.98 120.24 2wss s PHE 25 Ca 0.23 -0.37 -0.22 0.00 -0.60 0.00 0.00 56.93 55.98 2wss s PHE 25 Cb -0.12 -0.86 -0.29 0.00 0.51 0.00 0.00 43.02 42.25 2wss s PHE 25 CO 0.14 -0.21 0.79 -0.44 0.70 0.00 0.00 175.22 176.20 2wss h ASP 26 N 6.88 0.38 0.00 1.36 3.32 -1.85 -3.43 116.42 123.08 2wss h ASP 26 Ca -0.34 -0.92 0.00 0.00 0.02 0.00 0.00 57.03 55.79 2wss h ASP 26 Cb 1.17 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.60 2wss h ASP 26 CO 0.48 1.39 0.00 -0.62 -1.72 0.00 0.00 179.24 178.77 2wss n GLU 27 N -4.16 0.00 -3.90 3.56 -0.58 -1.26 -4.88 120.64 109.42 2wss n GLU 27 Ca -0.16 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.23 2wss n GLU 27 Cb 0.79 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 31.52 2wss n GLU 27 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2wss s GLY 28 N 0.00 1.65 0.24 0.62 0.00 -1.26 -5.09 107.32 103.49 2wss s GLY 28 Ca 0.00 -1.37 -0.31 0.00 0.00 0.00 0.00 44.72 43.04 2wss s GLY 28 CO 0.00 0.52 1.55 1.04 0.00 0.00 0.00 173.10 176.21 2wss n LEU 29 N 4.75 3.70 -4.72 0.66 4.32 -1.26 -4.85 117.00 119.60 2wss n LEU 29 Ca -0.17 1.12 -0.42 0.00 -0.02 0.00 0.00 56.01 56.53 2wss n LEU 29 Cb 0.48 -1.51 -0.04 0.00 -1.62 0.00 0.00 43.42 40.74 2wss n LEU 29 CO 0.28 -0.13 0.71 -2.16 -1.22 0.00 0.00 177.39 174.88 2wss s PRO 30 N -0.04 4.59 1.08 3.23 0.05 -1.26 -5.02 135.00 137.62 2wss s PRO 30 Ca 0.69 1.49 -0.16 0.00 0.05 0.00 0.00 61.00 63.07 2wss s PRO 30 Cb -0.58 -3.41 0.11 0.00 0.05 0.00 0.00 34.50 30.68 2wss s PRO 30 CO 0.45 0.02 0.25 -2.30 0.05 0.00 0.00 177.00 175.48 2wss n PRO 31 N 3.42 -1.32 -1.64 0.56 -0.02 -1.26 -4.85 135.00 129.90 2wss n PRO 31 Ca 0.05 -0.36 -0.39 0.00 -2.02 0.00 0.00 63.50 60.78 2wss n PRO 31 Cb 0.50 -1.81 0.04 0.00 -0.02 0.00 0.00 33.50 32.20 2wss n PRO 31 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wss n ILE 32 N -4.26 3.26 -0.87 4.25 -0.00 -1.26 -3.03 119.36 117.46 2wss n ILE 32 Ca 0.03 -0.50 0.00 0.00 -0.00 0.00 0.00 62.75 62.28 2wss n ILE 32 Cb 0.59 -1.27 0.00 0.00 -0.00 0.00 0.00 39.64 38.96 2wss n ILE 32 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 2wss n LEU 33 N -0.37 0.00 -4.86 1.39 4.77 -0.37 -4.95 117.00 112.62 2wss n LEU 33 Ca 0.11 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.77 2wss n LEU 33 Cb 0.44 -0.43 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 2wss n LEU 33 CO 0.53 0.00 0.36 0.20 -1.33 0.00 0.00 177.39 177.15 2wss s ASN 34 N -2.05 6.73 -0.62 -1.43 -0.87 -1.17 -3.64 114.94 111.89 2wss s ASN 34 Ca 0.00 1.18 -0.22 0.00 -1.57 0.00 0.00 52.86 52.25 2wss s ASN 34 Cb 0.00 -2.33 0.07 0.00 -0.02 0.00 0.00 41.25 38.97 2wss s ASN 34 CO 0.00 -0.17 0.90 0.00 -2.57 0.00 0.00 177.10 175.26 2wss s ALA 35 N -1.95 3.18 0.26 0.60 0.00 0.34 -1.78 121.76 122.42 2wss s ALA 35 Ca 0.52 -1.79 -0.23 0.00 0.00 0.00 0.00 51.96 50.46 2wss s ALA 35 Cb -0.10 -3.76 -0.09 0.00 0.00 0.00 0.00 23.12 19.17 2wss s ALA 35 CO 0.19 -2.60 0.82 -0.51 0.00 0.00 0.00 175.76 173.66 2wss s LEU 36 N 3.76 4.36 -0.48 0.00 1.43 -0.28 -0.88 118.68 126.58 2wss s LEU 36 Ca 0.21 1.61 0.04 0.00 -1.03 0.00 0.00 54.13 54.97 2wss s LEU 36 Cb -0.17 -3.76 0.12 0.00 0.03 0.00 0.00 46.19 42.41 2wss s LEU 36 CO 0.11 -0.00 0.21 -1.61 0.23 0.00 0.00 176.35 175.29 2wss s GLU 37 N -1.97 1.88 0.15 1.70 2.02 0.21 -0.65 118.70 122.05 2wss s GLU 37 Ca 0.46 -2.44 -0.33 0.00 0.02 0.00 0.00 54.97 52.68 2wss s GLU 37 Cb -0.18 -3.31 -0.17 0.00 0.10 0.00 0.00 34.13 30.57 2wss s GLU 37 CO 0.22 -1.07 0.98 0.28 0.02 0.00 0.00 175.26 175.69 2wss n VAL 38 N 3.40 1.02 -3.78 2.63 0.31 -1.02 -2.96 118.33 117.93 2wss n VAL 38 Ca 0.05 -0.26 -0.33 0.00 -0.01 0.00 0.00 64.34 63.80 2wss n VAL 38 Cb 0.35 -0.47 -0.05 0.00 -0.91 0.00 0.00 33.84 32.76 2wss n VAL 38 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2wss s GLN 39 N -0.51 3.55 -0.05 5.55 -1.52 -0.41 -4.52 119.66 121.75 2wss s GLN 39 Ca 0.74 -0.18 -0.00 0.00 -1.95 0.00 0.00 55.36 53.97 2wss s GLN 39 Cb -0.95 -3.00 -0.00 0.00 -0.22 0.00 0.00 33.01 28.83 2wss s GLN 39 CO 0.55 0.59 0.05 0.41 -0.25 0.00 0.00 175.29 176.63 2wss n GLY 40 N 0.59 0.77 3.17 3.09 0.00 -1.26 -4.69 105.19 106.86 2wss n GLY 40 Ca -0.07 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 2wss n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wss s ARG 41 N -3.17 0.63 0.34 1.61 0.52 -1.26 -5.05 118.95 112.58 2wss s ARG 41 Ca 0.02 -0.48 0.05 0.00 -0.52 0.00 0.00 55.73 54.80 2wss s ARG 41 Cb -0.00 0.26 0.63 0.00 0.52 0.00 0.00 34.95 36.36 2wss s ARG 41 CO 0.04 -0.17 1.88 0.93 0.02 0.00 0.00 175.30 178.00 2wss h GLU 42 N 3.76 0.50 -4.60 3.54 5.08 -1.99 -3.42 114.58 117.45 2wss h GLU 42 Ca -0.31 -0.10 -0.50 0.00 -1.00 0.00 0.00 59.36 57.45 2wss h GLU 42 Cb 1.19 -0.07 -0.33 0.00 0.50 0.00 0.00 28.75 30.04 2wss h GLU 42 CO 0.44 0.53 -0.81 0.95 -1.00 0.00 0.00 179.01 179.12 2wss s THR 43 N -4.96 1.06 -0.47 1.13 -4.23 -1.26 -5.08 115.64 101.82 2wss s THR 43 Ca -0.07 -0.46 -0.43 0.00 -1.18 0.00 0.00 61.69 59.55 2wss s THR 43 Cb 0.16 -0.96 -0.18 0.00 1.34 0.00 0.00 72.50 72.85 2wss s THR 43 CO 0.76 0.33 2.11 0.54 -0.54 0.00 0.00 174.62 177.83 2wss n ARG 44 N 3.66 0.20 -3.50 3.99 1.74 -1.26 -4.89 116.66 116.60 2wss n ARG 44 Ca -0.22 0.06 -0.42 0.00 -0.77 0.00 0.00 57.85 56.49 2wss n ARG 44 Cb 0.52 -1.67 -0.05 0.00 -1.02 0.00 0.00 32.46 30.24 2wss n ARG 44 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2wss s LEU 45 N 6.01 6.09 0.22 0.55 2.96 -1.26 -4.96 118.68 128.29 2wss s LEU 45 Ca 1.17 -2.79 -0.30 0.00 -0.22 0.00 0.00 54.13 52.00 2wss s LEU 45 Cb -1.39 -2.05 -0.08 0.00 0.50 0.00 0.00 46.19 43.17 2wss s LEU 45 CO 0.64 -0.48 1.11 -0.69 -1.32 0.00 0.00 176.35 175.62 2wss s VAL 46 N 0.03 3.67 0.03 1.68 1.01 -1.26 -2.44 120.40 123.11 2wss s VAL 46 Ca 0.18 1.52 0.03 0.00 0.00 0.00 0.00 61.98 63.71 2wss s VAL 46 Cb -0.14 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 2wss s VAL 46 CO -0.07 0.30 -0.02 -0.76 0.00 0.00 0.00 175.10 174.55 2wss s LEU 47 N -0.77 3.39 -0.08 3.92 1.43 0.18 -1.10 118.68 125.65 2wss s LEU 47 Ca 0.48 -0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.53 2wss s LEU 47 Cb -0.31 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 2wss s LEU 47 CO 0.37 0.25 -0.23 -0.70 0.23 0.00 0.00 176.35 176.27 2wss s GLU 48 N -1.72 2.85 0.01 1.70 2.12 0.03 -1.13 118.70 122.56 2wss s GLU 48 Ca 0.20 -0.87 -0.30 0.00 0.36 0.00 0.00 54.97 54.36 2wss s GLU 48 Cb -0.11 -2.27 -0.05 0.00 0.26 0.00 0.00 34.13 31.96 2wss s GLU 48 CO 0.12 0.28 1.23 0.08 -0.54 0.00 0.00 175.26 176.42 2wss s VAL 49 N 0.10 4.06 -0.13 3.70 1.01 -0.73 -1.96 120.40 126.44 2wss s VAL 49 Ca -0.11 1.45 -0.13 0.00 0.00 0.00 0.00 61.98 63.19 2wss s VAL 49 Cb -0.16 -3.93 -0.06 0.00 0.00 0.00 0.00 36.38 32.24 2wss s VAL 49 CO 0.06 0.06 -0.27 0.00 0.00 0.00 0.00 175.10 174.95 2wss n ALA 50 N 4.55 1.44 -2.65 5.51 0.00 0.11 -1.23 120.51 128.24 2wss n ALA 50 Ca 0.10 -0.67 -0.20 0.00 0.00 0.00 0.00 53.44 52.67 2wss n ALA 50 Cb 0.46 0.11 -0.12 0.00 0.00 0.00 0.00 19.45 19.90 2wss n ALA 50 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2wss s GLN 51 N -2.63 0.92 -0.25 0.00 -0.21 -1.22 -4.82 119.66 111.46 2wss s GLN 51 Ca -0.24 -1.02 -0.21 0.00 0.02 0.00 0.00 55.36 53.91 2wss s GLN 51 Cb 0.05 -1.01 -0.02 0.00 1.00 0.00 0.00 33.01 33.03 2wss s GLN 51 CO 0.34 0.23 0.67 -1.01 -2.12 0.00 0.00 175.29 173.40 2wss s HIS 52 N -1.23 3.29 -0.13 0.91 3.76 -1.26 -0.79 115.29 119.84 2wss s HIS 52 Ca 0.01 0.89 0.18 0.00 -0.15 0.00 0.00 55.06 55.98 2wss s HIS 52 Cb -0.10 -2.88 -0.13 0.00 1.11 0.00 0.00 32.58 30.58 2wss s HIS 52 CO 0.03 -0.33 0.80 1.28 -0.85 0.00 0.00 174.74 175.67 2wss n LEU 53 N 5.72 0.80 0.00 0.89 4.77 0.49 -4.97 117.00 124.69 2wss n LEU 53 Ca 0.01 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 2wss n LEU 53 Cb 0.49 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 2wss n LEU 53 CO 0.44 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 2wss n GLY 54 N 1.38 2.17 3.26 -0.72 0.00 -1.17 -4.94 105.19 105.19 2wss n GLY 54 Ca -0.09 -1.91 -0.19 0.00 0.00 0.00 0.00 46.02 43.83 2wss n GLY 54 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wss n GLU 55 N 1.94 -6.58 -2.15 1.61 1.02 -1.26 -2.35 120.64 112.86 2wss n GLU 55 Ca 0.00 0.73 -0.08 0.00 -0.02 0.00 0.00 57.16 57.79 2wss n GLU 55 Cb 0.00 -5.46 -0.01 0.00 -0.02 0.00 0.00 31.44 25.95 2wss n GLU 55 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2wss n SER 56 N -2.60 -2.77 -4.75 1.62 7.64 -1.26 -4.80 113.62 106.70 2wss n SER 56 Ca -0.09 0.27 -0.35 0.00 1.01 0.00 0.00 58.87 59.72 2wss n SER 56 Cb 0.59 -2.49 -0.08 0.00 -1.01 0.00 0.00 64.21 61.22 2wss n SER 56 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2wss s THR 57 N -2.24 4.65 0.21 0.44 2.01 -0.99 -0.34 115.64 119.38 2wss s THR 57 Ca 0.00 -0.20 0.11 0.00 0.31 0.00 0.00 61.69 61.91 2wss s THR 57 Cb 0.00 -3.02 -0.05 0.00 0.01 0.00 0.00 72.50 69.45 2wss s THR 57 CO 0.00 0.54 -0.21 0.68 -0.69 0.00 0.00 174.62 174.94 2wss s VAL 58 N -0.99 2.25 0.16 3.82 -7.23 -0.24 -0.38 120.40 117.79 2wss s VAL 58 Ca 0.16 -2.11 0.04 0.00 -1.81 0.00 0.00 61.98 58.25 2wss s VAL 58 Cb -0.12 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 2wss s VAL 58 CO 0.06 -0.25 0.22 -0.60 -0.31 0.00 0.00 175.10 174.21 2wss s ARG 59 N -2.96 3.18 0.08 4.82 3.52 0.03 -0.80 118.95 126.82 2wss s ARG 59 Ca 0.22 -0.73 -0.10 0.00 -0.13 0.00 0.00 55.73 54.99 2wss s ARG 59 Cb -0.06 -2.81 0.00 0.00 -1.56 0.00 0.00 34.95 30.52 2wss s ARG 59 CO 0.10 0.50 0.22 0.95 -0.81 0.00 0.00 175.30 176.26 2wss s THR 60 N -1.76 0.13 -0.00 4.11 -4.23 0.54 0.06 115.64 114.49 2wss s THR 60 Ca 0.33 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 2wss s THR 60 Cb -0.10 -1.24 -0.04 0.00 1.34 0.00 0.00 72.50 72.46 2wss s THR 60 CO 0.26 -0.58 0.05 0.27 -0.54 0.00 0.00 174.62 174.08 2wss s ILE 61 N -3.60 4.49 -0.03 2.99 -4.36 -0.83 -1.93 121.20 117.93 2wss s ILE 61 Ca 0.03 -0.49 -0.16 0.00 -0.26 0.00 0.00 60.65 59.77 2wss s ILE 61 Cb 0.03 -3.03 -0.05 0.00 1.25 0.00 0.00 42.46 40.66 2wss s ILE 61 CO -0.10 0.36 0.43 0.00 0.24 0.00 0.00 174.94 175.87 2wss s ALA 62 N -1.15 3.63 -0.46 2.27 0.00 0.44 -0.79 121.76 125.71 2wss s ALA 62 Ca 0.21 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 51.99 2wss s ALA 62 Cb -0.12 -2.46 0.23 0.00 0.00 0.00 0.00 23.12 20.77 2wss s ALA 62 CO 0.12 0.34 1.08 -1.33 0.00 0.00 0.00 175.76 175.96 2wss n MET 63 N 2.38 1.79 0.00 0.00 0.00 -0.26 -4.08 117.12 116.95 2wss n MET 63 Ca -0.12 -0.94 0.00 0.00 0.00 0.00 0.00 57.70 56.64 2wss n MET 63 Cb 0.52 -1.55 0.00 0.00 0.00 0.00 0.00 33.22 32.19 2wss n MET 63 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2wss n ASP 64 N 0.10 0.00 -4.38 7.83 -0.08 -1.26 -4.77 116.55 113.98 2wss n ASP 64 Ca 0.13 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 53.07 2wss n ASP 64 Cb 0.70 0.00 0.09 0.00 2.34 0.00 0.00 41.12 44.25 2wss n ASP 64 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2wss n GLY 65 N -0.26 -2.21 0.19 0.27 0.00 -1.26 -4.94 105.19 96.98 2wss n GLY 65 Ca 0.00 -0.63 0.03 0.00 0.00 0.00 0.00 46.02 45.42 2wss n GLY 65 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wss n THR 66 N -3.05 0.00 -1.58 2.61 -2.24 -1.26 -5.03 114.28 103.73 2wss n THR 66 Ca 0.07 -0.45 -0.48 0.00 -2.27 0.00 0.00 64.05 60.91 2wss n THR 66 Cb 0.53 1.10 -0.04 0.00 -2.10 0.00 0.00 70.33 69.82 2wss n THR 66 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2wss n GLU 67 N -0.10 1.23 -0.78 -0.78 0.00 -1.26 -2.67 120.64 116.28 2wss n GLU 67 Ca 0.03 0.44 0.00 0.00 0.00 0.00 0.00 57.16 57.63 2wss n GLU 67 Cb 0.15 -1.94 0.00 0.00 0.00 0.00 0.00 31.44 29.65 2wss n GLU 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2wss n GLY 68 N 2.00 0.69 3.76 -1.84 0.00 -1.26 -5.03 105.19 103.50 2wss n GLY 68 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2wss n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wss s LEU 69 N 0.00 4.53 0.01 0.99 1.43 -1.09 -5.06 118.68 119.49 2wss s LEU 69 Ca 0.00 2.29 0.04 0.00 -1.03 0.00 0.00 54.13 55.43 2wss s LEU 69 Cb 0.00 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.56 2wss s LEU 69 CO 0.00 -0.20 -0.10 -0.69 0.23 0.00 0.00 176.35 175.59 2wss s VAL 70 N -1.00 3.41 -0.11 -1.59 1.01 -1.26 -5.06 120.40 115.80 2wss s VAL 70 Ca 0.46 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 2wss s VAL 70 Cb -0.32 -2.46 -0.06 0.00 0.00 0.00 0.00 36.38 33.54 2wss s VAL 70 CO 0.41 0.40 1.87 0.00 0.00 0.00 0.00 175.10 177.78 2wss s ARG 71 N -1.36 3.82 0.00 2.72 1.70 -1.26 -0.45 118.95 124.13 2wss s ARG 71 Ca 0.16 2.13 0.00 0.00 -0.47 0.00 0.00 55.73 57.55 2wss s ARG 71 Cb -0.11 -4.14 0.00 0.00 -0.57 0.00 0.00 34.95 30.13 2wss s ARG 71 CO 0.06 -1.29 0.00 0.41 -1.08 0.00 0.00 175.30 173.40 2wss n GLY 72 N 4.78 1.82 3.62 3.88 0.00 -0.73 -4.91 105.19 113.65 2wss n GLY 72 Ca 0.21 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.77 2wss n GLY 72 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2wss n GLN 73 N 0.00 1.59 -2.28 1.61 7.27 0.41 -4.46 117.38 121.51 2wss n GLN 73 Ca 0.00 0.56 -0.42 0.00 0.07 0.00 0.00 57.00 57.22 2wss n GLN 73 Cb 0.00 -2.12 -0.03 0.00 2.41 0.00 0.00 30.24 30.50 2wss n GLN 73 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2wss s LYS 74 N -0.55 4.40 -0.02 3.69 3.01 -1.26 -2.57 119.74 126.44 2wss s LYS 74 Ca 0.69 1.96 0.08 0.00 -1.01 0.00 0.00 55.97 57.68 2wss s LYS 74 Cb -0.74 -3.26 -0.02 0.00 -1.01 0.00 0.00 37.83 32.80 2wss s LYS 74 CO 0.52 -0.28 -0.26 0.08 0.51 0.00 0.00 175.35 175.92 2wss s VAL 75 N 0.63 2.04 -0.26 3.17 1.01 0.30 -1.28 120.40 126.02 2wss s VAL 75 Ca 0.59 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 61.48 2wss s VAL 75 Cb -0.34 -1.69 0.05 0.00 0.00 0.00 0.00 36.38 34.40 2wss s VAL 75 CO 0.33 0.58 -0.10 -0.22 0.00 0.00 0.00 175.10 175.69 2wss s LEU 76 N -0.60 3.36 0.12 3.92 1.98 -1.16 -1.16 118.68 125.15 2wss s LEU 76 Ca 0.10 -1.25 -0.31 0.00 -2.89 0.00 0.00 54.13 49.77 2wss s LEU 76 Cb -0.10 -1.58 -0.09 0.00 0.66 0.00 0.00 46.19 45.08 2wss s LEU 76 CO -0.01 -0.18 1.56 -0.62 -1.89 0.00 0.00 176.35 175.22 2wss s ASP 77 N 1.17 6.64 0.00 3.68 -1.08 -1.24 -0.62 116.67 125.22 2wss s ASP 77 Ca -0.06 2.51 0.26 0.00 -0.52 0.00 0.00 52.55 54.75 2wss s ASP 77 Cb -0.19 -2.58 0.78 0.00 -1.46 0.00 0.00 42.92 39.47 2wss s ASP 77 CO -0.05 -0.81 1.60 -1.54 0.52 0.00 0.00 175.17 174.88 2wss n SER 78 N 4.51 0.47 -0.24 -0.34 3.41 -0.06 -4.49 113.62 116.88 2wss n SER 78 Ca 0.14 -0.24 -0.03 0.00 -0.26 0.00 0.00 58.87 58.48 2wss n SER 78 Cb 0.40 0.04 -0.01 0.00 -0.26 0.00 0.00 64.21 64.38 2wss n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wss n GLY 79 N 1.45 0.56 3.81 5.00 0.00 -1.26 -5.00 105.19 109.75 2wss n GLY 79 Ca 0.08 -0.92 -0.05 0.00 0.00 0.00 0.00 46.02 45.13 2wss n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wss s ALA 80 N -2.12 -1.36 1.04 4.61 0.00 -1.26 -5.04 121.76 117.63 2wss s ALA 80 Ca 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 51.96 51.68 2wss s ALA 80 Cb 0.00 0.72 0.08 0.00 0.00 0.00 0.00 23.12 23.93 2wss s ALA 80 CO 0.00 -1.04 0.38 -2.30 0.00 0.00 0.00 175.76 172.80 2wss n PRO 81 N -0.52 -1.00 -1.67 0.00 -0.02 -1.24 0.13 135.00 130.69 2wss n PRO 81 Ca -0.05 -0.60 -0.46 0.00 -2.02 0.00 0.00 63.50 60.37 2wss n PRO 81 Cb 0.60 -0.47 -0.04 0.00 -0.02 0.00 0.00 33.50 33.57 2wss n PRO 81 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wss n ILE 82 N -2.88 0.02 -5.18 4.25 5.41 -1.26 -4.41 119.36 115.31 2wss n ILE 82 Ca 0.05 -0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.50 2wss n ILE 82 Cb 0.18 -1.54 -0.16 0.00 -0.71 0.00 0.00 39.64 37.41 2wss n ILE 82 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2wss s ARG 83 N 1.02 2.10 0.09 0.38 0.52 -1.26 -0.68 118.95 121.12 2wss s ARG 83 Ca 0.79 -0.84 0.03 0.00 -0.52 0.00 0.00 55.73 55.19 2wss s ARG 83 Cb -0.68 -1.92 -0.04 0.00 0.52 0.00 0.00 34.95 32.83 2wss s ARG 83 CO 0.38 0.45 -0.09 0.96 0.02 0.00 0.00 175.30 177.02 2wss s ILE 84 N -0.38 0.82 0.76 1.52 -5.25 0.02 -4.72 121.20 113.98 2wss s ILE 84 Ca 0.04 -1.61 -0.13 0.00 -0.99 0.00 0.00 60.65 57.97 2wss s ILE 84 Cb -0.11 -1.30 0.06 0.00 2.95 0.00 0.00 42.46 44.06 2wss s ILE 84 CO 0.01 -0.60 1.13 -2.84 -1.79 0.00 0.00 174.94 170.85 2wss s PRO 85 N -2.81 2.12 0.23 0.37 0.02 -1.26 -1.07 135.00 132.61 2wss s PRO 85 Ca 0.04 1.44 -0.14 0.00 0.02 0.00 0.00 61.00 62.36 2wss s PRO 85 Cb -0.02 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.64 2wss s PRO 85 CO -0.01 -1.79 0.50 0.14 -0.33 0.00 0.00 177.00 175.51 2wss s VAL 86 N -2.50 0.01 0.00 3.83 -7.23 -1.10 -4.82 120.40 108.59 2wss s VAL 86 Ca 0.67 -1.25 0.00 0.00 -1.81 0.00 0.00 61.98 59.58 2wss s VAL 86 Cb -0.22 -2.04 0.00 0.00 0.56 0.00 0.00 36.38 34.68 2wss s VAL 86 CO 0.50 -0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.86 2wss n GLY 87 N -0.37 -2.29 0.17 2.32 0.00 -1.26 -4.58 105.19 99.18 2wss n GLY 87 Ca -0.04 -2.18 0.13 0.00 0.00 0.00 0.00 46.02 43.93 2wss n GLY 87 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wss h PRO 88 N 3.10 0.00 0.00 1.61 0.11 -1.99 -1.96 132.00 132.87 2wss h PRO 88 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2wss h PRO 88 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2wss h PRO 88 CO 0.00 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.18 2wss n GLU 89 N -2.39 0.76 -0.04 1.05 4.71 -1.26 -2.55 120.64 120.91 2wss n GLU 89 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.16 57.01 2wss n GLU 89 Cb 0.14 -1.48 -0.14 0.00 -1.01 0.00 0.00 31.44 28.96 2wss n GLU 89 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 2wss n THR 90 N -0.98 1.61 -1.66 2.62 -2.24 -0.74 -4.73 114.28 108.17 2wss n THR 90 Ca 0.17 -0.73 -0.60 0.00 -2.27 0.00 0.00 64.05 60.63 2wss n THR 90 Cb 0.08 -1.23 -0.08 0.00 -2.10 0.00 0.00 70.33 66.99 2wss n THR 90 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2wss n LEU 91 N -3.17 1.96 0.00 3.22 4.77 -1.06 0.17 117.00 122.90 2wss n LEU 91 Ca -0.29 1.