#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 1.03 -2.56 3.17 3.06 -1.26 -4.72 119.36 118.08 1cyu n ILE 2 Ca 0.00 -4.76 -0.43 0.00 -2.50 0.00 0.00 62.75 55.06 1cyu n ILE 2 Cb 0.00 -1.70 -0.02 0.00 0.54 0.00 0.00 39.64 38.46 1cyu n ILE 2 CO 0.00 0.00 0.00 -2.16 -2.50 0.00 0.00 176.55 171.89 1cyu s PRO 3 N -2.16 4.22 -0.00 9.51 0.04 -1.25 -4.92 135.00 140.44 1cyu s PRO 3 Ca 0.39 1.45 -0.18 0.00 0.04 0.00 0.00 61.00 62.70 1cyu s PRO 3 Cb 0.20 -3.70 -0.06 0.00 0.04 0.00 0.00 34.50 30.98 1cyu s PRO 3 CO -0.07 -0.69 0.52 0.20 0.04 0.00 0.00 177.00 177.00 1cyu s GLY 4 N 1.58 2.56 -1.37 0.56 0.00 -1.26 -3.91 107.32 105.49 1cyu s GLY 4 Ca 0.49 -0.07 -0.12 0.00 0.00 0.00 0.00 44.72 45.02 1cyu s GLY 4 CO 0.10 0.54 0.40 0.61 0.00 0.00 0.00 173.10 174.75 1cyu n GLY 5 N 2.25 -0.45 0.00 0.20 0.00 -1.26 -4.62 105.19 101.31 1cyu n GLY 5 Ca -0.09 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1cyu n GLY 5 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1cyu n LEU 6 N -4.61 0.00 0.00 0.99 -0.00 -1.26 -3.72 117.00 108.40 1cyu n LEU 6 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.77 1cyu n LEU 6 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.07 1cyu n LEU 6 CO 0.77 -1.18 0.00 -1.20 -0.00 0.00 0.00 177.39 175.78 1cyu n SER 7 N -1.66 0.00 -4.41 1.45 7.64 -1.26 -4.16 113.62 111.22 1cyu n SER 7 Ca 0.00 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.43 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 3.84 0.00 1.43 8.01 -1.26 -4.93 118.70 125.80 1cyu s GLU 8 Ca 0.00 -2.37 0.00 0.00 0.01 0.00 0.00 54.97 52.61 1cyu s GLU 8 Cb 0.00 -4.81 0.00 0.00 -4.31 0.00 0.00 34.13 25.01 1cyu s GLU 8 CO 0.00 -1.59 0.00 0.00 0.01 0.00 0.00 175.26 173.68 1cyu n ALA 9 N 5.17 0.00 -2.41 5.21 0.00 -1.24 -1.11 120.51 126.13 1cyu n ALA 9 Ca 0.26 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.49 1cyu n ALA 9 Cb 0.45 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.80 1cyu n ALA 9 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1cyu s LYS 10 N -2.00 1.50 -0.43 0.00 1.02 -1.16 -4.93 119.74 113.75 1cyu s LYS 10 Ca 0.00 -1.75 -0.29 0.00 0.02 0.00 0.00 55.97 53.95 1cyu s LYS 10 Cb 0.00 -1.10 0.02 0.00 -0.52 0.00 0.00 37.83 36.23 1cyu s LYS 10 CO 0.00 0.04 1.32 -1.25 -0.92 0.00 0.00 175.35 174.54 1cyu s PRO 11 N -3.73 3.64 -0.07 -1.68 0.04 -1.26 -2.42 135.00 129.51 1cyu s PRO 11 Ca 0.28 0.83 -0.06 0.00 0.04 0.00 0.00 61.00 62.09 1cyu s PRO 11 Cb 0.03 -3.98 0.01 0.00 0.04 0.00 0.00 34.50 30.60 1cyu s PRO 11 CO 0.11 -1.49 0.10 0.00 0.04 0.00 0.00 177.00 175.76 1cyu n ALA 12 N 8.46 -1.55 -0.52 8.56 0.00 -0.61 -4.82 120.51 130.03 1cyu n ALA 12 Ca 0.15 0.05 -0.28 0.00 0.00 0.00 0.00 53.44 53.36 1cyu n ALA 12 Cb 0.48 -0.52 0.26 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.58 2.00 -1.38 0.00 -4.23 -1.26 -4.65 115.64 105.54 1cyu s THR 13 Ca 0.06 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 