#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wwt s SER 2 N 0.00 -0.08 -0.19 1.61 0.15 -1.26 -5.15 113.70 108.79 1wwt s SER 2 Ca 0.00 -0.66 -0.00 0.00 0.70 0.00 0.00 55.95 55.99 1wwt s SER 2 Cb 0.00 0.47 0.01 0.00 -1.71 0.00 0.00 66.02 64.79 1wwt s SER 2 CO 0.00 -0.92 -0.16 -0.55 1.20 0.00 0.00 173.24 172.81 1wwt s SER 3 N -2.91 3.47 0.06 5.45 0.15 -1.26 -5.11 113.70 113.56 1wwt s SER 3 Ca 0.12 -0.57 -0.03 0.00 0.70 0.00 0.00 55.95 56.17 1wwt s SER 3 Cb 0.02 -1.55 -0.03 0.00 -1.71 0.00 0.00 66.02 62.75 1wwt s SER 3 CO -0.04 0.01 0.03 -0.83 1.20 0.00 0.00 173.24 173.61 1wwt s GLY 4 N 1.26 0.39 -0.10 9.45 0.00 -1.26 -5.09 107.32 111.97 1wwt s GLY 4 Ca 0.04 -1.06 -0.04 0.00 0.00 0.00 0.00 44.72 43.65 1wwt s GLY 4 CO -0.09 -1.19 -0.08 1.76 0.00 0.00 0.00 173.10 173.51 1wwt h SER 5 N 3.04 0.00 -3.11 1.64 0.02 -2.07 -3.44 113.55 109.63 1wwt h SER 5 Ca -0.34 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.04 1wwt h SER 5 Cb 1.16 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.65 1wwt h SER 5 CO 0.63 0.54 1.06 -0.44 -1.14 0.00 0.00 176.83 177.48 1wwt s SER 6 N -5.31 6.42 -0.44 3.07 0.01 -1.26 -4.96 113.70 111.23 1wwt s SER 6 Ca -0.06 1.12 0.04 0.00 1.31 0.00 0.00 55.95 58.35 1wwt s SER 6 Cb 0.01 -2.54 0.12 0.00 0.21 0.00 0.00 66.02 63.82 1wwt s SER 6 CO 0.09 -1.31 0.17 -0.83 0.41 0.00 0.00 173.24 171.78 1wwt s GLY 7 N 3.76 2.18 0.80 3.44 0.00 -1.26 -5.10 107.32 111.13 1wwt s GLY 7 Ca 0.63 -2.92 -0.11 0.00 0.00 0.00 0.00 44.72 42.32 1wwt s GLY 7 CO 0.29 1.02 1.09 0.99 0.00 0.00 0.00 173.10 176.48 1wwt s ASP 8 N 0.25 4.37 1.03 1.64 1.11 -1.26 -4.98 116.67 118.83 1wwt s ASP 8 Ca 0.14 1.64 -0.18 0.00 0.18 0.00 0.00 52.55 54.34 1wwt s ASP 8 Cb -0.23 -2.37 -0.00 0.00 1.07 0.00 0.00 42.92 41.39 1wwt s ASP 8 CO -0.04 -2.09 -0.22 -1.54 1.18 0.00 0.00 175.17 172.46 1wwt n SER 9 N -3.54 -2.96 -3.49 0.27 3.41 -1.26 -5.03 113.62 101.02 1wwt n SER 9 Ca 0.08 0.10 -0.10 0.00 -0.26 0.00 0.00 58.87 58.69 1wwt n SER 9 Cb 0.54 -0.94 -0.02 0.00 -0.26 0.00 0.00 64.21 63.52 1wwt n SER 9 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1wwt s LYS 10 N -3.07 1.87 -0.25 4.33 -2.85 -1.26 -4.91 119.74 113.60 1wwt s LYS 10 Ca 0.51 -1.39 -0.29 0.00 -1.00 0.00 0.00 55.97 53.80 1wwt s LYS 10 Cb -0.13 0.53 -0.01 0.00 -2.06 0.00 0.00 37.83 36.17 1wwt s LYS 10 CO 0.69 -0.82 1.32 -1.25 0.10 0.00 0.00 175.35 175.39 1wwt s PRO 11 N -3.29 4.01 0.17 1.78 0.04 -1.26 -0.61 135.00 135.83 1wwt s PRO 11 Ca 0.21 1.42 0.10 0.00 0.04 0.00 0.00 61.00 62.77 1wwt s PRO 11 Cb -0.03 -3.86 -0.04 0.00 0.04 0.00 0.00 34.50 30.61 1wwt s PRO 11 CO 0.12 -1.01 -0.18 0.96 0.04 0.00 0.00 177.00 176.94 1wwt s ILE 12 N 4.17 2.73 -0.16 0.56 -4.36 0.50 -4.87 121.20 119.77 1wwt s ILE 12 Ca 0.57 -1.78 -0.03 0.00 -0.26 0.00 0.00 