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.70 2wss n LEU 91 Cb 1.06 -1.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2wss n LEU 91 CO 0.41 -0.58 0.00 0.61 -1.33 0.00 0.00 177.39 176.51 2wss n GLY 92 N 4.63 3.20 3.95 -0.72 0.00 -1.11 -4.83 105.19 110.31 2wss n GLY 92 Ca 0.31 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.10 2wss n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wss s ARG 93 N -0.87 2.62 -0.31 1.61 1.81 0.13 -4.93 118.95 119.01 2wss s ARG 93 Ca 0.00 -0.45 -0.01 0.00 -1.72 0.00 0.00 55.73 53.55 2wss s ARG 93 Cb 0.00 -2.38 0.10 0.00 -0.45 0.00 0.00 34.95 32.22 2wss s ARG 93 CO 0.00 -0.76 0.09 0.42 -0.68 0.00 0.00 175.30 174.37 2wss s ILE 94 N -2.89 0.95 0.07 1.52 1.01 -1.26 -1.57 121.20 119.03 2wss s ILE 94 Ca 0.56 -1.44 0.01 0.00 0.00 0.00 0.00 60.65 59.78 2wss s ILE 94 Cb -0.10 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 2wss s ILE 94 CO 0.41 -0.66 0.21 0.00 0.00 0.00 0.00 174.94 174.89 2wss s MET 95 N 1.58 3.39 0.02 2.79 0.23 0.43 0.12 119.30 127.86 2wss s MET 95 Ca 0.10 -0.49 -0.00 0.00 -1.03 0.00 0.00 55.69 54.27 2wss s MET 95 Cb -0.17 -3.00 0.01 0.00 -1.53 0.00 0.00 34.83 30.13 2wss s MET 95 CO -0.24 0.59 0.03 0.27 -2.03 0.00 0.00 175.02 173.64 2wss n ASN 96 N 0.19 0.02 -0.01 -1.18 0.23 -0.06 -1.91 115.26 112.54 2wss n ASN 96 Ca -0.06 -1.02 0.11 0.00 -0.53 0.00 0.00 54.58 53.08 2wss n ASN 96 Cb 0.51 -0.02 0.54 0.00 -2.08 0.00 0.00 39.78 38.73 2wss n ASN 96 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 2wss h VAL 97 N -0.68 0.92 -0.52 3.53 3.04 -1.90 -2.14 116.25 118.49 2wss h VAL 97 Ca -0.01 -0.11 -0.10 0.00 -1.01 0.00 0.00 66.70 65.47 2wss h VAL 97 Cb 0.03 0.58 -0.06 0.00 -2.01 0.00 0.00 31.29 29.83 2wss h VAL 97 CO 0.01 0.06 0.10 2.30 -1.01 0.00 0.00 177.57 179.02 2wss n ILE 98 N -4.47 2.67 -0.09 3.17 -5.35 -1.26 -4.77 119.36 109.27 2wss n ILE 98 Ca 0.07 -1.77 0.00 0.00 -0.27 0.00 0.00 62.75 60.78 2wss n ILE 98 Cb 0.31 -0.31 0.00 0.00 -1.74 0.00 0.00 39.64 37.91 2wss n ILE 98 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wss n GLY 99 N -0.18 1.43 3.73 3.28 0.00 -0.81 -4.78 105.19 107.86 2wss n GLY 99 Ca 0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 2wss n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wss s GLU 100 N -0.48 4.29 0.20 1.61 2.02 -1.26 -4.69 118.70 120.39 2wss s GLU 100 Ca 0.00 2.21 -0.30 0.00 0.02 0.00 0.00 54.97 56.90 2wss s GLU 100 Cb 0.00 -3.18 -0.08 0.00 0.10 0.00 0.00 34.13 30.97 2wss s GLU 100 CO 0.00 -0.45 1.12 -2.14 0.02 0.00 0.00 175.26 173.81 2wss s PRO 101 N 0.52 4.58 -0.07 0.39 0.02 -1.26 -0.88 135.00 138.30 2wss s PRO 101 Ca 0.63 1.77 0.10 0.00 0.02 0.00 0.00 61.00 63.52 2wss s PRO 101 Cb -0.40 -3.25 0.16 0.00 0.02 0.00 0.00 34.50 31.03 2wss s PRO 101 CO 0.35 0.07 1.05 0.44 -0.33 0.00 0.00 177.00 178.58 2wss n ILE 102 N 2.15 1.27 0.21 2.83 -5.35 0.12 -4.56 119.36 116.03 2wss n ILE 102 Ca 0.02 -1.48 0.08 0.00 -0.27 0.00 0.00 62.75 61.11 2wss n ILE 102 Cb 0.46 0.13 0.25 0.00 -1.74 0.00 0.00 39.64 38.73 2wss n ILE 102 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2wss n ASP 103 N -0.90 3.05 -1.28 7.28 5.75 -1.22 -4.93 116.55 124.30 2wss n ASP 103 Ca 0.09 -2.05 -0.15 0.00 -0.01 0.00 0.00 54.79 52.66 2wss n ASP 103 Cb 0.54 -0.39 -0.06 0.00 -1.03 0.00 0.00 41.12 40.18 2wss n ASP 103 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2wss n GLU 104 N 1.05 -1.48 -1.46 0.11 1.02 -1.26 -4.82 120.64 113.81 2wss n GLU 104 Ca 0.18 0.94 -0.32 0.00 -0.02 0.00 0.00 57.16 57.94 2wss n GLU 104 Cb 0.50 -5.24 0.07 0.00 -0.02 0.00 0.00 31.44 26.75 2wss n GLU 104 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2wss n ARG 105 N -1.70 2.86 0.00 3.49 1.74 -1.26 -5.04 116.66 116.74 2wss n ARG 105 Ca -0.15 -3.46 0.00 0.00 -0.77 0.00 0.00 57.85 53.47 2wss n ARG 105 Cb 0.55 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.71 2wss n ARG 105 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wss n GLY 106 N -0.89 -0.70 3.74 -0.13 0.00 -1.26 -4.91 105.19 101.04 2wss n GLY 106 Ca 0.59 -1.34 -0.23 0.00 0.00 0.00 0.00 46.02 45.03 2wss n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wss s PRO 107 N 0.00 2.65 -0.83 1.61 0.05 -1.26 -4.74 135.00 132.49 2wss s PRO 107 Ca 0.00 -1.17 -0.21 0.00 0.05 0.00 0.00 61.00 59.67 2wss s PRO 107 Cb 0.00 -2.41 0.10 0.00 0.05 0.00 0.00 34.50 32.23 2wss s PRO 107 CO 0.00 0.40 1.10 0.42 0.05 0.00 0.00 177.00 178.97 2wss s ILE 108 N -2.12 4.46 -1.02 0.56 1.01 -1.26 -4.96 121.20 117.86 2wss s ILE 108 Ca 0.32 -0.96 -0.23 0.00 0.00 0.00 0.00 60.65 59.78 2wss s ILE 108 Cb -0.08 -4.78 0.04 0.00 0.01 0.00 0.00 42.46 37.66 2wss s ILE 108 CO 0.22 -1.54 1.49 -1.59 0.00 0.00 0.00 174.94 173.52 2wss s LYS 109 N 3.55 3.54 0.08 2.79 -2.85 -1.26 -4.95 119.74 120.64 2wss s LYS 109 Ca 0.30 -1.09 0.04 0.00 -1.00 0.00 0.00 55.97 54.22 2wss s LYS 109 Cb -0.09 -5.35 -0.03 0.00 -2.06 0.00 0.00 37.83 30.30 2wss s LYS 109 CO -0.01 -2.28 -0.11 0.99 0.10 0.00 0.00 175.35 174.03 2wss s THR 110 N 5.26 0.98 -0.01 3.79 2.01 -1.26 -4.90 115.64 121.51 2wss s THR 110 Ca 0.48 -1.46 -0.22 0.00 0.31 0.00 0.00 61.69 60.80 2wss s THR 110 Cb -0.00 -1.17 -0.14 0.00 0.01 0.00 0.00 72.50 71.19 2wss s THR 110 CO -0.09 -0.41 1.00 0.11 -0.69 0.00 0.00 174.62 174.54 2wss h LYS 111 N 3.93 -0.50 -6.83 4.92 1.57 -1.92 -3.46 116.57 114.29 2wss h LYS 111 Ca -0.38 0.03 -0.50 0.00 -1.87 0.00 0.00 60.65 57.93 2wss h LYS 111 Cb 1.19 0.11 0.02 0.00 0.08 0.00 0.00 32.23 33.63 2wss h LYS 111 CO 0.47 -0.19 0.46 -0.65 -0.57 0.00 0.00 179.45 178.97 2wss s GLN 112 N -4.11 4.58 0.45 3.15 1.11 -1.26 -5.03 119.66 118.54 2wss s GLN 112 Ca -0.12 1.76 0.03 0.00 0.01 0.00 0.00 55.36 57.04 2wss s GLN 112 Cb 0.01 -3.11 -0.03 0.00 -1.01 0.00 0.00 33.01 28.87 2wss s GLN 112 CO 0.44 0.17 0.03 -0.06 0.01 0.00 0.00 175.29 175.88 2wss s PHE 113 N -1.23 2.00 0.00 0.91 2.99 -1.26 -2.71 117.98 118.68 2wss s PHE 113 Ca 0.46 -0.96 -0.26 0.00 0.00 0.00 0.00 56.93 56.18 2wss s PHE 113 Cb -0.31 -1.53 0.06 0.00 0.00 0.00 0.00 43.02 41.24 2wss s PHE 113 CO 0.39 0.15 0.58 0.00 -0.00 0.00 0.00 175.22 176.34 2wss s ALA 114 N -2.95 -1.49 0.09 5.36 0.00 -0.23 -4.86 121.76 117.69 2wss s ALA 114 Ca 0.18 0.90 -0.26 0.00 0.00 0.00 0.00 51.96 52.78 2wss s ALA 114 Cb 0.04 0.20 -0.06 0.00 0.00 0.00 0.00 23.12 23.30 2wss s ALA 114 CO 0.10 -0.43 0.81 0.00 0.00 0.00 0.00 175.76 176.24 2wss s ALA 115 N -1.80 3.37 0.17 0.00 0.00 -1.26 -0.80 121.76 121.43 2wss s ALA 115 Ca -0.09 0.37 -0.06 0.00 0.00 0.00 0.00 51.96 52.17 2wss s ALA 115 Cb -0.01 -3.04 0.03 0.00 0.00 0.00 0.00 23.12 20.10 2wss s ALA 115 CO 0.04 0.11 1.47 -0.84 0.00 0.00 0.00 175.76 176.54 2wss h ILE 116 N 3.87 1.30 -4.26 0.00 3.07 -1.23 -3.43 117.51 116.83 2wss h ILE 116 Ca -0.45 -1.76 -0.49 0.00 1.55 0.00 0.00 64.86 63.72 2wss h ILE 116 Cb 1.21 1.70 0.05 0.00 -0.27 0.00 0.00 36.82 39.50 2wss h ILE 116 CO 0.70 0.56 0.39 -1.00 -1.05 0.00 0.00 178.15 177.74 2wss s HIS 117 N -4.07 3.33 0.00 0.16 3.76 -1.26 -4.71 115.29 112.50 2wss s HIS 117 Ca -0.09 1.43 0.00 0.00 -0.15 0.00 0.00 55.06 56.25 2wss s HIS 117 Cb 0.11 -2.84 0.00 0.00 1.11 0.00 0.00 32.58 30.96 2wss s HIS 117 CO 0.86 -0.75 0.00 0.00 -0.85 0.00 0.00 174.74 174.00 2wss n ALA 118 N -2.20 0.00 -2.77 -1.40 0.00 -1.26 -5.07 120.51 107.80 2wss n ALA 118 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.17 2wss n ALA 118 Cb 0.54 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.91 2wss n ALA 118 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2wss s GLU 119 N -2.00 3.09 0.38 0.00 2.02 -1.26 -5.03 118.70 115.89 2wss s GLU 119 Ca 0.00 -0.43 -0.25 0.00 0.02 0.00 0.00 54.97 54.31 2wss s GLU 119 Cb 0.00 -2.88 -0.12 0.00 0.10 0.00 0.00 34.13 31.23 2wss s GLU 119 CO 0.00 0.67 0.92 0.00 0.02 0.00 0.00 175.26 176.87 2wss n ALA 120 N 1.47 -0.30 -1.39 5.21 0.00 -1.26 -4.85 120.51 119.39 2wss n ALA 120 Ca -0.15 0.27 -0.49 0.00 0.00 0.00 0.00 53.44 53.07 2wss n ALA 120 Cb 0.53 -2.00 -0.04 0.00 0.00 0.00 0.00 19.45 17.95 2wss n ALA 120 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2wss n PRO 121 N 0.41 0.00 -1.90 0.00 -0.02 -1.26 -4.91 135.00 127.32 2wss n PRO 121 Ca 0.10 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.24 2wss n PRO 121 Cb 0.37 -1.04 0.04 0.00 -0.02 0.00 0.00 33.50 32.84 2wss n PRO 121 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2wss s GLU 122 N -0.86 2.94 0.40 -0.52 0.41 -1.26 -4.91 118.70 114.90 2wss s GLU 122 Ca 0.66 1.48 0.20 0.00 -0.41 0.00 0.00 54.97 56.91 2wss s GLU 122 Cb -0.96 -1.96 1.15 0.00 -1.78 0.00 0.00 34.13 30.58 2wss s GLU 122 CO 0.55 -1.15 1.74 0.35 -0.49 0.00 0.00 175.26 176.26 2wss h PHE 123 N 0.39 0.65 0.00 1.61 3.57 -1.98 0.19 116.94 121.37 2wss h PHE 123 Ca -0.48 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.04 2wss h PHE 123 Cb 1.25 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.81 2wss h PHE 123 CO 0.53 0.01 0.00 1.33 -2.23 0.00 0.00 178.31 177.95 2wss n VAL 124 N -4.66 0.15 0.94 1.41 0.24 -1.26 -3.01 118.33 112.13 2wss n VAL 124 Ca 0.27 0.01 0.11 0.00 -2.04 0.00 0.00 64.34 62.69 2wss n VAL 124 Cb 0.97 -0.56 0.03 0.00 -1.47 0.00 0.00 33.84 32.80 2wss n VAL 124 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2wss n GLU 125 N -1.56 0.04 -2.46 7.34 1.02 0.65 -4.93 120.64 120.74 2wss n GLU 125 Ca 0.07 -0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.79 2wss n GLU 125 Cb 0.33 -1.51 -0.04 0.00 -0.02 0.00 0.00 31.44 30.20 2wss n GLU 125 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2wss s MET 126 N -3.03 4.55 0.24 3.49 -1.94 -1.17 -2.39 119.30 119.06 2wss s MET 126 Ca 0.08 1.77 -0.30 0.00 -1.71 0.00 0.00 55.69 55.54 2wss s MET 126 Cb 0.16 -3.27 -0.09 0.00 2.01 0.00 0.00 34.83 33.65 2wss s MET 126 CO 0.80 0.01 0.95 0.45 -0.01 0.00 0.00 175.02 177.22 2wss s SER 127 N -0.01 7.64 0.00 3.03 0.15 -0.87 -4.86 113.70 118.78 2wss s SER 127 Ca 0.51 1.96 0.26 0.00 0.70 0.00 0.00 55.95 59.37 2wss s SER 127 Cb -0.30 -2.61 0.52 0.00 -1.71 0.00 0.00 66.02 61.92 2wss s SER 127 CO 0.35 0.15 1.45 1.33 1.20 0.00 0.00 173.24 177.72 2wss n VAL 128 N 1.50 0.00 -3.23 4.45 0.24 -1.26 -4.92 118.33 115.11 2wss n VAL 128 Ca -0.02 -0.39 -0.36 0.00 -2.04 0.00 0.00 64.34 61.53 2wss n VAL 128 Cb 0.47 1.10 -0.06 0.00 -1.47 0.00 0.00 33.84 33.88 2wss n VAL 128 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2wss s GLU 129 N -2.02 4.14 -0.20 7.34 0.41 -1.26 -5.06 118.70 122.05 2wss s GLU 129 Ca 0.32 0.70 0.01 0.00 -0.41 0.00 0.00 54.97 55.59 2wss s GLU 129 Cb 0.20 -2.96 0.03 0.00 -1.78 0.00 0.00 34.13 29.62 2wss s GLU 129 CO 0.32 0.47 -0.18 -0.65 -0.49 0.00 0.00 175.26 174.73 2wss s GLN 130 N -1.83 2.84 0.07 1.61 -0.21 -1.26 -5.03 119.66 115.86 2wss s GLN 130 Ca 0.39 -0.93 0.01 0.00 0.02 0.00 0.00 55.36 54.84 2wss s GLN 130 Cb -0.16 -2.64 -0.04 0.00 1.00 0.00 0.00 33.01 31.16 2wss s GLN 130 CO 0.20 -0.28 -0.05 -1.83 -2.12 0.00 0.00 175.29 171.20 2wss s GLU 131 N 1.25 0.70 -0.20 2.91 -1.05 -1.26 -4.90 118.70 116.16 2wss s GLU 131 Ca 0.02 -1.21 -0.25 0.00 -0.15 0.00 0.00 54.97 53.38 2wss s GLU 131 Cb -0.14 -0.05 -0.01 0.00 -0.44 0.00 0.00 34.13 33.49 2wss s GLU 131 CO -0.11 -0.05 0.83 -1.50 0.95 0.00 0.00 175.26 175.38 2wss s ILE 132 N -3.42 4.86 -0.23 1.83 1.10 -1.26 -1.15 121.20 122.93 2wss s ILE 132 Ca 0.07 1.61 -0.29 0.00 -0.51 0.00 0.00 60.65 61.53 2wss s ILE 132 Cb 0.04 -4.13 -0.02 0.00 0.15 0.00 0.00 42.46 38.50 2wss s ILE 132 CO -0.06 -0.02 1.54 -0.22 -2.11 0.00 0.00 174.94 174.07 2wss s LEU 133 N 2.44 3.92 0.13 8.50 2.96 -0.75 -4.79 118.68 131.09 2wss s LEU 133 Ca 0.37 1.55 -0.27 0.00 -0.22 0.00 0.00 54.13 55.56 2wss s LEU 133 Cb -0.16 -3.53 -0.07 0.00 0.50 0.00 0.00 46.19 42.93 2wss s LEU 133 CO 0.10 -1.19 0.83 -0.69 -1.32 0.00 0.00 176.35 174.08 2wss s VAL 134 N 4.92 4.46 -0.36 1.68 1.01 -1.26 -4.41 120.40 126.44 2wss s VAL 134 Ca 0.68 1.80 0.20 0.00 0.00 0.00 0.00 61.98 64.65 2wss s VAL 134 Cb -0.23 -4.19 -0.28 0.00 0.00 0.00 0.00 36.38 31.68 2wss s VAL 134 CO 0.27 0.44 0.59 0.35 0.00 0.00 0.00 175.10 176.75 2wss n THR 135 N 2.16 0.00 -0.82 3.92 -2.24 -1.26 -4.71 114.28 111.33 2wss n THR 135 Ca -0.03 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 2wss n THR 135 Cb 0.49 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 2wss n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wss n GLY 136 N 1.39 0.51 3.68 3.38 0.00 -1.26 -4.76 105.19 108.12 2wss n GLY 136 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 2wss n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wss s ILE 137 N -2.47 5.07 0.09 -0.61 1.01 -1.26 -2.17 121.20 120.86 2wss s ILE 137 Ca 0.00 1.18 -0.20 0.00 0.00 0.00 0.00 60.65 61.62 2wss s ILE 137 Cb 0.00 -3.93 -0.09 0.00 0.01 0.00 0.00 42.46 38.44 2wss s ILE 137 CO 0.00 0.19 1.67 0.11 0.00 0.00 0.00 174.94 176.90 2wss h LYS 138 N 7.17 0.24 -0.12 2.79 1.57 -1.88 -1.57 116.57 124.76 2wss h LYS 138 Ca -0.35 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.44 2wss h LYS 138 Cb 1.16 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.37 2wss h LYS 138 CO 0.76 0.27 -0.22 0.28 -0.57 0.00 0.00 179.45 179.98 2wss h VAL 139 N 0.15 0.46 0.34 0.50 2.07 -1.92 -0.71 116.25 117.12 2wss h VAL 139 Ca 0.06 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 2wss h VAL 139 Cb 0.11 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2wss h VAL 139 CO -0.01 0.00 -0.16 0.58 0.02 0.00 0.00 177.57 178.00 2wss h VAL 140 N -0.29 0.62 -0.69 2.57 2.07 -1.86 -2.77 116.25 115.91 2wss h VAL 140 Ca 0.10 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 67.05 2wss h VAL 140 Cb 0.43 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 2wss h VAL 140 CO -0.29 0.10 0.45 0.44 0.02 0.00 0.00 177.57 178.30 2wss h ASP 141 N -0.81 0.75 0.11 0.57 3.32 -1.24 -0.99 116.42 118.12 2wss h ASP 141 Ca -0.05 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 2wss h ASP 141 Cb 0.52 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2wss h ASP 141 CO 0.08 0.53 -0.05 0.25 -1.72 0.00 0.00 179.24 178.33 2wss h LEU 142 N 0.88 -0.12 0.00 1.55 5.85 -1.20 -3.40 115.31 118.87 2wss h LEU 142 Ca 0.26 -0.43 -0.37 0.00 0.84 0.00 0.00 57.88 58.18 2wss h LEU 142 Cb -0.03 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 40.97 2wss h LEU 142 CO -0.07 0.50 -2.36 0.18 -0.34 0.00 0.00 178.44 176.36 2wss n LEU 143 N -4.85 0.29 -3.09 2.25 4.77 -1.04 -4.73 117.00 110.60 2wss n LEU 143 Ca -0.07 0.01 -0.19 0.00 -0.03 0.00 0.00 56.01 55.73 2wss n LEU 143 Cb 0.27 0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.70 2wss n LEU 143 CO 0.24 0.53 -0.15 0.00 -1.33 0.00 0.00 177.39 176.68 2wss n ALA 144 N -2.78 1.49 -1.96 -1.18 0.00 -0.48 -4.40 120.51 111.20 2wss n ALA 144 Ca -0.33 -2.96 -0.41 0.00 0.00 0.00 0.00 53.44 49.74 2wss n ALA 144 Cb 1.14 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 19.61 2wss n ALA 144 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2wss s PRO 145 N -1.17 4.39 0.29 0.00 0.02 -0.58 -4.69 135.00 133.26 2wss s PRO 145 Ca 0.35 2.07 -0.29 0.00 0.02 0.00 0.00 61.00 63.15 2wss s PRO 145 Cb 0.24 -3.18 -0.10 0.00 0.02 0.00 0.00 34.50 31.49 2wss s PRO 145 CO -0.12 -0.23 1.26 0.71 -0.33 0.00 0.00 177.00 178.29 2wss s TYR 146 N -0.09 3.23 -0.12 6.54 2.02 -1.26 -4.77 117.35 122.90 2wss s TYR 146 Ca 0.55 1.43 -0.11 0.00 -0.37 0.00 0.00 57.07 58.57 2wss s TYR 146 Cb -0.37 -3.57 -0.05 0.00 -0.40 0.00 0.00 41.96 37.58 2wss s TYR 146 CO 0.40 -1.56 0.24 0.00 -1.57 0.00 0.00 175.55 173.06 2wss s ALA 147 N -0.82 3.73 -0.11 3.71 0.00 -1.26 -1.80 121.76 125.21 2wss s ALA 147 Ca 0.50 -0.50 -0.37 0.00 0.00 0.00 0.00 51.96 51.58 2wss s ALA 147 Cb -0.37 -2.21 -0.15 0.00 0.00 0.00 0.00 23.12 20.40 2wss s ALA 147 CO 0.46 0.38 1.69 1.63 0.00 0.00 0.00 175.76 179.92 2wss n LYS 148 N 2.60 1.53 -1.10 0.00 5.02 -0.30 0.15 118.16 126.06 2wss n LYS 148 Ca -0.16 0.56 -0.03 0.00 -2.02 0.00 0.00 58.31 56.66 2wss n LYS 148 Cb 0.53 -2.28 -0.01 0.00 -0.02 0.00 0.00 35.03 33.24 2wss n LYS 148 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wss n GLY 149 N 3.85 0.64 3.98 0.72 0.00 -1.25 -4.63 105.19 108.50 2wss n GLY 149 Ca 0.23 -0.63 -0.20 0.00 0.00 0.00 0.00 46.02 45.42 2wss n GLY 149 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wss s GLY 150 N -2.70 1.73 -0.09 -0.02 0.00 0.12 -4.05 107.32 102.32 2wss s GLY 150 Ca 0.00 -1.38 -0.04 0.00 0.00 0.00 0.00 44.72 43.30 2wss s GLY 150 CO 0.00 -1.20 0.06 0.54 0.00 0.00 0.00 173.10 172.49 2wss s LYS 151 N -4.45 3.15 -0.11 2.90 3.01 -1.26 -1.08 119.74 121.89 2wss s LYS 151 Ca 0.51 -0.32 0.02 0.00 -1.01 0.00 0.00 55.97 55.18 2wss s LYS 151 Cb -0.10 -2.94 0.01 0.00 -1.01 0.00 0.00 37.83 33.79 2wss s LYS 151 CO 0.35 0.73 -0.18 0.42 0.51 0.00 0.00 175.35 177.18 2wss s ILE 152 N -0.96 1.71 0.04 2.17 1.09 0.11 -0.52 121.20 124.83 2wss s ILE 152 Ca 0.15 -0.78 -0.30 0.00 -1.10 0.00 0.00 60.65 58.62 2wss s ILE 152 Cb -0.12 -1.53 -0.04 0.00 -1.06 0.00 0.00 42.46 39.71 2wss s ILE 152 CO 0.04 0.48 0.98 -0.83 -0.10 0.00 0.00 174.94 175.51 2wss s GLY 153 N 0.85 2.92 -0.24 6.18 0.00 -0.52 0.06 107.32 116.58 2wss s GLY 153 Ca -0.08 0.56 0.02 0.00 0.00 0.00 0.00 44.72 45.22 2wss s GLY 153 CO -0.00 1.63 -0.11 -2.27 0.00 0.00 0.00 173.10 172.35 2wss s LEU 154 N 0.70 2.98 0.38 0.66 2.96 -0.44 -1.23 118.68 124.69 2wss s LEU 154 Ca 0.51 -1.19 0.08 0.00 -0.22 0.00 0.00 54.13 53.30 2wss s LEU 154 Cb -0.22 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 2wss s LEU 154 CO 0.29 -0.16 0.28 -0.36 -1.32 0.00 0.00 176.35 175.08 2wss s PHE 155 N 1.21 2.75 0.00 5.38 0.40 -0.52 -2.62 117.98 124.58 2wss s PHE 155 Ca -0.06 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 55.84 2wss s PHE 155 Cb -0.18 -1.95 0.00 0.00 0.51 0.00 0.00 43.02 41.40 2wss s PHE 155 CO -0.07 0.09 0.00 0.41 0.70 0.00 0.00 175.22 176.35 2wss n GLY 156 N -1.39 -1.41 0.00 4.36 0.00 -1.26 -2.28 105.19 103.21 2wss n GLY 156 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.78 2wss n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wss n GLY 157 N 0.21 1.36 3.88 -0.02 0.00 -1.26 -4.90 105.19 104.46 2wss n GLY 157 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2wss n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wss s ALA 158 N -3.95 3.58 -0.84 4.61 0.00 -1.26 -4.61 121.76 119.30 2wss s ALA 158 Ca 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 51.96 51.60 2wss s ALA 158 Cb 0.00 -2.40 -0.02 0.00 0.00 0.00 0.00 23.12 20.70 2wss s ALA 158 CO 0.00 0.46 0.75 0.41 0.00 0.00 0.00 175.76 177.38 2wss n GLY 159 N -0.29 -1.22 0.00 0.00 0.00 -1.26 -4.87 105.19 97.55 2wss n GLY 159 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.53 2wss n GLY 159 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wss n VAL 160 N -2.31 0.00 0.00 1.61 0.24 -1.26 -4.80 118.33 111.81 2wss n VAL 160 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 2wss n VAL 160 Cb 0.55 0.41 0.00 0.00 -1.47 0.00 0.00 33.84 33.33 2wss n VAL 160 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wss n GLY 161 N 0.00 1.04 0.35 7.63 0.00 -1.26 -3.89 105.19 109.06 2wss n GLY 161 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2wss n GLY 161 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wss h LYS 162 N 0.87 -0.03 -0.41 1.61 3.64 -1.94 0.85 116.57 121.17 2wss h LYS 162 Ca 0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 2wss h LYS 162 Cb 0.00 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2wss h LYS 162 CO 0.00 -0.02 -0.01 1.15 -2.27 0.00 0.00 179.45 178.31 2wss h THR 163 N -0.03 1.26 -0.39 1.00 2.02 -1.95 -2.33 112.91 112.49 2wss h THR 163 Ca 0.37 -1.03 -0.15 0.00 0.77 0.00 0.00 66.41 66.38 2wss h THR 163 Cb 0.62 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 2wss h THR 163 CO -0.91 0.35 -0.33 0.58 0.37 0.00 0.00 175.52 175.59 2wss h VAL 164 N 0.56 1.27 -0.68 3.16 2.07 -1.41 -1.78 116.25 119.45 2wss h VAL 164 Ca 0.11 -1.50 0.05 0.00 0.82 0.00 0.00 66.70 66.19 2wss h VAL 164 Cb 0.49 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 2wss h VAL 164 CO 0.02 0.50 0.45 0.25 0.02 0.00 0.00 177.57 178.81 2wss h LEU 165 N 0.73 0.63 0.64 2.57 5.85 0.74 0.17 115.31 126.66 2wss h LEU 165 Ca 0.07 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2wss h LEU 165 Cb 0.92 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.81 2wss h LEU 165 CO 0.08 0.42 -0.31 0.40 -0.34 0.00 0.00 178.44 178.69 2wss h ILE 166 N 0.73 0.00 -0.82 4.05 2.04 -1.32 -1.66 117.51 120.52 2wss h ILE 166 Ca 0.29 -0.27 0.20 0.00 1.00 0.00 0.00 64.86 66.08 2wss h ILE 166 Cb 0.21 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.15 2wss h ILE 166 CO -0.09 0.00 0.14 0.24 0.00 0.00 0.00 178.15 178.45 2wss h MET 167 N -1.13 0.18 0.00 2.37 2.86 -0.78 0.47 114.93 118.89 2wss h MET 167 Ca -0.09 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.44 2wss h MET 167 Cb 0.66 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 2wss h MET 167 CO 0.15 0.12 -0.50 1.49 1.06 0.00 0.00 176.91 179.23 2wss h GLU 168 N 0.18 0.00 -0.01 1.72 4.57 -0.70 0.30 114.58 120.64 2wss h GLU 168 Ca 0.48 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.66 2wss h GLU 168 Cb 0.91 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.50 2wss h GLU 168 CO -0.64 0.50 -0.01 -0.07 -1.18 0.00 0.00 179.01 177.61 2wss h LEU 169 N 0.00 0.03 -0.77 1.64 3.38 0.26 -1.45 115.31 118.41 2wss h LEU 169 Ca -0.00 -0.43 0.16 0.00 0.09 0.00 0.00 57.88 57.69 2wss h LEU 169 Cb 0.89 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.53 2wss h LEU 169 CO 0.06 0.45 0.28 0.40 0.09 0.00 0.00 178.44 179.72 2wss h ILE 170 N -0.39 0.59 -0.14 1.22 2.04 0.18 -2.22 117.51 118.79 2wss h ILE 170 Ca 0.00 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 2wss h ILE 170 Cb 0.44 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 2wss h ILE 170 CO 0.00 0.07 0.01 -1.13 0.00 0.00 0.00 178.15 177.11 2wss h ASN 171 N 0.39 0.23 0.03 1.72 -1.24 -0.86 -2.76 115.58 113.08 2wss h ASN 171 Ca 0.43 -0.28 -0.07 0.00 0.71 0.00 0.00 56.30 57.10 2wss h ASN 171 Cb 0.71 -0.06 0.01 0.00 0.73 0.00 0.00 38.32 39.70 2wss h ASN 171 CO -0.45 0.45 -0.29 0.78 -1.29 0.00 0.00 177.43 176.63 2wss h ASN 172 N 0.00 0.21 -0.63 1.15 2.35 -0.96 0.15 115.58 117.86 2wss h ASN 172 Ca 0.04 -0.87 0.13 0.00 -0.55 0.00 0.00 56.30 55.05 2wss h ASN 172 Cb 0.32 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 2wss h ASN 172 CO 0.00 1.06 0.43 0.58 -1.65 0.00 0.00 177.43 177.85 2wss h VAL 173 N -0.61 0.82 0.22 2.81 2.07 -1.53 1.05 116.25 121.07 2wss h VAL 173 Ca -0.04 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 2wss h VAL 173 Cb 1.12 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2wss h VAL 173 CO 0.06 0.05 -0.11 0.00 0.02 0.00 0.00 177.57 177.59 2wss h ALA 174 N 1.69 -0.77 -0.16 1.67 0.00 -1.36 -2.49 119.26 117.85 2wss h ALA 174 Ca 0.30 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.16 2wss h ALA 174 Cb 0.78 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2wss h ALA 174 CO -0.07 -0.74 -0.14 -0.22 0.00 0.00 0.00 179.25 178.08 2wss h LYS 175 N -0.40 -0.06 -0.52 0.00 3.64 0.69 0.45 116.57 120.38 2wss h LYS 175 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2wss h LYS 175 Cb 0.23 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2wss h LYS 175 CO 0.05 -0.04 0.00 0.00 -2.27 0.00 0.00 179.45 177.19 2wss n ALA 176 N -2.90 2.70 0.00 5.00 0.00 0.35 -4.03 120.51 121.63 2wss n ALA 176 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.81 2wss n ALA 176 Cb 0.08 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.52 2wss n ALA 176 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wss n HIS 177 N 0.33 0.00 -1.56 0.00 8.25 -1.10 -5.00 115.22 116.14 2wss n HIS 177 Ca 0.10 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.56 2wss n HIS 177 Cb 0.41 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.52 2wss n HIS 177 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wss n GLY 178 N 0.07 0.82 2.88 -1.41 0.00 0.16 -4.93 105.19 102.78 2wss n GLY 178 Ca 0.00 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 2wss n GLY 178 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wss s GLY 179 N -2.98 0.99 1.09 -0.02 0.00 -0.96 -4.56 107.32 100.88 2wss s GLY 179 Ca 0.01 -0.92 -0.15 0.00 0.00 0.00 0.00 44.72 43.67 2wss s GLY 179 CO 0.02 1.00 1.09 -0.19 0.00 0.00 0.00 173.10 175.02 2wss s TYR 180 N 1.61 1.46 0.01 1.90 4.12 -1.26 -3.23 117.35 121.96 2wss s TYR 180 Ca -0.01 0.82 -0.01 0.00 0.02 0.00 0.00 57.07 57.90 2wss s TYR 180 Cb -0.16 -3.31 -0.01 0.00 -1.52 0.00 0.00 41.96 36.96 2wss s TYR 180 CO -0.07 -3.37 -0.00 -1.12 0.02 0.00 0.00 175.55 171.01 2wss s SER 181 N -3.52 0.11 -0.07 2.29 0.01 -0.91 -2.16 113.70 109.45 2wss s SER 181 Ca 0.67 -0.23 0.02 0.00 1.31 0.00 0.00 55.95 57.72 2wss s SER 181 Cb -0.16 0.07 -0.03 0.00 0.21 0.00 0.00 66.02 66.11 2wss s SER 181 CO 0.58 -0.16 -0.10 -0.69 0.41 0.00 0.00 173.24 173.27 2wss s VAL 182 N -0.75 3.38 -0.21 3.43 1.01 0.21 -1.40 120.40 126.07 2wss s VAL 182 Ca -0.08 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 2wss s VAL 182 Cb -0.05 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 2wss s VAL 182 CO -0.00 0.58 -0.03 0.12 0.00 0.00 0.00 175.10 175.77 2wss s PHE 183 N -0.57 2.98 -0.32 5.22 5.36 -0.58 0.07 117.98 130.13 2wss s PHE 183 Ca 0.08 -0.75 -0.06 0.00 -0.96 0.00 0.00 56.93 55.24 2wss s PHE 183 Cb -0.12 -2.09 0.03 0.00 -0.34 0.00 0.00 43.02 40.50 2wss s PHE 183 CO 0.02 -0.43 0.08 0.00 -1.46 0.00 0.00 175.22 173.43 2wss s ALA 184 N 1.28 3.02 -0.82 11.12 0.00 0.36 -1.21 121.76 135.50 2wss s ALA 184 Ca 0.03 -1.63 -0.18 0.00 0.00 0.00 0.00 51.96 50.18 2wss s ALA 184 Cb -0.14 -2.18 0.13 0.00 0.00 0.00 0.00 23.12 20.93 2wss s ALA 184 CO -0.01 -1.16 0.97 0.20 0.00 0.00 0.00 175.76 175.76 2wss s GLY 185 N 1.43 1.96 -0.65 0.00 0.00 0.11 -1.61 107.32 108.57 2wss s GLY 185 Ca -0.00 -2.66 -0.26 0.00 0.00 0.00 0.00 44.72 41.79 2wss s GLY 185 CO 0.02 1.81 1.13 0.14 0.00 0.00 0.00 173.10 176.21 2wss s VAL 186 N 2.41 4.04 -0.12 1.40 1.01 0.25 -1.38 120.40 128.01 2wss s VAL 186 Ca 0.25 0.37 -0.01 0.00 0.00 0.00 0.00 61.98 62.60 2wss s VAL 186 Cb -0.10 -4.75 0.00 0.00 0.00 0.00 0.00 36.38 31.53 2wss s VAL 186 CO -0.04 -1.50 0.09 0.61 0.00 0.00 0.00 175.10 174.25 2wss n GLY 187 N 5.23 0.77 3.73 4.51 0.00 0.79 -2.90 105.19 117.32 2wss n GLY 187 Ca 0.03 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 2wss n GLY 187 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wss n GLU 188 N -0.91 1.96 -3.08 1.61 4.07 -1.20 -4.36 120.64 118.73 2wss n GLU 188 Ca -0.00 0.70 -0.39 0.00 -0.06 0.00 0.00 57.16 57.41 2wss n GLU 188 Cb 0.51 -2.50 -0.05 0.00 -0.06 0.00 0.00 31.44 29.33 2wss n GLU 188 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2wss s ARG 189 N -2.44 4.42 0.24 5.31 0.52 -1.26 -1.07 118.95 124.67 2wss s ARG 189 Ca 0.64 0.94 -0.06 0.00 -0.52 0.00 0.00 55.73 56.72 2wss s ARG 189 Cb -0.47 -3.34 0.28 0.00 0.52 0.00 0.00 34.95 31.95 2wss s ARG 189 CO 0.56 0.37 1.89 1.15 0.02 0.00 0.00 175.30 179.29 2wss h THR 190 N 4.00 1.16 0.57 0.02 2.02 -1.98 0.20 112.91 118.90 2wss h THR 190 Ca -0.45 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 66.32 2wss h THR 190 Cb 1.20 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 2wss h THR 190 CO 0.69 0.21 -0.51 -0.09 0.37 0.00 0.00 175.52 176.20 2wss h ARG 191 N 1.15 -1.02 0.00 6.66 2.43 -2.00 -2.14 114.38 119.46 2wss h ARG 191 Ca 0.36 0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.59 2wss h ARG 191 Cb -0.01 0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2wss h ARG 191 CO -0.11 -0.68 -0.06 0.93 -1.51 0.00 0.00 179.97 178.54 2wss h GLU 192 N -1.05 0.00 -0.37 0.20 5.08 -1.66 -1.54 114.58 115.24 2wss h GLU 192 Ca -0.07 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 2wss h GLU 192 Cb 0.90 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 2wss h GLU 192 CO -0.03 0.06 0.05 0.78 -1.00 0.00 0.00 179.01 178.87 2wss h GLY 193 N 0.18 0.66 0.61 -3.84 0.00 -0.35 0.55 103.07 100.88 2wss h GLY 193 Ca -0.00 -0.44 0.03 0.00 0.00 0.00 0.00 47.33 46.91 2wss h GLY 193 CO 0.01 0.41 -0.14 -0.57 0.00 0.00 0.00 176.54 176.25 2wss h ASN 194 N 0.45 -0.41 -0.71 0.19 -1.24 -0.66 -1.31 115.58 111.88 2wss h ASN 194 Ca 0.11 0.07 -0.03 0.00 0.71 0.00 0.00 56.30 57.16 2wss h ASN 194 Cb 0.37 0.18 -0.03 0.00 0.73 0.00 0.00 38.32 39.57 2wss h ASN 194 CO 0.01 -0.19 0.35 0.44 -1.29 0.00 0.00 177.43 176.74 2wss h ASP 195 N -0.21 0.93 -0.39 1.15 5.19 -0.88 -1.72 116.42 120.48 2wss h ASP 195 Ca 0.06 -0.13 -0.05 0.00 -0.62 0.00 0.00 57.03 56.29 2wss h ASP 195 Cb 0.29 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.54 2wss h ASP 195 CO -0.16 0.80 0.08 0.25 -3.12 0.00 0.00 179.24 177.09 2wss h LEU 196 N 1.00 0.67 0.28 1.55 5.85 0.24 0.17 115.31 125.07 2wss h LEU 196 Ca 0.25 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2wss h LEU 196 Cb 0.11 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2wss h LEU 196 CO -0.03 0.69 -0.33 0.22 -0.34 0.00 0.00 178.44 178.64 2wss h TYR 197 N 0.69 -0.92 -0.77 1.25 3.20 -0.37 -2.23 116.97 117.82 2wss h TYR 197 Ca 0.15 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.09 2wss h TYR 197 Cb 0.30 0.37 -0.06 0.00 1.54 0.00 0.00 36.73 38.88 2wss h TYR 197 CO 0.01 -0.43 0.46 0.45 -1.64 0.00 0.00 178.16 177.02 2wss h HIS 198 N -0.62 0.85 -0.96 -3.82 3.86 -0.89 -1.02 115.15 112.55 2wss h HIS 198 Ca -0.03 0.03 0.11 0.00 -1.16 0.00 0.00 60.37 59.31 2wss h HIS 198 Cb 0.55 -0.27 -0.08 0.00 1.06 0.00 0.00 27.41 28.67 2wss h HIS 198 CO -0.23 0.43 0.60 0.93 0.86 0.00 0.00 177.93 180.52 2wss h GLU 199 N 0.85 0.95 -0.23 2.45 5.08 -0.88 0.53 114.58 123.33 2wss h GLU 199 Ca 0.34 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.51 2wss h GLU 199 Cb 0.17 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2wss h GLU 199 CO -0.17 0.63 -0.39 0.52 -1.00 0.00 0.00 179.01 178.60 2wss h MET 200 N 0.98 0.52 0.66 2.33 2.86 -0.57 -0.67 114.93 121.04 2wss h MET 200 Ca 0.46 -0.26 -0.03 0.00 -2.06 0.00 0.00 59.70 57.82 2wss h MET 200 Cb 0.41 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.08 2wss h MET 200 CO -0.25 0.83 -0.32 0.82 1.06 0.00 0.00 176.91 179.05 2wss h ILE 201 N 0.43 0.08 -1.18 -1.22 2.04 -0.47 -1.96 117.51 115.24 2wss h ILE 201 Ca 0.04 -0.33 0.34 0.00 1.00 0.00 0.00 64.86 65.91 2wss h ILE 201 Cb 0.87 0.