#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 -0.01 -0.11 1.12 1.10 -1.26 -5.11 121.20 116.93 1cyu s ILE 2 Ca 0.00 0.05 -0.30 0.00 -0.51 0.00 0.00 60.65 59.90 1cyu s ILE 2 Cb 0.00 -0.76 -0.01 0.00 0.15 0.00 0.00 42.46 41.84 1cyu s ILE 2 CO 0.00 0.02 1.07 -2.16 -2.11 0.00 0.00 174.94 171.76 1cyu s PRO 3 N 1.39 4.37 0.17 3.50 0.04 -1.26 -5.00 135.00 138.22 1cyu s PRO 3 Ca -0.09 1.47 -0.13 0.00 0.04 0.00 0.00 61.00 62.28 1cyu s PRO 3 Cb -0.07 -3.57 -0.07 0.00 0.04 0.00 0.00 34.50 30.83 1cyu s PRO 3 CO -0.14 -0.41 0.56 0.20 0.04 0.00 0.00 177.00 177.24 1cyu s GLY 4 N 1.24 2.42 -1.60 0.56 0.00 -1.26 -3.43 107.32 105.25 1cyu s GLY 4 Ca 0.50 -0.15 -0.09 0.00 0.00 0.00 0.00 44.72 44.97 1cyu s GLY 4 CO 0.17 0.10 0.47 0.61 0.00 0.00 0.00 173.10 174.45 1cyu n GLY 5 N 0.57 -0.30 2.94 0.20 0.00 -1.26 -4.67 105.19 102.68 1cyu n GLY 5 Ca -0.04 0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 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 -4.39 -5.23 0.00 0.99 -0.00 -1.26 -3.00 117.00 104.11 1cyu n LEU 6 Ca -0.13 0.13 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1cyu n LEU 6 Cb 0.59 -0.68 0.00 0.00 -0.00 0.00 0.00 43.42 43.33 1cyu n LEU 6 CO 0.84 -5.12 0.00 -1.20 -0.00 0.00 0.00 177.39 171.91 1cyu n SER 7 N 3.43 0.00 -4.29 1.45 7.64 -1.26 -4.60 113.62 115.99 1cyu n SER 7 Ca -0.02 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.42 1cyu n SER 7 Cb 0.60 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.77 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 3.78 0.00 1.43 0.41 -1.16 -4.96 118.70 118.20 1cyu s GLU 8 Ca 0.00 -2.92 0.00 0.00 -0.41 0.00 0.00 54.97 51.64 1cyu s GLU 8 Cb 0.00 -4.39 0.00 0.00 -1.78 0.00 0.00 34.13 27.96 1cyu s GLU 8 CO 0.00 -1.26 0.00 0.00 -0.49 0.00 0.00 175.26 173.51 1cyu n ALA 9 N 3.14 0.00 -2.87 5.21 0.00 -1.24 -0.87 120.51 123.88 1cyu n ALA 9 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.35 1cyu n ALA 9 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.82 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 0.00 3.22 -0.16 0.00 1.02 -1.13 -4.90 119.74 117.79 1cyu s LYS 10 Ca 0.00 -0.62 -0.29 0.00 0.02 0.00 0.00 55.97 55.08 1cyu s LYS 10 Cb 0.00 -2.88 -0.02 0.00 -0.52 0.00 0.00 37.83 34.41 1cyu s LYS 10 CO 0.00 0.55 1.39 -1.25 -0.92 0.00 0.00 175.35 175.12 1cyu s PRO 11 N -2.82 4.14 -0.44 -1.68 0.04 -1.26 -2.27 135.00 130.71 1cyu s PRO 11 Ca 0.33 1.73 -0.03 0.00 0.04 0.00 0.00 61.00 63.07 1cyu s PRO 11 Cb -0.12 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.57 1cyu s PRO 11 CO 0.26 -0.85 0.30 0.00 