60.65 59.15 1wwt s ILE 12 Cb -0.19 -2.31 -0.03 0.00 1.25 0.00 0.00 42.46 41.19 1wwt s ILE 12 CO 0.21 -0.05 -0.04 -0.54 0.24 0.00 0.00 174.94 174.75 1wwt s LYS 13 N -2.57 3.63 -0.23 0.37 -0.14 -1.26 -0.11 119.74 119.44 1wwt s LYS 13 Ca 0.21 -0.54 0.01 0.00 -1.36 0.00 0.00 55.97 54.29 1wwt s LYS 13 Cb -0.09 -2.90 0.05 0.00 -1.68 0.00 0.00 37.83 33.21 1wwt s LYS 13 CO 0.11 0.21 -0.08 0.08 -0.76 0.00 0.00 175.35 174.91 1wwt s VAL 14 N 0.44 1.71 -0.16 3.17 1.01 -0.82 -1.81 120.40 123.94 1wwt s VAL 14 Ca -0.04 -1.24 -0.24 0.00 0.00 0.00 0.00 61.98 60.46 1wwt s VAL 14 Cb -0.14 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 1wwt s VAL 14 CO 0.03 0.01 0.77 -0.89 0.00 0.00 0.00 175.10 175.02 1wwt s THR 15 N 1.33 4.93 0.90 3.92 2.01 -1.18 -1.08 115.64 126.47 1wwt s THR 15 Ca -0.05 1.51 -0.10 0.00 0.31 0.00 0.00 61.69 63.36 1wwt s THR 15 Cb -0.18 -4.08 0.13 0.00 0.01 0.00 0.00 72.50 68.38 1wwt s THR 15 CO -0.07 0.08 1.12 -0.76 -0.69 0.00 0.00 174.62 174.30 1wwt s LEU 16 N 1.88 2.69 0.00 4.42 1.43 0.37 -1.72 118.68 127.75 1wwt s LEU 16 Ca 0.36 1.99 0.17 0.00 -1.03 0.00 0.00 54.13 55.61 1wwt s LEU 16 Cb -0.17 -4.41 0.99 0.00 0.03 0.00 0.00 46.19 42.63 1wwt s LEU 16 CO 0.13 -2.88 1.47 -0.81 0.23 0.00 0.00 176.35 174.49 1wwt n PRO 17 N -4.08 0.75 0.00 1.29 -0.04 -0.72 -1.81 135.00 130.39 1wwt n PRO 17 Ca 0.10 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.64 1wwt n PRO 17 Cb 0.53 -1.35 -0.09 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.85 0.96 0.00 3.54 -0.08 -1.26 -4.97 116.55 113.89 1wwt n ASP 18 Ca 0.12 -0.98 0.00 0.00 -1.51 0.00 0.00 54.79 52.42 1wwt n ASP 18 Cb 0.06 0.93 0.00 0.00 2.34 0.00 0.00 41.12 44.44 1wwt n ASP 18 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wwt n GLY 19 N 1.39 1.85 3.68 0.27 0.00 -0.75 -5.08 105.19 106.55 1wwt n GLY 19 Ca 0.04 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 0.42 -4.23 1.61 4.01 -1.26 -4.61 118.16 114.10 1wwt n LYS 20 Ca 0.00 0.21 -0.25 0.00 -0.51 0.00 0.00 58.31 57.77 1wwt n LYS 20 Cb 0.00 -2.41 -0.07 0.00 -0.51 0.00 0.00 35.03 32.04 1wwt n LYS 20 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1wwt s GLN 21 N -3.81 2.42 0.07 1.97 -0.21 -1.26 0.14 119.66 118.98 1wwt s GLN 21 Ca 0.75 -1.22 -0.03 0.00 0.02 0.00 0.00 55.36 54.87 1wwt s GLN 21 Cb -0.32 -2.30 -0.03 0.00 1.00 0.00 0.00 33.01 31.36 1wwt s GLN 21 CO 0.49 0.41 0.05 0.08 -2.12 0.00 0.00 175.29 174.20 1wwt s VAL 22 N -2.01 0.19 -0.23 1.09 1.01 -0.24 -4.86 120.40 115.35 1wwt s VAL 22 Ca 0.30 -1.62 -0.08 0.00 0.00 0.00 0.00 61.98 60.57 1wwt s VAL 22 Cb -0.08 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1wwt s VAL 22 CO 0.20 -0.85 0.10 -1.81 0.00 0.00 0.00 175.10 172.73 1wwt s ASP 23 N -2.91 5.54 0.29 3.32 1.01 -1.26 -1.95 116.67 120.71 1wwt s ASP 23 