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 2wss h ILE 201 CO 0.07 0.01 0.87 -0.33 0.00 0.00 0.00 178.15 178.78 2wss h GLU 202 N -1.20 0.00 0.05 2.37 4.39 0.06 -2.36 114.58 117.90 2wss h GLU 202 Ca -0.09 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.27 2wss h GLU 202 Cb 0.70 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.31 2wss h GLU 202 CO 0.15 0.00 -1.95 -1.13 -1.16 0.00 0.00 179.01 174.92 2wss n SER 203 N -4.11 1.33 0.00 1.42 3.41 -0.27 -5.01 113.62 110.40 2wss n SER 203 Ca 0.25 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 2wss n SER 203 Cb 1.26 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.94 2wss n SER 203 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wss n GLY 204 N 1.80 3.18 0.32 5.00 0.00 -0.79 -4.83 105.19 109.86 2wss n GLY 204 Ca -0.27 -0.45 0.21 0.00 0.00 0.00 0.00 46.02 45.52 2wss n GLY 204 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2wss h VAL 205 N 0.00 0.00 -3.62 1.61 -1.51 -1.71 -3.37 116.25 107.65 2wss h VAL 205 Ca 0.00 -0.11 -0.68 0.00 -1.23 0.00 0.00 66.70 64.69 2wss h VAL 205 Cb 0.00 1.09 -0.18 0.00 -2.13 0.00 0.00 31.29 30.08 2wss h VAL 205 CO 0.00 0.00 -0.70 -0.63 -1.23 0.00 0.00 177.57 175.01 2wss s ILE 206 N -4.03 3.66 -0.15 7.19 1.01 -0.86 -1.27 121.20 126.76 2wss s ILE 206 Ca -0.04 -0.70 -0.05 0.00 0.00 0.00 0.00 60.65 59.87 2wss s ILE 206 Cb 0.12 -2.57 0.06 0.00 0.01 0.00 0.00 42.46 40.08 2wss s ILE 206 CO 0.43 0.45 0.08 0.21 0.00 0.00 0.00 174.94 176.11 2wss s ASN 207 N -1.26 2.16 0.00 3.58 3.84 -1.26 -4.29 114.94 117.71 2wss s ASN 207 Ca 0.16 -0.51 0.30 0.00 0.21 0.00 0.00 52.86 53.03 2wss s ASN 207 Cb -0.11 -0.23 1.61 0.00 -0.55 0.00 0.00 41.25 41.97 2wss s ASN 207 CO 0.06 -0.33 2.06 0.18 -2.79 0.00 0.00 177.10 176.27 2wss n LEU 208 N 5.28 0.50 0.00 3.21 4.77 -1.26 -4.38 117.00 125.11 2wss n LEU 208 Ca -0.06 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 2wss n LEU 208 Cb 0.49 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2wss n LEU 208 CO 0.09 0.08 0.00 0.29 -1.33 0.00 0.00 177.39 176.53 2wss n LYS 209 N -0.61 0.00 0.00 3.23 4.76 -1.26 -5.05 118.16 119.23 2wss n LYS 209 Ca 0.22 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 2wss n LYS 209 Cb 0.19 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.38 2wss n LYS 209 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2wss n ASP 210 N 0.00 -1.55 -0.86 4.39 3.85 -1.26 -4.94 116.55 116.17 2wss n ASP 210 Ca 0.00 -0.21 0.07 0.00 -0.71 0.00 0.00 54.79 53.94 2wss n ASP 210 Cb 0.00 0.00 0.21 0.00 -1.35 0.00 0.00 41.12 39.98 2wss n ASP 210 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2wss n ALA 211 N -3.00 2.29 0.61 2.12 0.00 -1.26 -4.57 120.51 116.70 2wss n ALA 211 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 53.44 52.20 2wss n ALA 211 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 18.86 2wss n ALA 211 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wss n THR 212 N 0.79 0.00 -1.75 0.00 -2.24 -1.26 -4.80 114.28 105.02 2wss n THR 212 Ca 0.16 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.54 2wss n THR 212 Cb 0.51 -0.26 0.02 0.00 -2.10 0.00 0.00 70.33 68.50 2wss n THR 212 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2wss n SER 213 N -0.18 3.07 0.00 3.42 7.64 -1.26 -4.85 113.62 121.45 2wss n SER 213 Ca 0.00 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.97 2wss n SER 213 Cb 0.04 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 61.66 2wss n SER 213 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2wss n LYS 214 N -0.32 1.78 -3.30 1.43 5.02 -0.39 -4.80 118.16 117.57 2wss n LYS 214 Ca 0.06 -1.14 -0.06 0.00 -2.02 0.00 0.00 58.31 55.16 2wss n LYS 214 Cb 0.42 -0.93 -0.06 0.00 -0.02 0.00 0.00 35.03 34.44 2wss n LYS 214 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2wss s VAL 215 N -0.66 -0.71 0.27 -0.18 1.01 -1.25 -2.13 120.40 116.75 2wss s VAL 215 Ca 0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 2wss s VAL 215 Cb 0.00 -0.86 -0.09 0.00 0.00 0.00 0.00 36.38 35.42 2wss s VAL 215 CO 0.00 -0.09 1.04 0.00 0.00 0.00 0.00 175.10 176.05 2wss s ALA 216 N 2.63 3.38 -0.15 5.51 0.00 -0.49 -2.77 121.76 129.87 2wss s ALA 216 Ca 0.15 0.80 -0.03 0.00 0.00 0.00 0.00 51.96 52.88 2wss s ALA 216 Cb -0.15 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 2wss s ALA 216 CO -0.17 -0.03 -0.05 -0.51 0.00 0.00 0.00 175.76 175.00 2wss s LEU 217 N -1.36 3.20 -0.15 0.00 1.43 -0.61 -1.52 118.68 119.66 2wss s LEU 217 Ca 0.43 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 2wss s LEU 217 Cb -0.30 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.17 2wss s LEU 217 CO 0.38 0.19 -0.19 -0.69 0.23 0.00 0.00 176.35 176.27 2wss s VAL 218 N 0.25 2.33 -0.06 -1.59 1.01 -0.35 -0.42 120.40 121.57 2wss s VAL 218 Ca -0.04 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.12 2wss s VAL 218 Cb -0.14 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 2wss s VAL 218 CO 0.03 0.53 -0.24 -0.31 0.00 0.00 0.00 175.10 175.11 2wss s TYR 219 N 0.83 2.38 -0.46 5.22 4.12 -0.80 -0.71 117.35 127.92 2wss s TYR 219 Ca -0.06 -0.73 0.03 0.00 0.02 0.00 0.00 57.07 56.33 2wss s TYR 219 Cb -0.15 -1.57 0.13 0.00 -1.52 0.00 0.00 41.96 38.85 2wss s TYR 219 CO -0.01 -0.23 0.24 0.20 0.02 0.00 0.00 175.55 175.77 2wss s GLY 220 N -0.11 1.94 0.91 0.71 0.00 -0.48 -3.76 107.32 106.53 2wss s GLY 220 Ca -0.05 -2.82 -0.12 0.00 0.00 0.00 0.00 44.72 41.73 2wss s GLY 220 CO 0.04 1.35 1.13 1.20 0.00 0.00 0.00 173.10 176.81 2wss s GLN 221 N 0.16 1.13 0.49 2.90 -0.21 -1.26 -0.15 119.66 122.72 2wss s GLN 221 Ca 0.17 0.37 0.33 0.00 0.02 0.00 0.00 55.36 56.25 2wss s GLN 221 Cb -0.25 -1.83 1.53 0.00 1.00 0.00 0.00 33.01 33.46 2wss s GLN 221 CO -0.00 -2.22 1.98 0.52 -2.12 0.00 0.00 175.29 173.45 2wss h MET 222 N -1.52 0.00 -0.01 2.91 2.86 -1.30 -2.10 114.93 115.78 2wss h MET 222 Ca -0.51 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.13 2wss h MET 222 Cb 1.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.98 2wss h MET 222 CO 0.61 0.00 -0.64 0.27 1.06 0.00 0.00 176.91 178.20 2wss n ASN 223 N -2.79 1.57 -4.64 1.22 2.04 -1.26 -4.91 115.26 106.49 2wss n ASN 223 Ca -0.00 -1.26 -0.30 0.00 -0.44 0.00 0.00 54.58 52.58 2wss n ASN 223 Cb 0.19 0.63 0.18 0.00 -2.53 0.00 0.00 39.78 38.25 2wss n ASN 223 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 2wss s GLU 224 N -2.68 0.57 0.71 -3.83 2.02 -0.79 -5.01 118.70 109.70 2wss s GLU 224 Ca 0.15 1.06 -0.09 0.00 0.02 0.00 0.00 54.97 56.11 2wss s GLU 224 Cb 0.17 -1.71 0.05 0.00 0.10 0.00 0.00 34.13 32.74 2wss s GLU 224 CO 0.68 -2.78 1.05 -1.25 0.02 0.00 0.00 175.26 172.98 2wss s PRO 225 N -4.71 2.40 0.22 0.39 0.05 -1.26 -4.81 135.00 127.28 2wss s PRO 225 Ca 0.66 0.02 -0.14 0.00 0.05 0.00 0.00 61.00 61.59 2wss s PRO 225 Cb -0.21 -2.10 0.25 0.00 0.05 0.00 0.00 34.50 32.48 2wss s PRO 225 CO 0.59 -1.19 1.61 -1.35 0.05 0.00 0.00 177.00 176.71 2wss h PRO 226 N -0.65 -0.03 -0.81 0.56 0.11 -1.91 0.77 132.00 130.04 2wss h PRO 226 Ca -0.45 0.00 0.20 0.00 0.11 0.00 0.00 66.00 65.86 2wss h PRO 226 Cb 1.30 0.01 -0.13 0.00 0.11 0.00 0.00 31.00 32.28 2wss h PRO 226 CO 0.63 -0.02 0.14 0.78 -0.21 0.00 0.00 178.00 179.32 2wss h GLY 227 N -0.03 1.11 0.81 -0.55 0.00 -1.89 -0.04 103.07 102.49 2wss h GLY 227 Ca 0.32 0.02 -0.16 0.00 0.00 0.00 0.00 47.33 47.50 2wss h GLY 227 CO -0.71 -0.31 -0.64 0.00 0.00 0.00 0.00 176.54 174.88 2wss h ALA 228 N 1.73 0.07 -0.89 3.60 0.00 -1.04 -2.33 119.26 120.39 2wss h ALA 228 Ca 0.48 -0.58 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2wss h ALA 228 Cb 0.90 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 2wss h ALA 228 CO -0.63 0.37 0.58 0.00 0.00 0.00 0.00 179.25 179.57 2wss h ARG 229 N -0.09 1.14 0.00 0.00 3.08 -1.12 -1.59 114.38 115.81 2wss h ARG 229 Ca -0.08 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 2wss h ARG 229 Cb 1.35 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 31.15 2wss h ARG 229 CO 0.13 0.76 -0.04 0.00 -1.07 0.00 0.00 179.97 179.75 2wss h ALA 230 N 1.34 1.04 -0.01 0.04 0.00 -0.82 -3.04 119.26 117.81 2wss h ALA 230 Ca 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2wss h ALA 230 Cb -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2wss h ALA 230 CO -0.08 0.04 -0.25 0.54 0.00 0.00 0.00 179.25 179.50 2wss n ARG 231 N -3.19 2.40 0.05 0.00 5.12 -0.89 -4.59 116.66 115.56 2wss n ARG 231 Ca -0.01 -0.49 -0.02 0.00 -1.93 0.00 0.00 57.85 55.40 2wss n ARG 231 Cb 0.25 -1.06 0.23 0.00 -1.16 0.00 0.00 32.46 30.72 2wss n ARG 231 CO 0.00 0.00 0.00 -0.24 -1.93 0.00 0.00 177.63 175.46 2wss h VAL 232 N 0.91 1.27 -0.82 1.55 3.04 -1.18 -1.39 116.25 119.63 2wss h VAL 232 Ca 0.00 -1.32 0.03 0.00 -1.01 0.00 0.00 66.70 64.40 2wss h VAL 232 Cb 0.32 1.46 -0.05 0.00 -2.01 0.00 0.00 31.29 31.02 2wss h VAL 232 CO 0.00 0.41 0.53 0.00 -1.01 0.00 0.00 177.57 177.49 2wss h ALA 233 N 1.36 1.08 -0.76 3.17 0.00 -1.81 -1.96 119.26 120.33 2wss h ALA 233 Ca 0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2wss h ALA 233 Cb 0.70 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2wss h ALA 233 CO 0.05 0.35 0.29 -0.07 0.00 0.00 0.00 179.25 179.88 2wss h LEU 234 N 1.03 1.07 -0.07 0.00 3.38 -1.57 0.33 115.31 119.47 2wss h LEU 234 Ca 0.33 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 58.15 2wss h LEU 234 Cb 0.00 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 2wss h LEU 234 CO -0.11 0.96 -0.19 0.74 0.09 0.00 0.00 178.44 179.92 2wss h THR 235 N 1.11 0.53 -0.48 0.22 2.02 -1.06 0.51 112.91 115.76 2wss h THR 235 Ca 0.25 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.50 2wss h THR 235 Cb 0.24 0.53 -0.06 0.00 -1.74 0.00 0.00 68.15 67.11 2wss h THR 235 CO -0.02 0.00 0.15 1.23 0.37 0.00 0.00 175.52 177.25 2wss h GLY 236 N -0.27 0.62 0.12 2.16 0.00 -0.60 -0.71 103.07 104.40 2wss h GLY 236 Ca 0.08 -0.08 0.05 0.00 0.00 0.00 0.00 47.33 47.38 2wss h GLY 236 CO -0.23 -0.01 -0.35 -2.00 0.00 0.00 0.00 176.54 173.96 2wss h LEU 237 N 0.31 -1.08 -0.58 3.11 5.85 0.13 -2.68 115.31 120.38 2wss h LEU 237 Ca 0.23 0.15 0.11 0.00 0.84 0.00 0.00 57.88 59.22 2wss h LEU 237 Cb 0.26 0.45 -0.09 0.00 0.37 0.00 0.00 40.66 41.65 2wss h LEU 237 CO -0.26 -0.38 0.07 0.74 -0.34 0.00 0.00 178.44 178.27 2wss h THR 238 N -0.43 0.60 -0.97 1.05 2.02 0.93 -0.43 112.91 115.69 2wss h THR 238 Ca 0.09 -0.06 0.09 0.00 0.77 0.00 0.00 66.41 67.30 2wss h THR 238 Cb 0.57 0.39 -0.07 0.00 -1.74 0.00 0.00 68.15 67.30 2wss h THR 238 CO -0.36 0.03 0.62 0.58 0.37 0.00 0.00 175.52 176.76 2wss h VAL 239 N 0.19 0.99 -0.17 3.16 2.07 -0.98 -2.26 116.25 119.25 2wss h VAL 239 Ca 0.30 -0.35 -0.18 0.00 0.82 0.00 0.00 66.70 67.29 2wss h VAL 239 Cb 0.46 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 2wss h VAL 239 CO -0.44 0.19 -0.65 0.00 0.02 0.00 0.00 177.57 176.69 2wss h ALA 240 N 1.52 0.56 -0.36 1.67 0.00 -0.80 -3.20 119.26 118.64 2wss h ALA 240 Ca 0.45 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2wss h ALA 240 Cb 0.36 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2wss h ALA 240 CO -0.21 0.71 0.23 0.93 0.00 0.00 0.00 179.25 180.91 2wss h GLU 241 N 0.45 0.45 -0.93 0.00 5.08 -0.58 0.10 114.58 119.14 2wss h GLU 241 Ca -0.01 -0.03 0.26 0.00 -1.00 0.00 0.00 59.36 58.58 2wss h GLU 241 Cb 1.22 -0.10 -0.14 0.00 0.50 0.00 0.00 28.75 30.23 2wss h GLU 241 CO 0.12 0.30 0.38 -0.92 -1.00 0.00 0.00 179.01 177.89 2wss h TYR 242 N 0.46 0.60 -0.06 4.33 3.20 -1.50 0.37 116.97 124.37 2wss h TYR 242 Ca 0.13 0.04 -0.17 0.00 3.14 0.00 0.00 58.73 61.88 2wss h TYR 242 Cb -0.04 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 2wss h TYR 242 CO -0.06 -0.17 -0.70 0.74 -1.64 0.00 0.00 178.16 176.32 2wss h PHE 243 N 0.28 0.42 0.44 -3.82 -1.00 -1.10 -1.11 116.94 111.04 2wss h PHE 243 Ca 0.62 -0.18 -0.02 0.00 2.81 0.00 0.00 57.97 61.20 2wss h PHE 243 Cb 1.31 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 40.81 2wss h PHE 243 CO -0.16 0.91 -0.21 -0.09 -1.61 0.00 0.00 178.31 177.16 2wss h ARG 244 N 0.21 -0.56 -0.32 1.51 2.43 -0.34 -1.35 114.38 115.95 2wss h ARG 244 Ca -0.02 0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.05 2wss h ARG 244 Cb 1.26 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.93 2wss h ARG 244 CO 0.11 -0.38 -0.34 -0.44 -1.51 0.00 0.00 179.97 177.42 2wss h ASP 245 N -1.06 0.85 0.23 -3.80 3.32 -0.38 0.50 116.42 116.09 2wss h ASP 245 Ca -0.06 -0.48 -0.32 0.00 0.02 0.00 0.00 57.03 56.20 2wss h ASP 245 Cb 0.45 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.70 2wss h ASP 245 CO 0.10 1.15 -2.06 0.00 -1.72 0.00 0.00 179.24 176.72 2wss n GLN 246 N -4.18 0.66 -0.07 3.56 1.13 -0.43 -4.40 117.38 113.65 2wss n GLN 246 Ca -0.03 0.12 0.03 0.00 -1.94 0.00 0.00 57.00 55.18 2wss n GLN 246 Cb 0.51 -1.65 0.07 0.00 0.11 0.00 0.00 30.24 29.28 2wss n GLN 246 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2wss n GLU 247 N -2.87 1.79 -3.70 -1.09 1.02 -1.15 -5.01 120.64 109.64 2wss n GLU 247 Ca -0.25 -1.48 -0.27 0.00 -0.02 0.00 0.00 57.16 55.14 2wss n GLU 247 Cb 1.09 -1.15 0.04 0.00 -0.02 0.00 0.00 31.44 31.40 2wss n GLU 247 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wss n GLY 248 N 0.22 -0.51 3.96 0.62 0.00 0.17 -4.91 105.19 104.73 2wss n GLY 248 Ca 0.06 0.20 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 2wss n GLY 248 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wss s GLN 249 N -6.41 3.30 -0.53 1.61 0.74 -0.55 -4.71 119.66 113.10 2wss s GLN 249 Ca 0.59 -0.56 -0.15 0.00 0.05 0.00 0.00 55.36 55.30 2wss s GLN 249 Cb -0.29 -2.69 0.13 0.00 1.10 0.00 0.00 33.01 31.26 2wss s GLN 249 CO 0.73 0.06 0.48 -0.51 -0.55 0.00 0.00 175.29 175.50 2wss s ASP 250 N -4.10 6.11 0.38 6.67 1.11 -1.26 -1.88 116.67 123.69 2wss s ASP 250 Ca 0.42 -1.84 0.01 0.00 0.18 0.00 0.00 52.55 51.31 2wss s ASP 250 Cb -0.10 -2.17 -0.02 0.00 1.07 0.00 0.00 42.92 41.70 2wss s ASP 250 CO 0.35 -0.82 0.58 -0.69 1.18 0.00 0.00 175.17 175.77 2wss s VAL 251 N 1.51 4.77 -0.13 -1.27 1.01 0.96 -4.38 120.40 122.86 2wss s VAL 251 Ca 0.04 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.56 2wss s VAL 251 Cb -0.29 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.35 2wss s VAL 251 CO 0.02 -0.49 -0.18 -0.76 0.00 0.00 0.00 175.10 173.68 2wss s LEU 252 N -4.39 2.36 -0.32 3.92 1.43 -0.92 -1.46 118.68 119.30 2wss s LEU 252 Ca 0.43 -0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 53.02 2wss s LEU 252 Cb -0.10 -1.51 0.06 0.00 0.03 0.00 0.00 46.19 44.67 2wss s LEU 252 CO 0.37 0.12 0.03 -0.22 