#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ww4 n THR 3 N 0.00 0.00 -0.69 4.28 5.66 -1.26 -5.16 114.28 117.11 1ww4 n THR 3 Ca 0.00 -1.44 -0.28 0.00 -3.05 0.00 0.00 64.05 59.28 1ww4 n THR 3 Cb 0.00 1.46 0.24 0.00 -1.55 0.00 0.00 70.33 70.48 1ww4 n THR 3 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1ww4 s SER 4 N -1.19 1.01 -0.02 1.09 0.01 -1.26 -4.92 113.70 108.43 1ww4 s SER 4 Ca 0.22 1.30 -0.03 0.00 1.31 0.00 0.00 55.95 58.75 1ww4 s SER 4 Cb 0.29 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.51 1ww4 s SER 4 CO -0.06 -4.15 0.07 0.00 0.41 0.00 0.00 173.24 169.51 1ww4 s ALA 5 N -2.58 -0.17 -0.16 1.44 0.00 0.27 -5.00 121.76 115.58 1ww4 s ALA 5 Ca 0.68 0.04 -0.04 0.00 0.00 0.00 0.00 51.96 52.65 1ww4 s ALA 5 Cb -0.22 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 1ww4 s ALA 5 CO 0.62 -0.08 -0.04 0.08 0.00 0.00 0.00 175.76 176.34 1ww4 s VAL 6 N -0.41 3.79 -0.04 0.00 1.01 -1.26 -2.10 120.40 121.39 1ww4 s VAL 6 Ca -0.05 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.58 1ww4 s VAL 6 Cb -0.03 -2.66 -0.00 0.00 0.00 0.00 0.00 36.38 33.68 1ww4 s VAL 6 CO 0.00 0.48 -0.15 0.20 0.00 0.00 0.00 175.10 175.63 1ww4 s ASN 7 N 0.50 1.94 -0.10 3.32 0.01 -0.76 -4.98 114.94 114.88 1ww4 s ASN 7 Ca -0.04 -0.31 0.03 0.00 -0.71 0.00 0.00 52.86 51.83 1ww4 s ASN 7 Cb -0.14 -0.50 -0.01 0.00 0.41 0.00 0.00 41.25 41.01 1ww4 s ASN 7 CO 0.03 0.14 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.93 1ww4 s ILE 8 N 0.02 2.46 0.00 0.60 1.01 -1.26 -0.94 121.20 123.10 1ww4 s ILE 8 Ca -0.03 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 59.76 1ww4 s ILE 8 Cb -0.10 -1.97 -0.01 0.00 0.01 0.00 0.00 42.46 40.39 1ww4 s ILE 8 CO 0.01 0.55 -0.09 -0.31 0.00 0.00 0.00 174.94 175.11 1ww4 s TYR 9 N 0.14 0.81 -0.26 3.97 2.02 0.10 -4.98 117.35 119.15 1ww4 s TYR 9 Ca -0.10 -0.20 -0.09 0.00 -0.37 0.00 0.00 57.07 56.30 1ww4 s TYR 9 Cb -0.16 -0.51 -0.04 0.00 -0.40 0.00 0.00 41.96 40.85 1ww4 s TYR 9 CO 0.06 -0.01 0.12 -0.80 -1.57 0.00 0.00 175.55 173.35 1ww4 s ASN 10 N -0.45 5.52 -0.29 2.29 0.01 -1.26 -0.11 114.94 120.64 1ww4 s ASN 10 Ca 0.02 -0.12 -0.04 0.00 -0.71 0.00 0.00 52.86 52.01 1ww4 s ASN 10 Cb -0.04 -2.01 0.03 0.00 0.41 0.00 0.00 41.25 39.64 1ww4 s ASN 10 CO -0.00 -0.04 0.02 -0.63 -1.51 0.00 0.00 177.10 174.95 1ww4 s ILE 11 N 1.64 3.37 0.31 0.60 1.01 -0.11 -4.96 121.20 123.07 1ww4 s ILE 11 Ca 0.07 -1.02 -0.26 0.00 0.00 0.00 0.00 60.65 59.44 1ww4 s ILE 11 Cb -0.15 -2.80 -0.10 0.00 0.01 0.00 0.00 42.46 39.42 1ww4 s ILE 11 CO 0.07 0.03 0.92 -0.44 0.00 0.00 0.00 174.94 175.52 1ww4 s SER 12 N 1.37 7.34 0.22 3.58 0.01 -1.26 -1.11 113.70 123.85 1ww4 s SER 12 Ca -0.01 1.81 -0.31 0.00 1.31 0.00 0.00 55.95 58.75 1ww4 s SER 12 Cb -0.18 -2.57 -0.14 0.00 0.21 0.00 0.00 66.02 63.34 1ww4 s SER 12 CO -0.00 -0.04 1.23 0.00 0.41 0.00 0.00 173.24 174.83 1ww4 n ALA 13 N 0.66 0.03 -0.26 1.44 0.00 0.02 -0.31 120.51 122.08 1ww4 n ALA 13 Ca 0.01 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1ww4 n ALA 13 Cb 0.50 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1ww4 n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ww4 n GLY 14 N 1.89 1.40 3.99 0.00 0.00 0.42 -4.95 105.19 107.94 1ww4 n GLY 14 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 1ww4 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ww4 s ALA 15 N -2.87 4.44 -0.04 4.61 0.00 0.57 -4.92 121.76 123.55 1ww4 s ALA 15 Ca 0.00 -1.65 -0.01 0.00 0.00 0.00 0.00 51.96 50.30 1ww4 s ALA 15 Cb 0.00 -1.58 0.03 0.00 0.00 0.00 0.00 23.12 21.57 1ww4 s ALA 15 CO 0.00 -0.23 0.07 0.45 0.00 0.00 0.00 175.76 176.05 1ww4 s SER 16 N -4.30 -0.01 0.04 0.00 0.15 -1.26 -1.73 113.70 106.59 1ww4 s SER 16 Ca 0.53 0.14 0.09 0.00 0.70 0.00 0.00 55.95 57.40 1ww4 s SER 16 Cb -0.09 0.04 -0.03 0.00 -1.71 0.00 0.00 66.02 64.23 1ww4 s SER 16 CO 0.32 -0.12 -0.26 0.68 1.20 0.00 0.00 173.24 175.06 1ww4 s VAL 17 N 0.97 2.19 -0.23 4.45 -7.23 -0.18 -4.96 120.40 115.41 1ww4 s VAL 17 Ca -0.08 -1.36 -0.19 0.00 -1.81 0.00 0.00 61.98 58.54 1ww4 s VAL 17 Cb -0.11 -1.85 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 1ww4 s VAL 17 CO -0.04 0.38 0.58 -1.81 -0.31 0.00 0.00 175.10 173.90 1ww4 s ASP 18 N -1.22 6.56 0.24 4.85 1.01 -1.26 -1.96 116.67 124.90 1ww4 s ASP 18 Ca 0.12 0.68 -0.30 0.00 0.71 0.00 0.00 52.55 53.76 1ww4 s ASP 18 Cb -0.10 -2.32 -0.10 0.00 1.01 0.00 0.00 42.92 41.42 1ww4 s ASP 18 CO 0.02 -0.29 1.40 -0.76 0.21 0.00 0.00 175.17 175.75 1ww4 s LEU 19 N 2.13 4.40 0.36 1.23 1.43 -0.35 -4.88 118.68 123.00 1ww4 s LEU 19 Ca 0.25 2.59 0.27 0.00 -1.03 0.00 0.00 54.13 56.22 1ww4 s LEU 19 Cb -0.16 -3.62 1.05 0.00 0.03 0.00 0.00 46.19 43.49 1ww4 s LEU 19 CO 0.09 -0.64 1.81 0.00 0.23 0.00 0.00 176.35 177.84 1ww4 h ALA 20 N 5.03 1.00 -3.23 4.21 0.00 -1.96 -3.41 119.26 120.91 1ww4 h ALA 20 Ca -0.46 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.17 1ww4 h ALA 20 Cb 1.22 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 18.67 1ww4 h ALA 20 CO 0.77 0.00 -0.64 0.00 0.00 0.00 0.00 179.25 179.38 1ww4 s ALA 21 N -3.40 -0.14 0.49 0.00 0.00 -1.26 -5.14 121.76 112.30 1ww4 s ALA 21 Ca 0.04 0.55 -0.22 0.00 0.00 0.00 0.00 51.96 52.33 1ww4 s ALA 21 Cb 0.09 -0.58 -0.07 0.00 0.00 0.00 0.00 23.12 22.56 1ww4 s ALA 21 CO 0.49 -0.33 1.15 -1.25 0.00 0.00 0.00 175.76 175.81 1ww4 s PRO 22 N 1.67 3.62 -0.34 0.00 0.04 -1.26 -4.97 135.00 133.76 1ww4 s PRO 22 Ca -0.03 1.70 -0.18 0.00 0.04 0.00 0.00 61.00 62.53 1ww4 s PRO 22 Cb -0.12 -2.26 -0.01 0.00 0.04 0.00 0.00 34.50 32.16 1ww4 s PRO 22 CO -0.05 -0.65 0.52 0.08 0.04 0.00 0.00 177.00 176.94 1ww4 s VAL 23 N -1.64 5.02 0.00 -0.36 1.01 0.39 -4.91 120.40 119.90 1ww4 s VAL 23 Ca 0.67 0.44 0.00 0.00 0.00 0.00 0.00 61.98 63.09 1ww4 s VAL 23 Cb -0.26 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1ww4 s VAL 23 CO 0.31 -0.17 0.00 1.07 0.00 0.00 0.00 175.10 176.31 1ww4 n THR 24 N 5.40 0.00 -1.67 3.92 5.66 -1.26 -0.91 114.28 125.41 1ww4 n THR 24 Ca -0.04 0.00 -0.49 0.00 -3.05 0.00 0.00 64.05 60.47 1ww4 n THR 24 Cb 0.49 -0.02 -0.05 0.00 -1.55 0.00 0.00 70.33 69.20 1ww4 n THR 24 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1ww4 n THR 25 N -0.02 0.24 0.00 1.09 -1.04 -1.26 -1.13 114.28 112.16 1ww4 n THR 25 Ca 0.00 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1ww4 n THR 25 Cb 0.00 -1.54 0.00 0.00 -1.82 0.00 0.00 70.33 66.97 1ww4 n THR 25 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ww4 n GLY 26 N 3.73 1.12 3.93 3.41 0.00 0.62 -4.65 105.19 113.36 1ww4 n GLY 26 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 1ww4 n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ww4 s ASP 27 N -2.59 5.25 0.12 1.61 1.01 -0.28 -4.50 116.67 117.29 1ww4 s ASP 27 Ca 0.00 0.45 0.07 0.00 0.71 0.00 0.00 52.55 53.78 1ww4 s ASP 27 Cb 0.00 -1.31 -0.04 0.00 1.01 0.00 0.00 42.92 42.58 1ww4 s ASP 27 CO 0.00 -1.26 -0.17 -0.63 0.21 0.00 0.00 175.17 173.33 1ww4 s ILE 28 N -3.02 1.51 -0.04 0.77 1.01 0.05 -2.33 121.20 119.15 1ww4 s ILE 28 Ca 0.56 -1.68 -0.02 0.00 0.00 0.00 0.00 60.65 59.52 1ww4 s ILE 28 Cb -0.11 -1.56 0.03 0.00 0.01 0.00 0.00 42.46 40.84 1ww4 s ILE 28 CO 0.43 -0.29 0.06 -0.69 0.00 0.00 0.00 174.94 174.46 1ww4 s VAL 29 N -1.79 -0.10 -0.02 2.92 1.01 -0.71 -0.90 120.40 120.81 1ww4 s VAL 29 Ca 0.09 0.35 0.07 0.00 0.00 0.00 0.00 61.98 62.49 1ww4 s VAL 29 Cb -0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 1ww4 s VAL 29 CO 0.04 0.15 -0.25 -0.89 0.00 0.00 0.00 175.10 174.15 1ww4 s THR 30 N 1.81 1.95 -0.16 3.92 2.01 -0.27 -0.08 115.64 124.82 1ww4 s THR 30 Ca 0.00 -1.05 -0.04 0.00 0.31 0.00 0.00 61.69 60.91 1ww4 s THR 30 Cb -0.12 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.73 1ww4 s THR 30 CO -0.03 0.55 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.05 1ww4 s PHE 31 N -0.52 3.01 -0.16 4.92 0.08 0.17 -1.75 117.98 123.73 1ww4 s PHE 31 Ca 0.08 -0.33 -0.02 0.00 0.12 0.00 0.00 56.93 56.78 1ww4 s PHE 31 Cb -0.10 -1.96 -0.02 0.00 -0.57 0.00 0.00 43.02 40.37 1ww4 s PHE 31 CO -0.00 -0.06 -0.08 -0.06 -0.10 0.00 0.00 175.22 174.91 1ww4 s PHE 32 N 0.40 2.91 -0.09 0.36 0.08 0.18 -1.17 117.98 120.65 1ww4 s PHE 32 Ca -0.04 -0.62 0.04 0.00 0.12 0.00 0.00 56.93 56.43 1ww4 s PHE 32 Cb -0.14 -1.94 -0.01 0.00 -0.57 0.00 0.00 43.02 40.36 1ww4 s PHE 32 CO 0.03 -0.24 -0.21 0.45 -0.10 0.00 0.00 175.22 175.15 1ww4 s SER 33 N 0.62 3.41 -0.15 1.36 0.15 0.20 -1.38 113.70 117.90 1ww4 s SER 33 Ca -0.05 -0.45 0.13 0.00 0.70 0.00 0.00 55.95 56.28 1ww4 s SER 33 Cb -0.15 -1.19 0.64 0.00 -1.71 0.00 0.00 66.02 63.61 1ww4 s SER 33 CO 0.03 0.21 1.50 -1.54 1.20 0.00 0.00 173.24 174.64 1ww4 n SER 34 N 3.18 4.52 -3.58 5.45 3.41 -1.26 -1.38 113.62 123.96 1ww4 n SER 34 Ca -0.18 -2.59 -0.13 0.00 -0.26 0.00 0.00 58.87 55.71 1ww4 n SER 34 Cb 0.52 -0.60 -0.05 0.00 -0.26 0.00 0.00 64.21 63.82 1ww4 n SER 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ww4 s ALA 35 N -2.16 -1.27 -0.11 7.33 0.00 -1.12 -4.64 121.76 119.79 1ww4 s ALA 35 Ca 0.44 0.49 -0.04 0.00 0.00 0.00 0.00 51.96 52.84 1ww4 s ALA 35 Cb 0.31 0.45 0.06 0.00 0.00 0.00 0.00 23.12 23.94 1ww4 s ALA 35 CO 0.16 -0.53 0.22 -1.17 0.00 0.00 0.00 175.76 174.44 1ww4 s LEU 36 N -2.12 -0.20 -0.46 0.00 2.96 -1.25 -4.12 118.68 113.49 1ww4 s LEU 36 Ca -0.04 0.45 0.03 0.00 -0.22 0.00 0.00 54.13 54.35 1ww4 s LEU 36 Cb -0.00 0.51 0.13 0.00 0.50 0.00 0.00 46.19 47.32 1ww4 s LEU 36 CO -0.04 -0.25 0.22 0.20 -1.32 0.00 0.00 176.35 175.17 1ww4 s ASN 37 N 2.36 4.08 0.00 3.68 0.02 -0.76 -4.82 114.94 119.51 1ww4 s ASN 37 Ca 0.02 -2.71 0.29 0.00 -1.02 0.00 0.00 52.86 49.44 1ww4 s ASN 37 Cb -0.12 -1.36 1.29 0.00 0.02 0.00 0.00 41.25 41.07 1ww4 s ASN 37 CO -0.08 -0.27 1.95 0.18 0.02 0.00 0.00 177.10 178.91 1ww4 n LEU 38 N 3.47 0.01 -2.50 0.60 7.99 -1.26 -3.49 117.00 121.82 1ww4 n LEU 38 Ca 0.06 0.45 -0.22 0.00 -0.01 0.00 0.00 56.01 56.28 1ww4 n LEU 38 Cb 0.34 -0.45 0.01 0.00 -0.11 0.00 0.00 43.42 43.21 1ww4 n LEU 38 CO 0.28 0.00 0.12 -1.54 -1.51 0.00 0.00 177.39 174.74 1ww4 n SER 39 N -1.45 3.93 -0.07 -1.43 3.41 -1.26 -4.85 113.62 111.89 1ww4 n SER 39 Ca 0.09 -3.47 -0.15 0.00 -0.26 0.00 0.00 58.87 55.08 1ww4 n SER 39 Cb 0.32 -0.47 -0.12 0.00 -0.26 0.00 0.00 64.21 63.68 1ww4 n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ww4 h ALA 40 N 2.65 0.04 0.00 7.33 0.00 -1.90 -3.51 119.26 123.88 1ww4 h ALA 40 Ca 0.21 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1ww4 h ALA 40 Cb 1.02 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1ww4 h ALA 40 CO 0.75 0.11 0.00 0.41 0.00 0.00 0.00 179.25 180.53 1ww4 n GLY 41 N 1.59 -0.09 3.88 0.00 0.00 -1.26 -4.85 105.19 104.45 1ww4 n GLY 41 Ca -0.13 -1.32 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 1ww4 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ww4 s ALA 42 N -1.00 3.77 0.05 4.61 0.00 -1.26 -4.32 121.76 123.61 1ww4 s ALA 42 Ca 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 51.96 51.49 1ww4 s ALA 42 Cb 0.00 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 