Ca 0.08 -0.04 0.02 0.00 0.71 0.00 0.00 52.55 53.31 1wwt s ASP 23 Cb 0.07 -1.99 -0.04 0.00 1.01 0.00 0.00 42.92 41.97 1wwt s ASP 23 CO -0.09 0.05 0.12 0.00 0.21 0.00 0.00 175.17 175.45 1wwt s ALA 24 N 1.15 1.90 -0.02 5.23 0.00 0.85 -4.95 121.76 125.92 1wwt s ALA 24 Ca 0.05 -1.79 0.03 0.00 0.00 0.00 0.00 51.96 50.25 1wwt s ALA 24 Cb -0.14 1.07 -0.00 0.00 0.00 0.00 0.00 23.12 24.04 1wwt s ALA 24 CO 0.04 -0.47 -0.11 -1.21 0.00 0.00 0.00 175.76 174.01 1wwt s GLU 25 N -3.92 1.07 0.43 0.00 2.02 -1.26 0.19 118.70 117.23 1wwt s GLU 25 Ca 0.36 -0.37 -0.25 0.00 0.02 0.00 0.00 54.97 54.73 1wwt s GLU 25 Cb 0.06 -0.99 -0.09 0.00 0.10 0.00 0.00 34.13 33.21 1wwt s GLU 25 CO 0.15 0.16 1.30 -1.13 0.02 0.00 0.00 175.26 175.77 1wwt n SER 26 N 3.17 2.69 -4.33 -0.19 3.41 0.22 -1.34 113.62 117.25 1wwt n SER 26 Ca -0.17 1.10 -0.35 0.00 -0.26 0.00 0.00 58.87 59.19 1wwt n SER 26 Cb 0.54 -1.52 -0.07 0.00 -0.26 0.00 0.00 64.21 62.90 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 -0.25 -1.36 0.08 7.33 7.02 -0.89 -4.08 117.44 125.29 1wwt n TRP 27 Ca 0.06 0.68 0.00 0.00 -1.02 0.00 0.00 57.50 57.23 1wwt n TRP 27 Cb 0.40 -2.65 0.00 0.00 -2.42 0.00 0.00 31.31 26.64 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 -4.36 0.00 -3.96 -0.99 5.02 -0.64 -4.86 118.16 108.37 1wwt n LYS 28 Ca -0.12 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.85 1wwt n LYS 28 Cb 0.59 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.55 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 -1.45 5.15 0.47 -0.18 2.01 -0.45 -4.97 115.64 116.22 1wwt s THR 29 Ca 0.00 -0.40 0.04 0.00 0.31 0.00 0.00 61.69 61.64 1wwt s THR 29 Cb 0.00 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 1wwt s THR 29 CO 0.00 0.22 0.04 0.42 -0.69 0.00 0.00 174.62 174.61 1wwt s THR 30 N -1.39 1.59 -0.17 -0.82 -4.23 -1.26 -2.14 115.64 107.21 1wwt s THR 30 Ca 0.30 -1.94 0.28 0.00 -1.18 0.00 0.00 61.69 59.15 1wwt s THR 30 Cb -0.13 -2.53 0.37 0.00 1.34 0.00 0.00 72.50 71.55 1wwt s THR 30 CO 0.22 0.00 1.80 1.55 -0.54 0.00 0.00 174.62 177.65 1wwt h PRO 31 N 1.47 0.00 -0.05 3.99 0.13 -1.77 -2.66 132.00 133.11 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 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1wwt h PRO 31 CO 0.75 0.00 -0.74 -0.92 -0.23 0.00 0.00 178.00 176.86 1wwt h TYR 32 N 0.00 0.40 0.04 1.56 3.20 -1.89 -3.10 116.97 117.19 1wwt h TYR 32 Ca 0.00 -0.18 -0.00 0.00 3.14 0.00 0.00 58.73 61.68 1wwt h TYR 32 Cb 0.75 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.96 1wwt h TYR 32 CO 0.00 0.93 -0.02 1.96 -1.64 0.00 0.00 178.16 179.39 1wwt h GLN 33 N 0.19 -0.05 -0.99 1.82 4.20 -1.83 -2.72 115.11 115.74 1wwt h GLN 33 Ca -0.03 0.00 0.17 0.00 0.06 0.00 0.00 58.65 58.86 1wwt h GLN 33 Cb 1.31 0.01 -0.17 0.00 0.30 0.00 0.00 27.48 