#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wwt n SER 2 N 0.00 -9.07 -3.25 1.61 7.64 -1.26 -1.70 113.62 107.59 1wwt n SER 2 Ca 0.00 1.37 -0.11 0.00 1.01 0.00 0.00 58.87 61.15 1wwt n SER 2 Cb 0.00 -5.08 0.01 0.00 -1.01 0.00 0.00 64.21 58.14 1wwt n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wwt n SER 3 N 1.65 -6.35 0.00 6.43 2.88 -1.26 -3.27 113.62 113.70 1wwt n SER 3 Ca 0.00 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 1wwt n SER 3 Cb 0.00 -1.79 0.00 0.00 -0.75 0.00 0.00 64.21 61.67 1wwt n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wwt n GLY 4 N 0.85 1.06 2.95 0.46 0.00 -1.26 -4.03 105.19 105.22 1wwt n GLY 4 Ca -0.02 0.44 0.03 0.00 0.00 0.00 0.00 46.02 46.47 1wwt n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wwt s SER 5 N -4.00 -0.42 -0.10 1.61 0.15 -1.21 -2.56 113.70 107.17 1wwt s SER 5 Ca 0.00 -0.10 -0.10 0.00 0.70 0.00 0.00 55.95 56.45 1wwt s SER 5 Cb 0.00 0.85 -0.03 0.00 -1.71 0.00 0.00 66.02 65.13 1wwt s SER 5 CO 0.00 -0.06 -0.20 -1.20 1.20 0.00 0.00 173.24 172.98 1wwt n SER 6 N 4.33 1.12 0.00 5.45 7.64 -0.69 -4.85 113.62 126.62 1wwt n SER 6 Ca 0.07 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1wwt n SER 6 Cb 0.61 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 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 1.49 -0.75 3.94 0.23 0.00 -1.24 -4.98 105.19 103.88 1wwt n GLY 7 Ca -0.08 -1.72 -0.21 0.00 0.00 0.00 0.00 46.02 44.01 1wwt n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wwt s ASP 8 N -1.73 6.14 0.30 1.61 -4.77 -1.26 -5.00 116.67 111.96 1wwt s ASP 8 Ca 0.00 -0.01 0.00 0.00 -3.30 0.00 0.00 52.55 49.24 1wwt s ASP 8 Cb 0.00 -1.73 0.00 0.00 -1.09 0.00 0.00 42.92 40.10 1wwt s ASP 8 CO 0.00 -0.09 0.00 -0.24 0.70 0.00 0.00 175.17 175.54 1wwt n SER 9 N -1.38 -7.07 -3.47 2.11 2.88 -1.26 -5.01 113.62 100.41 1wwt n SER 9 Ca -0.08 0.53 -0.12 0.00 -1.33 0.00 0.00 58.87 57.88 1wwt n SER 9 Cb 0.57 -3.76 -0.03 0.00 -0.75 0.00 0.00 64.21 60.24 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 -2.21 1.04 -0.43 -1.46 -2.85 -1.26 -4.93 119.74 107.64 1wwt s LYS 10 Ca 0.00 -0.26 -0.29 0.00 -1.00 0.00 0.00 55.97 54.42 1wwt s LYS 10 Cb 0.00 0.48 0.01 0.00 -2.06 0.00 0.00 37.83 36.26 1wwt s LYS 10 CO 0.00 -0.43 1.42 -1.25 0.10 0.00 0.00 175.35 175.19 1wwt s PRO 11 N -2.97 3.52 0.37 1.78 0.04 -1.26 -0.19 135.00 136.30 1wwt s PRO 11 Ca 0.00 0.88 0.07 0.00 0.04 0.00 0.00 61.00 61.99 1wwt s PRO 11 Cb -0.01 -4.04 -0.02 0.00 0.04 0.00 0.00 34.50 30.47 1wwt s PRO 11 CO -0.07 -1.63 0.37 0.96 0.04 0.00 0.00 177.00 176.66 1wwt s ILE 12 N 5.57 3.28 -0.10 0.56 -4.36 0.51 -4.93 121.20 121.72 1wwt s ILE 12 Ca 0.60 -1.28 0.03 0.00 -0.26 0.00 0.00 60.65 59.74 1wwt s ILE 12 Cb -0.13 -3.14 -0.01 0.00 1.25 0.00 0.00 42.46 40.43 1wwt s ILE 12 CO 0.32 -0.10 -0.19 -0.54 0.24 0.00 