#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 -0.85 -0.50 2.02 2.07 -1.26 -5.11 121.20 117.58 1cyu s ILE 2 Ca 0.00 -0.68 -0.29 0.00 -1.41 0.00 0.00 60.65 58.28 1cyu s ILE 2 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 42.46 42.61 1cyu s ILE 2 CO 0.00 0.00 1.24 -2.16 -1.91 0.00 0.00 174.94 172.11 1cyu s PRO 3 N 1.09 3.60 -0.93 3.50 0.04 -1.26 -4.01 135.00 137.02 1cyu s PRO 3 Ca 0.26 0.56 -0.20 0.00 0.04 0.00 0.00 61.00 61.67 1cyu s PRO 3 Cb 0.01 -3.98 0.11 0.00 0.04 0.00 0.00 34.50 30.69 1cyu s PRO 3 CO -0.07 -1.55 1.18 0.20 0.04 0.00 0.00 177.00 176.80 1cyu s GLY 4 N 3.11 1.79 -1.46 0.56 0.00 -1.26 -4.15 107.32 105.92 1cyu s GLY 4 Ca 0.50 -2.64 -0.09 0.00 0.00 0.00 0.00 44.72 42.49 1cyu s GLY 4 CO 0.30 2.13 0.77 0.61 0.00 0.00 0.00 173.10 176.91 1cyu n GLY 5 N 5.73 -0.51 0.00 0.20 0.00 -1.26 -4.89 105.19 104.45 1cyu n GLY 5 Ca 0.24 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -4.29 0.00 0.00 0.99 7.94 -1.26 -4.31 117.00 116.07 1cyu n LEU 6 Ca -0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 1cyu n LEU 6 Cb 0.57 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.52 1cyu n LEU 6 CO 0.58 0.00 0.00 -1.20 -1.11 0.00 0.00 177.39 175.66 1cyu n SER 7 N 0.00 0.00 -4.55 1.96 7.64 -1.26 -3.80 113.62 113.61 1cyu n SER 7 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 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 3.74 -0.27 1.43 8.01 -1.26 -4.87 118.70 125.48 1cyu s GLU 8 Ca 0.00 -1.53 -0.28 0.00 0.01 0.00 0.00 54.97 53.17 1cyu s GLU 8 Cb 0.00 -5.35 0.18 0.00 -4.31 0.00 0.00 34.13 24.65 1cyu s GLU 8 CO 0.00 -2.15 1.30 0.00 0.01 0.00 0.00 175.26 174.42 1cyu s ALA 9 N 4.32 -2.11 0.32 5.21 0.00 -1.25 -0.98 121.76 127.27 1cyu s ALA 9 Ca 0.47 1.78 0.09 0.00 0.00 0.00 0.00 51.96 54.29 1cyu s ALA 9 Cb 0.01 -1.48 -0.06 0.00 0.00 0.00 0.00 23.12 21.59 1cyu s ALA 9 CO -0.04 -0.21 -0.09 0.15 0.00 0.00 0.00 175.76 175.58 1cyu s LYS 10 N -0.60 1.73 -0.45 0.00 3.01 -1.14 -4.91 119.74 117.37 1cyu s LYS 10 Ca 0.06 -1.88 -0.29 0.00 -1.01 0.00 0.00 55.97 52.85 1cyu s LYS 10 Cb -0.02 -1.53 0.02 0.00 -1.01 0.00 0.00 37.83 35.28 1cyu s LYS 10 CO -0.09 0.12 1.30 -1.25 0.51 0.00 0.00 175.35 175.94 1cyu s PRO 11 N -3.64 3.61 0.00 -1.68 0.04 -1.26 -2.26 135.00 129.81 1cyu s PRO 11 Ca 0.31 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.10 1cyu s PRO 11 Cb 0.03 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.58 1cyu s PRO 11 CO 0.15 -1.52 0.00 0.00 0.04 0.00 0.00 177.00 175.67 1cyu n ALA 12 N 8.49 -1.34 -1.00 8.56 0.00 -0.30 -4.81 120.51 130.10 1cyu n ALA 12 Ca 0.14 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 0.21 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.34 1.95 -1.33 0.00 -4.23 -1.26 -4.71 115.64 105.71 1cyu s THR 13 Ca 0.00 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 60.74 1cyu s THR 13 Cb 0.00 -2.38 0.35 0.00 1.34 0.00 0.00 72.50 71.81 1cyu s THR 13 CO 0.00 0.00 1.75 -0.81 -0.54 0.00 0.00 174.62 175.02 1cyu n PRO 14 