#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cyu h ILE 2 N 0.00 1.47 -1.43 2.02 -0.00 -2.03 -3.45 117.51 114.10 1cyu h ILE 2 Ca 0.00 -2.38 0.00 0.00 -0.00 0.00 0.00 64.86 62.48 1cyu h ILE 2 Cb 0.00 2.29 0.00 0.00 -0.00 0.00 0.00 36.82 39.11 1cyu h ILE 2 CO 0.00 0.69 0.00 -0.81 -0.00 0.00 0.00 178.15 178.03 1cyu n PRO 3 N -3.73 0.80 -2.81 2.19 -0.04 -1.26 -4.93 135.00 125.22 1cyu n PRO 3 Ca -0.02 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.00 1cyu n PRO 3 Cb 0.71 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.17 1cyu n PRO 3 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cyu n GLY 4 N 5.00 3.97 4.10 0.55 0.00 -1.26 -4.54 105.19 113.01 1cyu n GLY 4 Ca 0.00 -2.13 -0.31 0.00 0.00 0.00 0.00 46.02 43.58 1cyu n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cyu n GLY 5 N 3.40 -0.33 0.00 -0.02 0.00 -1.26 -4.82 105.19 102.16 1cyu n GLY 5 Ca 0.36 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1cyu n GLY 5 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1cyu n LEU 6 N -4.42 0.00 0.00 0.99 7.94 -1.26 -4.34 117.00 115.91 1cyu n LEU 6 Ca -0.12 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.78 1cyu n LEU 6 Cb 0.59 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.54 1cyu n LEU 6 CO 0.81 0.00 0.00 -1.20 -1.11 0.00 0.00 177.39 175.89 1cyu n SER 7 N 0.00 0.00 -4.48 1.96 7.64 -1.26 -3.93 113.62 113.55 1cyu n SER 7 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 1cyu n SER 7 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1cyu n SER 7 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1cyu s GLU 8 N 0.00 3.70 -0.26 1.43 2.02 -1.26 -4.90 118.70 119.43 1cyu s GLU 8 Ca 0.00 -1.78 -0.28 0.00 0.02 0.00 0.00 54.97 52.93 1cyu s GLU 8 Cb 0.00 -5.07 0.17 0.00 0.10 0.00 0.00 34.13 29.33 1cyu s GLU 8 CO 0.00 -1.89 1.25 0.00 0.02 0.00 0.00 175.26 174.64 1cyu s ALA 9 N 3.08 -2.08 0.30 5.21 0.00 -1.25 -0.95 121.76 126.07 1cyu s ALA 9 Ca 0.38 1.77 0.08 0.00 0.00 0.00 0.00 51.96 54.19 1cyu s ALA 9 Cb -0.03 -1.36 -0.06 0.00 0.00 0.00 0.00 23.12 21.68 1cyu s ALA 9 CO -0.07 -0.23 -0.07 0.15 0.00 0.00 0.00 175.76 175.54 1cyu s LYS 10 N -0.75 1.62 -0.44 0.00 -0.14 -1.15 -4.92 119.74 113.95 1cyu s LYS 10 Ca 0.05 -1.82 -0.29 0.00 -1.36 0.00 0.00 55.97 52.55 1cyu s LYS 10 Cb -0.02 -1.32 0.02 0.00 -1.68 0.00 0.00 37.83 34.83 1cyu s LYS 10 CO -0.07 0.08 1.31 -1.25 -0.76 0.00 0.00 175.35 174.66 1cyu s PRO 11 N -3.69 3.62 0.00 -1.68 0.04 -1.26 -2.38 135.00 129.65 1cyu s PRO 11 Ca 0.30 0.77 0.00 0.00 0.04 0.00 0.00 61.00 62.11 1cyu s PRO 11 Cb 0.03 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.59 1cyu s PRO 11 CO 0.13 -1.51 0.00 0.00 0.04 0.00 0.00 177.00 175.66 1cyu n ALA 12 N 8.47 -1.00 -1.67 8.56 0.00 -0.32 -4.81 120.51 129.74 1cyu n ALA 12 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.30 1cyu n ALA 12 Cb 0.48 -0.24 0.12 0.00 0.00 0.00 0.00 19.45 19.81 1cyu n ALA 12 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1cyu s THR 13 N 0.00 2.01 -1.23 0.00 -4.23 -1.26 -4.78 115.64 106.14 1cyu s THR 13 Ca 0.00 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 60.72 1cyu s THR 13 Cb 0.00 -2.84 0.27 0.00 1.34 0.00 0.00 72.50 71.27 1cyu s THR 13 CO 0.00 -0.00 1.65 -0.81 -0.54 0.00 0.00 174.62 174.92 1cyu n