#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 5.98 -0.38 1.61 0.15 -1.26 -4.74 113.70 115.06 1wwt s SER 2 Ca 0.00 -2.46 -0.12 0.00 0.70 0.00 0.00 55.95 54.07 1wwt s SER 2 Cb 0.00 -2.05 0.01 0.00 -1.71 0.00 0.00 66.02 62.27 1wwt s SER 2 CO 0.00 -0.57 0.44 -0.24 1.20 0.00 0.00 173.24 174.07 1wwt n SER 3 N 4.18 -7.67 0.13 5.45 2.88 -1.26 -4.98 113.62 112.34 1wwt n SER 3 Ca 0.04 0.71 0.00 0.00 -1.33 0.00 0.00 58.87 58.29 1wwt n SER 3 Cb 0.42 -5.16 0.00 0.00 -0.75 0.00 0.00 64.21 58.72 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 -0.09 -1.73 0.06 0.46 0.00 -1.26 -5.01 105.19 97.62 1wwt n GLY 4 Ca 0.09 0.38 -0.04 0.00 0.00 0.00 0.00 46.02 46.45 1wwt n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wwt h SER 5 N 0.00 0.00 -0.75 1.61 0.02 -1.94 -3.45 113.55 109.04 1wwt h SER 5 Ca 0.00 -0.17 -0.81 0.00 -0.84 0.00 0.00 61.79 59.97 1wwt h SER 5 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1wwt h SER 5 CO 0.00 0.65 0.97 -0.24 -1.14 0.00 0.00 176.83 177.08 1wwt n SER 6 N -4.71 1.28 -4.68 3.07 2.88 -1.26 -4.90 113.62 105.29 1wwt n SER 6 Ca -0.04 0.96 -0.35 0.00 -1.33 0.00 0.00 58.87 58.11 1wwt n SER 6 Cb 0.14 -0.95 -0.09 0.00 -0.75 0.00 0.00 64.21 62.56 1wwt n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wwt s GLY 7 N 4.34 1.91 -0.29 0.46 0.00 -1.26 -4.96 107.32 107.52 1wwt s GLY 7 Ca 1.09 -0.76 -0.25 0.00 0.00 0.00 0.00 44.72 44.80 1wwt s GLY 7 CO 0.72 -0.29 1.16 0.99 0.00 0.00 0.00 173.10 175.68 1wwt s ASP 8 N -0.40 -0.33 0.95 1.64 1.01 -1.26 -5.17 116.67 113.12 1wwt s ASP 8 Ca 0.09 0.63 -0.12 0.00 0.71 0.00 0.00 52.55 53.86 1wwt s ASP 8 Cb -0.12 0.64 0.16 0.00 1.01 0.00 0.00 42.92 44.61 1wwt s ASP 8 CO 0.02 -0.11 1.09 -0.94 0.21 0.00 0.00 175.17 175.44 1wwt s SER 9 N 0.16 2.92 0.32 0.27 1.04 -1.26 -5.01 113.70 112.14 1wwt s SER 9 Ca 0.04 1.57 -0.14 0.00 0.48 0.00 0.00 55.95 57.91 1wwt s SER 9 Cb -0.05 -2.23 0.02 0.00 0.10 0.00 0.00 66.02 63.86 1wwt s SER 9 CO -0.09 -3.00 0.64 -1.59 0.98 0.00 0.00 173.24 170.18 1wwt s LYS 10 N -4.82 1.91 -0.06 4.02 -2.85 -1.26 -4.91 119.74 111.77 1wwt s LYS 10 Ca 0.65 -1.35 -0.30 0.00 -1.00 0.00 0.00 55.97 53.97 1wwt s LYS 10 Cb -0.20 0.55 -0.03 0.00 -2.06 0.00 0.00 37.83 36.09 1wwt s LYS 10 CO 0.58 -0.85 1.22 -1.25 0.10 0.00 0.00 175.35 175.15 1wwt s PRO 11 N -3.22 4.33 0.07 1.78 0.04 -1.26 -0.65 135.00 136.09 1wwt s PRO 11 Ca 0.19 1.69 0.06 0.00 0.04 0.00 0.00 61.00 62.99 1wwt s PRO 11 Cb -0.03 -3.58 -0.03 0.00 0.04 0.00 0.00 34.50 30.89 1wwt s PRO 11 CO 0.12 -0.49 -0.17 0.96 0.04 0.00 0.00 177.00 177.45 1wwt s ILE 12 N 2.39 1.39 -0.12 0.56 -4.36 0.51 -4.80 121.20 116.77 1wwt s ILE 12 Ca 0.56 -1.33 -0.04 0.00 -0.26 0.00 0.00 60.65 59.58 1wwt s ILE 12 Cb -0.25 -1.28 -0.04 0.00 1.25 0.00 0.00 42.46 42.15 1wwt s ILE 12 CO 0.21 -0.08 0.03 -0.75 0.24 0.00 0.00 174.94 174.59 1wwt s LYS 13 N -1.64 3.40 -0.16 0.37 2.47 -1.26 0.10 119.74 123.01 1wwt s LYS 13 Ca 0.03 -0.37 -0.02 0.00 -1.56 0.00 0.00 55.97 54.05 1wwt s LYS 13 Cb -0.10 -2.97 0.05 0.00 -1.46 0.00 0.00 37.83 33.35 1wwt s LYS 13 CO 0.03 0.54 0.00 0.08 0.16 0.00 0.00 175.35 176.16 1wwt s VAL 14 N -0.41 0.70 -0.03 4.02 1.01 -0.65 -1.21 120.40 123.83 1wwt s VAL 14 Ca 0.08 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.38 1wwt s VAL 14 Cb -0.12 -1.04 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 1wwt s VAL 14 CO 0.02 -0.02 0.62 -0.89 0.00 0.00 0.00 175.10 174.83 1wwt s THR 15 N 1.80 4.97 0.82 3.92 2.01 -1.21 -0.83 115.64 127.11 1wwt s THR 15 Ca 0.00 1.28 -0.11 0.00 0.31 0.00 0.00 61.69 63.18 1wwt s THR 15 Cb -0.16 -3.96 0.08 0.00 0.01 0.00 0.00 72.50 68.48 1wwt s THR 15 CO -0.07 0.36 1.10 -0.76 -0.69 0.00 0.00 174.62 174.56 1wwt s LEU 16 N 0.16 2.84 0.00 4.42 1.43 0.15 -1.61 118.68 126.07 1wwt s LEU 16 Ca 0.32 1.79 0.20 0.00 -1.03 0.00 0.00 54.13 55.41 1wwt s LEU 16 Cb -0.18 -4.39 1.17 0.00 0.03 0.00 0.00 46.19 42.82 1wwt s LEU 16 CO 0.17 -2.29 1.61 -0.81 0.23 0.00 0.00 176.35 175.26 1wwt n PRO 17 N -3.68 0.75 0.00 1.29 -0.04 -0.99 -1.82 135.00 130.50 1wwt n PRO 17 Ca 0.09 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.63 1wwt n PRO 17 Cb 0.53 -1.41 -0.09 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.91 0.82 0.00 3.54 9.92 -1.26 -4.97 116.55 123.69 1wwt n ASP 18 Ca 0.15 -0.91 0.00 0.00 -0.53 0.00 0.00 54.79 53.50 1wwt n ASP 18 Cb 0.07 0.98 0.00 0.00 -0.64 0.00 0.00 41.12 41.53 1wwt n ASP 18 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wwt n GLY 19 N 1.39 1.52 3.31 0.44 0.00 -0.76 -5.09 105.19 106.01 1wwt n GLY 19 Ca 0.03 -0.23 -0.32 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 -1.32 -4.26 1.61 3.00 -1.26 -4.56 118.16 111.37 1wwt n LYS 20 Ca 0.00 -0.36 -0.19 0.00 -0.00 0.00 0.00 58.31 57.76 1wwt n LYS 20 Cb 0.00 -1.74 -0.13 0.00 0.00 0.00 0.00 35.03 33.17 1wwt n LYS 20 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1wwt s GLN 21 N -3.49 0.88 0.08 1.64 -0.21 -1.26 0.33 119.66 117.63 1wwt s GLN 21 Ca 0.56 -0.86 -0.00 0.00 0.02 0.00 0.00 55.36 55.08 1wwt s GLN 21 Cb -0.14 -0.89 -0.04 0.00 1.00 0.00 0.00 33.01 32.94 1wwt s GLN 21 CO 0.66 0.21 -0.02 0.08 -2.12 0.00 0.00 175.29 174.10 1wwt s VAL 22 N -1.06 0.33 -0.15 1.09 1.01 -0.01 -4.90 120.40 116.71 1wwt s VAL 22 Ca -0.00 -1.86 -0.05 0.00 0.00 0.00 0.00 61.98 60.06 1wwt s VAL 22 Cb -0.09 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1wwt s VAL 22 CO 0.02 -0.86 0.03 1.51 0.00 0.00 0.00 175.10 175.79 1wwt s ASP 23 N -2.98 5.39 0.23 3.32 1.47 -1.26 -1.64 116.67 121.21 1wwt s ASP 23 Ca 0.11 0.07 -0.01 0.00 1.18 0.00 0.00 52.55 53.91 1wwt s ASP 23 Cb 0.07 -1.82 -0.03 0.00 -0.34 