#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wwt h SER 2 N 0.00 0.00 -4.45 1.61 0.87 -2.10 -3.50 113.55 105.97 1wwt h SER 2 Ca 0.00 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1wwt h SER 2 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1wwt h SER 2 CO 0.00 0.79 -0.85 -0.24 -0.53 0.00 0.00 176.83 176.00 1wwt n SER 3 N -4.67 -8.02 -3.69 6.23 2.88 -1.26 -5.07 113.62 100.01 1wwt n SER 3 Ca -0.07 1.55 -0.10 0.00 -1.33 0.00 0.00 58.87 58.92 1wwt n SER 3 Cb 0.25 -4.54 -0.11 0.00 -0.75 0.00 0.00 64.21 59.06 1wwt n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wwt s GLY 4 N -0.51 -0.34 0.17 0.46 0.00 -1.26 -5.15 107.32 100.70 1wwt s GLY 4 Ca -0.01 1.57 -0.30 0.00 0.00 0.00 0.00 44.72 45.98 1wwt s GLY 4 CO 0.03 1.71 0.94 -0.45 0.00 0.00 0.00 173.10 175.33 1wwt s SER 5 N 1.40 7.55 0.57 1.64 0.15 -1.26 -4.81 113.70 118.95 1wwt s SER 5 Ca -0.10 1.85 0.00 0.00 0.70 0.00 0.00 55.95 58.40 1wwt s SER 5 Cb -0.08 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 1wwt s SER 5 CO -0.13 0.05 0.00 -1.20 1.20 0.00 0.00 173.24 173.16 1wwt n SER 6 N 2.18 -8.47 0.00 5.45 7.64 -1.26 -5.04 113.62 114.11 1wwt n SER 6 Ca 0.00 1.70 0.00 0.00 1.01 0.00 0.00 58.87 61.58 1wwt n SER 6 Cb 0.48 -4.99 0.00 0.00 -1.01 0.00 0.00 64.21 58.70 1wwt n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wwt n GLY 7 N -2.13 -1.89 3.61 0.23 0.00 -1.26 -5.16 105.19 98.60 1wwt n GLY 7 Ca 0.00 0.88 -0.34 0.00 0.00 0.00 0.00 46.02 46.56 1wwt n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wwt n ASP 8 N 0.00 0.27 -4.33 1.61 8.00 -1.26 -4.92 116.55 115.92 1wwt n ASP 8 Ca 0.00 0.58 -0.33 0.00 0.71 0.00 0.00 54.79 55.75 1wwt n ASP 8 Cb 0.00 -1.41 0.13 0.00 -0.02 0.00 0.00 41.12 39.82 1wwt n ASP 8 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1wwt n SER 9 N -2.24 -2.50 -3.39 -2.24 2.88 -1.26 -5.03 113.62 99.84 1wwt n SER 9 Ca 0.12 0.17 -0.10 0.00 -1.33 0.00 0.00 58.87 57.73 1wwt n SER 9 Cb 0.50 -1.08 -0.02 0.00 -0.75 0.00 0.00 64.21 62.87 1wwt n SER 9 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1wwt s LYS 10 N -3.41 1.94 -0.21 -1.46 -2.85 -1.26 -4.92 119.74 107.56 1wwt s LYS 10 Ca 0.55 -1.41 -0.29 0.00 -1.00 0.00 0.00 55.97 53.82 1wwt s LYS 10 Cb -0.17 0.54 -0.01 0.00 -2.06 0.00 0.00 37.83 36.13 1wwt s LYS 10 CO 0.68 -0.86 1.30 -1.25 0.10 0.00 0.00 175.35 175.32 1wwt s PRO 11 N -3.13 4.10 0.23 1.78 0.04 -1.26 -1.10 135.00 135.66 1wwt s PRO 11 Ca 0.20 1.52 0.11 0.00 0.04 0.00 0.00 61.00 62.88 1wwt s PRO 11 Cb -0.03 -3.82 -0.05 0.00 0.04 0.00 0.00 34.50 30.64 1wwt s PRO 11 CO 0.12 -0.89 -0.21 0.96 0.04 0.00 0.00 177.00 177.03 1wwt s ILE 12 N 3.91 2.49 -0.09 0.56 -4.36 0.49 -4.90 121.20 119.30 1wwt s ILE 12 Ca 0.56 -2.15 -0.00 0.00 -0.26 0.00 0.00 60.65 58.81 1wwt s ILE 12 Cb -0.20 -2.24 -0.03 0.00 1.25 0.00 0.00 42.46 41.24 1wwt s ILE 12 CO 0.19 -0.23 -0.06 -0.75 0.24 