1ww4 s ALA 42 CO 0.00 0.61 0.17 0.20 0.00 0.00 0.00 175.76 176.74 1ww4 s GLY 43 N -1.83 2.15 -0.96 0.00 0.00 -1.26 -4.86 107.32 100.56 1ww4 s GLY 43 Ca 0.32 -0.86 -0.00 0.00 0.00 0.00 0.00 44.72 44.18 1ww4 s GLY 43 CO 0.18 -0.81 1.66 1.44 0.00 0.00 0.00 173.10 175.57 1ww4 n SER 44 N 0.51 6.81 0.04 1.64 7.64 -1.26 -3.95 113.62 125.06 1ww4 n SER 44 Ca -0.07 -3.67 0.11 0.00 1.01 0.00 0.00 58.87 56.26 1ww4 n SER 44 Cb 0.52 -1.08 0.02 0.00 -1.01 0.00 0.00 64.21 62.65 1ww4 n SER 44 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1ww4 n PRO 45 N 0.03 0.39 -2.84 1.43 -0.04 -1.26 -5.05 135.00 127.66 1ww4 n PRO 45 Ca 0.43 0.01 -0.41 0.00 -0.04 0.00 0.00 63.50 63.49 1ww4 n PRO 45 Cb 0.29 -1.65 -0.04 0.00 -0.04 0.00 0.00 33.50 32.07 1ww4 n PRO 45 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1ww4 s ASN 46 N -4.31 7.13 0.08 3.54 0.02 -1.25 -4.71 114.94 115.44 1ww4 s ASN 46 Ca 0.02 1.38 -0.09 0.00 -1.02 0.00 0.00 52.86 53.15 1ww4 s ASN 46 Cb 0.13 -2.50 -0.23 0.00 0.02 0.00 0.00 41.25 38.67 1ww4 s ASN 46 CO 0.80 -0.31 1.17 0.78 0.02 0.00 0.00 177.10 179.56 1ww4 h ASN 47 N 7.01 0.67 -3.57 -1.22 4.21 -1.18 -3.26 115.58 118.23 1ww4 h ASN 47 Ca -0.35 -0.62 -0.13 0.00 1.21 0.00 0.00 56.30 56.41 1ww4 h ASN 47 Cb 1.17 -0.21 -0.26 0.00 -1.12 0.00 0.00 38.32 37.91 1ww4 h ASN 47 CO 0.80 1.44 -0.29 -0.89 -1.29 0.00 0.00 177.43 177.20 1ww4 s THR 48 N -2.97 -0.01 -0.02 2.81 2.01 -1.18 -2.66 115.64 113.62 1ww4 s THR 48 Ca -0.07 0.05 0.01 0.00 0.31 0.00 0.00 61.69 61.99 1ww4 s THR 48 Cb 0.07 -0.56 0.01 0.00 0.01 0.00 0.00 72.50 72.03 1ww4 s THR 48 CO 0.90 0.02 -0.05 0.00 -0.69 0.00 0.00 174.62 174.81 1ww4 s ALA 49 N 0.76 0.52 -0.10 7.40 0.00 0.15 -0.75 121.76 129.74 1ww4 s ALA 49 Ca -0.05 -0.12 0.04 0.00 0.00 0.00 0.00 51.96 51.84 1ww4 s ALA 49 Cb -0.06 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.82 1ww4 s ALA 49 CO -0.05 0.05 -0.24 -0.51 0.00 0.00 0.00 175.76 175.01 1ww4 s LEU 50 N 0.38 2.09 -0.02 0.00 2.01 -0.09 -1.35 118.68 121.71 1ww4 s LEU 50 Ca -0.04 -0.56 0.04 0.00 0.01 0.00 0.00 54.13 53.57 1ww4 s LEU 50 Cb -0.08 -1.41 -0.01 0.00 0.01 0.00 0.00 46.19 44.70 1ww4 s LEU 50 CO -0.00 0.15 -0.13 0.20 1.01 0.00 0.00 176.35 177.57 1ww4 s ASN 51 N 0.39 1.63 -0.26 2.29 -0.87 -0.59 -0.75 114.94 116.78 1ww4 s ASN 51 Ca -0.18 -0.25 -0.08 0.00 -1.57 0.00 0.00 52.86 50.78 1ww4 s ASN 51 Cb -0.18 -0.27 -0.03 0.00 -0.02 0.00 0.00 41.25 40.75 1ww4 s ASN 51 CO 0.08 0.15 0.09 -0.76 -2.57 0.00 0.00 177.10 174.09 1ww4 s LEU 52 N -0.17 3.61 0.05 0.60 1.02 0.45 -1.80 118.68 122.43 1ww4 s LEU 52 Ca 0.02 -0.25 0.07 0.00 0.02 0.00 0.00 54.13 54.00 1ww4 s LEU 52 Cb -0.07 -1.95 -0.03 0.00 0.02 0.00 0.00 46.19 44.16 1ww4 s LEU 52 CO 0.00 -0.06 -0.18 -0.76 0.02 0.00 0.00 176.35 175.37 1ww4 s LEU 53 N 1.63 2.63 0.79 1.79 1.43 0.20 -0.57 118.68 126.58 1ww4 s LEU 53 Ca 0.06 -0.43 -0.10 0.00 -1.03 0.00 0.00 54.13 52.63 1ww4 s LEU 53 Cb -0.16 -1.53 0.09 0.00 0.03 0.00 0.00 46.19 44.63 1ww4 s LEU 53 CO 0.05 0.25 1.14 -0.94 0.23 0.00 0.00 176.35 177.08 1ww4 s SER 54 N -1.49 4.42 0.00 2.29 1.04 0.00 -1.72 113.70 118.24 1ww4 s SER 54 Ca 0.15 0.58 0.15 0.00 0.48 0.00 0.00 55.95 57.30 1ww4 s SER 54 Cb -0.11 -1.06 0.69 0.00 0.10 0.00 0.00 66.02 65.64 1ww4 s SER 54 CO 0.06 -1.91 1.43 1.21 0.98 0.00 0.00 173.24 175.00 1ww4 n GLU 55 N -3.24 0.12 0.00 4.02 2.13 -1.26 -1.23 120.64 121.18 1ww4 n GLU 55 Ca 0.09 0.19 0.12 0.00 0.66 0.00 0.00 57.16 58.22 1ww4 n GLU 55 Cb 0.61 -1.50 0.09 0.00 0.27 0.00 0.00 31.44 30.90 1ww4 n GLU 55 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1ww4 n ASN 56 N -1.38 2.33 0.00 4.31 3.02 -1.26 -4.93 115.26 117.35 1ww4 n ASN 56 Ca 0.05 -1.67 0.00 0.00 -0.03 0.00 0.00 54.58 52.93 1ww4 n ASN 56 Cb 0.14 0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.55 1ww4 n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ww4 n GLY 57 N 1.38 0.70 3.76 7.41 0.00 -0.37 -4.68 105.19 113.40 1ww4 n GLY 57 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1ww4 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ww4 s ALA 58 N -2.64 2.72 -1.08 4.61 0.00 -1.26 -4.39 121.76 119.72 1ww4 s ALA 58 Ca 0.00 0.99 -0.14 0.00 0.00 0.00 0.00 51.96 52.81 1ww4 s ALA 58 Cb 0.00 -3.43 0.19 0.00 0.00 0.00 0.00 23.12 19.88 1ww4 s ALA 58 CO 0.00 -0.98 1.22 0.71 0.00 0.00 0.00 175.76 176.71 1ww4 s TYR 59 N -1.58 3.62 0.16 0.00 2.02 0.79 -0.82 117.35 121.54 1ww4 s TYR 59 Ca 0.72 -2.08 -0.24 0.00 -0.37 0.00 0.00 57.07 55.10 1ww4 s TYR 59 Cb -0.30 -4.15 0.05 0.00 -0.40 0.00 0.00 41.96 37.16 1ww4 s TYR 59 CO 0.34 -1.27 1.59 -0.07 -1.57 0.00 0.00 175.55 174.56 1ww4 h LEU 60 N 8.99 -1.23 -7.52 -1.29 -0.00 -1.11 -2.97 115.31 110.17 1ww4 h LEU 60 Ca 0.23 0.21 -0.31 0.00 -0.00 0.00 0.00 57.88 58.01 1ww4 h LEU 60 Cb 0.93 0.57 -0.34 0.00 -0.00 0.00 0.00 40.66 41.81 1ww4 h LEU 60 CO 1.11 -0.34 -0.73 -0.22 -0.00 0.00 0.00 178.44 178.26 1ww4 s LEU 61 N -10.57 1.06 -0.15 1.67 2.96 -0.77 -4.64 118.68 108.23 1ww4 s LEU 61 Ca -0.15 0.03 -0.00 0.00 -0.22 0.00 0.00 54.13 53.80 1ww4 s LEU 61 Cb 0.13 -0.09 -0.01 0.00 0.50 0.00 0.00 46.19 46.73 1ww4 s LEU 61 CO 0.67 -0.13 -0.14 -2.28 -1.32 0.00 0.00 176.35 173.15 1ww4 s HIS 62 N 1.10 2.79 -0.16 5.38 5.65 -0.43 -0.41 115.29 129.21 1ww4 s HIS 62 Ca -0.09 -0.91 0.01 0.00 0.25 0.00 0.00 55.06 54.32 1ww4 s HIS 62 Cb -0.13 -1.88 0.02 0.00 -1.18 0.00 0.00 32.58 29.41 1ww4 s HIS 62 CO -0.03 -0.40 -0.17 0.42 -0.65 0.00 0.00 174.74 173.91 1ww4 s ILE 