0.04 0.00 0.00 177.00 176.75 1cyu n ALA 12 N 7.03 -1.87 -0.90 8.56 0.00 -1.13 -4.79 120.51 127.42 1cyu n ALA 12 Ca 0.15 -0.17 -0.36 0.00 0.00 0.00 0.00 53.44 53.07 1cyu n ALA 12 Cb 0.45 -0.50 0.08 0.00 0.00 0.00 0.00 19.45 19.47 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 -1.81 0.00 0.93 0.00 -2.24 -1.26 -4.43 114.28 105.46 1cyu n THR 13 Ca -0.14 -0.21 0.10 0.00 -2.27 0.00 0.00 64.05 61.53 1cyu n THR 13 Cb 0.33 -0.22 0.51 0.00 -2.10 0.00 0.00 70.33 68.85 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 0.88 0.21 -0.09 -0.78 -0.04 -1.26 -1.48 135.00 132.43 1cyu n PRO 14 Ca -0.00 0.10 -0.12 0.00 -0.04 0.00 0.00 63.50 63.44 1cyu n PRO 14 Cb 0.65 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.36 0.53 -0.18 0.54 2.13 -1.26 -3.95 120.64 117.08 1cyu n GLU 15 Ca 0.09 0.27 -0.03 0.00 0.66 0.00 0.00 57.16 58.15 1cyu n GLU 15 Cb 0.20 -1.48 0.07 0.00 0.27 0.00 0.00 31.44 30.49 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 0.91 -0.11 6.31 1.08 -1.87 0.13 117.51 122.97 1cyu h ILE 16 Ca -0.11 -0.17 0.03 0.00 -0.39 0.00 0.00 64.86 64.22 1cyu h ILE 16 Cb 1.03 0.38 -0.00 0.00 -3.07 0.00 0.00 36.82 35.15 1cyu h ILE 16 CO -0.07 0.09 0.09 0.06 -0.69 0.00 0.00 178.15 177.63 1cyu h GLN 17 N 0.49 0.00 -0.20 2.37 3.07 -1.47 0.14 115.11 119.51 1cyu h GLN 17 Ca 0.25 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.91 1cyu h GLN 17 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.74 1cyu h GLN 17 CO -0.20 0.00 -0.24 1.49 0.09 0.00 0.00 178.83 179.98 1cyu h GLU 18 N 0.00 0.36 -0.45 0.06 4.22 -0.86 -2.09 114.58 115.82 1cyu h GLU 18 Ca 0.05 -0.12 -0.08 0.00 0.08 0.00 0.00 59.36 59.29 1cyu h GLU 18 Cb 0.23 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1cyu h GLU 18 CO -0.00 0.58 -0.05 0.97 -2.18 0.00 0.00 179.01 178.32 1cyu h ILE 19 N 0.32 1.25 0.00 2.32 -0.00 -0.49 -0.51 117.51 120.40 1cyu h ILE 19 Ca 0.05 -1.07 0.00 0.00 -0.00 0.00 0.00 64.86 63.84 1cyu h ILE 19 Cb 0.60 0.96 0.00 0.00 -0.00 0.00 0.00 36.82 38.38 1cyu h ILE 19 CO 0.04 0.37 0.00 0.58 -0.00 0.00 0.00 178.15 179.14 1cyu h VAL 20 N 0.71 0.00 0.00 2.19 2.07 -1.11 0.49 116.25 120.59 1cyu h VAL 20 Ca 0.13 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1cyu h VAL 20 Cb 0.51 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1cyu h VAL 20 CO 0.03 0.00 -1.83 -0.67 0.02 0.00 0.00 177.57 175.12 1cyu n ASP 21 N -2.43 0.37 0.00 0.57 2.03 -0.27 -3.44 116.55 113.38 1cyu n ASP 21 Ca -0.01 -0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.19 1cyu n ASP 21 Cb 0.06 1.84 0.00 0.00 -0.72 0.00 0.00 