0.00 0.00 174.94 174.32 1wwt s LYS 13 N -3.03 2.96 -0.10 0.37 2.47 -1.26 0.50 119.74 121.66 1wwt s LYS 13 Ca 0.25 -0.54 -0.01 0.00 -1.56 0.00 0.00 55.97 54.10 1wwt s LYS 13 Cb -0.07 -2.66 0.03 0.00 -1.46 0.00 0.00 37.83 33.67 1wwt s LYS 13 CO 0.12 0.56 -0.02 0.08 0.16 0.00 0.00 175.35 176.25 1wwt s VAL 14 N -0.53 0.65 0.21 4.02 1.01 -0.28 -1.83 120.40 123.65 1wwt s VAL 14 Ca 0.08 -0.12 -0.14 0.00 0.00 0.00 0.00 61.98 61.80 1wwt s VAL 14 Cb -0.12 -0.79 -0.08 0.00 0.00 0.00 0.00 36.38 35.39 1wwt s VAL 14 CO 0.02 0.24 0.61 -0.89 0.00 0.00 0.00 175.10 175.08 1wwt s THR 15 N 1.86 4.80 0.60 3.92 2.01 -1.18 -0.10 115.64 127.54 1wwt s THR 15 Ca 0.04 0.82 -0.08 0.00 0.31 0.00 0.00 61.69 62.78 1wwt s THR 15 Cb -0.13 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 1wwt s THR 15 CO -0.07 0.07 0.95 -0.76 -0.69 0.00 0.00 174.62 174.12 1wwt s LEU 16 N -2.39 3.24 0.00 4.42 1.43 0.14 -1.45 118.68 124.08 1wwt s LEU 16 Ca 0.44 1.00 0.20 0.00 -1.03 0.00 0.00 54.13 54.75 1wwt s LEU 16 Cb -0.13 -3.90 1.22 0.00 0.03 0.00 0.00 46.19 43.41 1wwt s LEU 16 CO 0.20 -0.98 1.64 -0.81 0.23 0.00 0.00 176.35 176.63 1wwt n PRO 17 N -2.65 0.75 -0.00 1.29 -0.04 -0.94 -1.87 135.00 131.54 1wwt n PRO 17 Ca 0.04 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.57 1wwt n PRO 17 Cb 0.56 -1.43 -0.09 0.00 -0.04 0.00 0.00 33.50 32.51 1wwt n PRO 17 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wwt n ASP 18 N -0.93 0.94 0.00 3.54 8.00 -1.26 -4.98 116.55 121.86 1wwt n ASP 18 Ca 0.15 -0.61 0.00 0.00 0.71 0.00 0.00 54.79 55.05 1wwt n ASP 18 Cb 0.07 1.19 0.00 0.00 -0.02 0.00 0.00 41.12 42.36 1wwt n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wwt n GLY 19 N 1.43 1.01 3.22 0.44 0.00 -0.78 -5.10 105.19 105.41 1wwt n GLY 19 Ca 0.01 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 1wwt n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wwt n LYS 20 N 0.00 -0.99 -4.24 1.61 4.81 -1.26 -4.49 118.16 113.60 1wwt n LYS 20 Ca 0.00 -0.27 -0.18 0.00 -0.87 0.00 0.00 58.31 56.99 1wwt n LYS 20 Cb 0.00 -1.53 -0.15 0.00 0.02 0.00 0.00 35.03 33.37 1wwt n LYS 20 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1wwt s GLN 21 N -3.08 0.65 0.24 1.64 -0.21 -1.26 0.28 119.66 117.92 1wwt s GLN 21 Ca 0.51 -0.21 0.05 0.00 0.02 0.00 0.00 55.36 55.73 1wwt s GLN 21 Cb -0.09 -0.64 -0.05 0.00 1.00 0.00 0.00 33.01 33.23 1wwt s GLN 21 CO 0.67 0.09 -0.05 0.08 -2.12 0.00 0.00 175.29 173.96 1wwt s VAL 22 N 0.15 1.34 -0.12 1.09 1.01 0.86 -4.94 120.40 119.80 1wwt s VAL 22 Ca -0.02 -2.09 -0.04 0.00 0.00 0.00 0.00 61.98 59.84 1wwt s VAL 22 Cb -0.06 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1wwt s VAL 22 CO -0.00 -0.39 0.03 -0.62 0.00 0.00 0.00 175.10 174.12 1wwt s ASP 23 N -3.34 5.45 0.30 3.32 -1.08 -1.26 -1.13 116.67 118.92 1wwt s ASP 23 Ca 0.27 0.16 0.04 0.00 -0.52 0.00 0.00 52.55 52.49 1wwt s ASP 23 Cb 0.04 -1.69 -0.03 0.00 -1.46 0.00 0.00 42.92 39.78 1wwt s ASP 23 CO 0.09 0.32 0.27 0.00 0.52 0.00 0.00 175.17 176.37 1wwt s ALA 24 N -0.53 1.52 -0.03 3.66 0.00 0.18 -4.89 121.76 121.66 1wwt s ALA 24 Ca 0.10 -1.89 0.02 0.00 0.00 0.00 0.00 51.96 50.19 1wwt s ALA 24 Cb -0.12 1.41 0.01 0.00 0.00 0.00 0.00 23.12 24.42 1wwt s ALA 24 CO 0.02 -0.66 -0.09 -1.21 0.00 0.00 0.00 175.76 173.82 1wwt s GLU 25 N -3.59 1.00 0.20 0.00 2.02 -1.26 0.19 118.70 117.25 1wwt s GLU 25 Ca 0.39 -0.30 -0.33 0.00 0.02 0.00 0.00 54.97 54.76 1wwt s GLU 25 Cb 0.03 -0.93 -0.13 0.00 0.10 0.00 0.00 34.13 33.20 1wwt s GLU 25 CO 0.22 0.09 1.63 -1.13 0.02 0.00 0.00 175.26 176.10 1wwt n SER 26 N 3.39 3.53 -3.87 -0.19 3.41 -0.26 -0.85 113.62 118.78 1wwt n SER 26 Ca -0.19 1.08 -0.29 0.00 -0.26 0.00 0.00 58.87 59.21 1wwt n SER 26 Cb 0.54 -1.50 0.03 0.00 -0.26 0.00 0.00 64.21 63.02 1wwt n SER 26 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1wwt n TRP 27 N 3.46 -2.38 0.10 7.33 7.02 -0.87 -4.06 117.44 128.05 1wwt n TRP 27 Ca 0.16 0.92 0.00 0.00 -1.02 0.00 0.00 57.50 57.56 1wwt n TRP 27 Cb 0.32 -4.13 0.00 0.00 -2.42 0.00 0.00 31.31 25.08 1wwt n TRP 27 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1wwt n LYS 28 N -4.73 0.00 -3.97 -0.99 5.02 -0.03 -4.92 118.16 108.55 1wwt n LYS 28 Ca 0.03 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.02 1wwt n LYS 28 Cb 0.53 -0.01 -0.05 0.00 -0.02 0.00 0.00 35.03 35.49 1wwt n LYS 28 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1wwt s THR 29 N -1.68 5.11 0.47 -0.18 2.01 -0.48 -4.94 115.64 115.95 1wwt s THR 29 Ca 0.00 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.47 1wwt s THR 29 Cb 0.00 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 1wwt s THR 29 CO 0.00 0.09 0.02 0.42 -0.69 0.00 0.00 174.62 174.46 1wwt s THR 30 N -1.52 1.35 -0.16 -0.82 -4.23 -1.26 -1.70 115.64 107.29 1wwt s THR 30 Ca 0.33 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.13 1wwt s THR 30 Cb -0.12 -2.43 0.37 0.00 1.34 0.00 0.00 72.50 71.65 1wwt s THR 30 CO 0.26 0.00 1.80 1.55 -0.54 0.00 0.00 174.62 177.69 1wwt h PRO 31 N 1.53 0.00 -0.15 3.99 0.13 -1.76 -2.78 132.00 132.96 1wwt h PRO 31 Ca -0.43 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.52 1wwt h PRO 31 Cb 1.29 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.43 1wwt h PRO 31 CO 0.75 0.00 -0.60 -0.92 -0.23 0.00 0.00 178.00 177.00 1wwt h TYR 32 N 0.00 0.90 0.21 1.56 3.20 -1.87 -3.07 116.97 117.89 1wwt h TYR 32 Ca -0.00 -0.38 -0.01 0.00 3.14 0.00 0.00 58.73 61.48 1wwt h TYR 32 Cb 0.76 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.88 1wwt h TYR 32 CO 0.00 1.18 -0.10 1.96 -1.64 0.00 0.00 178.16 179.56 1wwt h GLN 33 N 0.35 -0.27 -0.86 1.82 4.20 -1.83 -2.88 115.11 115.64 1wwt h GLN 33 Ca -0.03 0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.77 1wwt h GLN 33 Cb 1.23 0.06 -0.10 0.00 0.30 0.00 0.00 27.48 