#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 -1.03 4.28 5.66 -1.26 -5.16 114.28 116.77 1ww4 n THR 3 Ca 0.00 -1.41 -0.29 0.00 -3.05 0.00 0.00 64.05 59.30 1ww4 n THR 3 Cb 0.00 1.45 0.17 0.00 -1.55 0.00 0.00 70.33 70.40 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 2.82 0.04 1.09 0.01 -1.26 -4.90 113.70 110.32 1ww4 s SER 4 Ca 0.23 1.52 0.02 0.00 1.31 0.00 0.00 55.95 59.03 1ww4 s SER 4 Cb 0.29 -2.19 -0.02 0.00 0.21 0.00 0.00 66.02 64.31 1ww4 s SER 4 CO -0.08 -3.05 -0.08 0.00 0.41 0.00 0.00 173.24 170.43 1ww4 s ALA 5 N -2.82 0.60 -0.18 1.44 0.00 0.47 -5.00 121.76 116.27 1ww4 s ALA 5 Ca 0.65 -0.71 -0.01 0.00 0.00 0.00 0.00 51.96 51.89 1ww4 s ALA 5 Cb -0.20 0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.93 1ww4 s ALA 5 CO 0.59 0.01 -0.13 0.08 0.00 0.00 0.00 175.76 176.31 1ww4 s VAL 6 N -1.19 2.78 -0.06 0.00 1.01 -1.26 -2.02 120.40 119.65 1ww4 s VAL 6 Ca -0.08 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.24 1ww4 s VAL 6 Cb -0.09 -2.21 -0.00 0.00 0.00 0.00 0.00 36.38 34.08 1ww4 s VAL 6 CO 0.00 0.49 -0.21 0.20 0.00 0.00 0.00 175.10 175.58 1ww4 s ASN 7 N 1.13 2.66 -0.15 3.32 0.01 -0.84 -4.98 114.94 116.09 1ww4 s ASN 7 Ca 0.01 -0.45 -0.01 0.00 -0.71 0.00 0.00 52.86 51.69 1ww4 s ASN 7 Cb -0.14 -0.89 -0.01 0.00 0.41 0.00 0.00 41.25 40.62 1ww4 s ASN 7 CO -0.04 0.18 -0.10 -0.63 -1.51 0.00 0.00 177.10 175.00 1ww4 s ILE 8 N 0.09 3.21 0.01 0.60 1.01 -1.26 -0.94 121.20 123.92 1ww4 s ILE 8 Ca -0.08 -0.59 0.05 0.00 0.00 0.00 0.00 60.65 60.03 1ww4 s ILE 8 Cb -0.14 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 39.93 1ww4 s ILE 8 CO 0.04 0.50 -0.14 -0.31 0.00 0.00 0.00 174.94 175.03 1ww4 s TYR 9 N 0.60 1.28 -0.31 3.97 2.02 0.91 -4.99 117.35 120.84 1ww4 s TYR 9 Ca -0.06 -0.29 -0.09 0.00 -0.37 0.00 0.00 57.07 56.26 1ww4 s TYR 9 Cb -0.15 -0.80 -0.00 0.00 -0.40 0.00 0.00 41.96 40.61 1ww4 s TYR 9 CO 0.03 0.01 0.13 -0.80 -1.57 0.00 0.00 175.55 173.35 1ww4 s ASN 10 N -0.69 5.43 -0.30 2.29 0.01 -1.26 -0.26 114.94 120.16 1ww4 s ASN 10 Ca 0.04 -0.58 -0.07 0.00 -0.71 0.00 0.00 52.86 51.54 1ww4 s ASN 10 Cb -0.07 -1.97 0.01 0.00 0.41 0.00 0.00 41.25 39.64 1ww4 s ASN 10 CO 0.00 -0.20 0.09 -0.63 -1.51 0.00 0.00 177.10 174.86 1ww4 s ILE 11 N 1.58 3.99 0.32 0.60 1.01 0.18 -4.96 121.20 123.92 1ww4 s ILE 11 Ca 0.04 -0.75 -0.26 0.00 0.00 0.00 0.00 60.65 59.68 1ww4 s ILE 11 Cb -0.17 -3.09 -0.10 0.00 0.01 0.00 0.00 42.46 39.11 1ww4 s ILE 11 CO 0.05 0.03 0.93 -0.44 0.00 0.00 0.00 174.94 175.52 1ww4 s SER 12 N 1.49 7.34 0.19 3.58 0.01 -1.26 -1.17 113.70 123.87 1ww4 s SER 12 Ca 0.02 1.82 -0.33 0.00 1.31 0.00 0.00 55.95 58.78 1ww4 s SER 12 Cb -0.18 -2.57 -0.15 0.00 0.21 0.00 0.00 66.02 63.33 1ww4 s SER 12 CO 0.03 -0.06 1.25 0.00 0.41 0.00 0.00 173.24 174.87 1ww4 n ALA 13 N 0.59 -0.20 -0.57 1.44 0.00 -0.31 -0.19 120.51 121.26 1ww4 n ALA 13 Ca 0.02 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1ww4 n ALA 13 Cb 0.50 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 2.11 1.33 4.00 0.00 0.00 0.32 -4.96 105.19 107.99 1ww4 n GLY 14 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.37 4.39 -0.06 4.61 0.00 0.73 -4.94 121.76 123.12 1ww4 s ALA 15 Ca 0.00 -1.58 -0.02 0.00 0.00 0.00 0.00 51.96 50.36 1ww4 s ALA 15 Cb 0.00 -1.71 0.04 0.00 0.00 0.00 0.00 23.12 21.45 1ww4 s ALA 15 CO 0.00 -0.30 0.12 0.45 0.00 0.00 0.00 175.76 176.02 1ww4 s SER 16 N -4.33 0.05 0.07 0.00 0.15 -1.26 -2.16 113.70 106.22 1ww4 s SER 16 Ca 0.54 0.23 0.07 0.00 0.70 0.00 0.00 55.95 57.49 1ww4 s SER 16 Cb -0.10 0.12 -0.04 0.00 -1.71 0.00 0.00 66.02 64.30 1ww4 s SER 16 CO 0.33 -0.16 -0.16 0.68 1.20 0.00 0.00 173.24 175.14 1ww4 s VAL 17 N 1.28 2.98 -0.22 4.45 -7.23 -0.11 -4.96 120.40 116.60 1ww4 s VAL 17 Ca -0.08 -1.26 -0.16 0.00 -1.81 0.00 0.00 61.98 58.67 1ww4 s VAL 17 Cb -0.12 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 1ww4 s VAL 17 CO -0.05 0.23 0.41 -1.81 -0.31 0.00 0.00 175.10 173.57 1ww4 s ASP 18 N -1.79 6.42 0.30 4.85 1.01 -1.26 -1.87 116.67 124.32 1ww4 s ASP 18 Ca 0.17 0.49 -0.29 0.00 0.71 0.00 0.00 52.55 53.63 1ww4 s ASP 18 Cb -0.11 -2.24 -0.10 0.00 1.01 0.00 0.00 42.92 41.49 1ww4 s ASP 18 CO 0.08 -0.12 1.29 -0.76 0.21 0.00 0.00 175.17 175.88 1ww4 s LEU 19 N 1.53 4.44 0.49 1.23 1.43 0.02 -4.89 118.68 122.93 1ww4 s LEU 19 Ca 0.19 2.58 0.28 0.00 -1.03 0.00 0.00 54.13 56.15 1ww4 s LEU 19 Cb -0.15 -3.64 1.02 0.00 0.03 0.00 0.00 46.19 43.45 1ww4 s LEU 19 CO 0.08 -0.49 1.86 0.00 0.23 0.00 0.00 176.35 178.03 1ww4 h ALA 20 N 3.90 0.99 -3.43 4.21 0.00 -1.96 -3.42 119.26 119.56 1ww4 h ALA 20 Ca -0.48 -0.07 -0.34 0.00 0.00 0.00 0.00 54.91 54.02 1ww4 h ALA 20 Cb 1.22 -0.01 -0.36 0.00 0.00 0.00 0.00 17.79 18.64 1ww4 h ALA 20 CO 0.69 0.10 -0.74 0.00 0.00 0.00 0.00 179.25 179.30 1ww4 s ALA 21 N -3.56 0.21 0.59 0.00 0.00 -1.26 -5.14 121.76 112.60 1ww4 s ALA 21 Ca 0.02 0.22 -0.18 0.00 0.00 0.00 0.00 51.96 52.01 1ww4 s ALA 21 Cb 0.09 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1ww4 s ALA 21 CO 0.60 -0.24 1.16 -1.25 0.00 0.00 0.00 175.76 176.03 1ww4 s PRO 22 N 1.47 3.07 -0.38 0.00 0.04 -1.26 -4.97 135.00 132.97 1ww4 s PRO 22 Ca -0.04 1.69 -0.16 0.00 0.04 0.00 0.00 61.00 62.53 1ww4 s PRO 22 Cb -0.13 