PRO 14 N -3.60 0.16 -0.07 3.99 -0.04 -1.26 -1.41 135.00 132.76 1cyu n PRO 14 Ca 0.07 0.12 -0.07 0.00 -0.04 0.00 0.00 63.50 63.58 1cyu n PRO 14 Cb 0.60 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.54 1cyu n PRO 14 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1cyu n GLU 15 N -1.39 0.43 -0.16 0.54 2.13 -1.26 -3.89 120.64 117.04 1cyu n GLU 15 Ca 0.07 0.19 -0.02 0.00 0.66 0.00 0.00 57.16 58.07 1cyu n GLU 15 Cb 0.20 -1.27 0.06 0.00 0.27 0.00 0.00 31.44 30.70 1cyu n GLU 15 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1cyu h ILE 16 N -0.81 0.63 -0.36 6.31 1.08 -1.93 0.29 117.51 122.72 1cyu h ILE 16 Ca 0.00 -0.05 0.04 0.00 -0.39 0.00 0.00 64.86 64.46 1cyu h ILE 16 Cb 0.79 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 34.99 1cyu h ILE 16 CO 0.00 0.03 0.24 0.06 -0.69 0.00 0.00 178.15 177.79 1cyu h GLN 17 N 0.15 0.34 -0.33 2.37 3.07 -1.48 0.13 115.11 119.36 1cyu h GLN 17 Ca 0.26 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.98 1cyu h GLN 17 Cb 0.38 -0.08 -0.02 0.00 0.08 0.00 0.00 27.48 27.85 1cyu h GLN 17 CO -0.40 0.22 0.21 1.49 0.09 0.00 0.00 178.83 180.44 1cyu h GLU 18 N 0.35 0.43 -0.40 0.06 4.57 -0.54 0.15 114.58 119.21 1cyu h GLU 18 Ca 0.15 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.26 1cyu h GLU 18 Cb 0.17 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 1cyu h GLU 18 CO -0.03 0.30 0.08 0.97 -1.18 0.00 0.00 179.01 179.14 1cyu h ILE 19 N 0.44 1.19 0.00 2.32 -0.00 -0.39 0.18 117.51 121.26 1cyu h ILE 19 Ca 0.12 -0.68 0.00 0.00 -0.00 0.00 0.00 64.86 64.30 1cyu h ILE 19 Cb -0.03 0.80 0.00 0.00 -0.00 0.00 0.00 36.82 37.58 1cyu h ILE 19 CO -0.02 0.25 0.00 0.58 -0.00 0.00 0.00 178.15 178.95 1cyu h VAL 20 N 0.58 0.00 -0.48 2.19 2.07 -0.56 -1.21 116.25 118.83 1cyu h VAL 20 Ca 0.13 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1cyu h VAL 20 Cb 0.25 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1cyu h VAL 20 CO -0.00 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 176.92 1cyu n ASP 21 N -3.05 3.57 0.02 0.57 -0.08 -0.01 -3.29 116.55 114.29 1cyu n ASP 21 Ca 0.00 -1.98 -0.00 0.00 -1.51 0.00 0.00 54.79 51.30 1cyu n ASP 21 Cb 0.27 -0.32 -0.00 0.00 2.34 0.00 0.00 41.12 43.41 1cyu n ASP 21 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1cyu n LYS 22 N 1.49 0.00 0.10 -0.67 3.00 -0.62 -4.43 118.16 117.03 1cyu n LYS 22 Ca 0.20 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.64 1cyu n LYS 22 Cb 0.60 -0.21 0.36 0.00 0.00 0.00 0.00 35.03 35.78 1cyu n LYS 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1cyu n VAL 23 N -2.92 0.56 -2.84 3.15 0.31 -0.56 -3.84 118.33 112.19 1cyu n VAL 23 Ca -0.00 -0.29 -0.19 0.00 -0.01 0.00 0.00 64.34 63.85 1cyu n VAL 23 Cb 0.00 -0.51 -0.01 0.00 -0.91 0.00 0.00 33.84 32.41 1cyu n VAL 23 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1cyu n LYS 24 N -2.25 1.98 0.00 5.55 4.76 -1.19 -4.87 118.16 122.14 1cyu n LYS 24 Ca 0.05 -3.87 0.09 0.00 -2.87 0.00 0.00 58.31 51.71 1cyu n LYS 24 Cb 0.43 -1.79 0.53 0.00 -1.84 0.00 0.00 35.03 32.37 1cyu n LYS 24 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1cyu n PRO 25 N -0.08 0.61 -0.05 1.97 -0.04 -1.21 -1.55 135.00 134.65 1cyu n PRO 25 Ca 0.24 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.61 1cyu n PRO 