28.97 1wwt h GLN 33 CO 0.13 0.10 -0.51 -0.89 -0.67 0.00 0.00 178.83 176.99 1wwt n ILE 34 N -5.02 -0.58 -0.02 2.54 5.41 -1.05 0.19 119.36 120.82 1wwt n ILE 34 Ca -0.09 2.28 -0.02 0.00 1.00 0.00 0.00 62.75 65.92 1wwt n ILE 34 Cb 0.26 -2.83 -0.01 0.00 -0.71 0.00 0.00 39.64 36.34 1wwt n ILE 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wwt h ALA 35 N 0.29 -0.37 -0.83 -1.39 0.00 -1.60 -0.02 119.26 115.35 1wwt h ALA 35 Ca 0.14 -0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.21 1wwt h ALA 35 Cb 0.35 0.75 -0.16 0.00 0.00 0.00 0.00 17.79 18.73 1wwt h ALA 35 CO -0.81 -0.41 -0.23 0.00 0.00 0.00 0.00 179.25 177.81 1wwt n GLY 37 N -1.53 -2.25 0.00 0.00 0.00 0.49 -2.23 105.19 99.68 1wwt n GLY 37 Ca 0.12 1.02 0.00 0.00 0.00 0.00 0.00 46.02 47.16 1wwt n GLY 37 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wwt n ILE 38 N -5.06 0.00 -3.74 -0.61 5.41 0.24 -4.75 119.36 110.85 1wwt n ILE 38 Ca 0.02 0.87 -0.13 0.00 1.00 0.00 0.00 62.75 64.51 1wwt n ILE 38 Cb 0.22 -1.47 -0.13 0.00 -0.71 0.00 0.00 39.64 37.55 1wwt n ILE 38 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1wwt s SER 39 N -2.81 -0.20 -0.37 4.38 0.01 -0.95 -5.09 113.70 108.67 1wwt s SER 39 Ca 0.00 0.42 -0.31 0.00 1.31 0.00 0.00 55.95 57.37 1wwt s SER 39 Cb 0.00 0.32 -0.09 0.00 0.21 0.00 0.00 66.02 66.45 1wwt s SER 39 CO 0.00 -0.15 2.27 0.00 0.41 0.00 0.00 173.24 175.77 1wwt n GLN 40 N 4.07 1.26 0.00 12.44 3.00 -1.23 -2.25 117.38 134.67 1wwt n GLN 40 Ca -0.24 0.29 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 1wwt n GLN 40 Cb 0.53 -2.79 0.00 0.00 0.00 0.00 0.00 30.24 27.98 1wwt n GLN 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1wwt n GLY 41 N 6.24 3.24 0.21 1.08 0.00 -1.26 -4.98 105.19 109.72 1wwt n GLY 41 Ca 0.39 -0.45 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 1wwt n GLY 41 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wwt h LEU 42 N 0.00 -0.19 -2.38 0.99 6.46 -1.75 0.86 115.31 119.30 1wwt h LEU 42 Ca 0.00 0.12 -0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1wwt h LEU 42 Cb 0.00 0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.14 1wwt h LEU 42 CO 0.00 -0.06 -0.02 0.00 -0.62 0.00 0.00 178.44 177.73 1wwt h ALA 43 N 1.47 1.48 -0.33 1.25 0.00 -1.82 -1.33 119.26 119.97 1wwt h ALA 43 Ca 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1wwt h ALA 43 Cb 0.41 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1wwt h ALA 43 CO -0.43 0.03 0.17 0.22 0.00 0.00 0.00 179.25 179.23 1wwt h ASP 44 N 0.00 0.43 -2.37 0.00 3.58 0.37 -3.24 116.42 115.18 1wwt h ASP 44 Ca -0.00 -0.11 -0.77 0.00 0.42 0.00 0.00 57.03 56.57 1wwt h ASP 44 Cb 0.06 -0.11 -0.21 0.00 1.72 0.00 0.00 39.33 40.79 1wwt h ASP 44 CO 0.00 0.42 1.25 -0.46 -2.88 0.00 0.00 179.24 177.58 1wwt n ASN 45 N -4.76 5.42 -3.75 2.28 0.23 -0.50 -4.92 115.26 109.26 1wwt n ASN 45 Ca -0.01 -3.08 -0.13 0.00 -0.53 0.00 