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1ww4 s PRO 22 CO -0.03 -1.09 0.38 0.08 0.04 0.00 0.00 177.00 176.38 1ww4 s VAL 23 N -1.77 5.15 0.18 -0.36 1.01 0.04 -4.91 120.40 119.75 1ww4 s VAL 23 Ca 0.74 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1ww4 s VAL 23 Cb -0.26 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1ww4 s VAL 23 CO 0.32 -0.24 0.03 1.07 0.00 0.00 0.00 175.10 176.29 1ww4 n THR 24 N 5.30 0.00 -1.65 3.92 5.66 -1.26 -1.18 114.28 125.07 1ww4 n THR 24 Ca -0.09 -0.83 -0.50 0.00 -3.05 0.00 0.00 64.05 59.58 1ww4 n THR 24 Cb 0.48 0.05 -0.05 0.00 -1.55 0.00 0.00 70.33 69.26 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 -0.57 0.12 0.00 1.09 -1.04 -1.26 -0.78 114.28 111.84 1ww4 n THR 25 Ca -0.06 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1ww4 n THR 25 Cb 0.23 -1.26 0.00 0.00 -1.82 0.00 0.00 70.33 67.48 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 3.31 1.97 3.91 3.41 0.00 0.43 -4.63 105.19 113.59 1ww4 n GLY 26 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.98 5.14 0.10 1.61 1.01 0.04 -4.55 116.67 118.05 1ww4 s ASP 27 Ca 0.00 0.77 0.07 0.00 0.71 0.00 0.00 52.55 54.10 1ww4 s ASP 27 Cb 0.00 -1.53 -0.03 0.00 1.01 0.00 0.00 42.92 42.37 1ww4 s ASP 27 CO 0.00 -1.44 -0.17 -0.63 0.21 0.00 0.00 175.17 173.14 1ww4 s ILE 28 N -3.27 1.44 -0.03 0.77 1.01 0.27 -2.22 121.20 119.16 1ww4 s ILE 28 Ca 0.58 -1.55 -0.01 0.00 0.00 0.00 0.00 60.65 59.67 1ww4 s ILE 28 Cb -0.11 -1.42 0.03 0.00 0.01 0.00 0.00 42.46 40.97 1ww4 s ILE 28 CO 0.48 -0.23 0.05 -0.69 0.00 0.00 0.00 174.94 174.55 1ww4 s VAL 29 N -1.52 -0.07 0.02 2.92 1.01 -0.77 -0.82 120.40 121.16 1ww4 s VAL 29 Ca 0.05 0.34 0.08 0.00 0.00 0.00 0.00 61.98 62.46 1ww4 s VAL 29 Cb -0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.13 1ww4 s VAL 29 CO 0.04 0.15 -0.25 -0.89 0.00 0.00 0.00 175.10 174.14 1ww4 s THR 30 N 1.76 2.03 -0.17 3.92 2.01 -0.14 -0.47 115.64 124.59 1ww4 s THR 30 Ca -0.00 -1.23 -0.02 0.00 0.31 0.00 0.00 61.69 60.74 1ww4 s THR 30 Cb -0.12 -1.72 -0.02 0.00 0.01 0.00 0.00 72.50 70.66 1ww4 s THR 30 CO -0.03 0.44 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.90 1ww4 s PHE 31 N -0.71 2.91 -0.19 4.92 0.08 0.19 -1.69 117.98 123.48 1ww4 s PHE 31 Ca 0.10 -0.67 -0.04 0.00 0.12 0.00 0.00 56.93 56.45 1ww4 s PHE 31 Cb -0.10 -1.95 -0.02 0.00 -0.57 0.00 0.00 43.02 40.38 1ww4 s PHE 31 CO 0.01 -0.28 -0.04 -0.06 -0.10 0.00 0.00 175.22 174.75 1ww4 s PHE 32 N 0.72 2.98 -0.09 0.36 0.08 0.31 -1.13 117.98 121.21 1ww4 s PHE 32 Ca -0.04 -0.63 0.02 0.00 0.12 0.00 0.00 56.93 56.41 1ww4 s PHE 32 Cb -0.15 -2.04 -0.02 0.00 -0.57 0.00 0.00 43.02 40.24 1ww4 s PHE 32 CO 0.02 -0.32 -0.16 0.45 -0.10 0.00 0.00 175.22 175.11 1ww4 s SER 33 N 1.00 3.78 -0.19 1.36 0.15 0.05 -0.72 113.70 119.15 1ww4 s SER 33 Ca 0.01 -0.34 0.14 0.00 0.70 0.00 0.00 55.95 56.45 1ww4 s SER 33 Cb -0.15 -1.27 0.72 0.00 -1.71 0.00 0.00 66.02 63.61 1ww4 s SER 33 CO 0.01 0.23 1.60 -1.54 1.20 0.00 0.00 173.24 174.74 1ww4 n SER 34 N 3.11 5.04 -3.62 5.45 3.41 -1.26 -1.69 113.62 124.06 1ww4 n SER 34 Ca -0.18 -2.73 -0.12 0.00 -0.26 0.00 0.00 58.87 55.59 1ww4 n SER 34 Cb 0.52 -0.64 -0.05 0.00 -0.26 0.00 0.00 64.21 63.78 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 -2.39 -1.09 -0.13 7.33 0.00 -1.06 -4.64 121.76 119.79 1ww4 s ALA 35 Ca 0.48 0.25 -0.05 0.00 0.00 0.00 0.00 51.96 52.64 1ww4 s ALA 35 Cb 0.35 0.52 0.06 0.00 0.00 0.00 0.00 23.12 24.06 1ww4 s ALA 35 CO 0.16 -0.56 0.26 -1.17 0.00 0.00 0.00 175.76 174.45 1ww4 s LEU 36 N -2.35 -0.25 -0.45 0.00 2.96 -1.24 -4.15 118.68 113.21 1ww4 s LEU 36 Ca -0.02 0.58 0.02 0.00 -0.22 0.00 0.00 54.13 54.50 1ww4 s LEU 36 Cb 0.00 0.69 0.13 0.00 0.50 0.00 0.00 46.19 47.52 1ww4 s LEU 36 CO -0.07 -0.24 0.23 0.20 -1.32 0.00 0.00 176.35 175.15 1ww4 s ASN 37 N 2.34 3.88 0.00 3.68 0.02 -0.56 -4.82 114.94 119.49 1ww4 s ASN 37 Ca 0.01 -2.63 0.29 0.00 -1.02 0.00 0.00 52.86 49.51 1ww4 s ASN 37 Cb -0.12 -1.19 1.29 0.00 0.02 0.00 0.00 41.25 41.25 1ww4 s ASN 37 CO -0.08 -0.27 1.93 0.18 0.02 0.00 0.00 177.10 178.87 1ww4 n LEU 38 N 3.56 0.10 -2.46 0.60 7.99 -1.26 -3.55 117.00 121.98 1ww4 n LEU 38 Ca 0.07 0.31 -0.21 0.00 -0.01 0.00 0.00 56.01 56.17 1ww4 n LEU 38 Cb 0.35 -0.35 0.01 0.00 -0.11 0.00 0.00 43.42 43.31 1ww4 n LEU 38 CO 0.26 0.02 0.11 -1.54 -1.51 0.00 0.00 177.39 174.73 1ww4 n SER 39 N -1.34 3.88 -0.06 -1.43 3.41 -1.26 -4.86 113.62 111.96 1ww4 n SER 39 Ca 0.11 -3.41 -0.16 0.00 -0.26 0.00 0.00 58.87 55.15 1ww4 n SER 39 Cb 0.29 -0.45 -0.13 0.00 -0.26 0.00 0.00 64.21 63.66 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 2.59 0.02 0.00 7.33 0.00 -1.91 -3.51 119.26 123.79 1ww4 h ALA 40 Ca 0.20 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1ww4 h ALA 40 Cb 1.11 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1ww4 h ALA 40 CO 0.72 0.14 0.00 0.41 0.00 0.00 0.00 179.25 180.52 1ww4 n GLY 41 N 1.60 -0.11 3.88 0.00 0.00 -1.26 -4.85 105.19 104.44 1ww4 n GLY 41 Ca -0.13 -1.29 -0.34 0.00 0.00 0.00 0.00 46.02 44.26 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 3.84 0.05 4.61 0.00 -1.26 -4.27 121.76 123.73 1ww4 s ALA 42 Ca 0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 1ww4 s ALA 42 Cb 0.00 