0.00 174.94 174.66 1wwt s LYS 13 N -4.09 3.10 -0.13 0.37 -0.14 -1.26 -0.06 119.74 117.52 1wwt s LYS 13 Ca 0.45 -0.79 0.01 0.00 -1.36 0.00 0.00 55.97 54.28 1wwt s LYS 13 Cb -0.06 -2.42 0.02 0.00 -1.68 0.00 0.00 37.83 33.69 1wwt s LYS 13 CO 0.28 0.24 -0.14 0.08 -0.76 0.00 0.00 175.35 175.05 1wwt s VAL 14 N 0.22 1.49 -0.14 3.17 1.01 -0.48 -1.98 120.40 123.69 1wwt s VAL 14 Ca -0.12 -0.61 -0.15 0.00 0.00 0.00 0.00 61.98 61.10 1wwt s VAL 14 Cb -0.16 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1wwt s VAL 14 CO 0.07 0.44 0.36 -0.89 0.00 0.00 0.00 175.10 175.08 1wwt s THR 15 N 1.27 5.26 0.85 3.92 2.01 -1.21 -0.04 115.64 127.69 1wwt s THR 15 Ca -0.01 0.69 -0.10 0.00 0.31 0.00 0.00 61.69 62.58 1wwt s THR 15 Cb -0.14 -3.70 0.10 0.00 0.01 0.00 0.00 72.50 68.78 1wwt s THR 15 CO -0.06 0.37 1.11 -0.76 -0.69 0.00 0.00 174.62 174.58 1wwt s LEU 16 N 0.52 2.82 0.00 4.42 1.43 0.32 -1.68 118.68 126.51 1wwt s LEU 16 Ca 0.20 1.91 0.20 0.00 -1.03 0.00 0.00 54.13 55.41 1wwt s LEU 16 Cb -0.14 -4.44 1.17 0.00 0.03 0.00 0.00 46.19 42.81 1wwt s LEU 16 CO 0.06 -2.55 1.61 -0.81 0.23 0.00 0.00 176.35 174.89 1wwt n PRO 17 N -3.86 0.75 -0.00 1.29 -0.04 -1.10 -1.87 135.00 130.17 1wwt n PRO 17 Ca 0.10 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.64 1wwt n PRO 17 Cb 0.53 -1.41 -0.11 0.00 -0.04 0.00 0.00 33.50 32.47 1wwt n PRO 17 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wwt n ASP 18 N -0.91 0.84 0.00 3.54 2.03 -1.26 -4.98 116.55 115.81 1wwt n ASP 18 Ca 0.15 -0.63 0.00 0.00 0.52 0.00 0.00 54.79 54.82 1wwt n ASP 18 Cb 0.07 1.25 0.00 0.00 -0.72 0.00 0.00 41.12 41.72 1wwt n ASP 18 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wwt n GLY 19 N 1.43 1.18 3.48 0.27 0.00 -0.78 -5.09 105.19 105.69 1wwt n GLY 19 Ca 0.01 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 1wwt n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wwt n LYS 20 N 0.00 -0.48 -4.37 1.61 4.76 -1.26 -4.57 118.16 113.86 1wwt n LYS 20 Ca 0.00 -0.09 -0.27 0.00 -2.87 0.00 0.00 58.31 55.08 1wwt n LYS 20 Cb 0.00 -2.01 -0.13 0.00 -1.84 0.00 0.00 35.03 31.05 1wwt n LYS 20 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1wwt s GLN 21 N -3.94 1.34 0.12 1.97 -0.21 -1.26 0.12 119.66 117.80 1wwt s GLN 21 Ca 0.60 -1.34 -0.02 0.00 0.02 0.00 0.00 55.36 54.63 1wwt s GLN 21 Cb -0.21 -1.73 -0.04 0.00 1.00 0.00 0.00 33.01 32.03 1wwt s GLN 21 CO 0.65 0.40 0.07 0.08 -2.12 0.00 0.00 175.29 174.37 1wwt s VAL 22 N -1.24 0.11 -0.16 1.09 1.01 0.94 -4.88 120.40 117.27 1wwt s VAL 22 Ca 0.13 -1.83 -0.06 0.00 0.00 0.00 0.00 61.98 60.22 1wwt s VAL 22 Cb -0.09 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1wwt s VAL 22 CO 0.06 -0.52 0.05 -1.81 0.00 0.00 0.00 175.10 172.88 1wwt s ASP 23 N -3.02 5.54 0.34 3.32 1.11 -1.26 -1.38 116.67 121.31 1wwt s ASP 23 Ca 0.21 0.11 0.04 0.00 