63 N 0.70 1.80 -0.08 0.89 1.01 0.07 -2.23 121.20 123.37 1ww4 s ILE 63 Ca -0.07 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.81 1ww4 s ILE 63 Cb -0.15 -1.65 0.02 0.00 0.01 0.00 0.00 42.46 40.68 1ww4 s ILE 63 CO 0.02 0.50 -0.09 0.00 0.00 0.00 0.00 174.94 175.37 1ww4 s ALA 64 N 1.33 1.16 -0.24 9.38 0.00 -0.39 -0.91 121.76 132.10 1ww4 s ALA 64 Ca 0.04 -0.39 -0.10 0.00 0.00 0.00 0.00 51.96 51.50 1ww4 s ALA 64 Cb -0.13 -0.67 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 1ww4 s ALA 64 CO -0.11 -0.12 0.15 -0.06 0.00 0.00 0.00 175.76 175.63 1ww4 s PHE 65 N 1.13 3.28 -0.37 0.00 0.40 0.07 -0.41 117.98 122.08 1ww4 s PHE 65 Ca -0.06 0.16 0.03 0.00 -0.60 0.00 0.00 56.93 56.46 1ww4 s PHE 65 Cb -0.14 -2.27 0.11 0.00 0.51 0.00 0.00 43.02 41.22 1ww4 s PHE 65 CO -0.01 0.01 0.09 1.03 0.70 0.00 0.00 175.22 177.04 1ww4 s ARG 66 N 1.16 1.48 0.09 0.44 3.00 0.24 -0.67 118.95 124.68 1ww4 s ARG 66 Ca 0.07 -1.92 -0.27 0.00 0.00 0.00 0.00 55.73 53.61 1ww4 s ARG 66 Cb -0.14 -3.09 -0.15 0.00 0.00 0.00 0.00 34.95 31.57 1ww4 s ARG 66 CO 0.05 -0.98 1.69 -0.07 0.00 0.00 0.00 175.30 175.99 1ww4 h LEU 67 N 7.46 -0.37 -1.56 2.53 4.07 -1.82 0.40 115.31 126.03 1ww4 h LEU 67 Ca -0.05 0.02 0.03 0.00 0.08 0.00 0.00 57.88 57.96 1ww4 h LEU 67 Cb 1.00 0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.82 1ww4 h LEU 67 CO 0.54 -0.24 0.34 0.06 -1.08 0.00 0.00 178.44 178.06 1ww4 h GLN 68 N -0.38 0.56 -0.10 1.13 -0.00 -1.91 0.23 115.11 114.64 1ww4 h GLN 68 Ca -0.03 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.59 1ww4 h GLN 68 Cb 0.32 -0.13 0.00 0.00 -0.00 0.00 0.00 27.48 27.67 1ww4 h GLN 68 CO 0.03 0.37 0.00 0.39 -0.00 0.00 0.00 178.83 179.62 1ww4 n GLU 69 N -4.47 1.90 -4.18 0.06 1.02 -1.11 -4.96 120.64 108.91 1ww4 n GLU 69 Ca 0.06 -1.33 -0.40 0.00 -0.02 0.00 0.00 57.16 55.47 1ww4 n GLU 69 Cb 0.15 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.08 1ww4 n GLU 69 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1ww4 n ASN 70 N 0.58 -1.90 -3.97 1.62 2.85 0.13 -4.93 115.26 109.65 1ww4 n ASN 70 Ca 0.17 -1.29 -0.09 0.00 -0.11 0.00 0.00 54.58 53.26 1ww4 n ASN 70 Cb 0.42 -1.64 -0.05 0.00 1.24 0.00 0.00 39.78 39.75 1ww4 n ASN 70 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1ww4 s VAL 71 N -3.90 0.01 -0.06 3.44 1.01 -0.43 -2.35 120.40 118.11 1ww4 s VAL 71 Ca 0.28 -1.34 0.03 0.00 0.00 0.00 0.00 61.98 60.95 1ww4 s VAL 71 Cb -0.15 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.12 1ww4 s VAL 71 CO 0.98 -0.03 -0.14 -0.63 0.00 0.00 0.00 175.10 175.28 1ww4 s ILE 72 N -4.00 1.27 -0.04 2.22 1.01 -0.65 -0.59 121.20 120.42 1ww4 s ILE 72 Ca 0.20 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.32 1ww4 s ILE 72 Cb -0.01 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 1ww4 s ILE 72 CO 0.07 0.38 -0.12 -0.69 0.00 0.00 0.00 174.94 174.58 1ww4 s VAL 73 N 0.52 3.22 -0.13 2.92 1.01 0.45 -1.01 120.40 127.38 1ww4 s VAL 73 Ca -0.13 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1ww4 s VAL 73 Cb -0.15 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.95 1ww4 s VAL 73 CO 0.04 0.54 -0.14 -0.36 0.00 0.00 0.00 175.10 175.18 1ww4 s PHE 74 N -0.80 2.05 0.14 5.22 0.40 -0.77 -1.26 117.98 122.97 1ww4 s PHE 74 Ca 0.13 -1.07 -0.01 0.00 -0.60 0.00 0.00 56.93 55.38 1ww4 s PHE 74 Cb -0.11 -1.51 0.00 0.00 0.51 0.00 0.00 43.02 41.92 1ww4 s PHE 74 CO 0.02 -0.58 0.20 -1.71 0.70 0.00 0.00 175.22 173.86 1ww4 n ASN 75 N 4.52 -0.57 -3.78 1.36 2.85 -0.95 -1.12 115.26 117.58 1ww4 n ASN 75 Ca -0.18 -1.74 -0.08 0.00 -0.11 0.00 0.00 54.58 52.47 1ww4 n ASN 75 Cb 0.51 1.05 -0.03 0.00 1.24 0.00 0.00 39.78 42.54 1ww4 n ASN 75 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1ww4 s SER 76 N -1.85 -0.29 -0.30 1.20 0.01 -1.26 -1.31 113.70 109.89 1ww4 s SER 76 Ca 0.11 -0.52 -0.26 0.00 1.31 0.00 0.00 55.95 56.59 1ww4 s SER 76 Cb -0.01 0.67 0.20 0.00 0.21 0.00 0.00 66.02 67.09 1ww4 s SER 76 CO 0.08 -1.21 1.46 0.00 0.41 0.00 0.00 173.24 173.97 1ww4 s ARG 77 N -3.89 0.02 0.68 12.44 1.70 -1.12 -2.24 118.95 126.53 1ww4 s ARG 77 Ca 0.10 0.01 -0.11 0.00 -0.47 0.00 0.00 55.73 55.26 1ww4 s ARG 77 Cb -0.04 0.01 0.00 0.00 -0.57 0.00 0.00 34.95 34.35 1ww4 s ARG 77 CO 0.02 -0.00 1.06 -0.65 -1.08 0.00 0.00 175.30 174.65 1ww4 s GLN 78 N -0.29 3.00 0.51 3.89 -1.52 -1.26 -0.15 119.66 123.84 1ww4 s GLN 78 Ca 0.08 0.98 -0.22 0.00 -1.95 0.00 0.00 55.36 54.24 1ww4 s GLN 78 Cb -0.04 -2.00 -0.07 0.00 -0.22 0.00 0.00 33.01 30.69 1ww4 s GLN 78 CO -0.14 -1.05 1.26 -2.30 -0.25 0.00 0.00 175.29 172.81 1ww4 n PRO 79 N -3.00 1.64 -4.24 2.91 -0.02 -1.26 -2.78 135.00 128.24 1ww4 n PRO 79 Ca 0.08 0.60 -0.36 0.00 -2.02 0.00 0.00 63.50 61.80 1ww4 n PRO 79 Cb 0.53 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 1ww4 n PRO 79 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ww4 n ASN 80 N -0.54 -0.64 -4.01 2.55 3.02 -1.26 -4.93 115.26 109.44 1ww4 n ASN 80 Ca 0.10 -1.28 -0.10 0.00 -0.03 0.00 0.00 54.58 53.27 1ww4 n ASN 80 Cb 0.43 -1.65 -0.08 0.00 -0.61 0.00 0.00 39.78 37.87 1ww4 n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ww4 s ALA 81 N -4.11 0.26 0.71 5.41 0.00 -1.12 -5.17 121.76 117.74 1ww4 s ALA 81 Ca 0.15 -1.06 -0.11 0.00 0.00 0.00 0.00 51.96 50.95 1ww4 s ALA 81 Cb -0.08 0.84 0.02 0.00 0.00 0.00 0.00 23.12 23.90 1ww4 s ALA 81 CO 0.99 -0.59 1.07 -1.25 0.00 0.00 0.00 175.76 175.98 1ww4 s PRO 82 N -3.99 2.79 0.51 0.00 0.04 -1.26 -4.78 135.00 128.32 1ww4 s PRO 82 Ca 0.19 0.83 -0.22 0.00 0.04 