#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cyu n ILE 2 N 0.00 -1.01 -2.64 2.02 0.13 -1.26 -5.11 119.36 111.49 1cyu n ILE 2 Ca 0.00 -3.59 -0.42 0.00 -1.10 0.00 0.00 62.75 57.64 1cyu n ILE 2 Cb 0.00 -1.73 -0.03 0.00 -0.84 0.00 0.00 39.64 37.04 1cyu n ILE 2 CO 0.00 0.00 0.00 -2.16 2.80 0.00 0.00 176.55 177.19 1cyu s PRO 3 N -0.25 4.55 -1.06 9.51 0.04 -1.26 -4.53 135.00 142.00 1cyu s PRO 3 Ca 0.33 1.51 -0.05 0.00 0.04 0.00 0.00 61.00 62.83 1cyu s PRO 3 Cb 0.06 -3.42 0.12 0.00 0.04 0.00 0.00 34.50 31.31 1cyu s PRO 3 CO -0.18 -0.06 2.44 0.41 0.04 0.00 0.00 177.00 179.65 1cyu n GLY 4 N 2.85 5.07 3.41 0.56 0.00 -1.26 -4.65 105.19 111.17 1cyu n GLY 4 Ca 0.06 -2.06 -0.25 0.00 0.00 0.00 0.00 46.02 43.77 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 1.32 -0.51 0.00 -0.02 0.00 -1.26 -4.89 105.19 99.82 1cyu n GLY 5 Ca 0.58 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.75 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 -4.22 0.00 0.00 0.99 7.94 -1.26 -4.20 117.00 116.25 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 -0.22 0.00 -1.20 -1.11 0.00 0.00 177.39 175.44 1cyu n SER 7 N 0.00 0.00 -4.45 1.96 7.64 -1.26 -4.16 113.62 113.34 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 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 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 3.86 -0.28 1.43 2.02 -1.26 -4.91 118.70 119.56 1cyu s GLU 8 Ca 0.00 -2.22 -0.23 0.00 0.02 0.00 0.00 54.97 52.55 1cyu s GLU 8 Cb 0.00 -4.98 0.12 0.00 0.10 0.00 0.00 34.13 29.37 1cyu s GLU 8 CO 0.00 -1.76 0.99 0.00 0.02 0.00 0.00 175.26 174.52 1cyu s ALA 9 N 2.02 -2.03 0.26 5.21 0.00 -1.26 -1.23 121.76 124.74 1cyu s ALA 9 Ca 0.38 1.98 0.04 0.00 0.00 0.00 0.00 51.96 54.36 1cyu s ALA 9 Cb -0.04 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 1cyu s ALA 9 CO -0.05 -0.27 0.40 0.15 0.00 0.00 0.00 175.76 175.99 1cyu s LYS 10 N 0.55 3.44 -0.51 0.00 1.02 -1.14 -4.87 119.74 118.23 1cyu s LYS 10 Ca -0.00 -0.69 -0.28 0.00 0.02 0.00 0.00 55.97 55.01 1cyu s LYS 10 Cb -0.05 -2.84 0.02 0.00 -0.52 0.00 0.00 37.83 34.44 1cyu s LYS 10 CO -0.09 0.36 1.31 -1.25 -0.92 0.00 0.00 175.35 174.77 1cyu s PRO 11 N -4.05 3.51 0.00 -1.68 0.04 -1.26 -2.40 135.00 129.16 1cyu s PRO 11 Ca 0.36 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.96 1cyu s PRO 11 Cb -0.09 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.42 1cyu s PRO 11 CO 0.30 -1.67 0.00 0.00 0.04 0.00 0.00 177.00 175.68 1cyu n ALA 12 N 8.77 -1.34 -1.08 8.56 0.00 -0.12 -4.82 120.51 130.48 1cyu n ALA 12 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.28 1cyu n ALA 12 Cb 0.49 -0.23 0.18 0.00 0.00 0.00 0.00 19.45 19.88 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 2.17 -1.20 0.00 -4.23 -1.26 -4.74 115.64 106.04 1cyu s THR 13 Ca 0.00 0.05 0.21 0.00 -1.18 0.00 0.00 61.69 60.77 1cyu s THR 13 Cb 0.00 -2.47 0.26 0.00 1.34 0.00 0.00 72.50 71.63 1cyu s THR 13 CO 0.00 -0.07 1.67 -0.81 -0.54 0.00 0.00 174.62 174.86 1cyu n PRO 14 N -4.24 0.14 -0.09 3.99 -0.04 -1.26 -1.46 135.00 132.04 1cyu n PRO 14 Ca 0.05 0.12 -0.10 0.00 -0.04 0.00 0.00 63.50 63.53 1cyu n PRO 14 Cb 0.56 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.40 0.52 -0.15 0.54 2.13 -1.26 -3.74 120.64 117.27 1cyu n GLU 15 Ca 0.07 0.30 -0.03 0.00 0.66 0.00 0.00 57.16 58.16 1cyu n GLU 15 Cb 0.21 -1.50 0.06 0.00 0.27 0.00 0.00 31.44 30.47 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 -1.00 0.82 0.00 6.31 1.08 -1.91 0.15 117.51 122.96 1cyu h ILE 16 Ca -0.06 -0.11 -0.02 0.00 -0.39 0.00 0.00 64.86 64.28 1cyu h ILE 16 Cb 0.94 0.47 -0.00 0.00 -3.07 0.00 0.00 36.82 35.16 1cyu h ILE 16 CO -0.04 0.06 -0.09 0.06 -0.69 0.00 0.00 178.15 177.45 1cyu h GLN 17 N 0.32 0.00 0.00 2.37 3.07 -1.49 0.44 115.11 119.82 1cyu h GLN 17 Ca 0.23 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.88 1cyu h GLN 17 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.80 1cyu h GLN 17 CO -0.25 0.09 -0.42 1.49 0.09 0.00 0.00 178.83 179.84 1cyu h GLU 18 N 0.00 0.00 -0.18 0.06 4.81 -0.81 -2.22 114.58 116.24 1cyu h GLU 18 Ca -0.00 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1cyu h GLU 18 Cb 0.26 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1cyu h GLU 18 CO 0.01 0.42 -0.35 0.97 -0.73 0.00 0.00 179.01 179.32 1cyu h ILE 19 N 0.00 1.29 0.00 2.32 -0.00 -0.30 -1.07 117.51 119.76 1cyu h ILE 19 Ca -0.00 -1.43 0.00 0.00 -0.00 0.00 0.00 64.86 63.42 1cyu h ILE 19 Cb 0.87 1.54 0.00 0.00 -0.00 0.00 0.00 36.82 39.23 1cyu h ILE 19 CO 0.05 0.44 0.00 0.52 -0.00 0.00 0.00 178.15 179.17 1cyu n VAL 20 N -4.06 0.41 0.14 2.19 0.31 -0.84 -1.23 118.33 115.25 1cyu n VAL 20 Ca -0.01 0.10 0.11 0.00 -0.01 0.00 0.00 64.34 64.53 1cyu n VAL 20 Cb 0.46 -0.81 -0.13 0.00 -0.91 0.00 0.00 33.84 32.45 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 -1.25 0.24 -0.04 4.52 -0.08 -0.41 -3.27 116.55 116.25 1cyu n ASP 21 Ca 0.09 -0.08 -0.07 0.00 -1.51 0.00 0.00 54.79 53.23 1cyu n ASP 21 Cb 0.13 1.64 -0.03 0.00 2.34 0.00 0.00 41.12 45.21 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 -2.21 0.16 0.13 -0.67 0.00 -0.98 -3.97 118.16 110.62 1cyu n LYS 22 Ca -0.02 0.06 0.07 0.00 -0.00 0.00 0.00 58.31 58.42 1cyu n LYS 22 Cb 0.53 -0.88 0.04 0.00 -0.00 0.00 0.00 35.03 34.72 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 -0.18 0.31 -1.56 0.58 2.07 -1.44 -3.34 116.25 112.69 1cyu h VAL 23 Ca -0.18 -1.49 -0.50 0.00 0.82 0.00 0.00 66.70 65.36 1cyu h VAL 23 Cb 1.19 1.98 -0.41 0.00 -1.52 0.00 0.00 31.29 32.53 1cyu h VAL 23 CO -0.08 0.18 -0.95 0.29 0.02 0.00 0.00 177.57 177.02 1cyu n LYS 24 N -2.98 2.24 0.00 1.57 4.01 -1.18 -4.86 118.16 116.96 1cyu n LYS 24 Ca -0.00 -3.97 0.09 0.00 -0.51 0.00 0.00 58.31 53.93 1cyu n LYS 24 Cb 0.64 -1.83 0.56 0.00 -0.51 0.00 0.00 35.03 33.90 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 -0.18 0.63 -0.06 1.97 -0.04 -1.20 -1.25 135.00 134.87 1cyu n PRO 25 Ca 0.25 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.61 1cyu n PRO 25 Cb 0.67 -1.47 -0.05 