25 Cb 0.65 -1.46 -0.04 0.00 -0.04 0.00 0.00 33.50 32.61 1cyu n PRO 25 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1cyu n GLN 26 N -0.96 0.25 0.29 0.54 1.13 -1.26 -4.27 117.38 113.10 1cyu n GLN 26 Ca 0.13 0.08 0.19 0.00 -1.94 0.00 0.00 57.00 55.46 1cyu n GLN 26 Cb 0.06 -1.08 1.01 0.00 0.11 0.00 0.00 30.24 30.34 1cyu n GLN 26 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1cyu h LEU 27 N -0.16 0.00 0.00 1.08 -0.00 -1.81 -0.71 115.31 113.71 1cyu h LEU 27 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.63 1cyu h LEU 27 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.97 1cyu h LEU 27 CO -0.09 0.00 -0.66 1.21 -0.00 0.00 0.00 178.44 178.90 1cyu n GLU 28 N -2.86 0.01 -2.42 1.13 0.00 -0.60 -4.28 120.64 111.63 1cyu n GLU 28 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.15 1cyu n GLU 28 Cb 0.09 -1.50 0.04 0.00 0.00 0.00 0.00 31.44 30.07 1cyu n GLU 28 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1cyu n GLU 29 N -1.51 1.19 0.03 5.31 0.28 -0.39 -4.70 120.64 120.86 1cyu n GLU 29 Ca 0.05 -2.87 0.00 0.00 -0.16 0.00 0.00 57.16 54.18 1cyu n GLU 29 Cb 0.34 -0.97 0.00 0.00 1.43 0.00 0.00 31.44 32.23 1cyu n GLU 29 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1cyu n LYS 30 N -0.36 0.00 -0.49 3.44 4.81 -0.52 -4.64 118.16 120.40 1cyu n LYS 30 Ca 0.04 0.00 0.43 0.00 -0.87 0.00 0.00 58.31 57.91 1cyu n LYS 30 Cb 0.90 -0.23 0.78 0.00 0.02 0.00 0.00 35.03 36.49 1cyu n LYS 30 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1cyu h THR 31 N 0.00 0.21 -5.51 3.15 1.03 -1.77 -3.42 112.91 106.60 1cyu h THR 31 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 66.41 66.06 1cyu h THR 31 Cb 0.00 0.22 -0.21 0.00 -1.07 0.00 0.00 68.15 67.09 1cyu h THR 31 CO 0.00 0.00 -0.50 -0.46 -0.01 0.00 0.00 175.52 174.55 1cyu n ASN 32 N -4.04 -1.17 -4.50 0.00 0.23 -1.26 -4.81 115.26 99.71 1cyu n ASN 32 Ca 0.34 -0.59 -0.31 0.00 -0.53 0.00 0.00 54.58 53.49 1cyu n ASN 32 Cb 1.60 -1.05 0.19 0.00 -2.08 0.00 0.00 39.78 38.44 1cyu n ASN 32 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1cyu n GLU 33 N -2.76 -1.32 -0.74 -3.83 4.07 -1.26 -4.84 120.64 109.96 1cyu n GLU 33 Ca 0.07 -0.34 -0.14 0.00 -0.06 0.00 0.00 57.16 56.68 1cyu n GLU 33 Cb 0.33 -2.12 0.08 0.00 -0.06 0.00 0.00 31.44 29.68 1cyu n GLU 33 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 1cyu n THR 34 N -4.44 2.37 -2.51 6.31 5.66 -1.26 -4.84 114.28 115.58 1cyu n THR 34 Ca 0.06 -1.23 0.00 0.00 -3.05 0.00 0.00 64.05 59.83 1cyu n THR 34 Cb 0.54 -0.86 0.00 0.00 -1.55 0.00 0.00 70.33 68.46 1cyu n THR 34 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1cyu n TYR 35 N -0.25 0.00 -3.49 1.09 4.01 -1.26 -5.07 117.16 112.19 1cyu n TYR 35 Ca 0.33 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.73 1cyu n TYR 35 Cb 1.00 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.97 1cyu n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1cyu n GLY 36 N 0.01 4.51 1.32 2.72 0.00 -1.26 -4.70 105.19 107.79 1cyu n GLY 36 Ca 0.00 -2.66 0.04 0.00 0.00 0.00 0.00 46.02 43.40 1cyu n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cyu n LYS 37 N 1.64 0.27 -2.87 1.61 4.01 -1.26 -4.88 118.16 116.69 1cyu n LYS 37 Ca 0.25 -2.20 -0.33 0.00 -0.51 0.00 0.00 58.31 55.52 1cyu n LYS 37 Cb 0.37 -0.29 -0.02 