0.00 0.00 61.00 61.84 1ww4 s PRO 82 Cb 0.05 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 1ww4 s PRO 82 CO -0.00 -1.17 1.22 -1.58 0.04 0.00 0.00 177.00 175.51 1ww4 s TRP 83 N -3.10 2.63 0.00 0.56 0.23 -1.26 -4.62 118.94 113.37 1ww4 s TRP 83 Ca 0.58 1.49 0.00 0.00 -2.03 0.00 0.00 56.10 56.15 1ww4 s TRP 83 Cb -0.14 -3.49 0.00 0.00 0.03 0.00 0.00 33.47 29.87 1ww4 s TRP 83 CO 0.55 -1.98 0.00 1.28 0.96 0.00 0.00 176.95 177.76 1ww4 n LEU 84 N -0.88 0.00 -4.63 2.99 4.77 -0.95 -5.00 117.00 113.29 1ww4 n LEU 84 Ca 0.10 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.65 1ww4 n LEU 84 Cb 0.48 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 1ww4 n LEU 84 CO 0.48 0.00 1.47 -0.69 -1.33 0.00 0.00 177.39 177.32 1ww4 s VAL 85 N 2.23 3.50 -0.32 4.08 1.01 -1.26 -4.88 120.40 124.75 1ww4 s VAL 85 Ca 0.00 0.56 -0.10 0.00 0.00 0.00 0.00 61.98 62.44 1ww4 s VAL 85 Cb 0.00 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 1ww4 s VAL 85 CO 0.00 -0.20 0.18 -1.83 0.00 0.00 0.00 175.10 173.25 1ww4 s GLU 86 N 4.85 3.37 0.79 2.72 -1.05 -1.26 -4.69 118.70 123.43 1ww4 s GLU 86 Ca 0.78 -0.70 -0.12 0.00 -0.15 0.00 0.00 54.97 54.78 1ww4 s GLU 86 Cb -0.29 -3.63 0.06 0.00 -0.44 0.00 0.00 34.13 29.84 1ww4 s GLU 86 CO 0.32 -0.43 1.11 -0.65 0.95 0.00 0.00 175.26 176.57 1ww4 s GLN 87 N 1.64 2.16 -0.09 -4.83 -1.52 -0.27 -4.89 119.66 111.86 1ww4 s GLN 87 Ca 0.05 0.46 -0.27 0.00 -1.95 0.00 0.00 55.36 53.64 1ww4 s GLN 87 Cb -0.17 -1.94 0.06 0.00 -0.22 0.00 0.00 33.01 30.74 1ww4 s GLN 87 CO 0.07 -1.53 0.64 -0.98 -0.25 0.00 0.00 175.29 173.24 1ww4 s ARG 88 N -5.30 0.95 -0.16 2.91 1.70 -1.26 -1.84 118.95 115.96 1ww4 s ARG 88 Ca 0.61 0.37 0.02 0.00 -0.47 0.00 0.00 55.73 56.25 1ww4 s ARG 88 Cb -0.13 0.45 0.02 0.00 -0.57 0.00 0.00 34.95 34.72 1ww4 s ARG 88 CO 0.53 -0.26 -0.20 0.08 -1.08 0.00 0.00 175.30 174.36 1ww4 s VAL 89 N -0.85 2.01 0.36 4.99 1.01 -0.18 -4.97 120.40 122.77 1ww4 s VAL 89 Ca -0.09 -0.93 -0.25 0.00 0.00 0.00 0.00 61.98 60.71 1ww4 s VAL 89 Cb -0.02 -1.80 -0.09 0.00 0.00 0.00 0.00 36.38 34.47 1ww4 s VAL 89 CO 0.07 0.54 1.03 -0.44 0.00 0.00 0.00 175.10 176.30 1ww4 s SER 90 N 1.06 6.99 -0.09 3.32 0.01 -1.26 -1.64 113.70 122.09 1ww4 s SER 90 Ca -0.01 2.03 -0.06 0.00 1.31 0.00 0.00 55.95 59.21 1ww4 s SER 90 Cb -0.14 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.52 1ww4 s SER 90 CO -0.07 -0.33 0.13 -3.20 0.41 0.00 0.00 173.24 170.18 1ww4 n ASN 91 N 0.30 -1.18 0.17 2.44 2.85 -0.99 -4.93 115.26 113.93 1ww4 n ASN 91 Ca 0.03 0.67 -0.07 0.00 -0.11 0.00 0.00 54.58 55.10 1ww4 n ASN 91 Cb 0.49 -3.11 -0.03 0.00 1.24 0.00 0.00 39.78 38.36 1ww4 n ASN 91 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1ww4 h VAL 92 N 2.03 0.00 -1.15 3.44 2.07 -1.85 -3.28 116.25 117.51 1ww4 h VAL 92 Ca -0.28 -0.14 0.38 0.00 0.82 0.00 0.00 66.70 67.48 1ww4 h VAL 92 Cb 0.64 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.27 1ww4 h VAL 92 CO 0.00 0.00 0.70 0.00 0.02 0.00 0.00 177.57 178.30 1ww4 h ALA 93 N -1.65 2.36 0.00 1.67 0.00 -1.96 0.27 119.26 119.96 1ww4 h ALA 93 Ca -0.05 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1ww4 h ALA 93 Cb 0.35 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ww4 h ALA 93 CO 0.08 -0.98 -0.04 -0.91 0.00 0.00 0.00 179.25 177.39 1ww4 h ASN 94 N 0.18 0.00 1.35 0.00 -0.26 -1.92 -1.80 115.58 113.13 1ww4 h ASN 94 Ca 0.77 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 56.41 1ww4 h ASN 94 Cb 2.13 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 39.38 1ww4 h ASN 94 CO -0.51 0.04 -0.68 1.56 -1.06 0.00 0.00 177.43 176.79 1ww4 h GLN 95 N 0.00 0.00 -0.50 0.81 1.08 -0.57 -3.28 115.11 112.65 1ww4 h GLN 95 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ww4 h GLN 95 Cb 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1ww4 h GLN 95 CO 0.01 0.37 0.00 1.19 -0.95 0.00 0.00 178.83 179.44 1ww4 n PHE 96 N -3.10 0.66 -1.96 2.96 3.72 -0.70 -4.81 117.46 114.23 1ww4 n PHE 96 Ca -0.00 -0.33 -0.42 0.00 -0.05 0.00 0.00 57.45 56.64 1ww4 n PHE 96 Cb 0.72 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.24 1ww4 n PHE 96 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1ww4 s ILE 97 N -1.34 3.32 0.00 4.37 1.01 -1.09 -1.84 121.20 125.64 1ww4 s ILE 97 Ca 0.36 0.59 0.00 0.00 0.00 0.00 0.00 60.65 61.60 1ww4 s ILE 97 Cb 0.19 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 39.28 1ww4 s ILE 97 CO 0.26 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.78 1ww4 n GLY 98 N 4.07 2.00 0.00 6.18 0.00 -1.26 -5.03 105.19 111.15 1ww4 n GLY 98 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1ww4 n GLY 98 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ww4 n SER 99 N 0.00 0.00 -0.83 1.61 7.64 -0.77 -5.03 113.62 116.25 1ww4 n SER 99 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ww4 n SER 99 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ww4 n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ww4 n GLY 100 N 2.87 0.54 2.36 0.23 0.00 -1.26 -4.55 105.19 105.38 1ww4 n GLY 100 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1ww4 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ww4 n GLY 101 N -0.68 0.48 3.54 -0.02 0.00 -1.26 -5.00 105.19 102.25 1ww4 n GLY 101 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1ww4 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ww4 s LYS 102 N -0.33 0.93 0.07 1.61 -2.85 -1.26 -2.77 119.74 115.13 1ww4 s LYS 102 Ca 0.00 0.28 0.02 0.00 -1.00 0.00 0.00 55.97 55.27 1ww4 s LYS 