60.79 1cyu s THR 13 Cb -0.01 -2.05 0.36 0.00 1.34 0.00 0.00 72.50 72.15 1cyu s THR 13 CO 0.14 -0.00 1.72 -0.81 -0.54 0.00 0.00 174.62 175.13 1cyu n PRO 14 N -5.00 0.28 -0.08 3.99 -0.04 -1.26 -1.49 135.00 131.41 1cyu n PRO 14 Ca 0.02 0.08 -0.08 0.00 -0.04 0.00 0.00 63.50 63.49 1cyu n PRO 14 Cb 0.54 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.31 0.46 -0.20 0.54 2.13 -1.26 -4.08 120.64 116.92 1cyu n GLU 15 Ca 0.10 0.18 0.01 0.00 0.66 0.00 0.00 57.16 58.11 1cyu n GLU 15 Cb 0.19 -1.31 0.11 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 -0.88 0.64 -0.53 6.31 1.08 -1.91 0.24 117.51 122.48 1cyu h ILE 16 Ca 0.00 -0.09 0.06 0.00 -0.39 0.00 0.00 64.86 64.44 1cyu h ILE 16 Cb 0.88 0.34 -0.03 0.00 -3.07 0.00 0.00 36.82 34.94 1cyu h ILE 16 CO 0.00 0.05 0.35 0.06 -0.69 0.00 0.00 178.15 177.92 1cyu h GLN 17 N 0.27 0.45 -0.58 2.37 3.07 -1.50 0.12 115.11 119.31 1cyu h GLN 17 Ca 0.32 -0.03 0.05 0.00 0.09 0.00 0.00 58.65 59.09 1cyu h GLN 17 Cb 0.48 -0.10 -0.03 0.00 0.08 0.00 0.00 27.48 27.90 1cyu h GLN 17 CO -0.40 0.30 0.39 1.49 0.09 0.00 0.00 178.83 180.69 1cyu h GLU 18 N 0.46 0.58 -0.48 0.06 4.57 -0.66 0.31 114.58 119.42 1cyu h GLU 18 Ca 0.23 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.34 1cyu h GLU 18 Cb 0.32 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 1cyu h GLU 18 CO -0.06 0.39 0.14 0.97 -1.18 0.00 0.00 179.01 179.26 1cyu h ILE 19 N 0.60 1.20 0.00 2.32 -0.00 -0.60 0.35 117.51 121.38 1cyu h ILE 19 Ca 0.24 -0.70 -0.01 0.00 -0.00 0.00 0.00 64.86 64.40 1cyu h ILE 19 Cb 0.21 0.68 -0.00 0.00 -0.00 0.00 0.00 36.82 37.71 1cyu h ILE 19 CO -0.07 0.26 -0.05 0.58 -0.00 0.00 0.00 178.15 178.87 1cyu h VAL 20 N 0.70 0.17 -0.00 2.19 2.07 -0.25 -1.92 116.25 119.21 1cyu h VAL 20 Ca 0.16 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1cyu h VAL 20 Cb 0.23 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1cyu h VAL 20 CO -0.01 0.05 -0.91 -0.67 0.02 0.00 0.00 177.57 176.05 1cyu n ASP 21 N -3.22 0.99 0.00 0.57 -0.08 0.19 -3.52 116.55 111.48 1cyu n ASP 21 Ca -0.01 -1.00 0.00 0.00 -1.51 0.00 0.00 54.79 52.28 1cyu n ASP 21 Cb 0.26 0.97 0.00 0.00 2.34 0.00 0.00 41.12 44.70 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 -1.39 0.00 0.00 -0.67 3.00 0.99 -3.99 118.16 116.09 1cyu n LYS 22 Ca 0.04 0.08 0.15 0.00 -0.00 0.00 0.00 58.31 58.58 1cyu n LYS 22 Cb 0.32 -0.40 0.69 0.00 0.00 0.00 0.00 35.03 35.64 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 -1.54 0.00 -2.69 3.15 0.31 -1.03 -3.83 118.33 112.70 1cyu n VAL 23 Ca 0.00 -0.04 -0.19 0.00 -0.01 0.00 0.00 64.34 64.10 1cyu n VAL 23 Cb 0.00 -0.