41.12 42.30 1cyu n ASP 21 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1cyu n LYS 22 N -2.13 0.00 0.00 -0.67 3.00 0.12 -3.29 118.16 115.18 1cyu n LYS 22 Ca -0.03 0.30 0.15 0.00 -0.00 0.00 0.00 58.31 58.72 1cyu n LYS 22 Cb 0.51 -0.77 0.74 0.00 0.00 0.00 0.00 35.03 35.51 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 -1.82 0.00 -2.74 3.15 0.31 -0.93 -3.76 118.33 112.54 1cyu n VAL 23 Ca 0.00 -0.01 -0.17 0.00 -0.01 0.00 0.00 64.34 64.14 1cyu n VAL 23 Cb 0.00 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 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 -1.18 1.93 0.00 5.55 4.01 -1.22 -4.87 118.16 122.39 1cyu n LYS 24 Ca 0.15 -3.78 0.05 0.00 -0.51 0.00 0.00 58.31 54.23 1cyu n LYS 24 Cb 0.24 -1.70 0.32 0.00 -0.51 0.00 0.00 35.03 33.38 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 -0.13 0.66 0.00 1.97 -0.04 -1.21 -1.48 135.00 134.78 1cyu n PRO 25 Ca 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1cyu n PRO 25 Cb 0.70 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.90 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 -0.76 0.00 0.18 0.54 6.02 -1.26 -4.46 117.38 117.64 1cyu n GLN 26 Ca 0.08 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.20 1cyu n GLN 26 Cb 0.04 -0.58 0.64 0.00 1.02 0.00 0.00 30.24 31.36 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 0.00 0.00 0.00 1.08 3.38 -1.85 0.68 115.31 118.61 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 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1cyu h LEU 27 CO 0.00 0.00 -0.94 1.21 0.09 0.00 0.00 178.44 178.80 1cyu n GLU 28 N -2.35 0.19 -0.34 1.13 0.00 -0.55 -4.30 120.64 114.42 1cyu n GLU 28 Ca -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 57.16 57.15 1cyu n GLU 28 Cb 0.07 -1.56 0.01 0.00 0.00 0.00 0.00 31.44 29.96 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 -1.79 0.13 -0.03 5.31 0.28 -0.16 -4.59 120.64 119.79 1cyu n GLU 29 Ca 0.03 -0.97 -0.03 0.00 -0.16 0.00 0.00 57.16 56.03 1cyu n GLU 29 Cb 0.40 -0.57 -0.01 0.00 1.43 0.00 0.00 31.44 32.70 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 -0.09 0.21 -0.42 3.44 0.00 0.22 -4.04 118.16 117.48 1cyu n LYS 30 Ca 0.01 0.30 0.40 0.00 0.00 0.00 0.00 58.31 59.02 1cyu n LYS 30 Cb 0.64 -1.10 0.74 0.00 0.00 0.00 0.00 35.03 35.31 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 -0.44 0.21 -5.99 3.15 1.03 -1.78 -3.42 112.91 105.66 1cyu h THR 31 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 66.41 65.97 1cyu h THR 31 Cb 0.28 0.23 -0.26 0.00 -1.07 0.00 0.00 68.15 67.33 