0.00 -0.51 0.00 0.00 35.03 34.58 1cyu n LYS 37 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1cyu n LEU 38 N 0.21 5.56 0.00 -0.35 7.99 -1.26 0.40 117.00 129.54 1cyu n LEU 38 Ca 0.08 -5.54 0.00 0.00 -0.01 0.00 0.00 56.01 50.54 1cyu n LEU 38 Cb 1.06 -0.82 0.00 0.00 -0.11 0.00 0.00 43.42 43.55 1cyu n LEU 38 CO -0.04 2.19 0.00 1.21 -1.51 0.00 0.00 177.39 179.24 1cyu n GLU 39 N -0.02 0.00 -1.79 3.23 4.07 -1.13 -4.81 120.64 120.19 1cyu n GLU 39 Ca 0.36 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 57.15 1cyu n GLU 39 Cb 0.34 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.75 1cyu n GLU 39 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1cyu s ALA 40 N -1.00 2.71 -0.22 4.31 0.00 -1.26 -0.60 121.76 125.69 1cyu s ALA 40 Ca 0.00 0.22 0.09 0.00 0.00 0.00 0.00 51.96 52.27 1cyu s ALA 40 Cb 0.00 -3.20 -0.20 0.00 0.00 0.00 0.00 23.12 19.72 1cyu s ALA 40 CO 0.00 -1.03 -0.08 1.55 0.00 0.00 0.00 175.76 176.20 1cyu n VAL 41 N -2.63 1.39 0.00 0.00 3.14 -0.28 -3.96 118.33 116.00 1cyu n VAL 41 Ca 0.08 -0.68 0.00 0.00 -2.96 0.00 0.00 64.34 60.78 1cyu n VAL 41 Cb 0.53 -0.96 0.00 0.00 -1.06 0.00 0.00 33.84 32.36 1cyu n VAL 41 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 1cyu n GLN 42 N -2.99 0.00 -3.64 1.45 0.00 -0.61 -1.18 117.38 110.41 1cyu n GLN 42 Ca -0.38 0.00 -0.16 0.00 -0.00 0.00 0.00 57.00 56.45 1cyu n GLN 42 Cb 1.05 0.00 -0.15 0.00 0.00 0.00 0.00 30.24 31.15 1cyu n GLN 42 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.06 178.58 1cyu s TYR 43 N -2.00 -0.26 0.09 3.69 1.13 -1.00 -1.50 117.35 117.50 1cyu s TYR 43 Ca 0.00 0.64 -0.09 0.00 -1.41 0.00 0.00 57.07 56.21 1cyu s TYR 43 Cb 0.00 -0.22 -0.06 0.00 -1.10 0.00 0.00 41.96 40.58 1cyu s TYR 43 CO 0.00 -0.35 0.39 0.21 -2.51 0.00 0.00 175.55 173.29 1cyu s LYS 44 N 2.33 3.73 -0.12 -3.49 2.47 -0.51 -2.95 119.74 121.19 1cyu s LYS 44 Ca 0.03 0.12 0.00 0.00 -1.56 0.00 0.00 55.97 54.56 1cyu s LYS 44 Cb -0.13 -2.97 -0.01 0.00 -1.46 0.00 0.00 37.83 33.26 1cyu s LYS 44 CO -0.08 0.55 -0.14 0.95 0.16 0.00 0.00 175.35 176.79 1cyu s THR 45 N -1.44 2.97 -0.16 3.43 -4.23 -0.12 -1.41 115.64 114.68 1cyu s THR 45 Ca 0.34 -0.70 -0.07 0.00 -1.18 0.00 0.00 61.69 60.08 1cyu s THR 45 Cb -0.13 -2.23 0.07 0.00 1.34 0.00 0.00 72.50 71.54 1cyu s THR 45 CO 0.19 0.53 0.37 0.00 -0.54 0.00 0.00 174.62 175.17 1cyu s GLN 46 N 0.30 0.31 0.00 3.99 -2.07 -1.05 -4.80 119.66 116.34 1cyu s GLN 46 Ca -0.11 0.81 0.00 0.00 -1.82 0.00 0.00 55.36 54.25 1cyu s GLN 46 Cb -0.16 0.06 0.00 0.00 -1.09 0.00 0.00 33.01 31.82 1cyu s GLN 46 CO 0.06 -0.21 0.00 0.28 -1.32 0.00 0.00 175.29 174.10 1cyu n VAL 47 N 4.75 0.00 0.00 3.63 0.31 -1.26 0.35 118.33 126.11 1cyu n VAL 47 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1cyu n VAL 47 Cb 0.52 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 1cyu n VAL 47 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1cyu n VAL 48 N -0.59 0.00 0.00 2.52 3.14 -1.26 -3.22 118.33 118.92 1cyu n VAL 48 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1cyu n VAL 48 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1cyu n VAL 48 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1cyu n ALA 49 N 0.00 0.00 0.00 1.55 0.00 -1.26 -4.92 120.51 115.88 1cyu n ALA 