0.00 0.00 42.92 40.79 1wwt s ASP 23 CO -0.06 0.23 0.19 0.00 0.68 0.00 0.00 175.17 176.21 1wwt s ALA 24 N 0.02 1.15 0.02 2.11 0.00 0.12 -4.94 121.76 120.23 1wwt s ALA 24 Ca 0.04 -1.69 0.06 0.00 0.00 0.00 0.00 51.96 50.38 1wwt s ALA 24 Cb -0.13 1.37 -0.02 0.00 0.00 0.00 0.00 23.12 24.35 1wwt s ALA 24 CO 0.01 -0.63 -0.18 -1.21 0.00 0.00 0.00 175.76 173.75 1wwt s GLU 25 N -4.01 1.32 0.36 0.00 2.02 -1.26 0.19 118.70 117.32 1wwt s GLU 25 Ca 0.38 -0.76 -0.28 0.00 0.02 0.00 0.00 54.97 54.32 1wwt s GLU 25 Cb 0.05 -1.34 -0.11 0.00 0.10 0.00 0.00 34.13 32.84 1wwt s GLU 25 CO 0.14 0.35 1.39 -1.54 0.02 0.00 0.00 175.26 175.63 1wwt s SER 26 N -0.81 6.55 -0.89 -0.19 1.04 0.17 -0.95 113.70 118.62 1wwt s SER 26 Ca 0.06 2.86 0.00 0.00 0.48 0.00 0.00 55.95 59.35 1wwt s SER 26 Cb -0.08 -2.66 0.00 0.00 0.10 0.00 0.00 66.02 63.39 1wwt s SER 26 CO 0.01 -0.71 0.00 0.79 0.98 0.00 0.00 173.24 174.31 1wwt n TRP 27 N 0.61 -1.50 0.02 5.02 7.02 -0.83 -4.02 117.44 123.76 1wwt n TRP 27 Ca 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.49 1wwt n TRP 27 Cb 0.41 -2.47 0.00 0.00 -2.42 0.00 0.00 31.31 26.82 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 -2.75 0.00 -3.84 -0.99 4.76 -0.59 -4.92 118.16 109.83 1wwt n LYS 28 Ca -0.12 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.04 1wwt n LYS 28 Cb 0.59 -0.06 -0.03 0.00 -1.84 0.00 0.00 35.03 33.69 1wwt n LYS 28 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1wwt s THR 29 N -1.22 5.29 0.46 -0.18 2.01 -0.13 -4.95 115.64 116.92 1wwt s THR 29 Ca 0.00 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 61.57 1wwt s THR 29 Cb 0.00 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 1wwt s THR 29 CO 0.00 -0.05 0.03 0.42 -0.69 0.00 0.00 174.62 174.33 1wwt s THR 30 N -1.72 1.28 -0.10 -0.82 -4.23 -1.26 -1.99 115.64 106.79 1wwt s THR 30 Ca 0.36 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.13 1wwt s THR 30 Cb -0.12 -2.44 0.30 0.00 1.34 0.00 0.00 72.50 71.58 1wwt s THR 30 CO 0.28 0.00 1.76 1.55 -0.54 0.00 0.00 174.62 177.67 1wwt h PRO 31 N 1.58 0.00 -0.26 3.99 0.13 -1.76 -2.80 132.00 132.88 1wwt h PRO 31 Ca -0.42 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.52 1wwt h PRO 31 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1wwt h PRO 31 CO 0.73 0.12 -0.57 -0.92 -0.23 0.00 0.00 178.00 177.13 1wwt h TYR 32 N 0.00 1.04 0.21 1.56 3.20 -1.88 -2.96 116.97 118.14 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 0.84 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.92 1wwt h TYR 32 CO 0.00 1.19 -0.10 1.96 -1.64 0.00 0.00 178.16 179.57 1wwt h GLN 33 N 0.63 -0.27 -0.47 1.82 4.20 -1.84 -3.00 115.11 116.17 1wwt h GLN 33 Ca 0.01 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.78 1wwt h GLN 33 Cb 1.17 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.95 