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.68 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 -1.03 2.29 0.00 5.55 5.02 -1.21 -4.85 118.16 123.94 1cyu n LYS 24 Ca 0.16 -3.97 0.04 0.00 -2.02 0.00 0.00 58.31 52.52 1cyu n LYS 24 Cb 0.25 -1.82 0.24 0.00 -0.02 0.00 0.00 35.03 33.68 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 -0.21 0.68 0.00 1.97 -0.04 -1.23 -1.40 135.00 134.77 1cyu n PRO 25 Ca 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1cyu n PRO 25 Cb 0.68 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 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 -0.69 0.00 0.17 0.54 1.13 -1.26 -4.43 117.38 112.84 1cyu n GLN 26 Ca 0.06 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.24 1cyu n GLN 26 Cb 0.03 -0.57 0.61 0.00 0.11 0.00 0.00 30.24 30.41 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 0.00 0.00 0.00 1.08 3.38 -1.86 0.26 115.31 118.18 1cyu h LEU 27 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1cyu h LEU 27 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1cyu h LEU 27 CO 0.00 0.00 -0.84 1.21 0.09 0.00 0.00 178.44 178.90 1cyu n GLU 28 N -2.32 0.08 -0.73 1.13 0.00 -0.49 -4.34 120.64 113.97 1cyu n GLU 28 Ca -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.16 1cyu n GLU 28 Cb 0.08 -1.52 0.00 0.00 0.00 0.00 0.00 31.44 30.00 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 -1.63 0.00 -0.05 5.31 0.28 -0.30 -4.47 120.64 119.79 1cyu n GLU 29 Ca 0.04 -1.15 -0.05 0.00 -0.16 0.00 0.00 57.16 55.84 1cyu n GLU 29 Cb 0.36 -0.34 -0.02 0.00 1.43 0.00 0.00 31.44 32.88 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 0.11 0.32 -0.48 3.44 4.81 0.78 -4.14 118.16 123.00 1cyu n LYS 30 Ca 0.01 0.22 0.42 0.00 -0.87 0.00 0.00 58.31 58.09 1cyu n LYS 30 Cb 0.78 -1.16 0.78 0.00 0.02 0.00 0.00 35.03 35.45 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 -0.63 0.25 -5.90 3.15 1.03 -1.79 -3.42 112.91 105.60 1cyu h THR 31 Ca 0.00 -0.00 -0.42 0.00 -0.01 0.00 0.00 66.41 65.97 1cyu h THR 31 Cb 0.54 0.25 -0.25 0.00 -1.07 0.00 0.00 68.15 67.61 1cyu h THR 31 CO 0.00 0.00 -0.62 -0.46 -0.01 0.00 0.00 175.52 174.43 1cyu n ASN 32 N -4.09 -1.06 -4.76 0.00 0.23 -1.26 -4.82 115.26 99.49 1cyu n ASN 32 Ca 0.33 -0.85 -0.31 0.00 -0.53 0.00 0.00 54.58 53.22 1cyu n ASN 32 Cb 1.55 -1.08 0.09 0.00 -2.08 0.00 0.00 39.78 38.26 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 -5.29 2.28 -0.26 -3.83 2.56 -1.26 -4.89 118.70 108.01 1cyu s GLU 33 Ca 0.52 1.22 -0.01 0.00 0.00 0.00 0.00 54.97 56.70 1cyu s GLU 33 Cb -0.30 -1.90 0.17 0.00 2.00 0.00 0.00 34.13 34.10 1cyu s GLU 33 CO 0.69 -1.63 2.05 -2.37 -0.56 0.00 0.00 175.26 173.44 1cyu n THR 34 N -3.39 2.65 -2.40 -1.70 5.66 -1.26 -4.82 114.28 109.02 1cyu n THR 34 Ca 0.09 -1.48 0.00 0.00 -3.05 0.00 0.00 64.05 59.62 1cyu n THR 34 Cb 0.53 -1.38 0.00 0.00 -1.55 0.00 0.00 70.33 67.93 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 0.59 0.00 -3.18 1.09 4.01 -1.26 -5.07 117.16 113.34 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 0.56 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.54 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 1.00 5.19 1.70 2.72 0.00 -1.26 -4.69 105.19 109.85 1cyu n GLY 