#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cyu s ILE 2 N 0.00 -0.93 -0.17 1.12 1.10 -1.26 -5.12 121.20 115.94 1cyu s ILE 2 Ca 0.00 -0.27 -0.29 0.00 -0.51 0.00 0.00 60.65 59.58 1cyu s ILE 2 Cb 0.00 0.00 -0.01 0.00 0.15 0.00 0.00 42.46 42.60 1cyu s ILE 2 CO 0.00 0.00 1.15 -2.16 -2.11 0.00 0.00 174.94 171.82 1cyu s PRO 3 N 1.58 4.27 -0.84 3.50 0.04 -1.26 -4.98 135.00 137.32 1cyu s PRO 3 Ca 0.20 1.53 -0.19 0.00 0.04 0.00 0.00 61.00 62.58 1cyu s PRO 3 Cb -0.02 -3.67 0.12 0.00 0.04 0.00 0.00 34.50 30.97 1cyu s PRO 3 CO -0.07 -0.61 1.02 0.20 0.04 0.00 0.00 177.00 177.58 1cyu s GLY 4 N 1.56 1.88 -1.44 0.56 0.00 -1.26 -4.41 107.32 104.21 1cyu s GLY 4 Ca 0.50 -2.60 -0.00 0.00 0.00 0.00 0.00 44.72 42.63 1cyu s GLY 4 CO 0.13 1.91 0.33 0.61 0.00 0.00 0.00 173.10 176.08 1cyu n GLY 5 N 5.32 -0.20 0.00 0.20 0.00 -1.26 -4.82 105.19 104.43 1cyu n GLY 5 Ca 0.15 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.44 0.00 0.00 0.99 7.94 -1.26 -4.28 117.00 115.95 1cyu n LEU 6 Ca -0.32 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.58 1cyu n LEU 6 Cb 0.69 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.64 1cyu n LEU 6 CO 0.77 0.00 0.00 -1.20 -1.11 0.00 0.00 177.39 175.85 1cyu n SER 7 N 0.00 0.00 -4.46 1.96 7.64 -1.26 -3.90 113.62 113.60 1cyu n SER 7 Ca 0.00 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.44 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 3.72 -0.25 1.43 0.41 -1.26 -4.92 118.70 117.83 1cyu s GLU 8 Ca 0.00 -1.94 -0.29 0.00 -0.41 0.00 0.00 54.97 52.33 1cyu s GLU 8 Cb 0.00 -4.97 0.17 0.00 -1.78 0.00 0.00 34.13 27.55 1cyu s GLU 8 CO 0.00 -1.79 1.24 0.00 -0.49 0.00 0.00 175.26 174.22 1cyu s ALA 9 N 2.49 -2.07 0.36 5.21 0.00 -1.25 -0.90 121.76 125.61 1cyu s ALA 9 Ca 0.36 1.77 0.07 0.00 0.00 0.00 0.00 51.96 54.16 1cyu s ALA 9 Cb -0.04 -1.30 -0.07 0.00 0.00 0.00 0.00 23.12 21.70 1cyu s ALA 9 CO -0.07 -0.24 -0.03 0.15 0.00 0.00 0.00 175.76 175.57 1cyu s LYS 10 N -0.83 1.83 -0.43 0.00 3.01 -1.12 -4.89 119.74 117.31 1cyu s LYS 10 Ca 0.05 -2.00 -0.29 0.00 -1.01 0.00 0.00 55.97 52.73 1cyu s LYS 10 Cb -0.02 -1.52 0.02 0.00 -1.01 0.00 0.00 37.83 35.31 1cyu s LYS 10 CO -0.06 0.01 1.17 -1.25 0.51 0.00 0.00 175.35 175.73 1cyu s PRO 11 N -3.70 3.78 -0.36 -1.68 0.04 -1.26 -1.78 135.00 130.05 1cyu s PRO 11 Ca 0.34 0.75 -0.02 0.00 0.04 0.00 0.00 61.00 62.10 1cyu s PRO 11 Cb 0.07 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.72 1cyu s PRO 11 CO 0.17 -1.30 0.28 0.00 0.04 0.00 0.00 177.00 176.18 1cyu n ALA 12 N 7.77 -1.80 -0.87 8.56 0.00 -1.01 -4.79 120.51 128.37 1cyu n ALA 12 Ca 0.13 -0.09 -0.35 0.00 0.00 0.00 0.00 53.44 53.12 1cyu n ALA 12 Cb 0.48 -0.40 0.09 0.00 0.00 0.00 0.00 19.45 19.62 1cyu n ALA 12 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1cyu n THR 13 N -1.31 0.00 1.15 0.00 -2.24 -1.26 -4.48 114.28 106.13 1cyu n THR 13 Ca -0.14 -0.22 0.11 0.00 -2.27 0.00 0.00 64.05 61.53 1cyu n THR 13 Cb 0.32 -0.27 0.60 0.00 -2.10 0.00 0.00 70.33 68.87 1cyu n THR 13 