102 Cb 0.00 0.44 -0.03 0.00 -2.06 0.00 0.00 37.83 36.18 1ww4 s LYS 102 CO 0.00 -0.28 -0.06 0.00 0.10 0.00 0.00 175.35 175.11 1ww4 s ALA 103 N -1.06 0.72 -0.06 0.59 0.00 -0.48 -4.72 121.76 116.76 1ww4 s ALA 103 Ca -0.08 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 50.83 1ww4 s ALA 103 Cb -0.00 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.26 1ww4 s ALA 103 CO 0.07 -0.16 -0.07 1.41 0.00 0.00 0.00 175.76 177.02 1ww4 s MET 104 N -2.82 1.18 -0.13 0.00 0.00 -1.26 -0.63 119.30 115.65 1ww4 s MET 104 Ca 0.01 -0.20 0.02 0.00 0.00 0.00 0.00 55.69 55.52 1ww4 s MET 104 Cb -0.01 -1.14 -0.00 0.00 0.00 0.00 0.00 34.83 33.67 1ww4 s MET 104 CO -0.03 -0.10 -0.19 0.08 0.00 0.00 0.00 175.02 174.78 1ww4 s VAL 105 N 1.06 2.40 -0.03 10.11 1.01 -0.32 0.20 120.40 134.83 1ww4 s VAL 105 Ca -0.08 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.09 1ww4 s VAL 105 Cb -0.14 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 1ww4 s VAL 105 CO -0.01 0.54 -0.24 -0.89 0.00 0.00 0.00 175.10 174.51 1ww4 s THR 106 N 0.57 1.89 -0.19 3.92 2.01 0.14 0.42 115.64 124.40 1ww4 s THR 106 Ca -0.11 -1.01 0.01 0.00 0.31 0.00 0.00 61.69 60.89 1ww4 s THR 106 Cb -0.16 -1.58 0.03 0.00 0.01 0.00 0.00 72.50 70.79 1ww4 s THR 106 CO 0.04 0.53 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.64 1ww4 s VAL 107 N -0.42 1.96 -0.20 3.82 1.01 0.88 0.01 120.40 127.46 1ww4 s VAL 107 Ca 0.05 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 60.91 1ww4 s VAL 107 Cb -0.10 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 1ww4 s VAL 107 CO 0.00 0.40 0.18 -0.36 0.00 0.00 0.00 175.10 175.32 1ww4 s PHE 108 N 1.30 3.40 -0.75 5.22 0.40 0.09 -1.74 117.98 125.90 1ww4 s PHE 108 Ca 0.02 0.37 -0.16 0.00 -0.60 0.00 0.00 56.93 56.56 1ww4 s PHE 108 Cb -0.14 -2.23 0.17 0.00 0.51 0.00 0.00 43.02 41.32 1ww4 s PHE 108 CO -0.11 0.22 0.75 0.34 0.70 0.00 0.00 175.22 177.13 1ww4 s ASP 109 N 0.55 6.54 -0.14 1.36 3.68 -0.99 -0.97 116.67 126.71 1ww4 s ASP 109 Ca 0.10 -2.22 -0.00 0.00 2.13 0.00 0.00 52.55 52.56 1ww4 s ASP 109 Cb -0.12 -2.25 0.11 0.00 -1.45 0.00 0.00 42.92 39.21 1ww4 s ASP 109 CO 0.01 -0.79 1.80 1.41 0.13 0.00 0.00 175.17 177.74 1ww4 n HIS 110 N 4.97 0.72 0.00 -5.34 8.25 0.34 0.23 115.22 124.38 1ww4 n HIS 110 Ca 0.06 -1.29 0.00 0.00 -0.26 0.00 0.00 57.72 56.23 1ww4 n HIS 110 Cb 0.45 -0.64 0.00 0.00 1.12 0.00 0.00 29.99 30.92 1ww4 n HIS 110 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ww4 n GLY 111 N 0.74 0.34 0.94 -1.41 0.00 -1.26 -3.26 105.19 101.29 1ww4 n GLY 111 Ca 0.14 -0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1ww4 n GLY 111 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ww4 n ASP 112 N 1.15 2.92 -3.92 1.61 5.75 -1.26 -4.92 116.55 117.89 1ww4 n ASP 112 Ca 0.00 -1.96 -0.09 0.00 -0.01 0.00 0.00 54.79 52.73 1ww4 n ASP 112 Cb 0.00 -0.03 -0.05 0.00 -1.03 0.00 0.00 41.12 40.01 1ww4 n ASP 112 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1ww4 s LYS 113 N -1.94 1.39 -0.17 0.11 1.02 -1.20 -2.91 119.74 116.03 1ww4 s LYS 113 Ca 0.30 -1.12 0.00 0.00 0.02 0.00 0.00 55.97 55.17 1ww4 s LYS 113 Cb 0.20 0.46 0.04 0.00 -0.52 0.00 0.00 37.83 38.01 1ww4 s LYS 113 CO 0.30 -0.56 -0.09 0.71 -0.92 0.00 0.00 175.35 174.79 1ww4 s TYR 114 N -3.96 2.11 -0.23 3.18 2.02 0.13 -0.51 117.35 120.09 1ww4 s TYR 114 Ca 0.17 -1.32 -0.16 0.00 -0.37 0.00 0.00 57.07 55.39 1ww4 s TYR 114 Cb 0.00 -1.51 -0.04 0.00 -0.40 0.00 0.00 41.96 40.01 1ww4 s TYR 114 CO 0.03 -0.68 0.41 -1.14 -1.57 0.00 0.00 175.55 172.60 1ww4 s GLN 115 N 1.50 4.11 -0.19 -0.62 0.74 -0.14 -2.33 119.66 122.73 1ww4 s GLN 115 Ca 0.01 0.18 -0.05 0.00 0.05 0.00 0.00 55.36 55.54 1ww4 s GLN 115 Cb -0.15 -3.59 -0.03 0.00 1.10 0.00 0.00 33.01 30.34 1ww4 s GLN 115 CO -0.09 -0.16 0.01 0.08 -0.55 0.00 0.00 175.29 174.59 1ww4 s VAL 116 N 1.69 4.13 -0.09 1.34 1.01 -0.84 -0.73 120.40 126.90 1ww4 s VAL 116 Ca 0.18 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.95 1ww4 s VAL 116 Cb -0.15 -2.86 -0.00 0.00 0.00 0.00 0.00 36.38 33.36 1ww4 s VAL 116 CO 0.09 0.44 -0.24 -0.69 0.00 0.00 0.00 175.10 174.69 1ww4 s VAL 117 N 0.82 2.07 -0.51 2.92 1.01 0.10 -1.16 120.40 125.65 1ww4 s VAL 117 Ca 0.01 -1.02 -0.11 0.00 0.00 0.00 0.00 61.98 60.86 1ww4 s VAL 117 Cb -0.14 -1.78 0.13 0.00 0.00 0.00 0.00 36.38 34.59 1ww4 s VAL 117 CO 0.02 0.56 0.40 -0.63 0.00 0.00 0.00 175.10 175.45 1ww4 s ILE 118 N 0.26 4.47 0.00 2.22 -1.09 0.56 0.24 121.20 127.87 1ww4 s ILE 118 Ca -0.17 -1.80 0.00 0.00 -2.23 0.00 0.00 60.65 56.45 1ww4 s ILE 118 Cb -0.17 -3.92 0.00 0.00 -1.58 0.00 0.00 42.46 36.79 1ww4 s ILE 118 CO 0.08 -0.81 0.00 0.59 -1.23 0.00 0.00 174.94 173.57 1ww4 n ASN 119 N 4.89 0.00 -0.00 3.58 5.03 0.13 -2.32 115.26 126.56 1ww4 n ASN 119 Ca -0.08 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.38 1ww4 n ASN 119 Cb 0.41 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 39.17 1ww4 n ASN 119 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1ww4 n GLU 120 N 0.00 5.57 -3.35 3.52 1.02 -1.26 -4.93 120.64 121.20 1ww4 n GLU 120 Ca 0.00 -0.09 -0.39 0.00 -0.02 0.00 0.00 57.16 56.67 1ww4 n GLU 120 Cb 0.00 -0.60 -0.08 0.00 -0.02 0.00 0.00 31.44 30.74 1ww4 n GLU 120 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1ww4 s LYS 121 N -0.87 4.13 0.04 3.49 2.20 -0.98 -5.05 119.74 122.70 1ww4 s LYS 121 Ca 0.00 0.21 -0.30 0.00 -0.36 0.00 0.00 55.97 55.52 1ww4 s LYS 121 Cb 0.00 -3.58 -0.05 0.00 -1.51 0.00 0.00 37.83 32.70 1ww4 s LYS 121 CO 0.01 -0.14 