36 Ca 0.00 -2.76 0.02 0.00 0.00 0.00 0.00 46.02 43.28 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 0.51 0.72 -2.82 1.61 5.02 -1.26 -4.88 118.16 117.06 1cyu n LYS 37 Ca 0.31 -2.58 -0.30 0.00 -2.02 0.00 0.00 58.31 53.72 1cyu n LYS 37 Cb 0.38 -0.64 -0.02 0.00 -0.02 0.00 0.00 35.03 34.73 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 0.01 5.21 0.00 -0.35 7.99 -1.26 0.44 117.00 129.05 1cyu n LEU 38 Ca 0.09 -5.57 0.00 0.00 -0.01 0.00 0.00 56.01 50.52 1cyu n LEU 38 Cb 1.01 -0.70 0.00 0.00 -0.11 0.00 0.00 43.42 43.62 1cyu n LEU 38 CO 0.00 2.27 0.00 1.21 -1.51 0.00 0.00 177.39 179.36 1cyu n GLU 39 N -0.23 0.00 -1.32 3.23 4.07 -1.08 -4.80 120.64 120.50 1cyu n GLU 39 Ca 0.36 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 57.14 1cyu n GLU 39 Cb 0.38 0.00 0.09 0.00 -0.06 0.00 0.00 31.44 31.84 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 2.24 -0.25 4.31 0.00 -1.26 -0.29 121.76 125.52 1cyu s ALA 40 Ca 0.00 0.36 0.05 0.00 0.00 0.00 0.00 51.96 52.36 1cyu s ALA 40 Cb 0.00 -3.30 -0.19 0.00 0.00 0.00 0.00 23.12 19.64 1cyu s ALA 40 CO 0.00 -1.74 -0.16 1.55 0.00 0.00 0.00 175.76 175.40 1cyu n VAL 41 N -3.34 1.48 0.00 0.00 3.14 -0.21 -3.85 118.33 115.54 1cyu n VAL 41 Ca 0.10 -0.63 0.00 0.00 -2.96 0.00 0.00 64.34 60.85 1cyu n VAL 41 Cb 0.53 -1.25 0.00 0.00 -1.06 0.00 0.00 33.84 32.06 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 -3.17 0.00 -3.65 1.45 0.00 -0.52 -1.57 117.38 109.93 1cyu n GLN 42 Ca -0.43 0.00 -0.17 0.00 -0.00 0.00 0.00 57.00 56.40 1cyu n GLN 42 Cb 1.02 0.00 -0.15 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 -0.21 0.10 3.69 1.13 -1.02 -1.14 117.35 117.89 1cyu s TYR 43 Ca 0.00 0.60 -0.11 0.00 -1.41 0.00 0.00 57.07 56.16 1cyu s TYR 43 Cb 0.00 -0.25 -0.06 0.00 -1.10 0.00 0.00 41.96 40.55 1cyu s TYR 43 CO 0.00 -0.32 0.43 0.21 -2.51 0.00 0.00 175.55 173.36 1cyu s LYS 44 N 2.31 3.81 -0.07 -3.49 2.47 -0.35 -2.99 119.74 121.43 1cyu s LYS 44 Ca 0.03 0.24 0.02 0.00 -1.56 0.00 0.00 55.97 54.71 1cyu s LYS 44 Cb -0.12 -2.98 -0.02 0.00 -1.46 0.00 0.00 37.83 33.25 1cyu s LYS 44 CO -0.07 0.54 -0.13 0.95 0.16 0.00 0.00 175.35 176.80 1cyu s THR 45 N -1.42 3.11 0.06 3.43 -4.23 -0.26 -1.42 115.64 114.91 1cyu s THR 45 Ca 0.34 -0.69 -0.16 0.00 -1.18 0.00 0.00 61.69 60.01 1cyu s THR 45 Cb -0.14 -2.24 0.03 0.00 1.34 0.00 0.00 72.50 71.48 1cyu s THR 45 CO 0.18 0.58 0.35 0.00 -0.54 0.00 0.00 174.62 175.19 1cyu s GLN 46 N -0.47 0.89 0.00 3.99 -2.07 -1.12 -4.85 119.66 116.03 1cyu s GLN 46 Ca 0.06 -0.49 0.00 0.00 -1.82 0.00 0.00 55.36 53.11 1cyu s GLN 46 Cb -0.12 0.39 0.00 0.00 -1.09 0.00 0.00 33.01 32.19 1cyu s GLN 46 CO 0.02 -0.30 0.00 0.28 -1.32 0.00 0.00 175.29 173.97 1cyu n VAL 47 N 0.42 0.00 0.00 3.63 0.31 -1.26 0.28 118.33 121.70 1cyu n VAL 47 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1cyu n VAL 47 Cb 0.60 -0.93 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 