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1cyu n PRO 14 N 0.52 0.40 -0.09 -0.78 -0.04 -1.26 -1.50 135.00 132.26 1cyu n PRO 14 Ca 0.00 0.06 -0.13 0.00 -0.04 0.00 0.00 63.50 63.39 1cyu n PRO 14 Cb 0.64 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.23 0.49 -0.31 0.54 2.13 -1.26 -4.28 120.64 116.71 1cyu n GLU 15 Ca 0.12 0.20 0.03 0.00 0.66 0.00 0.00 57.16 58.17 1cyu n GLU 15 Cb 0.16 -1.34 0.18 0.00 0.27 0.00 0.00 31.44 30.71 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 -0.89 0.93 -0.89 6.31 1.08 -1.88 0.11 117.51 122.28 1cyu h ILE 16 Ca -0.16 -0.30 0.18 0.00 -0.39 0.00 0.00 64.86 64.19 1cyu h ILE 16 Cb 1.06 -0.01 -0.07 0.00 -3.07 0.00 0.00 36.82 34.74 1cyu h ILE 16 CO -0.10 0.16 0.58 0.06 -0.69 0.00 0.00 178.15 178.16 1cyu h GLN 17 N 0.86 0.47 -0.89 2.37 -0.00 -1.49 0.26 115.11 116.70 1cyu h GLN 17 Ca 0.41 -0.03 0.07 0.00 -0.00 0.00 0.00 58.65 59.11 1cyu h GLN 17 Cb 0.36 -0.11 -0.07 0.00 -0.00 0.00 0.00 27.48 27.67 1cyu h GLN 17 CO -0.24 0.31 0.55 1.49 -0.00 0.00 0.00 178.83 180.94 1cyu h GLU 18 N 0.48 0.94 -0.88 0.06 4.81 -0.96 0.19 114.58 119.22 1cyu h GLU 18 Ca 0.46 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.68 1cyu h GLU 18 Cb 1.03 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 30.15 1cyu h GLU 18 CO -0.19 0.63 0.58 0.97 -0.73 0.00 0.00 179.01 180.27 1cyu h ILE 19 N 0.97 1.13 0.00 2.32 -0.00 -0.50 0.71 117.51 122.14 1cyu h ILE 19 Ca 0.40 -0.37 -0.05 0.00 -0.00 0.00 0.00 64.86 64.84 1cyu h ILE 19 Cb 0.23 -0.05 -0.01 0.00 -0.00 0.00 0.00 36.82 36.99 1cyu h ILE 19 CO -0.19 0.20 -0.23 0.58 -0.00 0.00 0.00 178.15 178.51 1cyu h VAL 20 N 1.08 1.05 -0.07 2.19 2.07 -0.46 -0.90 116.25 121.21 1cyu h VAL 20 Ca 0.36 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1cyu h VAL 20 Cb 0.06 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1cyu h VAL 20 CO -0.11 0.22 0.00 -0.67 0.02 0.00 0.00 177.57 177.03 1cyu n ASP 21 N -4.10 2.65 0.00 0.57 -0.08 0.87 -3.14 116.55 113.32 1cyu n ASP 21 Ca -0.02 -1.87 0.00 0.00 -1.51 0.00 0.00 54.79 51.38 1cyu n ASP 21 Cb 0.29 -0.03 0.00 0.00 2.34 0.00 0.00 41.12 43.72 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 1.06 0.00 0.00 -0.67 4.81 0.21 -4.19 118.16 119.38 1cyu n LYS 22 Ca 0.16 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.73 1cyu n LYS 22 Cb 0.53 -0.40 0.54 0.00 0.02 0.00 0.00 35.03 35.72 1cyu n LYS 22 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1cyu n VAL 23 N -2.48 0.00 -2.75 3.15 0.31 -0.63 -3.85 118.33 112.08 1cyu n VAL 23 Ca 0.00 -0.02 -0.20 0.00 -0.01 0.00 0.00 64.34 64.12 1cyu n VAL 23 Cb 0.00 -0.20 -0.00 0.00 -0.91 0.00 0.00 33.84 32.73 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 -1.32 2.22 0.00 5.55 5.02 -1.18 -4.85 118.16 123.60 1cyu n LYS 24 Ca 0.09 -3.97 0.06 0.00 -2.02 0.00 0.00 58.31 52.48 1cyu n LYS 24 Cb 0.31 -1.83 0.37 0.00 -0.02 0.00 0.00 35.03 33.86 1cyu n LYS 24 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1cyu n PRO 25 N -0.17 0.69 0.00 1.97 -0.04 -1.22 -0.99 135.00 135.25 1cyu n PRO 25 