0.18 0.00 0.00 52.55 53.09 1wwt s ASP 23 Cb 0.07 -1.87 -0.03 0.00 1.07 0.00 0.00 42.92 42.16 1wwt s ASP 23 CO -0.00 0.23 0.19 0.00 1.18 0.00 0.00 175.17 176.77 1wwt s ALA 24 N 0.01 2.16 -0.02 5.23 0.00 0.91 -4.90 121.76 125.15 1wwt s ALA 24 Ca 0.05 -1.71 0.01 0.00 0.00 0.00 0.00 51.96 50.31 1wwt s ALA 24 Cb -0.12 1.15 0.01 0.00 0.00 0.00 0.00 23.12 24.16 1wwt s ALA 24 CO 0.01 -0.51 -0.04 -1.21 0.00 0.00 0.00 175.76 174.01 1wwt s GLU 25 N -3.69 0.59 0.25 0.00 2.02 -1.26 0.19 118.70 116.80 1wwt s GLU 25 Ca 0.34 -0.12 -0.31 0.00 0.02 0.00 0.00 54.97 54.90 1wwt s GLU 25 Cb 0.04 -0.61 -0.12 0.00 0.10 0.00 0.00 34.13 33.53 1wwt s GLU 25 CO 0.20 0.00 1.64 -1.13 0.02 0.00 0.00 175.26 175.98 1wwt n SER 26 N 3.57 3.80 -3.27 -0.19 3.41 0.74 -0.86 113.62 120.82 1wwt n SER 26 Ca -0.20 1.11 -0.23 0.00 -0.26 0.00 0.00 58.87 59.28 1wwt n SER 26 Cb 0.54 -1.56 0.02 0.00 -0.26 0.00 0.00 64.21 62.94 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 2.96 -1.92 0.12 7.33 7.02 -0.97 -4.03 117.44 127.94 1wwt n TRP 27 Ca 0.12 0.53 0.00 0.00 -1.02 0.00 0.00 57.50 57.13 1wwt n TRP 27 Cb 0.35 -3.67 0.00 0.00 -2.42 0.00 0.00 31.31 25.57 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 -3.94 0.00 -4.03 -0.99 5.02 -0.04 -4.96 118.16 109.22 1wwt n LYS 28 Ca -0.05 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.98 1wwt n LYS 28 Cb 0.57 -0.10 -0.05 0.00 -0.02 0.00 0.00 35.03 35.43 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 -1.91 4.80 0.41 -0.18 2.01 -0.22 -4.94 115.64 115.60 1wwt s THR 29 Ca 0.00 -0.93 0.04 0.00 0.31 0.00 0.00 61.69 61.11 1wwt s THR 29 Cb 0.00 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 1wwt s THR 29 CO 0.00 -0.10 0.05 0.42 -0.69 0.00 0.00 174.62 174.31 1wwt s THR 30 N -1.74 1.20 -0.18 -0.82 -4.23 -1.26 -1.81 115.64 106.79 1wwt s THR 30 Ca 0.32 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.12 1wwt s THR 30 Cb -0.10 -2.55 0.36 0.00 1.34 0.00 0.00 72.50 71.54 1wwt s THR 30 CO 0.25 0.00 1.80 1.55 -0.54 0.00 0.00 174.62 177.68 1wwt h PRO 31 N 1.76 0.00 -0.08 3.99 0.13 -1.77 -2.73 132.00 133.29 1wwt h PRO 31 Ca -0.41 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.51 1wwt h PRO 31 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1wwt h PRO 31 CO 0.70 0.00 -0.82 -0.92 -0.23 0.00 0.00 178.00 176.73 1wwt h TYR 32 N 0.00 0.76 0.14 1.56 3.20 -1.87 -3.09 116.97 117.67 1wwt h TYR 32 Ca 0.00 -0.36 -0.01 0.00 3.14 0.00 0.00 58.73 61.50 1wwt h TYR 32 Cb 0.74 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.91 1wwt h TYR 32 CO 0.00 1.16 -0.07 1.96 -1.64 0.00 0.00 178.16 179.57 1wwt h GLN 33 N 0.36 -0.18 -0.98 1.82 4.20 -1.83 -2.97 115.11 115.52 1wwt h GLN 33 Ca -0.06 0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.76 1wwt h GLN 33 Cb 1.43 0.04 -0.13 0.00 0.30 0.00 0.00 27.48 29.13 1wwt h