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 1ww4 s ALA 42 CO 0.00 0.65 0.22 0.20 0.00 0.00 0.00 175.76 176.83 1ww4 s GLY 43 N -1.74 2.20 -0.93 0.00 0.00 -1.26 -4.84 107.32 100.75 1ww4 s GLY 43 Ca 0.28 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 44.22 1ww4 s GLY 43 CO 0.17 -0.73 1.65 1.44 0.00 0.00 0.00 173.10 175.63 1ww4 n SER 44 N 0.44 6.78 -0.09 1.64 7.64 -1.26 -3.95 113.62 124.81 1ww4 n SER 44 Ca -0.06 -3.70 0.11 0.00 1.01 0.00 0.00 58.87 56.24 1ww4 n SER 44 Cb 0.51 -1.04 0.11 0.00 -1.01 0.00 0.00 64.21 62.78 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 -0.12 0.25 -3.21 1.43 -0.04 -1.26 -5.05 135.00 127.01 1ww4 n PRO 45 Ca 0.44 -0.18 -0.40 0.00 -0.04 0.00 0.00 63.50 63.32 1ww4 n PRO 45 Cb 0.29 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.19 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 -2.87 6.57 0.13 3.54 0.02 -1.25 -4.67 114.94 116.41 1ww4 s ASN 46 Ca 0.13 0.69 -0.08 0.00 -1.02 0.00 0.00 52.86 52.57 1ww4 s ASN 46 Cb 0.17 -2.31 -0.07 0.00 0.02 0.00 0.00 41.25 39.07 1ww4 s ASN 46 CO 0.72 -0.23 1.36 0.78 0.02 0.00 0.00 177.10 179.75 1ww4 h ASN 47 N 7.60 0.77 -3.78 -1.22 4.21 -1.15 -3.26 115.58 118.74 1ww4 h ASN 47 Ca -0.32 -0.50 -0.14 0.00 1.21 0.00 0.00 56.30 56.56 1ww4 h ASN 47 Cb 1.15 -0.23 -0.25 0.00 -1.12 0.00 0.00 38.32 37.87 1ww4 h ASN 47 CO 0.75 1.28 -0.30 -0.89 -1.29 0.00 0.00 177.43 176.97 1ww4 s THR 48 N -3.70 -0.00 -0.02 2.81 2.01 -1.17 -2.65 115.64 112.92 1ww4 s THR 48 Ca -0.08 0.02 0.00 0.00 0.31 0.00 0.00 61.69 61.93 1ww4 s THR 48 Cb 0.09 -0.51 0.03 0.00 0.01 0.00 0.00 72.50 72.12 1ww4 s THR 48 CO 0.88 0.01 0.01 0.00 -0.69 0.00 0.00 174.62 174.83 1ww4 s ALA 49 N 0.35 0.22 -0.11 7.40 0.00 0.10 -0.69 121.76 129.03 1ww4 s ALA 49 Ca -0.01 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1ww4 s ALA 49 Cb -0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 1ww4 s ALA 49 CO -0.01 -0.08 -0.13 -0.51 0.00 0.00 0.00 175.76 175.03 1ww4 s LEU 50 N 0.99 2.76 0.01 0.00 2.01 0.15 -1.13 118.68 123.48 1ww4 s LEU 50 Ca -0.09 -0.28 0.04 0.00 0.01 0.00 0.00 54.13 53.80 1ww4 s LEU 50 Cb -0.13 -1.61 -0.01 0.00 0.01 0.00 0.00 46.19 44.44 1ww4 s LEU 50 CO -0.02 0.21 -0.12 0.20 1.01 0.00 0.00 176.35 177.63 1ww4 s ASN 51 N 0.11 1.38 -0.27 2.29 -0.87 -0.53 -0.54 114.94 116.51 1ww4 s ASN 51 Ca -0.06 -0.31 -0.05 0.00 -1.57 0.00 0.00 52.86 50.88 1ww4 s ASN 51 Cb -0.15 -0.12 0.01 0.00 -0.02 0.00 0.00 41.25 40.97 1ww4 s ASN 51 CO 0.04 0.08 0.02 -0.76 -2.57 0.00 0.00 177.10 173.91 1ww4 s LEU 52 N -0.64 3.48 -0.05 0.60 1.02 0.15 -1.89 118.68 121.36 1ww4 s LEU 52 Ca 0.02 -0.68 0.04 0.00 0.02 0.00 0.00 54.13 53.54 1ww4 s LEU 52 Cb -0.06 -1.80 -0.02 0.00 0.02 0.00 0.00 46.19 44.33 1ww4 s LEU 52 CO 0.00 -0.14 -0.16 -0.76 0.02 0.00 0.00 176.35 175.32 1ww4 s LEU 53 N 1.45 2.66 0.98 1.79 1.43 -0.03 -0.24 118.68 126.72 1ww4 s LEU 53 Ca 0.03 -0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 52.76 1ww4 s LEU 53 Cb -0.16 -1.53 0.18 0.00 0.03 0.00 0.00 46.19 44.70 1ww4 s LEU 53 CO -0.00 0.34 1.16 -0.94 0.23 0.00 0.00 176.35 177.14 1ww4 s SER 54 N -0.70 2.91 0.13 2.29 1.04 -0.57 -1.70 113.70 117.10 1ww4 s SER 54 Ca 0.11 0.79 0.18 0.00 0.48 0.00 0.00 55.95 57.51 1ww4 s SER 54 Cb -0.11 -1.21 0.78 0.00 0.10 0.00 0.00 66.02 65.59 1ww4 s SER 54 CO 0.00 -2.91 1.57 1.21 0.98 0.00 0.00 173.24 174.10 1ww4 n GLU 55 N -3.97 0.10 -0.06 4.02 2.13 -1.26 -1.57 120.64 120.03 1ww4 n GLU 55 Ca 0.09 0.35 0.12 0.00 0.66 0.00 0.00 57.16 58.38 1ww4 n GLU 55 Cb 0.59 -1.69 0.31 0.00 0.27 0.00 0.00 31.44 30.93 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 -1.87 2.33 0.00 4.31 3.02 -1.26 -4.92 115.26 116.88 1ww4 n ASN 56 Ca 0.03 -1.78 0.00 0.00 -0.03 0.00 0.00 54.58 52.79 1ww4 n ASN 56 Cb 0.19 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 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 1.28 1.14 3.71 7.41 0.00 -0.61 -4.64 105.19 113.48 1ww4 n GLY 57 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.93 2.08 -0.99 4.61 0.00 -1.26 -4.47 121.76 118.80 1ww4 s ALA 58 Ca 0.00 0.99 -0.12 0.00 0.00 0.00 0.00 51.96 52.82 1ww4 s ALA 58 Cb 0.00 -3.51 0.23 0.00 0.00 0.00 0.00 23.12 19.84 1ww4 s ALA 58 CO 0.00 -1.96 1.00 0.71 0.00 0.00 0.00 175.76 175.51 1ww4 s TYR 59 N -1.84 3.91 0.17 0.00 2.02 0.14 -1.51 117.35 120.23 1ww4 s TYR 59 Ca 0.77 -2.25 -0.23 0.00 -0.37 0.00 0.00 57.07 54.99 1ww4 s TYR 59 Cb -0.32 -3.91 0.07 0.00 -0.40 0.00 0.00 41.96 37.40 1ww4 s TYR 59 CO 0.46 -1.05 1.60 -0.07 -1.57 0.00 0.00 175.55 174.91 1ww4 h LEU 60 N 7.70 -1.10 -7.43 -1.29 -0.00 -0.89 -2.94 115.31 109.37 1ww4 h LEU 60 Ca 0.16 0.20 -0.28 0.00 -0.00 0.00 0.00 57.88 57.96 1ww4 h LEU 60 Cb 0.95 0.52 -0.34 0.00 -0.00 0.00 0.00 40.66 41.80 1ww4 h LEU 60 CO 0.94 -0.32 -0.66 -0.22 -0.00 0.00 0.00 178.44 178.18 1ww4 s LEU 61 N -10.60 0.71 -0.16 1.67 2.96 -0.79 -4.66 118.68 107.81 1ww4 s LEU 61 Ca -0.15 0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 53.95 1ww4 s LEU 61 Cb 0.14 0.16 -0.01 0.00 0.50 0.00 0.00 46.19 46.98 1ww4 s LEU 61 CO 0.68 -0.16 -0.12 -2.28 -1.32 0.00 0.00 176.35 173.15 1ww4 s HIS 62 N 1.34 2.84 -0.19 5.38 5.65 -0.13 -0.67 115.29 129.51 1ww4 s HIS 62 Ca -0.07 -0.90 0.01 0.00 0.25 0.00 0.00 