0.23 0.00 0.00 176.35 176.87 2wss s LEU 253 N 0.60 4.09 -0.14 1.79 2.96 -0.64 0.63 118.68 127.98 2wss s LEU 253 Ca -0.10 -1.38 -0.18 0.00 -0.22 0.00 0.00 54.13 52.25 2wss s LEU 253 Cb -0.16 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 2wss s LEU 253 CO 0.03 -0.30 0.46 -0.36 -1.32 0.00 0.00 176.35 174.86 2wss s PHE 254 N 1.23 3.48 -0.20 5.38 0.40 0.11 -1.85 117.98 126.53 2wss s PHE 254 Ca -0.03 0.83 0.01 0.00 -0.60 0.00 0.00 56.93 57.14 2wss s PHE 254 Cb -0.20 -2.54 0.04 0.00 0.51 0.00 0.00 43.02 40.82 2wss s PHE 254 CO -0.02 0.13 -0.14 0.42 0.70 0.00 0.00 175.22 176.31 2wss s ILE 255 N 0.78 1.93 -0.24 0.64 1.01 -0.83 0.13 121.20 124.62 2wss s ILE 255 Ca 0.24 -1.11 -0.03 0.00 0.00 0.00 0.00 60.65 59.75 2wss s ILE 255 Cb -0.15 -1.90 0.08 0.00 0.01 0.00 0.00 42.46 40.50 2wss s ILE 255 CO 0.09 0.28 0.08 -0.62 0.00 0.00 0.00 174.94 174.77 2wss s ASP 256 N 1.29 3.29 -0.02 3.58 -1.08 -0.63 -1.46 116.67 121.63 2wss s ASP 256 Ca -0.00 -1.12 -0.01 0.00 -0.52 0.00 0.00 52.55 50.90 2wss s ASP 256 Cb -0.16 -0.59 0.02 0.00 -1.46 0.00 0.00 42.92 40.74 2wss s ASP 256 CO -0.09 -0.37 0.05 0.21 0.52 0.00 0.00 175.17 175.49 2wss s ASN 257 N 1.87 0.01 0.54 -0.34 2.47 -1.14 -0.58 114.94 117.76 2wss s ASN 257 Ca 0.04 0.08 0.41 0.00 0.42 0.00 0.00 52.86 53.81 2wss s ASN 257 Cb -0.17 0.01 1.60 0.00 -1.45 0.00 0.00 41.25 41.24 2wss s ASN 257 CO -0.19 -0.09 1.72 -0.29 -3.72 0.00 0.00 177.10 174.53 2wss h ILE 258 N 5.82 0.26 -0.08 -5.21 6.09 -1.65 0.44 117.51 123.18 2wss h ILE 258 Ca -0.37 -0.01 -0.04 0.00 -1.37 0.00 0.00 64.86 63.07 2wss h ILE 258 Cb 1.16 0.24 -0.01 0.00 0.47 0.00 0.00 36.82 38.68 2wss h ILE 258 CO 0.48 0.00 -0.14 0.15 -3.07 0.00 0.00 178.15 175.57 2wss h PHE 259 N 0.02 0.13 0.00 2.19 3.57 -1.88 -2.28 116.94 118.68 2wss h PHE 259 Ca 0.71 -0.01 -0.18 0.00 3.53 0.00 0.00 57.97 62.02 2wss h PHE 259 Cb 2.78 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 41.46 2wss h PHE 259 CO -0.00 0.26 -0.87 0.00 -2.23 0.00 0.00 178.31 175.48 2wss h ARG 260 N 0.12 0.00 -0.79 1.11 3.08 -0.39 -1.96 114.38 115.55 2wss h ARG 260 Ca 0.02 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.13 2wss h ARG 260 Cb 0.32 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.32 2wss h ARG 260 CO 0.02 0.87 0.48 0.35 -1.07 0.00 0.00 179.97 180.62 2wss h PHE 261 N 0.00 0.90 -0.27 3.04 3.57 -1.42 0.92 116.94 123.68 2wss h PHE 261 Ca -0.01 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.39 2wss h PHE 261 Cb 1.56 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 40.00 2wss h PHE 261 CO 0.00 0.47 -0.34 1.15 -2.23 0.00 0.00 178.31 177.36 2wss h THR 262 N 0.90 1.31 -0.40 4.41 2.02 -1.23 -2.91 112.91 117.02 2wss h THR 262 Ca 0.34 -1.53 -0.07 0.00 0.77 0.00 0.00 66.41 65.92 2wss h THR 262 Cb 0.12 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 2wss h THR 262 CO -0.15 0.49 -0.05 1.56 0.37 0.00 0.00 175.52 177.73 2wss h GLN 263 N 0.43 0.66 -0.09 6.66 1.08 -1.01 0.70 115.11 123.55 2wss h GLN 263 Ca 0.03 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 57.05 2wss h GLN 263 Cb 0.92 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.27 2wss h GLN 263 CO 0.08 0.71 0.03 0.00 -0.95 0.00 0.00 178.83 178.71 2wss h ALA 264 N 1.33 0.11 -0.30 3.87 0.00 -0.79 0.17 119.26 123.66 2wss h ALA 264 Ca 0.12 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2wss h ALA 264 Cb 0.46 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 2wss h ALA 264 CO 0.02 -0.29 -0.31 0.78 0.00 0.00 0.00 179.25 179.45 2wss h GLY 265 N -0.02 -1.51 1.32 0.00 0.00 -1.29 0.85 103.07 102.42 2wss h GLY 265 Ca 0.03 0.82 0.05 0.00 0.00 0.00 0.00 47.33 48.23 2wss h GLY 265 CO -0.00 -0.42 0.29 0.23 0.00 0.00 0.00 176.54 176.64 2wss h SER 266 N -0.17 0.00 0.00 0.19 0.87 0.23 0.87 113.55 115.54 2wss h SER 266 Ca 0.05 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2wss h SER 266 Cb 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2wss h SER 266 CO -0.37 0.00 -0.00 -0.33 -0.53 0.00 0.00 176.83 175.60 2wss h GLU 267 N 0.00 -0.00 -0.67 2.24 5.08 0.04 -3.13 114.58 118.13 2wss h GLU 267 Ca 0.08 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.66 2wss h GLU 267 Cb 0.66 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.79 2wss h GLU 267 CO -0.00 -0.00 0.14 0.28 -1.00 0.00 0.00 179.01 178.43 2wss n VAL 268 N -2.06 -0.28 0.21 3.13 0.31 0.22 0.13 118.33 119.99 2wss n VAL 268 Ca -0.00 1.43 0.08 0.00 -0.01 0.00 0.00 64.34 65.84 2wss n VAL 268 Cb 0.00 -2.17 0.39 0.00 -0.91 0.00 0.00 33.84 31.15 2wss n VAL 268 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2wss h SER 269 N 0.00 0.00 1.30 4.52 0.87 -0.97 -2.17 113.55 117.10 2wss h SER 269 Ca 0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.03 2wss h SER 269 Cb 1.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2wss h SER 269 CO -0.59 0.27 -0.68 0.00 -0.53 0.00 0.00 176.83 175.31 2wss h ALA 270 N 1.73 0.66 -0.08 6.23 0.00 0.12 -1.89 119.26 126.02 2wss h ALA 270 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 2wss h ALA 270 Cb 0.84 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2wss h ALA 270 CO 0.04 0.00 -0.74 -0.07 0.00 0.00 0.00 179.25 178.48 2wss h LEU 271 N 0.00 0.51 -0.03 0.00 3.38 -0.68 -0.62 115.31 117.87 2wss h LEU 271 Ca 0.00 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2wss h LEU 271 Cb 0.99 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2wss h LEU 271 CO 0.00 1.08 0.00 0.18 0.09 0.00 0.00 178.44 179.79 2wss n LEU 272 N -3.84 0.05 -2.82 1.67 4.77 -0.91 -4.88 117.00 111.03 2wss n LEU 272 Ca -0.05 -0.02 -0.18 0.00 -0.03 0.00 0.00 56.01 55.73 2wss n LEU 272 Cb 0.71 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 2wss n LEU 272 CO 0.48 0.01 -0.10 0.61 -1.33 0.00 0.00 177.39 177.06 2wss n GLY 273 N 0.68 -0.50 3.71 -0.72 0.00 -0.24 -4.93 105.19 103.18 2wss n GLY 273 Ca 0.08 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2wss n GLY 273 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wss s ARG 274 N -5.45 4.35 0.07 1.61 0.52 -0.72 -4.95 118.95 114.38 2wss s ARG 274 Ca 0.18 1.98 -0.37 0.00 -0.52 0.00 0.00 55.73 56.99 2wss s ARG 274 Cb -0.09 -3.31 -0.18 0.00 0.52 0.00 0.00 34.95 31.90 2wss s ARG 274 CO 0.22 -0.40 1.20 -0.89 0.02 0.00 0.00 175.30 175.45 2wss n ILE 275 N 4.01 0.16 -2.89 1.52 5.41 -1.26 -4.61 119.36 121.70 2wss n ILE 275 Ca 0.11 -0.04 -0.40 0.00 1.00 0.00 0.00 62.75 63.42 2wss n ILE 275 Cb 0.44 -0.50 -0.05 0.00 -0.71 0.00 0.00 39.64 38.81 2wss n ILE 275 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2wss s PRO 276 N 0.17 4.63 0.00 0.38 0.02 -1.26 -4.43 135.00 134.51 2wss s PRO 276 Ca 0.85 1.25 0.00 0.00 0.02 0.00 0.00 61.00 63.12 2wss s PRO 276 Cb -1.06 -3.31 0.00 0.00 0.02 0.00 0.00 34.50 30.15 2wss s PRO 276 CO 0.51 0.43 0.00 0.45 -0.33 0.00 0.00 177.00 178.06 2wss n SER 277 N 2.08 -0.57 -4.74 2.53 2.88 -0.45 -4.89 113.62 110.45 2wss n SER 277 Ca -0.03 -0.32 -0.42 0.00 -1.33 0.00 0.00 58.87 56.77 2wss n SER 277 Cb 0.49 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.93 2wss n SER 277 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wss n ALA 278 N -3.00 2.40 -0.67 -1.46 0.00 -1.26 -3.09 120.51 113.42 2wss n ALA 278 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2wss n ALA 278 Cb 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.01 2wss n ALA 278 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2wss n VAL 279 N 2.01 0.00 0.00 0.00 3.14 -1.26 -2.89 118.33 119.34 2wss n VAL 279 Ca 0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.46 2wss n VAL 279 Cb 0.36 -0.40 0.00 0.00 -1.06 0.00 0.00 33.84 32.75 2wss n VAL 279 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2wss n GLY 280 N -1.81 1.02 3.61 7.55 0.00 -1.18 -5.09 105.19 109.28 2wss n GLY 280 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2wss n GLY 280 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wss s TYR 281 N -0.54 1.52 0.73 1.61 1.51 -1.14 -4.53 117.35 116.51 2wss s TYR 281 Ca 0.00 0.87 -0.14 0.00 -1.01 0.00 0.00 57.07 56.79 2wss s TYR 281 Cb 0.00 -3.27 0.04 0.00 -0.11 0.00 0.00 41.96 38.62 2wss s TYR 281 CO 0.00 -3.38 1.18 1.14 -1.11 0.00 0.00 175.55 173.38 2wss s GLN 282 N -4.99 2.18 0.24 -0.62 0.00 -1.26 -1.34 119.66 113.87 2wss s GLN 282 Ca 0.67 1.66 0.25 0.00 -0.00 0.00 0.00 55.36 57.94 2wss s GLN 282 Cb -0.17 -1.85 0.85 0.00 0.00 0.00 0.00 33.01 31.84 2wss s GLN 282 CO 0.58 -1.78 1.76 -1.35 0.00 0.00 0.00 175.29 174.50 2wss h PRO 283 N -0.37 0.00 -0.00 9.60 0.11 -1.92 -2.40 132.00 137.02 2wss h PRO 283 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2wss h PRO 283 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2wss h PRO 283 CO 0.50 0.00 -0.00 2.41 -0.21 0.00 0.00 178.00 180.70 2wss n THR 284 N -2.32 0.00 -0.26 -1.15 -1.04 -1.26 -4.49 114.28 103.76 2wss n THR 284 Ca 0.04 -0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.03 2wss n THR 284 Cb 0.37 -0.49 0.04 0.00 -1.82 0.00 0.00 70.33 68.44 2wss n THR 284 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2wss h LEU 285 N 0.02 -1.05 -0.11 -4.42 5.85 -1.79 0.28 115.31 114.09 2wss h LEU 285 Ca 0.00 0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 2wss h LEU 285 Cb 0.07 0.58 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 2wss h LEU 285 CO 0.00 -0.29 0.03 0.00 -0.34 0.00 0.00 178.44 177.85 2wss h ALA 286 N 1.35 0.15 0.08 1.25 0.00 -1.86 -2.68 119.26 117.55 2wss h ALA 286 Ca 0.30 -0.12 -0.27 0.00 0.00 0.00 0.00 54.91 54.82 2wss h ALA 286 Cb 0.57 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2wss h ALA 286 CO -0.78 -0.24 -1.28 1.79 0.00 0.00 0.00 179.25 178.74 2wss h THR 287 N -0.01 1.43 -0.54 0.00 1.35 -1.64 0.64 112.91 114.14 2wss h THR 287 Ca 0.04 -3.07 0.11 0.00 -0.55 0.00 0.00 66.41 62.93 2wss h THR 287 Cb 0.23 2.84 -0.11 0.00 -1.73 0.00 0.00 68.15 69.38 2wss h THR 287 CO -0.00 0.87 -0.24 0.44 -0.25 0.00 0.00 175.52 176.34 2wss h ASP 288 N 0.05 -0.85 -0.31 5.36 3.32 -0.51 0.56 116.42 124.04 2wss h ASP 288 Ca -0.14 0.20 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 2wss h ASP 288 Cb 1.93 0.46 -0.01 0.00 0.22 0.00 0.00 39.33 41.93 2wss h ASP 288 CO 0.17 -0.26 -0.04 -0.03 -1.72 0.00 0.00 179.24 177.36 2wss h MET 289 N -0.11 0.57 -0.60 3.56 4.05 -1.41 -3.30 114.93 117.69 2wss h MET 289 Ca 0.25 -0.20 0.03 0.00 -0.28 0.00 0.00 59.70 59.49 2wss h MET 289 Cb 0.50 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.22 2wss h MET 289 CO -0.61 0.73 0.37 0.78 0.23 0.00 0.00 176.91 178.41 2wss h GLY 290 N 0.36 0.86 0.98 1.39 0.00 -0.01 -0.14 103.07 106.51 2wss h GLY 290 Ca 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2wss h GLY 290 CO 0.02 0.24 0.00 -1.30 0.00 0.00 0.00 176.54 175.50 2wss n THR 291 N -4.73 0.00 -0.07 4.70 -2.24 0.11 -0.97 114.28 111.08 2wss n THR 291 Ca 0.05 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.71 2wss n THR 291 Cb 0.08 -0.49 -0.04 0.00 -2.10 0.00 0.00 70.33 67.77 2wss n THR 291 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2wss n MET 292 N -0.99 0.38 0.30 -0.78 0.00 -1.02 -4.58 117.12 110.44 2wss n MET 292 Ca 0.23 0.16 0.18 0.00 0.00 0.00 0.00 57.70 58.27 2wss n MET 292 Cb 0.11 -1.16 0.94 0.00 0.00 0.00 0.00 33.22 33.10 2wss n MET 292 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 175.97 177.93 2wss h GLN 293 N -0.69 0.00 -0.00 2.12 1.08 -0.88 -0.01 115.11 116.72 2wss h GLN 293 Ca -0.20 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.00 2wss h GLN 293 Cb 1.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.43 2wss h GLN 293 CO -0.12 0.00 -0.19 0.39 -0.95 0.00 0.00 178.83 177.95 2wss n GLU 294 N -2.83 0.47 0.07 1.46 -0.58 -0.14 -3.34 120.64 115.75 2wss n GLU 294 Ca -0.02 -0.19 0.06 0.00 -0.42 0.00 0.00 57.16 56.58 2wss n GLU 294 Cb 0.20 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.53 2wss n GLU 294 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wss h ARG 295 N 0.47 0.00 -6.17 3.49 3.08 -1.25 -3.39 114.38 110.60 2wss h ARG 295 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 2wss h ARG 295 Cb 0.43 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.38 2wss h ARG 295 CO 0.00 0.14 0.79 0.42 -1.07 0.00 0.00 179.97 180.26 2wss s ILE 296 N -3.15 4.15 0.02 2.04 1.01 -1.21 -4.85 121.20 119.21 2wss s ILE 296 Ca -0.02 0.49 -0.28 0.00 0.00 0.00 0.00 60.65 60.84 2wss s ILE 296 Cb 0.09 -4.68 0.10 0.00 0.01 0.00 0.00 42.46 37.99 2wss s ILE 296 CO 0.80 -1.33 1.23 0.28 0.00 0.00 0.00 174.94 175.91 2wss s THR 297 N 4.60 0.00 -0.33 2.92 -1.32 -1.22 -4.85 115.64 115.44 2wss s THR 297 Ca 0.35 -0.29 -0.23 0.00 -1.21 0.00 0.00 61.69 60.31 2wss s THR 297 Cb -0.10 -2.43 0.00 0.00 -1.51 0.00 0.00 72.50 68.46 2wss s THR 297 CO 0.20 0.00 0.78 -0.89 -2.21 0.00 0.00 174.62 172.50 2wss s THR 298 N -2.32 4.78 0.50 5.08 2.01 -1.26 -3.11 115.64 121.30 2wss s THR 298 Ca 0.20 1.07 0.08 0.00 0.31 0.00 0.00 61.69 63.35 2wss s THR 298 Cb 0.02 -4.16 0.03 0.00 0.01 0.00 0.00 72.50 68.40 2wss s THR 298 CO -0.01 -0.31 0.55 0.42 -0.69 0.00 0.00 174.62 174.58 2wss s THR 299 N 2.99 2.34 0.36 -0.82 -4.23 0.06 -2.05 115.64 114.29 2wss s THR 299 Ca 0.32 -1.20 0.03 0.00 -1.18 0.00 0.00 61.69 59.66 2wss s THR 299 Cb -0.14 -2.54 0.25 0.00 1.34 0.00 0.00 72.50 71.42 2wss s THR 299 CO 0.14 0.00 2.01 0.11 -0.54 0.00 0.00 174.62 176.34 2wss h LYS 300 N 0.63 0.76 0.00 3.99 1.79 -1.80 -2.58 116.57 119.35 2wss h LYS 300 Ca -0.36 -0.05 -0.10 0.00 -2.18 0.00 0.00 60.65 57.95 2wss h LYS 300 Cb 1.28 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.75 2wss h LYS 300 CO 0.50 0.52 -0.49 0.87 -1.08 0.00 0.00 179.45 179.77 2wss h LYS 301 N 0.77 0.00 0.00 3.15 1.57 -1.91 -3.49 116.57 116.67 2wss h LYS 301 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2wss h LYS 301 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2wss h LYS 301 CO -0.04 0.49 0.00 0.41 -0.57 0.00 0.00 179.45 179.74 2wss n GLY 302 N 0.24 -0.66 3.51 3.86 0.00 -0.97 -4.28 105.19 106.88 2wss n GLY 302 Ca -0.01 -0.50 -0.00 0.00 0.00 0.00 0.00 46.02 45.51 2wss n GLY 302 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wss s SER 303 N -4.00 -0.63 -0.39 1.61 1.04 -0.79 -0.76 113.70 109.78 2wss s SER 303 Ca 0.00 0.91 -0.24 0.00 0.48 0.00 0.00 55.95 57.10 2wss s SER 303 Cb 0.00 1.58 0.02 0.00 0.10 0.00 0.00 66.02 67.72 2wss s SER 303 CO 0.00 -0.13 0.84 -0.63 0.98 0.00 0.00 173.24 174.30 2wss s ILE 304 N 2.14 4.65 -0.14 -1.02 1.01 -1.18 -0.03 121.20 126.63 2wss s ILE 304 Ca -0.05 0.86 -0.06 0.00 0.00 0.00 0.00 60.65 61.40 2wss s ILE 304 Cb -0.06 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 2wss s ILE 304 CO -0.17 -0.56 0.07 -0.89 0.00 0.00 0.00 174.94 173.39 2wss s THR 305 N 3.31 4.87 -0.06 2.92 2.01 -0.54 -3.42 115.64 124.74 2wss s THR 305 Ca 0.33 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.33 2wss s THR 305 Cb -0.12 -3.14 0.02 0.00 0.01 0.00 0.00 72.50 69.27 2wss s THR 305 CO 0.20 0.54 -0.10 -0.55 -0.69 0.00 0.00 174.62 174.02 2wss s SER 306 N -0.37 1.50 -0.24 3.53 0.15 -0.24 -1.62 113.70 116.41 2wss s SER 306 Ca 0.09 -0.24 -0.10 0.00 0.70 0.00 0.00 55.95 56.40 2wss s SER 306 Cb -0.12 -0.70 -0.05 0.00 -1.71 0.00 0.00 66.02 63.44 2wss s SER 306 CO 0.02 0.01 0.14 -0.69 1.20 0.00 0.00 173.24 173.92 2wss s VAL 307 N 0.74 5.20 -0.12 4.45 1.01 -0.77 0.04 120.40 130.94 2wss s VAL 307 Ca -0.14 0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2wss s VAL 307 Cb -0.15 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.83 2wss s VAL 307 CO 0.03 0.35 -0.11 -1.10 0.00 0.00 0.00 175.10 174.26 2wss s GLN 308 N 1.10 1.90 0.25 2.72 -0.21 0.11 -1.96 119.66 123.56 2wss s GLN 308 Ca 0.07 -0.41 -0.30 0.00 0.02 0.00 0.00 55.36 54.74 2wss s GLN 308 Cb -0.14 -1.79 -0.09 0.00 1.00 0.00 0.00 33.01 31.98 2wss s GLN 308 CO 0.05 -0.21 1.26 0.00 -2.12 0.00 0.00 175.29 174.27 2wss s ALA 309 N 1.46 3.49 -0.07 6.09 0.00 -0.53 -1.33 121.76 130.87 2wss s ALA 309 Ca 0.02 1.11 0.06 0.00 0.00 0.00 0.00 51.96 53.14 2wss s ALA 309 Cb -0.13 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.53 2wss s ALA 309 CO -0.07 -0.49 -0.25 0.42 0.00 0.00 0.00 175.76 175.37 2wss s ILE 310 N -0.48 2.07 -0.05 0.00 -1.09 -1.08 -2.68 121.20 117.89 2wss s ILE 310 Ca 0.52 -1.05 -0.11 0.00 -2.23 0.00 0.00 60.65 57.78 2wss s ILE 310 Cb -0.36 -1.75 -0.05 0.00 -1.58 0.00 0.00 42.46 38.71 2wss s ILE 310 CO 0.43 0.57 0.28 -0.47 -1.23 0.00 0.00 174.94 174.52 2wss s TYR 311 N -0.05 3.66 -0.46 3.97 5.04 -1.26 -4.81 117.35 123.44 2wss s TYR 311 Ca -0.07 0.76 -0.03 0.00 -2.44 0.00 0.00 57.07 55.29 2wss s TYR 311 Cb -0.15 -2.11 0.12 0.00 0.35 0.00 0.00 41.96 40.17 2wss s TYR 311 CO 0.05 0.69 0.26 0.08 -1.34 0.00 0.00 175.55 175.28 2wss s VAL 312 N -1.07 3.41 -0.29 3.14 1.01 -1.26 -4.76 120.40 120.58 2wss s VAL 312 Ca 0.20 -2.23 -0.38 0.00 0.00 0.00 0.00 61.98 59.57 2wss s VAL 312 Cb -0.14 -3.31 -0.17 0.00 0.00 0.00 0.00 36.38 32.76 2wss s VAL 312 CO 0.09 -0.73 1.21 -2.65 0.00 0.00 0.00 175.10 173.01 2wss n PRO 313 N 4.38 0.00 -1.44 2.72 -0.02 -1.26 -0.54 135.00 138.84 2wss n PRO 313 Ca -0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.33 2wss n PRO 313 Cb 0.41 -1.26 -0.06 0.00 -0.02 0.00 0.00 33.50 32.56 2wss n PRO 313 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wss n ALA 314 N 2.70 -0.23 -4.01 3.55 0.00 -1.26 -1.67 120.51 119.58 2wss n ALA 314 Ca 0.23 0.24 -0.27 0.00 0.00 0.00 0.00 53.44 53.65 2wss n ALA 314 Cb -0.01 -1.83 -0.03 0.00 0.00 0.00 0.00 19.45 17.58 2wss n ALA 314 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wss n ASP 315 N -1.09 -0.54 -3.92 0.00 8.00 0.30 -4.90 116.55 114.39 2wss n ASP 315 Ca -0.15 -1.03 -0.30 0.00 0.71 0.00 0.00 54.79 54.02 2wss n ASP 315 Cb 0.60 -2.91 -0.14 0.00 -0.02 0.00 0.00 41.12 38.65 2wss n ASP 315 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2wss s ASP 316 N -4.25 4.32 0.00 -2.24 -1.08 -0.67 -4.93 116.67 107.81 2wss s ASP 316 Ca 0.09 -2.67 0.02 0.00 -0.52 0.00 0.00 52.55 49.47 2wss s ASP 316 Cb -0.05 -1.51 0.11 0.00 -1.46 0.00 0.00 42.92 40.01 2wss s ASP 316 CO 0.90 -0.28 1.01 0.18 0.52 0.00 0.00 175.17 177.50 2wss n LEU 317 N 3.56 0.00 -0.00 -1.34 4.77 -1.26 -1.15 117.00 121.58 2wss n LEU 317 Ca 0.05 0.43 0.07 0.00 -0.03 0.00 0.00 56.01 56.53 2wss n LEU 317 Cb 0.35 -0.43 -0.09 0.00 -2.33 0.00 0.00 43.42 40.93 2wss n LEU 317 CO 0.28 -0.40 -0.17 0.35 -1.33 0.00 0.00 177.39 176.13 2wss n THR 318 N -1.43 0.00 -1.57 -5.08 -2.24 -1.26 -3.84 114.28 98.85 2wss n THR 318 Ca 0.01 -0.20 -0.43 0.00 -2.27 0.00 0.00 64.05 61.16 2wss n THR 318 Cb 0.02 0.82 -0.01 0.00 -2.10 0.00 0.00 70.33 69.07 2wss n THR 318 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2wss n ASP 319 N -1.48 0.92 -0.28 3.42 2.03 -0.30 -4.74 116.55 116.12 2wss n ASP 319 Ca 0.02 1.10 0.06 0.00 0.52 0.00 0.00 54.79 56.49 2wss n ASP 319 Cb 0.26 -1.27 0.28 0.00 -0.72 0.00 0.00 41.12 39.66 2wss n ASP 319 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2wss h PRO 320 N 1.68 0.91 0.74 -0.67 0.11 -1.91 -1.98 132.00 130.87 2wss h PRO 320 Ca -0.41 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 2wss h PRO 320 Cb 1.35 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2wss h PRO 320 CO 0.58 0.60 -0.48 0.00 -0.21 0.00 0.00 178.00 178.49 2wss h ALA 321 N 1.54 -1.25 -0.29 -0.75 0.00 -1.94 0.17 119.26 116.74 2wss h ALA 321 Ca 0.39 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2wss h ALA 321 Cb 0.30 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2wss h ALA 321 CO -0.16 -1.22 0.16 -1.35 0.00 0.00 0.00 179.25 176.69 2wss h PRO 322 N -1.15 0.40 -0.95 0.00 0.11 -1.83 -1.82 132.00 126.75 2wss h PRO 322 Ca -0.10 -0.04 0.12 0.00 0.11 0.00 0.00 66.00 66.09 2wss h PRO 322 Cb 0.93 -0.08 -0.08 0.00 0.11 0.00 0.00 31.00 31.88 2wss h PRO 322 CO 0.08 0.33 0.58 0.00 -0.21 0.00 0.00 178.00 178.78 2wss h ALA 323 N 1.04 1.43 -0.26 -0.75 0.00 -1.27 0.29 119.26 119.74 2wss h ALA 323 Ca 0.10 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 2wss h ALA 323 Cb 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2wss h ALA 323 CO -0.02 0.15 -0.36 1.15 0.00 0.00 0.00 179.25 180.18 2wss h THR 324 N 0.90 1.31 0.20 0.00 2.02 -0.41 -3.27 112.91 113.66 2wss h THR 324 Ca 0.48 -1.55 -0.00 0.00 0.77 0.00 0.00 66.41 66.11 2wss h THR 324 Cb 0.50 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 2wss h THR 324 CO -0.28 0.49 -0.16 0.74 0.37 0.00 0.00 175.52 176.68 2wss h THR 325 N 0.43 0.65 -1.24 3.16 2.02 -0.06 -2.76 112.91 115.11 2wss h THR 325 Ca 0.03 0.00 0.36 0.00 0.77 0.00 0.00 66.41 67.57 2wss h THR 325 Cb 0.94 0.65 -0.09 0.00 -1.74 0.00 0.00 68.15 67.91 2wss h THR 325 CO 0.08 0.00 0.84 -0.26 0.37 0.00 0.00 175.52 176.55 2wss h PHE 326 N -0.38 0.37 -0.71 3.16 0.04 -0.60 0.72 116.94 119.56 2wss h PHE 326 Ca -0.01 0.01 0.13 0.00 2.80 0.00 0.00 57.97 60.91 2wss h PHE 326 Cb 0.34 -0.10 -0.05 0.00 2.20 0.00 0.00 35.95 38.34 2wss h PHE 326 CO -0.12 -0.03 0.47 0.00 -0.60 0.00 0.00 178.31 178.03 2wss h ALA 327 N 1.50 2.09 -0.01 2.45 0.00 -1.54 -0.35 119.26 123.40 2wss h ALA 327 Ca 0.68 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.58 2wss h ALA 327 Cb 2.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.94 2wss h ALA 327 CO -0.22 -0.27 -0.14 0.72 0.00 0.00 0.00 179.25 179.34 2wss n HIS 328 N -4.47 0.00 -3.04 0.00 8.25 0.25 -4.94 115.22 111.26 2wss n HIS 328 Ca 0.13 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.20 2wss n HIS 328 Cb 0.48 -0.06 -0.06 0.00 1.12 0.00 0.00 29.99 31.47 2wss n HIS 328 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2wss s LEU 329 N -2.26 4.57 0.00 2.41 1.43 -0.14 -4.38 118.68 120.31 2wss s LEU 329 Ca 0.30 1.56 0.11 0.00 -1.03 0.00 0.00 54.13 55.07 2wss s LEU 329 Cb 0.20 -3.24 0.10 0.00 0.03 0.00 0.00 46.19 43.28 2wss s LEU 329 CO 0.43 0.21 0.86 0.47 0.23 0.00 0.00 176.35 178.56 2wss n ASP 330 N 1.56 1.95 0.00 2.29 8.00 0.32 -4.94 116.55 125.74 2wss n ASP 330 Ca -0.06 -1.48 0.00 0.00 0.71 0.00 0.00 54.79 53.96 2wss n ASP 330 Cb 0.49 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 2wss n ASP 330 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wss n ALA 331 N 0.59 0.00 -2.56 2.24 0.00 -1.22 -2.03 120.51 117.53 2wss n ALA 331 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.28 2wss n ALA 331 Cb 0.27 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.60 2wss n ALA 331 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2wss s THR 332 N -2.00 1.53 -0.17 0.00 -4.23 0.43 -1.43 115.64 109.76 2wss s THR 332 Ca 0.00 -1.34 -0.01 0.00 -1.18 0.00 0.00 61.69 59.16 2wss s THR 332 Cb 0.00 -1.38 0.05 0.00 1.34 0.00 0.00 72.50 72.51 2wss s THR 332 CO 0.00 -0.00 -0.02 -0.89 -0.54 0.00 0.00 174.62 173.16 2wss s THR 333 N -1.04 0.91 -0.28 3.99 2.01 -0.36 -2.55 115.64 118.32 2wss s THR 333 Ca 0.05 -0.59 -0.03 0.00 0.31 0.00 0.00 61.69 61.43 2wss s THR 333 Cb -0.09 -1.19 0.03 0.00 0.01 0.00 0.00 72.50 71.26 2wss s THR 333 CO 0.03 0.03 0.01 -0.69 -0.69 0.00 0.00 174.62 173.30 2wss s VAL 334 N 1.71 3.26 0.20 3.82 1.01 -1.26 -1.44 120.40 127.70 2wss s VAL 334 Ca 0.00 -1.06 -0.21 0.00 0.00 0.00 0.00 61.98 60.71 2wss s VAL 334 Cb -0.16 -2.75 -0.08 0.00 0.00 0.00 0.00 36.38 33.39 2wss s VAL 334 CO -0.07 0.04 0.73 -0.76 0.00 0.00 0.00 175.10 175.04 2wss s LEU 335 N 1.35 4.42 -0.11 3.92 1.43 -0.96 -0.87 118.68 127.85 2wss s LEU 335 Ca -0.01 1.48 0.00 0.00 -1.03 0.00 0.00 54.13 54.57 2wss s LEU 335 Cb -0.18 -3.47 0.02 0.00 0.03 0.00 0.00 46.19 42.59 2wss s LEU 335 CO -0.01 0.09 -0.10 -0.55 0.23 0.00 0.00 176.35 176.01 2wss s SER 336 N -1.48 2.26 0.24 2.29 0.15 0.21 -4.25 113.70 113.13 2wss s SER 336 Ca 0.40 -0.35 -0.07 0.00 0.70 0.00 0.00 55.95 56.63 2wss s SER 336 Cb -0.19 -0.93 0.24 0.00 -1.71 0.00 0.00 66.02 63.43 2wss s SER 336 CO 0.22 -0.08 1.91 -0.09 1.20 0.00 0.00 173.24 176.40 2wss h ARG 337 N 7.95 1.20 -0.11 5.44 2.43 -1.88 -0.72 114.38 128.69 2wss h ARG 337 Ca -0.32 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 58.79 2wss h ARG 337 Cb 1.14 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 2wss h ARG 337 CO 0.45 0.80 -0.06 0.00 -1.51 0.00 0.00 179.97 179.64 2wss n ALA 338 N -2.36 -0.07 -0.27 2.80 0.00 -1.26 -1.43 120.51 117.92 2wss n ALA 338 Ca 0.11 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2wss n ALA 338 Cb 0.03 0.39 0.13 0.00 0.00 0.00 0.00 19.45 20.00 2wss n ALA 338 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2wss h ILE 339 N 0.00 0.98 0.00 0.00 1.08 -1.78 -2.31 117.51 115.48 2wss h ILE 339 Ca 0.02 -0.27 -0.02 0.00 -0.39 0.00 0.00 64.86 64.19 2wss h ILE 339 Cb 0.04 0.11 -0.00 0.00 -3.07 0.00 0.00 36.82 33.90 2wss h ILE 339 CO -0.10 0.15 -0.10 0.00 -0.69 0.00 0.00 178.15 177.40 2wss h ALA 340 N 1.39 1.69 -0.34 1.87 0.00 -0.61 -1.18 119.26 122.08 2wss h ALA 340 Ca 0.35 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 2wss h ALA 340 Cb 0.22 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2wss h ALA 340 CO -0.20 0.13 -0.19 1.49 0.00 0.00 0.00 179.25 180.48 2wss h GLU 341 N 0.00 0.63 -0.60 0.00 4.81 -0.65 -1.78 114.58 117.00 2wss h GLU 341 Ca -0.00 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 2wss h GLU 341 Cb 0.20 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2wss h GLU 341 CO 0.01 0.79 0.00 1.28 -0.73 0.00 0.00 179.01 180.36 2wss n LEU 342 N -4.14 0.60 -1.70 1.64 4.77 -0.45 -4.85 117.00 112.87 2wss n LEU 342 Ca 0.00 -0.30 -0.17 0.00 -0.03 0.00 0.00 56.01 55.52 2wss n LEU 342 Cb 0.39 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 2wss n LEU 342 CO 0.43 0.15 -0.20 0.61 -1.33 0.00 0.00 177.39 177.05 2wss n GLY 343 N 0.18 0.43 3.62 -0.72 0.00 -0.67 -4.99 105.19 103.04 2wss n GLY 343 Ca 0.00 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 2wss n GLY 343 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wss s ILE 344 N -2.77 5.24 -0.12 -0.61 -1.09 -1.21 -5.06 121.20 115.59 2wss s ILE 344 Ca 0.00 0.44 0.01 0.00 -2.23 0.00 0.00 60.65 58.87 2wss s ILE 344 Cb 0.00 -3.63 0.02 0.00 -1.58 0.00 0.00 42.46 37.26 2wss s ILE 344 CO 0.00 0.22 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.48 2wss s TYR 345 N 1.72 1.96 0.38 3.97 2.02 -1.26 -2.80 117.35 123.33 2wss s TYR 345 Ca 0.13 -0.97 -0.15 0.00 -0.37 0.00 0.00 57.07 55.71 2wss s TYR 345 Cb -0.15 -1.44 -0.09 0.00 -0.40 0.00 0.00 41.96 39.89 2wss s TYR 345 CO 0.09 -0.52 0.81 -1.25 -1.57 0.00 0.00 175.55 173.11 2wss s PRO 346 N 1.16 3.98 -1.25 -1.71 0.05 -1.26 -0.41 135.00 135.56 2wss s PRO 346 Ca -0.03 0.72 -0.08 0.00 0.05 0.00 0.00 61.00 61.66 2wss s PRO 346 Cb -0.14 -2.35 -0.10 0.00 0.05 0.00 0.00 34.50 31.96 2wss s PRO 346 CO -0.04 0.03 2.77 0.00 0.05 0.00 0.00 177.00 179.81 2wss n ALA 347 N -0.77 6.59 -2.66 8.56 0.00 -1.12 -4.88 120.51 126.23 2wss n ALA 347 Ca 0.04 -2.89 -0.42 0.00 0.00 0.00 0.00 53.44 50.17 2wss n ALA 347 Cb 0.54 -3.15 -0.04 0.00 0.00 0.00 0.00 19.45 16.79 2wss n ALA 347 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wss s VAL 348 N 2.40 4.86 -0.33 0.00 1.01 -1.26 -0.62 120.40 126.46 2wss s VAL 348 Ca 0.60 1.62 -0.29 0.00 0.00 0.00 0.00 61.98 63.92 2wss s VAL 348 Cb 0.17 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 2wss s VAL 348 CO -0.05 -0.01 1.72 -0.62 0.00 0.00 0.00 175.10 176.14 2wss s ASP 349 N 1.22 6.03 0.00 3.32 -1.08 -0.05 -4.84 116.67 121.27 2wss s ASP 349 Ca 0.37 1.28 0.26 0.00 -0.52 0.00 0.00 52.55 53.94 2wss s ASP 349 Cb -0.16 -2.53 1.56 0.00 -1.46 0.00 0.00 42.92 40.33 2wss s ASP 349 CO 0.10 -1.60 1.91 -0.81 0.52 0.00 0.00 175.17 175.29 2wss n PRO 350 N 8.27 0.81 -0.08 4.34 -0.04 -1.26 -1.74 135.00 145.30 2wss n PRO 350 Ca 0.21 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.52 2wss n PRO 350 Cb 0.47 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.37 2wss n PRO 350 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wss n LEU 351 N -1.00 1.59 -0.15 1.53 4.77 -1.26 -4.63 117.00 117.83 2wss n LEU 351 Ca 0.19 0.13 -0.01 0.00 -0.03 0.00 0.00 56.01 56.29 2wss n LEU 351 Cb 0.09 -0.48 0.22 0.00 -2.33 0.00 0.00 43.42 40.92 2wss n LEU 351 CO 0.15 0.44 1.08 -0.78 -1.33 0.00 0.00 177.39 176.95 2wss h ASP 352 N -0.43 0.79 -3.86 -1.43 3.58 -1.94 -3.42 116.42 109.70 2wss h ASP 352 Ca -0.39 -0.09 -0.50 0.00 0.42 0.00 0.00 57.03 56.47 2wss h ASP 352 Cb 1.40 -0.20 0.02 0.00 1.72 0.00 0.00 39.33 42.26 2wss h ASP 352 CO -0.20 0.69 0.45 -0.44 -2.88 0.00 0.00 179.24 176.86 2wss s SER 353 N -6.50 7.07 0.14 2.28 0.01 -0.71 -4.87 113.70 111.12 2wss s SER 353 Ca -0.10 2.19 -0.24 0.00 1.31 0.00 0.00 55.95 59.11 2wss s SER 353 Cb 0.16 -2.61 0.07 0.00 0.21 0.00 0.00 66.02 63.86 2wss s SER 353 CO 0.79 -0.27 0.64 0.28 0.41 0.00 0.00 173.24 175.08 2wss s THR 354 N -1.33 0.00 0.00 1.44 -1.32 -1.06 -4.82 115.64 108.55 2wss s THR 354 Ca 0.49 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.98 2wss s THR 354 Cb -0.29 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 69.70 2wss s THR 354 CO 0.36 0.00 -0.04 -0.55 -2.21 0.00 0.00 174.62 172.18 2wss s SER 355 N -2.69 0.46 0.05 8.08 0.15 -1.26 0.16 113.70 118.66 2wss s SER 355 Ca 0.01 -0.12 0.22 0.00 0.70 0.00 0.00 55.95 56.77 2wss s SER 355 Cb -0.01 -0.04 0.92 0.00 -1.71 0.00 0.00 66.02 65.18 2wss s SER 355 CO -0.12 0.02 1.71 -1.14 1.20 0.00 0.00 173.24 174.90 2wss n ARG 356 N 2.83 0.05 -0.72 5.44 0.63 -0.86 -2.39 116.66 121.65 2wss n ARG 356 Ca -0.14 0.17 0.07 0.00 -0.92 0.00 0.00 57.85 57.03 2wss n ARG 356 Cb 0.58 -1.58 0.35 0.00 0.45 0.00 0.00 32.46 32.27 2wss n ARG 356 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 2wss n ILE 357 N -1.67 2.16 -0.96 5.15 -5.35 -1.26 -4.32 119.36 113.12 2wss n ILE 357 Ca 0.05 -1.18 -0.12 0.00 -0.27 0.00 0.00 62.75 61.23 2wss n ILE 357 Cb 0.27 -0.15 -0.12 0.00 -1.74 0.00 0.00 39.64 37.90 2wss n ILE 357 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 2wss n MET 358 N 0.74 1.86 -3.88 6.28 2.81 -1.01 -4.21 117.12 119.72 2wss n MET 358 Ca 0.24 -0.99 -0.35 0.00 -1.81 0.00 0.00 57.70 54.79 2wss n MET 358 Cb 1.00 -1.83 -0.09 0.00 -0.71 0.00 0.00 33.22 31.59 2wss n MET 358 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2wss s ASP 359 N 1.76 5.90 0.44 7.83 3.68 -1.26 -4.96 116.67 130.06 2wss s ASP 359 Ca 0.53 0.16 0.11 0.00 2.13 0.00 0.00 52.55 55.48 2wss s ASP 359 Cb 0.27 -2.02 0.97 0.00 -1.45 0.00 0.00 42.92 40.69 2wss s ASP 359 CO -0.02 0.18 2.04 1.55 0.13 0.00 0.00 175.17 179.04 2wss h PRO 360 N 6.65 0.24 -0.96 4.34 0.13 -1.87 0.55 132.00 141.08 2wss h PRO 360 Ca -0.39 -0.03 0.26 0.00 -0.87 0.00 0.00 66.00 64.97 2wss h PRO 360 Cb 1.16 -0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.19 2wss h PRO 360 CO 0.73 0.24 0.67 -0.91 -0.23 0.00 0.00 178.00 178.50 2wss h ASN 361 N 0.24 0.15 0.00 1.44 2.35 -1.93 -3.28 115.58 114.54 2wss h ASN 361 Ca 0.06 0.02 -0.29 0.00 -0.55 0.00 0.00 56.30 55.54 2wss h ASN 361 Cb 0.12 -0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.43 2wss h ASN 361 CO -0.00 0.05 -2.10 -0.38 -1.65 0.00 0.00 177.43 173.34 2wss n ILE 362 N -4.36 1.11 -1.38 2.81 5.41 0.15 -4.99 119.36 118.10 2wss n ILE 362 Ca 0.21 -0.48 0.00 0.00 1.00 0.00 0.00 62.75 63.48 2wss n ILE 362 Cb 0.94 -1.06 0.00 0.00 -0.71 0.00 0.00 39.64 38.81 2wss n ILE 362 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 2wss n VAL 363 N -2.96 0.00 -0.41 1.39 0.24 -0.96 -4.85 118.33 110.78 2wss n VAL 363 Ca -0.32 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 61.71 2wss n VAL 363 Cb 0.90 -0.07 0.23 0.00 -1.47 0.00 0.00 