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 -0.97 0.26 0.33 0.54 6.02 -1.26 -4.19 117.38 118.11 1cyu n GLN 26 Ca 0.14 0.09 0.21 0.00 -0.01 0.00 0.00 57.00 57.43 1cyu n GLN 26 Cb 0.07 -1.06 1.12 0.00 1.02 0.00 0.00 30.24 31.38 1cyu n GLN 26 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1cyu h LEU 27 N -0.23 0.00 -0.68 1.08 -0.00 -1.83 0.34 115.31 114.00 1cyu h LEU 27 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.61 1cyu h LEU 27 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.98 1cyu h LEU 27 CO -0.12 0.01 -0.33 1.21 -0.00 0.00 0.00 178.44 179.21 1cyu n GLU 28 N -3.20 0.98 -1.19 1.13 0.00 -0.38 -4.23 120.64 113.74 1cyu n GLU 28 Ca -0.03 -0.68 0.01 0.00 0.00 0.00 0.00 57.16 56.47 1cyu n GLU 28 Cb 0.10 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 30.06 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 -0.42 0.00 -0.01 5.31 0.28 -0.37 -4.73 120.64 120.70 1cyu n GLU 29 Ca 0.11 -1.57 -0.02 0.00 -0.16 0.00 0.00 57.16 55.52 1cyu n GLU 29 Cb 0.39 -0.02 -0.01 0.00 1.43 0.00 0.00 31.44 33.24 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 0.31 0.10 -0.41 3.44 4.81 -0.03 -4.49 118.16 121.89 1cyu n LYS 30 Ca -0.01 0.04 0.39 0.00 -0.87 0.00 0.00 58.31 57.87 1cyu n LYS 30 Cb 0.97 -0.50 0.76 0.00 0.02 0.00 0.00 35.03 36.28 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 -0.18 0.30 -5.77 3.15 1.03 -1.76 -3.42 112.91 106.25 1cyu h THR 31 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 66.41 66.01 1cyu h THR 31 Cb 0.18 0.30 -0.22 0.00 -1.07 0.00 0.00 68.15 67.34 1cyu h THR 31 CO 0.00 0.00 -0.57 -0.46 -0.01 0.00 0.00 175.52 174.48 1cyu n ASN 32 N -4.09 -0.77 -4.62 0.00 6.94 -1.26 -4.82 115.26 106.65 1cyu n ASN 32 Ca 0.30 -0.78 -0.30 0.00 -0.02 0.00 0.00 54.58 53.78 1cyu n ASN 32 Cb 1.44 -0.99 0.19 0.00 -2.36 0.00 0.00 39.78 38.05 1cyu n ASN 32 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 1cyu s GLU 33 N -5.07 0.41 -0.31 -3.83 2.56 -1.26 -4.87 118.70 106.33 1cyu s GLU 33 Ca 0.41 1.07 0.00 0.00 0.00 0.00 0.00 54.97 56.46 1cyu s GLU 33 Cb -0.24 -1.69 0.27 0.00 2.00 0.00 0.00 34.13 34.47 1cyu s GLU 33 CO 0.64 -2.90 1.82 -2.37 -0.56 0.00 0.00 175.26 171.89 1cyu n THR 34 N -4.37 2.59 -2.26 -1.70 5.66 -1.26 -4.84 114.28 108.11 1cyu n THR 34 Ca 0.07 -1.48 0.00 0.00 -3.05 0.00 0.00 64.05 59.59 1cyu n THR 34 Cb 0.54 -1.11 0.00 0.00 -1.55 0.00 0.00 70.33 68.21 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 0.03 0.00 -3.34 1.09 4.01 -1.26 -5.07 117.16 112.61 1cyu n TYR 35 Ca 0.32 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.74 1cyu n TYR 35 Cb 0.78 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.75 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 4.86 1.11 2.72 0.00 -1.26 -4.69 105.19 107.92 1cyu n GLY 36 Ca 0.00 -2.74 0.05 0.00 0.00 0.00 0.00 46.02 43.33 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 1.08 0.52 -2.90 1.61 4.01 -1.26 -4.86 118.16 116.36 1cyu n LYS 37 Ca 0.28 -2.33 -0.32 0.00 -0.51 0.00 0.00 58.31 55.42 