0.00 54.58 50.83 1wwt n ASN 45 Cb 0.10 -1.47 -0.11 0.00 -2.08 0.00 0.00 39.78 36.22 1wwt n ASN 45 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1wwt s THR 46 N 0.06 -0.01 -0.06 5.53 2.01 -1.23 -4.84 115.64 117.10 1wwt s THR 46 Ca 0.38 0.03 -0.02 0.00 0.31 0.00 0.00 61.69 62.38 1wwt s THR 46 Cb -0.00 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 72.00 1wwt s THR 46 CO -0.00 0.01 -0.08 0.55 -0.69 0.00 0.00 174.62 174.42 1wwt n VAL 47 N 3.22 0.36 -3.71 3.82 3.14 0.15 -4.98 118.33 120.34 1wwt n VAL 47 Ca -0.16 -0.10 -0.11 0.00 -2.96 0.00 0.00 64.34 61.01 1wwt n VAL 47 Cb 0.57 -1.35 -0.10 0.00 -1.06 0.00 0.00 33.84 31.90 1wwt n VAL 47 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1wwt s ILE 48 N -2.12 -0.02 -0.16 1.55 -1.09 -1.25 -4.95 121.20 113.17 1wwt s ILE 48 Ca -0.09 0.06 -0.11 0.00 -2.23 0.00 0.00 60.65 58.28 1wwt s ILE 48 Cb 0.03 -0.62 -0.05 0.00 -1.58 0.00 0.00 42.46 40.25 1wwt s ILE 48 CO 0.12 0.02 0.20 0.00 -1.23 0.00 0.00 174.94 174.06 1wwt s ALA 49 N 1.00 3.70 -0.03 9.38 0.00 -1.11 -0.11 121.76 134.59 1wwt s ALA 49 Ca -0.06 -0.57 -0.06 0.00 0.00 0.00 0.00 51.96 51.27 1wwt s ALA 49 Cb -0.06 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 1wwt s ALA 49 CO -0.08 0.25 0.21 0.15 0.00 0.00 0.00 175.76 176.30 1wwt s LYS 50 N 0.01 3.51 -0.33 0.00 1.02 0.15 0.19 119.74 124.29 1wwt s LYS 50 Ca 0.13 -0.15 -0.00 0.00 0.02 0.00 0.00 55.97 55.97 1wwt s LYS 50 Cb -0.12 -3.12 0.11 0.00 -0.52 0.00 0.00 37.83 34.18 1wwt s LYS 50 CO 0.02 0.69 0.12 0.08 -0.92 0.00 0.00 175.35 175.34 1wwt s VAL 51 N -1.23 0.97 0.00 3.17 1.01 0.22 -2.57 120.40 121.97 1wwt s VAL 51 Ca 0.24 -1.62 0.00 0.00 0.00 0.00 0.00 61.98 60.60 1wwt s VAL 51 Cb -0.13 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.52 1wwt s VAL 51 CO 0.14 -0.72 0.00 -3.20 0.00 0.00 0.00 175.10 171.32 1wwt n ASN 52 N 4.60 -1.99 0.00 3.32 2.85 -1.20 -3.21 115.26 119.63 1wwt n ASN 52 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1wwt n ASN 52 Cb 0.41 -0.42 0.00 0.00 1.24 0.00 0.00 39.78 41.00 1wwt n ASN 52 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1wwt n ASN 53 N 1.69 -2.55 -4.02 1.20 5.15 -1.26 -4.95 115.26 110.52 1wwt n ASN 53 Ca 0.00 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.76 1wwt n ASN 53 Cb 0.14 -0.45 -0.16 0.00 -0.53 0.00 0.00 39.78 38.78 1wwt n ASN 53 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1wwt s VAL 54 N -2.00 0.95 0.11 3.44 -7.23 -1.20 -5.10 120.40 109.38 1wwt s VAL 54 Ca 0.00 -0.43 -0.35 0.00 -1.81 0.00 0.00 61.98 59.40 1wwt s VAL 54 Cb 0.00 -0.86 -0.17 0.00 0.56 0.00 0.00 36.38 35.91 1wwt s VAL 54 CO 0.00 0.30 1.11 0.52 -0.31 0.00 0.00 175.10 176.72 1wwt n VAL 55 N 3.47 0.59 -4.02 1.32 0.31 -1.26 0.70 118.33 119.43 1wwt n VAL 55 Ca -0.20 -0.15 -0.11 0.00 -0.01 0.00 0.00 64.34 63.87 1wwt n VAL 55 Cb 0.53 -0.55 -0.12 0.00 -0.91 0.00 0.00 33.84 