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 -3.95 -1.34 -4.73 0.00 0.23 -1.26 -4.81 115.26 99.39 1cyu n ASN 32 Ca 0.31 -0.80 -0.34 0.00 -0.53 0.00 0.00 54.58 53.22 1cyu n ASN 32 Cb 1.52 -1.18 0.08 0.00 -2.08 0.00 0.00 39.78 38.11 1cyu n ASN 32 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1cyu s GLU 33 N -5.60 2.30 -0.27 -3.83 8.01 -1.26 -4.87 118.70 113.18 1cyu s GLU 33 Ca 0.57 1.65 -0.01 0.00 0.01 0.00 0.00 54.97 57.18 1cyu s GLU 33 Cb -0.33 -1.86 0.15 0.00 -4.31 0.00 0.00 34.13 27.78 1cyu s GLU 33 CO 0.70 -1.68 2.11 -2.37 0.01 0.00 0.00 175.26 174.03 1cyu n THR 34 N -2.67 2.70 -2.20 3.63 5.66 -1.26 -4.82 114.28 115.32 1cyu n THR 34 Ca 0.12 -1.56 0.00 0.00 -3.05 0.00 0.00 64.05 59.57 1cyu n THR 34 Cb 0.51 -1.40 0.00 0.00 -1.55 0.00 0.00 70.33 67.89 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 0.64 0.00 -3.25 1.09 4.01 -1.26 -5.07 117.16 113.32 1cyu n TYR 35 Ca 0.27 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.70 1cyu n TYR 35 Cb 0.57 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.55 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 5.05 1.64 2.72 0.00 -1.26 -4.69 105.19 108.65 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 0.75 0.52 -2.79 1.61 5.02 -1.26 -4.88 118.16 117.13 1cyu n LYS 37 Ca 0.30 -2.42 -0.31 0.00 -2.02 0.00 0.00 58.31 53.86 1cyu n LYS 37 Cb 0.39 -0.47 -0.02 0.00 -0.02 0.00 0.00 35.03 34.91 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 0.14 5.34 0.00 -0.35 7.99 -1.26 0.43 117.00 129.28 1cyu n LEU 38 Ca 0.08 -5.54 0.00 0.00 -0.01 0.00 0.00 56.01 50.54 1cyu n LEU 38 Cb 1.04 -0.72 0.00 0.00 -0.11 0.00 0.00 43.42 43.63 1cyu n LEU 38 CO -0.01 2.25 0.00 -0.62 -1.51 0.00 0.00 177.39 177.50 1cyu n GLU 39 N -0.23 0.00 -2.00 3.23 1.02 -1.06 -4.83 120.64 116.76 1cyu n GLU 39 Ca 0.36 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 57.16 1cyu n GLU 39 Cb 0.38 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.82 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 2.56 -0.22 0.62 0.00 -1.26 0.15 121.76 122.61 1cyu s ALA 40 Ca 0.00 0.74 -0.09 0.00 0.00 0.00 0.00 51.96 52.61 1cyu s ALA 40 Cb 0.00 -3.36 -0.18 0.00 0.00 0.00 0.00 23.12 19.58 1cyu s ALA 40 CO 0.00 -1.06 -0.04 1.55 0.00 0.00 0.00 175.76 176.20 1cyu n VAL 41 N -1.83 1.58 0.00 0.00 3.14 -0.04 -3.96 118.33 117.22 1cyu n VAL 41 Ca 0.11 -0.44 0.00 0.00 -2.96 0.00 0.00 64.34 61.06 1cyu n VAL 41 Cb 0.51 -1.74 0.00 0.00 -1.06 0.00 0.00 33.84 31.56 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 -3.80 0.00 -3.94 1.45 -0.06 -0.35 -2.84 117.38 107.84 1cyu n GLN 42 