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 0.36 0.00 0.00 0.00 -1.21 0.21 105.19 104.55 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 -1.97 2.61 -1.04 -1.26 -4.43 114.28 108.19 1cyu n THR 51 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.71 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 6.11 -0.07 8.00 3.84 0.14 -3.05 114.94 129.92 1cyu s ASN 52 Ca 0.00 1.31 -0.04 0.00 0.21 0.00 0.00 52.86 54.34 1cyu s ASN 52 Cb 0.00 -2.35 0.03 0.00 -0.55 0.00 0.00 41.25 38.38 1cyu s ASN 52 CO 0.00 -0.91 0.16 -0.31 -2.79 0.00 0.00 177.10 173.25 1cyu s TYR 53 N -3.15 -0.18 -0.69 0.43 2.02 0.16 -2.79 117.35 113.14 1cyu s TYR 53 Ca 0.55 0.50 -0.04 0.00 -0.37 0.00 0.00 57.07 57.70 1cyu s TYR 53 Cb -0.11 -0.03 0.18 0.00 -0.40 0.00 0.00 41.96 41.60 1cyu s TYR 53 CO 0.52 -0.15 0.53 -0.47 -1.57 0.00 0.00 175.55 174.41 1cyu s TYR 54 N 0.86 3.51 -0.83 2.71 6.14 -0.51 -0.91 117.35 128.33 1cyu s TYR 54 Ca -0.06 -2.69 -0.16 0.00 0.64 0.00 0.00 57.07 54.80 1cyu s TYR 54 Cb -0.08 -3.27 0.18 0.00 0.42 0.00 0.00 41.96 39.21 1cyu s TYR 54 CO -0.04 -0.84 0.85 0.42 0.64 0.00 0.00 175.55 176.57 1cyu s ILE 55 N -0.26 5.31 -0.44 3.14 1.09 0.84 -1.21 121.20 129.68 1cyu s ILE 55 Ca 0.19 -2.10 -0.29 0.00 -1.10 0.00 0.00 60.65 57.35 1cyu s ILE 55 Cb -0.17 -4.55 0.02 0.00 -1.06 0.00 0.00 42.46 36.70 1cyu s ILE 55 CO -0.05 -1.16 1.23 -0.75 -0.10 0.00 0.00 174.94 174.12 1cyu s LYS 56 N 1.06 3.69 0.29 2.79 2.20 -0.29 -0.36 119.74 129.11 1cyu s LYS 56 Ca 0.21 0.73 -0.19 0.00 -0.36 0.00 0.00 55.97 56.36 1cyu s LYS 56 Cb -0.10 -3.94 -0.09 0.00 -1.51 0.00 0.00 37.83 32.19 1cyu s LYS 56 CO -0.08 -1.42 0.79 0.54 -0.36 0.00 0.00 175.35 174.82 1cyu s VAL 57 N 4.75 4.53 -0.05 4.02 0.11 -0.80 -1.05 120.40 131.90 1cyu s VAL 57 Ca 0.53 1.29 -0.11 0.00 -2.93 0.00 0.00 61.98 60.76 1cyu s VAL 57 Cb -0.10 -3.78 -0.05 0.00 -1.53 0.00 0.00 36.38 30.92 1cyu s VAL 57 CO 0.31 0.03 0.28 -0.60 -3.33 0.00 0.00 175.10 171.80 1cyu s ARG 58 N -2.40 3.69 -0.05 1.54 3.52 0.61 -1.19 118.95 124.67 1cyu s ARG 58 Ca 0.49 0.15 0.14 0.00 -0.13 0.00 0.00 55.73 56.38 1cyu s ARG 58 Cb -0.14 -3.20 0.27 0.00 -1.56 0.00 0.00 34.95 30.32 1cyu s ARG 58 CO 0.20 0.73 1.12 0.00 -0.81 0.00 0.00 175.30 176.53 1cyu n ALA 59 N 1.84 2.44 0.00 6.12 0.00 -1.13 -2.65 120.51 127.13 1cyu n ALA 59 Ca -0.16 -2.11 0.00 0.00 0.00 0.00 0.00 53.44 51.17 1cyu n ALA 59 Cb 0.54 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.18 0.26 0.07 0.00 0.00 1.53 -4.06 105.19 102.81 1cyu n GLY 60 Ca 0.07 -2.10 -0.02 0.00 0.00 0.00 0.00 46.02 43.98 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 0.06 -0.01 1.61 2.03 -1.26 -4.45 116.55 114.53 1cyu n ASP 61 Ca 0.00 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.38 1cyu n ASP 61 Cb 0.00 1.37 -0.11 0.00 -0.72 0.00 0.00 41.12 41.66 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 -2.55 1.40 -4.72 1.67 6.94 -1.26 -4.96 115.26 