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cyu n ALA 49 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1cyu n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cyu n GLY 50 N 0.00 0.55 0.00 0.00 0.00 -1.25 0.25 105.19 104.75 1cyu n GLY 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1cyu n GLY 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1cyu n THR 51 N 0.00 0.00 -2.02 2.61 -1.04 -1.26 -4.45 114.28 108.12 1cyu n THR 51 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 1cyu n THR 51 Cb 0.00 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 1cyu n THR 51 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1cyu s ASN 52 N 0.00 5.79 -0.01 8.00 3.84 0.16 -3.03 114.94 129.69 1cyu s ASN 52 Ca 0.00 1.78 0.00 0.00 0.21 0.00 0.00 52.86 54.85 1cyu s ASN 52 Cb 0.00 -2.53 0.01 0.00 -0.55 0.00 0.00 41.25 38.18 1cyu s ASN 52 CO 0.00 -1.16 0.01 -0.31 -2.79 0.00 0.00 177.10 172.85 1cyu s TYR 53 N -2.52 0.02 -0.58 0.43 2.02 0.35 -2.52 117.35 114.55 1cyu s TYR 53 Ca 0.63 0.05 -0.02 0.00 -0.37 0.00 0.00 57.07 57.36 1cyu s TYR 53 Cb -0.15 -0.10 0.15 0.00 -0.40 0.00 0.00 41.96 41.46 1cyu s TYR 53 CO 0.38 -0.03 0.38 -0.47 -1.57 0.00 0.00 175.55 174.24 1cyu s TYR 54 N 0.41 3.40 -0.87 2.71 6.14 -0.50 -0.52 117.35 128.12 1cyu s TYR 54 Ca -0.03 -2.77 -0.16 0.00 0.64 0.00 0.00 57.07 54.75 1cyu s TYR 54 Cb -0.05 -3.14 0.18 0.00 0.42 0.00 0.00 41.96 39.37 1cyu s TYR 54 CO -0.01 -0.84 0.93 0.42 0.64 0.00 0.00 175.55 176.69 1cyu s ILE 55 N 0.03 5.20 -0.53 3.14 -1.09 0.17 -1.42 121.20 126.70 1cyu s ILE 55 Ca 0.16 -2.04 -0.28 0.00 -2.23 0.00 0.00 60.65 56.26 1cyu s ILE 55 Cb -0.21 -4.61 0.03 0.00 -1.58 0.00 0.00 42.46 36.09 1cyu s ILE 55 CO -0.03 -1.25 1.14 -0.75 -1.23 0.00 0.00 174.94 172.82 1cyu s LYS 56 N 1.36 3.58 0.19 2.79 2.20 -0.56 0.27 119.74 129.56 1cyu s LYS 56 Ca 0.25 0.33 -0.18 0.00 -0.36 0.00 0.00 55.97 56.01 1cyu s LYS 56 Cb -0.08 -3.97 -0.08 0.00 -1.51 0.00 0.00 37.83 32.19 1cyu s LYS 56 CO -0.09 -1.53 0.65 0.54 -0.36 0.00 0.00 175.35 174.56 1cyu s VAL 57 N 4.63 4.68 0.01 4.02 0.11 -0.86 -1.13 120.40 131.87 1cyu s VAL 57 Ca 0.44 1.11 -0.19 0.00 -2.93 0.00 0.00 61.98 60.41 1cyu s VAL 57 Cb -0.08 -3.81 -0.06 0.00 -1.53 0.00 0.00 36.38 30.90 1cyu s VAL 57 CO 0.28 0.24 0.53 -0.60 -3.33 0.00 0.00 175.10 172.21 1cyu s ARG 58 N -1.93 4.19 -0.10 1.54 3.52 0.23 -1.04 118.95 125.36 1cyu s ARG 58 Ca 0.40 0.63 0.14 0.00 -0.13 0.00 0.00 55.73 56.77 1cyu s ARG 58 Cb -0.16 -3.29 0.25 0.00 -1.56 0.00 0.00 34.95 30.19 1cyu s ARG 58 CO 0.20 0.51 1.13 0.00 -0.81 0.00 0.00 175.30 176.33 1cyu n ALA 59 N 2.28 2.41 0.00 6.12 0.00 -1.15 -2.84 120.51 127.33 1cyu n ALA 59 Ca -0.10 -2.32 0.00 0.00 0.00 0.00 0.00 53.44 51.02 1cyu n ALA 59 Cb 0.51 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1cyu n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cyu n GLY 60 N -0.92 0.23 0.11 0.00 0.00 1.30 -4.08 105.19 101.83 1cyu n GLY 60 Ca 0.12 -1.