#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uww s VAL 9 N 0.00 3.81 0.42 2.52 1.01 -1.26 -5.02 120.40 121.88 1uww s VAL 9 Ca 0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 1uww s VAL 9 Cb 0.00 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 1uww s VAL 9 CO 0.00 0.22 0.64 -1.00 0.00 0.00 0.00 175.10 174.96 1uww s HIS 10 N 1.50 3.33 0.96 5.22 0.09 -1.26 -4.62 115.29 120.52 1uww s HIS 10 Ca 0.04 0.31 -0.11 0.00 -0.00 0.00 0.00 55.06 55.30 1uww s HIS 10 Cb -0.16 -2.18 0.17 0.00 -0.00 0.00 0.00 32.58 30.40 1uww s HIS 10 CO 0.01 -0.20 1.10 -0.51 -0.00 0.00 0.00 174.74 175.14 1uww s ASP 11 N -4.15 2.69 0.26 1.40 1.01 -0.47 -4.93 116.67 112.48 1uww s ASP 11 Ca 0.46 1.88 -0.31 0.00 0.71 0.00 0.00 52.55 55.29 1uww s ASP 11 Cb -0.10 -2.44 -0.13 0.00 1.01 0.00 0.00 42.92 41.26 1uww s ASP 11 CO 0.38 -3.19 1.39 -2.65 0.21 0.00 0.00 175.17 171.31 1uww n PRO 12 N -4.28 2.08 -0.20 8.23 -0.02 -1.26 -4.76 135.00 134.80 1uww n PRO 12 Ca 0.09 0.74 -0.09 0.00 -2.02 0.00 0.00 63.50 62.21 1uww n PRO 12 Cb 0.53 -2.39 0.02 0.00 -0.02 0.00 0.00 33.50 31.64 1uww n PRO 12 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1uww h LYS 13 N 3.94 1.02 0.00 -0.52 3.64 -1.91 -0.31 116.57 122.42 1uww h LYS 13 Ca -0.45 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 58.60 1uww h LYS 13 Cb 1.27 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1uww h LYS 13 CO 0.73 1.02 0.00 0.41 -2.27 0.00 0.00 179.45 179.34 1uww n GLY 14 N -0.39 -1.10 3.79 5.01 0.00 -1.26 -0.77 105.19 110.46 1uww n GLY 14 Ca 0.02 -1.16 -0.32 0.00 0.00 0.00 0.00 46.02 44.56 1uww n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uww s GLU 15 N 0.00 3.04 -0.08 1.61 0.41 -1.26 -4.01 118.70 118.41 1uww s GLU 15 Ca 0.00 -0.55 -0.30 0.00 -0.41 0.00 0.00 54.97 53.72 1uww s GLU 15 Cb 0.00 -2.83 -0.05 0.00 -1.78 0.00 0.00 34.13 29.47 1uww s GLU 15 CO 0.00 0.62 1.66 0.00 -0.49 0.00 0.00 175.26 177.05 1uww s ALA 16 N -1.28 3.56 -0.04 5.21 0.00 -1.25 -3.17 121.76 124.78 1uww s ALA 16 Ca 0.26 0.87 0.01 0.00 0.00 0.00 0.00 51.96 53.10 1uww s ALA 16 Cb -0.12 -3.77 0.02 0.00 0.00 0.00 0.00 23.12 19.25 1uww s ALA 16 CO 0.18 -1.49 -0.06 0.08 0.00 0.00 0.00 175.76 174.46 1uww s VAL 17 N 4.27 0.62 -0.04 0.00 1.01 -1.12 -4.94 120.40 120.20 1uww s VAL 17 Ca 0.74 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1uww s VAL 17 Cb -0.32 -0.62 0.03 0.00 0.00 0.00 0.00 36.38 35.46 1uww s VAL 17 CO 0.29 0.24 -0.01 -0.22 0.00 0.00 0.00 175.10 175.40 1uww s LEU 18 N 0.82 1.04 0.43 3.92 2.96 -1.26 -3.49 118.68 123.10 1uww s LEU 18 Ca -0.12 -0.07 -0.26 0.00 -0.22 0.00 0.00 54.13 53.46 1uww s LEU 18 Cb -0.14 -0.35 -0.09 0.00 0.50 0.00 0.00 46.19 46.11 1uww s LEU 18 CO 0.01 -0.11 1.40 -2.65 -1.32 0.00 0.00 176.35 173.68 1uww n PRO 19 N 4.39 2.27 -3.37 0.98 -0.02 -1.26 -5.06 135.00 132.93 1uww n PRO 19 Ca -0.20 0.80 -0.42 0.00 -2.02 0.00 0.00 63.50 61.66 1uww n PRO 19 Cb 0.50 -2.57 -0.09 0.00 -0.02 0.00 0.00 33.50 31.32 1uww n PRO 19 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1uww s SER 20 N -0.41 6.18 -0.01 2.55 0.01 -0.16 -4.91 113.70 116.95 1uww s SER 20 Ca 0.59 -0.55 0.09 0.00 1.31 0.00 0.00 55.95 57.39 1uww s SER 20 Cb -0.47 -2.20 -0.11 0.00 0.21 0.00 0.00 66.02 63.44 1uww s SER 20 CO 0.59 -0.47 0.29 1.33 0.41 0.00 0.00 173.24 175.39 1uww n VAL 21 N 5.33 0.00 -3.30 3.43 0.24 -1.26 -1.25 118.33 121.52 1uww n VAL 21 Ca -0.08 -0.26 -0.22 0.00 -2.04 0.00 0.00 64.34 61.74 1uww n VAL 21 Cb 0.48 0.71 0.06 0.00 -1.47 0.00 0.00 33.84 33.61 1uww n VAL 21 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1uww n PHE 22 N -1.46 -2.35 0.03 6.34 3.72 -1.26 -4.67 117.46 117.81 1uww n PHE 22 Ca 0.00 0.76 0.09 0.00 -0.05 0.00 0.00 57.45 58.26 1uww n PHE 22 Cb 0.17 -4.58 0.20 0.00 -0.94 0.00 0.00 39.48 34.33 1uww n PHE 22 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1uww n GLU 23 N -4.35 2.42 -0.34 -1.08 -0.58 -1.26 -4.43 120.64 111.02 1uww n GLU 23 Ca -0.04 -2.17 0.08 0.00 -0.42 0.00 0.00 57.16 54.61 1uww n GLU 23 Cb 0.58 -1.42 0.22 0.00 -0.57 0.00 0.00 31.44 30.25 1uww n GLU 23 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1uww n ASP 24 N 1.15 3.46 0.00 1.62 5.68 -1.26 -4.96 116.55 122.24 1uww n ASP 24 Ca 0.17 -2.89 0.00 0.00 -0.50 0.00 0.00 54.79 51.57 1uww n ASP 24 Cb 0.52 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 1uww n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1uww n GLY 25 N -0.56 0.33 3.50 6.12 0.00 -1.26 -5.01 105.19 108.30 1uww n GLY 25 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1uww n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uww s THR 26 N -1.68 1.54 -2.01 2.61 -4.23 -1.26 -4.37 115.64 106.24 1uww s THR 26 Ca 0.00 -2.03 0.24 0.00 -1.18 0.00 0.00 61.69 58.72 1uww s THR 26 Cb 0.00 -2.78 0.67 0.00 1.34 0.00 0.00 72.50 71.73 1uww s THR 26 CO 0.00 -0.07 1.90 0.54 -0.54 0.00 0.00 174.62 176.46 1uww n ARG 27 N -0.75 1.02 -4.22 3.99 1.74 -0.13 -4.68 116.66 113.64 1uww n ARG 27 Ca -0.04 -0.03 -0.34 0.00 -0.77 0.00 0.00 57.85 56.67 1uww n ARG 27 Cb 0.66 -1.37 -0.04 0.00 -1.02 0.00 0.00 32.46 30.69 1uww n ARG 27 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1uww n GLN 28 N -0.84 -2.62 -0.36 5.56 6.02 -0.73 -1.39 117.38 123.03 1uww n GLN 28 Ca 0.18 0.32 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 1uww n GLN 28 Cb 0.09 -4.75 0.00 0.00 1.02 0.00 0.00 30.24 26.60 1uww n GLN 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1uww n GLY 29 N -1.62 1.11 3.76 1.08 0.00 0.05 -2.79 105.19 106.78 1uww n GLY 29 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 1uww n GLY 29 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1uww s TRP 30 N -2.93 3.93 0.33 1.61 0.52 -0.49 -4.37 118.94 117.55 1uww s TRP 30 Ca 0.00 1.85 -0.10 0.00 0.02 0.00 0.00 56.10 57.87 1uww s TRP 30 Cb 0.00 -2.94 0.02 0.00 -1.15 0.00 0.00 33.47 29.40 1uww s TRP 30 CO 0.00 0.43 0.59 0.34 0.02 0.00 0.00 176.95 178.33 1uww s ASP 31 N -1.24 0.34 0.17 2.95 -1.08 -0.70 -4.87 116.67 112.24 1uww s ASP 31 Ca 0.42 -1.21 -0.30 0.00 -0.52 0.00 0.00 52.55 50.94 1uww s ASP 31 Cb -0.24 0.71 -0.07 0.00 -1.46 0.00 0.00 42.92 41.85 1uww s ASP 31 CO 0.30 -1.39 1.06 