GLN 33 CO 0.15 0.27 -0.55 0.82 -0.67 0.00 0.00 178.83 178.85 1wwt h ILE 34 N -0.86 0.00 -0.22 2.54 2.04 -1.59 0.25 117.51 119.68 1wwt h ILE 34 Ca -0.02 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.88 1wwt h ILE 34 Cb 0.54 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.55 1wwt h ILE 34 CO 0.03 0.00 -0.53 0.00 0.00 0.00 0.00 178.15 177.66 1wwt h ALA 35 N 0.63 -0.80 -0.94 1.87 0.00 -1.63 0.24 119.26 118.62 1wwt h ALA 35 Ca 0.19 -0.03 0.25 0.00 0.00 0.00 0.00 54.91 55.32 1wwt h ALA 35 Cb 0.45 1.00 -0.17 0.00 0.00 0.00 0.00 17.79 19.07 1wwt h ALA 35 CO -0.94 -1.05 0.05 0.00 0.00 0.00 0.00 179.25 177.31 1wwt h GLY 37 N 0.05 -0.26 0.00 0.00 0.00 0.23 -2.32 103.07 100.77 1wwt h GLY 37 Ca 0.57 0.50 0.00 0.00 0.00 0.00 0.00 47.33 48.40 1wwt h GLY 37 CO -0.85 -0.18 0.00 1.39 0.00 0.00 0.00 176.54 176.89 1wwt n ILE 38 N -5.42 0.00 -3.61 2.60 -0.00 0.17 -4.69 119.36 108.41 1wwt n ILE 38 Ca 0.04 1.42 -0.01 0.00 -0.00 0.00 0.00 62.75 64.19 1wwt n ILE 38 Cb 0.36 -1.94 -0.04 0.00 -0.00 0.00 0.00 39.64 38.02 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 -2.97 -1.01 -0.54 4.38 0.01 -0.88 -5.10 113.70 107.59 1wwt s SER 39 Ca 0.00 1.42 -0.39 0.00 1.31 0.00 0.00 55.95 58.29 1wwt s SER 39 Cb 0.00 2.06 -0.17 0.00 0.21 0.00 0.00 66.02 68.12 1wwt s SER 39 CO 0.00 -0.20 2.25 0.00 0.41 0.00 0.00 173.24 175.70 1wwt n GLN 40 N 5.19 0.32 0.00 12.44 6.02 -1.18 -1.74 117.38 138.43 1wwt n GLN 40 Ca -0.13 0.08 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1wwt n GLN 40 Cb 0.51 -1.82 0.00 0.00 1.02 0.00 0.00 30.24 29.95 1wwt n GLN 40 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wwt n GLY 41 N 7.05 3.80 0.16 1.08 0.00 -1.26 -4.98 105.19 111.03 1wwt n GLY 41 Ca 0.52 -0.56 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.28 -1.15 0.99 6.46 -1.64 0.13 115.31 119.82 1wwt h LEU 42 Ca 0.00 -0.06 0.16 0.00 -0.12 0.00 0.00 57.88 57.86 1wwt h LEU 42 Cb 0.00 0.07 -0.09 0.00 -0.73 0.00 0.00 40.66 39.92 1wwt h LEU 42 CO 0.00 -0.12 0.61 0.00 -0.62 0.00 0.00 178.44 178.31 1wwt h ALA 43 N 0.32 1.74 -0.02 1.25 0.00 -1.79 0.64 119.26 121.40 1wwt h ALA 43 Ca -0.03 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1wwt h ALA 43 Cb 0.32 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1wwt h ALA 43 CO 0.05 -0.04 -0.48 0.22 0.00 0.00 0.00 179.25 179.01 1wwt h ASP 44 N 0.76 0.05 -2.79 0.00 3.58 -1.79 -3.26 116.42 112.98 1wwt h ASP 44 Ca 0.51 -0.02 -0.78 0.00 0.42 0.00 0.00 57.03 57.15 1wwt h ASP 44 Cb 0.77 -0.02 -0.30 0.00 1.72 0.00 0.00 39.33 41.51 1wwt h ASP 44 CO -0.28 0.52 0.59 0.59 -2.88 0.00 0.00 179.24 177.79 1wwt n ASN 45 N -3.97 6.08 -3.98 2.28 3.02 0.22 -4.97 115.26 113.94 1wwt n ASN 45 Ca -0.02 -3.43 -0.11 0.00 -0.03 0.00 0.00 54.58 50.99 1wwt n ASN 45 Cb 0.50 -1.18 -0.12 0.00 -0.61 0.00 0.00 39.78 38.37 1wwt n ASN 