1.14 0.99 -0.36 0.00 0.00 175.35 177.00 1ww4 s THR 122 N 1.63 4.27 -0.11 3.43 2.01 -1.26 -0.32 115.64 125.29 1ww4 s THR 122 Ca 0.19 1.63 0.16 0.00 0.31 0.00 0.00 61.69 63.98 1ww4 s THR 122 Cb -0.15 -4.04 -0.24 0.00 0.01 0.00 0.00 72.50 68.08 1ww4 s THR 122 CO 0.09 0.12 0.20 1.33 -0.69 0.00 0.00 174.62 175.66 1ww4 n VAL 123 N 3.95 0.67 -3.55 3.82 0.24 -0.31 -4.93 118.33 118.22 1ww4 n VAL 123 Ca 0.08 -0.58 -0.12 0.00 -2.04 0.00 0.00 64.34 61.68 1ww4 n VAL 123 Cb 0.48 -0.29 -0.05 0.00 -1.47 0.00 0.00 33.84 32.51 1ww4 n VAL 123 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 1ww4 s ILE 124 N -2.75 0.00 -0.52 1.34 2.07 -1.23 -4.98 121.20 115.13 1ww4 s ILE 124 Ca -0.08 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.19 1ww4 s ILE 124 Cb 0.08 -1.00 0.44 0.00 0.13 0.00 0.00 42.46 42.10 1ww4 s ILE 124 CO 0.71 0.00 1.58 0.00 -1.91 0.00 0.00 174.94 175.32 1ww4 n GLN 125 N 0.56 3.16 -0.46 3.50 1.13 -1.26 -1.99 117.38 122.00 1ww4 n GLN 125 Ca -0.12 -3.83 -0.18 0.00 -1.94 0.00 0.00 57.00 50.93 1ww4 n GLN 125 Cb 0.59 -2.28 -0.02 0.00 0.11 0.00 0.00 30.24 28.64 1ww4 n GLN 125 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 1ww4 n TYR 126 N -0.72 0.16 -3.49 1.08 9.36 -0.98 -4.53 117.16 118.04 1ww4 n TYR 126 Ca 0.51 0.33 -0.37 0.00 3.32 0.00 0.00 57.90 61.68 1ww4 n TYR 126 Cb 0.72 -0.64 -0.08 0.00 -0.63 0.00 0.00 39.34 38.70 1ww4 n TYR 126 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1ww4 s THR 127 N -0.03 5.26 -0.04 2.97 2.01 -1.26 -0.69 115.64 123.85 1ww4 s THR 127 Ca 0.27 0.53 -0.30 0.00 0.31 0.00 0.00 61.69 62.50 1ww4 s THR 127 Cb -0.38 -3.65 -0.08 0.00 0.01 0.00 0.00 72.50 68.40 1ww4 s THR 127 CO 0.18 0.29 2.04 0.29 -0.69 0.00 0.00 174.62 176.73 1ww4 n LYS 128 N 4.34 2.57 0.08 4.92 5.02 -1.14 -4.84 118.16 129.11 1ww4 n LYS 128 Ca -0.11 0.89 -0.02 0.00 -2.02 0.00 0.00 58.31 57.06 1ww4 n LYS 128 Cb 0.51 -3.04 -0.05 0.00 -0.02 0.00 0.00 35.03 32.43 1ww4 n LYS 128 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1ww4 h GLN 129 N 11.73 0.00 -5.29 1.97 4.20 -1.93 -3.45 115.11 122.35 1ww4 h GLN 129 Ca -0.47 0.00 -0.43 0.00 0.06 0.00 0.00 58.65 57.80 1ww4 h GLN 129 Cb 1.24 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 28.78 1ww4 h GLN 129 CO 0.95 0.60 -0.79 0.42 -0.67 0.00 0.00 178.83 179.33 1ww4 s ILE 130 N -2.85 1.09 0.37 2.54 1.01 -1.26 -5.08 121.20 117.01 1ww4 s ILE 130 Ca 0.01 -1.02 0.08 0.00 0.00 0.00 0.00 60.65 59.72 1ww4 s ILE 130 Cb 0.08 -1.00 -0.05 0.00 0.01 0.00 0.00 42.46 41.50 1ww4 s ILE 130 CO 0.79 -0.03 0.09 -0.44 0.00 0.00 0.00 174.94 175.35 1ww4 s SER 131 N -1.20 4.31 0.00 3.58 0.01 -1.26 -4.94 113.70 114.20 1ww4 s SER 131 Ca 0.01 -1.02 0.00 0.00 1.31 0.00 0.00 55.95 56.24 1ww4 s SER 131 Cb -0.08 -0.53 0.00 0.00 0.21 0.00 0.00 66.02 65.62 1ww4 s SER 131 CO 0.01 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 173.90 1ww4 n GLY 132 N -1.08 1.01 3.89 3.44 0.00 -1.26 -5.07 105.19 106.12 1ww4 n GLY 132 Ca -0.03 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.68 1ww4 n GLY 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ww4 s THR 133 N -1.11 5.44 -0.15 2.61 -4.23 -1.26 -4.89 115.64 112.04 1ww4 s THR 133 Ca 0.00 -0.03 -0.26 0.00 -1.18 0.00 0.00 61.69 60.22 1ww4 s THR 133 Cb 0.00 -3.48 -0.01 0.00 1.34 0.00 0.00 72.50 70.35 1ww4 s THR 133 CO 0.00 0.43 0.88 -0.89 -0.54 0.00 0.00 174.62 174.50 1ww4 s THR 134 N -1.21 4.85 -0.29 3.99 2.01 -0.09 -4.31 115.64 120.59 1ww4 s THR 134 Ca 0.23 1.74 0.05 0.00 0.31 0.00 0.00 61.69 64.01 1ww4 s THR 134 Cb -0.12 -4.18 -0.03 0.00 0.01 0.00 0.00 72.50 68.17 1ww4 s THR 134 CO 0.13 0.02 0.28 -1.54 -0.69 0.00 0.00 174.62 172.82 1ww4 n SER 135 N 5.19 0.44 -3.46 3.53 3.41 -0.70 -0.46 113.62 121.56 1ww4 n SER 135 Ca 0.06 -0.72 -0.14 0.00 -0.26 0.00 0.00 58.87 57.80 1ww4 n SER 135 Cb 0.49 0.82 -0.04 0.00 -0.26 0.00 0.00 64.21 65.22 1ww4 n SER 135 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ww4 s SER 136 N -1.24 -0.59 0.05 4.04 1.04 -1.13 -1.21 113.70 114.65 1ww4 s SER 136 Ca 0.02 0.26 0.03 0.00 0.48 0.00 0.00 55.95 56.75 1ww4 s SER 136 Cb 0.04 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.70 1ww4 s SER 136 CO 0.16 -0.83 -0.10 -0.76 0.98 0.00 0.00 173.24 172.69 1ww4 s LEU 137 N -2.16 2.24 0.06 2.42 1.43 -0.83 -0.63 118.68 121.22 1ww4 s LEU 137 Ca -0.04 -0.54 0.04 0.00 -1.03 0.00 0.00 54.13 52.57 1ww4 s LEU 137 Cb -0.01 -0.31 -0.03 0.00 0.03 0.00 0.00 46.19 45.87 1ww4 s LEU 137 CO -0.04 -0.13 -0.12 -0.94 0.23 0.00 0.00 176.35 175.34 1ww4 s SER 138 N -1.51 1.45 -0.30 2.29 1.04 -0.75 -1.01 113.70 114.92 1ww4 s SER 138 Ca -0.06 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.80 1ww4 s SER 138 Cb -0.09 -0.03 0.09 0.00 0.10 0.00 0.00 66.02 66.08 1ww4 s SER 138 CO 0.01 -0.09 0.06 -0.47 0.98 0.00 0.00 173.24 173.72 1ww4 s TYR 139 N -1.24 2.25 0.04 5.02 5.04 -0.71 -1.54 117.35 126.22 1ww4 s TYR 139 Ca -0.04 -1.97 0.02 0.00 -2.44 0.00 0.00 57.07 52.65 1ww4 s TYR 139 Cb -0.10 -1.92 -0.04 0.00 0.35 0.00 0.00 41.96 40.25 1ww4 s TYR 139 CO 0.02 -0.86 0.03 -0.80 -1.34 0.00 0.00 175.55 172.60 1ww4 s ASN 140 N 1.43 5.27 0.08 4.32 0.02 -0.46 0.16 114.94 125.76 1ww4 s ASN 140 Ca 0.07 -0.02 -0.03 0.00 -1.02 0.00 0.00 52.86 51.85 1ww4 s ASN 140 Cb -0.18 -1.38 -0.03 0.00 0.02 0.00 0.00 41.25 39.68 1ww4 s ASN 140 CO -0.17 0.23 0.06 -0.44 0.02 0.00 0.00 177.10 176.81 1ww4 s SER 141 N -1.94 0.33 -0.21 -1.22 0.01 -1.26 -0.67 113.70 108.75 1ww4 s SER 141 Ca 0.24 -0.95 -0.16 