N -4.47 0.25 -0.07 3.99 -0.04 -1.26 -1.38 135.00 132.02 1cyu n PRO 14 Ca 0.05 0.08 -0.07 0.00 -0.04 0.00 0.00 63.50 63.52 1cyu n PRO 14 Cb 0.57 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.34 0.45 -0.20 0.54 4.07 -1.26 -3.82 120.64 119.07 1cyu n GLU 15 Ca 0.10 0.23 -0.01 0.00 -0.06 0.00 0.00 57.16 57.42 1cyu n GLU 15 Cb 0.20 -1.34 0.10 0.00 -0.06 0.00 0.00 31.44 30.35 1cyu n GLU 15 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 1cyu h ILE 16 N -0.86 0.81 0.00 6.31 1.08 -1.92 0.24 117.51 123.17 1cyu h ILE 16 Ca 0.00 -0.15 -0.02 0.00 -0.39 0.00 0.00 64.86 64.30 1cyu h ILE 16 Cb 0.80 0.33 -0.00 0.00 -3.07 0.00 0.00 36.82 34.87 1cyu h ILE 16 CO 0.00 0.08 -0.10 0.06 -0.69 0.00 0.00 178.15 177.50 1cyu h GLN 17 N 0.44 0.00 -0.04 2.37 3.07 -1.46 0.52 115.11 120.01 1cyu h GLN 17 Ca 0.30 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 59.01 1cyu h GLN 17 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.89 1cyu h GLN 17 CO -0.28 0.10 -0.12 1.49 0.09 0.00 0.00 178.83 180.11 1cyu h GLU 18 N 0.00 0.06 -0.25 0.06 4.22 -0.63 0.35 114.58 118.39 1cyu h GLU 18 Ca -0.00 -0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.34 1cyu h GLU 18 Cb 0.19 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1cyu h GLU 18 CO 0.01 0.18 -0.23 0.97 -2.18 0.00 0.00 179.01 177.76 1cyu h ILE 19 N 0.06 1.26 0.00 2.32 -0.00 -0.62 -0.90 117.51 119.63 1cyu h ILE 19 Ca 0.01 -1.22 0.00 0.00 -0.00 0.00 0.00 64.86 63.65 1cyu h ILE 19 Cb 0.25 1.32 0.00 0.00 -0.00 0.00 0.00 36.82 38.39 1cyu h ILE 19 CO 0.02 0.39 0.00 0.52 -0.00 0.00 0.00 178.15 179.08 1cyu n VAL 20 N -4.14 0.43 -0.02 2.19 0.31 0.09 -1.35 118.33 115.85 1cyu n VAL 20 Ca -0.00 0.11 0.09 0.00 -0.01 0.00 0.00 64.34 64.53 1cyu n VAL 20 Cb 0.39 -0.83 -0.17 0.00 -0.91 0.00 0.00 33.84 32.32 1cyu n VAL 20 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1cyu n ASP 21 N -1.24 0.06 -0.06 4.52 -0.08 -0.35 -3.37 116.55 116.04 1cyu n ASP 21 Ca 0.09 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.26 1cyu n ASP 21 Cb 0.12 1.91 -0.04 0.00 2.34 0.00 0.00 41.12 45.44 1cyu n ASP 21 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1cyu n LYS 22 N -2.29 0.24 0.13 -0.67 0.00 -0.98 -3.93 118.16 110.67 1cyu n LYS 22 Ca -0.06 0.09 0.07 0.00 -0.00 0.00 0.00 58.31 58.42 1cyu n LYS 22 Cb 0.61 -0.97 0.03 0.00 -0.00 0.00 0.00 35.03 34.70 1cyu n LYS 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1cyu h VAL 23 N -0.31 0.27 -1.53 0.58 2.07 -1.49 -3.35 116.25 112.49 1cyu h VAL 23 Ca -0.27 -1.44 -0.51 0.00 0.82 0.00 0.00 66.70 65.30 1cyu h VAL 23 Cb 1.27 1.92 -0.41 0.00 -1.52 0.00 0.00 31.29 32.55 1cyu h VAL 23 CO -0.14 0.15 -0.92 0.29 0.02 0.00 0.00 177.57 176.97 1cyu n LYS 24 N -2.94 2.40 0.00 1.57 4.01 -1.17 -4.84 118.16 117.19 1cyu n LYS 24 Ca -0.01 -4.04 0.08 0.00 -0.51 0.00 0.00 58.31 53.84 1cyu n LYS 24 Cb 0.64 -1.87 0.49 0.00 -0.51 0.00 0.00 35.03 33.78 1cyu n LYS 24 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1cyu n PRO 25 