0.26 0.52 0.00 0.00 175.17 175.91 1uww s TRP 32 N -3.08 3.67 0.59 -5.34 0.23 -1.26 -0.51 118.94 113.24 1uww s TRP 32 Ca 0.23 1.67 -0.19 0.00 -2.03 0.00 0.00 56.10 55.78 1uww s TRP 32 Cb -0.02 -3.20 -0.04 0.00 0.03 0.00 0.00 33.47 30.24 1uww s TRP 32 CO 0.14 -0.34 1.23 0.00 0.96 0.00 0.00 176.95 178.95 1uww s ALA 33 N -0.27 2.58 0.41 0.98 0.00 -0.04 -4.75 121.76 120.68 1uww s ALA 33 Ca 0.48 1.07 0.13 0.00 0.00 0.00 0.00 51.96 53.64 1uww s ALA 33 Cb -0.28 -3.47 0.97 0.00 0.00 0.00 0.00 23.12 20.34 1uww s ALA 33 CO 0.34 -1.21 1.95 0.78 0.00 0.00 0.00 175.76 177.62 1uww h GLY 34 N 0.98 0.72 -0.14 0.00 0.00 -1.96 -1.46 103.07 101.21 1uww h GLY 34 Ca -0.51 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.62 1uww h GLY 34 CO 0.55 0.11 0.00 1.18 0.00 0.00 0.00 176.54 178.39 1uww n GLU 35 N -4.48 1.35 -1.77 4.80 -0.58 -1.26 -4.93 120.64 113.77 1uww n GLU 35 Ca 0.12 -0.52 -0.41 0.00 -0.42 0.00 0.00 57.16 55.92 1uww n GLU 35 Cb 0.39 -1.31 -0.01 0.00 -0.57 0.00 0.00 31.44 29.94 1uww n GLU 35 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1uww s SER 36 N -1.51 6.33 0.00 1.62 0.15 -0.55 -4.90 113.70 114.84 1uww s SER 36 Ca 0.28 3.03 0.29 0.00 0.70 0.00 0.00 55.95 60.25 1uww s SER 36 Cb 0.14 -2.65 1.33 0.00 -1.71 0.00 0.00 66.02 63.12 1uww s SER 36 CO 0.22 -0.91 1.96 0.61 1.20 0.00 0.00 173.24 176.31 1uww n GLY 37 N 1.22 -1.36 2.97 9.45 0.00 -0.52 -4.71 105.19 112.24 1uww n GLY 37 Ca 0.04 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 1uww n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uww s VAL 38 N -2.79 0.97 -0.08 1.61 1.01 -1.26 -4.82 120.40 115.04 1uww s VAL 38 Ca 0.21 -0.36 0.19 0.00 0.00 0.00 0.00 61.98 62.02 1uww s VAL 38 Cb 0.20 -0.92 0.40 0.00 0.00 0.00 0.00 36.38 36.06 1uww s VAL 38 CO 0.50 0.32 1.18 0.29 0.00 0.00 0.00 175.10 177.40 1uww n LYS 39 N 4.02 0.60 -0.87 2.72 5.02 -1.26 -4.67 118.16 123.71 1uww n LYS 39 Ca -0.22 -2.42 -0.30 0.00 -2.02 0.00 0.00 58.31 53.35 1uww n LYS 39 Cb 0.51 -0.64 0.18 0.00 -0.02 0.00 0.00 35.03 35.06 1uww n LYS 39 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1uww s THR 40 N -1.23 2.31 0.05 -0.18 -4.23 -1.26 -4.90 115.64 106.21 1uww s THR 40 Ca 0.33 0.10 -0.35 0.00 -1.18 0.00 0.00 61.69 60.60 1uww s THR 40 Cb 0.36 -2.34 -0.14 0.00 1.34 0.00 0.00 72.50 71.72 1uww s THR 40 CO -0.12 -0.13 1.64 0.00 -0.54 0.00 0.00 174.62 175.47 1uww n ALA 41 N -4.30 0.81 -2.51 3.99 0.00 -1.26 -4.95 120.51 112.28 1uww n ALA 41 Ca 0.07 0.41 -0.41 0.00 0.00 0.00 0.00 53.44 53.50 1uww n ALA 41 Cb 0.54 -2.35 -0.10 0.00 0.00 0.00 0.00 19.45 17.54 1uww n ALA 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1uww s LEU 42 N 1.92 4.69 0.30 0.00 1.43 -1.26 -4.42 118.68 121.34 1uww s LEU 42 Ca 0.85 -0.56 0.04 0.00 -1.03 0.00 0.00 54.13 53.43 1uww s LEU 42 Cb -0.74 -2.14 -0.06 0.00 0.03 0.00 0.00 46.19 43.27 1uww s LEU 42 CO 0.45 -0.30 0.03 0.42 0.23 0.00 0.00 176.35 177.18 1uww s THR 43 N 1.71 1.20 -0.26 5.49 -4.23 -0.48 -1.37 115.64 117.70 1uww s THR 43 Ca 0.06 -2.02 -0.11 0.00 -1.18 0.00 0.00 61.69 58.43 1uww s THR 43 Cb -0.18 -2.65 -0.05 0.00 1.34 0.00 0.00 72.50 70.96 1uww s THR 43 CO 0.10 -0.11 0.21 -0.63 -0.54 0.00 0.00 174.62 173.65 1uww s ILE 44 N -3.30 5.31 0.07 2.99 -1.09 -1.26 -0.39 121.20 123.54 1uww s ILE 44 Ca 0.34 0.25 0.02 0.00 -2.23 0.00 0.00 60.65 59.03 1uww s ILE 44 Cb 0.07 -3.55 -0.03 0.00 -1.58 0.00 0.00 42.46 37.38 1uww s ILE 44 CO 0.14 0.28 -0.08 -1.61 -1.23 0.00 0.00 174.94 172.44 1uww s GLU 45 N 1.46 0.69 0.10 2.79 0.41 -0.23 -4.89 118.70 119.03 1uww s GLU 45 Ca 0.09 -1.01 -0.30 0.00 -0.41 0.00 0.00 54.97 53.33 1uww s GLU 45 Cb -0.15 -0.34 -0.06 0.00 -1.78 0.00 0.00 34.13 31.80 1uww s GLU 45 CO 0.08 0.04 1.17 -2.00 -0.49 0.00 0.00 175.26 174.06 1uww s GLU 46 N -2.47 4.48 -0.09 1.61 -6.30 -1.26 -0.65 118.70 114.02 1uww s GLU 46 Ca -0.00 1.76 -0.04 0.00 -2.50 0.00 0.00 54.97 54.19 1uww s GLU 46 Cb -0.04 -3.32 0.05 0.00 0.00 0.00 0.00 34.13 30.82 1uww s GLU 46 CO -0.01 -0.15 0.18 0.00 0.02 0.00 0.00 175.26 175.30 1uww s ALA 47 N 0.61 -0.28 -1.61 6.30 0.00 0.28 -4.93 121.76 122.13 1uww s ALA 47 Ca 0.56 0.68 -0.02 0.00 0.00 0.00 0.00 51.96 53.17 1uww s ALA 47 Cb -0.30 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.09 1uww s ALA 47 CO 0.31 -0.44 0.32 -1.71 0.00 0.00 0.00 175.76 174.25 1uww n ASN 48 N 4.95 -5.91 -0.18 0.00 5.15 -1.26 -2.11 115.26 115.89 1uww n ASN 48 Ca -0.12 -0.16 -0.02 0.00 -0.60 0.00 0.00 54.58 53.68 1uww n ASN 48 Cb 0.51 -4.82 -0.01 0.00 -0.53 0.00 0.00 39.78 34.93 1uww n ASN 48 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1uww n GLY 49 N -1.29 0.44 3.25 8.20 0.00 -1.26 -5.04 105.19 109.49 1uww n GLY 49 Ca -0.17 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 1uww n GLY 49 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uww s SER 50 N -2.95 -0.04 0.23 1.61 0.15 -0.90 -5.15 113.70 106.65 1uww s SER 50 Ca 0.00 -0.46 -0.23 0.00 0.70 0.00 0.00 55.95 55.95 1uww s SER 50 Cb 0.00 0.39 -0.09 0.00 -1.71 0.00 0.00 66.02 64.61 1uww s SER 50 CO 0.00 -0.75 0.80 0.20 1.20 0.00 0.00 173.24 174.69 1uww s ASN 51 N -2.70 7.25 0.02 5.45 0.01 -1.26 -0.56 114.94 123.15 1uww s ASN 51 Ca 0.03 1.61 -0.03 0.00 -0.71 0.00 0.00 52.86 53.76 1uww s ASN 51 Cb 0.03 -2.49 -0.02 0.00 0.41 0.00 0.00 41.25 39.18 1uww s ASN 51 CO -0.10 0.07 0.03 0.00 -1.51 0.00 0.00 177.10 175.58 1uww s ALA 52 N -1.42 0.05 0.15 0.60 0.00 0.18 -4.58 121.76 116.74 1uww s ALA 52 Ca 0.42 -0.58 -0.30 0.00 0.00 0.00 0.00 51.96 51.50 1uww s ALA 52 Cb -0.19 0.18 -0.08 0.00 0.00 0.00 0.00 23.12 23.03 1uww s ALA 52 CO 0.24 -0.23 1.29 -1.17 0.00 0.00 0.00 175.76 175.89 1uww s LEU 53 N -1.77 4.40 -0.01 0.00 2.96 -0.25 -1.07 118.68 122.95 1uww s LEU 53 Ca -0.11 2.28 -0.05 0.00 -0.22 0.00 0.00 54.13 56.03 1uww s LEU 53 Cb -0.05 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.04 1uww s LEU 53 CO -0.02 -0.52 0.11 -0.55 -1.32 0.00 0.00 176.35 174.04 1uww s SER 54 N 0.66 0.01 0.19 3.68 0.15 0.48 -0.28 113.70 118.59 1uww s SER 54 Ca 0.59 -0.11 -0.12 0.00 0.70 0.00 0.00 55.95 57.01 1uww s SER 54 Cb -0.35 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.17 1uww s SER 54 CO 0.34 -0.25 0.38 -1.66 1.20 0.00 0.00 173.24 173.24 1uww s TRP 55 N -0.92 0.28 0.07 3.44 -2.14 -1.03 -1.39 118.94 117.25 1uww s TRP 55 Ca -0.10 -0.64 0.06 0.00 2.66 0.00 0.00 56.10 58.08 1uww s TRP 55 Cb -0.06 0.09 -0.03 0.00 -3.10 0.00 0.00 33.47 30.37 1uww s TRP 55 CO 0.01 -0.82 -0.16 -1.83 -2.66 0.00 0.00 176.95 171.49 1uww s GLU 56 N -3.96 0.95 0.04 3.25 -1.05 -1.26 -1.21 118.70 115.46 1uww s GLU 56 Ca 0.17 -0.96 -0.28 0.00 -0.15 0.00 0.00 54.97 53.75 1uww s GLU 56 Cb 0.02 -1.02 0.10 0.00 -0.44 0.00 0.00 34.13 32.78 1uww s GLU 56 CO 0.01 0.24 1.13 -0.59 0.95 0.00 0.00 175.26 177.00 1uww s PHE 57 N -1.12 -0.10 0.01 4.83 -0.71 -0.71 -4.87 117.98 115.32 1uww s PHE 57 Ca 0.01 -0.09 0.00 0.00 -1.04 0.00 0.00 56.93 55.82 1uww s PHE 57 Cb -0.09 0.58 -0.01 0.00 -1.21 0.00 0.00 43.02 42.29 1uww s PHE 57 CO 0.02 -0.51 -0.02 0.20 -1.34 0.00 0.00 175.22 173.57 1uww s GLY 58 N -2.90 0.16 0.55 1.99 0.00 -1.26 -1.35 107.32 104.51 1uww s GLY 58 Ca 0.13 -0.31 -0.19 0.00 0.00 0.00 0.00 44.72 44.35 1uww s GLY 58 CO -0.02 -0.34 1.12 -0.19 0.00 0.00 0.00 173.10 173.68 1uww s TYR 59 N -0.68 2.69 0.59 1.90 2.02 -0.81 -4.99 117.35 118.08 1uww s TYR 59 Ca -0.07 1.55 -0.16 0.00 -0.37 0.00 0.00 57.07 58.02 1uww s TYR 59 Cb -0.05 -3.26 -0.04 0.00 -0.40 0.00 0.00 41.96 38.22 1uww s TYR 59 CO -0.00 -1.53 1.05 -1.25 -1.57 0.00 0.00 175.55 172.25 1uww s PRO 60 N -3.38 3.36 0.16 -1.71 0.04 -1.26 -4.85 135.00 127.37 1uww s PRO 60 Ca 0.72 1.17 -0.05 0.00 0.04 0.00 0.00 61.00 62.87 1uww s PRO 60 Cb -0.23 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.30 1uww s PRO 60 CO 0.28 -0.77 1.44 0.93 0.04 0.00 0.00 177.00 178.92 1uww h GLU 61 N 0.42 0.59 -6.25 4.56 5.08 -1.95 -3.41 114.58 113.62 1uww h GLU 61 Ca -0.47 -0.42 -0.58 0.00 -1.00 0.00 0.00 59.36 56.90 1uww h GLU 61 Cb 1.22 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.47 1uww h GLU 61 CO 0.58 1.04 0.82 0.08 -1.00 0.00 0.00 179.01 180.53 1uww s VAL 62 N -3.87 4.55 -0.35 3.13 1.01 -1.26 -5.01 120.40 118.60 1uww s VAL 62 Ca -0.08 1.77 -0.17 0.00 0.00 0.00 0.00 61.98 63.51 1uww s VAL 62 Cb 0.10 -4.39 -0.00 0.00 0.00 0.00 0.00 36.38 32.09 1uww s VAL 62 CO 0.86 -0.42 0.46 -0.54 0.00 0.00 0.00 175.10 175.46 1uww s LYS 63 N 3.55 3.55 0.60 2.72 -0.14 -1.26 -5.07 119.74 123.69 1uww s LYS 63 Ca 0.45 -0.30 -0.19 0.00 -1.36 0.00 0.00 55.97 54.57 1uww s LYS 63 Cb -0.13 -3.82 -0.04 0.00 -1.68 0.00 0.00 37.83 32.17 1uww s LYS 63 CO 0.14 -0.63 1.19 -2.30 -0.76 0.00 0.00 175.35 172.99 1uww n PRO 64 N 5.62 1.19 0.18 -1.68 -0.02 -1.26 -4.92 135.00 134.10 1uww n PRO 64 Ca -0.06 0.45 0.02 0.00 -2.02 0.00 0.00 63.50 61.89 1uww n PRO 64 Cb 0.49 -2.40 0.32 0.00 -0.02 0.00 0.00 33.50 31.89 1uww n PRO 64 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1uww h SER 65 N 0.76 0.00 -2.30 2.55 4.64 -2.05 -3.36 113.55 113.79 1uww h SER 65 Ca -0.50 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.29 1uww h SER 65 Cb 1.34 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.39 1uww h SER 65 CO 0.53 0.42 1.29 -0.62 -0.87 0.00 0.00 176.83 177.59 1uww s ASP 66 N -6.85 5.57 0.00 4.97 2.15 -1.26 -4.87 116.67 116.38 1uww s ASP 66 Ca -0.02 0.60 0.09 0.00 0.43 0.00 0.00 52.55 53.64 1uww s ASP 66 Cb 0.14 -2.53 0.38 0.00 -0.30 0.00 0.00 42.92 40.61 1uww s ASP 66 CO 0.73 -2.09 1.26 0.59 -0.17 0.00 0.00 175.17 175.49 1uww n ASN 67 N 11.60 0.00 -0.48 -0.34 3.02 -1.26 -1.96 115.26 125.84 1uww n ASN 67 Ca 0.20 0.46 0.08 0.00 -0.03 0.00 0.00 54.58 55.28 1uww n ASN 67 Cb 0.50 -0.47 0.03 0.00 -0.61 0.00 0.00 39.78 39.23 1uww n ASN 67 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1uww n TRP 68 N -1.47 0.00 -0.33 3.10 7.02 -1.26 -4.36 117.44 120.14 1uww n TRP 68 Ca 0.02 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.53 1uww n TRP 68 Cb 0.10 0.00 0.21 0.00 -2.42 0.00 0.00 31.31 29.19 1uww n TRP 68 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1uww h ALA 69 N 2.89 1.45 -0.16 6.99 0.00 -1.77 -2.54 119.26 126.13 1uww h ALA 69 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1uww h ALA 69 Cb 0.59 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1uww h ALA 69 CO 0.00 0.43 0.00 0.25 0.00 0.00 0.00 179.25 179.93 1uww n THR 70 N -4.47 0.19 -2.71 0.00 -2.24 -1.26 -3.90 114.28 99.89 1uww n THR 70 Ca 0.14 -0.43 -0.42 0.00 -2.27 0.00 0.00 64.05 61.07 1uww n THR 70 Cb 0.16 0.70 -0.03 0.00 -2.10 0.00 0.00 70.33 69.05 1uww n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uww s ALA 71 N -1.81 3.24 0.28 6.98 0.00 -0.96 -4.55 121.76 124.94 1uww s ALA 71 Ca 0.34 0.48 -0.29 0.00 0.00 0.00 0.00 51.96 52.49 1uww s ALA 71 Cb 0.20 -3.36 -0.13 0.00 0.00 0.00 0.00 23.12 19.82 1uww s ALA 71 CO 0.30 -0.35 1.22 -2.30 0.00 0.00 0.00 175.76 174.63 1uww n PRO 72 N 4.25 1.77 -3.66 0.00 -0.02 -1.24 -1.43 135.00 134.67 1uww n PRO 72 Ca 0.07 0.62 -0.29 0.00 -2.02 0.00 0.00 63.50 61.88 1uww n PRO 72 Cb 0.50 -2.15 -0.16 0.00 -0.02 0.00 0.00 33.50 31.68 1uww n PRO 72 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1uww s ARG 73 N -1.26 0.47 0.48 -0.52 0.52 -1.26 -1.08 118.95 116.31 1uww s ARG 73 Ca 0.61 -0.63 -0.18 0.00 -0.52 0.00 0.00 55.73 55.02 1uww s ARG 73 Cb -0.66 -1.76 -0.09 0.00 0.52 0.00 0.00 34.95 32.97 1uww s ARG 73 CO 0.57 -0.87 0.97 -0.51 0.02 0.00 0.00 175.30 175.48 1uww s LEU 74 N 1.88 3.73 -0.02 2.53 1.43 -0.25 -0.86 118.68 127.12 1uww s LEU 74 Ca 0.06 1.59 -0.02 0.00 -1.03 0.00 0.00 54.13 54.73 1uww s LEU 74 Cb -0.17 -4.50 0.01 0.00 0.03 0.00 0.00 46.19 41.56 1uww s LEU 74 CO -0.22 -0.51 0.05 -0.62 0.23 0.00 0.00 176.35 175.27 1uww s ASP 75 N -2.80 -0.05 -0.20 2.29 2.15 0.33 -1.64 116.67 116.75 1uww s ASP 75 Ca 0.60 0.10 -0.04 0.00 0.43 0.00 0.00 52.55 53.63 1uww s ASP 75 Cb -0.10 0.09 0.07 0.00 -0.30 0.00 0.00 42.92 42.68 1uww s ASP 75 CO 0.26 -0.02 0.09 0.12 -0.17 0.00 0.00 175.17 175.45 1uww s PHE 76 N 0.07 0.36 -0.20 -5.34 5.36 -1.26 -1.73 117.98 115.25 1uww s PHE 76 Ca -0.00 -0.51 -0.12 0.00 -0.96 0.00 0.00 56.93 55.34 1uww s PHE 76 Cb -0.01 -0.79 -0.05 0.00 -0.34 0.00 0.00 43.02 41.83 1uww s PHE 76 CO -0.00 -0.59 0.21 -1.58 -1.46 0.00 0.00 175.22 171.81 1uww s TRP 77 N 2.08 3.40 -0.19 10.12 0.52 -1.26 -4.29 118.94 129.32 1uww