Ca -0.43 0.00 -0.34 0.00 -2.00 0.00 0.00 57.00 54.23 1cyu n GLN 42 Cb 0.92 0.00 -0.14 0.00 -4.06 0.00 0.00 30.24 26.96 1cyu n GLN 42 CO 0.00 0.00 0.00 1.52 -0.20 0.00 0.00 177.06 178.38 1cyu s TYR 43 N -0.19 3.16 0.11 3.69 1.13 -0.96 -1.20 117.35 123.09 1cyu s TYR 43 Ca 0.00 -1.74 -0.14 0.00 -1.41 0.00 0.00 57.07 53.78 1cyu s TYR 43 Cb 0.00 -2.07 -0.06 0.00 -1.10 0.00 0.00 41.96 38.73 1cyu s TYR 43 CO 0.00 -0.77 0.50 0.21 -2.51 0.00 0.00 175.55 172.98 1cyu s LYS 44 N 1.28 3.94 -0.04 -3.49 2.47 -0.34 -2.85 119.74 120.71 1cyu s LYS 44 Ca -0.03 0.43 0.07 0.00 -1.56 0.00 0.00 55.97 54.88 1cyu s LYS 44 Cb -0.18 -3.00 -0.02 0.00 -1.46 0.00 0.00 37.83 33.17 1cyu s LYS 44 CO -0.03 0.53 -0.24 0.95 0.16 0.00 0.00 175.35 176.72 1cyu s THR 45 N -1.38 2.19 0.23 3.43 -4.23 -0.05 -1.23 115.64 114.59 1cyu s THR 45 Ca 0.34 -1.04 -0.17 0.00 -1.18 0.00 0.00 61.69 59.64 1cyu s THR 45 Cb -0.15 -1.78 0.02 0.00 1.34 0.00 0.00 72.50 71.92 1cyu s THR 45 CO 0.18 0.58 0.55 0.00 -0.54 0.00 0.00 174.62 175.39 1cyu s GLN 46 N -0.43 1.51 0.00 3.99 -2.07 -0.78 -4.76 119.66 117.11 1cyu s GLN 46 Ca 0.05 -1.00 0.00 0.00 -1.82 0.00 0.00 55.36 52.59 1cyu s GLN 46 Cb -0.12 0.52 0.00 0.00 -1.09 0.00 0.00 33.01 32.33 1cyu s GLN 46 CO 0.01 -0.65 0.00 0.28 -1.32 0.00 0.00 175.29 173.61 1cyu n VAL 47 N -0.37 0.00 0.00 3.63 0.31 -1.26 0.70 118.33 121.33 1cyu n VAL 47 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1cyu n VAL 47 Cb 0.62 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.35 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 -3.24 118.33 119.49 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 0.56 0.00 0.00 0.00 -1.24 0.76 105.19 105.26 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 -2.75 2.61 -1.04 -1.26 -4.39 114.28 107.45 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 0.22 -2.92 114.94 130.89 1cyu s ASN 52 Ca 0.00 1.71 0.02 0.00 0.21 0.00 0.00 52.86 54.80 1cyu s ASN 52 Cb 0.00 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.16 1cyu s ASN 52 CO 0.00 -0.44 -0.07 -0.31 -2.79 0.00 0.00 177.10 173.50 1cyu s TYR 53 N -2.19 0.68 -0.55 0.43 2.02 0.24 -1.86 117.35 116.11 1cyu s TYR 53 Ca 0.62 -0.14 0.02 0.00 -0.37 0.00 0.00 57.07 57.20 1cyu s TYR 53 Cb -0.10 -0.48 0.14 0.00 -0.40 0.00 0.00 41.96 41.11 1cyu s TYR 53 CO 0.16 -0.06 0.30 -0.47 -1.57 0.00 0.00 175.55 173.91 1cyu s TYR 54 N 0.12 3.24 -0.92 2.71 6.14 -0.36 -1.08 117.35 127.20 1cyu s TYR 54 Ca -0.01 -3.07 -0.15 0.00 0.64 0.00 0.00 57.07 54.48 1cyu s TYR 54 Cb -0.06 -2.91 0.19 0.00 0.42 0.00 0.00 41.96 39.59 1cyu