N -0.22 0.70 -0.03 1.97 -0.04 -1.22 -1.35 135.00 134.80 1cyu n PRO 25 Ca 0.27 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.66 1cyu n PRO 25 Cb 0.67 -1.37 -0.03 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.87 0.15 0.13 0.54 6.02 -1.26 -4.35 117.38 117.74 1cyu n GLN 26 Ca 0.12 0.06 0.09 0.00 -0.01 0.00 0.00 57.00 57.27 1cyu n GLN 26 Cb 0.06 -0.83 0.48 0.00 1.02 0.00 0.00 30.24 30.97 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 -3.17 0.48 0.02 1.08 4.77 -1.17 -0.12 117.00 118.88 1cyu n LEU 27 Ca -0.13 0.70 0.11 0.00 -0.03 0.00 0.00 56.01 56.67 1cyu n LEU 27 Cb 0.60 -0.74 0.06 0.00 -2.33 0.00 0.00 43.42 41.01 1cyu n LEU 27 CO 0.02 -0.81 0.10 1.21 -1.33 0.00 0.00 177.39 176.57 1cyu n GLU 28 N -2.13 0.20 -0.62 3.23 0.00 -0.46 -4.31 120.64 116.55 1cyu n GLU 28 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1cyu n GLU 28 Cb 0.06 -1.57 0.00 0.00 0.00 0.00 0.00 31.44 29.93 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 -1.83 0.00 -0.06 5.31 0.28 -0.32 -4.62 120.64 119.41 1cyu n GLU 29 Ca 0.03 -1.08 -0.05 0.00 -0.16 0.00 0.00 57.16 55.90 1cyu n GLU 29 Cb 0.41 -0.41 -0.02 0.00 1.43 0.00 0.00 31.44 32.84 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 0.06 0.34 -0.30 3.44 0.00 0.83 -4.17 118.16 118.35 1cyu n LYS 30 Ca 0.01 0.17 0.35 0.00 0.00 0.00 0.00 58.31 58.84 1cyu n LYS 30 Cb 0.74 -1.13 0.73 0.00 0.00 0.00 0.00 35.03 35.37 1cyu n LYS 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1cyu h THR 31 N -0.65 0.31 -6.13 3.15 1.03 -1.78 -3.42 112.91 105.42 1cyu h THR 31 Ca 0.00 0.00 -0.46 0.00 -0.01 0.00 0.00 66.41 65.94 1cyu h THR 31 Cb 0.61 0.34 -0.28 0.00 -1.07 0.00 0.00 68.15 67.75 1cyu h THR 31 CO 0.00 0.00 -0.66 -0.46 -0.01 0.00 0.00 175.52 174.39 1cyu n ASN 32 N -3.98 -1.38 -4.76 0.00 0.23 -1.26 -4.82 115.26 99.29 1cyu n ASN 32 Ca 0.25 -0.88 -0.33 0.00 -0.53 0.00 0.00 54.58 53.09 1cyu n ASN 32 Cb 1.29 -1.21 0.06 0.00 -2.08 0.00 0.00 39.78 37.84 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 -5.73 2.65 -0.22 -3.83 2.56 -1.26 -4.88 118.70 107.99 1cyu s GLU 33 Ca 0.61 1.50 -0.02 0.00 0.00 0.00 0.00 54.97 57.06 1cyu s GLU 33 Cb -0.35 -1.92 0.09 0.00 2.00 0.00 0.00 34.13 33.94 1cyu s GLU 33 CO 0.75 -1.39 2.27 -2.37 -0.56 0.00 0.00 175.26 173.96 1cyu n THR 34 N -2.44 2.65 -2.30 -1.70 5.66 -1.26 -4.81 114.28 110.09 1cyu n THR 34 Ca 0.11 -1.49 0.00 0.00 -3.05 0.00 0.00 64.05 59.62 1cyu n THR 34 Cb 0.51 -1.48 0.00 0.00 -1.55 0.00 0.00 70.33 67.81 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 0.94 0.00 -3.06 1.09 4.01 -1.26 -5.07 117.16 113.82 1cyu n TYR 35 Ca 0.25 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.69 1cyu n TYR 35 Cb 0.59 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.57 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 0.00 5.39 1.44 2.72 0.00 -1.26 -4.67 105.19 108.82 1cyu n GLY 36 Ca 0.00 -2.75 0.03 0.00 0.00 0.00 0.00 46.02 43.30 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 0.25 0.73 -2.76 1.61 4.01 -1.26 -4.86 118.16 115.88 1cyu n LYS 37 Ca 0.32 -2.58 -0.30 0.00 -0.51 0.00 0.00 58.31 55.25 1cyu n LYS 37 Cb 0.38 -0.67 -0.02 0.00 -0.51 0.00 0.00 35.03 34.21 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 -0.07 5.12 0.00 -0.35 7.99 -1.26 0.46 117.00 128.89 1cyu n LEU 38 Ca 0.11 -5.52 0.00 0.00 -0.01 0.00 0.00 56.01 50.59 1cyu n LEU 38 Cb 0.99 -0.66 0.00 0.00 -0.11 0.00 0.00 43.42 43.64 1cyu n LEU 38 CO -0.01 2.26 0.00 1.21 -1.51 0.00 0.00 177.39 179.34 1cyu n GLU 39 N -0.28 0.00 -1.28 3.23 4.07 -1.07 -4.80 120.64 120.51 1cyu n GLU 39 Ca 0.36 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 57.15 1cyu n GLU 39 Cb 0.41 0.00 0.09 0.00 -0.06 0.00 0.00 31.44 31.89 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 2.23 -0.24 4.31 0.00 -1.26 -0.34 121.76 125.46 1cyu s ALA 40 Ca 0.00 0.22 0.05 0.00 0.00 0.00 0.00 51.96 52.23 1cyu s ALA 40 Cb 0.00 -3.26 -0.18 0.00 0.00 0.00 0.00 23.12 19.68 1cyu s ALA 40 CO 0.00 -1.78 -0.16 1.55 0.00 0.00 0.00 175.76 175.37 1cyu n VAL 41 N -3.53 1.41 0.00 0.00 3.14 -0.11 -3.78 118.33 115.46 1cyu n VAL 41 Ca 0.09 -0.61 0.00 0.00 -2.96 0.00 0.00 64.34 60.86 1cyu n VAL 41 Cb 0.53 -1.19 0.00 0.00 -1.06 0.00 0.00 33.84 32.12 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 -3.12 0.00 -3.60 1.45 0.00 -0.27 -1.15 117.38 110.68 1cyu n GLN 42 Ca -0.42 0.00 -0.15 0.00 -0.00 0.00 0.00 57.00 56.44 1cyu n GLN 42 Cb 1.00 0.00 -0.13 0.00 0.00 0.00 0.00 30.24 31.11 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 -0.39 0.11 3.69 1.13 -0.96 -1.30 117.35 117.64 1cyu s TYR 43 Ca 0.00 0.74 -0.06 0.00 -1.41 0.00 0.00 57.07 56.34 1cyu s TYR 43 Cb 0.00 -0.14 -0.06 0.00 -1.10 0.00 0.00 41.96 40.67 1cyu s TYR 43 CO 0.00 -0.43 0.38 0.21 -2.51 0.00 0.00 175.55 173.20 1cyu s LYS 44 N 2.39 3.66 0.02 -3.49 2.47 -0.44 -2.91 119.74 121.45 1cyu s LYS 44 Ca 0.04 -0.01 0.08 0.00 -1.56 0.00 0.00 55.97 54.52 1cyu s LYS 44 Cb -0.13 -2.90 -0.02 0.00 -1.46 0.00 0.00 37.83 33.31 1cyu s LYS 44 CO -0.10 0.51 -0.25 0.95 0.16 0.00 0.00 175.35 176.62 1cyu s THR 45 N -1.56 1.97 0.06 3.43 -4.23 -0.15 -1.56 115.64 113.60 1cyu s THR 45 Ca 0.38 -1.21 -0.26 0.00 -1.18 0.00 0.00 61.69 59.41 1cyu s THR 45 Cb -0.13 -1.67 0.09 0.00 1.34 0.00 0.00 72.50 72.14 1cyu s THR 45 CO 0.22 0.42 0.77 0.00 -0.54 0.00 0.00 174.62 175.49 1cyu s GLN 46 N -0.94 1.01 0.00 3.99 -2.07 -1.06 -4.76 119.66 115.82 1cyu s GLN 46 Ca 0.10 -0.37 0.00 0.00 -1.82 0.00 0.00 55.36 53.27 1cyu s GLN 46 Cb -0.10 0.46 0.00 0.00 -1.09 0.00 0.00 33.01 32.29 1cyu s GLN 46 CO 0.01 -0.44 0.00 0.28 -1.32 0.00 0.00 175.29 173.82 1cyu n VAL 47 N -0.30 0.00 0.00 3.63 0.31 -1.26 0.43 118.33 121.14 1cyu n VAL 47 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1cyu n VAL 47 Cb 0.63 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 32.58 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 0.00 0.00 0.00 2.52 3.14 -1.26 -3.23 118.33 119.50 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 0.50 