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1cyu n PRO 25 Cb 0.66 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 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 -0.78 0.00 0.07 0.54 6.02 -1.26 -4.47 117.38 117.50 1cyu n GLN 26 Ca 0.09 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.14 1cyu n GLN 26 Cb 0.04 -0.47 0.30 0.00 1.02 0.00 0.00 30.24 31.13 1cyu n GLN 26 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1cyu n LEU 27 N -2.99 0.27 0.03 1.08 4.77 -1.20 0.39 117.00 119.36 1cyu n LEU 27 Ca 0.00 0.61 0.11 0.00 -0.03 0.00 0.00 56.01 56.70 1cyu n LEU 27 Cb 0.46 -0.63 0.04 0.00 -2.33 0.00 0.00 43.42 40.96 1cyu n LEU 27 CO 0.00 -0.64 0.04 1.21 -1.33 0.00 0.00 177.39 176.67 1cyu n GLU 28 N -1.85 0.27 -0.55 3.23 0.00 -0.16 -4.35 120.64 117.22 1cyu n GLU 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1cyu n GLU 28 Cb 0.06 -1.59 0.00 0.00 0.00 0.00 0.00 31.44 29.91 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 -1.94 0.00 -0.08 5.31 0.28 -0.33 -4.45 120.64 119.43 1cyu n GLU 29 Ca 0.02 -0.90 -0.09 0.00 -0.16 0.00 0.00 57.16 56.04 1cyu n GLU 29 Cb 0.43 -0.39 -0.04 0.00 1.43 0.00 0.00 31.44 32.87 1cyu n GLU 29 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1cyu h LYS 30 N 0.05 0.00 -0.70 3.44 3.11 -0.26 -3.30 116.57 118.91 1cyu h LYS 30 Ca -0.02 0.00 0.20 0.00 -2.81 0.00 0.00 60.65 58.03 1cyu h LYS 30 Cb 1.36 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.57 1cyu h LYS 30 CO 0.00 0.25 0.69 0.00 -2.81 0.00 0.00 179.45 177.58 1cyu h THR 31 N -1.00 0.31 -6.83 1.00 1.03 -1.79 -3.43 112.91 102.20 1cyu h THR 31 Ca -0.09 0.00 -0.50 0.00 -0.01 0.00 0.00 66.41 65.81 1cyu h THR 31 Cb 0.69 0.47 -0.12 0.00 -1.07 0.00 0.00 68.15 68.12 1cyu h THR 31 CO -0.05 0.00 -0.81 -0.46 -0.01 0.00 0.00 175.52 174.19 1cyu n ASN 32 N -3.73 -0.59 -4.90 0.00 0.23 -1.25 -4.88 115.26 100.15 1cyu n ASN 32 Ca 0.14 -1.06 -0.28 0.00 -0.53 0.00 0.00 54.58 52.86 1cyu n ASN 32 Cb 0.94 -1.29 -0.00 0.00 -2.08 0.00 0.00 39.78 37.34 1cyu n ASN 32 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1cyu s GLU 33 N -6.74 3.58 -0.24 -3.83 2.56 -1.26 -4.95 118.70 107.82 1cyu s GLU 33 Ca 0.14 0.32 0.02 0.00 0.00 0.00 0.00 54.97 55.45 1cyu s GLU 33 Cb -0.08 -2.33 0.34 0.00 2.00 0.00 0.00 34.13 34.06 1cyu s GLU 33 CO 0.81 -0.24 1.51 -2.37 -0.56 0.00 0.00 175.26 174.41 1cyu n THR 34 N -2.21 2.19 -4.24 -1.70 5.66 -1.26 -4.85 114.28 107.87 1cyu n THR 34 Ca 0.02 -1.05 -0.12 0.00 -3.05 0.00 0.00 64.05 59.85 1cyu n THR 34 Cb 0.55 -0.76 -0.03 0.00 -1.55 0.00 0.00 70.33 68.53 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 -0.32 0.14 -2.89 1.09 4.01 -1.26 -5.05 117.16 112.88 1cyu n TYR 35 Ca 0.31 -1.16 -0.43 0.00 -0.16 0.00 0.00 57.90 56.46 1cyu n TYR 35 Cb 1.08 -0.03 0.01 0.00 -0.31 0.00 0.00 39.34 40.09 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 1.18 4.99 0.96 2.72 0.00 -1.26 -4.48 105.19 109.30 1cyu n GLY 36 Ca -0.04 -2.53 0.03 0.00 0.00 0.00 0.00 46.02 43.48 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 