28.93 1wwt h GLN 33 CO 0.12 0.54 -0.33 0.82 -0.67 0.00 0.00 178.83 179.32 1wwt h ILE 34 N -0.94 0.01 0.88 2.54 2.04 -1.57 0.99 117.51 121.46 1wwt h ILE 34 Ca -0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 1wwt h ILE 34 Cb 0.62 0.01 0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1wwt h ILE 34 CO 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 178.15 177.73 1wwt h ALA 35 N 1.65 -1.19 -0.80 1.87 0.00 -1.64 -2.55 119.26 116.58 1wwt h ALA 35 Ca 0.40 -0.26 0.16 0.00 0.00 0.00 0.00 54.91 55.21 1wwt h ALA 35 Cb 0.65 0.47 -0.15 0.00 0.00 0.00 0.00 17.79 18.76 1wwt h ALA 35 CO -1.00 -1.17 -0.24 0.00 0.00 0.00 0.00 179.25 176.84 1wwt h GLY 37 N -0.02 1.13 0.00 0.00 0.00 0.12 -3.25 103.07 101.05 1wwt h GLY 37 Ca 0.37 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1wwt h GLY 37 CO -0.83 -0.34 0.00 1.39 0.00 0.00 0.00 176.54 176.75 1wwt n ILE 38 N -5.29 0.00 -3.25 2.60 5.41 0.26 -4.86 119.36 114.23 1wwt n ILE 38 Ca 0.18 0.21 -0.36 0.00 1.00 0.00 0.00 62.75 63.79 1wwt n ILE 38 Cb 0.60 -0.81 -0.06 0.00 -0.71 0.00 0.00 39.64 38.66 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 -1.59 6.94 -0.07 4.38 0.01 -0.90 -5.04 113.70 117.44 1wwt s SER 39 Ca 0.00 1.23 -0.30 0.00 1.31 0.00 0.00 55.95 58.19 1wwt s SER 39 Cb 0.00 -2.35 -0.02 0.00 0.21 0.00 0.00 66.02 63.86 1wwt s SER 39 CO 0.00 0.10 1.09 -1.58 0.41 0.00 0.00 173.24 173.25 1wwt s GLN 40 N -1.86 4.41 -0.73 12.44 2.00 -1.26 -2.93 119.66 131.74 1wwt s GLN 40 Ca 0.39 1.52 0.00 0.00 -2.00 0.00 0.00 55.36 55.27 1wwt s GLN 40 Cb -0.16 -3.53 0.00 0.00 0.80 0.00 0.00 33.01 30.12 1wwt s GLN 40 CO 0.20 -0.33 0.00 0.41 -0.50 0.00 0.00 175.29 175.07 1wwt n GLY 41 N 3.18 0.66 0.11 2.59 0.00 -1.26 -4.94 105.19 105.53 1wwt n GLY 41 Ca 0.09 -0.67 -0.08 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.14 -0.87 0.99 7.12 -1.84 -3.28 115.31 117.28 1wwt h LEU 42 Ca -0.16 -0.32 0.21 0.00 0.13 0.00 0.00 57.88 57.75 1wwt h LEU 42 Cb 0.69 0.04 -0.12 0.00 -0.53 0.00 0.00 40.66 40.73 1wwt h LEU 42 CO 0.21 0.46 0.35 0.00 -0.13 0.00 0.00 178.44 179.33 1wwt h ALA 43 N -0.56 1.36 -1.07 1.25 0.00 -1.82 1.26 119.26 119.68 1wwt h ALA 43 Ca -0.02 0.17 0.30 0.00 0.00 0.00 0.00 54.91 55.36 1wwt h ALA 43 Cb 0.45 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 1wwt h ALA 43 CO 0.03 -0.36 0.75 0.22 0.00 0.00 0.00 179.25 179.89 1wwt h ASP 44 N 0.36 0.13 -2.49 0.00 3.58 -1.91 -1.04 116.42 115.05 1wwt h ASP 44 Ca 0.54 0.02 -0.73 0.00 0.42 0.00 0.00 57.03 57.28 1wwt h ASP 44 Cb 1.03 0.00 -0.33 0.00 1.72 0.00 0.00 39.33 41.75 1wwt h ASP 44 CO -0.54 0.03 0.35 -3.20 -2.88 0.00 0.00 179.24 172.99 1wwt n ASN 45 N -4.33 5.83 -3.75 2.28 5.15 0.43 -4.96 115.26 115.91 1wwt n ASN 45 Ca 0.24 -3.54 -0.16 0.00 -0.60 0.00 0.00 54.58 50.51 1wwt n ASN 45 Cb 1.07 -1.01 -0.16 0.00 -0.53 0.00 0.00 39.78 39.15 1wwt n ASN 45 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1wwt s THR 46 N -3.41 -0.04 0.00 -0.44 2.01 -0.40 -4.97 115.64 108.39 1wwt s THR 46 Ca 0.38 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.63 1wwt s THR 46 Cb 0.14 -0.12 0.00 0.00 0.01 0.00 0.00 72.50 72.53 1wwt s THR 46 CO -0.02 0.12 0.31 0.52 -0.69 0.00 0.00 174.62 174.86 1wwt n VAL 47 N 4.45 0.00 -3.72 3.82 0.31 -0.67 -4.95 118.33 117.57 1wwt n VAL 47 Ca -0.22 0.72 -0.12 0.00 -0.01 0.00 0.00 64.34 64.72 1wwt n VAL 47 Cb 0.50 -1.56 -0.12 0.00 -0.91 0.00 0.00 33.84 31.76 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 -1.36 -0.02 -0.06 2.52 -1.09 -1.25 -4.93 121.20 115.02 1wwt s ILE 48 Ca 0.00 0.09 -0.15 0.00 -2.23 0.00 0.00 60.65 58.36 1wwt s ILE 48 Cb 0.00 -0.50 -0.05 0.00 -1.58 0.00 0.00 42.46 40.33 1wwt s ILE 48 CO 0.00 0.04 0.38 0.00 -1.23 0.00 0.00 174.94 174.12 1wwt s ALA 49 N 1.05 3.65 -0.06 9.38 0.00 -1.19 -0.73 121.76 133.87 1wwt s ALA 49 Ca -0.07 -0.29 -0.07 0.00 0.00 0.00 0.00 51.96 51.54 1wwt s ALA 49 Cb -0.08 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 1wwt s ALA 49 CO -0.08 0.33 0.20 0.15 0.00 0.00 0.00 175.76 176.36 1wwt s LYS 50 N -0.48 3.51 -0.32 0.00 1.02 0.64 0.15 119.74 124.25 1wwt s LYS 50 Ca 0.22 -0.12 0.00 0.00 0.02 0.00 0.00 55.97 56.10 1wwt s LYS 50 Cb -0.15 -3.15 0.10 0.00 -0.52 0.00 0.00 37.83 34.11 1wwt s LYS 50 CO 0.10 0.72 0.10 0.08 -0.92 0.00 0.00 175.35 175.44 1wwt s VAL 51 N -1.16 1.14 0.00 3.17 1.01 0.27 -2.37 120.40 122.46 1wwt s VAL 51 Ca 0.21 -1.64 0.00 0.00 0.00 0.00 0.00 61.98 60.55 1wwt s VAL 51 Cb -0.13 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.40 1wwt s VAL 51 CO 0.11 -0.68 0.00 -3.20 0.00 0.00 0.00 175.10 171.32 1wwt n ASN 52 N 4.65 -2.08 0.00 3.32 2.85 -1.15 -3.14 115.26 119.72 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 -0.45 0.00 0.00 1.24 0.00 0.00 39.78 40.99 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 1.78 -2.54 -4.02 1.20 5.15 -1.26 -4.95 115.26 110.63 1wwt n ASN 53 Ca 0.00 0.00 -0.21 0.00 -0.60 0.00 0.00 54.58 53.77 1wwt n ASN 53 Cb 0.15 -0.45 -0.16 0.00 -0.53 0.00 0.00 39.78 38.79 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 0.89 0.04 3.44 -7.23 -1.19 -5.10 120.40 109.27 1wwt s VAL 54 Ca 0.00 -0.41 -0.37 0.00 -1.81 0.00 0.00 61.98 59.39 1wwt s VAL 54 Cb 0.00 -0.79 -0.17 0.00 0.56 0.00 0.00 36.38 35.98 1wwt s VAL 54 CO 0.00 0.28 1.39 0.52 -0.31 0.00 0.00 175.10 176.98 1wwt n VAL 55 N 3.32 0.04 -4.21 1.32 0.31 -1.26 0.96 118.33 118.81 1wwt n VAL 55 Ca -0.19 -0.01 -0.19 0.00 -0.01 0.00 0.00 64.34 63.95 1wwt n VAL 55 Cb 0.54 -0.87 -0.12 0.00 -0.91 0.00 0.00 33.84 32.48 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 0.84 1.27 0.29 3.52 -0.11 0.39 -4.71 