33.84 33.43 2wss n VAL 363 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wss n GLY 364 N 5.00 -3.02 0.03 7.63 0.00 -1.26 -4.79 105.19 108.78 2wss n GLY 364 Ca 0.00 -1.25 0.05 0.00 0.00 0.00 0.00 46.02 44.82 2wss n GLY 364 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wss n SER 365 N -3.89 0.80 0.06 1.61 7.64 -1.26 -3.76 113.62 114.81 2wss n SER 365 Ca 0.08 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.89 2wss n SER 365 Cb 0.52 1.62 -0.04 0.00 -1.01 0.00 0.00 64.21 65.31 2wss n SER 365 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2wss h GLU 366 N 0.00 -0.23 -0.66 1.43 4.81 -1.93 -2.10 114.58 115.90 2wss h GLU 366 Ca -0.11 0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.27 2wss h GLU 366 Cb 1.13 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 30.47 2wss h GLU 366 CO 0.01 0.00 0.17 1.25 -0.73 0.00 0.00 179.01 179.70 2wss h HIS 367 N -1.02 0.27 0.51 0.92 2.76 -1.92 0.12 115.15 116.79 2wss h HIS 367 Ca -0.02 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.16 2wss h HIS 367 Cb 0.34 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.29 2wss h HIS 367 CO 0.04 -0.03 -0.24 -0.92 -1.30 0.00 0.00 177.93 175.48 2wss h TYR 368 N 0.29 -0.63 -0.89 5.26 3.20 -1.69 -2.17 116.97 120.34 2wss h TYR 368 Ca 0.35 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.32 2wss h TYR 368 Cb 0.55 0.21 -0.08 0.00 1.54 0.00 0.00 36.73 38.94 2wss h TYR 368 CO -0.24 -0.31 0.52 -0.44 -1.64 0.00 0.00 178.16 176.05 2wss h ASP 369 N -0.91 0.73 0.46 -2.11 3.32 -0.69 0.97 116.42 118.20 2wss h ASP 369 Ca -0.07 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 2wss h ASP 369 Cb 0.60 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2wss h ASP 369 CO 0.11 0.39 -0.22 0.58 -1.72 0.00 0.00 179.24 178.38 2wss h VAL 370 N 0.83 0.52 -0.24 -1.35 2.07 -0.80 -1.94 116.25 115.34 2wss h VAL 370 Ca 0.44 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.79 2wss h VAL 370 Cb 0.46 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 2wss h VAL 370 CO -0.27 0.04 -0.17 0.00 0.02 0.00 0.00 177.57 177.19 2wss h ALA 371 N -0.30 -0.01 -0.45 1.67 0.00 -0.83 0.38 119.26 119.73 2wss h ALA 371 Ca -0.06 0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.06 2wss h ALA 371 Cb 0.54 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2wss h ALA 371 CO 0.10 -0.59 0.44 0.00 0.00 0.00 0.00 179.25 179.21 2wss h ARG 372 N -0.16 0.00 0.02 0.00 2.47 -0.79 0.91 114.38 116.83 2wss h ARG 372 Ca 0.13 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.85 2wss h ARG 372 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 2wss h ARG 372 CO -0.33 0.00 -0.01 0.78 0.56 0.00 0.00 179.97 180.97 2wss h GLY 373 N 0.00 -0.02 1.34 0.04 0.00 0.52 -1.17 103.07 103.77 2wss h GLY 373 Ca 0.21 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.57 2wss h GLY 373 CO -0.00 -0.01 0.40 -2.08 0.00 0.00 0.00 176.54 174.85 2wss h VAL 374 N -0.74 1.11 0.81 4.60 2.07 -0.25 -1.08 116.25 122.76 2wss h VAL 374 Ca -0.00 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 2wss h VAL 374 Cb 0.70 0.30 0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2wss h VAL 374 CO 0.00 0.14 -0.39 1.56 0.02 0.00 0.00 177.57 178.90 2wss h GLN 375 N 0.74 -1.05 -0.38 1.57 4.20 -0.88 -2.80 115.11 116.52 2wss h GLN 375 Ca 0.23 0.07 0.08 0.00 0.06 0.00 0.00 58.65 59.09 2wss h GLN 375 Cb 0.02 0.24 -0.08 0.00 0.30 0.00 0.00 27.48 27.96 2wss h GLN 375 CO -0.06 -0.70 -0.13 -0.22 -0.67 0.00 0.00 178.83 177.05 2wss h LYS 376 N -1.22 -0.05 -0.75 1.46 3.64 -0.85 -0.25 116.57 118.56 2wss h LYS 376 Ca -0.11 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.32 2wss h LYS 376 Cb 0.83 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.62 2wss h LYS 376 CO 0.18 -0.03 0.49 0.97 -2.27 0.00 0.00 179.45 178.79 2wss h ILE 377 N -0.05 1.08 -0.33 2.00 2.10 -1.31 -0.62 117.51 120.38 2wss h ILE 377 Ca 0.18 -0.30 -0.16 0.00 1.08 0.00 0.00 64.86 65.67 2wss h ILE 377 Cb 0.33 0.14 -0.01 0.00 -1.09 0.00 0.00 36.82 36.20 2wss h ILE 377 CO -0.41 0.16 -0.44 -0.07 -1.08 0.00 0.00 178.15 176.30 2wss h LEU 378 N 0.86 0.92 0.02 2.19 3.38 -0.78 -0.76 115.31 121.14 2wss h LEU 378 Ca 0.31 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 2wss h LEU 378 Cb 0.13 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2wss h LEU 378 CO -0.09 1.22 -0.01 1.56 0.09 0.00 0.00 178.44 181.20 2wss h GLN 379 N 0.68 -0.03 -0.73 1.13 4.20 -1.10 -2.51 115.11 116.75 2wss h GLN 379 Ca 0.04 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.90 2wss h GLN 379 Cb 1.02 0.01 -0.14 0.00 0.30 0.00 0.00 27.48 28.67 2wss h GLN 379 CO 0.10 0.41 -0.22 -0.44 -0.67 0.00 0.00 178.83 178.00 2wss h ASP 380 N -0.48 -0.82 0.00 1.46 3.32 -1.07 0.28 116.42 119.11 2wss h ASP 380 Ca -0.00 0.23 0.03 0.00 0.02 0.00 0.00 57.03 57.30 2wss h ASP 380 Cb 0.45 0.50 -0.03 0.00 0.22 0.00 0.00 39.33 40.47 2wss h ASP 380 CO 0.01 -0.26 -0.18 0.22 -1.72 0.00 0.00 179.24 177.30 2wss h TYR 381 N -0.03 -0.47 0.00 4.55 5.03 -1.16 -2.26 116.97 122.63 2wss h TYR 381 Ca 0.34 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.66 2wss h TYR 381 Cb 0.55 0.21 0.00 0.00 1.55 0.00 0.00 36.73 39.04 2wss h TYR 381 CO -0.62 -0.26 0.00 1.17 -1.32 0.00 0.00 178.16 177.13 2wss n LYS 382 N -5.31 0.02 -0.13 1.82 4.81 0.06 -1.38 118.16 118.05 2wss n LYS 382 Ca -0.05 0.02 -0.28 0.00 -0.87 0.00 0.00 58.31 57.13 2wss n LYS 382 Cb 0.23 -1.50 -0.10 0.00 0.02 0.00 0.00 35.03 33.67 2wss n LYS 382 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2wss n SER 383 N -1.02 1.95 0.24 3.14 7.64 -0.86 -4.25 113.62 120.46 2wss n SER 383 Ca 0.00 0.32 0.14 0.00 1.01 0.00 0.00 58.87 60.34 2wss n SER 383 Cb 0.00 -0.82 0.80 0.00 -1.01 0.00 0.00 64.21 63.18 2wss n SER 383 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2wss h LEU 384 N -0.91 0.00 -2.81 -3.43 3.38 -1.12 -0.24 115.31 110.18 2wss h LEU 384 Ca -0.63 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.34 2wss h LEU 384 Cb 1.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.34 2wss h LEU 384 CO -0.36 0.00 -0.00 1.56 0.09 0.00 0.00 178.44 179.73 2wss h GLN 385 N 0.00 0.00 0.00 1.13 4.20 -1.46 0.72 115.11 119.70 2wss h GLN 385 Ca 0.04 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 2wss h GLN 385 Cb 0.21 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 2wss h GLN 385 CO -0.00 0.00 -1.41 -0.25 -0.67 0.00 0.00 178.83 176.50 2wss n ASP 386 N -3.18 0.67 -0.02 1.46 8.00 -0.11 -3.01 116.55 120.36 2wss n ASP 386 Ca -0.03 0.28 -0.00 0.00 0.71 0.00 0.00 54.79 55.75 2wss n ASP 386 Cb 0.09 0.59 -0.00 0.00 -0.02 0.00 0.00 41.12 41.78 2wss n ASP 386 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2wss h ILE 387 N 0.00 0.00 -1.87 0.53 2.04 -0.95 -3.24 117.51 114.03 2wss h ILE 387 Ca -0.10 -0.46 0.55 0.00 1.00 0.00 0.00 64.86 65.86 2wss h ILE 387 Cb 1.33 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.32 2wss h ILE 387 CO 0.02 0.00 1.32 0.40 0.00 0.00 0.00 178.15 179.89 2wss h ILE 388 N -0.46 0.01 -0.01 -0.67 2.04 0.21 -0.46 117.51 118.17 2wss h ILE 388 Ca 0.00 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2wss h ILE 388 Cb 0.03 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.12 2wss h ILE 388 CO 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 178.15 178.11 2wss h ALA 389 N 1.12 0.02 -2.64 1.87 0.00 -1.64 -3.38 119.26 114.61 2wss h ALA 389 Ca 0.93 -0.32 -0.60 0.00 0.00 0.00 0.00 54.91 54.91 2wss h ALA 389 Cb 3.60 -0.00 -0.39 0.00 0.00 0.00 0.00 17.79 20.99 2wss h ALA 389 CO -0.09 -0.14 -0.83 0.96 0.00 0.00 0.00 179.25 179.14 2wss s ILE 390 N -3.74 1.20 0.00 0.00 -5.25 -0.26 -4.85 121.20 108.29 2wss s ILE 390 Ca -0.16 -3.11 0.00 0.00 -0.99 0.00 0.00 60.65 56.39 2wss s ILE 390 Cb 0.01 -1.81 0.00 0.00 2.95 0.00 0.00 42.46 43.61 2wss s ILE 390 CO 0.69 -1.13 0.00 -0.11 -1.79 0.00 0.00 174.94 172.60 2wss n LEU 391 N 2.67 0.00 0.00 0.37 -0.00 -0.74 -4.82 117.00 114.48 2wss n LEU 391 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.25 2wss n LEU 391 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 2wss n LEU 391 CO 0.15 -0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.15 2wss n GLY 392 N -0.74 4.29 0.19 -3.96 0.00 -1.24 -4.88 105.19 98.85 2wss n GLY 392 Ca 0.00 -0.53 0.09 0.00 0.00 0.00 0.00 46.02 45.59 2wss n GLY 392 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2wss h MET 393 N 0.00 0.00 -0.33 1.61 4.05 -1.91 -3.09 114.93 115.26 2wss h MET 393 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2wss h MET 393 Cb 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 2wss h MET 393 CO 0.00 0.12 0.00 -0.25 0.23 0.00 0.00 176.91 177.01 2wss n ASP 394 N -3.07 2.92 0.00 1.39 8.00 -1.26 -4.59 116.55 119.94 2wss n ASP 394 Ca 0.03 -1.89 0.06 0.00 0.71 0.00 0.00 54.79 53.69 2wss n ASP 394 Cb 0.59 -0.22 0.35 0.00 -0.02 0.00 0.00 41.12 41.82 2wss n ASP 394 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2wss n GLU 395 N 0.78 0.43 -4.12 -1.24 -0.58 -1.17 -4.71 120.64 110.03 2wss n GLU 395 Ca 0.13 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.54 2wss n GLU 395 Cb 0.44 -1.43 -0.07 0.00 -0.57 0.00 0.00 31.44 29.81 2wss n GLU 395 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2wss s LEU 396 N -1.86 3.85 1.20 -4.62 2.01 -1.26 -5.04 118.68 112.95 2wss s LEU 396 Ca 0.18 0.12 -0.17 0.00 0.01 0.00 0.00 54.13 54.27 2wss s LEU 396 Cb 0.08 -2.24 0.23 0.00 0.01 0.00 0.00 46.19 44.27 2wss s LEU 396 CO 0.14 0.27 0.50 -1.54 1.01 0.00 0.00 176.35 176.73 2wss n SER 397 N 1.20 -2.69 0.00 2.29 3.41 -1.26 -4.50 113.62 112.07 2wss n SER 397 Ca -0.13 -0.34 0.11 0.00 -0.26 0.00 0.00 58.87 58.24 2wss n SER 397 Cb 0.53 -1.01 0.62 0.00 -0.26 0.00 0.00 64.21 64.08 2wss n SER 397 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wss n GLU 398 N -3.57 0.62 -0.08 4.33 -0.58 -1.26 -0.18 120.64 119.92 2wss n GLU 398 Ca 0.04 0.01 -0.08 0.00 -0.42 0.00 0.00 57.16 56.71 2wss n GLU 398 Cb 0.55 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.88 2wss n GLU 398 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2wss h GLU 399 N 0.00 0.00 -0.70 3.49 4.81 -2.00 -3.30 114.58 116.88 2wss h GLU 399 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2wss h GLU 399 Cb 0.02 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 2wss h GLU 399 CO 0.00 0.25 0.28 -0.44 -0.73 0.00 0.00 179.01 178.37 2wss h ASP 400 N -1.00 0.96 -0.98 1.04 3.32 -1.85 -0.73 116.42 117.17 2wss h ASP 400 Ca -0.08 -0.17 0.33 0.00 0.02 0.00 0.00 57.03 57.13 2wss h ASP 400 Cb 0.65 -0.25 -0.18 0.00 0.22 0.00 0.00 39.33 39.77 2wss h ASP 400 CO -0.05 0.87 0.27 0.11 -1.72 0.00 0.00 179.24 178.73 2wss h LYS 401 N 1.00 0.04 0.06 3.56 1.57 -0.76 -0.05 116.57 121.98 2wss h LYS 401 Ca 0.23 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2wss h LYS 401 Cb 0.21 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2wss h LYS 401 CO -0.02 0.03 -0.03 1.25 -0.57 0.00 0.00 179.45 180.11 2wss h LEU 402 N 0.04 -0.07 -0.82 2.94 5.85 -1.25 -3.20 115.31 118.80 2wss h LEU 402 Ca 0.70 -0.56 0.20 0.00 0.84 0.00 0.00 57.88 59.06 2wss h LEU 402 Cb 1.64 0.02 -0.13 0.00 0.37 0.00 0.00 40.66 42.56 2wss h LEU 402 CO -0.82 0.63 0.21 0.71 -0.34 0.00 0.00 178.44 178.82 2wss h THR 403 N -0.88 0.40 -0.10 1.05 1.35 -0.31 1.42 112.91 115.83 2wss h THR 403 Ca -0.01 -0.08 0.03 0.00 -0.55 0.00 0.00 66.41 65.80 2wss h THR 403 Cb 0.62 0.14 -0.00 0.00 -1.73 0.00 0.00 68.15 67.18 2wss h THR 403 CO 0.01 0.04 0.13 0.58 -0.25 0.00 0.00 175.52 176.04 2wss h VAL 404 N 0.24 0.40 0.00 6.82 2.07 -1.13 0.06 116.25 124.72 2wss h VAL 404 Ca 0.49 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.84 2wss h VAL 404 Cb 0.93 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 2wss h VAL 404 CO -0.60 0.00 -1.09 -1.54 0.02 0.00 0.00 177.57 174.36 2wss n SER 405 N -3.68 1.85 -0.14 0.57 3.41 0.46 -2.95 113.62 113.14 2wss n SER 405 Ca -0.00 0.48 0.28 0.00 -0.26 0.00 0.00 58.87 59.37 2wss n SER 405 Cb 0.23 -0.93 0.62 0.00 -0.26 0.00 0.00 64.21 63.87 2wss n SER 405 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2wss h ARG 406 N -1.00 0.00 0.00 4.33 3.08 -0.54 -0.21 114.38 120.05 2wss h ARG 406 Ca -0.25 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.56 2wss h ARG 406 Cb 1.07 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.09 2wss h ARG 406 CO -0.15 0.00 -1.29 0.00 -1.07 0.00 0.00 179.97 177.46 2wss h ALA 407 N 1.02 0.27 -0.14 0.04 0.00 -1.13 -2.92 119.26 116.41 2wss h ALA 407 Ca 0.41 -1.22 0.04 0.00 0.00 0.00 0.00 54.91 54.14 2wss h ALA 407 Cb 2.21 0.75 -0.01 0.00 0.00 0.00 0.00 17.79 20.74 2wss h ALA 407 CO -0.00 0.72 0.13 0.00 0.00 0.00 0.00 179.25 180.09 2wss h ARG 408 N -0.98 0.00 0.10 0.00 3.08 -1.14 0.54 114.38 115.98 2wss h ARG 408 Ca -0.35 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.41 2wss h ARG 408 Cb 1.32 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.40 2wss h ARG 408 CO -0.21 0.00 -1.19 0.87 -1.07 0.00 0.00 179.97 178.37 2wss h LYS 409 N 0.00 0.56 0.01 0.04 1.57 -1.23 -3.31 116.57 114.20 2wss h LYS 409 Ca 0.06 -0.73 -0.00 0.00 -1.87 0.00 0.00 60.65 58.11 2wss h LYS 409 Cb 0.32 0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2wss h LYS 409 CO -0.00 1.32 -0.01 0.82 -0.57 0.00 0.00 179.45 181.01 2wss h ILE 410 N 0.26 1.04 0.00 1.86 2.04 -0.03 -2.57 117.51 120.11 2wss h ILE 410 Ca -0.16 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.54 2wss h ILE 410 Cb 1.86 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 39.09 2wss h ILE 410 CO 0.22 0.04 0.00 0.00 0.00 0.00 0.00 178.15 178.41 2wss n GLN 411 N -5.06 0.64 0.00 2.37 10.64 0.14 -2.68 117.38 123.43 2wss n GLN 411 Ca -0.07 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.10 2wss n GLN 411 Cb 0.06 -1.23 0.00 0.00 -0.86 0.00 0.00 30.24 28.22 2wss n GLN 411 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 2wss n ARG 412 N -0.02 0.00 0.00 2.61 0.63 -1.14 -4.46 116.66 114.28 2wss n ARG 412 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2wss n ARG 412 Cb 0.11 -0.79 0.00 0.00 0.45 0.00 0.00 32.46 32.24 2wss n ARG 412 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2wss n PHE 413 N -2.33 0.00 -0.05 -0.14 7.35 -0.98 -1.47 117.46 119.84 2wss n PHE 413 Ca 0.00 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.63 2wss n PHE 413 Cb 0.36 -0.01 -0.07 0.00 0.35 0.00 0.00 39.48 40.11 2wss n PHE 413 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2wss n LEU 414 N -0.17 0.56 -4.76 -2.13 4.77 -1.21 -4.93 117.00 109.13 2wss n LEU 414 Ca 0.00 -0.01 -0.31 0.00 -0.03 0.00 0.00 56.01 55.65 2wss n LEU 414 Cb 0.03 0.11 0.09 0.00 -2.33 0.00 0.00 43.42 41.32 2wss n LEU 414 CO 0.00 0.33 0.71 -0.94 -1.33 0.00 0.00 177.39 176.16 2wss s SER 415 N -4.39 4.46 -0.06 -1.43 1.04 -0.54 -4.23 113.70 108.56 2wss s SER 415 Ca -0.07 1.88 -0.30 0.00 0.48 0.00 0.00 55.95 57.94 2wss s SER 415 Cb 0.03 -2.53 0.11 0.00 0.10 0.00 0.00 66.02 63.73 2wss s SER 415 CO 0.38 -2.07 0.95 0.00 0.98 0.00 0.00 173.24 173.49 2wss s GLN 416 N -4.76 0.71 -0.05 4.02 -2.07 0.45 -4.15 119.66 113.81 2wss s GLN 416 Ca 0.63 -0.21 -0.27 0.00 -1.82 0.00 0.00 55.36 53.69 2wss s GLN 416 Cb -0.18 0.33 -0.03 0.00 -1.09 0.00 0.00 33.01 32.04 2wss s GLN 416 CO 0.54 -0.30 0.85 -1.25 -1.32 0.00 0.00 175.29 173.81 2wss s PRO 417 N -2.73 4.47 -0.13 9.60 0.04 -1.26 -4.42 135.00 140.58 2wss s PRO 417 Ca 0.05 1.14 -0.14 0.00 0.04 0.00 0.00 61.00 62.09 2wss s PRO 417 Cb -0.01 -3.47 -0.05 0.00 0.04 0.00 0.00 34.50 31.01 2wss s PRO 417 CO -0.07 -0.05 0.32 -0.06 0.04 0.00 0.00 177.00 177.18 2wss s PHE 418 N 1.12 3.52 0.52 0.56 2.99 -1.26 -2.28 117.98 123.16 2wss s PHE 418 Ca 0.44 0.69 0.22 0.00 0.00 0.00 0.00 56.93 58.29 2wss s PHE 