32.79 1wwt n VAL 55 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 1wwt s TRP 56 N -0.08 0.45 0.51 3.52 -0.11 0.51 -4.67 118.94 119.07 1wwt s TRP 56 Ca 0.79 -0.46 -0.10 0.00 1.22 0.00 0.00 56.10 57.55 1wwt s TRP 56 Cb -0.98 -0.28 -0.05 0.00 -1.50 0.00 0.00 33.47 30.65 1wwt s TRP 56 CO 0.53 -0.12 0.89 -0.51 -4.62 0.00 0.00 176.95 173.11 1wwt s ASP 57 N -1.37 6.38 0.08 5.86 1.01 -1.26 -2.74 116.67 124.63 1wwt s ASP 57 Ca -0.11 1.23 0.09 0.00 0.71 0.00 0.00 52.55 54.47 1wwt s ASP 57 Cb -0.09 -2.37 -0.20 0.00 1.01 0.00 0.00 42.92 41.27 1wwt s ASP 57 CO -0.00 -0.62 1.11 -0.07 0.21 0.00 0.00 175.17 175.80 1wwt h LEU 58 N 0.43 0.00 0.00 1.23 3.38 -1.96 -3.20 115.31 115.19 1wwt h LEU 58 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1wwt h LEU 58 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1wwt h LEU 58 CO 0.62 0.96 -0.27 0.44 0.09 0.00 0.00 178.44 180.29 1wwt h ASP 59 N 0.00 0.00 -3.52 -0.43 5.19 -2.00 -3.31 116.42 112.35 1wwt h ASP 59 Ca -0.09 -0.07 -0.61 0.00 -0.62 0.00 0.00 57.03 55.64 1wwt h ASP 59 Cb 1.81 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 41.20 1wwt h ASP 59 CO 0.11 0.04 -0.11 -0.60 -3.12 0.00 0.00 179.24 175.56 1wwt s ARG 60 N -3.15 4.14 0.43 3.56 3.52 -1.21 -5.02 118.95 121.21 1wwt s ARG 60 Ca 0.08 0.28 -0.23 0.00 -0.13 0.00 0.00 55.73 55.73 1wwt s ARG 60 Cb 0.12 -3.58 -0.09 0.00 -1.56 0.00 0.00 34.95 29.83 1wwt s ARG 60 CO 0.66 -0.17 1.05 -1.25 -0.81 0.00 0.00 175.30 174.78 1wwt s PRO 61 N 1.72 4.03 1.14 5.12 0.04 -1.26 -4.37 135.00 141.43 1wwt s PRO 61 Ca 0.21 1.47 -0.17 0.00 0.04 0.00 0.00 61.00 62.55 1wwt s PRO 61 Cb -0.15 -2.39 0.18 0.00 0.04 0.00 0.00 34.50 32.17 1wwt s PRO 61 CO 0.09 -0.25 0.29 1.28 0.04 0.00 0.00 177.00 178.45 1wwt n LEU 62 N -0.38 -1.75 -0.06 -3.56 7.99 -0.69 -4.59 117.00 113.97 1wwt n LEU 62 Ca 0.06 -0.32 -0.08 0.00 -0.01 0.00 0.00 56.01 55.67 1wwt n LEU 62 Cb 0.50 -0.92 -0.06 0.00 -0.11 0.00 0.00 43.42 42.83 1wwt n LEU 62 CO 0.43 -3.35 -0.89 -0.62 -1.51 0.00 0.00 177.39 171.46 1wwt n GLU 63 N -2.69 0.69 -1.16 3.23 1.02 -1.26 -2.04 120.64 118.42 1wwt n GLU 63 Ca 0.04 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1wwt n GLU 63 Cb 0.53 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 1wwt n GLU 63 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1wwt n GLU 64 N -2.77 0.00 -1.44 3.49 0.28 -1.26 -4.53 120.64 114.41 1wwt n GLU 64 Ca -0.21 0.00 -0.50 0.00 -0.16 0.00 0.00 57.16 56.29 1wwt n GLU 64 Cb 0.75 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.54 1wwt n GLU 64 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1wwt n ASP 65 N -0.32 2.02 -2.89 -1.84 5.75 -1.26 -4.69 116.55 113.32 1wwt n ASP 65 Ca 0.00 0.39 -0.13 0.00 -0.01 0.00 0.00 54.79 55.05 1wwt n ASP 65 Cb 0.00 -1.25 -0.01 0.00 -1.03 0.00 0.00 41.12 38.83 1wwt n ASP 65 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wwt