2.01 0.20 -2.90 1.61 5.02 -1.26 -4.88 118.16 117.96 1cyu n LYS 37 Ca 0.29 -1.75 -0.33 0.00 -2.02 0.00 0.00 58.31 54.50 1cyu n LYS 37 Cb 0.34 -0.41 -0.02 0.00 -0.02 0.00 0.00 35.03 34.93 1cyu n LYS 37 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1cyu n LEU 38 N 0.07 5.51 0.00 -0.35 7.99 -1.26 0.44 117.00 129.40 1cyu n LEU 38 Ca 0.05 -5.53 0.02 0.00 -0.01 0.00 0.00 56.01 50.54 1cyu n LEU 38 Cb 0.91 -0.83 0.00 0.00 -0.11 0.00 0.00 43.42 43.40 1cyu n LEU 38 CO -0.02 2.17 0.52 -1.84 -1.51 0.00 0.00 177.39 176.71 1cyu n GLU 39 N 0.05 0.01 -0.73 3.23 0.28 -1.03 -4.83 120.64 117.62 1cyu n GLU 39 Ca 0.36 -0.24 -0.32 0.00 -0.16 0.00 0.00 57.16 56.80 1cyu n GLU 39 Cb 0.34 0.45 0.15 0.00 1.43 0.00 0.00 31.44 33.82 1cyu n GLU 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1cyu n ALA 40 N -2.13 -2.25 -0.10 -1.84 0.00 -1.26 -0.09 120.51 112.84 1cyu n ALA 40 Ca -0.04 -0.68 -0.11 0.00 0.00 0.00 0.00 53.44 52.61 1cyu n ALA 40 Cb 0.25 -1.90 -0.15 0.00 0.00 0.00 0.00 19.45 17.66 1cyu n ALA 40 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1cyu n VAL 41 N -3.93 1.36 0.00 0.00 3.14 0.59 -3.70 118.33 115.79 1cyu n VAL 41 Ca 0.07 -0.79 0.00 0.00 -2.96 0.00 0.00 64.34 60.67 1cyu n VAL 41 Cb 0.54 -0.62 0.00 0.00 -1.06 0.00 0.00 33.84 32.70 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 -2.80 0.00 -3.60 1.45 0.00 -0.58 -2.41 117.38 109.43 1cyu n GLN 42 Ca -0.34 0.00 -0.19 0.00 -0.00 0.00 0.00 57.00 56.48 1cyu n GLN 42 Cb 1.11 0.00 -0.15 0.00 0.00 0.00 0.00 30.24 31.20 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 -0.15 -0.03 3.69 1.13 -0.73 -1.27 117.35 117.99 1cyu s TYR 43 Ca 0.00 0.35 -0.13 0.00 -1.41 0.00 0.00 57.07 55.87 1cyu s TYR 43 Cb 0.00 -0.36 -0.05 0.00 -1.10 0.00 0.00 41.96 40.45 1cyu s TYR 43 CO 0.00 -0.41 0.35 0.21 -2.51 0.00 0.00 175.55 173.19 1cyu s LYS 44 N 2.28 3.85 -0.20 -3.49 2.47 -0.48 -2.79 119.74 121.39 1cyu s LYS 44 Ca 0.04 0.30 -0.05 0.00 -1.56 0.00 0.00 55.97 54.69 1cyu s LYS 44 Cb -0.14 -3.23 -0.03 0.00 -1.46 0.00 0.00 37.83 32.98 1cyu s LYS 44 CO -0.08 0.68 0.01 0.95 0.16 0.00 0.00 175.35 177.07 1cyu s THR 45 N -0.98 4.13 -0.12 3.43 -4.23 -0.08 -1.35 115.64 116.44 1cyu s THR 45 Ca 0.22 -0.26 -0.05 0.00 -1.18 0.00 0.00 61.69 60.43 1cyu s THR 45 Cb -0.16 -2.87 0.06 0.00 1.34 0.00 0.00 72.50 70.88 1cyu s THR 45 CO 0.11 0.43 0.25 0.00 -0.54 0.00 0.00 174.62 174.87 1cyu s GLN 46 N 0.85 0.13 0.00 3.99 -2.07 -0.98 -4.83 119.66 116.75 1cyu s GLN 46 Ca 0.01 0.72 0.00 0.00 -1.82 0.00 0.00 55.36 54.27 1cyu s GLN 46 Cb -0.14 -0.07 0.00 0.00 -1.09 0.00 0.00 33.01 31.71 1cyu s GLN 46 CO 0.02 -0.29 0.00 1.55 -1.32 0.00 0.00 175.29 175.26 1cyu n VAL 47 N 5.31 0.00 0.00 3.63 3.14 -1.26 0.06 118.33 129.21 1cyu n VAL 47 Ca -0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 1cyu n VAL 47 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.28 1cyu n VAL 47 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1cyu n VAL 48 N -0.58 0.00 0.00 1.55 3.14 -1.26 -3.20 118.33 117.98 