45 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1wwt s THR 46 N -2.82 0.24 -0.04 3.41 2.01 -1.18 -4.83 115.64 112.43 1wwt s THR 46 Ca 0.33 -0.74 -0.06 0.00 0.31 0.00 0.00 61.69 61.53 1wwt s THR 46 Cb 0.07 -0.32 -0.02 0.00 0.01 0.00 0.00 72.50 72.24 1wwt s THR 46 CO 0.09 -0.33 -0.11 0.52 -0.69 0.00 0.00 174.62 174.10 1wwt n VAL 47 N 1.94 0.67 -3.70 3.82 0.31 -1.22 -5.02 118.33 115.13 1wwt n VAL 47 Ca -0.21 0.28 -0.12 0.00 -0.01 0.00 0.00 64.34 64.29 1wwt n VAL 47 Cb 0.56 -1.70 -0.12 0.00 -0.91 0.00 0.00 33.84 31.67 1wwt n VAL 47 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1wwt s ILE 48 N -1.77 -0.19 -0.03 2.52 -1.09 -1.26 -4.78 121.20 114.60 1wwt s ILE 48 Ca -0.09 0.18 -0.17 0.00 -2.23 0.00 0.00 60.65 58.34 1wwt s ILE 48 Cb 0.01 -0.46 -0.05 0.00 -1.58 0.00 0.00 42.46 40.38 1wwt s ILE 48 CO 0.14 0.07 0.46 0.00 -1.23 0.00 0.00 174.94 174.38 1wwt s ALA 49 N 1.71 3.59 -0.03 9.38 0.00 -1.22 -0.51 121.76 134.69 1wwt s ALA 49 Ca -0.06 -0.17 -0.05 0.00 0.00 0.00 0.00 51.96 51.68 1wwt s ALA 49 Cb -0.11 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 1wwt s ALA 49 CO -0.10 0.28 0.21 0.15 0.00 0.00 0.00 175.76 176.31 1wwt s LYS 50 N -0.42 3.50 -0.34 0.00 1.02 0.25 0.95 119.74 124.70 1wwt s LYS 50 Ca 0.25 -0.17 0.00 0.00 0.02 0.00 0.00 55.97 56.08 1wwt s LYS 50 Cb -0.16 -3.11 0.11 0.00 -0.52 0.00 0.00 37.83 34.14 1wwt s LYS 50 CO 0.13 0.69 0.12 0.08 -0.92 0.00 0.00 175.35 175.45 1wwt s VAL 51 N -1.25 1.18 0.00 3.17 1.01 0.33 -2.50 120.40 122.35 1wwt s VAL 51 Ca 0.25 -1.77 0.00 0.00 0.00 0.00 0.00 61.98 60.45 1wwt s VAL 51 Cb -0.13 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.37 1wwt s VAL 51 CO 0.14 -0.71 0.00 -3.20 0.00 0.00 0.00 175.10 171.33 1wwt n ASN 52 N 4.50 -1.92 0.00 3.32 2.85 -0.87 -3.04 115.26 120.08 1wwt n ASN 52 Ca 0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 1wwt n ASN 52 Cb 0.40 -0.47 0.00 0.00 1.24 0.00 0.00 39.78 40.96 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 1.87 -2.67 -4.05 1.20 2.85 -1.26 -4.95 115.26 108.25 1wwt n ASN 53 Ca 0.00 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.23 1wwt n ASN 53 Cb 0.22 -0.44 -0.16 0.00 1.24 0.00 0.00 39.78 40.64 1wwt n ASN 53 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1wwt s VAL 54 N -2.00 1.14 0.18 3.44 -7.23 -1.17 -5.09 120.40 109.66 1wwt s VAL 54 Ca 0.00 -0.52 -0.32 0.00 -1.81 0.00 0.00 61.98 59.33 1wwt s VAL 54 Cb 0.00 -1.01 -0.16 0.00 0.56 0.00 0.00 36.38 35.77 1wwt s VAL 54 CO 0.00 0.34 1.05 0.52 -0.31 0.00 0.00 175.10 176.71 1wwt n VAL 55 N 3.47 1.12 -4.10 1.32 0.31 -1.26 0.12 118.33 119.31 1wwt n VAL 55 Ca -0.20 -0.28 -0.11 0.00 -0.01 0.00 0.00 64.34 63.74 1wwt n VAL 55 Cb 0.53 -0.70 -0.11 0.00 -0.91 0.00 0.00 33.84 32.65 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 -0.41 0.68 0.27 3.52 -0.11 