0.00 0.00 0.00 -1.22 0.15 105.19 104.63 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 -2.40 2.61 -1.04 -1.26 -4.44 114.28 107.75 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 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 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 6.59 -0.02 8.00 3.84 0.17 -2.98 114.94 130.54 1cyu s ASN 52 Ca 0.00 1.53 -0.00 0.00 0.21 0.00 0.00 52.86 54.60 1cyu s ASN 52 Cb 0.00 -2.49 0.03 0.00 -0.55 0.00 0.00 41.25 38.24 1cyu s ASN 52 CO 0.00 -0.59 0.03 -0.31 -2.79 0.00 0.00 177.10 173.44 1cyu s TYR 53 N -2.64 0.09 -0.58 0.43 2.02 0.24 -2.56 117.35 114.34 1cyu s TYR 53 Ca 0.58 0.11 -0.07 0.00 -0.37 0.00 0.00 57.07 57.33 1cyu s TYR 53 Cb -0.10 -0.29 0.15 0.00 -0.40 0.00 0.00 41.96 41.32 1cyu s TYR 53 CO 0.33 -0.11 0.43 -0.47 -1.57 0.00 0.00 175.55 174.16 1cyu s TYR 54 N 1.16 3.50 -0.87 2.71 6.14 -0.60 0.07 117.35 129.45 1cyu s TYR 54 Ca -0.08 -2.26 -0.15 0.00 0.64 0.00 0.00 57.07 55.22 1cyu s TYR 54 Cb -0.13 -3.41 0.20 0.00 0.42 0.00 0.00 41.96 39.04 1cyu s TYR 54 CO -0.03 -0.94 0.87 0.42 0.64 0.00 0.00 175.55 176.52 1cyu s ILE 55 N 0.62 5.42 -0.32 3.14 -1.09 0.15 -1.32 121.20 127.81 1cyu s ILE 55 Ca 0.12 -2.31 -0.29 0.00 -2.23 0.00 0.00 60.65 55.94 1cyu s ILE 55 Cb -0.21 -4.55 0.02 0.00 -1.58 0.00 0.00 42.46 36.13 1cyu s ILE 55 CO -0.03 -1.15 1.05 -0.75 -1.23 0.00 0.00 174.94 172.82 1cyu s LYS 56 N 0.69 4.06 0.13 2.79 2.20 -0.42 0.31 119.74 129.51 1cyu s LYS 56 Ca 0.22 1.04 -0.09 0.00 -0.36 0.00 0.00 55.97 56.78 1cyu s LYS 56 Cb -0.09 -3.73 -0.06 0.00 -1.51 0.00 0.00 37.83 32.44 1cyu s LYS 56 CO -0.09 -0.88 0.44 0.54 -0.36 0.00 0.00 175.35 175.00 1cyu s VAL 57 N 3.58 5.05 -0.10 4.02 0.11 -1.01 -0.94 120.40 131.12 1cyu s VAL 57 Ca 0.44 0.40 -0.09 0.00 -2.93 0.00 0.00 61.98 59.80 1cyu s VAL 57 Cb -0.12 -3.64 -0.04 0.00 -1.53 0.00 0.00 36.38 31.04 1cyu s VAL 57 CO 0.15 0.15 0.21 -0.60 -3.33 0.00 0.00 175.10 171.68 1cyu s ARG 58 N -2.29 3.64 -0.08 1.54 3.52 0.54 -1.42 118.95 124.40 1cyu s ARG 58 Ca 0.38 0.00 0.12 0.00 -0.13 0.00 0.00 55.73 56.11 1cyu s ARG 58 Cb -0.13 -3.22 0.23 0.00 -1.56 0.00 0.00 34.95 30.27 1cyu s ARG 58 CO 0.20 0.70 1.11 0.00 -0.81 0.00 0.00 175.30 176.51 1cyu n ALA 59 N 2.12 2.40 0.00 6.12 0.00 -1.13 -2.61 120.51 127.41 1cyu n ALA 59 Ca -0.18 -2.15 0.00 0.00 0.00 0.00 0.00 53.44 51.11 1cyu n ALA 59 Cb 0.54 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.64 0.32 0.02 0.00 0.00 1.65 -4.00 105.19 102.54 1cyu n GLY 60 Ca 0.10 -2.09 0.11 0.00 0.00 0.00 0.00 46.02 44.14 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 0.09 -0.04 1.61 2.03 -1.26 -4.51 116.55 114.46 1cyu n ASP 61 Ca 0.00 0.01 -0.05 0.00 0.52 0.00 0.00 54.79 55.27 1cyu n ASP 61 Cb 0.00 1.86 -0.06 0.00 -0.72 0.00 0.00 41.12 42.19 1cyu n ASP 61 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1cyu n ASN 62 N -2.28 2.98 -4.86 1.67 6.94 -1.26 -4.99 115.26 113.46 1cyu n ASN 62 Ca -0.04 -0.01 -0.33 0.00 -0.02 0.00 0.00 54.58 54.18 1cyu n ASN 