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.04 1cyu n GLY 60 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cyu n ASP 61 N 0.00 0.57 -0.01 1.61 -0.08 -1.26 -4.54 116.55 112.84 1cyu n ASP 61 Ca 0.00 -0.03 0.07 0.00 -1.51 0.00 0.00 54.79 53.31 1cyu n ASP 61 Cb 0.00 0.64 -0.10 0.00 2.34 0.00 0.00 41.12 44.00 1cyu n ASP 61 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1cyu n ASN 62 N -2.86 1.84 -4.92 1.67 6.94 -1.26 -4.98 115.26 111.69 1cyu n ASN 62 Ca -0.36 -0.09 -0.28 0.00 -0.02 0.00 0.00 54.58 53.84 1cyu n ASN 62 Cb 1.11 1.53 -0.04 0.00 -2.36 0.00 0.00 39.78 40.02 1cyu n ASN 62 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1cyu s LYS 63 N -2.83 3.39 -0.29 -3.83 1.02 -1.26 -3.80 119.74 112.14 1cyu s LYS 63 Ca -0.04 -0.57 -0.15 0.00 0.02 0.00 0.00 55.97 55.24 1cyu s LYS 63 Cb 0.09 -2.96 0.14 0.00 -0.52 0.00 0.00 37.83 34.57 1cyu s LYS 63 CO 0.54 0.55 0.87 0.71 -0.92 0.00 0.00 175.35 177.10 1cyu s TYR 64 N -1.66 -0.82 0.42 3.18 1.51 -1.26 -2.92 117.35 115.80 1cyu s TYR 64 Ca 0.34 1.53 0.05 0.00 -1.01 0.00 0.00 57.07 57.99 1cyu s TYR 64 Cb -0.12 0.49 0.05 0.00 -0.11 0.00 0.00 41.96 42.28 1cyu s TYR 64 CO 0.28 -0.41 0.44 1.28 -1.11 0.00 0.00 175.55 176.04 1cyu n LEU 65 N 4.45 0.00 -3.52 -1.29 4.32 -0.20 -2.81 117.00 117.95 1cyu n LEU 65 Ca -0.15 -2.03 -0.12 0.00 -0.02 0.00 0.00 56.01 53.69 1cyu n LEU 65 Cb 0.55 -0.16 -0.04 0.00 -1.62 0.00 0.00 43.42 42.15 1cyu n LEU 65 CO -0.01 -0.57 0.62 -2.28 -1.22 0.00 0.00 177.39 173.92 1cyu s HIS 66 N -1.90 -0.45 0.20 -1.77 2.46 -1.18 -2.04 115.29 110.61 1cyu s HIS 66 Ca 0.34 0.54 -0.23 0.00 0.47 0.00 0.00 55.06 56.18 1cyu s HIS 66 Cb -0.03 0.49 0.05 0.00 -0.13 0.00 0.00 32.58 32.97 1cyu s HIS 66 CO 0.21 -0.55 0.66 -1.17 -2.47 0.00 0.00 174.74 171.43 1cyu s LEU 67 N -1.87 -0.45 -0.30 8.88 2.96 0.14 0.70 118.68 128.76 1cyu s LEU 67 Ca -0.01 -0.22 -0.02 0.00 -0.22 0.00 0.00 54.13 53.66 1cyu s LEU 67 Cb -0.01 2.61 0.10 0.00 0.50 0.00 0.00 46.19 49.40 1cyu s LEU 67 CO -0.03 -1.09 0.11 -0.75 -1.32 0.00 0.00 176.35 173.28 1cyu s LYS 68 N -3.77 0.46 -0.01 1.98 2.36 -1.17 0.46 119.74 120.05 1cyu s LYS 68 Ca 0.05 -0.80 -0.26 0.00 -2.55 0.00 0.00 55.97 52.41 1cyu s LYS 68 Cb -0.03 -1.61 -0.04 0.00 -1.05 0.00 0.00 37.83 35.11 1cyu s LYS 68 CO -0.06 -0.99 0.81 0.08 1.55 0.00 0.00 175.35 176.74 1cyu s VAL 69 N 1.85 4.89 -0.07 4.02 1.01 0.32 -3.29 120.40 129.12 1cyu s VAL 69 Ca 0.09 1.70 -0.01 0.00 0.00 0.00 0.00 61.98 63.76 1cyu s VAL 69 Cb -0.17 -4.15 0.03 0.00 0.00 0.00 0.00 36.38 32.09 1cyu s VAL 69 CO -0.30 0.26 0.01 0.12 0.00 0.00 0.00 175.10 175.19 1cyu s PHE 70 N 0.60 0.57 -1.35 5.22 5.36 0.33 0.13 117.98 128.85 1cyu s PHE 70 Ca 0.42 -0.11 -0.07 0.00 -0.96 0.00 0.00 56.93 56.21 1cyu s PHE 70 Cb -0.20 -0.75 0.11 0.00 -0.34 0.00 0.00 43.02 41.84 1cyu s PHE 70 CO 0.23 -0.31 2.31 1.63 -1.46 0.00 0.00 175.22 177.61 1cyu n LYS 71 N 5.17 4.22 -1.41 10.12 5.02 -1.17 0.19 118.16 140.30 1cyu n LYS 71 Ca -0.06 -3.33 -0.56 0.00 -2.02 0.00 0.00 58.31 52.33 1cyu n LYS 71 Cb 0.50 -2.74 -0.09 0.00 -0.02 0.00 0.00 35.03 32.68 1cyu n LYS 71 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1cyu n SER 72 N 2.57 0.96 -2.72 4.39 7.64 -1.26 -4.35 113.62 120.85 1cyu n SER 72 Ca 0.58 0.94 -0.08 0.00 1.01 0.00 0.00 58.87 61.32 1cyu n SER 72 Cb 0.28 -0.74 0.09 0.00 -1.01 0.00 0.00 64.21 62.84 1cyu n SER 72 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1cyu n LEU 73 N 3.70 -2.17 -2.43 -3.43 0.00 -0.30 -4.19 117.00 108.18 1cyu n LEU 73 Ca 0.28 -3.40 -0.21 0.00 0.00 0.00 0.00 56.01 52.67 1cyu n LEU 73 Cb -0.05 0.95 -0.11 0.00 0.00 0.00 0.00 