1cyu n LYS 37 Cb 0.38 -0.57 -0.02 0.00 -0.51 0.00 0.00 35.03 34.31 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 -0.09 5.47 0.00 -0.35 7.99 -1.26 0.43 117.00 129.18 1cyu n LEU 38 Ca 0.10 -5.54 0.00 0.00 -0.01 0.00 0.00 56.01 50.56 1cyu n LEU 38 Cb 0.96 -0.81 0.00 0.00 -0.11 0.00 0.00 43.42 43.46 1cyu n LEU 38 CO -0.04 2.19 0.00 -0.62 -1.51 0.00 0.00 177.39 177.42 1cyu n GLU 39 N 0.01 0.00 -2.05 3.23 1.02 -1.10 -4.77 120.64 116.98 1cyu n GLU 39 Ca 0.36 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 57.18 1cyu n GLU 39 Cb 0.35 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.77 1cyu n GLU 39 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1cyu s ALA 40 N -1.00 2.84 -0.23 0.62 0.00 -1.26 -0.34 121.76 122.39 1cyu s ALA 40 Ca 0.00 0.26 0.11 0.00 0.00 0.00 0.00 51.96 52.33 1cyu s ALA 40 Cb 0.00 -3.19 -0.21 0.00 0.00 0.00 0.00 23.12 19.72 1cyu s ALA 40 CO 0.00 -0.72 -0.07 0.28 0.00 0.00 0.00 175.76 175.25 1cyu n VAL 41 N -2.13 1.42 0.00 0.00 0.31 0.06 -4.05 118.33 113.95 1cyu n VAL 41 Ca 0.08 -0.72 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 1cyu n VAL 41 Cb 0.53 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.56 1cyu n VAL 41 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1cyu n GLN 42 N -2.98 0.00 -3.62 5.55 0.00 -0.09 -0.95 117.38 115.30 1cyu n GLN 42 Ca -0.39 0.00 -0.17 0.00 -0.00 0.00 0.00 57.00 56.44 1cyu n GLN 42 Cb 1.08 0.00 -0.14 0.00 0.00 0.00 0.00 30.24 31.17 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 -0.24 0.35 3.69 1.13 -1.01 -0.26 117.35 119.02 1cyu s TYR 43 Ca 0.00 0.54 -0.01 0.00 -1.41 0.00 0.00 57.07 56.19 1cyu s TYR 43 Cb 0.00 -0.26 -0.03 0.00 -1.10 0.00 0.00 41.96 40.56 1cyu s TYR 43 CO 0.00 -0.39 0.57 -1.59 -2.51 0.00 0.00 175.55 171.64 1cyu s LYS 44 N 2.32 3.50 0.08 -3.49 0.00 -0.38 -2.87 119.74 118.90 1cyu s LYS 44 Ca 0.04 -0.25 0.10 0.00 0.00 0.00 0.00 55.97 55.86 1cyu s LYS 44 Cb -0.13 -2.63 -0.03 0.00 0.00 0.00 0.00 37.83 35.03 1cyu s LYS 44 CO -0.08 0.12 -0.26 0.95 0.00 0.00 0.00 175.35 176.08 1cyu s THR 45 N -2.34 2.14 -0.30 3.79 -4.23 -0.37 -1.46 115.64 112.87 1cyu s THR 45 Ca 0.41 -1.53 -0.12 0.00 -1.18 0.00 0.00 61.69 59.27 1cyu s THR 45 Cb -0.10 -1.86 0.15 0.00 1.34 0.00 0.00 72.50 72.03 1cyu s THR 45 CO 0.36 0.23 0.80 0.00 -0.54 0.00 0.00 174.62 175.47 1cyu s GLN 46 N -1.59 0.45 0.00 3.99 -2.07 -0.96 -4.85 119.66 114.63 1cyu s GLN 46 Ca 0.12 1.13 0.00 0.00 -1.82 0.00 0.00 55.36 54.79 1cyu s GLN 46 Cb -0.10 0.68 0.00 0.00 -1.09 0.00 0.00 33.01 32.50 1cyu s GLN 46 CO 0.04 -0.17 0.00 1.33 -1.32 0.00 0.00 175.29 175.17 1cyu n VAL 47 N 5.25 0.00 0.00 3.63 0.24 -1.26 0.65 118.33 126.84 1cyu n VAL 47 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 1cyu n VAL 47 Cb 0.51 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 1cyu n VAL 47 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 1cyu n VAL 48 N -0.67 0.00 0.00 3.34 3.14 -1.26 -3.32 118.33 119.56 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 -4.93 120.51 115.87 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 0.43 0.00 0.00 0.00 -1.18 0.25 105.19 104.69 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 -1.36 2.61 -1.04 -1.26 -4.45 114.28 108.79 1cyu n THR 51 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 1cyu n THR 51 Cb 0.00 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 68.60 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 4.58 -0.12 8.00 3.04 0.21 -3.04 114.94 127.61 1cyu s ASN 52 Ca 0.00 1.68 -0.06 0.00 0.04 0.00 0.00 52.86 54.52 1cyu s ASN 52 Cb 0.00 -2.42 0.05 0.00 -1.54 0.00 0.00 41.25 37.34 1cyu s ASN 52 CO 0.00 -1.97 0.28 -0.31 -3.04 0.00 0.00 177.10 172.06 1cyu s TYR 53 N -2.97 -0.38 -0.71 0.43 2.02 0.54 -2.27 117.35 114.01 1cyu s TYR 53 Ca 0.61 0.88 -0.09 0.00 -0.37 0.00 0.00 57.07 58.10 1cyu s TYR 53 Cb -0.16 0.09 0.19 0.00 -0.40 0.00 0.00 41.96 41.67 1cyu s TYR 53 CO 0.56 -0.25 0.59 -0.47 -1.57 0.00 0.00 175.55 174.40 1cyu s TYR 54 N 1.29 3.57 -0.80 2.71 6.14 -0.53 0.17 117.35 129.89 1cyu s TYR 54 Ca -0.09 -2.32 -0.20 0.00 0.64 0.00 0.00 57.07 55.09 1cyu s TYR 54 Cb -0.10 -3.51 0.10 0.00 0.42 0.00 0.00 41.96 38.87 1cyu s TYR 54 CO -0.09 -0.92 1.05 0.42 0.64 0.00 0.00 175.55 176.65 1cyu s ILE 55 N 0.12 4.54 -0.41 3.14 1.09 0.33 -1.26 121.20 128.76 1cyu s ILE 55 Ca 0.17 -1.02 -0.29 0.00 -1.10 0.00 0.00 60.65 58.41 1cyu s ILE 55 Cb -0.16 -4.74 0.01 0.00 -1.06 0.00 0.00 42.46 36.52 1cyu s ILE 55 CO -0.06 -1.48 1.31 -0.75 -0.10 0.00 0.00 174.94 173.86 1cyu s LYS 56 N 3.33 3.69 0.03 2.79 2.20 0.64 0.17 119.74 132.59 1cyu s LYS 56 Ca 0.28 0.90 -0.13 0.00 -0.36 0.00 0.00 55.97 56.66 1cyu s LYS 56 Cb -0.11 -3.96 -0.06 0.00 -1.51 0.00 0.00 37.83 32.20 1cyu s LYS 56 CO -0.01 -1.41 0.40 0.54 -0.36 0.00 0.00 175.35 174.51 1cyu s VAL 57 N 4.92 5.07 0.07 4.02 0.11 -0.97 -0.76 120.40 132.85 1cyu s VAL 57 Ca 0.56 0.67 -0.15 0.00 -2.93 0.00 0.00 61.98 60.13 1cyu s VAL 57 Cb -0.12 -3.67 -0.06 0.00 -1.53 0.00 0.00 36.38 30.99 1cyu s VAL 57 CO 0.30 0.46 0.48 -0.60 -3.33 0.00 0.00 175.10 172.41 1cyu s ARG 58 N -1.43 3.99 -0.07 1.54 3.52 0.54 -0.82 118.95 126.21 1cyu s ARG 58 Ca 0.27 0.49 0.14 0.00 -0.13 0.00 0.00 55.73 56.49 1cyu s ARG 58 Cb -0.15 -3.12 0.27 0.00 -1.56 0.00 0.00 34.95 30.38 1cyu s ARG 58 CO 0.15 0.61 1.13 0.00 -0.81 0.00 0.00 175.30 176.37 1cyu n ALA 59 N 1.42 2.50 0.00 6.12 0.00 -1.11 -2.72 120.51 126.72 1cyu n ALA 59 Ca -0.10 -2.22 0.00 0.00 0.00 0.00 0.00 53.44 51.12 1cyu n ALA 59 Cb 0.52 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.45 0.21 0.10 0.00 0.00 1.45 -3.85 105.19 102.65 1cyu n GLY 60 Ca 0.09 -1.