0.27 -4.66 118.94 118.50 1wwt s TRP 56 Ca 0.71 -0.74 -0.11 0.00 1.22 0.00 0.00 56.10 57.19 1wwt s TRP 56 Cb -0.87 -0.42 -0.07 0.00 -1.50 0.00 0.00 33.47 30.61 1wwt s TRP 56 CO 0.54 -0.16 0.61 -0.51 -4.62 0.00 0.00 176.95 172.80 1wwt s ASP 57 N -2.30 6.64 0.18 5.86 1.01 -1.26 -3.42 116.67 123.37 1wwt s ASP 57 Ca -0.00 1.00 0.10 0.00 0.71 0.00 0.00 52.55 54.36 1wwt s ASP 57 Cb -0.02 -2.26 -0.10 0.00 1.01 0.00 0.00 42.92 41.55 1wwt s ASP 57 CO -0.03 -0.14 1.35 -0.07 0.21 0.00 0.00 175.17 176.49 1wwt h LEU 58 N 2.32 0.00 -0.46 1.23 3.38 -1.95 -2.98 115.31 116.85 1wwt h LEU 58 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1wwt h LEU 58 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1wwt h LEU 58 CO 0.68 0.82 -0.07 -0.67 0.09 0.00 0.00 178.44 179.29 1wwt n ASP 59 N -3.32 0.78 -4.43 -0.43 -0.08 -1.26 -3.83 116.55 103.99 1wwt n ASP 59 Ca 0.01 -1.01 -0.34 0.00 -1.51 0.00 0.00 54.79 51.94 1wwt n ASP 59 Cb 0.86 -0.01 -0.13 0.00 2.34 0.00 0.00 41.12 44.18 1wwt n ASP 59 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1wwt s ARG 60 N -2.22 3.57 0.43 -0.67 3.52 -1.13 -5.09 118.95 117.36 1wwt s ARG 60 Ca 0.35 -0.55 -0.23 0.00 -0.13 0.00 0.00 55.73 55.17 1wwt s ARG 60 Cb 0.21 -2.98 -0.09 0.00 -1.56 0.00 0.00 34.95 30.53 1wwt s ARG 60 CO 0.41 0.06 1.05 -1.25 -0.81 0.00 0.00 175.30 174.76 1wwt s PRO 61 N 0.85 4.04 1.18 5.12 0.04 -1.26 -4.32 135.00 140.65 1wwt s PRO 61 Ca -0.00 1.47 -0.18 0.00 0.04 0.00 0.00 61.00 62.33 1wwt s PRO 61 Cb -0.14 -2.40 0.22 0.00 0.04 0.00 0.00 34.50 32.22 1wwt s PRO 61 CO 0.02 -0.24 0.43 1.28 0.04 0.00 0.00 177.00 178.53 1wwt n LEU 62 N -0.37 -1.58 -0.04 -3.56 7.99 -0.75 -4.63 117.00 114.06 1wwt n LEU 62 Ca 0.06 -0.38 -0.06 0.00 -0.01 0.00 0.00 56.01 55.63 1wwt n LEU 62 Cb 0.50 -0.96 -0.04 0.00 -0.11 0.00 0.00 43.42 42.82 1wwt n LEU 62 CO 0.43 -3.50 -0.78 -0.62 -1.51 0.00 0.00 177.39 171.41 1wwt n GLU 63 N -3.26 0.52 -3.80 3.23 1.02 -1.26 -2.29 120.64 114.80 1wwt n GLU 63 Ca 0.05 0.04 -0.04 0.00 -0.02 0.00 0.00 57.16 57.19 1wwt n GLU 63 Cb 0.53 -1.18 -0.00 0.00 -0.02 0.00 0.00 31.44 30.77 1wwt n GLU 63 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1wwt s GLU 64 N -2.18 1.35 -0.49 3.49 -1.05 -1.26 -4.59 118.70 113.97 1wwt s GLU 64 Ca -0.11 -0.79 -0.45 0.00 -0.15 0.00 0.00 54.97 53.47 1wwt s GLU 64 Cb 0.03 0.43 -0.19 0.00 -0.44 0.00 0.00 34.13 33.96 1wwt s GLU 64 CO 0.21 -0.62 1.94 -0.40 0.95 0.00 0.00 175.26 177.34 1wwt n ASP 65 N -0.72 0.99 -3.50 0.83 5.75 -1.26 -4.82 116.55 113.82 1wwt n ASP 65 Ca -0.05 0.86 -0.12 0.00 -0.01 0.00 0.00 54.79 55.47 1wwt n ASP 65 Cb 0.60 -0.91 -0.04 0.00 -1.03 0.00 0.00 41.12 39.75 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 -3.33 5.13 -0.12 0.00 -4.23 -1.26 -3.35 115.64 108.49 1wwt s THR 67 Ca 0.25 0.44 -0.01 0.00 -1.18 0.00 0.00 61.69 61.19 