43.42 44.20 1cyu n LEU 73 CO 0.75 2.00 2.03 -0.81 0.00 0.00 0.00 177.39 181.36 1cyu n PRO 74 N 0.39 2.56 0.00 1.96 -0.04 0.14 -3.78 135.00 136.24 1cyu n PRO 74 Ca 0.04 -1.59 0.00 0.00 -0.04 0.00 0.00 63.50 61.91 1cyu n PRO 74 Cb 0.71 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 1cyu n PRO 74 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cyu n GLY 75 N 2.43 2.13 0.15 0.55 0.00 -1.26 -4.66 105.19 104.53 1cyu n GLY 75 Ca 0.52 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 1cyu n GLY 75 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1cyu h GLN 76 N 0.00 0.49 -4.93 1.61 5.75 -1.96 -3.49 115.11 112.58 1cyu h GLN 76 Ca 0.00 -0.84 0.00 0.00 -0.15 0.00 0.00 58.65 57.66 1cyu h GLN 76 Cb 0.00 0.31 0.00 0.00 1.07 0.00 0.00 27.48 28.86 1cyu h GLN 76 CO 0.00 1.40 -0.26 -1.71 -2.65 0.00 0.00 178.83 175.61 1cyu n ASN 77 N -3.69 -6.92 -3.58 -0.69 4.05 -1.26 -4.96 115.26 98.20 1cyu n ASN 77 Ca -0.20 0.26 -0.32 0.00 0.45 0.00 0.00 54.58 54.78 1cyu n ASN 77 Cb 1.09 -4.65 -0.05 0.00 1.23 0.00 0.00 39.78 37.40 1cyu n ASN 77 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1cyu n GLU 78 N -0.81 3.10 -0.68 1.20 1.02 -1.26 -5.01 120.64 118.20 1cyu n GLU 78 Ca 0.06 -4.65 0.05 0.00 -0.02 0.00 0.00 57.16 52.61 1cyu n GLU 78 Cb 0.43 -2.33 -0.03 0.00 -0.02 0.00 0.00 31.44 29.49 1cyu n GLU 78 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1cyu n ASP 79 N 0.97 -3.66 -1.90 1.62 2.03 -1.26 -4.96 116.55 109.39 1cyu n ASP 79 Ca 0.29 0.73 0.00 0.00 0.52 0.00 0.00 54.79 56.33 1cyu n ASP 79 Cb 0.39 -2.09 0.00 0.00 -0.72 0.00 0.00 41.12 38.70 1cyu n ASP 79 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cyu n LEU 80 N -2.70 0.00 0.00 -2.67 -0.00 -1.26 -4.21 117.00 106.16 1cyu n LEU 80 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.98 1cyu n LEU 80 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.70 1cyu n LEU 80 CO 0.01 0.00 0.00 0.52 -0.00 0.00 0.00 177.39 177.92 1cyu n VAL 81 N 0.00 0.00 -3.21 1.47 0.31 0.13 -4.36 118.33 112.67 1cyu n VAL 81 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 1cyu n VAL 81 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 1cyu n VAL 81 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1cyu n LEU 82 N 0.00 -0.86 0.00 7.52 4.32 -1.26 -0.51 117.00 126.21 1cyu n LEU 82 Ca 0.00 -4.20 0.00 0.00 -0.02 0.00 0.00 56.01 51.79 1cyu n LEU 82 Cb 0.00 0.62 0.00 0.00 -1.62 0.00 0.00 43.42 42.42 1cyu n LEU 82 CO 0.00 1.94 0.43 0.41 -1.22 0.00 0.00 177.39 178.95 1cyu n THR 83 N 2.37 1.39 -4.25 -5.08 -1.04 -1.23 -4.52 114.28 101.92 1cyu n THR 83 Ca 0.24 0.36 -0.30 0.00 -2.04 0.00 0.00 64.05 62.31 1cyu n THR 83 Cb 0.51 -1.36 -0.10 0.00 -1.82 0.00 0.00 70.33 67.57 1cyu n THR 83 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1cyu s GLY 84 N -2.68 1.81 0.00 3.41 0.00 -1.21 -4.79 107.32 103.86 1cyu s GLY 84 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.54 1cyu s GLY 84 CO 0.00 -1.14 0.00 1.58 0.00 0.00 0.00 173.10 173.54 1cyu n TYR 85 N 0.81 0.00 -3.61 1.90 0.18 -1.19 -3.03 117.16 112.22 1cyu n TYR 85 Ca -0.13 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.56 1cyu n TYR 85 Cb 0.52 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.46 1cyu n TYR 85 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 