1wwt h GLN 33 CO 0.12 0.11 -0.30 0.82 -0.67 0.00 0.00 178.83 178.91 1wwt h ILE 34 N -0.85 0.00 -0.19 2.54 2.04 -1.58 0.79 117.51 120.26 1wwt h ILE 34 Ca -0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.85 1wwt h ILE 34 Cb 0.51 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 1wwt h ILE 34 CO 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 178.15 178.07 1wwt h ALA 35 N -0.29 -0.19 -0.97 1.87 0.00 -1.62 0.96 119.26 119.02 1wwt h ALA 35 Ca 0.08 0.02 0.31 0.00 0.00 0.00 0.00 54.91 55.32 1wwt h ALA 35 Cb 0.22 1.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.87 1wwt h ALA 35 CO -0.46 -0.28 0.38 0.00 0.00 0.00 0.00 179.25 178.90 1wwt h GLY 37 N 0.16 -0.93 0.00 0.00 0.00 0.77 -2.19 103.07 100.88 1wwt h GLY 37 Ca 0.69 0.77 0.00 0.00 0.00 0.00 0.00 47.33 48.79 1wwt h GLY 37 CO -0.71 -0.03 0.00 1.39 0.00 0.00 0.00 176.54 177.19 1wwt n ILE 38 N -5.27 0.00 -3.60 2.60 -0.00 0.57 -4.78 119.36 108.88 1wwt n ILE 38 Ca -0.00 1.44 -0.14 0.00 -0.00 0.00 0.00 62.75 64.04 1wwt n ILE 38 Cb 0.29 -1.97 -0.07 0.00 -0.00 0.00 0.00 39.64 37.89 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 -2.92 -0.67 -0.08 4.38 0.01 -0.82 -5.12 113.70 108.47 1wwt s SER 39 Ca 0.00 1.14 -0.30 0.00 1.31 0.00 0.00 55.95 58.10 1wwt s SER 39 Cb 0.00 1.10 -0.08 0.00 0.21 0.00 0.00 66.02 67.25 1wwt s SER 39 CO 0.00 -0.33 2.06 0.00 0.41 0.00 0.00 173.24 175.38 1wwt n GLN 40 N 2.08 2.40 0.00 12.44 -0.00 -1.24 -2.11 117.38 130.93 1wwt n GLN 40 Ca -0.15 0.81 0.00 0.00 -0.00 0.00 0.00 57.00 57.66 1wwt n GLN 40 Cb 0.56 -3.03 0.00 0.00 -0.00 0.00 0.00 30.24 27.77 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 5.06 1.17 0.06 2.61 0.00 -1.26 -4.97 105.19 107.86 1wwt n GLY 41 Ca 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.04 -0.86 0.99 6.46 -1.73 -1.39 115.31 118.74 1wwt h LEU 42 Ca 0.00 -0.30 0.01 0.00 -0.12 0.00 0.00 57.88 57.48 1wwt h LEU 42 Cb 0.00 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 39.90 1wwt h LEU 42 CO 0.00 0.28 0.57 0.00 -0.62 0.00 0.00 178.44 178.67 1wwt h ALA 43 N 0.60 1.10 -0.48 1.25 0.00 -1.80 -1.96 119.26 117.98 1wwt h ALA 43 Ca -0.00 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1wwt h ALA 43 Cb 0.33 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1wwt h ALA 43 CO 0.01 0.49 0.19 0.22 0.00 0.00 0.00 179.25 180.15 1wwt h ASP 44 N 1.16 0.22 -0.30 0.00 3.58 -1.90 -2.62 116.42 116.56 1wwt h ASP 44 Ca 0.32 0.05 -0.69 0.00 0.42 0.00 0.00 57.03 57.13 1wwt h ASP 44 Cb -0.12 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 1wwt h ASP 44 CO -0.07 0.16 3.47 -3.20 -2.88 0.00 0.00 179.24 176.71 1wwt n ASN 45 N -4.98 8.44 -3.97 2.28 5.15 -0.54 -4.84 115.26 116.80 1wwt n ASN 45 Ca 0.04 -2.73 -0.13 0.00 -0.60 0.00 0.00 54.58 51.17 1wwt n ASN 45 Cb 0.17 -1.51 -0.13 