111.78 1cyu n ASN 62 Ca -0.22 -0.19 -0.33 0.00 -0.02 0.00 0.00 54.58 53.82 1cyu n ASN 62 Cb 0.93 1.52 -0.08 0.00 -2.36 0.00 0.00 39.78 39.79 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 -2.87 2.90 -0.25 -3.83 1.02 -1.26 -3.25 119.74 112.19 1cyu s LYS 63 Ca -0.03 -0.54 -0.13 0.00 0.02 0.00 0.00 55.97 55.29 1cyu s LYS 63 Cb 0.10 -2.75 0.09 0.00 -0.52 0.00 0.00 37.83 34.75 1cyu s LYS 63 CO 0.61 0.64 0.60 -0.47 -0.92 0.00 0.00 175.35 175.81 1cyu s TYR 64 N -1.10 -1.01 0.28 3.18 5.04 -1.26 -2.86 117.35 119.63 1cyu s TYR 64 Ca 0.20 1.95 0.02 0.00 -2.44 0.00 0.00 57.07 56.80 1cyu s TYR 64 Cb -0.12 0.57 0.02 0.00 0.35 0.00 0.00 41.96 42.78 1cyu s TYR 64 CO 0.11 -0.52 0.14 1.28 -1.34 0.00 0.00 175.55 175.22 1cyu n LEU 65 N 4.64 0.00 -3.56 6.97 4.32 -0.33 -3.70 117.00 125.35 1cyu n LEU 65 Ca -0.18 -1.57 -0.10 0.00 -0.02 0.00 0.00 56.01 54.14 1cyu n LEU 65 Cb 0.55 0.05 -0.04 0.00 -1.62 0.00 0.00 43.42 42.36 1cyu n LEU 65 CO -0.00 -0.37 0.75 -2.28 -1.22 0.00 0.00 177.39 174.27 1cyu s HIS 66 N -1.62 -0.36 0.12 -1.77 2.46 -1.17 -1.90 115.29 111.05 1cyu s HIS 66 Ca 0.11 0.51 -0.16 0.00 0.47 0.00 0.00 55.06 55.99 1cyu s HIS 66 Cb -0.01 0.47 0.04 0.00 -0.13 0.00 0.00 32.58 32.95 1cyu s HIS 66 CO 0.07 -0.40 0.41 -1.17 -2.47 0.00 0.00 174.74 171.18 1cyu s LEU 67 N -1.53 0.35 -0.37 8.88 2.96 0.51 0.62 118.68 130.11 1cyu s LEU 67 Ca 0.00 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 1cyu s LEU 67 Cb -0.01 1.87 0.11 0.00 0.50 0.00 0.00 46.19 48.67 1cyu s LEU 67 CO -0.01 -0.85 0.13 -0.75 -1.32 0.00 0.00 176.35 173.55 1cyu s LYS 68 N -3.75 1.17 0.00 1.98 2.36 -1.17 -0.11 119.74 120.22 1cyu s LYS 68 Ca 0.02 -1.65 -0.28 0.00 -2.55 0.00 0.00 55.97 51.51 1cyu s LYS 68 Cb 0.02 -2.53 -0.04 0.00 -1.05 0.00 0.00 37.83 34.23 1cyu s LYS 68 CO -0.12 -1.02 0.90 0.08 1.55 0.00 0.00 175.35 176.73 1cyu s VAL 69 N 0.96 4.86 0.02 4.02 1.01 -0.08 -3.34 120.40 127.84 1cyu s VAL 69 Ca 0.13 1.88 0.02 0.00 0.00 0.00 0.00 61.98 64.01 1cyu s VAL 69 Cb -0.20 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 31.93 1cyu s VAL 69 CO -0.12 0.21 -0.08 0.12 0.00 0.00 0.00 175.10 175.24 1cyu s PHE 70 N 0.77 0.68 -0.60 5.22 5.36 0.69 0.36 117.98 130.45 1cyu s PHE 70 Ca 0.47 -0.28 0.06 0.00 -0.96 0.00 0.00 56.93 56.22 1cyu s PHE 70 Cb -0.20 -0.42 0.30 0.00 -0.34 0.00 0.00 43.02 42.36 1cyu s PHE 70 CO 0.25 -0.03 0.86 1.63 -1.46 0.00 0.00 175.22 176.48 1cyu n LYS 71 N 2.28 2.89 -1.21 10.12 5.02 -1.17 -0.82 118.16 135.26 1cyu n LYS 71 Ca -0.17 -4.75 -0.49 0.00 -2.02 0.00 0.00 58.31 50.88 1cyu n LYS 71 Cb 0.56 -2.23 -0.08 0.00 -0.02 0.00 0.00 35.03 33.27 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 0.22 0.81 -2.72 4.39 7.64 -0.98 -4.40 113.62 118.59 1cyu n SER 72 Ca 0.30 0.79 -0.08 0.00 1.01 0.00 0.00 58.87 60.89 1cyu n SER 72 Cb 0.40 -0.66 0.09 0.00 -1.01 0.00 0.00 64.21 63.03 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 