1cyu s GLN 86 N 0.00 1.38 0.00 -3.48 -1.52 0.22 -4.86 119.66 111.40 1cyu s GLN 86 Ca 0.00 -0.64 0.00 0.00 -1.95 0.00 0.00 55.36 52.77 1cyu s GLN 86 Cb 0.00 0.55 0.00 0.00 -0.22 0.00 0.00 33.01 33.34 1cyu s GLN 86 CO 0.00 -0.62 0.00 1.55 -0.25 0.00 0.00 175.29 175.97 1cyu n VAL 87 N -0.40 0.00 -0.56 1.09 3.14 -1.26 -3.13 118.33 117.21 1cyu n VAL 87 Ca -0.11 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.27 1cyu n VAL 87 Cb 0.62 -0.69 0.00 0.00 -1.06 0.00 0.00 33.84 32.71 1cyu n VAL 87 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1cyu n ASP 88 N -2.09 0.00 0.00 6.55 5.75 -1.23 -3.43 116.55 122.10 1cyu n ASP 88 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1cyu n ASP 88 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1cyu n ASP 88 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1cyu n LYS 89 N 0.00 0.00 0.00 0.11 4.81 -1.26 -3.76 118.16 118.05 1cyu n LYS 89 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1cyu n LYS 89 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1cyu n LYS 89 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1cyu n ASN 90 N 2.48 0.00 -0.12 3.14 2.04 -1.25 -4.32 115.26 117.22 1cyu n ASN 90 Ca 0.00 0.00 -0.22 0.00 -0.44 0.00 0.00 54.58 53.92 1cyu n ASN 90 Cb 0.00 0.00 -0.10 0.00 -2.53 0.00 0.00 39.78 37.15 1cyu n ASN 90 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1cyu n LYS 91 N 0.00 0.56 -0.49 -3.83 4.01 -1.25 -4.29 118.16 112.87 1cyu n LYS 91 Ca 0.00 0.18 0.01 0.00 -0.51 0.00 0.00 58.31 58.00 1cyu n LYS 91 Cb 0.00 -1.44 0.20 0.00 -0.51 0.00 0.00 35.03 33.28 1cyu n LYS 91 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1cyu n ASP 92 N -3.65 3.46 -4.56 4.39 2.03 -1.12 -4.84 116.55 112.26 1cyu n ASP 92 Ca -0.46 -2.53 -0.20 0.00 0.52 0.00 0.00 54.79 52.12 1cyu n ASP 92 Cb 0.90 -0.61 -0.06 0.00 -0.72 0.00 0.00 41.12 40.63 1cyu n ASP 92 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1cyu s ASP 93 N -0.37 4.25 -0.36 1.67 2.15 -1.26 -4.80 116.67 117.94 1cyu s ASP 93 Ca 0.29 0.05 0.02 0.00 0.43 0.00 0.00 52.55 53.34 1cyu s ASP 93 Cb 0.22 -2.54 0.15 0.00 -0.30 0.00 0.00 42.92 40.44 1cyu s ASP 93 CO 0.08 -3.48 0.32 -1.61 -0.17 0.00 0.00 175.17 170.30 1cyu s GLU 94 N 8.38 0.57 -0.83 4.34 8.01 -1.26 -5.07 118.70 132.84 1cyu s GLU 94 Ca 0.88 -0.93 -0.25 0.00 0.01 0.00 0.00 54.97 54.68 1cyu s GLU 94 Cb -0.12 -0.89 -0.03 0.00 -4.31 0.00 0.00 34.13 28.77 1cyu s GLU 94 CO 0.09 -1.18 1.86 -0.51 0.01 0.00 0.00 175.26 175.53 1cyu s LEU 95 N 1.42 3.23 0.07 1.80 1.02 -1.26 -4.91 118.68 120.05 1cyu s LEU 95 Ca 0.16 -0.47 -0.00 0.00 0.02 0.00 0.00 54.13 53.84 1cyu s LEU 95 Cb -0.17 -2.55 -0.04 0.00 0.02 0.00 0.00 46.19 43.44 1cyu s LEU 95 CO -0.05 -2.51 -0.03 0.42 0.02 0.00 0.00 176.35 174.19 1cyu s THR 96 N 9.23 0.30 0.00 5.49 -4.23 -1.26 -5.08 115.64 120.10 1cyu s THR 96 Ca 0.66 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.33 1cyu s THR 96 Cb -0.08 -1.60 0.00 0.00 1.34 0.00 0.00 72.50 72.16 1cyu s THR 96 CO 0.05 -0.92 0.00 0.61 -0.54 0.00 0.00 174.62 173.81 1cyu n GLY 97 N 0.06 0.65 3.97 3.99 0.00 -1.26 -4.84 105.19 107.75 1cyu n GLY 97 Ca -0.13 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1cyu n GLY 97 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01