118.94 120.45 1wwt s TRP 56 Ca 0.86 -0.44 -0.15 0.00 1.22 0.00 0.00 56.10 57.59 1wwt s TRP 56 Cb -0.97 -0.72 -0.09 0.00 -1.50 0.00 0.00 33.47 30.20 1wwt s TRP 56 CO 0.49 0.07 0.71 -0.51 -4.62 0.00 0.00 176.95 173.09 1wwt s ASP 57 N -1.68 6.80 0.27 5.86 1.01 -1.26 -3.14 116.67 124.53 1wwt s ASP 57 Ca -0.01 1.26 0.14 0.00 0.71 0.00 0.00 52.55 54.65 1wwt s ASP 57 Cb -0.10 -2.36 0.23 0.00 1.01 0.00 0.00 42.92 41.70 1wwt s ASP 57 CO 0.02 -0.15 1.52 -0.07 0.21 0.00 0.00 175.17 176.70 1wwt h LEU 58 N 2.49 0.00 -0.37 1.23 3.38 -1.95 -2.73 115.31 117.36 1wwt h LEU 58 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1wwt h LEU 58 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1wwt h LEU 58 CO 0.66 0.59 -0.16 -0.67 0.09 0.00 0.00 178.44 178.95 1wwt n ASP 59 N -3.41 0.73 -4.53 -0.43 2.03 -1.26 -3.79 116.55 105.89 1wwt n ASP 59 Ca 0.00 -0.75 -0.35 0.00 0.52 0.00 0.00 54.79 54.21 1wwt n ASP 59 Cb 0.70 0.01 -0.11 0.00 -0.72 0.00 0.00 41.12 40.99 1wwt n ASP 59 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1wwt s ARG 60 N -2.45 3.78 0.43 -0.67 3.52 -1.03 -5.08 118.95 117.46 1wwt s ARG 60 Ca 0.28 -0.43 -0.23 0.00 -0.13 0.00 0.00 55.73 55.22 1wwt s ARG 60 Cb 0.20 -3.24 -0.09 0.00 -1.56 0.00 0.00 34.95 30.26 1wwt s ARG 60 CO 0.48 0.04 1.05 -1.25 -0.81 0.00 0.00 175.30 174.81 1wwt s PRO 61 N 0.99 4.02 1.15 5.12 0.04 -1.26 -4.38 135.00 140.68 1wwt s PRO 61 Ca 0.04 1.47 -0.18 0.00 0.04 0.00 0.00 61.00 62.36 1wwt s PRO 61 Cb -0.14 -2.38 0.17 0.00 0.04 0.00 0.00 34.50 32.20 1wwt s PRO 61 CO 0.03 -0.26 0.28 1.28 0.04 0.00 0.00 177.00 178.37 1wwt n LEU 62 N -0.40 -1.99 -0.05 -3.56 7.99 -0.91 -4.62 117.00 113.45 1wwt n LEU 62 Ca 0.07 -0.25 -0.07 0.00 -0.01 0.00 0.00 56.01 55.75 1wwt n LEU 62 Cb 0.51 -0.98 -0.05 0.00 -0.11 0.00 0.00 43.42 42.79 1wwt n LEU 62 CO 0.43 -3.27 -0.83 -0.62 -1.51 0.00 0.00 177.39 171.59 1wwt n GLU 63 N -2.86 0.74 -2.75 3.23 1.02 -1.26 -2.09 120.64 116.67 1wwt n GLU 63 Ca 0.03 0.05 -0.01 0.00 -0.02 0.00 0.00 57.16 57.20 1wwt n GLU 63 Cb 0.57 -1.21 0.01 0.00 -0.02 0.00 0.00 31.44 30.79 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 -2.71 0.31 -1.43 3.49 0.28 -1.26 -4.63 120.64 114.68 1wwt n GLU 64 Ca -0.18 -0.72 -0.53 0.00 -0.16 0.00 0.00 57.16 55.57 1wwt n GLU 64 Cb 0.71 1.00 -0.08 0.00 1.43 0.00 0.00 31.44 34.50 1wwt n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1wwt n ASP 65 N -0.91 1.88 -3.11 -1.84 8.00 -1.26 -4.73 116.55 114.58 1wwt n ASP 65 Ca -0.01 0.54 -0.13 0.00 0.71 0.00 0.00 54.79 55.91 1wwt n ASP 65 Cb 0.31 -1.17 -0.02 0.00 -0.02 0.00 0.00 41.12 40.21 1wwt n ASP 65 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wwt s THR 67 N -2.76 3.46 -0.05 0.00 -4.23 -1.26 -3.11 115.64 107.69 1wwt s THR 67 Ca 0.26 -0.69 -0.01 0.00 -1.18 0.00 0.00 