s TRP 77 Ca 0.03 0.42 -0.14 0.00 0.02 0.00 0.00 56.10 56.43 1uww s TRP 77 Cb -0.16 -2.27 0.06 0.00 -1.15 0.00 0.00 33.47 29.94 1uww s TRP 77 CO -0.14 0.20 0.49 0.21 0.02 0.00 0.00 176.95 177.73 1uww s LYS 78 N 0.62 0.53 0.71 4.98 2.20 -0.93 -4.78 119.74 123.07 1uww s LYS 78 Ca 0.12 0.78 -0.15 0.00 -0.36 0.00 0.00 55.97 56.36 1uww s LYS 78 Cb -0.12 0.16 0.03 0.00 -1.51 0.00 0.00 37.83 36.39 1uww s LYS 78 CO 0.02 -0.11 1.20 -1.54 -0.36 0.00 0.00 175.35 174.56 1uww s SER 79 N 0.81 4.38 -1.40 1.43 1.04 -1.26 -3.42 113.70 115.28 1uww s SER 79 Ca -0.04 2.32 -0.07 0.00 0.48 0.00 0.00 55.95 58.64 1uww s SER 79 Cb -0.05 -2.59 0.04 0.00 0.10 0.00 0.00 66.02 63.52 1uww s SER 79 CO -0.06 -2.13 0.53 0.47 0.98 0.00 0.00 173.24 173.02 1uww n ASP 80 N -2.58 -4.79 -4.59 7.02 8.00 -1.26 -4.92 116.55 113.43 1uww n ASP 80 Ca 0.13 -0.33 -0.43 0.00 0.71 0.00 0.00 54.79 54.88 1uww n ASP 80 Cb 0.50 -3.91 -0.03 0.00 -0.02 0.00 0.00 41.12 37.66 1uww n ASP 80 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1uww s LEU 81 N -6.55 3.86 0.04 0.64 2.96 -1.22 -5.01 118.68 113.40 1uww s LEU 81 Ca 0.35 0.42 -0.02 0.00 -0.22 0.00 0.00 54.13 54.66 1uww s LEU 81 Cb -0.17 -3.36 -0.03 0.00 0.50 0.00 0.00 46.19 43.13 1uww s LEU 81 CO 0.43 -1.07 0.00 0.68 -1.32 0.00 0.00 176.35 175.07 1uww s VAL 82 N 3.94 0.16 0.14 1.68 -7.23 -1.26 -0.90 120.40 116.93 1uww s VAL 82 Ca 0.42 -1.36 -0.11 0.00 -1.81 0.00 0.00 61.98 59.12 1uww s VAL 82 Cb -0.10 -0.98 -0.05 0.00 0.56 0.00 0.00 36.38 35.81 1uww s VAL 82 CO 0.26 -0.75 1.46 -0.09 -0.31 0.00 0.00 175.10 175.67 1uww h ARG 83 N 3.73 0.92 0.00 4.82 2.43 -1.80 -3.49 114.38 120.99 1uww h ARG 83 Ca -0.33 -0.51 0.00 0.00 -0.81 0.00 0.00 59.98 58.33 1uww h ARG 83 Cb 1.17 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1uww h ARG 83 CO 0.54 1.16 0.00 0.41 -1.51 0.00 0.00 179.97 180.57 1uww n GLY 84 N 0.19 2.22 0.43 2.80 0.00 -0.40 -2.09 105.19 108.34 1uww n GLY 84 Ca -0.03 -0.46 0.08 0.00 0.00 0.00 0.00 46.02 45.62 1uww n GLY 84 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1uww n GLU 85 N 8.42 1.56 -2.14 1.61 1.02 -1.26 -4.65 120.64 125.20 1uww n GLU 85 Ca 0.00 -0.84 -0.33 0.00 -0.02 0.00 0.00 57.16 55.96 1uww n GLU 85 Cb 0.00 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 1uww n GLU 85 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1uww s ASN 86 N -1.38 5.83 -0.01 1.62 0.01 -0.89 -4.79 114.94 115.34 1uww s ASN 86 Ca 0.26 1.89 0.09 0.00 -0.71 0.00 0.00 52.86 54.38 1uww s ASN 86 Cb 0.14 -2.54 -0.13 0.00 0.41 0.00 0.00 41.25 39.12 1uww s ASN 86 CO 0.20 -1.13 0.20 0.47 -1.51 0.00 0.00 177.10 175.33 1uww n ASP 87 N -1.79 2.86 -4.05 -1.22 8.00 -0.23 -4.49 116.55 115.63 1uww n ASP 87 Ca 0.09 -0.05 -0.10 0.00 0.71 0.00 0.00 54.79 55.44 1uww n ASP 87 Cb 0.53 1.36 -0.11 0.00 -0.02 0.00 0.00 41.12 42.88 1uww n ASP 87 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1uww s TYR 88 N -2.53 0.53 -0.20 1.24 2.02 -0.69 -0.58 117.35 117.13 1uww s TYR 88 Ca -0.03 -0.65 -0.08 0.00 -0.37 0.00 0.00 57.07 55.94 1uww s TYR 88 Cb 0.05 -0.34 -0.04 0.00 -0.40 0.00 0.00 41.96 41.24 1uww s TYR 88 CO 0.35 -0.17 0.09 0.08 -1.57 0.00 0.00 175.55 174.33 1uww s VAL 89 N -2.07 4.92 0.12 0.71 1.01 -0.21 -0.84 120.40 124.05 1uww s VAL 89 Ca -0.07 0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.02 1uww s VAL 89 Cb -0.05 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1uww s VAL 89 CO -0.02 0.43 -0.24 0.42 0.00 0.00 0.00 175.10 175.69 1uww s THR 90 N 0.60 1.97 0.07 3.92 -4.23 -0.15 -0.66 115.64 117.16 1uww s THR 90 Ca 0.05 -1.66 -0.20 0.00 -1.18 0.00 0.00 61.69 58.70 1uww s THR 90 Cb -0.13 -1.77 0.05 0.00 1.34 0.00 0.00 72.50 71.99 1uww s THR 90 CO 0.01 -0.01 0.47 0.72 -0.54 0.00 0.00 174.62 175.27 1uww s PHE 91 N -1.16 -0.34 -0.07 3.99 -0.71 -0.75 -1.52 117.98 117.43 1uww s PHE 91 Ca 0.10 0.26 -0.26 0.00 -1.04 0.00 0.00 56.93 55.99 1uww s PHE 91 Cb -0.10 0.31 -0.03 0.00 -1.21 0.00 0.00 43.02 41.99 1uww s PHE 91 CO 0.05 -0.65 0.85 -0.51 -1.34 0.00 0.00 175.22 173.62 1uww s ASP 92 N -2.22 7.13 -0.10 1.98 1.01 0.10 -1.08 116.67 123.48 1uww s ASP 92 Ca -0.03 1.37 0.03 0.00 0.71 0.00 0.00 52.55 54.63 1uww s ASP 92 Cb -0.00 -2.49 0.01 0.00 1.01 0.00 0.00 42.92 41.45 1uww s ASP 92 CO -0.05 -0.26 -0.19 0.12 0.21 0.00 0.00 175.17 175.00 1uww s PHE 93 N 1.29 2.22 0.04 4.23 5.36 -0.33 -1.06 117.98 129.71 1uww s PHE 93 Ca 0.43 -0.96 0.07 0.00 -0.96 0.00 0.00 56.93 55.52 1uww s PHE 93 Cb -0.19 -1.53 -0.02 0.00 -0.34 0.00 0.00 43.02 40.94 1uww s PHE 93 CO 0.20 -0.43 -0.20 0.71 -1.46 0.00 0.00 175.22 174.04 1uww s TYR 94 N 0.61 1.74 -0.05 10.12 1.51 0.12 -0.57 117.35 130.84 1uww s TYR 94 Ca -0.14 -0.37 0.05 0.00 -1.01 0.00 0.00 57.07 55.60 1uww s TYR 94 Cb -0.17 -1.05 -0.00 0.00 -0.11 0.00 0.00 41.96 40.63 1uww s TYR 94 CO 0.04 0.07 -0.20 -0.51 -1.11 0.00 0.00 175.55 173.84 1uww s LEU 95 N -1.10 1.97 -0.55 -1.29 1.02 -0.57 -1.15 118.68 117.01 1uww s LEU 95 Ca 0.07 -0.42 0.04 0.00 0.02 0.00 0.00 54.13 53.84 1uww s LEU 95 Cb -0.09 -1.13 0.14 0.00 0.02 0.00 0.00 46.19 45.14 1uww s LEU 95 CO 0.01 0.18 0.31 -0.62 0.02 0.00 0.00 176.35 176.25 1uww s ASP 96 N 0.02 4.35 0.53 2.29 -1.08 0.21 -1.06 116.67 121.93 1uww s ASP 96 Ca -0.05 -3.17 -0.20 0.00 -0.52 0.00 0.00 52.55 48.61 1uww s ASP 96 Cb -0.13 -1.59 -0.06 0.00 -1.46 0.00 0.00 42.92 39.68 1uww s ASP 96 CO 0.03 -0.20 1.12 -2.16 0.52 0.00 0.00 175.17 174.48 1uww s PRO 97 N -0.50 3.46 -0.16 4.34 0.04 -1.26 -1.94 135.00 138.98 1uww s PRO 97 Ca 0.19 1.58 0.09 0.00 0.04 0.00 0.00 61.00 62.90 1uww s PRO 97 Cb -0.21 -2.05 -0.23 0.00 0.04 0.00 0.00 34.50 32.05 1uww s PRO 97 CO -0.04 -0.76 0.21 1.55 0.04 0.00 0.00 177.00 178.01 1uww n VAL 98 N -1.19 1.53 -4.32 -0.36 3.14 0.41 -4.93 118.33 112.62 1uww n VAL 98 Ca 0.11 -0.75 -0.21 0.00 -2.96 0.00 0.00 64.34 60.53 1uww n VAL 98 Cb 0.51 -1.03 -0.16 0.00 -1.06 0.00 0.00 33.84 32.10 1uww n VAL 98 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 1uww s ARG 99 N -2.54 1.05 -0.34 1.45 3.52 -0.75 -4.99 118.95 116.35 1uww s ARG 99 Ca -0.16 -0.22 0.02 0.00 -0.13 0.00 0.00 55.73 55.23 1uww s ARG 99 Cb 0.07 -0.97 0.19 0.00 -1.56 0.00 0.00 34.95 32.68 1uww