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.01 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 0.31 -0.09 1.61 -0.08 -1.26 -4.54 116.55 112.50 1cyu n ASP 61 Ca 0.00 -0.02 -0.08 0.00 -1.51 0.00 0.00 54.79 53.18 1cyu n ASP 61 Cb 0.00 0.78 -0.15 0.00 2.34 0.00 0.00 41.12 44.09 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 -2.83 0.38 -4.93 1.67 0.23 -1.26 -4.95 115.26 103.57 1cyu n ASN 62 Ca -0.35 0.00 -0.29 0.00 -0.53 0.00 0.00 54.58 53.41 1cyu n ASN 62 Cb 1.13 1.03 -0.04 0.00 -2.08 0.00 0.00 39.78 39.83 1cyu n ASN 62 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1cyu s LYS 63 N -2.52 3.47 -0.29 -3.83 3.01 -1.25 -0.87 119.74 117.46 1cyu s LYS 63 Ca -0.09 -0.44 -0.16 0.00 -1.01 0.00 0.00 55.97 54.26 1cyu s LYS 63 Cb 0.06 -2.97 0.13 0.00 -1.01 0.00 0.00 37.83 34.05 1cyu s LYS 63 CO 0.77 0.54 0.93 -0.47 0.51 0.00 0.00 175.35 177.63 1cyu s TYR 64 N -1.65 -0.65 0.19 3.18 6.14 -1.26 -2.76 117.35 120.54 1cyu s TYR 64 Ca 0.36 1.30 0.01 0.00 0.64 0.00 0.00 57.07 59.38 1cyu s TYR 64 Cb -0.12 0.39 0.01 0.00 0.42 0.00 0.00 41.96 42.66 1cyu s TYR 64 CO 0.28 -0.32 0.10 1.28 0.64 0.00 0.00 175.55 177.53 1cyu n LEU 65 N 3.73 0.00 -3.52 6.97 4.32 0.00 -4.07 117.00 124.43 1cyu n LEU 65 Ca -0.19 -1.03 -0.15 0.00 -0.02 0.00 0.00 56.01 54.62 1cyu n LEU 65 Cb 0.58 0.02 -0.05 0.00 -1.62 0.00 0.00 43.42 42.35 1cyu n LEU 65 CO 0.02 -0.31 0.52 -2.28 -1.22 0.00 0.00 177.39 174.11 1cyu s HIS 66 N -1.13 -0.57 0.17 -1.77 2.46 -1.19 -2.30 115.29 110.96 1cyu s HIS 66 Ca 0.08 0.87 -0.18 0.00 0.47 0.00 0.00 55.06 56.30 1cyu s HIS 66 Cb -0.01 0.45 0.04 0.00 -0.13 0.00 0.00 32.58 32.92 1cyu s HIS 66 CO 0.05 -0.58 0.51 -1.17 -2.47 0.00 0.00 174.74 171.07 1cyu s LEU 67 N -1.45 0.06 -0.27 8.88 2.96 0.13 0.14 118.68 129.12 1cyu s LEU 67 Ca -0.07 -0.37 -0.02 0.00 -0.22 0.00 0.00 54.13 53.45 1cyu s LEU 67 Cb -0.00 2.14 0.09 0.00 0.50 0.00 0.00 46.19 48.92 1cyu s LEU 67 CO 0.04 -1.00 0.10 -0.75 -1.32 0.00 0.00 176.35 173.42 1cyu s LYS 68 N -3.84 0.49 0.04 1.98 2.36 -1.17 0.12 119.74 119.72 1cyu s LYS 68 Ca 0.07 -0.71 -0.27 0.00 -2.55 0.00 0.00 55.97 52.50 1cyu s LYS 68 Cb -0.00 -1.71 -0.05 0.00 -1.05 0.00 0.00 37.83 35.01 1cyu s LYS 68 CO -0.06 -0.92 0.84 0.08 1.55 0.00 0.00 175.35 176.84 1cyu s VAL 69 N 1.86 4.73 -0.11 4.02 1.01 0.44 -3.26 120.40 129.08 1cyu s VAL 69 Ca 0.07 1.79 -0.02 0.00 0.00 0.00 0.00 61.98 63.82 1cyu s VAL 69 Cb -0.17 -4.19 0.04 0.00 0.00 0.00 0.00 36.38 32.06 1cyu s VAL 69 CO -0.25 0.31 0.02 0.12 0.00 0.00 0.00 175.10 175.30 1cyu s PHE 70 N 0.23 0.67 -1.26 5.22 5.36 0.38 0.20 117.98 128.78 1cyu s PHE 70 Ca 0.43 -0.33 -0.11 0.00 -0.96 0.00 0.00 56.93 55.95 1cyu s PHE 70 Cb -0.21 -0.83 0.16 0.00 -0.34 0.00 0.00 43.02 41.81 1cyu s PHE 70 CO 0.25 -0.41 1.74 1.63 -1.46 0.00 0.00 175.22 176.97 1cyu n LYS 71 N 5.15 3.52 -1.48 10.12 4.76 -1.17 0.23 118.16 139.28 1cyu n LYS 71 Ca -0.07 -3.61 -0.63 0.00 -2.87 0.00 0.00 58.31 51.13 1cyu n LYS 71 Cb 0.49 -2.98 -0.11 0.00 -1.84 0.00 0.00 35.03 30.59 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 4.55 1.06 -2.73 4.39 7.64 -1.26 -4.23 113.62 123.05 1cyu n SER 72 Ca 0.39 0.90 -0.08 0.00 1.01 0.00 0.00 58.87 61.09 1cyu n SER 72 Cb 0.39 -0.92 0.08 0.00 -1.01 0.00 0.00 64.21 62.75 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 6.05 -2.41 -1.96 -3.43 0.00 -0.92 -3.77 117.00 110.57 1cyu n LEU 73 