0.00 -0.53 0.00 0.00 39.78 37.78 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 1.35 0.31 -0.02 -0.44 2.01 -0.99 -4.83 115.64 113.04 1wwt s THR 46 Ca 0.65 -0.53 -0.01 0.00 0.31 0.00 0.00 61.69 62.11 1wwt s THR 46 Cb 0.18 -0.34 -0.01 0.00 0.01 0.00 0.00 72.50 72.35 1wwt s THR 46 CO -0.07 -0.15 -0.02 0.55 -0.69 0.00 0.00 174.62 174.24 1wwt n VAL 47 N 2.34 0.09 -3.67 3.82 3.14 -0.05 -4.99 118.33 119.01 1wwt n VAL 47 Ca -0.17 -0.02 -0.09 0.00 -2.96 0.00 0.00 64.34 61.09 1wwt n VAL 47 Cb 0.57 -1.51 -0.10 0.00 -1.06 0.00 0.00 33.84 31.74 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 -2.03 -0.42 -0.04 1.55 -1.09 -1.26 -4.96 121.20 112.95 1wwt s ILE 48 Ca -0.02 0.15 -0.18 0.00 -2.23 0.00 0.00 60.65 58.36 1wwt s ILE 48 Cb 0.01 -0.64 -0.05 0.00 -1.58 0.00 0.00 42.46 40.20 1wwt s ILE 48 CO 0.03 0.06 0.51 0.00 -1.23 0.00 0.00 174.94 174.31 1wwt s ALA 49 N 2.18 3.54 0.07 9.38 0.00 -1.18 -1.31 121.76 134.44 1wwt s ALA 49 Ca -0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 51.96 51.80 1wwt s ALA 49 Cb -0.11 -2.62 -0.04 0.00 0.00 0.00 0.00 23.12 20.35 1wwt s ALA 49 CO -0.13 0.20 0.25 0.15 0.00 0.00 0.00 175.76 176.23 1wwt s LYS 50 N -0.18 3.48 -0.31 0.00 1.02 -0.03 0.15 119.74 123.87 1wwt s LYS 50 Ca 0.27 -0.34 -0.02 0.00 0.02 0.00 0.00 55.97 55.90 1wwt s LYS 50 Cb -0.17 -3.00 0.11 0.00 -0.52 0.00 0.00 37.83 34.25 1wwt s LYS 50 CO 0.14 0.58 0.13 0.08 -0.92 0.00 0.00 175.35 175.36 1wwt s VAL 51 N -1.52 0.46 0.00 3.17 1.01 0.41 -2.98 120.40 120.95 1wwt s VAL 51 Ca 0.36 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1wwt s VAL 51 Cb -0.13 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.89 1wwt s VAL 51 CO 0.26 -0.74 0.00 -3.20 0.00 0.00 0.00 175.10 171.42 1wwt n ASN 52 N 4.85 -1.87 0.00 3.32 2.85 -1.06 -3.04 115.26 120.31 1wwt n ASN 52 Ca -0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 1wwt n ASN 52 Cb 0.41 -0.48 0.00 0.00 1.24 0.00 0.00 39.78 40.95 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 1.94 -2.67 -4.03 1.20 2.85 -1.26 -4.95 115.26 108.34 1wwt n ASN 53 Ca 0.00 0.00 -0.21 0.00 -0.11 0.00 0.00 54.58 54.26 1wwt n ASN 53 Cb 0.26 -0.46 -0.16 0.00 1.24 0.00 0.00 39.78 40.66 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 0.90 0.16 3.44 -7.23 -1.17 -5.10 120.40 109.40 1wwt s VAL 54 Ca 0.00 -0.43 -0.33 0.00 -1.81 0.00 0.00 61.98 59.41 1wwt s VAL 54 Cb 0.00 -0.79 -0.16 0.00 0.56 0.00 0.00 36.38 35.99 1wwt s VAL 54 CO 0.00 0.28 1.21 0.52 -0.31 0.00 0.00 175.10 176.79 1wwt n VAL 55 N 3.25 0.74 -4.05 1.32 0.31 -1.26 0.16 118.33 118.80 1wwt n VAL 55 Ca -0.18 -0.19 -0.12 0.00 -0.01 0.00 0.00 64.34 63.84 1wwt n VAL 55 Cb 0.54 -0.88 -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 -0.06 0.54 0.41 3.52 -0.11 0.41 -4.66 118.94 118.98 1wwt s TRP 56 Ca 0.75 -0.45 -0.14 0.00 1.22 0.00 0.00 56.10 57.47 1wwt s TRP 56 Cb -0.86 -0.33 -0.08 0.00 -1.50 0.00 0.00 33.47 30.70 1wwt s TRP 56 CO 0.51 -0.10 0.83 -0.51 -4.62 0.00 0.00 176.95 173.06 1wwt s ASP 57 N -1.37 6.65 0.10 5.86 1.01 -1.26 -3.13 116.67 124.53 1wwt s ASP 57 Ca -0.10 1.33 0.00 0.00 0.71 0.00 0.00 52.55 54.49 1wwt s ASP 57 Cb -0.09 -2.40 -0.23 0.00 1.01 0.00 0.00 42.92 41.21 1wwt s ASP 57 CO 0.00 -0.39 1.21 -0.07 0.21 0.00 0.00 175.17 176.13 1wwt h LEU 58 N 1.49 0.27 -0.06 1.23 3.38 -1.96 -3.03 115.31 116.63 1wwt h LEU 58 Ca -0.47 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.22 1wwt h LEU 58 Cb 1.18 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1wwt h LEU 58 CO 0.63 1.20 -0.03 0.47 0.09 0.00 0.00 178.44 180.80 1wwt n ASP 59 N -3.49 0.13 -4.53 -0.43 8.00 -1.26 -3.82 116.55 111.15 1wwt n ASP 59 Ca -0.05 -0.33 -0.36 0.00 0.71 0.00 0.00 54.79 54.76 1wwt n ASP 59 Cb 0.97 -0.20 -0.11 0.00 -0.02 0.00 0.00 41.12 41.75 1wwt n ASP 59 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1wwt s ARG 60 N -2.50 3.80 0.43 -1.24 3.52 -1.14 -5.07 118.95 116.74 1wwt s ARG 60 Ca 0.30 -0.41 -0.23 0.00 -0.13 0.00 0.00 55.73 55.26 1wwt s ARG 60 Cb 0.20 -3.32 -0.09 0.00 -1.56 0.00 0.00 34.95 30.18 1wwt s ARG 60 CO 0.46 -0.03 1.05 -1.25 -0.81 0.00 0.00 175.30 174.72 1wwt s PRO 61 N 1.20 4.04 1.17 5.12 0.04 -1.26 -4.32 135.00 141.00 1wwt s PRO 61 Ca 0.05 1.47 -0.17 0.00 0.04 0.00 0.00 61.00 62.39 1wwt s PRO 61 Cb -0.14 -2.40 0.20 0.00 0.04 0.00 0.00 34.50 32.20 1wwt s PRO 61 CO 0.04 -0.24 0.43 1.28 0.04 0.00 0.00 177.00 178.55 1wwt n LEU 62 N -0.35 -1.99 -0.06 -3.56 7.99 -0.84 -4.59 117.00 113.60 1wwt n LEU 62 Ca 0.06 -0.25 -0.08 0.00 -0.01 0.00 0.00 56.01 55.74 1wwt n LEU 62 Cb 0.50 -1.04 -0.06 0.00 -0.11 0.00 0.00 43.42 42.72 1wwt n LEU 62 CO 0.43 -3.32 -0.88 -0.62 -1.51 0.00 0.00 177.39 171.49 1wwt n GLU 63 N -3.37 0.76 -3.82 3.23 1.02 -1.26 -1.97 120.64 115.23 1wwt n GLU 63 Ca 0.02 0.05 -0.03 0.00 -0.02 0.00 0.00 57.16 57.19 1wwt n GLU 63 Cb 0.57 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.75 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 -2.24 1.26 -0.49 3.49 -1.05 -1.26 -4.59 118.70 113.82 1wwt s GLU 64 Ca -0.14 -0.77 -0.45 0.00 -0.15 0.00 0.00 54.97 53.46 1wwt s GLU 64 Cb 0.04 0.38 -0.19 0.00 -0.44 0.00 0.00 34.13 33.92 1wwt s GLU 64 CO 0.31 -0.59 1.92 -0.40 0.95 0.00 0.00 175.26 177.45 1wwt n ASP 65 N -0.90 1.01 -3.19 0.83 5.75 -1.26 -4.77 116.55 114.01 1wwt n ASP 65 Ca -0.05 0.89 -0.12 0.00 -0.01 0.00 0.00 54.79 55.50 1wwt n ASP 65 Cb 0.60 -0.91 -0.02 0.00 -1.03 0.00 0.00 41.12 39.76 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 -2.89 5.18 -0.09 0.00 -4.23 -1.26 -3.28 115.64 109.08 1wwt s THR 67 Ca 0.25 -0.35 0.03 0.00 -1.18 0.00 0.00 61.69 60.44 1wwt s THR 67 Cb -0.02 -3.74 