1wwt s THR 67 Cb -0.01 -3.63 -0.02 0.00 1.34 0.00 0.00 72.50 70.17 1wwt s THR 67 CO 0.14 0.34 -0.09 -0.22 -0.54 0.00 0.00 174.62 174.26 1wwt s LEU 68 N -1.76 2.98 -0.12 4.79 2.96 -0.67 -2.06 118.68 124.79 1wwt s LEU 68 Ca 0.30 -0.19 -0.06 0.00 -0.22 0.00 0.00 54.13 53.97 1wwt s LEU 68 Cb -0.14 -1.68 0.06 0.00 0.50 0.00 0.00 46.19 44.93 1wwt s LEU 68 CO 0.17 0.23 0.28 -0.70 -1.32 0.00 0.00 176.35 175.00 1wwt s GLU 69 N 0.01 0.22 -0.28 1.98 2.12 -1.04 -2.72 118.70 118.99 1wwt s GLU 69 Ca -0.02 0.65 -0.14 0.00 0.36 0.00 0.00 54.97 55.82 1wwt s GLU 69 Cb -0.14 -0.06 -0.04 0.00 0.26 0.00 0.00 34.13 34.15 1wwt s GLU 69 CO 0.03 -0.20 0.34 -0.51 -0.54 0.00 0.00 175.26 174.38 1wwt s LEU 70 N 1.68 4.05 0.54 2.70 2.01 -1.26 0.86 118.68 129.26 1wwt s LEU 70 Ca -0.06 0.21 -0.17 0.00 0.01 0.00 0.00 54.13 54.12 1wwt s LEU 70 Cb -0.11 -2.37 -0.07 0.00 0.01 0.00 0.00 46.19 43.66 1wwt s LEU 70 CO -0.09 -0.17 1.01 -0.76 1.01 0.00 0.00 176.35 177.35 1wwt s LEU 71 N 2.02 3.61 -0.21 1.79 1.02 0.33 -4.96 118.68 122.27 1wwt s LEU 71 Ca 0.13 1.68 -0.07 0.00 0.02 0.00 0.00 54.13 55.90 1wwt s LEU 71 Cb -0.16 -4.52 -0.03 0.00 0.02 0.00 0.00 46.19 41.50 1wwt s LEU 71 CO 0.10 -0.79 0.05 -0.75 0.02 0.00 0.00 176.35 174.98 1wwt s LYS 72 N -3.98 3.79 -0.92 1.70 2.20 -1.26 -3.40 119.74 117.87 1wwt s LYS 72 Ca 0.61 -0.43 -0.04 0.00 -0.36 0.00 0.00 55.97 55.75 1wwt s LYS 72 Cb -0.12 -3.21 0.04 0.00 -1.51 0.00 0.00 37.83 33.03 1wwt s LYS 72 CO 0.32 0.07 0.09 1.19 -0.36 0.00 0.00 175.35 176.66 1wwt n PHE 73 N 4.12 -0.69 -1.30 4.03 3.72 -1.26 -4.62 117.46 121.45 1wwt n PHE 73 Ca -0.16 0.35 -0.48 0.00 -0.05 0.00 0.00 57.45 57.11 1wwt n PHE 73 Cb 0.52 -1.43 -0.05 0.00 -0.94 0.00 0.00 39.48 37.59 1wwt n PHE 73 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1wwt n GLU 74 N -2.87 0.00 -0.33 -1.08 -0.00 -1.26 -4.85 120.64 110.25 1wwt n GLU 74 Ca -0.12 0.00 0.08 0.00 -0.00 0.00 0.00 57.16 57.12 1wwt n GLU 74 Cb 0.35 -1.10 0.18 0.00 -0.00 0.00 0.00 31.44 30.87 1wwt n GLU 74 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1wwt n ASP 75 N 1.61 2.14 0.05 -1.84 -0.08 -1.26 -4.72 116.55 112.45 1wwt n ASP 75 Ca 0.17 -3.45 -0.10 0.00 -1.51 0.00 0.00 54.79 49.90 1wwt n ASP 75 Cb 0.16 -0.48 -0.07 0.00 2.34 0.00 0.00 41.12 43.06 1wwt n ASP 75 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1wwt h GLU 76 N 0.51 -0.20 0.00 -0.67 5.08 -1.98 -3.48 114.58 113.83 1wwt h GLU 76 Ca 0.01 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1wwt h GLU 76 Cb 1.04 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1wwt h GLU 76 CO 0.02 0.22 0.00 -1.91 -1.00 0.00 0.00 179.01 176.34 1wwt n GLU 77 N -4.91 0.27 0.00 2.33 2.13 -1.26 -5.09 120.64 114.10 1wwt n GLU 77 Ca -0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.75 1wwt n GLU 77 Cb 0.26 