55.06 54.36 1ww4 s HIS 62 Cb -0.12 -1.93 0.03 0.00 -1.18 0.00 0.00 32.58 29.37 1ww4 s HIS 62 CO -0.05 -0.41 -0.18 0.42 -0.65 0.00 0.00 174.74 173.87 1ww4 s ILE 63 N 0.85 2.00 -0.09 0.89 1.01 0.29 -2.08 121.20 124.07 1ww4 s ILE 63 Ca -0.04 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.63 1ww4 s ILE 63 Cb -0.15 -1.86 0.02 0.00 0.01 0.00 0.00 42.46 40.48 1ww4 s ILE 63 CO 0.00 0.44 -0.11 0.00 0.00 0.00 0.00 174.94 175.27 1ww4 s ALA 64 N 1.29 1.38 -0.21 9.38 0.00 -0.29 -0.67 121.76 132.65 1ww4 s ALA 64 Ca 0.03 -0.53 -0.11 0.00 0.00 0.00 0.00 51.96 51.34 1ww4 s ALA 64 Cb -0.14 -0.76 -0.05 0.00 0.00 0.00 0.00 23.12 22.17 1ww4 s ALA 64 CO -0.11 -0.14 0.19 -0.06 0.00 0.00 0.00 175.76 175.63 1ww4 s PHE 65 N 1.14 3.38 -0.37 0.00 0.40 0.13 -0.39 117.98 122.28 1ww4 s PHE 65 Ca -0.05 0.35 0.02 0.00 -0.60 0.00 0.00 56.93 56.65 1ww4 s PHE 65 Cb -0.14 -2.25 0.11 0.00 0.51 0.00 0.00 43.02 41.24 1ww4 s PHE 65 CO -0.02 0.18 0.12 1.03 0.70 0.00 0.00 175.22 177.22 1ww4 s ARG 66 N 0.70 1.26 0.09 0.44 0.52 -0.14 -0.64 118.95 121.18 1ww4 s ARG 66 Ca 0.10 -1.72 -0.31 0.00 -0.52 0.00 0.00 55.73 53.28 1ww4 s ARG 66 Cb -0.12 -2.69 -0.14 0.00 0.52 0.00 0.00 34.95 32.51 1ww4 s ARG 66 CO 0.02 -1.01 1.61 -0.07 0.02 0.00 0.00 175.30 175.88 1ww4 h LEU 67 N 7.51 -0.94 -1.14 2.53 4.07 -1.82 0.41 115.31 125.94 1ww4 h LEU 67 Ca -0.07 0.08 0.13 0.00 0.08 0.00 0.00 57.88 58.10 1ww4 h LEU 67 Cb 0.99 0.31 -0.08 0.00 1.08 0.00 0.00 40.66 42.96 1ww4 h LEU 67 CO 0.52 -0.50 0.60 0.06 -1.08 0.00 0.00 178.44 178.04 1ww4 h GLN 68 N -0.76 0.82 -0.19 1.13 -0.00 -1.92 0.52 115.11 114.71 1ww4 h GLN 68 Ca -0.03 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.57 1ww4 h GLN 68 Cb 0.67 -0.19 0.00 0.00 -0.00 0.00 0.00 27.48 27.96 1ww4 h GLN 68 CO -0.04 0.54 0.00 0.39 -0.00 0.00 0.00 178.83 179.73 1ww4 n GLU 69 N -4.60 1.88 -4.04 0.06 1.02 -1.10 -4.96 120.64 108.90 1ww4 n GLU 69 Ca 0.18 -1.32 -0.40 0.00 -0.02 0.00 0.00 57.16 55.60 1ww4 n GLU 69 Cb 0.42 -1.42 0.02 0.00 -0.02 0.00 0.00 31.44 30.43 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 0.55 -3.45 -3.81 1.62 2.85 0.18 -4.92 115.26 108.28 1ww4 n ASN 70 Ca 0.17 -1.11 -0.09 0.00 -0.11 0.00 0.00 54.58 53.44 1ww4 n ASN 70 Cb 0.39 -1.33 -0.03 0.00 1.24 0.00 0.00 39.78 40.04 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 -3.76 0.01 -0.07 3.44 1.01 -0.74 -2.58 120.40 117.71 1ww4 s VAL 71 Ca 0.42 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1ww4 s VAL 71 Cb -0.24 -1.80 0.01 0.00 0.00 0.00 0.00 36.38 34.35 1ww4 s VAL 71 CO 0.83 -0.05 -0.16 -0.63 0.00 0.00 0.00 175.10 175.08 1ww4 s ILE 72 N -3.91 1.44 -0.06 2.22 1.01 -0.48 -0.96 121.20 120.46 1ww4 s ILE 72 Ca 0.12 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 60.12 1ww4 s ILE 72 Cb -0.02 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 1ww4 s ILE 72 CO 0.02 0.42 -0.09 -0.69 0.00 0.00 0.00 174.94 174.61 1ww4 s VAL 73 N 0.49 3.54 -0.12 2.92 1.01 0.48 -1.09 120.40 127.63 1ww4 s VAL 73 Ca -0.14 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1ww4 s VAL 73 Cb -0.16 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.80 1ww4 s VAL 73 CO 0.05 0.58 -0.17 -0.36 0.00 0.00 0.00 175.10 175.21 1ww4 s PHE 74 N -0.80 2.18 0.20 5.22 0.40 -0.82 -1.13 117.98 123.22 1ww4 s PHE 74 Ca 0.12 -1.07 -0.05 0.00 -0.60 0.00 0.00 56.93 55.34 1ww4 s PHE 74 Cb -0.11 -1.54 0.02 0.00 0.51 0.00 0.00 43.02 41.90 1ww4 s PHE 74 CO 0.02 -0.53 0.35 -1.71 0.70 0.00 0.00 175.22 174.04 1ww4 n ASN 75 N 4.22 -1.00 -3.68 1.36 2.85 -0.88 -1.03 115.26 117.09 1ww4 n ASN 75 Ca -0.19 -1.95 -0.10 0.00 -0.11 0.00 0.00 54.58 52.23 1ww4 n ASN 75 Cb 0.51 1.74 -0.03 0.00 1.24 0.00 0.00 39.78 43.24 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 -2.15 0.08 0.00 1.20 0.01 -1.26 -0.96 113.70 110.62 1ww4 s SER 76 Ca 0.12 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.37 1ww4 s SER 76 Cb -0.02 0.66 0.00 0.00 0.21 0.00 0.00 66.02 66.88 1ww4 s SER 76 CO 0.09 -1.28 0.00 -2.11 0.41 0.00 0.00 173.24 170.34 1ww4 n ARG 77 N -0.45 0.00 -1.81 12.44 1.85 -1.11 -2.26 116.66 125.32 1ww4 n ARG 77 Ca -0.03 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.52 1ww4 n ARG 77 Cb 0.61 0.00 0.03 0.00 -1.05 0.00 0.00 32.46 32.05 1ww4 n ARG 77 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1ww4 s GLN 78 N -1.35 3.21 0.49 2.89 1.11 -1.26 0.28 119.66 125.02 1ww4 s GLN 78 Ca 0.00 0.70 -0.24 0.00 0.01 0.00 0.00 55.36 55.83 1ww4 s GLN 78 Cb 0.00 -2.04 -0.07 0.00 -1.01 0.00 0.00 33.01 29.89 1ww4 s GLN 78 CO 0.00 -0.84 1.34 -2.30 0.01 0.00 0.00 175.29 173.50 1ww4 n PRO 79 N -2.92 1.88 -4.20 2.91 -0.02 -1.26 -2.85 135.00 128.53 1ww4 n PRO 79 Ca 0.07 0.68 -0.35 0.00 -2.02 0.00 0.00 63.50 61.88 1ww4 n PRO 79 Cb 0.55 -2.52 -0.06 0.00 -0.02 0.00 0.00 33.50 31.45 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 -0.45 -0.66 -3.95 2.55 3.02 -1.26 -4.94 115.26 109.58 1ww4 n ASN 80 Ca 0.08 -1.25 -0.09 0.00 -0.03 0.00 0.00 54.58 53.29 1ww4 n ASN 80 Cb 0.43 -1.81 -0.08 0.00 -0.61 0.00 0.00 39.78 37.71 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 -4.10 0.05 0.64 5.41 0.00 -1.13 -5.17 121.76 117.46 1ww4 s ALA 81 Ca 0.14 -0.86 -0.13 0.00 0.00 0.00 0.00 51.96 51.11 