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 0.86 0.00 0.00 0.00 -1.23 0.99 105.19 105.81 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 -2.88 2.61 -1.04 -1.26 -4.61 114.28 107.09 1cyu n THR 51 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 1cyu n THR 51 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 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 6.83 -0.02 8.00 3.84 0.11 -3.08 114.94 130.61 1cyu s ASN 52 Ca 0.00 1.51 0.03 0.00 0.21 0.00 0.00 52.86 54.61 1cyu s ASN 52 Cb 0.00 -2.47 0.00 0.00 -0.55 0.00 0.00 41.25 38.23 1cyu s ASN 52 CO 0.00 -0.34 -0.09 -0.31 -2.79 0.00 0.00 177.10 173.57 1cyu s TYR 53 N -2.18 0.90 -0.51 0.43 2.02 0.24 -2.32 117.35 115.93 1cyu s TYR 53 Ca 0.58 -0.21 0.02 0.00 -0.37 0.00 0.00 57.07 57.10 1cyu s TYR 53 Cb -0.10 -0.63 0.13 0.00 -0.40 0.00 0.00 41.96 40.97 1cyu s TYR 53 CO 0.17 -0.07 0.27 -0.47 -1.57 0.00 0.00 175.55 173.88 1cyu s TYR 54 N 0.08 3.34 -0.81 2.71 5.04 -0.46 -1.11 117.35 126.13 1cyu s TYR 54 Ca -0.01 -3.01 -0.17 0.00 -2.44 0.00 0.00 57.07 51.45 1cyu s TYR 54 Cb -0.07 -2.95 0.17 0.00 0.35 0.00 0.00 41.96 39.46 1cyu s TYR 54 CO 0.00 -0.80 0.87 0.42 -1.34 0.00 0.00 175.55 174.70 1cyu s ILE 55 N -0.01 5.16 -0.72 3.14 -1.09 0.13 -1.38 121.20 126.44 1cyu s ILE 55 Ca 0.16 -1.88 -0.27 0.00 -2.23 0.00 0.00 60.65 56.42 1cyu s ILE 55 Cb -0.23 -4.58 0.02 0.00 -1.58 0.00 0.00 42.46 36.09 1cyu s ILE 55 CO -0.02 -1.21 1.37 -0.75 -1.23 0.00 0.00 174.94 173.10 1cyu s LYS 56 N 1.50 3.10 0.34 2.79 2.20 -0.40 0.16 119.74 129.44 1cyu s LYS 56 Ca 0.21 -0.11 -0.26 0.00 -0.36 0.00 0.00 55.97 55.45 1cyu s LYS 56 Cb -0.11 -4.22 -0.10 0.00 -1.51 0.00 0.00 37.83 31.89 1cyu s LYS 56 CO -0.06 -2.24 0.97 0.54 -0.36 0.00 0.00 175.35 174.20 1cyu s VAL 57 N 6.25 4.07 -0.04 4.02 0.11 -0.66 -0.30 120.40 133.86 1cyu s VAL 57 Ca 0.40 1.70 -0.08 0.00 -2.93 0.00 0.00 61.98 61.07 1cyu s VAL 57 Cb -0.09 -3.94 -0.05 0.00 -1.53 0.00 0.00 36.38 30.78 1cyu s VAL 57 CO 0.16 0.12 0.24 -0.60 -3.33 0.00 0.00 175.10 171.69 1cyu s ARG 58 N -2.12 3.58 -0.03 1.54 3.52 0.87 -0.89 118.95 125.41 1cyu s ARG 58 Ca 0.52 -0.02 0.05 0.00 -0.13 0.00 0.00 55.73 56.15 1cyu s ARG 58 Cb -0.20 -3.15 0.08 0.00 -1.56 0.00 0.00 34.95 30.13 1cyu s ARG 58 CO 0.25 0.71 1.04 0.00 -0.81 0.00 0.00 175.30 176.49 1cyu n ALA 59 N 1.56 2.09 0.00 6.12 0.00 -1.03 -2.46 120.51 126.79 1cyu n ALA 59 Ca -0.15 -1.41 0.00 0.00 0.00 0.00 0.00 53.44 51.88 1cyu n ALA 59 Cb 0.54 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.25 0.38 0.10 0.00 0.00 1.53 -4.24 105.19 102.71 1cyu n GLY 60 Ca 0.04 -1.90 -0.10 0.00 0.00 0.00 0.00 46.02 44.06 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 0.13 -0.06 1.61 -0.08 -1.26 -4.52 116.55 112.36 1cyu n ASP 61 Ca 0.00 0.01 -0.04 0.00 -1.51 0.00 0.00 54.79 53.25 1cyu n ASP 61 Cb 0.00 0.89 -0.13 0.00 2.34 0.00 0.00 41.12 44.22 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 -2.79 0.98 -4.82 1.67 6.94 -1.26 -4.93 115.26 111.05 1cyu n ASN 62 Ca -0.33 0.00 -0.38 0.00 -0.02 0.00 