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.97 1wwt n GLU 77 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wwt n ALA 78 N -3.00 2.97 -0.07 4.31 0.00 -1.26 -4.89 120.51 118.57 1wwt n ALA 78 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1wwt n ALA 78 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1wwt n ALA 78 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1wwt h GLN 79 N 0.00 -0.15 -3.92 0.00 -0.00 -1.99 -3.28 115.11 105.76 1wwt h GLN 79 Ca 0.00 0.01 -0.76 0.00 -0.00 0.00 0.00 58.65 57.90 1wwt h GLN 79 Cb 0.00 0.03 -0.28 0.00 0.00 0.00 0.00 27.48 27.24 1wwt h GLN 79 CO 0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 178.83 178.60 1wwt s ALA 80 N -6.13 3.80 0.02 3.38 0.00 -1.26 -4.58 121.76 116.99 1wwt s ALA 80 Ca -0.14 -3.02 0.00 0.00 0.00 0.00 0.00 51.96 48.80 1wwt s ALA 80 Cb 0.13 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 20.03 1wwt s ALA 80 CO 0.69 -2.13 0.00 0.28 0.00 0.00 0.00 175.76 174.59 1wwt n VAL 81 N 4.32 0.00 -4.25 0.00 0.31 -1.24 -4.78 118.33 112.69 1wwt n VAL 81 Ca 0.03 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.03 1wwt n VAL 81 Cb 0.43 -0.17 -0.08 0.00 -0.91 0.00 0.00 33.84 33.10 1wwt n VAL 81 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1wwt s TYR 82 N -2.00 3.19 -0.39 3.52 2.02 -1.26 -4.79 117.35 117.63 1wwt s TYR 82 Ca 0.00 0.18 0.03 0.00 -0.37 0.00 0.00 57.07 56.91 1wwt s TYR 82 Cb 0.00 -1.75 0.16 0.00 -0.40 0.00 0.00 41.96 39.98 1wwt s TYR 82 CO 0.00 0.50 0.31 -1.54 -1.57 0.00 0.00 175.55 173.25 1wwt s SER 83 N -1.32 1.79 0.65 2.29 1.04 -1.26 -5.11 113.70 111.78 1wwt s SER 83 Ca 0.18 -2.72 -0.13 0.00 0.48 0.00 0.00 55.95 53.75 1wwt s SER 83 Cb -0.12 -0.33 -0.01 0.00 0.10 0.00 0.00 66.02 65.66 1wwt s SER 83 CO 0.08 -0.21 1.06 -0.83 0.98 0.00 0.00 173.24 174.32 1wwt s GLY 84 N 0.43 1.88 0.22 7.32 0.00 -1.26 -4.90 107.32 111.01 1wwt s GLY 84 Ca 0.28 0.24 -0.30 0.00 0.00 0.00 0.00 44.72 44.94 1wwt s GLY 84 CO -0.13 0.56 1.10 2.56 0.00 0.00 0.00 173.10 177.19 1wwt s PRO 85 N -4.58 4.61 -0.13 2.90 0.04 -1.26 -5.04 135.00 131.55 1wwt s PRO 85 Ca 0.61 1.76 -0.05 0.00 0.04 0.00 0.00 61.00 63.35 1wwt s PRO 85 Cb -0.15 -3.24 0.06 0.00 0.04 0.00 0.00 34.50 31.21 1wwt s PRO 85 CO 0.46 0.12 0.26 0.45 0.04 0.00 0.00 177.00 178.34 1wwt s SER 86 N -0.39 0.16 -0.30 6.66 0.15 -1.26 -5.12 113.70 113.61 1wwt s SER 86 Ca 0.48 0.59 0.01 0.00 0.70 0.00 0.00 55.95 57.72 1wwt s SER 86 Cb -0.30 0.64 0.19 0.00 -1.71 0.00 0.00 66.02 64.84 1wwt s SER 86 CO 0.37 -0.22 0.64 -0.44 1.20 0.00 0.00 173.24 174.79 1wwt s SER 87 N 2.10 -1.39 0.00 5.45 0.01 -1.26 -5.32 113.70 113.28 1wwt s SER 87 Ca -0.02 0.56 0.00 0.00 1.31 0.00 0.00 55.95 57.80 1wwt s SER 87 Cb -0.11 2.04 0.00 0.00 0.21 0.00 0.00 66.02 68.16 1wwt s SER 87 CO -0.09 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 173.92