s ARG 99 CO 0.77 -0.01 0.75 0.00 -0.81 0.00 0.00 175.30 176.00 1uww s ALA 100 N 0.67 -2.98 0.00 6.12 0.00 -1.26 -1.19 121.76 123.11 1uww s ALA 100 Ca -0.10 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.67 1uww s ALA 100 Cb -0.13 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.24 1uww s ALA 100 CO 0.01 -2.14 0.00 0.25 0.00 0.00 0.00 175.76 173.88 1uww n THR 101 N 4.68 0.00 -3.69 0.00 -2.24 -1.26 -4.96 114.28 106.81 1uww n THR 101 Ca 0.08 -0.45 -0.07 0.00 -2.27 0.00 0.00 64.05 61.34 1uww n THR 101 Cb 0.57 0.97 -0.02 0.00 -2.10 0.00 0.00 70.33 69.75 1uww n THR 101 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1uww s GLU 102 N -1.03 1.40 2.57 -0.78 -1.05 -1.26 -4.75 118.70 113.80 1uww s GLU 102 Ca 0.00 -0.70 0.00 0.00 -0.15 0.00 0.00 54.97 54.12 1uww s GLU 102 Cb 0.00 0.53 0.00 0.00 -0.44 0.00 0.00 34.13 34.22 1uww s GLU 102 CO 0.00 -0.63 0.00 0.41 0.95 0.00 0.00 175.26 175.99 1uww n GLY 103 N -0.42 -0.49 0.00 -3.83 0.00 -1.24 -3.41 105.19 95.80 1uww n GLY 103 Ca -0.08 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1uww n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uww n ALA 104 N 2.68 0.00 -3.64 4.61 0.00 -0.51 -0.87 120.51 122.78 1uww n ALA 104 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1uww n ALA 104 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1uww n ALA 104 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1uww s ASN 106 N 1.79 -1.11 -0.25 0.00 0.02 0.16 -0.88 114.94 114.69 1uww s ASN 106 Ca 0.00 1.55 -0.10 0.00 -1.02 0.00 0.00 52.86 53.30 1uww s ASN 106 Cb 0.00 2.15 -0.05 0.00 0.02 0.00 0.00 41.25 43.37 1uww s ASN 106 CO 0.00 -0.22 0.14 -0.63 0.02 0.00 0.00 177.10 176.41 1uww s ILE 107 N 2.68 5.09 0.16 0.60 1.01 0.64 -0.28 121.20 131.10 1uww s ILE 107 Ca -0.07 0.09 0.10 0.00 0.00 0.00 0.00 60.65 60.78 1uww s ILE 107 Cb -0.11 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 1uww s ILE 107 CO -0.19 0.33 -0.23 0.20 0.00 0.00 0.00 174.94 175.05 1uww s ASN 108 N 1.26 3.12 -0.10 3.58 -0.87 -0.38 -1.82 114.94 119.73 1uww s ASN 108 Ca 0.07 -0.80 0.03 0.00 -1.57 0.00 0.00 52.86 50.58 1uww s ASN 108 Cb -0.14 -0.21 0.01 0.00 -0.02 0.00 0.00 41.25 40.89 1uww s ASN 108 CO 0.06 0.10 -0.18 -0.22 -2.57 0.00 0.00 177.10 174.28 1uww s LEU 109 N -2.38 1.89 -0.01 0.60 2.96 -1.26 -1.12 118.68 119.36 1uww s LEU 109 Ca 0.16 -0.47 0.04 0.00 -0.22 0.00 0.00 54.13 53.64 1uww s LEU 109 Cb -0.08 -1.19 -0.01 0.00 0.50 0.00 0.00 46.19 45.41 1uww s LEU 109 CO 0.07 0.08 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.37 1uww s VAL 110 N 0.67 0.96 0.29 1.68 1.01 -1.26 -1.30 120.40 122.45 1uww s VAL 110 Ca -0.13 -0.53 0.11 0.00 0.00 0.00 0.00 61.98 61.43 1uww s VAL 110 Cb -0.16 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 1uww s VAL 110 CO 0.03 0.26 -0.11 -0.36 0.00 0.00 0.00 175.10 174.93 1uww s PHE 111 N -0.30 2.43 -0.53 5.22 0.08 -0.32 -4.75 117.98 119.81 1uww s PHE 111 Ca 0.05 -0.34 0.07 0.00 0.12 0.00 0.00 56.93 56.82 1uww s PHE 111 Cb -0.05 -1.16 0.30 0.00 -0.57 0.00 0.00 43.02 41.54 1uww s PHE 111 CO -0.00 0.64 0.79 1.04 -0.10 0.00 0.00 175.22 177.59 1uww n GLN 112 N -0.75 2.26 -1.91 0.44 6.02 -1.02 -1.14 117.38 121.28 1uww n GLN 112 Ca -0.05 -4.30 -0.42 0.00 -0.01 0.00 0.00 57.00 52.21 1uww n GLN 112 Cb 0.61 -2.00 -0.03 0.00 1.02 0.00 0.00 30.24 29.84 1uww n GLN 112 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1uww s PRO 113 N -2.69 4.18 0.59 -1.09 0.04 -1.14 -4.56 135.00 130.35 1uww s PRO 113 Ca 0.43 2.33 0.29 0.00 0.04 0.00 0.00 61.00 64.09 1uww s PRO 113 Cb 0.24 -3.81 1.64 0.00 0.04 0.00 0.00 34.50 32.62 1uww s PRO 113 CO -0.09 -0.80 2.07 -1.35 0.04 0.00 0.00 177.00 176.87 1uww h PRO 114 N 9.05 0.00 0.00 0.56 0.11 -1.87 -0.88 132.00 138.97 1uww h PRO 114 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1uww h PRO 114 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1uww h PRO 114 CO 0.94 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.98 1uww n THR 115 N -3.76 0.38 -2.74 -1.15 -2.24 -1.26 -3.87 114.28 99.63 1uww n THR 115 Ca 0.02 -0.08 -0.24 0.00 -2.27 0.00 0.00 64.05 61.48 1uww n THR 115 Cb 0.37 -0.62 -0.01 0.00 -2.10 0.00 0.00 70.33 67.97 1uww n THR 115 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1uww n ASN 116 N -1.87 3.81 -0.75 3.42 5.15 -0.42 -4.96 115.26 119.64 1uww n ASN 116 Ca 0.06 -3.51 -0.10 0.00 -0.60 0.00 0.00 54.58 50.43 1uww n ASN 116 Cb 0.36 -0.52 -0.04 0.00 -0.53 0.00 0.00 39.78 39.04 1uww n ASN 116 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1uww n GLY 117 N -0.27 1.08 2.41 8.20 0.00 -1.23 -2.68 105.19 112.70 1uww n GLY 117 Ca 0.31 -0.28 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1uww n GLY 117 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1uww n TYR 118 N -2.53 -0.97 -3.17 1.61 4.02 -0.67 -4.95 117.16 110.50 1uww n TYR 118 Ca -0.10 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.84 1uww n TYR 118 Cb 0.41 -3.93 -0.01 0.00 -0.02 0.00 0.00 39.34 35.79 1uww n TYR 118 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 1uww s TRP 119 N -3.02 -1.21 0.07 -0.72 -0.11 -1.09 -4.44 118.94 108.42 1uww s TRP 119 Ca 0.00 1.32 0.04 0.00 1.22 0.00 0.00 56.10 58.69 1uww s TRP 119 Cb 0.00 0.44 -0.03 0.00 -1.50 0.00 0.00 33.47 32.38 1uww s TRP 119 CO 0.00 -0.66 -0.12 0.14 -4.62 0.00 0.00 176.95 171.69 1uww s VAL 120 N 2.88 0.99 -0.01 5.86 -7.23 -0.29 -4.94 120.40 117.65 1uww s VAL 120 Ca 0.12 -1.36 0.02 0.00 -1.81 0.00 0.00 61.98 58.96 1uww s VAL 120 Cb -0.13 -1.07 0.00 0.00 0.56 0.00 0.00 36.38 35.74 1uww s VAL 120 CO -0.17 -0.33 -0.07 -1.58 -0.31 0.00 0.00 175.10 172.64 1uww s GLN 121 N -1.97 0.65 0.17 4.82 0.74 -1.26 -1.17 119.66 121.63 1uww s GLN 121 Ca -0.01 -0.23 -0.32 0.00 0.05 0.00 0.00 55.36 54.85 1uww s GLN 121 Cb -0.08 -0.63 -0.10 0.00 1.10 0.00 0.00 33.01 33.29 1uww s GLN 121 CO 0.02 0.11 1.61 0.00 -0.55 0.00 0.00 175.29 176.48 1uww s ALA 122 N 0.05 3.81 0.42 1.58 0.00 -0.42 -4.88 121.76 122.32 1uww s ALA 122 Ca -0.00 1.42 0.12 0.00 0.00 0.00 0.00 51.96 53.49 1uww s ALA 122 Cb -0.05 -3.65 0.91 0.00 0.00 0.00 0.00 23.12 20.33 1uww s ALA 122 CO -0.00 -0.83 1.97 -1.00 0.00 0.00 0.00 175.76 175.89 