62 Cb 0.56 0.49 -0.06 0.00 -2.36 0.00 0.00 39.78 38.42 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 -2.21 3.91 -0.26 -3.83 1.02 -1.26 -2.08 119.74 115.03 1cyu s LYS 63 Ca -0.07 0.42 -0.20 0.00 0.02 0.00 0.00 55.97 56.15 1cyu s LYS 63 Cb 0.03 -2.72 0.07 0.00 -0.52 0.00 0.00 37.83 34.69 1cyu s LYS 63 CO 0.32 0.35 0.68 -0.47 -0.92 0.00 0.00 175.35 175.32 1cyu s TYR 64 N -1.71 -0.88 0.11 3.18 5.04 -1.26 -2.84 117.35 118.99 1cyu s TYR 64 Ca 0.45 1.95 0.00 0.00 -2.44 0.00 0.00 57.07 57.03 1cyu s TYR 64 Cb -0.13 0.42 -0.00 0.00 0.35 0.00 0.00 41.96 42.60 1cyu s TYR 64 CO 0.20 -0.43 0.01 1.28 -1.34 0.00 0.00 175.55 175.27 1cyu n LEU 65 N 3.43 0.00 -3.56 6.97 4.32 -0.51 -3.62 117.00 124.02 1cyu n LEU 65 Ca -0.17 -0.72 -0.07 0.00 -0.02 0.00 0.00 56.01 55.03 1cyu n LEU 65 Cb 0.57 0.14 -0.03 0.00 -1.62 0.00 0.00 43.42 42.48 1cyu n LEU 65 CO 0.02 -0.10 0.85 -2.28 -1.22 0.00 0.00 177.39 174.65 1cyu s HIS 66 N -1.59 -0.26 0.22 -1.77 2.46 -1.18 -2.40 115.29 110.77 1cyu s HIS 66 Ca 0.02 0.29 -0.19 0.00 0.47 0.00 0.00 55.06 55.64 1cyu s HIS 66 Cb 0.00 0.50 0.03 0.00 -0.13 0.00 0.00 32.58 32.98 1cyu s HIS 66 CO 0.01 -0.34 0.61 -1.17 -2.47 0.00 0.00 174.74 171.38 1cyu s LEU 67 N -1.84 -0.15 -0.28 8.88 2.96 0.15 0.35 118.68 128.75 1cyu s LEU 67 Ca 0.05 -0.47 -0.03 0.00 -0.22 0.00 0.00 54.13 53.45 1cyu s LEU 67 Cb -0.01 2.41 0.11 0.00 0.50 0.00 0.00 46.19 49.20 1cyu s LEU 67 CO -0.04 -1.15 0.18 -0.75 -1.32 0.00 0.00 176.35 173.27 1cyu s LYS 68 N -3.88 0.22 -0.05 1.98 2.36 -1.10 0.31 119.74 119.59 1cyu s LYS 68 Ca 0.09 -0.34 -0.25 0.00 -2.55 0.00 0.00 55.97 52.92 1cyu s LYS 68 Cb -0.03 -1.05 -0.04 0.00 -1.05 0.00 0.00 37.83 35.67 1cyu s LYS 68 CO -0.00 -0.98 0.76 0.08 1.55 0.00 0.00 175.35 176.76 1cyu s VAL 69 N 2.20 5.00 -0.06 4.02 1.01 0.11 -3.30 120.40 129.37 1cyu s VAL 69 Ca 0.09 1.58 -0.01 0.00 0.00 0.00 0.00 61.98 63.63 1cyu s VAL 69 Cb -0.15 -4.10 0.03 0.00 0.00 0.00 0.00 36.38 32.15 1cyu s VAL 69 CO -0.33 0.24 0.01 0.12 0.00 0.00 0.00 175.10 175.14 1cyu s PHE 70 N 0.80 0.55 -1.26 5.22 5.36 0.33 0.81 117.98 129.80 1cyu s PHE 70 Ca 0.41 -0.09 -0.10 0.00 -0.96 0.00 0.00 56.93 56.19 1cyu s PHE 70 Cb -0.19 -0.73 0.18 0.00 -0.34 0.00 0.00 43.02 41.94 1cyu s PHE 70 CO 0.20 -0.30 1.79 1.63 -1.46 0.00 0.00 175.22 177.09 1cyu n LYS 71 N 5.12 3.64 -1.35 10.12 4.76 -1.16 -0.01 118.16 139.27 1cyu n LYS 71 Ca -0.07 -3.63 -0.59 0.00 -2.87 0.00 0.00 58.31 51.15 1cyu n LYS 71 Cb 0.50 -2.92 -0.11 0.00 -1.84 0.00 0.00 35.03 30.67 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 3.96 1.13 -2.88 4.39 7.64 -1.26 -4.27 113.62 122.33 1cyu n SER 72 Ca 0.39 0.68 -0.12 0.00 1.01 0.00 0.00 58.87 60.82 1cyu n SER 72 Cb 0.37 -0.98 0.04 0.00 -1.01 0.00 0.00 64.21 62.63 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 7.62 -1.42 -1.97 -3.43 0.00 -0.56 -3.89 117.00 113.36 1cyu n LEU 73 Ca 0.49 -4.07 -0.12 0.00 0.00 0.00 0.00 56.01 52.32 1cyu n LEU 73 Cb 0.02 0.85 -0.13 0.00 0.00 0.00 0.00 43.42 44.16 