0.00 1.31 0.00 0.00 55.95 56.39 1ww4 s SER 141 Cb -0.12 0.27 -0.04 0.00 0.21 0.00 0.00 66.02 66.34 1ww4 s SER 141 CO 0.15 -0.68 0.40 -0.89 0.41 0.00 0.00 173.24 172.64 1ww4 s THR 142 N -3.94 5.19 -0.12 1.44 2.01 -1.09 -4.92 115.64 114.22 1ww4 s THR 142 Ca 0.11 0.71 -0.10 0.00 0.31 0.00 0.00 61.69 62.71 1ww4 s THR 142 Cb 0.07 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1ww4 s THR 142 CO -0.07 0.24 0.47 1.21 -0.69 0.00 0.00 174.62 175.78 1ww4 n GLU 143 N 4.55 0.00 -1.09 4.92 2.13 -1.26 -0.97 120.64 128.92 1ww4 n GLU 143 Ca -0.08 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.69 1ww4 n GLU 143 Cb 0.51 -0.35 -0.02 0.00 0.27 0.00 0.00 31.44 31.85 1ww4 n GLU 143 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ww4 n GLY 144 N 1.55 0.51 0.82 8.31 0.00 -1.26 -4.80 105.19 110.32 1ww4 n GLY 144 Ca 0.11 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.19 1ww4 n GLY 144 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ww4 n THR 145 N -1.93 1.36 -2.56 2.61 -2.24 -0.14 -4.93 114.28 106.45 1ww4 n THR 145 Ca -0.05 -2.26 -0.34 0.00 -2.27 0.00 0.00 64.05 59.13 1ww4 n THR 145 Cb 0.50 0.19 -0.04 0.00 -2.10 0.00 0.00 70.33 68.88 1ww4 n THR 145 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ww4 s SER 146 N -2.69 6.41 0.00 3.42 0.15 -1.25 -4.57 113.70 115.18 1ww4 s SER 146 Ca 0.34 1.88 0.25 0.00 0.70 0.00 0.00 55.95 59.12 1ww4 s SER 146 Cb 0.35 -2.55 0.58 0.00 -1.71 0.00 0.00 66.02 62.69 1ww4 s SER 146 CO -0.09 -0.73 1.47 2.30 1.20 0.00 0.00 173.24 177.39 1ww4 n ILE 147 N -0.98 0.00 -4.23 6.45 -5.35 -1.26 -4.70 119.36 109.28 1ww4 n ILE 147 Ca 0.09 -0.01 -0.24 0.00 -0.27 0.00 0.00 62.75 62.32 1ww4 n ILE 147 Cb 0.53 0.20 -0.08 0.00 -1.74 0.00 0.00 39.64 38.55 1ww4 n ILE 147 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1ww4 s PHE 148 N -2.96 2.60 1.10 4.28 0.08 -1.26 -1.82 117.98 119.99 1ww4 s PHE 148 Ca 0.12 -0.49 -0.12 0.00 0.12 0.00 0.00 56.93 56.57 1ww4 s PHE 148 Cb 0.18 -1.69 0.23 0.00 -0.57 0.00 0.00 43.02 41.17 1ww4 s PHE 148 CO 0.67 0.35 0.99 -1.13 -0.10 0.00 0.00 175.22 176.00 1ww4 n SER 149 N -1.09 -1.18 0.21 1.36 3.41 -1.26 -4.89 113.62 110.18 1ww4 n SER 149 Ca -0.03 0.02 0.06 0.00 -0.26 0.00 0.00 58.87 58.66 1ww4 n SER 149 Cb 0.63 -1.31 0.47 0.00 -0.26 0.00 0.00 64.21 63.74 1ww4 n SER 149 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1ww4 h THR 150 N -2.41 0.96 -3.29 6.66 1.35 -1.98 -3.40 112.91 110.79 1ww4 h THR 150 Ca -0.55 -1.09 -0.67 0.00 -0.55 0.00 0.00 66.41 63.54 1ww4 h THR 150 Cb 1.31 1.63 -0.32 0.00 -1.73 0.00 0.00 68.15 69.04 1ww4 h THR 150 CO 0.46 0.28 -0.85 -0.69 -0.25 0.00 0.00 175.52 174.47 1ww4 s VAL 151 N -4.07 2.27 -0.14 6.82 1.01 -1.26 -0.80 120.40 124.23 1ww4 s VAL 151 Ca -0.02 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.04 1ww4 s VAL 151 Cb 0.13 -1.90 -0.00 0.00 0.00 0.00 0.00 36.38 34.60 1ww4 s VAL 151 CO 0.67 0.55 -0.16 -0.69 0.00 0.00 0.00 175.10 175.47 1ww4 s VAL 152 N 0.55 2.63 0.30 2.92 1.01 -0.27 -4.66 120.40 122.88 1ww4 s VAL 152 Ca -0.13 -0.79 -0.23 0.00 0.00 0.00 0.00 61.98 60.83 1ww4 s VAL 152 Cb -0.17 -2.09 -0.09 0.00 0.00 0.00 0.00 36.38 34.03 1ww4 s VAL 152 CO 0.04 0.52 0.87 -1.61 0.00 0.00 0.00 175.10 174.92 1ww4 s GLU 153 N 0.64 4.43 -0.06 2.72 2.02 -0.48 -0.93 118.70 127.04 1ww4 s GLU 153 Ca -0.09 1.14 0.01 0.00 0.02 0.00 0.00 54.97 56.06 1ww4 s GLU 153 Cb -0.16 -2.76 0.02 0.00 0.10 0.00 0.00 34.13 31.33 1ww4 s GLU 153 CO 0.02 0.28 -0.06 0.00 0.02 0.00 0.00 175.26 175.52 1ww4 s ALA 154 N -1.65 0.89 -0.11 5.21 0.00 0.84 0.51 121.76 127.44 1ww4 s ALA 154 Ca 0.49 -0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.28 1ww4 s ALA 154 Cb -0.17 -0.52 -0.00 0.00 0.00 0.00 0.00 23.12 22.43 1ww4 s ALA 154 CO 0.22 -0.04 -0.20 0.08 0.00 0.00 0.00 175.76 175.81 1ww4 s VAL 155 N 0.98 2.37 -0.06 0.00 1.01 -0.72 0.00 120.40 123.99 1ww4 s VAL 155 Ca -0.10 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.02 1ww4 s VAL 155 Cb -0.14 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 1ww4 s VAL 155 CO 0.00 0.55 -0.17 0.42 0.00 0.00 0.00 175.10 175.89 1ww4 s THR 156 N 0.41 2.78 -0.33 3.92 -4.23 -0.12 -1.12 115.64 116.96 1ww4 s THR 156 Ca -0.15 -0.82 0.01 0.00 -1.18 0.00 0.00 61.69 59.56 1ww4 s THR 156 Cb -0.17 -2.07 0.09 0.00 1.34 0.00 0.00 72.50 71.68 1ww4 s THR 156 CO 0.07 0.58 0.04 -0.31 -0.54 0.00 0.00 174.62 174.46 1ww4 s TYR 157 N -0.51 3.55 0.27 3.99 2.02 -0.07 -1.83 117.35 124.77 1ww4 s TYR 157 Ca 0.07 -2.56 0.12 0.00 -0.37 0.00 0.00 57.07 54.33 1ww4 s TYR 157 Cb -0.12 -2.66 -0.05 0.00 -0.40 0.00 0.00 41.96 38.73 1ww4 s TYR 157 CO 0.01 -0.92 -0.20 0.95 -1.57 0.00 0.00 175.55 173.82 1ww4 s THR 158 N 1.05 2.47 0.00 -0.71 -4.23 -0.89 -0.77 115.64 112.55 1ww4 s THR 158 Ca 0.04 -2.36 0.00 0.00 -1.18 0.00 0.00 61.69 58.18 1ww4 s THR 158 Cb -0.20 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.36 1ww4 s THR 158 CO -0.05 -0.37 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 1ww4 n GLY 159 N -0.52 0.78 0.00 3.99 0.00 -1.26 -0.56 105.19 107.62 1ww4 n GLY 159 Ca -0.06 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1ww4 n GLY 159 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ww4 n LEU 160 N 0.00 0.20 0.00 0.99 4.77 -1.26 -4.04 117.00 117.65 1ww4 n LEU 160 Ca 0.00 0.16 0.01 0.00 -0.03 0.00 0.00 56.01 56.15 1ww4 n LEU 160 Cb 0.00 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 1ww4 n LEU 160 CO 0.00 0.00 0.32 0.00 -1.33 0.00 0.00 177.39 176.38