61.69 60.06 1wwt s THR 67 Cb -0.02 -3.26 0.03 0.00 1.34 0.00 0.00 72.50 70.59 1wwt s THR 67 CO 0.18 -0.16 0.02 -0.22 -0.54 0.00 0.00 174.62 173.90 1wwt s LEU 68 N -4.54 0.56 -0.09 4.79 2.96 -0.70 -2.95 118.68 118.72 1wwt s LEU 68 Ca 0.51 -0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 54.39 1wwt s LEU 68 Cb -0.10 -0.29 0.03 0.00 0.50 0.00 0.00 46.19 46.33 1wwt s LEU 68 CO 0.36 -0.19 0.01 -0.70 -1.32 0.00 0.00 176.35 174.51 1wwt s GLU 69 N 1.83 0.58 -0.07 1.98 2.12 -1.00 -1.75 118.70 122.40 1wwt s GLU 69 Ca 0.02 0.04 -0.25 0.00 0.36 0.00 0.00 54.97 55.13 1wwt s GLU 69 Cb -0.12 -1.15 -0.03 0.00 0.26 0.00 0.00 34.13 33.09 1wwt s GLU 69 CO -0.04 -0.36 0.77 -0.51 -0.54 0.00 0.00 175.26 174.58 1wwt s LEU 70 N 1.97 4.31 0.00 2.70 2.01 -1.26 -0.26 118.68 128.14 1wwt s LEU 70 Ca 0.04 1.28 -0.17 0.00 0.01 0.00 0.00 54.13 55.28 1wwt s LEU 70 Cb -0.13 -3.20 -0.06 0.00 0.01 0.00 0.00 46.19 42.81 1wwt s LEU 70 CO -0.06 -0.18 0.49 -0.76 1.01 0.00 0.00 176.35 176.85 1wwt s LEU 71 N 1.03 4.45 -0.46 1.79 1.02 0.10 -4.97 118.68 121.64 1wwt s LEU 71 Ca 0.40 1.05 0.03 0.00 0.02 0.00 0.00 54.13 55.64 1wwt s LEU 71 Cb -0.18 -2.74 0.51 0.00 0.02 0.00 0.00 46.19 43.80 1wwt s LEU 71 CO 0.19 0.23 1.70 1.17 0.02 0.00 0.00 176.35 179.66 1wwt n LYS 72 N 2.20 2.61 -3.64 1.70 3.00 -1.26 -1.67 118.16 121.10 1wwt n LYS 72 Ca -0.11 -3.41 -0.04 0.00 -0.00 0.00 0.00 58.31 54.76 1wwt n LYS 72 Cb 0.52 -2.16 -0.06 0.00 0.00 0.00 0.00 35.03 33.32 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 -3.55 -0.10 0.37 5.64 2.19 -1.26 -5.00 117.98 116.26 1wwt s PHE 73 Ca 0.56 0.24 0.08 0.00 0.33 0.00 0.00 56.93 58.14 1wwt s PHE 73 Cb 0.46 0.47 -0.05 0.00 -1.31 0.00 0.00 43.02 42.60 1wwt s PHE 73 CO 0.02 -0.06 0.14 -2.00 1.83 0.00 0.00 175.22 175.15 1wwt s GLU 74 N -0.19 2.27 -0.32 10.12 2.12 -1.26 -4.71 118.70 126.73 1wwt s GLU 74 Ca 0.07 -1.68 -0.02 0.00 0.36 0.00 0.00 54.97 53.69 1wwt s GLU 74 Cb -0.04 -2.07 0.19 0.00 0.26 0.00 0.00 34.13 32.47 1wwt s GLU 74 CO -0.13 0.03 0.84 0.34 -0.54 0.00 0.00 175.26 175.80 1wwt s ASP 75 N -3.85 -0.97 -0.30 -1.70 -1.08 -1.26 -5.15 116.67 102.36 1wwt s ASP 75 Ca 0.39 -0.06 -0.22 0.00 -0.52 0.00 0.00 52.55 52.14 1wwt s ASP 75 Cb 0.00 1.49 0.21 0.00 -1.46 0.00 0.00 42.92 43.16 1wwt s ASP 75 CO 0.22 -0.16 1.42 -1.61 0.52 0.00 0.00 175.17 175.56 1wwt s GLU 76 N 2.60 0.01 -1.24 4.34 2.02 -1.26 -5.07 118.70 120.10 1wwt s GLU 76 Ca 0.18 0.02 -0.20 0.00 0.02 0.00 0.00 54.97 54.99 1wwt s GLU 76 Cb -0.04 0.00 0.00 0.00 0.10 0.00 0.00 34.13 34.20 1wwt s GLU 76 CO -0.20 -0.00 1.82 -2.00 0.02 0.00 0.00 175.26 174.89 1wwt s GLU 77 N 0.37 3.35 -0.20 1.61 2.56 -1.26 -4.45 118.70 120.68 1wwt s GLU 77 Ca 0.02 -1.62 -0.10 0.00 0.00 0.00 0.00 54.97 53.27 1wwt s GLU 77 Cb -0.04 -5.41 0.01 0.00 2.00 