s THR 67 N -2.61 2.65 -0.06 0.00 -4.23 -1.26 -3.12 115.64 107.00 1wwt s THR 67 Ca 0.25 -0.91 -0.02 0.00 -1.18 0.00 0.00 61.69 59.82 1wwt s THR 67 Cb -0.02 -2.74 0.04 0.00 1.34 0.00 0.00 72.50 71.12 1wwt s THR 67 CO 0.18 0.00 0.12 -0.22 -0.54 0.00 0.00 174.62 174.16 1wwt s LEU 68 N -4.57 0.44 -0.04 4.79 2.96 -0.53 -3.21 118.68 118.53 1wwt s LEU 68 Ca 0.58 0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 54.71 1wwt s LEU 68 Cb -0.09 0.19 0.03 0.00 0.50 0.00 0.00 46.19 46.83 1wwt s LEU 68 CO 0.36 -0.19 0.05 -0.70 -1.32 0.00 0.00 176.35 174.55 1wwt s GLU 69 N 1.66 0.03 -0.01 1.98 2.12 -1.06 -2.21 118.70 121.21 1wwt s GLU 69 Ca -0.03 0.32 -0.25 0.00 0.36 0.00 0.00 54.97 55.37 1wwt s GLU 69 Cb -0.12 -0.57 -0.04 0.00 0.26 0.00 0.00 34.13 33.66 1wwt s GLU 69 CO -0.05 -0.32 0.78 -0.51 -0.54 0.00 0.00 175.26 174.63 1wwt s LEU 70 N 2.07 4.38 0.18 2.70 2.01 -1.26 -0.67 118.68 128.09 1wwt s LEU 70 Ca 0.04 1.38 0.00 0.00 0.01 0.00 0.00 54.13 55.57 1wwt s LEU 70 Cb -0.12 -3.24 -0.04 0.00 0.01 0.00 0.00 46.19 42.80 1wwt s LEU 70 CO -0.03 -0.10 0.35 -0.76 1.01 0.00 0.00 176.35 176.83 1wwt s LEU 71 N 0.52 4.26 -0.17 1.79 1.02 0.84 -4.95 118.68 121.99 1wwt s LEU 71 Ca 0.41 0.32 0.08 0.00 0.02 0.00 0.00 54.13 54.96 1wwt s LEU 71 Cb -0.19 -3.08 -0.23 0.00 0.02 0.00 0.00 46.19 42.71 1wwt s LEU 71 CO 0.22 -0.01 0.16 1.17 0.02 0.00 0.00 176.35 177.91 1wwt n LYS 72 N -0.62 0.68 -3.64 1.70 0.00 -1.26 0.33 118.16 115.34 1wwt n LYS 72 Ca -0.05 0.15 -0.08 0.00 0.00 0.00 0.00 58.31 58.32 1wwt n LYS 72 Cb 0.54 -1.61 -0.07 0.00 0.00 0.00 0.00 35.03 33.89 1wwt n LYS 72 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1wwt s PHE 73 N -2.53 -0.43 0.38 5.64 5.36 -1.26 -4.48 117.98 120.66 1wwt s PHE 73 Ca -0.18 1.03 0.08 0.00 -0.96 0.00 0.00 56.93 56.90 1wwt s PHE 73 Cb 0.07 0.38 -0.05 0.00 -0.34 0.00 0.00 43.02 43.08 1wwt s PHE 73 CO 0.75 -0.21 0.13 -1.21 -1.46 0.00 0.00 175.22 173.23 1wwt s GLU 74 N 0.28 2.21 -0.48 10.12 2.02 -1.26 -5.03 118.70 126.57 1wwt s GLU 74 Ca 0.03 -1.77 -0.01 0.00 0.02 0.00 0.00 54.97 53.24 1wwt s GLU 74 Cb -0.05 -2.00 0.13 0.00 0.10 0.00 0.00 34.13 32.31 1wwt s GLU 74 CO -0.08 -0.01 0.26 0.34 0.02 0.00 0.00 175.26 175.79 1wwt s ASP 75 N -3.84 5.05 0.26 -0.19 2.15 -1.26 -5.05 116.67 113.79 1wwt s ASP 75 Ca 0.39 -2.42 -0.07 0.00 0.43 0.00 0.00 52.55 50.88 1wwt s ASP 75 Cb 0.02 -1.78 -0.01 0.00 -0.30 0.00 0.00 42.92 40.84 1wwt s ASP 75 CO 0.22 -0.43 0.38 -1.61 -0.17 0.00 0.00 175.17 173.56 1wwt s GLU 76 N 0.56 1.56 -0.05 4.34 0.41 -1.26 -5.08 118.70 119.18 1wwt s GLU 76 Ca 0.12 -1.50 -0.23 0.00 -0.41 0.00 0.00 54.97 52.95 1wwt s GLU 76 Cb -0.22 0.41 -0.18 0.00 -1.78 0.00 0.00 34.13 32.36 1wwt s GLU 76 CO -0.04 -0.62 0.97 0.93 -0.49 0.00 0.00 175.26 176.01 1wwt h GLU 77 N 2.31 -0.13 0.00 1.61 3.07 -2.04 -3.49 114.58 115.92 1wwt h GLU 77 Ca -0.29 