1uww h PRO 123 N 6.89 0.14 -4.98 0.00 0.13 -1.88 -3.43 132.00 128.88 1uww h PRO 123 Ca -0.43 -0.03 -0.63 0.00 -0.87 0.00 0.00 66.00 64.04 1uww h PRO 123 Cb 1.20 -0.02 -0.16 0.00 0.13 0.00 0.00 31.00 32.15 1uww h PRO 123 CO 0.93 0.27 -0.47 0.15 -0.23 0.00 0.00 178.00 178.65 1uww s LYS 124 N -4.76 3.99 0.29 0.86 1.02 -1.26 -5.07 119.74 114.81 1uww s LYS 124 Ca -0.05 -0.24 -0.29 0.00 0.02 0.00 0.00 55.97 55.41 1uww s LYS 124 Cb 0.16 -3.64 -0.10 0.00 -0.52 0.00 0.00 37.83 33.73 1uww s LYS 124 CO 0.71 -0.15 1.16 0.99 -0.92 0.00 0.00 175.35 177.14 1uww s THR 125 N 1.68 3.27 -0.27 2.17 2.01 -1.26 -4.84 115.64 118.40 1uww s THR 125 Ca 0.09 1.27 -0.13 0.00 0.31 0.00 0.00 61.69 63.23 1uww s THR 125 Cb -0.16 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 1uww s THR 125 CO 0.10 0.30 0.28 -0.47 -0.69 0.00 0.00 174.62 174.14 1uww s TYR 126 N -1.13 3.25 -0.11 4.92 6.14 -0.76 -4.95 117.35 124.71 1uww s TYR 126 Ca 0.46 0.28 0.02 0.00 0.64 0.00 0.00 57.07 58.47 1uww s TYR 126 Cb -0.34 -2.47 -0.01 0.00 0.42 0.00 0.00 41.96 39.56 1uww s TYR 126 CO 0.44 -0.17 -0.19 0.99 0.64 0.00 0.00 175.55 177.27 1uww s THR 127 N 1.83 2.55 -0.20 4.34 2.01 -1.26 -0.26 115.64 124.65 1uww s THR 127 Ca 0.11 -0.85 -0.06 0.00 0.31 0.00 0.00 61.69 61.21 1uww s THR 127 Cb -0.16 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 1uww s THR 127 CO 0.10 0.55 0.02 -0.63 -0.69 0.00 0.00 174.62 173.96 1uww s ILE 128 N 0.23 4.12 -0.36 1.82 1.01 -1.26 -5.03 121.20 121.74 1uww s ILE 128 Ca -0.12 -0.25 -0.12 0.00 0.00 0.00 0.00 60.65 60.15 1uww s ILE 128 Cb -0.16 -2.87 0.01 0.00 0.01 0.00 0.00 42.46 39.44 1uww s ILE 128 CO 0.07 0.42 0.22 0.21 0.00 0.00 0.00 174.94 175.86 1uww s ASN 129 N 0.97 5.85 0.25 3.58 3.84 -1.26 -4.35 114.94 123.81 1uww s ASN 129 Ca 0.02 -0.74 0.23 0.00 0.21 0.00 0.00 52.86 52.58 1uww s ASN 129 Cb -0.14 -2.07 0.97 0.00 -0.55 0.00 0.00 41.25 39.45 1uww s ASN 129 CO 0.02 -0.32 1.69 0.49 -2.79 0.00 0.00 177.10 176.19 1uww n PHE 130 N 5.05 0.76 1.13 0.43 3.72 -0.05 -1.27 117.46 127.24 1uww n PHE 130 Ca -0.12 0.31 0.14 0.00 -0.05 0.00 0.00 57.45 57.72 1uww n PHE 130 Cb 0.48 -0.99 0.66 0.00 -0.94 0.00 0.00 39.48 38.68 1uww n PHE 130 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1uww n ASP 131 N -2.20 0.00 -0.91 4.37 8.00 -1.25 -3.44 116.55 121.11 1uww n ASP 131 Ca 0.02 0.28 0.08 0.00 0.71 0.00 0.00 54.79 55.88 1uww n ASP 131 Cb 0.21 -0.42 0.26 0.00 -0.02 0.00 0.00 41.12 41.15 1uww n ASP 131 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1uww n GLU 132 N -1.42 2.99 0.13 -1.24 -0.58 -0.40 -4.72 120.64 115.40 1uww n GLU 132 Ca 0.09 -2.82 0.09 0.00 -0.42 0.00 0.00 57.16 54.11 1uww n GLU 132 Cb 0.30 -1.83 0.58 0.00 -0.57 0.00 0.00 31.44 29.92 1uww n GLU 132 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1uww h LEU 133 N 1.89 0.15 -1.79 -4.62 3.38 -1.65 -2.14 115.31 110.54 1uww h LEU 133 Ca 0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1uww h LEU 133 Cb 1.43 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 1uww h LEU 133 CO 0.22 0.10 -0.08 1.05 0.09 0.00 0.00 178.44 179.83 1uww h GLU 134 N 0.17 0.00 -0.00 1.13 9.09 -1.89 -2.39 114.58 120.69 1uww h GLU 134 Ca 0.09 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.50 1uww h GLU 134 Cb 0.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.26 1uww h GLU 134 CO -0.02 0.08 -0.70 0.39 0.05 0.00 0.00 179.01 178.81 1uww n GLU 135 N -3.31 0.11 -2.30 1.06 4.71 -0.81 -4.98 120.64 115.11 1uww n GLU 135 Ca -0.01 -0.08 -0.32 0.00 -0.01 0.00 0.00 57.16 56.75 1uww n GLU 135 Cb 0.27 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.18 1uww n GLU 135 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1uww s ALA 136 N -2.95 3.03 0.08 0.62 0.00 -0.90 -5.01 121.76 116.64 1uww s ALA 136 Ca 0.11 0.18 -0.31 0.00 0.00 0.00 0.00 51.96 51.94 1uww s ALA 136 Cb 0.17 -3.13 -0.08 0.00 0.00 0.00 0.00 23.12 20.08 1uww s ALA 136 CO 0.76 -0.35 1.52 -0.80 0.00 0.00 0.00 175.76 176.89 1uww s ASN 137 N -3.15 6.70 0.03 0.00 0.01 -1.26 -4.96 114.94 112.31 1uww s ASN 137 Ca 0.59 2.40 -0.18 0.00 -0.71 0.00 0.00 52.86 54.96 1uww s ASN 137 Cb -0.11 -2.57 0.03 0.00 0.41 0.00 0.00 41.25 39.01 1uww s ASN 137 CO 0.34 -0.79 0.39 0.00 -1.51 0.00 0.00 177.10 175.54 1uww s GLN 138 N 1.93 0.87 -0.06 -0.60 -2.07 -1.26 -0.95 119.66 117.52 1uww s GLN 138 Ca 0.69 -0.31 -0.01 0.00 -1.82 0.00 0.00 55.36 53.90 1uww s GLN 138 Cb -0.38 0.39 0.03 0.00 -1.09 0.00 0.00 33.01 31.95 1uww s GLN 138 CO 0.30 -0.28 0.02 0.08 -1.32 0.00 0.00 175.29 174.09 1uww s VAL 139 N -2.20 0.24 -1.48 3.63 1.01 -0.62 -4.92 120.40 116.07 1uww s VAL 139 Ca -0.07 0.20 -0.04 0.00 0.00 0.00 0.00 61.98 62.07 1uww s VAL 139 Cb -0.02 -0.42 0.03 0.00 0.00 0.00 0.00 36.38 35.97 1uww s VAL 139 CO -0.01 0.23 0.44 0.59 0.00 0.00 0.00 175.10 176.36 1uww n ASN 140 N 5.12 -0.75 0.00 3.32 5.03 -1.26 -1.63 115.26 125.10 1uww n ASN 140 Ca -0.07 -1.04 0.00 0.00 0.87 0.00 0.00 54.58 54.34 1uww n ASN 140 Cb 0.50 -2.85 0.00 0.00 -1.02 0.00 0.00 39.78 36.41 1uww n ASN 140 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1uww n GLY 141 N -1.94 0.84 3.47 7.41 0.00 -1.26 -5.02 105.19 108.68 1uww n GLY 141 Ca -0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 1uww n GLY 141 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1uww s LEU 142 N 0.00 4.09 -0.13 0.99 2.96 -0.64 -4.40 118.68 121.54 1uww s LEU 142 Ca 0.00 -0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 53.37 1uww s LEU 142 Cb 0.00 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.61 1uww s LEU 142 CO 0.00 -0.17 0.27 -0.31 -1.32 0.00 0.00 176.35 174.82 1uww s TYR 143 N 1.65 3.53 -0.19 5.38 1.51 -0.22 -1.59 117.35 127.41 1uww s TYR 143 Ca 0.05 0.63 -0.01 0.00 -1.01 0.00 0.00 57.07 56.73 1uww s TYR 143 Cb -0.17 -2.24 0.01 0.00 -0.11 0.00 0.00 41.96 39.44 1uww s TYR 143 CO 0.07 0.40 -0.13 -1.58 -1.11 0.00 0.00 175.55 173.20 1uww s HIS 144 N -0.07 2.85 -0.08 2.71 2.46 -0.12 -1.51 115.29 121.53 1uww s HIS 144 Ca 0.17 -1.31 0.03 0.00 0.47 0.00 0.00 55.06 54.42 1uww s HIS 144 Cb -0.13 -1.99 -0.02 0.00 -0.13 0.00 0.00 32.58 30.31 1uww s HIS 144 CO 0.05 -0.67 -0.15 0.71 -2.47 0.00 0.00 174.74 172.21 