Ca 0.43 -3.45 -0.11 0.00 0.00 0.00 0.00 56.01 52.88 1cyu n LEU 73 Cb -0.03 0.91 -0.13 0.00 0.00 0.00 0.00 43.42 44.16 1cyu n LEU 73 CO 0.88 2.02 1.52 -0.81 0.00 0.00 0.00 177.39 181.00 1cyu n PRO 74 N 0.73 1.87 0.00 1.96 -0.04 0.69 -3.09 135.00 137.12 1cyu n PRO 74 Ca 0.06 -0.95 0.00 0.00 -0.04 0.00 0.00 63.50 62.57 1cyu n PRO 74 Cb 0.69 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 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 2.22 2.98 0.11 0.55 0.00 -1.26 -4.72 105.19 105.07 1cyu n GLY 75 Ca 0.37 0.00 -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 -1.05 0.68 -2.74 1.61 7.27 -1.26 -5.06 117.38 116.82 1cyu n GLN 76 Ca 0.00 0.04 -0.03 0.00 0.07 0.00 0.00 57.00 57.09 1cyu n GLN 76 Cb 0.00 -1.53 0.00 0.00 2.41 0.00 0.00 30.24 31.13 1cyu n GLN 76 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1cyu n ASN 77 N -2.90 -7.91 -3.46 1.69 4.05 -1.26 -5.00 115.26 100.46 1cyu n ASN 77 Ca -0.36 1.11 -0.27 0.00 0.45 0.00 0.00 54.58 55.50 1cyu n ASN 77 Cb 1.11 -5.30 -0.10 0.00 1.23 0.00 0.00 39.78 36.72 1cyu n ASN 77 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1cyu s GLU 78 N -1.95 1.06 0.28 1.20 2.02 -1.25 -5.01 118.70 115.05 1cyu s GLU 78 Ca 0.09 -2.21 0.00 0.00 0.02 0.00 0.00 54.97 52.87 1cyu s GLU 78 Cb -0.02 -1.64 0.00 0.00 0.10 0.00 0.00 34.13 32.56 1cyu s GLU 78 CO 0.77 -1.37 0.00 -3.47 0.02 0.00 0.00 175.26 171.21 1cyu n ASP 79 N 2.82 -4.96 -2.20 -0.19 -0.08 -1.26 -4.97 116.55 105.71 1cyu n ASP 79 Ca 0.28 0.67 0.00 0.00 -1.51 0.00 0.00 54.79 54.22 1cyu n ASP 79 Cb 0.46 -2.05 0.00 0.00 2.34 0.00 0.00 41.12 41.87 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 -1.00 0.00 0.00 -2.67 -0.00 -1.26 -4.05 117.00 108.01 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 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.43 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 -3.22 1.47 0.31 0.14 -4.39 118.33 112.63 1cyu n VAL 81 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.10 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 -0.49 0.00 7.52 4.32 -1.26 -0.47 117.00 126.62 1cyu n LEU 82 Ca 0.00 -4.38 0.00 0.00 -0.02 0.00 0.00 56.01 51.61 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 1.97 0.49 0.41 -1.22 0.00 0.00 177.39 179.05 1cyu n THR 83 N 2.10 1.75 -4.15 -5.08 -1.04 -1.24 -4.48 114.28 102.14 1cyu n THR 83 Ca 0.24 0.49 -0.32 0.00 -2.04 0.00 0.00 64.05 62.42 1cyu n THR 83 Cb 0.52 -1.49 -0.08 0.00 -1.82 0.00 0.00 70.33 67.46 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 -2.87 1.96 0.00 3.41 0.00 -1.20 -4.81 107.32 103.81 1cyu s GLY 84 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.76 1cyu s GLY 84 CO 0.00 -0.87 0.00 1.58 0.00 0.00 0.00 173.10 173.81 1cyu n TYR 85 N 0.99 0.00 -3.61 1.90 0.18 -1.18 -3.07 117.16 112.37 1cyu n TYR 85 Ca -0.12 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.50 1cyu n TYR 85 Cb 0.52 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.41 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 