3.71 -2.26 -1.97 -3.43 0.00 -0.70 -3.19 117.00 109.16 1cyu n LEU 73 Ca 0.28 -3.37 -0.12 0.00 0.00 0.00 0.00 56.01 52.81 1cyu n LEU 73 Cb -0.04 0.92 -0.14 0.00 0.00 0.00 0.00 43.42 44.16 1cyu n LEU 73 CO 0.67 1.99 1.53 -0.81 0.00 0.00 0.00 177.39 180.78 1cyu n PRO 74 N 0.60 1.90 0.00 1.96 -0.04 0.57 -3.36 135.00 136.63 1cyu n PRO 74 Ca 0.05 -0.99 0.00 0.00 -0.04 0.00 0.00 63.50 62.52 1cyu n PRO 74 Cb 0.70 -1.88 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 2.21 1.87 0.24 0.55 0.00 -1.26 -4.61 105.19 104.19 1cyu n GLY 75 Ca 0.38 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 46.20 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 0.83 -2.88 1.61 7.27 -1.26 -5.00 117.38 117.95 1cyu n GLN 76 Ca 0.00 -0.49 -0.05 0.00 0.07 0.00 0.00 57.00 56.53 1cyu n GLN 76 Cb 0.00 -1.49 0.01 0.00 2.41 0.00 0.00 30.24 31.17 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 -0.66 -7.64 -3.25 1.69 4.05 -1.26 -4.90 115.26 103.29 1cyu n ASN 77 Ca 0.12 0.94 -0.35 0.00 0.45 0.00 0.00 54.58 55.74 1cyu n ASN 77 Cb 0.35 -4.57 -0.00 0.00 1.23 0.00 0.00 39.78 36.79 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 0.46 4.30 -0.73 1.20 -0.58 -1.19 -4.96 120.64 119.14 1cyu n GLU 78 Ca 0.03 -4.65 0.10 0.00 -0.42 0.00 0.00 57.16 52.22 1cyu n GLU 78 Cb 0.24 -2.36 -0.02 0.00 -0.57 0.00 0.00 31.44 28.73 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 -0.19 -5.08 -0.86 1.62 2.03 -1.24 -4.71 116.55 108.11 1cyu n ASP 79 Ca 0.41 0.78 0.00 0.00 0.52 0.00 0.00 54.79 56.50 1cyu n ASP 79 Cb 0.33 -2.35 0.00 0.00 -0.72 0.00 0.00 41.12 38.38 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 0.00 0.00 0.00 -2.67 -0.00 -1.26 -2.32 117.00 110.75 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 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.75 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 -3.10 1.47 0.31 -0.00 -4.33 118.33 112.68 1cyu n VAL 81 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.14 1cyu n VAL 81 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 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 -1.00 0.00 7.52 4.32 -1.26 -0.23 117.00 126.36 1cyu n LEU 82 Ca 0.00 -4.15 0.00 0.00 -0.02 0.00 0.00 56.01 51.84 1cyu n LEU 82 Cb 0.00 0.67 0.00 0.00 -1.62 0.00 0.00 43.42 42.47 1cyu n LEU 82 CO 0.00 1.99 0.36 0.41 -1.22 0.00 0.00 177.39 178.93 1cyu n THR 83 N 1.97 0.89 -4.31 -5.08 -1.04 -1.22 -4.55 114.28 100.94 1cyu n THR 83 Ca 0.20 0.24 -0.27 0.00 -2.04 0.00 0.00 64.05 62.19 1cyu n THR 83 Cb 0.54 -1.24 -0.10 0.00 -1.82 0.00 0.00 70.33 67.72 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 -2.42 1.73 0.00 3.41 0.00 -1.21 -4.76 107.32 104.07 1cyu s GLY 84 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.21 1cyu s GLY 84 CO 0.00 -1.54 0.00 1.58 0.00 0.00 0.00 173.10 173.14 1cyu n TYR 85 N 0.01 0.00 -3.48 1.90 0.18 -1.14 -3.07 117.16 111.56 1cyu n TYR 85 Ca -0.11 