0.00 54.58 53.85 1cyu n ASN 62 Cb 1.15 1.10 -0.06 0.00 -2.36 0.00 0.00 39.78 39.61 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 -2.58 4.01 -0.23 -3.83 3.01 -1.26 -2.94 119.74 115.92 1cyu s LYS 63 Ca -0.08 0.49 -0.10 0.00 -1.01 0.00 0.00 55.97 55.28 1cyu s LYS 63 Cb 0.06 -3.24 0.10 0.00 -1.01 0.00 0.00 37.83 33.74 1cyu s LYS 63 CO 0.68 0.65 0.52 0.71 0.51 0.00 0.00 175.35 178.43 1cyu s TYR 64 N -0.99 -0.96 0.40 3.18 1.51 -1.26 -2.74 117.35 116.48 1cyu s TYR 64 Ca 0.25 1.81 0.03 0.00 -1.01 0.00 0.00 57.07 58.15 1cyu s TYR 64 Cb -0.17 0.49 0.03 0.00 -0.11 0.00 0.00 41.96 42.20 1cyu s TYR 64 CO 0.15 -0.52 0.25 1.28 -1.11 0.00 0.00 175.55 175.60 1cyu n LEU 65 N 5.06 0.00 -3.48 -1.29 4.32 -0.07 -3.47 117.00 118.07 1cyu n LEU 65 Ca -0.14 -2.16 -0.13 0.00 -0.02 0.00 0.00 56.01 53.56 1cyu n LEU 65 Cb 0.52 0.02 -0.04 0.00 -1.62 0.00 0.00 43.42 42.30 1cyu n LEU 65 CO -0.00 -0.47 0.48 -2.28 -1.22 0.00 0.00 177.39 173.90 1cyu s HIS 66 N -2.07 -0.54 0.22 -1.77 2.46 -1.17 -1.65 115.29 110.77 1cyu s HIS 66 Ca 0.19 0.61 -0.22 0.00 0.47 0.00 0.00 55.06 56.11 1cyu s HIS 66 Cb -0.02 0.50 0.05 0.00 -0.13 0.00 0.00 32.58 32.98 1cyu s HIS 66 CO 0.12 -0.69 0.66 -1.17 -2.47 0.00 0.00 174.74 171.19 1cyu s LEU 67 N -2.06 -0.41 -0.30 8.88 2.96 0.12 0.11 118.68 127.98 1cyu s LEU 67 Ca -0.03 -0.30 -0.03 0.00 -0.22 0.00 0.00 54.13 53.56 1cyu s LEU 67 Cb -0.01 2.66 0.10 0.00 0.50 0.00 0.00 46.19 49.44 1cyu s LEU 67 CO -0.04 -1.15 0.11 -0.75 -1.32 0.00 0.00 176.35 173.20 1cyu s LYS 68 N -3.83 0.42 0.02 1.98 2.36 -1.16 0.19 119.74 119.71 1cyu s LYS 68 Ca 0.06 -0.75 -0.26 0.00 -2.55 0.00 0.00 55.97 52.47 1cyu s LYS 68 Cb -0.03 -1.53 -0.05 0.00 -1.05 0.00 0.00 37.83 35.17 1cyu s LYS 68 CO -0.03 -1.00 0.80 0.08 1.55 0.00 0.00 175.35 176.75 1cyu s VAL 69 N 1.89 4.79 -0.05 4.02 1.01 -0.27 -3.30 120.40 128.50 1cyu s VAL 69 Ca 0.09 1.68 -0.02 0.00 0.00 0.00 0.00 61.98 63.74 1cyu s VAL 69 Cb -0.17 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 32.10 1cyu s VAL 69 CO -0.31 0.31 0.04 0.12 0.00 0.00 0.00 175.10 175.26 1cyu s PHE 70 N 0.25 0.30 -1.31 5.22 5.36 0.52 0.82 117.98 129.15 1cyu s PHE 70 Ca 0.41 0.08 -0.08 0.00 -0.96 0.00 0.00 56.93 56.38 1cyu s PHE 70 Cb -0.20 -0.60 0.14 0.00 -0.34 0.00 0.00 43.02 42.02 1cyu s PHE 70 CO 0.23 -0.24 2.11 1.63 -1.46 0.00 0.00 175.22 177.49 1cyu n LYS 71 N 5.20 4.02 -1.08 10.12 4.76 -1.18 0.03 118.16 140.03 1cyu n LYS 71 Ca -0.05 -3.47 -0.50 0.00 -2.87 0.00 0.00 58.31 51.41 1cyu n LYS 71 Cb 0.50 -2.80 -0.10 0.00 -1.84 0.00 0.00 35.03 30.79 1cyu n LYS 71 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1cyu n SER 72 N 2.98 0.66 -2.84 4.39 7.64 -1.26 -4.39 113.62 120.80 1cyu n SER 72 Ca 0.50 0.61 -0.11 0.00 1.01 0.00 0.00 58.87 60.87 1cyu n SER 72 Cb 0.31 -0.74 0.06 0.00 -1.01 0.00 0.00 64.21 62.83 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 5.93 -1.57 -2.05 -3.43 0.00 -0.13 -3.80 117.00 111.96 1cyu n LEU 73 Ca 0.44 -4.03 -0.13 0.00 0.00 0.00 0.00 56.01 52.29 1cyu n LEU 73 Cb -0.03 0.88 -0.16 0.00 0.00 0.00 0.00 43.42 44.11 1cyu n LEU 73 CO 0.73 2.13 1.67 -0.81 0.00 0.00 0.00 177.39 181.11 1cyu n PRO 74 N 0.36 2.06 0.00 1.96 -0.04 0.28 -3.48 135.00 136.14 1cyu n PRO 74 Ca 0.11 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.50 1cyu n PRO 74 Cb 0.69 -2.