1uww s TYR 145 N 1.30 2.70 -0.92 3.88 1.51 0.27 -4.33 117.35 121.77 1uww s TYR 145 Ca 0.04 -0.41 -0.17 0.00 -1.01 0.00 0.00 57.07 55.52 1uww s TYR 145 Cb -0.14 -1.70 0.16 0.00 -0.11 0.00 0.00 41.96 40.17 1uww s TYR 145 CO -0.08 -0.01 1.04 -1.21 -1.11 0.00 0.00 175.55 174.18 1uww s GLU 146 N -0.27 3.63 -0.04 -0.62 0.41 -1.26 -1.19 118.70 119.37 1uww s GLU 146 Ca 0.01 -2.01 -0.30 0.00 -0.41 0.00 0.00 54.97 52.27 1uww s GLU 146 Cb -0.13 -4.79 -0.04 0.00 -1.78 0.00 0.00 34.13 27.40 1uww s GLU 146 CO 0.03 -1.63 1.21 0.08 -0.49 0.00 0.00 175.26 174.46 1uww s VAL 147 N 1.90 4.19 -0.16 2.63 1.01 -0.24 -4.95 120.40 124.79 1uww s VAL 147 Ca 0.29 1.53 -0.04 0.00 0.00 0.00 0.00 61.98 63.76 1uww s VAL 147 Cb -0.06 -3.99 0.05 0.00 0.00 0.00 0.00 36.38 32.39 1uww s VAL 147 CO -0.09 0.01 0.07 -0.75 0.00 0.00 0.00 175.10 174.34 1uww s LYS 148 N 2.07 0.22 -0.15 2.72 2.20 -1.26 -1.80 119.74 123.74 1uww s LYS 148 Ca 0.57 -0.10 0.01 0.00 -0.36 0.00 0.00 55.97 56.09 1uww s LYS 148 Cb -0.26 -1.70 0.01 0.00 -1.51 0.00 0.00 37.83 34.37 1uww s LYS 148 CO 0.23 -0.60 -0.19 0.42 -0.36 0.00 0.00 175.35 174.85 1uww s ILE 149 N 2.07 2.30 -0.17 5.43 1.01 0.17 -4.98 121.20 127.03 1uww s ILE 149 Ca 0.02 -0.89 -0.29 0.00 0.00 0.00 0.00 60.65 59.48 1uww s ILE 149 Cb -0.16 -1.95 -0.01 0.00 0.01 0.00 0.00 42.46 40.36 1uww s ILE 149 CO -0.08 0.53 1.23 0.21 0.00 0.00 0.00 174.94 176.83 1uww s ASN 150 N 0.86 6.97 -0.00 3.58 3.84 -1.26 -1.04 114.94 127.89 1uww s ASN 150 Ca -0.05 1.65 0.14 0.00 0.21 0.00 0.00 52.86 54.81 1uww s ASN 150 Cb -0.15 -2.54 -0.17 0.00 -0.55 0.00 0.00 41.25 37.84 1uww s ASN 150 CO -0.02 -0.74 0.52 1.33 -2.79 0.00 0.00 177.10 175.39 1uww n VAL 151 N 5.34 0.00 -0.00 -5.21 0.24 0.26 -4.37 118.33 114.59 1uww n VAL 151 Ca 0.14 -0.21 0.12 0.00 -2.04 0.00 0.00 64.34 62.35 1uww n VAL 151 Cb 0.45 0.80 0.56 0.00 -1.47 0.00 0.00 33.84 34.18 1uww n VAL 151 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1uww h ARG 152 N 0.00 0.26 -0.00 7.34 9.65 -1.64 -2.41 114.38 127.58 1uww h ARG 152 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1uww h ARG 152 Cb 0.40 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.93 1uww h ARG 152 CO 0.00 0.17 0.00 -0.25 2.80 0.00 0.00 179.97 182.69 1uww n ASP 153 N -4.46 0.05 -4.56 -3.80 8.00 -1.26 -4.64 116.55 105.88 1uww n ASP 153 Ca 0.07 -1.20 -0.43 0.00 0.71 0.00 0.00 54.79 53.95 1uww n ASP 153 Cb 0.35 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.42 1uww n ASP 153 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1uww s ILE 154 N -2.00 4.23 -0.53 0.53 1.01 -0.91 -4.82 121.20 118.72 1uww s ILE 154 Ca 0.39 0.72 0.24 0.00 0.00 0.00 0.00 60.65 62.00 1uww s ILE 154 Cb 0.18 -4.60 0.23 0.00 0.01 0.00 0.00 42.46 38.28 1uww s ILE 154 CO 0.30 -1.14 1.54 0.71 0.00 0.00 0.00 174.94 176.34 1uww h THR 155 N 6.11 0.00 -0.38 2.92 1.35 -1.89 -3.28 112.91 117.74 1uww h THR 155 Ca -0.25 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 1uww h THR 155 Cb 1.07 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 1uww h THR 155 CO 1.12 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 176.98 1uww n ASN 156 N -2.65 3.45 -4.37 5.36 3.02 -1.26 -4.78 115.26 114.04 1uww n ASN 156 Ca 0.04 -2.40 -0.19 0.00 -0.03 0.00 0.00 54.58 52.00 1uww n ASN 156 Cb 0.49 -0.52 -0.10 0.00 -0.61 0.00 0.00 39.78 39.03 1uww n ASN 156 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1uww s ILE 157 N -1.88 1.41 0.45 2.41 -4.36 -1.24 -4.85 121.20 113.14 1uww s ILE 157 Ca 0.32 -2.10 0.05 0.00 -0.26 0.00 0.00 60.65 58.67 1uww s ILE 157 Cb 0.22 -2.31 -0.04 0.00 1.25 0.00 0.00 42.46 41.58 1uww s ILE 157 CO 0.13 -0.38 0.11 -1.10 0.24 0.00 0.00 174.94 173.94 1uww s GLN 158 N -3.77 2.15 0.52 0.37 -0.21 -1.26 -4.99 119.66 112.47 1uww s GLN 158 Ca 0.27 -2.08 0.28 0.00 0.02 0.00 0.00 55.36 53.86 1uww s GLN 158 Cb 0.04 -1.79 1.45 0.00 1.00 0.00 0.00 33.01 33.71 1uww s GLN 158 CO 0.09 -0.22 2.06 -0.44 -2.12 0.00 0.00 175.29 174.66 1uww h ASP 159 N 1.43 0.00 -0.32 5.90 3.32 -1.97 -2.48 116.42 122.29 1uww h ASP 159 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1uww h ASP 159 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1uww h ASP 159 CO 0.73 0.12 0.00 -0.90 -1.72 0.00 0.00 179.24 177.46 1uww n ASP 160 N -3.55 3.10 -4.71 6.45 5.75 -1.26 -1.27 116.55 121.07 1uww n ASP 160 Ca -0.01 -1.90 -0.42 0.00 -0.01 0.00 0.00 54.79 52.45 1uww n ASP 160 Cb 0.25 -0.21 -0.03 0.00 -1.03 0.00 0.00 41.12 40.10 1uww n ASP 160 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1uww s THR 161 N -1.27 2.73 -0.12 2.12 2.01 -0.93 -4.94 115.64 115.22 1uww s THR 161 Ca 0.31 0.42 -0.29 0.00 0.31 0.00 0.00 61.69 62.44 1uww s THR 161 Cb 0.18 -3.27 -0.03 0.00 0.01 0.00 0.00 72.50 69.39 1uww s THR 161 CO 0.25 0.02 1.38 -0.76 -0.69 0.00 0.00 174.62 174.82 1uww s LEU 162 N 1.70 4.23 0.14 4.42 1.43 -1.26 -4.47 118.68 124.86 1uww s LEU 162 Ca 0.72 1.87 0.23 0.00 -1.03 0.00 0.00 54.13 55.91 1uww s LEU 162 Cb -0.43 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.25 1uww s LEU 162 CO 0.32 -0.80 0.99 0.18 0.23 0.00 0.00 176.35 177.27 1uww n LEU 163 N 6.67 0.67 0.00 1.79 4.77 -0.08 -4.35 117.00 126.47 1uww n LEU 163 Ca 0.15 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1uww n LEU 163 Cb 0.44 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1uww n LEU 163 CO 0.58 -0.11 0.00 -1.14 -1.33 0.00 0.00 177.39 175.39 1uww n ARG 164 N -2.43 0.00 -0.67 3.23 0.63 -1.26 -2.42 116.66 113.74 1uww n ARG 164 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1uww n ARG 164 Cb 0.52 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.43 1uww n ARG 164 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1uww n ASN 165 N 2.51 0.00 -3.65 6.15 6.94 -1.26 -2.20 115.26 123.75 1uww n ASN 165 Ca 0.00 -0.46 -0.02 0.00 -0.02 0.00 0.00 54.58 54.08 1uww n ASN 165 Cb 0.00 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.37 1uww n ASN 165 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1uww s ILE 168 N -2.29 -0.88 -0.16 1.53 1.01 -0.65 -2.54 121.20 117.22 1uww s ILE 168 Ca 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.63 1uww s ILE 168 Cb 0.00 -0.96 -0.03 0.00 0.01 