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.58 1wwt h GLU 77 Cb 1.25 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 1wwt h GLU 77 CO 0.41 0.39 0.00 0.00 -1.40 0.00 0.00 179.01 178.41 1wwt n ALA 78 N -2.51 0.00 -3.36 3.43 0.00 -1.26 -5.09 120.51 111.73 1wwt n ALA 78 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.00 1wwt n ALA 78 Cb 0.29 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.77 1wwt n ALA 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wwt n GLN 79 N -1.37 -1.76 0.00 0.00 6.02 -1.26 -3.70 117.38 115.31 1wwt n GLN 79 Ca 0.00 1.31 0.00 0.00 -0.01 0.00 0.00 57.00 58.30 1wwt n GLN 79 Cb 0.00 -1.84 0.00 0.00 1.02 0.00 0.00 30.24 29.42 1wwt n GLN 79 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wwt n ALA 80 N -0.12 0.00 -0.32 -1.58 0.00 -1.26 -4.71 120.51 112.51 1wwt n ALA 80 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1wwt n ALA 80 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1wwt n ALA 80 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1wwt n VAL 81 N 0.00 0.00 -1.19 0.00 3.14 -1.24 -4.91 118.33 114.12 1wwt n VAL 81 Ca 0.00 0.00 0.06 0.00 -2.96 0.00 0.00 64.34 61.44 1wwt n VAL 81 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 1wwt n VAL 81 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 1wwt n TYR 82 N -2.00 -2.35 -3.16 1.45 4.02 -1.26 -4.89 117.16 108.96 1wwt n TYR 82 Ca 0.00 0.57 -0.00 0.00 -0.01 0.00 0.00 57.90 58.46 1wwt n TYR 82 Cb 0.00 -1.01 -0.00 0.00 -0.02 0.00 0.00 39.34 38.31 1wwt n TYR 82 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1wwt n SER 83 N -4.13 -6.65 -4.81 7.72 7.64 -1.26 -4.90 113.62 107.23 1wwt n SER 83 Ca 0.00 0.46 -0.31 0.00 1.01 0.00 0.00 58.87 60.03 1wwt n SER 83 Cb 0.21 -1.77 0.05 0.00 -1.01 0.00 0.00 64.21 61.69 1wwt n SER 83 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wwt s GLY 84 N -1.02 1.69 -0.37 0.23 0.00 -1.26 -4.96 107.32 101.62 1wwt s GLY 84 Ca -0.00 0.13 -0.29 0.00 0.00 0.00 0.00 44.72 44.56 1wwt s GLY 84 CO 0.04 0.44 1.39 2.56 0.00 0.00 0.00 173.10 177.53 1wwt s PRO 85 N -4.98 3.70 -0.30 2.90 0.04 -1.26 -4.89 135.00 130.21 1wwt s PRO 85 Ca 0.59 1.07 -0.13 0.00 0.04 0.00 0.00 61.00 62.57 1wwt s PRO 85 Cb -0.15 -3.98 0.18 0.00 0.04 0.00 0.00 34.50 30.60 1wwt s PRO 85 CO 0.54 -1.41 1.10 -1.12 0.04 0.00 0.00 177.00 176.15 1wwt s SER 86 N 3.57 -0.26 -0.28 6.66 0.01 -1.26 -5.16 113.70 116.98 1wwt s SER 86 Ca 0.60 0.00 -0.16 0.00 1.31 0.00 0.00 55.95 57.71 1wwt s SER 86 Cb -0.15 1.02 0.09 0.00 0.21 0.00 0.00 66.02 67.20 1wwt s SER 86 CO 0.29 -0.04 0.73 -0.94 0.41 0.00 0.00 173.24 173.69 1wwt s SER 87 N 2.81 -0.89 0.00 2.44 1.04 -1.26 -5.24 113.70 112.59 1wwt s SER 87 Ca 0.28 1.41 0.00 0.00 0.48 0.00 0.00 55.95 58.12 1wwt s SER 87 Cb -0.00 1.40 0.00 0.00 0.10 0.00 0.00 66.02 67.52 1wwt s SER 87 CO -0.21 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.39