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 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 2.49 2.66 0.11 0.55 0.00 -1.26 -4.69 105.19 105.05 1cyu n GLY 75 Ca 0.44 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 46.27 1cyu n GLY 75 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1cyu n GLN 76 N 0.00 0.68 -2.73 1.61 -0.06 -1.26 -5.06 117.38 110.55 1cyu n GLN 76 Ca 0.00 0.07 -0.01 0.00 -2.00 0.00 0.00 57.00 55.06 1cyu n GLN 76 Cb 0.00 -1.56 -0.01 0.00 -4.06 0.00 0.00 30.24 24.61 1cyu n GLN 76 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1cyu n ASN 77 N -2.93 -6.08 -3.41 1.69 4.05 -1.26 -4.99 115.26 102.33 1cyu n ASN 77 Ca -0.34 1.35 -0.26 0.00 0.45 0.00 0.00 54.58 55.78 1cyu n ASN 77 Cb 1.10 -5.03 -0.09 0.00 1.23 0.00 0.00 39.78 36.99 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 1.03 0.70 -0.67 1.20 -0.58 -1.25 -5.02 120.64 116.05 1cyu n GLU 78 Ca -0.11 -3.46 0.05 0.00 -0.42 0.00 0.00 57.16 53.22 1cyu n GLU 78 Cb 0.19 -1.68 -0.03 0.00 -0.57 0.00 0.00 31.44 29.36 1cyu n GLU 78 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1cyu n ASP 79 N 2.22 -3.65 -2.00 1.62 2.03 -1.26 -4.98 116.55 110.53 1cyu n ASP 79 Ca 0.26 0.74 0.00 0.00 0.52 0.00 0.00 54.79 56.31 1cyu n ASP 79 Cb 0.47 -2.03 0.00 0.00 -0.72 0.00 0.00 41.12 38.84 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 -2.61 0.00 0.00 -2.67 -0.00 -1.26 -4.10 117.00 106.36 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 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.69 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 -3.29 1.47 0.31 0.10 -4.43 118.33 112.49 1cyu n VAL 81 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 1cyu n VAL 81 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 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 -0.49 0.00 7.52 4.32 -1.26 -0.35 117.00 126.74 1cyu n LEU 82 Ca 0.00 -4.38 0.01 0.00 -0.02 0.00 0.00 56.01 51.62 1cyu n LEU 82 Cb 0.00 0.59 0.03 0.00 -1.62 0.00 0.00 43.42 42.42 1cyu n LEU 82 CO 0.00 1.93 0.40 0.41 -1.22 0.00 0.00 177.39 178.90 1cyu n THR 83 N 2.42 0.95 -4.28 -5.08 -1.04 -1.23 -4.56 114.28 101.46 1cyu n THR 83 Ca 0.27 0.24 -0.28 0.00 -2.04 0.00 0.00 64.05 62.23 1cyu n THR 83 Cb 0.50 -1.22 -0.10 0.00 -1.82 0.00 0.00 70.33 67.69 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 -2.49 1.73 0.00 3.41 0.00 -1.21 -4.77 107.32 103.99 1cyu s GLY 84 Ca 0.01 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.34 1cyu s GLY 84 CO 0.02 -1.40 0.00 1.58 0.00 0.00 0.00 173.10 173.30 1cyu n TYR 85 N 0.39 0.00 -3.51 1.90 0.18 -1.14 -3.00 117.16 111.97 1cyu n TYR 85 Ca -0.13 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.52 1cyu n TYR 85 Cb 0.54 0.00 -0.04 