0.92 0.00 -3.48 -1.52 0.38 -4.84 119.66 111.11 1cyu s GLN 86 Ca 0.00 0.03 0.00 0.00 -1.95 0.00 0.00 55.36 53.44 1cyu s GLN 86 Cb 0.00 0.42 0.00 0.00 -0.22 0.00 0.00 33.01 33.21 1cyu s GLN 86 CO 0.00 -0.29 0.00 1.55 -0.25 0.00 0.00 175.29 176.30 1cyu n VAL 87 N 0.96 0.00 -0.44 1.09 3.14 -1.26 -3.18 118.33 118.64 1cyu n VAL 87 Ca -0.20 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 1cyu n VAL 87 Cb 0.57 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.35 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 1.25 -0.51 6.55 5.75 -1.26 -3.03 116.55 125.31 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 -3.58 0.11 4.81 -1.26 -3.92 118.16 114.32 1cyu n LYS 89 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.20 1cyu n LYS 89 Cb 0.00 -1.73 -0.04 0.00 0.02 0.00 0.00 35.03 33.29 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 0.22 -1.99 -0.09 3.14 6.94 -0.05 -4.74 115.26 118.69 1cyu n ASN 90 Ca 0.00 -0.45 -0.20 0.00 -0.02 0.00 0.00 54.58 53.90 1cyu n ASN 90 Cb 0.35 -1.74 -0.07 0.00 -2.36 0.00 0.00 39.78 35.96 1cyu n ASN 90 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1cyu n LYS 91 N -3.45 0.40 -0.03 -3.83 5.02 -1.25 -4.41 118.16 110.60 1cyu n LYS 91 Ca 0.05 0.17 0.03 0.00 -2.02 0.00 0.00 58.31 56.54 1cyu n LYS 91 Cb 0.49 -1.16 0.12 0.00 -0.02 0.00 0.00 35.03 34.46 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 -3.84 0.39 -4.55 4.39 -0.08 -1.26 -4.75 116.55 106.84 1cyu n ASP 92 Ca -0.37 -1.90 -0.31 0.00 -1.51 0.00 0.00 54.79 50.69 1cyu n ASP 92 Cb 0.76 -0.04 -0.04 0.00 2.34 0.00 0.00 41.12 44.14 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 -1.11 4.93 0.42 1.67 2.15 -1.26 -4.90 116.67 118.57 1cyu s ASP 93 Ca 0.09 0.11 0.08 0.00 0.43 0.00 0.00 52.55 53.26 1cyu s ASP 93 Cb 0.05 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 40.12 1cyu s ASP 93 CO 0.07 -2.76 0.43 -1.61 -0.17 0.00 0.00 175.17 171.13 1cyu s GLU 94 N 7.46 2.60 0.33 4.34 2.02 -1.26 -5.09 118.70 129.10 1cyu s GLU 94 Ca 0.76 -1.47 -0.24 0.00 0.02 0.00 0.00 54.97 54.04 1cyu s GLU 94 Cb -0.11 -2.47 -0.10 0.00 0.10 0.00 0.00 34.13 31.54 1cyu s GLU 94 CO 0.13 -0.22 0.92 -0.51 0.02 0.00 0.00 175.26 175.60 1cyu s LEU 95 N -4.19 4.26 0.45 1.80 1.02 -1.26 -5.07 118.68 115.68 1cyu s LEU 95 Ca 0.50 1.76 0.05 0.00 0.02 0.00 0.00 54.13 56.45 1cyu s LEU 95 Cb -0.05 -4.08 -0.05 0.00 0.02 0.00 0.00 46.19 42.03 1cyu s LEU 95 CO 0.29 -0.12 0.01 0.42 0.02 0.00 0.00 176.35 176.97 1cyu s THR 96 N -1.73 1.67 0.00 5.49 -4.23 -1.26 -4.55 115.64 111.04 1cyu s THR 96 Ca 0.52 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 1cyu s THR 96 Cb -0.16 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 71.00 1cyu s THR 96 CO 0.21 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 1cyu n GLY 97 N -1.08 0.76 0.00 3.99 0.00 -1.26 -4.96 105.19 102.64 1cyu n GLY 97 Ca -0.10 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1cyu n GLY 97 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01