0.01 0.00 1.34 0.00 0.00 72.50 70.08 1wwt s THR 67 CO 0.17 -0.22 -0.19 -0.22 -0.54 0.00 0.00 174.62 173.62 1wwt s LEU 68 N -3.43 1.92 -0.12 4.79 2.96 -0.64 -2.55 118.68 121.60 1wwt s LEU 68 Ca 0.39 -0.46 -0.04 0.00 -0.22 0.00 0.00 54.13 53.80 1wwt s LEU 68 Cb -0.11 -1.18 0.06 0.00 0.50 0.00 0.00 46.19 45.46 1wwt s LEU 68 CO 0.29 0.11 0.15 -0.70 -1.32 0.00 0.00 176.35 174.89 1wwt s GLU 69 N 0.47 0.06 0.01 1.98 2.12 -1.16 -2.35 118.70 119.83 1wwt s GLU 69 Ca -0.17 0.35 -0.26 0.00 0.36 0.00 0.00 54.97 55.25 1wwt s GLU 69 Cb -0.17 -0.79 -0.04 0.00 0.26 0.00 0.00 34.13 33.39 1wwt s GLU 69 CO 0.07 -0.45 0.80 -0.51 -0.54 0.00 0.00 175.26 174.62 1wwt s LEU 70 N 2.26 4.39 0.22 2.70 2.01 -1.26 -0.85 118.68 128.15 1wwt s LEU 70 Ca 0.04 1.43 -0.01 0.00 0.01 0.00 0.00 54.13 55.60 1wwt s LEU 70 Cb -0.14 -3.27 -0.04 0.00 0.01 0.00 0.00 46.19 42.75 1wwt s LEU 70 CO -0.08 -0.09 0.41 -0.76 1.01 0.00 0.00 176.35 176.85 1wwt s LEU 71 N 0.43 4.21 0.00 1.79 1.02 -0.42 -4.96 118.68 120.74 1wwt s LEU 71 Ca 0.41 0.42 0.07 0.00 0.02 0.00 0.00 54.13 55.05 1wwt s LEU 71 Cb -0.20 -3.19 0.14 0.00 0.02 0.00 0.00 46.19 42.96 1wwt s LEU 71 CO 0.23 -0.07 1.00 1.17 0.02 0.00 0.00 176.35 178.70 1wwt n LYS 72 N -0.76 1.84 -3.56 1.70 4.81 -1.26 -0.87 118.16 120.06 1wwt n LYS 72 Ca -0.05 -1.51 -0.08 0.00 -0.87 0.00 0.00 58.31 55.81 1wwt n LYS 72 Cb 0.54 -1.16 -0.03 0.00 0.02 0.00 0.00 35.03 34.40 1wwt n LYS 72 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 1wwt s PHE 73 N -0.85 -0.27 -0.50 5.64 5.36 -1.26 -4.89 117.98 121.20 1wwt s PHE 73 Ca 0.12 0.30 0.08 0.00 -0.96 0.00 0.00 56.93 56.47 1wwt s PHE 73 Cb 0.07 0.50 0.33 0.00 -0.34 0.00 0.00 43.02 43.58 1wwt s PHE 73 CO 0.10 -0.35 0.83 -0.85 -1.46 0.00 0.00 175.22 173.49 1wwt n GLU 74 N 0.17 2.27 -3.78 10.12 0.28 -1.26 -4.79 120.64 123.65 1wwt n GLU 74 Ca -0.06 -4.26 -0.29 0.00 -0.16 0.00 0.00 57.16 52.40 1wwt n GLU 74 Cb 0.59 -2.00 -0.12 0.00 1.43 0.00 0.00 31.44 31.34 1wwt n GLU 74 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1wwt s ASP 75 N -2.89 3.90 0.23 -1.84 2.15 -1.26 -4.81 116.67 112.15 1wwt s ASP 75 Ca 0.44 -3.29 0.00 0.00 0.43 0.00 0.00 52.55 50.13 1wwt s ASP 75 Cb 0.28 -1.29 0.00 0.00 -0.30 0.00 0.00 42.92 41.61 1wwt s ASP 75 CO -0.11 -0.17 0.00 1.21 -0.17 0.00 0.00 175.17 175.94 1wwt n GLU 76 N 2.68 0.00 -4.13 4.34 2.13 -1.26 -5.15 120.64 119.25 1wwt n GLU 76 Ca 0.16 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.87 1wwt n GLU 76 Cb 0.36 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.99 1wwt n GLU 76 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1wwt s GLU 77 N -2.00 1.22 0.58 5.31 2.12 -1.26 -5.18 118.70 119.49 1wwt s GLU 77 Ca 0.00 -1.48 0.07 0.00 0.36 0.00 0.00 54.97 53.92 1wwt s GLU 77 Cb 0.00 0.32 0.08 0.00 0.26 0.00 0.00 34.13 