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 0.95 0.00 -3.48 -1.52 0.30 -4.82 119.66 111.09 1cyu s GLN 86 Ca 0.00 0.01 0.00 0.00 -1.95 0.00 0.00 55.36 53.42 1cyu s GLN 86 Cb 0.00 0.44 0.00 0.00 -0.22 0.00 0.00 33.01 33.23 1cyu s GLN 86 CO 0.00 -0.34 0.00 1.55 -0.25 0.00 0.00 175.29 176.25 1cyu n VAL 87 N 0.45 0.00 0.00 1.09 3.14 -1.26 -3.04 118.33 118.71 1cyu n VAL 87 Ca -0.15 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.23 1cyu n VAL 87 Cb 0.59 -1.45 0.00 0.00 -1.06 0.00 0.00 33.84 31.93 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 -0.41 0.00 0.00 6.55 5.68 -1.25 -3.45 116.55 123.67 1cyu n ASP 88 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1cyu n ASP 88 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1cyu n ASP 88 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1cyu n LYS 89 N 0.00 0.00 0.00 0.11 4.81 -1.26 -3.59 118.16 118.23 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 3.63 0.00 -0.06 3.14 2.04 -1.15 -4.11 115.26 118.75 1cyu n ASN 90 Ca 0.00 0.00 -0.08 0.00 -0.44 0.00 0.00 54.58 54.06 1cyu n ASN 90 Cb 0.00 0.00 -0.05 0.00 -2.53 0.00 0.00 39.78 37.20 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 0.27 -0.33 -3.83 5.02 -1.24 -4.48 118.16 113.58 1cyu n LYS 91 Ca 0.00 0.07 0.03 0.00 -2.02 0.00 0.00 58.31 56.39 1cyu n LYS 91 Cb 0.00 -1.18 0.16 0.00 -0.02 0.00 0.00 35.03 33.99 1cyu n LYS 91 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1cyu n ASP 92 N -2.92 2.70 -4.77 4.39 -0.08 -1.23 -4.91 116.55 109.74 1cyu n ASP 92 Ca -0.20 -2.30 -0.41 0.00 -1.51 0.00 0.00 54.79 50.37 1cyu n ASP 92 Cb 0.70 -0.50 -0.02 0.00 2.34 0.00 0.00 41.12 43.65 1cyu n ASP 92 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1cyu s ASP 93 N -0.48 6.68 -0.29 1.67 2.15 -1.26 -4.74 116.67 120.40 1cyu s ASP 93 Ca 0.23 2.74 -0.16 0.00 0.43 0.00 0.00 52.55 55.79 1cyu s ASP 93 Cb 0.16 -2.65 0.13 0.00 -0.30 0.00 0.00 42.92 40.27 1cyu s ASP 93 CO 0.08 -0.62 0.92 -1.61 -0.17 0.00 0.00 175.17 173.77 1cyu s GLU 94 N -1.58 0.45 -0.96 4.34 2.02 -1.26 -5.09 118.70 116.62 1cyu s GLU 94 Ca 0.51 0.77 -0.19 0.00 0.02 0.00 0.00 54.97 56.09 1cyu s GLU 94 Cb -0.41 0.09 0.13 0.00 0.10 0.00 0.00 34.13 34.04 1cyu s GLU 94 CO 0.53 -0.09 1.17 -0.51 0.02 0.00 0.00 175.26 176.37 1cyu s LEU 95 N 1.38 4.98 0.00 1.80 2.01 -1.26 -4.94 118.68 122.64 1cyu s LEU 95 Ca -0.09 -2.09 0.00 0.00 0.01 0.00 0.00 54.13 51.96 1cyu s LEU 95 Cb -0.04 -2.41 -0.00 0.00 0.01 0.00 0.00 46.19 43.75 1cyu s LEU 95 CO -0.16 -1.06 0.04 0.35 1.01 0.00 0.00 176.35 176.54 1cyu n THR 96 N 5.50 0.00 -0.67 5.49 -2.24 -1.26 -5.11 114.28 115.99 1cyu n THR 96 Ca 0.25 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1cyu n THR 96 Cb 0.49 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1cyu n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cyu n GLY 97 N -0.07 -1.45 0.93 3.38 0.00 -1.26 -5.06 105.19 101.66 1cyu n GLY 97 Ca 0.00 -0.71 0.12 0.00 0.00 0.00 0.00 46.02 45.43 1cyu n GLY 97 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65