1ww4 s ALA 81 Cb -0.08 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.63 1ww4 s ALA 81 CO 0.98 -0.53 1.05 -1.25 0.00 0.00 0.00 175.76 176.01 1ww4 s PRO 82 N -3.92 3.16 0.49 0.00 0.04 -1.26 -4.76 135.00 128.75 1ww4 s PRO 82 Ca 0.11 1.05 -0.23 0.00 0.04 0.00 0.00 61.00 61.97 1ww4 s PRO 82 Cb 0.05 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.51 1ww4 s PRO 82 CO -0.06 -0.92 1.34 -1.58 0.04 0.00 0.00 177.00 175.81 1ww4 s TRP 83 N -2.78 2.50 0.00 0.56 0.23 -1.26 -4.66 118.94 113.52 1ww4 s TRP 83 Ca 0.60 1.38 0.00 0.00 -2.03 0.00 0.00 56.10 56.05 1ww4 s TRP 83 Cb -0.15 -3.74 0.00 0.00 0.03 0.00 0.00 33.47 29.61 1ww4 s TRP 83 CO 0.46 -2.57 0.00 1.28 0.96 0.00 0.00 176.95 177.08 1ww4 n LEU 84 N -0.58 0.00 -4.62 2.99 4.77 -0.96 -5.00 117.00 113.61 1ww4 n LEU 84 Ca 0.08 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.63 1ww4 n LEU 84 Cb 0.44 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 1ww4 n LEU 84 CO 0.54 0.00 1.52 -0.69 -1.33 0.00 0.00 177.39 177.42 1ww4 s VAL 85 N 1.86 3.46 -0.31 4.08 1.01 -1.26 -4.87 120.40 124.38 1ww4 s VAL 85 Ca 0.00 0.50 -0.11 0.00 0.00 0.00 0.00 61.98 62.37 1ww4 s VAL 85 Cb 0.00 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 1ww4 s VAL 85 CO 0.00 -0.27 0.19 -1.83 0.00 0.00 0.00 175.10 173.19 1ww4 s GLU 86 N 5.25 3.63 0.83 2.72 -1.05 -1.26 -4.70 118.70 124.11 1ww4 s GLU 86 Ca 0.80 -0.53 -0.12 0.00 -0.15 0.00 0.00 54.97 54.97 1ww4 s GLU 86 Cb -0.27 -3.67 0.09 0.00 -0.44 0.00 0.00 34.13 29.85 1ww4 s GLU 86 CO 0.33 -0.33 1.17 -0.65 0.95 0.00 0.00 175.26 176.73 1ww4 s GLN 87 N 1.70 1.82 -0.14 -4.83 -1.52 -0.20 -4.89 119.66 111.61 1ww4 s GLN 87 Ca 0.06 0.17 -0.29 0.00 -1.95 0.00 0.00 55.36 53.36 1ww4 s GLN 87 Cb -0.17 -1.93 0.08 0.00 -0.22 0.00 0.00 33.01 30.77 1ww4 s GLN 87 CO 0.09 -1.71 0.74 -0.98 -0.25 0.00 0.00 175.29 173.19 1ww4 s ARG 88 N -5.50 0.92 -0.12 2.91 1.70 -1.26 -1.95 118.95 115.65 1ww4 s ARG 88 Ca 0.62 0.48 0.03 0.00 -0.47 0.00 0.00 55.73 56.39 1ww4 s ARG 88 Cb -0.12 0.44 -0.00 0.00 -0.57 0.00 0.00 34.95 34.70 1ww4 s ARG 88 CO 0.50 -0.23 -0.21 0.08 -1.08 0.00 0.00 175.30 174.36 1ww4 s VAL 89 N -0.65 2.31 0.36 4.99 1.01 -0.25 -4.97 120.40 123.20 1ww4 s VAL 89 Ca -0.06 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 60.78 1ww4 s VAL 89 Cb -0.02 -1.92 -0.10 0.00 0.00 0.00 0.00 36.38 34.35 1ww4 s VAL 89 CO 0.06 0.55 0.89 -0.44 0.00 0.00 0.00 175.10 176.16 1ww4 s SER 90 N 0.47 7.04 -0.15 3.32 0.01 -1.26 -1.39 113.70 121.74 1ww4 s SER 90 Ca -0.14 1.64 -0.10 0.00 1.31 0.00 0.00 55.95 58.66 1ww4 s SER 90 Cb -0.17 -2.51 0.04 0.00 0.21 0.00 0.00 66.02 63.59 1ww4 s SER 90 CO 0.06 -0.21 0.20 -3.20 0.41 0.00 0.00 173.24 170.50 1ww4 n ASN 91 N -0.11 -0.70 0.28 2.44 2.85 -1.07 -4.91 115.26 114.04 1ww4 n ASN 91 Ca 0.04 1.08 -0.11 0.00 -0.11 0.00 0.00 54.58 55.48 1ww4 n ASN 91 Cb 0.52 -4.42 -0.05 0.00 1.24 0.00 0.00 39.78 37.07 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 3.26 0.00 -1.24 3.44 2.07 -1.85 -3.25 116.25 118.67 1ww4 h VAL 92 Ca -0.46 -0.09 0.39 0.00 0.82 0.00 0.00 66.70 67.36 1ww4 h VAL 92 Cb 1.03 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.68 1ww4 h VAL 92 CO 0.01 0.00 0.79 0.00 0.02 0.00 0.00 177.57 178.39 1ww4 h ALA 93 N -1.58 2.58 -0.00 1.67 0.00 -1.96 0.16 119.26 120.13 1ww4 h ALA 93 Ca -0.07 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1ww4 h ALA 93 Cb 0.54 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1ww4 h ALA 93 CO 0.12 -1.16 -0.12 -0.91 0.00 0.00 0.00 179.25 177.18 1ww4 h ASN 94 N 0.16 0.00 1.63 0.00 -0.26 -1.91 -2.11 115.58 113.09 1ww4 h ASN 94 Ca 0.76 -0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 56.45 1ww4 h ASN 94 Cb 2.29 -0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 39.54 1ww4 h ASN 94 CO -0.40 0.12 -0.24 1.56 -1.06 0.00 0.00 177.43 177.41 1ww4 h GLN 95 N 0.00 0.00 -0.61 0.81 1.08 -0.80 -3.20 115.11 112.39 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 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 1ww4 h GLN 95 CO 0.02 0.24 0.00 1.19 -0.95 0.00 0.00 178.83 179.33 1ww4 n PHE 96 N -3.18 0.81 -1.89 2.96 3.72 -0.81 -4.81 117.46 114.25 1ww4 n PHE 96 Ca 0.03 -0.41 -0.42 0.00 -0.05 0.00 0.00 57.45 56.60 1ww4 n PHE 96 Cb 0.60 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.11 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 -1.19 3.11 0.00 4.37 1.01 -1.09 -1.79 121.20 125.63 1ww4 s ILE 97 Ca 0.42 0.43 0.00 0.00 0.00 0.00 0.00 60.65 61.50 1ww4 s ILE 97 Cb 0.22 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.41 1ww4 s ILE 97 CO 0.29 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.83 1ww4 n GLY 98 N 4.12 1.79 0.00 6.18 0.00 -1.26 -5.03 105.19 111.00 1ww4 n GLY 98 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.14 0.00 -0.73 1.61 7.64 -0.74 -5.04 113.62 116.50 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 0.03 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 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 2.79 0.75 2.79 0.23 0.00 -1.26 -4.53 105.19 105.96 1ww4 n GLY 100 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.67 0.79 3.45 -0.02 0.00 -1.26 -4.99 105.19 102.50 1ww4 n GLY 101 