34.79 1wwt s GLU 77 CO 0.00 -0.42 0.80 0.00 -0.54 0.00 0.00 175.26 175.09 1wwt s ALA 78 N -4.09 4.44 0.49 6.30 0.00 -1.26 -5.00 121.76 122.64 1wwt s ALA 78 Ca 0.31 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 50.33 1wwt s ALA 78 Cb 0.05 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.54 1wwt s ALA 78 CO 0.08 -0.88 0.00 1.04 0.00 0.00 0.00 175.76 176.00 1wwt n GLN 79 N -2.30 -2.88 -3.66 0.00 1.13 -1.26 -4.87 117.38 103.54 1wwt n GLN 79 Ca 0.14 2.31 -0.24 0.00 -1.94 0.00 0.00 57.00 57.27 1wwt n GLN 79 Cb 0.61 -3.14 0.01 0.00 0.11 0.00 0.00 30.24 27.83 1wwt n GLN 79 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wwt n ALA 80 N -3.34 -2.66 0.07 -1.58 0.00 -1.26 -4.83 120.51 106.91 1wwt n ALA 80 Ca -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1wwt n ALA 80 Cb 0.49 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.98 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 -3.15 0.00 -3.56 0.00 3.14 -1.26 -5.03 118.33 108.47 1wwt n VAL 81 Ca -0.17 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 60.92 1wwt n VAL 81 Cb 0.61 -0.14 -0.15 0.00 -1.06 0.00 0.00 33.84 33.10 1wwt n VAL 81 CO 0.00 0.00 0.00 -0.47 -6.46 0.00 0.00 176.83 169.90 1wwt s TYR 82 N -2.00 0.36 -0.12 1.45 6.14 -1.26 -4.99 117.35 116.93 1wwt s TYR 82 Ca 0.00 -0.83 -0.11 0.00 0.64 0.00 0.00 57.07 56.77 1wwt s TYR 82 Cb 0.00 -0.90 -0.05 0.00 0.42 0.00 0.00 41.96 41.42 1wwt s TYR 82 CO 0.00 -0.78 -0.24 -1.13 0.64 0.00 0.00 175.55 174.04 1wwt n SER 83 N 5.24 1.54 0.00 4.32 3.41 -1.26 -5.07 113.62 121.79 1wwt n SER 83 Ca -0.06 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1wwt n SER 83 Cb 0.43 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1wwt n SER 83 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wwt n GLY 84 N 2.03 0.99 3.29 5.00 0.00 -1.26 -4.87 105.19 110.36 1wwt n GLY 84 Ca -0.19 -2.31 -0.39 0.00 0.00 0.00 0.00 46.02 43.13 1wwt n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wwt n PRO 85 N -0.95 2.30 0.00 1.61 -0.04 -1.26 -4.65 135.00 132.01 1wwt n PRO 85 Ca 0.00 -2.58 0.00 0.00 -0.04 0.00 0.00 63.50 60.88 1wwt n PRO 85 Cb 0.00 -3.38 0.00 0.00 -0.04 0.00 0.00 33.50 30.08 1wwt n PRO 85 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wwt n SER 86 N 9.31 0.00 -2.32 3.54 7.64 -1.26 -4.77 113.62 125.76 1wwt n SER 86 Ca 0.49 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.35 1wwt n SER 86 Cb 0.43 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.62 1wwt n SER 86 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wwt n SER 87 N 1.93 -6.24 0.00 6.43 7.64 -1.26 -5.13 113.62 117.00 1wwt n SER 87 Ca 0.00 1.56 0.00 0.00 1.01 0.00 0.00 58.87 61.44 1wwt n SER 87 Cb 0.00 -4.87 0.00 0.00 -1.01 0.00 0.00 64.21 58.33 1wwt n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64