418 Cb -0.19 -2.33 1.34 0.00 0.00 0.00 0.00 43.02 41.84 2wss s PHE 418 CO 0.21 0.33 2.03 0.37 -0.00 0.00 0.00 175.22 178.17 2wss h GLN 419 N 6.23 0.03 0.00 0.44 4.15 -1.85 0.69 115.11 124.80 2wss h GLN 419 Ca -0.44 -0.00 -0.05 0.00 0.77 0.00 0.00 58.65 58.93 2wss h GLN 419 Cb 1.18 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.86 2wss h GLN 419 CO 0.72 0.02 -0.24 0.28 -1.93 0.00 0.00 178.83 177.68 2wss h VAL 420 N 0.03 1.05 -1.89 2.39 2.07 -1.92 -3.05 116.25 114.92 2wss h VAL 420 Ca 0.19 -0.86 -0.56 0.00 0.82 0.00 0.00 66.70 66.29 2wss h VAL 420 Cb 0.74 1.48 -0.42 0.00 -1.52 0.00 0.00 31.29 31.57 2wss h VAL 420 CO -0.01 0.23 -0.76 0.00 0.02 0.00 0.00 177.57 177.05 2wss n ALA 421 N -2.44 4.50 -0.05 1.67 0.00 0.20 -4.60 120.51 119.80 2wss n ALA 421 Ca -0.02 -4.34 -0.01 0.00 0.00 0.00 0.00 53.44 49.06 2wss n ALA 421 Cb 0.31 -0.69 -0.00 0.00 0.00 0.00 0.00 19.45 19.06 2wss n ALA 421 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2wss h GLU 422 N 2.84 0.00 0.00 0.00 5.08 -1.36 -3.32 114.58 117.83 2wss h GLU 422 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2wss h GLU 422 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2wss h GLU 422 CO 0.78 0.00 0.00 0.28 -1.00 0.00 0.00 179.01 179.07 2wss n VAL 423 N -4.38 0.00 0.04 3.13 0.31 -1.26 0.37 118.33 116.54 2wss n VAL 423 Ca -0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.18 2wss n VAL 423 Cb 0.08 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 32.87 2wss n VAL 423 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 2wss h PHE 424 N 0.00 0.23 0.00 3.52 3.57 -1.88 -3.40 116.94 118.98 2wss h PHE 424 Ca 0.00 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.33 2wss h PHE 424 Cb 0.00 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.73 2wss h PHE 424 CO 0.00 1.21 -0.05 1.79 -2.23 0.00 0.00 178.31 179.03 2wss h THR 425 N 0.04 0.00 0.00 4.41 1.35 -0.17 -3.48 112.91 115.05 2wss h THR 425 Ca -0.21 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 2wss h THR 425 Cb 1.96 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 2wss h THR 425 CO 0.13 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.01 2wss n GLY 426 N 1.79 2.64 3.57 5.82 0.00 0.39 -5.03 105.19 114.36 2wss n GLY 426 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 2wss n GLY 426 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wss s HIS 427 N -2.38 1.38 0.43 1.61 3.76 -1.26 -4.96 115.29 113.86 2wss s HIS 427 Ca 0.00 1.04 -0.22 0.00 -0.15 0.00 0.00 55.06 55.73 2wss s HIS 427 Cb 0.00 -3.87 -0.12 0.00 1.11 0.00 0.00 32.58 29.70 2wss s HIS 427 CO 0.00 -2.75 0.60 -0.11 -0.85 0.00 0.00 174.74 171.63 2wss n LEU 428 N 13.49 0.35 -4.57 0.89 0.00 -1.26 -4.19 117.00 121.71 2wss n LEU 428 Ca 0.29 0.92 -0.33 0.00 0.00 0.00 0.00 56.01 56.88 2wss n LEU 428 Cb 0.51 -1.15 -0.11 0.00 0.00 0.00 0.00 43.42 42.67 2wss n LEU 428 CO 0.70 -2.72 -0.40 -0.83 0.00 0.00 0.00 177.39 174.15 2wss s GLY 429 N -0.94 1.68 0.30 -3.96 0.00 -1.26 -4.81 107.32 98.33 2wss s GLY 429 Ca 0.64 -0.95 0.08 0.00 0.00 0.00 0.00 44.72 44.48 2wss s GLY 429 CO 0.58 -0.76 0.13 0.54 0.00 0.00 0.00 173.10 173.58 2wss s LYS 430 N -1.01 2.52 -0.40 2.90 -0.14 -0.96 -4.60 119.74 118.04 2wss s LYS 430 Ca 0.14 -1.36 0.03 0.00 -1.36 0.00 0.00 55.97 53.42 2wss s LYS 430 Cb -0.11 -2.30 0.16 0.00 -1.68 0.00 0.00 37.83 33.91 2wss s LYS 430 CO 0.03 0.26 0.33 -1.17 -0.76 0.00 0.00 175.35 174.04 2wss s LEU 431 N -3.81 1.17 -0.11 3.17 2.96 -1.26 -4.73 118.68 116.06 2wss s LEU 431 Ca 0.35 -2.81 -0.29 0.00 -0.22 0.00 0.00 54.13 51.16 2wss s LEU 431 Cb -0.05 -0.32 -0.05 0.00 0.50 0.00 0.00 46.19 46.27 2wss s LEU 431 CO 0.23 -0.20 1.70 -0.69 -1.32 0.00 0.00 176.35 176.07 2wss s VAL 432 N 0.33 3.54 0.42 1.68 1.01 -0.92 -4.92 120.40 121.54 2wss s VAL 432 Ca 0.29 0.63 -0.26 0.00 0.00 0.00 0.00 61.98 62.64 2wss s VAL 432 Cb -0.02 -3.47 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 2wss s VAL 432 CO -0.15 -0.13 1.46 -2.65 0.00 0.00 0.00 175.10 173.64 2wss n PRO 433 N 7.43 2.44 0.03 2.72 -0.02 -1.26 -4.29 135.00 142.05 2wss n PRO 433 Ca 0.19 0.86 0.13 0.00 -2.02 0.00 0.00 63.50 62.66 2wss n PRO 433 Cb 0.44 -2.66 0.54 0.00 -0.02 0.00 0.00 33.50 31.80 2wss n PRO 433 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2wss n LEU 434 N 0.05 0.22 -0.14 2.45 -0.00 -1.26 -1.63 117.00 116.69 2wss n LEU 434 Ca 0.04 0.52 -0.05 0.00 -0.00 0.00 0.00 56.01 56.52 2wss n LEU 434 Cb 0.40 -0.46 0.04 0.00 -0.00 0.00 0.00 43.42 43.40 2wss n LEU 434 CO 0.61 -0.08 0.98 0.11 -0.00 0.00 0.00 177.39 179.02 2wss h LYS 435 N 0.00 0.38 0.34 1.47 1.57 -2.00 -0.95 116.57 117.38 2wss h LYS 435 Ca 0.00 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2wss h LYS 435 Cb 0.54 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2wss h LYS 435 CO 0.00 0.25 -0.16 0.93 -0.57 0.00 0.00 179.45 179.90 2wss h GLU 436 N 0.39 -0.44 -0.80 3.15 5.08 -1.68 -3.01 114.58 117.27 2wss h GLU 436 Ca 0.20 0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.76 2wss h GLU 436 Cb 0.14 0.10 -0.11 0.00 0.50 0.00 0.00 28.75 29.38 2wss h GLU 436 CO -0.16 -0.23 0.27 1.15 -1.00 0.00 0.00 179.01 179.04 2wss h THR 437 N -0.55 0.52 -0.18 1.13 2.02 -1.22 0.03 112.91 114.66 2wss h THR 437 Ca -0.05 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 2wss h THR 437 Cb 0.41 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 2wss h THR 437 CO 0.08 0.06 0.02 0.40 0.37 0.00 0.00 175.52 176.45 2wss h ILE 438 N 0.35 1.23 -0.00 3.11 2.04 -1.12 -2.83 117.51 120.29 2wss h ILE 438 Ca 0.47 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 2wss h ILE 438 Cb 0.82 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.28 2wss h ILE 438 CO -0.50 0.23 0.00 0.07 0.00 0.00 0.00 178.15 177.95 2wss h LYS 439 N 0.09 0.01 -0.94 2.37 2.10 -1.21 -0.40 116.57 118.59 2wss h LYS 439 Ca 0.05 -0.00 0.28 0.00 -2.00 0.00 0.00 60.65 58.98 2wss h LYS 439 Cb 0.33 -0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 31.49 2wss h LYS 439 CO 0.00 0.25 0.20 0.78 -2.00 0.00 0.00 179.45 178.68 2wss h GLY 440 N -0.24 1.46 1.64 0.07 0.00 -1.03 0.85 103.07 105.82 2wss h GLY 440 Ca 0.00 0.02 -0.25 0.00 0.00 0.00 0.00 47.33 47.10 2wss h GLY 440 CO 0.00 -0.49 -1.25 0.74 0.00 0.00 0.00 176.54 175.54 2wss h PHE 441 N 0.10 0.20 0.00 5.60 -1.00 -1.31 -2.96 116.94 117.58 2wss h PHE 441 Ca 0.62 -0.15 -0.01 0.00 2.81 0.00 0.00 57.97 61.24 2wss h PHE 441 Cb 1.33 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 40.88 2wss h PHE 441 CO -0.31 1.14 -0.04 0.37 -1.61 0.00 0.00 178.31 177.86 2wss h GLN 442 N 0.03 0.00 0.13 1.51 4.15 0.84 -2.62 115.11 119.15 2wss h GLN 442 Ca -0.12 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 58.99 2wss h GLN 442 Cb 1.90 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.58 2wss h GLN 442 CO 0.15 0.04 -1.61 1.96 -1.93 0.00 0.00 178.83 177.43 2wss h GLN 443 N 0.00 0.28 0.00 1.69 4.20 -1.04 -2.83 115.11 117.41 2wss h GLN 443 Ca -0.00 -0.47 0.00 0.00 0.06 0.00 0.00 58.65 58.24 2wss h GLN 443 Cb 0.29 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2wss h GLN 443 CO 0.00 1.23 0.00 -0.89 -0.67 0.00 0.00 178.83 178.50 2wss n ILE 444 N -3.77 0.20 -0.04 2.54 5.41 -1.11 -1.43 119.36 121.16 2wss n ILE 444 Ca -0.27 0.05 -0.02 0.00 1.00 0.00 0.00 62.75 63.51 2wss n ILE 444 Cb 0.97 -0.69 -0.14 0.00 -0.71 0.00 0.00 39.64 39.07 2wss n ILE 444 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2wss n LEU 445 N -1.18 0.29 -0.27 1.39 4.77 -1.01 -4.39 117.00 116.61 2wss n LEU 445 Ca 0.13 0.13 0.05 0.00 -0.03 0.00 0.00 56.01 56.29 2wss n LEU 445 Cb 0.14 0.24 0.18 0.00 -2.33 0.00 0.00 43.42 41.66 2wss n LEU 445 CO 0.15 0.28 1.08 0.00 -1.33 0.00 0.00 177.39 177.57 2wss h ALA 446 N 1.35 1.13 0.00 -1.18 0.00 -0.97 -3.45 119.26 116.15 2wss h ALA 446 Ca -0.30 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2wss h ALA 446 Cb 1.75 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.53 2wss h ALA 446 CO 0.03 -0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.61 2wss n GLY 447 N -1.32 1.13 0.72 0.00 0.00 -1.21 -5.00 105.19 99.52 2wss n GLY 447 Ca 0.14 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.19 2wss n GLY 447 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wss n GLU 448 N -1.68 1.96 0.00 1.61 2.13 -1.11 -3.46 120.64 120.09 2wss n GLU 448 Ca 0.00 -0.99 0.00 0.00 0.66 0.00 0.00 57.16 56.83 2wss n GLU 448 Cb 0.00 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 30.23 2wss n GLU 448 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2wss n TYR 449 N 0.22 0.00 0.23 4.31 4.02 -1.26 -4.94 117.16 119.75 2wss n TYR 449 Ca 0.09 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.09 2wss n TYR 449 Cb 0.39 0.15 0.40 0.00 -0.02 0.00 0.00 39.34 40.26 2wss n TYR 449 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 2wss h ASP 450 N 0.00 0.00 0.67 7.72 3.32 -1.93 0.26 116.42 126.46 2wss h ASP 450 Ca 0.00 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 2wss h ASP 450 Cb 0.96 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.47 2wss h ASP 450 CO 0.00 0.00 -1.44 1.12 -1.72 0.00 0.00 179.24 177.20 2wss h HIS 451 N 0.00 0.04 -4.22 4.55 2.07 -1.92 -3.47 115.15 112.19 2wss h HIS 451 Ca 0.09 -0.03 -0.53 0.00 -2.85 0.00 0.00 60.37 57.05 2wss h HIS 451 Cb 1.62 -0.00 0.18 0.00 2.57 0.00 0.00 27.41 31.78 2wss h HIS 451 CO 0.00 1.04 0.31 -0.51 -3.07 0.00 0.00 177.93 175.70 2wss s LEU 452 N -6.39 3.07 0.60 6.12 1.43 0.92 -4.98 118.68 119.45 2wss s LEU 452 Ca -0.03 2.31 -0.15 0.00 -1.03 0.00 0.00 54.13 55.23 2wss s LEU 452 Cb 0.09 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.69 2wss s LEU 452 CO 0.82 -2.75 1.05 -2.84 0.23 0.00 0.00 176.35 172.86 2wss s PRO 453 N -4.27 3.33 0.00 1.29 0.02 -1.26 -5.01 135.00 129.10 2wss s PRO 453 Ca 0.71 1.15 0.00 0.00 0.02 0.00 0.00 61.00 62.89 2wss s PRO 453 Cb -0.27 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.21 2wss s PRO 453 CO 0.52 -0.79 0.39 -1.91 -0.33 0.00 0.00 177.00 174.88 2wss n GLU 454 N -2.12 0.00 -0.38 5.54 2.13 -1.26 -3.36 120.64 121.19 2wss n GLU 454 Ca 0.08 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.87 2wss n GLU 454 Cb 0.53 -0.89 -0.05 0.00 0.27 0.00 0.00 31.44 31.30 2wss n GLU 454 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2wss n GLN 455 N -0.40 0.77 -0.00 5.31 1.13 -1.26 -1.73 117.38 121.19 2wss n GLN 455 Ca 0.00 -0.31 0.05 0.00 -1.94 0.00 0.00 57.00 54.80 2wss n GLN 455 Cb 0.00 -1.59 -0.06 0.00 0.11 0.00 0.00 30.24 28.70 2wss n GLN 455 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wss n ALA 456 N 2.47 3.32 1.03 -1.58 0.00 -1.21 -4.37 120.51 120.16 2wss n ALA 456 Ca 0.14 -0.29 0.11 0.00 0.00 0.00 0.00 53.44 53.39 2wss n ALA 456 Cb 0.36 -0.38 0.06 0.00 0.00 0.00 0.00 19.45 19.49 2wss n ALA 456 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wss n PHE 457 N -1.27 0.00 -2.10 0.00 0.99 -0.71 -4.59 117.46 109.79 2wss n PHE 457 Ca 0.02 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.05 2wss n PHE 457 Cb 0.17 -0.08 -0.03 0.00 -1.00 0.00 0.00 39.48 38.54 2wss n PHE 457 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.76 176.29 2wss s TYR 458 N -2.87 2.59 -0.56 1.38 5.04 -1.26 -2.61 117.35 119.06 2wss s TYR 458 Ca 0.12 0.57 -0.06 0.00 -2.44 0.00 0.00 57.07 55.26 2wss s TYR 458 Cb 0.17 -3.80 0.01 0.00 0.35 0.00 0.00 41.96 38.69 2wss s TYR 458 CO 0.74 -3.11 0.61 -1.33 -1.34 0.00 0.00 175.55 171.12 2wss n MET 459 N 5.72 -1.63 -3.52 4.97 2.81 -1.25 -5.03 117.12 119.20 2wss n MET 459 Ca 0.15 1.66 -0.17 0.00 -1.81 0.00 0.00 57.70 57.53 2wss n MET 459 Cb 0.42 -5.41 -0.06 0.00 -0.71 0.00 0.00 33.22 27.47 2wss n MET 459 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2wss s VAL 460 N -2.79 0.00 0.00 2.03 -7.23 -1.26 -4.81 120.40 106.35 2wss s VAL 460 Ca 0.10 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.27 2wss s VAL 460 Cb -0.03 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.91 2wss s VAL 460 CO 0.70 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.10 2wss n GLY 461 N 0.77 -1.99 3.60 2.32 0.00 -1.26 -4.78 105.19 103.85 2wss n GLY 461 Ca -0.18 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 2wss n GLY 461 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wss s PRO 462 N 0.00 0.04 0.46 1.61 0.02 -1.26 -4.87 135.00 131.00 2wss s PRO 462 Ca 0.00 0.82 0.11 0.00 0.02 0.00 0.00 61.00 61.96 2wss s PRO 462 Cb 0.00 -1.67 1.06 0.00 0.02 0.00 0.00 34.50 33.91 2wss s PRO 462 CO 0.00 -3.08 2.10 0.97 -0.33 0.00 0.00 177.00 176.67 2wss h ILE 463 N -2.16 1.05 0.01 2.83 6.09 -1.92 -2.95 117.51 120.46 2wss h ILE 463 Ca -0.56 -0.10 -0.00 0.00 -1.37 0.00 0.00 64.86 62.83 2wss h ILE 463 Cb 1.32 0.75 0.00 0.00 0.47 0.00 0.00 36.82 39.36 2wss h ILE 463 CO 0.52 0.05 -0.00 -0.33 -3.07 0.00 0.00 178.15 175.32 2wss h GLU 464 N 0.28 -0.01 -1.15 2.19 3.07 -1.99 -1.12 114.58 115.85 2wss h GLU 464 Ca 0.08 0.00 0.33 0.00 -0.50 0.00 0.00 59.36 59.27 2wss h GLU 464 Cb -0.03 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.84 2wss h GLU 464 CO -0.02 0.18 0.95 0.93 -1.40 0.00 0.00 179.01 179.66 2wss h GLU 465 N -0.20 0.00 0.10 2.33 5.08 -1.86 0.62 114.58 120.66 2wss h GLU 465 Ca -0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.02 2wss h GLU 465 Cb 0.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2wss h GLU 465 CO 0.00 0.00 -1.80 0.00 -1.00 0.00 0.00 179.01 176.21 2wss h ALA 466 N 1.18 0.44 0.12 3.43 0.00 -1.45 -2.46 119.26 120.52 2wss h ALA 466 Ca 0.55 -1.32 0.01 0.00 0.00 0.00 0.00 54.91 54.16 2wss h ALA 466 Cb 2.45 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 20.72 2wss h ALA 466 CO -0.01 1.30 -0.50 0.28 0.00 0.00 0.00 179.25 180.32 2wss h VAL 467 N 0.06 0.04 0.00 0.00 2.07 0.66 -1.77 116.25 117.31 2wss h VAL 467 Ca -0.34 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.18 2wss h VAL 467 Cb 2.03 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 2wss h VAL 467 CO 0.11 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.70 2wss n ALA 468 N -2.91 1.98 0.08 1.67 0.00 0.18 -1.47 120.51 120.05 2wss n ALA 468 Ca -0.08 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.42 2wss n ALA 468 Cb 0.41 -1.14 0.28 0.00 0.00 0.00 0.00 19.45 19.00 2wss n ALA 468 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2wss n LYS 469 N -0.80 2.48 -0.00 0.00 4.81 -0.67 -3.71 118.16 120.27 2wss n LYS 469 Ca 0.06 -2.28 0.05 0.00 -0.87 0.00 0.00 58.31 55.27 2wss n LYS 469 Cb 0.03 -1.51 -0.07 0.00 0.02 0.00 0.00 35.03 33.50 2wss n LYS 469 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wss n ALA 470 N 1.39 2.51 0.20 3.14 0.00 -0.54 -4.00 120.51 123.21 2wss n ALA 470 Ca 0.21 -0.25 0.07 0.00 0.00 0.00 0.00 53.44 53.48 2wss n ALA 470 Cb 0.56 -0.35 0.37 0.00 0.00 0.00 0.00 19.45 20.03 2wss n ALA 470 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2wss h ASP 471 N 0.00 0.00 -0.59 0.00 5.19 -1.65 -1.77 116.42 117.60 2wss h ASP 471 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2wss h ASP 471 Cb 0.42 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.93 2wss h ASP 471 CO 0.00 0.32 0.00 0.29 -3.12 0.00 0.00 179.24 176.73 2wss n LYS 472 N -3.48 3.76 -3.39 3.56 4.76 -1.24 -4.58 118.16 117.55 2wss n LYS 472 Ca -0.00 -2.87 -0.37 0.00 -2.87 0.00 0.00 58.31 52.20 2wss n LYS 472 Cb 0.48 -1.90 -0.04 0.00 -1.84 0.00 0.00 35.03 31.74 2wss n LYS 472 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2wss n LEU 473 N 0.89 4.86 0.00 -0.35 4.77 -0.67 -5.07 117.00 121.44 2wss n LEU 473 Ca 0.25 -5.21 0.00 0.00 -0.03 0.00 0.00 56.01 51.02 2wss n LEU 473 Cb 0.90 -1.10 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 2wss n LEU 473 CO 0.23 1.68 0.00 0.00 -1.33 0.00 0.00 177.39 177.97