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.55 1cyu n TYR 85 Cb 0.56 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.48 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 1.04 0.00 -3.48 -1.52 0.20 -4.87 119.66 111.03 1cyu s GLN 86 Ca 0.00 -0.17 0.00 0.00 -1.95 0.00 0.00 55.36 53.24 1cyu s GLN 86 Cb 0.00 0.48 0.00 0.00 -0.22 0.00 0.00 33.01 33.27 1cyu s GLN 86 CO 0.00 -0.41 0.00 1.55 -0.25 0.00 0.00 175.29 176.18 1cyu n VAL 87 N 0.12 0.00 0.00 1.09 3.14 -1.26 -3.07 118.33 118.35 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 0.61 -1.03 0.00 0.00 -1.06 0.00 0.00 33.84 32.37 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 0.00 6.55 5.68 -1.24 -3.37 116.55 124.17 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 -3.69 118.16 118.13 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 3.53 0.00 -0.02 3.14 6.94 -1.20 -4.15 115.26 123.50 1cyu n ASN 90 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.53 1cyu n ASN 90 Cb 0.00 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.40 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 0.00 0.19 -0.11 -3.83 5.02 -1.24 -4.55 118.16 113.63 1cyu n LYS 91 Ca 0.00 0.02 0.03 0.00 -2.02 0.00 0.00 58.31 56.34 1cyu n LYS 91 Cb 0.00 -1.08 0.09 0.00 -0.02 0.00 0.00 35.03 34.02 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 -2.60 1.17 -4.56 4.39 -0.08 -1.25 -4.70 116.55 108.92 1cyu n ASP 92 Ca -0.07 -2.03 -0.39 0.00 -1.51 0.00 0.00 54.79 50.79 1cyu n ASP 92 Cb 0.57 -0.18 -0.03 0.00 2.34 0.00 0.00 41.12 43.82 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 -0.89 6.32 -0.12 1.67 2.15 -1.26 -4.77 116.67 119.76 1cyu s ASP 93 Ca 0.13 -1.27 0.02 0.00 0.43 0.00 0.00 52.55 51.86 1cyu s ASP 93 Cb 0.07 -2.57 -0.00 0.00 -0.30 0.00 0.00 42.92 40.12 1cyu s ASP 93 CO 0.08 -1.67 -0.20 -1.61 -0.17 0.00 0.00 175.17 171.59 1cyu s GLU 94 N 5.27 3.13 -0.66 4.34 2.02 -1.26 -5.07 118.70 126.47 1cyu s GLU 94 Ca 0.48 -0.82 -0.23 0.00 0.02 0.00 0.00 54.97 54.41 1cyu s GLU 94 Cb -0.01 -2.43 0.06 0.00 0.10 0.00 0.00 34.13 31.85 1cyu s GLU 94 CO -0.07 0.14 1.01 -0.51 0.02 0.00 0.00 175.26 175.84 1cyu s LEU 95 N 0.48 4.18 0.02 1.80 1.43 -1.26 -4.98 118.68 120.35 1cyu s LEU 95 Ca -0.14 -0.85 -0.14 0.00 -1.03 0.00 0.00 54.13 51.98 1cyu s LEU 95 Cb -0.17 -2.48 0.02 0.00 0.03 0.00 0.00 46.19 43.59 1cyu s LEU 95 CO 0.05 -1.48 0.30 0.42 0.23 0.00 0.00 176.35 175.88 1cyu s THR 96 N 4.29 0.07 0.00 5.49 -4.23 -1.26 -5.10 115.64 114.90 1cyu s THR 96 Ca 0.25 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 60.16 1cyu s THR 96 Cb -0.15 -0.78 0.00 0.00 1.34 0.00 0.00 72.50 72.91 1cyu s THR 96 CO 0.12 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 1cyu n GLY 97 N 0.91 1.20 0.00 3.99 0.00 -1.25 -3.82 105.19 106.22 1cyu n GLY 97 Ca -0.20 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.67 1cyu n GLY 97 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01