1cyu n LEU 73 CO 0.85 2.13 1.51 -0.81 0.00 0.00 0.00 177.39 181.07 1cyu n PRO 74 N 0.56 1.88 0.00 1.96 -0.04 0.41 -3.41 135.00 136.37 1cyu n PRO 74 Ca 0.12 -0.99 0.00 0.00 -0.04 0.00 0.00 63.50 62.59 1cyu n PRO 74 Cb 0.67 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 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 2.14 3.07 0.10 0.55 0.00 -1.26 -4.73 105.19 105.05 1cyu n GLY 75 Ca 0.37 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.56 0.68 -2.96 1.61 -0.06 -1.26 -5.05 117.38 108.78 1cyu n GLN 76 Ca 0.00 0.02 -0.10 0.00 -2.00 0.00 0.00 57.00 54.92 1cyu n GLN 76 Cb 0.00 -1.55 0.01 0.00 -4.06 0.00 0.00 30.24 24.64 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 -2.78 -7.44 -3.40 1.69 2.85 -1.26 -4.99 115.26 99.92 1cyu n ASN 77 Ca -0.31 0.67 -0.27 0.00 -0.11 0.00 0.00 54.58 54.56 1cyu n ASN 77 Cb 1.14 -4.38 -0.10 0.00 1.24 0.00 0.00 39.78 37.68 1cyu n ASN 77 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1cyu s GLU 78 N -2.14 0.90 0.28 1.20 2.02 -1.25 -5.04 118.70 114.67 1cyu s GLU 78 Ca 0.17 -2.07 0.00 0.00 0.02 0.00 0.00 54.97 53.10 1cyu s GLU 78 Cb -0.04 -1.43 0.00 0.00 0.10 0.00 0.00 34.13 32.76 1cyu s GLU 78 CO 0.71 -1.37 0.00 -3.47 0.02 0.00 0.00 175.26 171.15 1cyu n ASP 79 N 2.92 -4.16 -1.38 -0.19 -0.08 -1.26 -4.99 116.55 107.41 1cyu n ASP 79 Ca 0.28 0.87 0.00 0.00 -1.51 0.00 0.00 54.79 54.44 1cyu n ASP 79 Cb 0.47 -1.92 0.00 0.00 2.34 0.00 0.00 41.12 42.01 1cyu n ASP 79 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1cyu n LEU 80 N -1.91 0.00 0.00 -2.67 -0.00 -1.26 -4.10 117.00 107.06 1cyu n LEU 80 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1cyu n LEU 80 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.63 1cyu n LEU 80 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 177.39 177.91 1cyu n VAL 81 N 0.00 0.00 -3.32 1.47 0.31 0.98 -4.40 118.33 113.37 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 -0.09 0.00 -0.91 0.00 0.00 33.84 32.84 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 -0.45 0.00 7.52 4.32 -1.26 -0.51 117.00 126.62 1cyu n LEU 82 Ca 0.00 -4.39 0.00 0.00 -0.02 0.00 0.00 56.01 51.60 1cyu n LEU 82 Cb 0.00 0.58 0.01 0.00 -1.62 0.00 0.00 43.42 42.39 1cyu n LEU 82 CO 0.00 1.91 0.41 0.41 -1.22 0.00 0.00 177.39 178.90 1cyu n THR 83 N 2.50 1.19 -4.39 -5.08 -1.04 -1.23 -4.53 114.28 101.69 1cyu n THR 83 Ca 0.27 0.30 -0.30 0.00 -2.04 0.00 0.00 64.05 62.28 1cyu n THR 83 Cb 0.50 -1.29 -0.12 0.00 -1.82 0.00 0.00 70.33 67.60 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 -2.60 1.66 0.00 3.41 0.00 -1.21 -4.78 107.32 103.80 1cyu s GLY 84 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.41 1cyu s GLY 84 CO 0.01 -1.27 0.00 1.58 0.00 0.00 0.00 173.10 173.41 1cyu n TYR 85 N 0.99 0.00 -3.58 1.90 0.18 -1.09 -2.70 117.16 112.86 1cyu n TYR 85 Ca -0.16 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.56 1cyu n TYR 85 Cb 0.53 0.00 -0.03 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 0.42 0.00 -3.48 -1.52 0.15 -4.85 119.66 110.39 1cyu s GLN 86 Ca 0.00 -0.09 0.00 0.00 -1.95 0.00 0.00 55.36 53.32 1cyu s GLN 86 Cb 0.00 0.20 0.00 0.00 -0.22 0.00 0.00 33.01 32.99 1cyu s GLN 86 CO 0.00 -0.17 0.00 1.55 -0.25 0.00 0.00 175.29 176.42 1cyu n VAL 87 N 0.10 0.00 -1.31 1.09 3.14 -1.26 -3.10 118.33 116.98 1cyu n VAL 87 Ca -0.03 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.35 1cyu n VAL 87 Cb 0.59 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.37 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 0.00 0.00 -0.66 6.55 5.75 -1.25 -3.41 116.55 123.53 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 -2.86 0.11 3.00 -1.26 -4.16 118.16 112.99 1cyu n LYS 89 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 1cyu n LYS 89 Cb 0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 35.03 34.10 1cyu n LYS 89 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1cyu n ASN 90 N -0.66 -1.13 -0.07 3.14 0.23 -0.88 -4.71 115.26 111.17 1cyu n ASN 90 Ca 0.00 0.07 -0.08 0.00 -0.53 0.00 0.00 54.58 54.04 1cyu n ASN 90 Cb 0.25 -1.08 -0.03 0.00 -2.08 0.00 0.00 39.78 36.84 1cyu n ASN 90 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1cyu n LYS 91 N -2.71 0.45 -0.04 -3.83 5.02 -1.26 -4.42 118.16 111.37 1cyu n LYS 91 Ca 0.03 0.18 0.01 0.00 -2.02 0.00 0.00 58.31 56.51 1cyu n LYS 91 Cb 0.46 -1.29 0.03 0.00 -0.02 0.00 0.00 35.03 34.20 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 -4.32 0.57 -4.73 4.39 2.03 -1.24 -4.88 116.55 108.37 1cyu n ASP 92 Ca -0.12 -2.02 -0.36 0.00 0.52 0.00 0.00 54.79 52.81 1cyu n ASP 92 Cb 0.45 -0.15 0.08 0.00 -0.72 0.00 0.00 41.12 40.77 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 -0.78 4.48 -0.30 1.67 -1.08 -1.26 -4.68 116.67 114.72 1cyu s ASP 93 Ca 0.04 2.55 -0.13 0.00 -0.52 0.00 0.00 52.55 54.49 1cyu s ASP 93 Cb 0.02 -2.61 0.19 0.00 -1.46 0.00 0.00 42.92 39.07 1cyu s ASP 93 CO 0.02 -2.08 1.16 -1.61 0.52 0.00 0.00 175.17 173.18 1cyu s GLU 94 N -3.52 0.01 -0.50 4.34 2.02 -1.26 -5.09 118.70 114.70 1cyu s GLU 94 Ca 0.80 -0.00 -0.27 0.00 0.02 0.00 0.00 54.97 55.52 1cyu s GLU 94 Cb -0.35 0.00 -0.05 0.00 0.10 0.00 0.00 34.13 33.83 1cyu s GLU 94 CO 0.41 -0.01 2.17 -0.51 0.02 0.00 0.00 175.26 177.33 1cyu s LEU 95 N 1.85 3.38 0.07 1.80 1.02 -1.26 -4.91 118.68 120.63 1cyu s LEU 95 Ca 0.15 0.92 -0.04 0.00 0.02 0.00 0.00 54.13 55.18 1cyu s LEU 95 Cb 0.07 -2.67 -0.02 0.00 0.02 0.00 0.00 46.19 43.58 1cyu s LEU 95 CO -0.16 -2.55 0.06 0.42 0.02 0.00 0.00 176.35 174.14 1cyu s THR 96 N 10.46 0.19 0.00 5.49 -4.23 -1.26 -5.11 115.64 121.18 1cyu s THR 96 Ca 0.86 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.84 1cyu s THR 96 Cb -0.17 -1.43 0.00 0.00 1.34 0.00 0.00 72.50 72.23 1cyu s THR 96 CO 0.26 -0.85 0.00 0.61 -0.54 0.00 0.00 174.62 174.10 1cyu n GLY 97 N 0.05 -0.44 0.00 3.99 0.00 -1.26 -4.79 105.19 102.74 1cyu n GLY 97 Ca -0.15 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1cyu n GLY 97 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01