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.10 1.08 0.11 1.61 -2.85 -1.26 -2.55 119.74 115.79 1ww4 s LYS 102 Ca 0.00 -0.04 -0.06 0.00 -1.00 0.00 0.00 55.97 54.86 1ww4 s LYS 102 Cb 0.00 0.50 -0.02 0.00 -2.06 0.00 0.00 37.83 36.26 1ww4 s LYS 102 CO 0.00 -0.38 0.16 0.00 0.10 0.00 0.00 175.35 175.23 1ww4 s ALA 103 N -2.07 0.15 -0.10 0.59 0.00 -0.68 -4.71 121.76 114.94 1ww4 s ALA 103 Ca -0.07 -0.94 -0.07 0.00 0.00 0.00 0.00 51.96 50.88 1ww4 s ALA 103 Cb -0.01 0.63 0.03 0.00 0.00 0.00 0.00 23.12 23.78 1ww4 s ALA 103 CO 0.02 -0.53 0.24 0.00 0.00 0.00 0.00 175.76 175.49 1ww4 s MET 104 N -3.94 0.24 -0.06 0.00 0.23 -1.26 -0.77 119.30 113.75 1ww4 s MET 104 Ca 0.12 0.43 0.03 0.00 -1.03 0.00 0.00 55.69 55.24 1ww4 s MET 104 Cb 0.05 0.01 -0.02 0.00 -1.53 0.00 0.00 34.83 33.34 1ww4 s MET 104 CO -0.05 -0.10 -0.15 0.08 -2.03 0.00 0.00 175.02 172.77 1ww4 s VAL 105 N 0.67 2.94 -0.04 5.16 1.01 -0.29 -0.10 120.40 129.76 1ww4 s VAL 105 Ca -0.04 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.22 1ww4 s VAL 105 Cb -0.06 -2.15 -0.00 0.00 0.00 0.00 0.00 36.38 34.17 1ww4 s VAL 105 CO -0.04 0.58 -0.16 -0.89 0.00 0.00 0.00 175.10 174.59 1ww4 s THR 106 N -0.51 1.29 -0.18 3.92 2.01 0.14 0.54 115.64 122.86 1ww4 s THR 106 Ca 0.07 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.43 1ww4 s THR 106 Cb -0.12 -1.11 0.02 0.00 0.01 0.00 0.00 72.50 71.30 1ww4 s THR 106 CO 0.01 0.38 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.43 1ww4 s VAL 107 N 0.03 2.06 -0.19 3.82 1.01 0.38 0.23 120.40 127.74 1ww4 s VAL 107 Ca -0.03 -0.94 -0.10 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 0.02 0.54 0.14 -0.36 0.00 0.00 0.00 175.10 175.44 1ww4 s PHE 108 N 1.28 3.44 -0.82 5.22 0.40 -0.20 -1.85 117.98 125.44 1ww4 s PHE 108 Ca 0.05 0.37 -0.15 0.00 -0.60 0.00 0.00 56.93 56.60 1ww4 s PHE 108 Cb -0.13 -2.15 0.19 0.00 0.51 0.00 0.00 43.02 41.44 1ww4 s PHE 108 CO -0.13 0.34 0.82 0.34 0.70 0.00 0.00 175.22 177.30 1ww4 s ASP 109 N 0.20 6.68 -0.03 1.36 3.68 -0.94 -1.20 116.67 126.42 1ww4 s ASP 109 Ca 0.09 -2.45 -0.00 0.00 2.13 0.00 0.00 52.55 52.32 1ww4 s ASP 109 Cb -0.11 -2.25 0.02 0.00 -1.45 0.00 0.00 42.92 39.12 1ww4 s ASP 109 CO -0.01 -0.71 1.77 1.41 0.13 0.00 0.00 175.17 177.76 1ww4 n HIS 110 N 4.68 0.13 0.00 -5.34 8.25 0.72 0.16 115.22 123.83 1ww4 n HIS 110 Ca 0.13 -0.96 0.00 0.00 -0.26 0.00 0.00 57.72 56.64 1ww4 n HIS 110 Cb 0.47 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 31.10 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 1.17 0.22 1.01 -1.41 0.00 -1.26 -3.12 105.19 101.80 1ww4 n GLY 111 Ca 0.03 -0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 1.06 3.05 -3.84 1.61 5.75 -1.26 -4.92 116.55 118.00 1ww4 n ASP 112 Ca 0.00 -1.94 -0.09 0.00 -0.01 0.00 0.00 54.79 52.75 1ww4 n ASP 112 Cb 0.00 -0.19 -0.05 0.00 -1.03 0.00 0.00 41.12 39.86 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 -1.63 1.34 -0.12 0.11 1.02 -1.18 -3.14 119.74 116.13 1ww4 s LYS 113 Ca 0.36 -1.01 0.00 0.00 0.02 0.00 0.00 55.97 55.35 1ww4 s LYS 113 Cb 0.21 0.47 0.02 0.00 -0.52 0.00 0.00 37.83 38.02 1ww4 s LYS 113 CO 0.31 -0.55 -0.12 0.71 -0.92 0.00 0.00 175.35 174.78 1ww4 s TYR 114 N -3.92 1.84 -0.24 3.18 2.02 0.00 -0.20 117.35 120.03 1ww4 s TYR 114 Ca 0.13 -0.95 -0.11 0.00 -0.37 0.00 0.00 57.07 55.77 1ww4 s TYR 114 Cb 0.00 -1.40 -0.05 0.00 -0.40 0.00 0.00 41.96 40.11 1ww4 s TYR 114 CO -0.00 -0.55 0.18 -1.14 -1.57 0.00 0.00 175.55 172.47 1ww4 s GLN 115 N 1.40 4.06 -0.20 -0.62 0.74 -0.34 -2.06 119.66 122.65 1ww4 s GLN 115 Ca 0.01 -0.24 -0.06 0.00 0.05 0.00 0.00 55.36 55.13 1ww4 s GLN 115 Cb -0.13 -3.55 -0.03 0.00 1.10 0.00 0.00 33.01 30.39 1ww4 s GLN 115 CO -0.07 0.02 0.03 0.08 -0.55 0.00 0.00 175.29 174.80 1ww4 s VAL 116 N 1.16 4.21 -0.09 1.34 1.01 -0.81 -1.03 120.40 126.20 1ww4 s VAL 116 Ca 0.08 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.88 1ww4 s VAL 116 Cb -0.14 -2.91 -0.00 0.00 0.00 0.00 0.00 36.38 33.33 1ww4 s VAL 116 CO 0.05 0.42 -0.23 -0.69 0.00 0.00 0.00 175.10 174.65 1ww4 s VAL 117 N 0.93 2.00 -0.43 2.92 1.01 0.14 -1.43 120.40 125.53 1ww4 s VAL 117 Ca 0.02 -1.00 -0.11 0.00 0.00 0.00 0.00 61.98 60.90 1ww4 s VAL 117 Cb -0.14 -1.73 0.08 0.00 0.00 0.00 0.00 36.38 34.59 1ww4 s VAL 117 CO 0.02 0.55 0.30 -0.63 0.00 0.00 0.00 175.10 175.34 1ww4 s ILE 118 N 0.27 4.48 0.00 2.22 -1.09 0.32 0.28 121.20 127.68 1ww4 s ILE 118 Ca -0.16 -1.32 0.00 0.00 -2.23 0.00 0.00 60.65 56.94 1ww4 s ILE 118 Cb -0.17 -3.73 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 1ww4 s ILE 118 CO 0.08 -0.53 0.00 0.59 -1.23 0.00 0.00 174.94 173.85 1ww4 n ASN 119 N 4.99 0.00 -0.04 3.58 5.03 0.86 -1.95 115.26 127.73 1ww4 n ASN 119 Ca -0.11 0.00 0.01 0.00 0.87 0.00 0.00 54.58 55.35 1ww4 n ASN 119 Cb 0.43 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.19 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 1.87 -3.49 3.52 1.02 -1.26 -4.94 120.64 117.36 1ww4 n GLU 120 Ca 0.00 -0.38 -0.38 0.00 -0.02 0.00 0.00 57.16 56.38 1ww4 n GLU 120 Cb 0.00 -0.86 -0.08 0.00 -0.02 0.00 0.00 31.44 30.47 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 -0.50 4.12 0.02 3.49 2.20 -0.82 -5.05 119.74 123.20 1ww4 s LYS 121 Ca 0.01 0.01 -0.30 0.00 -0.36 0.00 0.00 55.97 