0.00 0.00 42.46 41.48 1uww s ILE 168 CO 0.00 0.01 -0.03 -0.63 0.00 0.00 0.00 174.94 174.29 1uww s ILE 169 N 2.76 3.96 -0.65 2.92 1.01 -0.28 -1.09 121.20 129.84 1uww s ILE 169 Ca -0.06 -0.33 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 1uww s ILE 169 Cb -0.11 -2.75 0.16 0.00 0.01 0.00 0.00 42.46 39.77 1uww s ILE 169 CO -0.18 0.48 0.46 -0.36 0.00 0.00 0.00 174.94 175.34 1uww s PHE 170 N 0.43 3.42 -0.03 3.97 0.40 -0.24 -1.25 117.98 124.68 1uww s PHE 170 Ca -0.03 -2.83 -0.09 0.00 -0.60 0.00 0.00 56.93 53.38 1uww s PHE 170 Cb -0.14 -3.14 -0.05 0.00 0.51 0.00 0.00 43.02 40.20 1uww s PHE 170 CO 0.03 -0.81 0.28 0.00 0.70 0.00 0.00 175.22 175.42 1uww s ALA 171 N -0.29 3.81 0.20 5.36 0.00 0.61 -3.58 121.76 127.86 1uww s ALA 171 Ca 0.18 -0.48 -0.30 0.00 0.00 0.00 0.00 51.96 51.36 1uww s ALA 171 Cb -0.19 -2.14 -0.08 0.00 0.00 0.00 0.00 23.12 20.71 1uww s ALA 171 CO -0.04 0.59 1.22 0.34 0.00 0.00 0.00 175.76 177.86 1uww s ASP 172 N -1.30 7.05 -0.61 0.00 2.15 -1.26 -0.66 116.67 122.03 1uww s ASP 172 Ca 0.23 2.29 0.04 0.00 0.43 0.00 0.00 52.55 55.54 1uww s ASP 172 Cb -0.14 -2.61 0.16 0.00 -0.30 0.00 0.00 42.92 40.03 1uww s ASP 172 CO 0.11 -0.40 0.42 -0.69 -0.17 0.00 0.00 175.17 174.45 1uww s VAL 173 N -0.12 2.24 -1.44 1.11 1.01 -0.06 -4.86 120.40 118.29 1uww s VAL 173 Ca 0.53 -3.72 -0.08 0.00 0.00 0.00 0.00 61.98 58.71 1uww s VAL 173 Cb -0.34 -2.50 0.04 0.00 0.00 0.00 0.00 36.38 33.59 1uww s VAL 173 CO 0.38 -1.02 0.66 -0.62 0.00 0.00 0.00 175.10 174.50 1uww n GLU 174 N 2.39 -4.63 -3.40 2.72 1.02 -1.26 -1.42 120.64 116.06 1uww n GLU 174 Ca 0.19 0.69 -0.19 0.00 -0.02 0.00 0.00 57.16 57.83 1uww n GLU 174 Cb 0.37 -5.52 -0.01 0.00 -0.02 0.00 0.00 31.44 26.26 1uww n GLU 174 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1uww s SER 175 N -2.84 5.58 -0.19 1.62 1.04 -1.26 -3.62 113.70 114.03 1uww s SER 175 Ca 0.41 -0.42 0.15 0.00 0.48 0.00 0.00 55.95 56.57 1uww s SER 175 Cb -0.20 -0.88 0.42 0.00 0.10 0.00 0.00 66.02 65.46 1uww s SER 175 CO 0.51 -0.56 1.30 -0.90 0.98 0.00 0.00 173.24 174.56 1uww n ASP 176 N -1.64 2.59 -4.69 7.02 5.75 -1.22 -4.93 116.55 119.43 1uww n ASP 176 Ca 0.03 -3.40 -0.44 0.00 -0.01 0.00 0.00 54.79 50.96 1uww n ASP 176 Cb 0.59 -0.52 -0.03 0.00 -1.03 0.00 0.00 41.12 40.13 1uww n ASP 176 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1uww n PHE 177 N -1.09 2.41 -3.77 2.11 7.35 -1.26 -4.48 117.46 118.73 1uww n PHE 177 Ca 0.22 0.30 -0.13 0.00 -0.76 0.00 0.00 57.45 57.08 1uww n PHE 177 Cb 0.80 -2.54 -0.12 0.00 0.35 0.00 0.00 39.48 37.96 1uww n PHE 177 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1uww s ALA 178 N 0.37 -0.53 0.00 3.13 0.00 -0.33 -1.92 121.76 122.48 1uww s ALA 178 Ca 0.71 0.74 0.00 0.00 0.00 0.00 0.00 51.96 53.41 1uww s ALA 178 Cb -0.61 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.06 1uww s ALA 178 CO 0.44 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.47 1uww n GLY 179 N 3.43 -0.46 3.73 0.00 0.00 -0.46 -0.45 105.19 110.99 1uww n GLY 179 Ca -0.17 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.17 1uww n GLY 179 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1uww s ARG 180 N -2.00 3.07 0.23 1.61 3.52 -0.82 -1.73 118.95 122.82 1uww s ARG 180 Ca 0.00 -0.37 0.09 0.00 -0.13 0.00 0.00 55.73 55.32 1uww s ARG 180 Cb 0.00 -2.87 -0.05 0.00 -1.56 0.00 0.00 34.95 30.47 1uww s ARG 180 CO 0.00 0.71 -0.16 0.14 -0.81 0.00 0.00 175.30 175.18 1uww s VAL 181 N -0.94 1.93 -0.05 7.11 -7.23 -0.35 -0.62 120.40 120.25 1uww s VAL 181 Ca 0.15 -2.26 -0.04 0.00 -1.81 0.00 0.00 61.98 58.02 1uww s VAL 181 Cb -0.12 -2.13 0.02 0.00 0.56 0.00 0.00 36.38 34.72 1uww s VAL 181 CO 0.04 -0.53 0.12 -0.36 -0.31 0.00 0.00 175.10 174.05 1uww s PHE 182 N -2.85 -0.13 -0.07 2.82 0.40 -0.30 -2.46 117.98 115.38 1uww s PHE 182 Ca 0.25 0.35 0.04 0.00 -0.60 0.00 0.00 56.93 56.96 1uww s PHE 182 Cb -0.02 0.01 0.00 0.00 0.51 0.00 0.00 43.02 43.52 1uww s PHE 182 CO 0.09 -0.09 -0.19 0.08 0.70 0.00 0.00 175.22 175.82 1uww s VAL 183 N 0.34 1.63 0.03 -0.44 1.01 0.61 -0.70 120.40 122.89 1uww s VAL 183 Ca -0.02 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 1uww s VAL 183 Cb -0.04 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 1uww s VAL 183 CO -0.01 0.46 0.01 -0.62 0.00 0.00 0.00 175.10 174.94 1uww s ASP 184 N 0.34 0.30 -1.23 3.32 2.15 -0.23 -1.09 116.67 120.22 1uww s ASP 184 Ca -0.13 -0.66 -0.03 0.00 0.43 0.00 0.00 52.55 52.16 1uww s ASP 184 Cb -0.16 0.17 0.00 0.00 -0.30 0.00 0.00 42.92 42.64 1uww s ASP 184 CO 0.05 -0.46 1.05 0.59 -0.17 0.00 0.00 175.17 176.23 1uww n ASN 185 N 0.88 -3.50 -4.69 -0.34 3.02 -0.38 -0.73 115.26 109.53 1uww n ASN 185 Ca -0.19 -0.58 -0.42 0.00 -0.03 0.00 0.00 54.58 53.35 1uww n ASN 185 Cb 0.58 -5.03 -0.03 0.00 -0.61 0.00 0.00 39.78 34.70 1uww n ASN 185 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1uww s VAL 186 N -3.34 4.09 0.17 2.41 1.01 -0.80 -4.22 120.40 119.72 1uww s VAL 186 Ca 0.20 1.43 -0.22 0.00 0.00 0.00 0.00 61.98 63.38 1uww s VAL 186 Cb -0.09 -3.92 0.06 0.00 0.00 0.00 0.00 36.38 32.44 1uww s VAL 186 CO 0.72 -0.01 0.60 0.00 0.00 0.00 0.00 175.10 176.41 1uww s ARG 187 N 2.37 1.33 0.30 2.72 1.70 -0.57 -0.99 118.95 125.80 1uww s ARG 187 Ca 0.58 -0.55 -0.23 0.00 -0.47 0.00 0.00 55.73 55.06 1uww s ARG 187 Cb -0.26 0.58 -0.09 0.00 -0.57 0.00 0.00 34.95 34.61 1uww s ARG 187 CO 0.23 -0.58 0.87 -0.06 -1.08 0.00 0.00 175.30 174.67 1uww s PHE 188 N -3.78 3.65 0.11 5.89 0.08 -1.26 -0.98 117.98 121.70 1uww s PHE 188 Ca 0.02 1.63 -0.08 0.00 0.12 0.00 0.00 56.93 58.63 1uww s PHE 188 Cb -0.01 -2.81 -0.01 0.00 -0.57 0.00 0.00 43.02 39.62 1uww s PHE 188 CO -0.10 0.23 0.20 -1.83 -0.10 0.00 0.00 175.22 173.62 1uww s GLU 189 N -2.11 0.94 0.44 0.44 -1.05 -0.02 -4.93 118.70 112.42 1uww s GLU 189 Ca 0.49 -1.07 -0.09 0.00 -0.15 0.00 0.00 54.97 54.15 1uww s GLU 189 Cb -0.17 0.34 -0.05 0.00 -0.44 0.00 0.00 34.13 33.81 1uww s GLU 189 CO 0.22 -0.31 0.79 0.20 0.95 0.00 0.00 175.26 177.11 1uww s GLY 190 N -2.91 1.77 0.00 -3.83 0.00 -1.26 -1.07 107.32 100.02 1uww s GLY 190 Ca 0.10 -0.31 0.17 0.00 0.00 0.00 0.00 44.72 44.68 1uww s GLY 190 CO -0.07 -0.12 1.40 0.00 0.00 0.00 0.00 173.10 174.31