0.00 0.00 34.13 30.70 1wwt s GLU 77 CO -0.14 -2.99 0.19 0.00 -0.56 0.00 0.00 175.26 171.77 1wwt n ALA 78 N 10.94 -2.48 -3.19 6.30 0.00 -1.26 -5.01 120.51 125.81 1wwt n ALA 78 Ca 0.47 0.29 0.04 0.00 0.00 0.00 0.00 53.44 54.24 1wwt n ALA 78 Cb 0.46 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 1wwt n ALA 78 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1wwt s GLN 79 N -1.59 0.37 -0.26 0.00 -0.21 -1.26 -5.05 119.66 111.66 1wwt s GLN 79 Ca 0.10 0.68 -0.02 0.00 0.02 0.00 0.00 55.36 56.14 1wwt s GLN 79 Cb -0.01 0.38 0.00 0.00 1.00 0.00 0.00 33.01 34.38 1wwt s GLN 79 CO 0.42 -0.37 0.09 0.00 -2.12 0.00 0.00 175.29 173.32 1wwt n ALA 80 N 5.42 -3.32 -3.13 6.09 0.00 -1.26 -4.96 120.51 119.35 1wwt n ALA 80 Ca -0.05 0.50 -0.12 0.00 0.00 0.00 0.00 53.44 53.77 1wwt n ALA 80 Cb 0.52 -1.23 -0.08 0.00 0.00 0.00 0.00 19.45 18.67 1wwt n ALA 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wwt s VAL 81 N -1.49 0.07 0.27 0.00 0.11 -1.26 -5.11 120.40 112.99 1wwt s VAL 81 Ca 0.04 -0.57 -0.27 0.00 -2.93 0.00 0.00 61.98 58.25 1wwt s VAL 81 Cb -0.01 -0.77 -0.15 0.00 -1.53 0.00 0.00 36.38 33.92 1wwt s VAL 81 CO 0.62 -0.31 0.70 0.00 -3.33 0.00 0.00 175.10 172.77 1wwt n TYR 82 N 0.94 0.13 -1.97 1.54 4.11 -1.26 -3.82 117.16 116.83 1wwt n TYR 82 Ca -0.20 0.81 -0.01 0.00 -0.00 0.00 0.00 57.90 58.50 1wwt n TYR 82 Cb 0.58 -2.07 0.00 0.00 -0.00 0.00 0.00 39.34 37.85 1wwt n TYR 82 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1wwt n SER 83 N 1.62 -3.85 0.00 9.48 2.88 -1.26 -5.04 113.62 117.45 1wwt n SER 83 Ca 0.14 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 1wwt n SER 83 Cb 0.30 -2.37 0.00 0.00 -0.75 0.00 0.00 64.21 61.39 1wwt n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wwt n GLY 84 N -0.93 -1.62 0.11 0.46 0.00 -1.25 -4.59 105.19 97.37 1wwt n GLY 84 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1wwt n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wwt h PRO 85 N 0.00 -0.14 0.00 1.61 0.13 -1.96 -3.47 132.00 128.17 1wwt h PRO 85 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1wwt h PRO 85 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1wwt h PRO 85 CO 0.00 0.33 0.00 0.45 -0.23 0.00 0.00 178.00 178.55 1wwt n SER 86 N -4.85 0.00 -3.49 1.44 2.88 -1.26 -4.30 113.62 104.04 1wwt n SER 86 Ca -0.07 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.18 1wwt n SER 86 Cb 0.27 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.61 1wwt n SER 86 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wwt s SER 87 N 0.00 2.88 0.00 -3.46 0.15 -1.26 -5.20 113.70 106.81 1wwt s SER 87 Ca 0.00 -2.35 0.25 0.00 0.70 0.00 0.00 55.95 54.55 1wwt s SER 87 Cb 0.00 -0.48 0.43 0.00 -1.71 0.00 0.00 66.02 64.25 1wwt s SER 87 CO 0.00 -0.29 1.39 0.61 1.20 0.00 0.00 173.24 176.16