55.33 1ww4 s LYS 121 Cb 0.01 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 1ww4 s LYS 121 CO 0.04 -0.01 1.06 0.99 -0.36 0.00 0.00 175.35 177.06 1ww4 s THR 122 N 1.26 4.55 -0.18 3.43 2.01 -1.26 -0.52 115.64 124.93 1ww4 s THR 122 Ca 0.14 1.83 0.16 0.00 0.31 0.00 0.00 61.69 64.13 1ww4 s THR 122 Cb -0.14 -4.17 -0.22 0.00 0.01 0.00 0.00 72.50 67.97 1ww4 s THR 122 CO 0.07 0.14 0.06 1.33 -0.69 0.00 0.00 174.62 175.52 1ww4 n VAL 123 N 3.93 1.23 -3.51 3.82 0.24 -0.51 -4.94 118.33 118.59 1ww4 n VAL 123 Ca 0.07 -0.76 -0.15 0.00 -2.04 0.00 0.00 64.34 61.47 1ww4 n VAL 123 Cb 0.49 -0.54 -0.05 0.00 -1.47 0.00 0.00 33.84 32.28 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 -2.43 0.00 -0.53 1.34 2.07 -1.24 -4.98 121.20 115.43 1ww4 s ILE 124 Ca -0.09 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.17 1ww4 s ILE 124 Cb 0.05 -1.00 0.44 0.00 0.13 0.00 0.00 42.46 42.08 1ww4 s ILE 124 CO 0.73 0.00 1.62 0.00 -1.91 0.00 0.00 174.94 175.38 1ww4 n GLN 125 N 0.57 3.12 -0.47 3.50 1.13 -1.26 -1.93 117.38 122.04 1ww4 n GLN 125 Ca -0.16 -3.78 -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 -0.74 0.15 -3.52 1.08 9.36 -0.87 -4.54 117.16 118.07 1ww4 n TYR 126 Ca 0.52 0.33 -0.37 0.00 3.32 0.00 0.00 57.90 61.70 1ww4 n TYR 126 Cb 0.71 -0.66 -0.09 0.00 -0.63 0.00 0.00 39.34 38.68 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 -0.04 5.28 -0.08 2.97 2.01 -1.26 -0.82 115.64 123.69 1ww4 s THR 127 Ca 0.28 0.43 -0.31 0.00 0.31 0.00 0.00 61.69 62.39 1ww4 s THR 127 Cb -0.39 -3.61 -0.09 0.00 0.01 0.00 0.00 72.50 68.42 1ww4 s THR 127 CO 0.18 0.28 2.03 0.29 -0.69 0.00 0.00 174.62 176.71 1ww4 n LYS 128 N 4.51 2.37 0.06 4.92 5.02 -1.19 -4.84 118.16 129.01 1ww4 n LYS 128 Ca -0.12 0.82 -0.04 0.00 -2.02 0.00 0.00 58.31 56.95 1ww4 n LYS 128 Cb 0.51 -2.94 -0.08 0.00 -0.02 0.00 0.00 35.03 32.50 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 11.46 0.00 -5.41 1.97 4.20 -1.93 -3.45 115.11 121.96 1ww4 h GLN 129 Ca -0.46 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 57.76 1ww4 h GLN 129 Cb 1.25 0.00 -0.28 0.00 0.30 0.00 0.00 27.48 28.76 1ww4 h GLN 129 CO 0.95 0.65 -0.81 0.42 -0.67 0.00 0.00 178.83 179.37 1ww4 s ILE 130 N -2.78 1.19 0.34 2.54 1.01 -1.26 -5.09 121.20 117.15 1ww4 s ILE 130 Ca -0.00 -0.78 0.08 0.00 0.00 0.00 0.00 60.65 59.96 1ww4 s ILE 130 Cb 0.09 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.50 1ww4 s ILE 130 CO 0.80 0.23 0.11 -0.44 0.00 0.00 0.00 174.94 175.64 1ww4 s SER 131 N -0.63 4.58 0.00 3.58 0.01 -1.26 -4.93 113.70 115.05 1ww4 s SER 131 Ca 0.05 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.49 1ww4 s SER 131 Cb -0.06 -0.69 0.00 0.00 0.21 0.00 0.00 66.02 65.47 1ww4 s SER 131 CO 0.00 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 173.98 1ww4 n GLY 132 N -1.11 0.40 3.80 3.44 0.00 -1.26 -5.08 105.19 105.38 1ww4 n GLY 132 Ca -0.03 -1.80 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.71 4.94 -0.16 2.61 -4.23 -1.26 -4.88 115.64 110.96 1ww4 s THR 133 Ca 0.00 -0.10 -0.28 0.00 -1.18 0.00 0.00 61.69 60.13 1ww4 s THR 133 Cb 0.00 -3.16 -0.01 0.00 1.34 0.00 0.00 72.50 70.67 1ww4 s THR 133 CO 0.00 0.54 0.96 -0.89 -0.54 0.00 0.00 174.62 174.69 1ww4 s THR 134 N -1.04 4.78 -0.34 3.99 2.01 -0.33 -4.23 115.64 120.48 1ww4 s THR 134 Ca 0.17 1.91 0.08 0.00 0.31 0.00 0.00 61.69 64.16 1ww4 s THR 134 Cb -0.12 -4.26 -0.09 0.00 0.01 0.00 0.00 72.50 68.05 1ww4 s THR 134 CO 0.07 -0.04 0.32 -1.54 -0.69 0.00 0.00 174.62 172.73 1ww4 n SER 135 N 5.44 0.53 -3.49 3.53 3.41 -0.69 -0.78 113.62 121.56 1ww4 n SER 135 Ca 0.08 -0.64 -0.13 0.00 -0.26 0.00 0.00 58.87 57.92 1ww4 n SER 135 Cb 0.48 1.02 -0.03 0.00 -0.26 0.00 0.00 64.21 65.42 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 -1.80 -0.50 0.04 4.04 1.04 -1.07 -0.80 113.70 114.66 1ww4 s SER 136 Ca 0.03 0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.54 1ww4 s SER 136 Cb 0.06 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.71 1ww4 s SER 136 CO 0.32 -0.87 -0.09 -0.76 0.98 0.00 0.00 173.24 172.81 1ww4 s LEU 137 N -2.46 2.23 0.04 2.42 1.43 -0.78 -0.85 118.68 120.72 1ww4 s LEU 137 Ca -0.01 -0.51 0.04 0.00 -1.03 0.00 0.00 54.13 52.62 1ww4 s LEU 137 Cb -0.00 -0.28 -0.02 0.00 0.03 0.00 0.00 46.19 45.91 1ww4 s LEU 137 CO -0.08 -0.13 -0.12 -0.94 0.23 0.00 0.00 176.35 175.30 1ww4 s SER 138 N -1.43 1.42 -0.30 2.29 1.04 -0.79 -0.93 113.70 114.99 1ww4 s SER 138 Ca -0.06 -0.48 0.02 0.00 0.48 0.00 0.00 55.95 55.91 1ww4 s SER 138 Cb -0.09 -0.06 0.09 0.00 0.10 0.00 0.00 66.02 66.05 1ww4 s SER 138 CO 0.01 -0.04 0.01 -0.47 0.98 0.00 0.00 173.24 173.73 1ww4 s TYR 139 N -1.00 3.02 0.06 5.02 5.04 -0.92 -1.45 117.35 127.13 1ww4 s TYR 139 Ca -0.02 -2.41 0.03 0.00 -2.44 0.00 0.00 57.07 52.23 1ww4 s TYR 139 Cb -0.08 -2.28 -0.04 0.00 0.35 0.00 0.00 41.96 39.91 1ww4 s TYR 139 CO 0.01 -0.89 0.05 -0.80 -1.34 0.00 0.00 175.55 172.58 1ww4 s ASN 140 N 1.17 5.36 0.11 4.32 0.02 -0.29 0.12 114.94 125.75 1ww4 s ASN 140 Ca 0.04 -0.03 -0.02 0.00 -1.02 0.00 0.00 52.86 51.83 1ww4 s ASN 140 Cb -0.19 -1.41 -0.04 0.00 0.02 0.00 0.00 41.25 39.64 1ww4 s ASN 140 CO -0.10 0.20 0.05 -0.44 0.02 0.00 0.00 177.10 176.82 1ww4 s SER 141 N -2.18 0.34 -0.21 -1.22 0.01 -1.26 -0.72 113.70 108.45 1ww4 s SER 141 Ca 0.26 -1.11 -0.12 0.00 1.31 0.00 0.00 55.95 56.29 1ww4 s SER 141 Cb -0.12 0.28 -0.05 0.00 0.21 0.00 0.00 66.02 66.34 1ww4 s SER 141 CO 0.19 -0.70 0.21 -0.89 0.41 0.00 0.00 173.24 172.46 1ww4 s THR 142 N -4.00 5.34 -0.15 1.44 2.01 -1.08 -4.93 115.64 114.26 1ww4 s THR 142 Ca 0.18 0.33 -0.14 0.00 0.31 0.00 0.00 61.69 62.38 1ww4 s THR 142 Cb 0.07 -3.55 -0.06 0.00 0.01 0.00 0.00 72.50 68.97 1ww4 s THR 142 CO -0.02 0.36 0.54 1.21 -0.69 0.00 0.00 174.62 176.02 1ww4 n GLU 143 N 4.04 0.00 -0.74 4.92 2.13 -1.26 -1.08 120.64 128.64 1ww4 n GLU 143 Ca -0.14 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.68 1ww4 n GLU 143 Cb 0.52 -0.45 0.00 0.00 0.27 0.00 0.00 31.44 31.78 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 1.59 0.00 1.07 8.31 0.00 -1.26 -4.79 105.19 110.12 1ww4 n GLY 144 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.56 1.91 -2.88 2.61 -2.24 -0.24 -4.93 114.28 106.95 1ww4 n THR 145 Ca 0.00 -3.08 -0.37 0.00 -2.27 0.00 0.00 64.05 58.33 1ww4 n THR 145 Cb 0.35 -0.15 -0.06 0.00 -2.10 0.00 0.00 70.33 68.36 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 -3.15 7.28 0.17 3.42 0.15 -1.25 -4.62 113.70 115.70 1ww4 s SER 146 Ca 0.39 1.72 0.27 0.00 0.70 0.00 0.00 55.95 59.03 1ww4 s SER 146 Cb 0.38 -2.53 0.89 0.00 -1.71 0.00 0.00 66.02 63.04 1ww4 s SER 146 CO -0.06 -0.02 1.80 2.30 1.20 0.00 0.00 173.24 178.46 1ww4 n ILE 147 N 0.68 0.47 -3.97 6.45 -5.35 -1.26 -4.71 119.36 111.67 1ww4 n ILE 147 Ca 0.00 -0.23 -0.23 0.00 -0.27 0.00 0.00 62.75 62.03 1ww4 n ILE 147 Cb 0.50 -0.56 -0.05 0.00 -1.74 0.00 0.00 39.64 37.79 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 -3.08 2.74 1.03 4.28 0.08 -1.26 -1.49 117.98 120.28 1ww4 s PHE 148 Ca 0.11 -0.40 -0.11 0.00 0.12 0.00 0.00 56.93 56.65 1ww4 s PHE 148 Cb 0.14 -1.77 0.20 0.00 -0.57 0.00 0.00 43.02 41.02 1ww4 s PHE 148 CO 0.59 0.23 1.05 -1.13 -0.10 0.00 0.00 175.22 175.86 1ww4 n SER 149 N -1.26 -0.64 0.23 1.36 3.41 -1.26 -4.89 113.62 110.58 1ww4 n SER 149 Ca -0.02 0.17 0.07 0.00 -0.26 0.00 0.00 58.87 58.83 1ww4 n SER 149 Cb 0.61 -1.37 0.57 0.00 -0.26 0.00 0.00 64.21 63.76 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 -2.23 0.97 -3.27 6.66 1.35 -1.97 -3.40 112.91 111.01 1ww4 h THR 150 Ca -0.51 -0.62 -0.68 0.00 -0.55 0.00 0.00 66.41 64.06 1ww4 h THR 150 Cb 1.30 1.35 -0.33 0.00 -1.73 0.00 0.00 68.15 68.73 1ww4 h THR 150 CO 0.44 0.17 -0.87 -0.69 -0.25 0.00 0.00 175.52 174.32 1ww4 s VAL 151 N -4.50 2.09 -0.10 6.82 1.01 -1.26 -1.16 120.40 123.30 1ww4 s VAL 151 Ca -0.04 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 60.95 1ww4 s VAL 151 Cb 0.15 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 1ww4 s VAL 151 CO 0.66 0.55 -0.09 -0.69 0.00 0.00 0.00 175.10 175.54 1ww4 s VAL 152 N 0.57 3.45 0.06 2.92 1.01 -0.32 -4.68 120.40 123.41 1ww4 s VAL 152 Ca -0.13 -0.55 -0.21 0.00 0.00 0.00 0.00 61.98 61.10 1ww4 s VAL 152 Cb -0.17 -2.44 -0.06 0.00 0.00 0.00 0.00 36.38 33.71 1ww4 s VAL 152 CO 0.04 0.55 0.61 -1.61 0.00 0.00 0.00 175.10 174.69 1ww4 s GLU 153 N -0.17 4.30 -0.10 2.72 2.02 0.11 -0.65 118.70 126.92 1ww4 s GLU 153 Ca 0.01 0.81 0.01 0.00 0.02 0.00 0.00 54.97 55.82 1ww4 s GLU 153 Cb -0.13 -3.28 0.02 0.00 0.10 0.00 0.00 34.13 30.84 1ww4 s GLU 153 CO 0.03 0.54 -0.13 0.00 0.02 0.00 0.00 175.26 175.72 1ww4 s ALA 154 N -0.81 1.49 -0.14 5.21 0.00 0.65 0.12 121.76 128.27 1ww4 s ALA 154 Ca 0.31 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.69 1ww4 s ALA 154 Cb -0.20 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.16 1ww4 s ALA 154 CO 0.20 -0.08 -0.19 0.08 0.00 0.00 0.00 175.76 175.76 1ww4 s VAL 155 N 1.03 2.31 0.00 0.00 1.01 -0.68 -0.06 120.40 124.01 1ww4 s VAL 155 Ca -0.07 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.05 1ww4 s VAL 155 Cb -0.15 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1ww4 s VAL 155 CO -0.01 0.54 -0.06 0.42 0.00 0.00 0.00 175.10 175.98 1ww4 s THR 156 N 0.79 3.68 -0.26 3.92 -4.23 -0.12 -0.97 115.64 118.45 1ww4 s THR 156 Ca -0.07 -0.76 0.02 0.00 -1.18 0.00 0.00 61.69 59.70 1ww4 s THR 156 Cb -0.16 -2.60 0.07 0.00 1.34 0.00 0.00 72.50 71.15 1ww4 s THR 156 CO -0.01 0.40 -0.07 -0.31 -0.54 0.00 0.00 174.62 174.09 1ww4 s TYR 157 N -1.00 3.03 0.21 3.99 2.02 0.00 -1.99 117.35 123.62 1ww4 s TYR 157 Ca 0.17 -2.23 0.08 0.00 -0.37 0.00 0.00 57.07 54.73 1ww4 s TYR 157 Cb -0.11 -1.95 -0.05 0.00 -0.40 0.00 0.00 41.96 39.45 1ww4 s TYR 157 CO 0.08 -0.86 -0.15 0.95 -1.57 0.00 0.00 175.55 174.00 1ww4 s THR 158 N 1.18 1.82 0.00 -0.71 -4.23 -0.86 -0.56 115.64 112.28 1ww4 s THR 158 Ca -0.05 -2.23 0.00 0.00 -1.18 0.00 0.00 61.69 58.23 1ww4 s THR 158 Cb -0.19 -2.07 0.00 0.00 1.34 0.00 0.00 72.50 71.58 1ww4 s THR 158 CO -0.06 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.06 1ww4 n GLY 159 N -0.39 0.68 0.00 3.99 0.00 -1.26 -0.40 105.19 107.81 1ww4 n GLY 159 Ca -0.08 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 1.00 0.00 0.99 4.77 -1.26 -4.05 117.00 118.45 1ww4 n LEU 160 Ca 0.00 0.15 0.02 0.00 -0.03 0.00 0.00 56.01 56.14 1ww4 n LEU 160 Cb 0.01 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.20 1ww4 n LEU 160 CO 0.00 0.00 0.34 0.00 -1.33 0.00 0.00 177.39 176.40