s TYR 54 CO -0.00 -0.77 0.99 0.42 0.64 0.00 0.00 175.55 176.83 1cyu s ILE 55 N -0.24 5.27 -0.46 3.14 1.09 0.13 -1.20 121.20 128.92 1cyu s ILE 55 Ca 0.17 -2.24 -0.29 0.00 -1.10 0.00 0.00 60.65 57.20 1cyu s ILE 55 Cb -0.24 -4.63 0.02 0.00 -1.06 0.00 0.00 42.46 36.54 1cyu s ILE 55 CO -0.01 -1.27 1.26 -0.75 -0.10 0.00 0.00 174.94 174.07 1cyu s LYS 56 N 1.09 3.63 0.24 2.79 2.20 -0.34 -0.18 119.74 129.17 1cyu s LYS 56 Ca 0.27 0.68 -0.21 0.00 -0.36 0.00 0.00 55.97 56.35 1cyu s LYS 56 Cb -0.07 -3.97 -0.09 0.00 -1.51 0.00 0.00 37.83 32.19 1cyu s LYS 56 CO -0.08 -1.50 0.76 0.54 -0.36 0.00 0.00 175.35 174.70 1cyu s VAL 57 N 4.94 4.51 0.01 4.02 0.11 -0.90 -0.86 120.40 132.24 1cyu s VAL 57 Ca 0.53 1.36 -0.15 0.00 -2.93 0.00 0.00 61.98 60.79 1cyu s VAL 57 Cb -0.10 -3.87 -0.06 0.00 -1.53 0.00 0.00 36.38 30.82 1cyu s VAL 57 CO 0.32 0.18 0.43 -0.60 -3.33 0.00 0.00 175.10 172.10 1cyu s ARG 58 N -2.02 3.97 -0.08 1.54 3.52 0.12 -1.27 118.95 124.73 1cyu s ARG 58 Ca 0.44 0.46 0.15 0.00 -0.13 0.00 0.00 55.73 56.66 1cyu s ARG 58 Cb -0.17 -3.23 0.32 0.00 -1.56 0.00 0.00 34.95 30.31 1cyu s ARG 58 CO 0.21 0.67 1.15 0.00 -0.81 0.00 0.00 175.30 176.52 1cyu n ALA 59 N 1.86 2.63 0.00 6.12 0.00 -1.14 -2.55 120.51 127.43 1cyu n ALA 59 Ca -0.13 -2.38 0.00 0.00 0.00 0.00 0.00 53.44 50.93 1cyu n ALA 59 Cb 0.52 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.35 0.27 0.19 0.00 0.00 1.47 -3.86 105.19 102.91 1cyu n GLY 60 Ca 0.10 -2.12 0.10 0.00 0.00 0.00 0.00 46.02 44.10 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 1.39 0.00 1.61 2.03 -1.26 -4.52 116.55 115.80 1cyu n ASP 61 Ca 0.00 -1.20 0.00 0.00 0.52 0.00 0.00 54.79 54.11 1cyu n ASP 61 Cb 0.00 0.80 0.00 0.00 -0.72 0.00 0.00 41.12 41.20 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 -0.93 3.80 -4.88 1.67 0.23 -1.26 -5.04 115.26 108.84 1cyu n ASN 62 Ca 0.06 0.00 -0.30 0.00 -0.53 0.00 0.00 54.58 53.81 1cyu n ASN 62 Cb 0.38 0.27 -0.04 0.00 -2.08 0.00 0.00 39.78 38.31 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 -1.81 3.76 -0.29 -3.83 3.01 -1.25 -2.68 119.74 116.64 1cyu s LYS 63 Ca 0.00 0.28 -0.14 0.00 -1.01 0.00 0.00 55.97 55.10 1cyu s LYS 63 Cb 0.00 -2.55 0.12 0.00 -1.01 0.00 0.00 37.83 34.39 1cyu s LYS 63 CO 0.00 0.16 0.79 0.71 0.51 0.00 0.00 175.35 177.52 1cyu s TYR 64 N -2.08 -0.98 0.05 3.18 2.02 -1.26 -2.86 117.35 115.42 1cyu s TYR 64 Ca 0.48 1.83 0.00 0.00 -0.37 0.00 0.00 57.07 59.01 1cyu s TYR 64 Cb -0.11 0.59 0.00 0.00 -0.40 0.00 0.00 41.96 42.04 1cyu s TYR 64 CO 0.27 -0.49 0.03 1.28 -1.57 0.00 0.00 175.55 175.07 1cyu n LEU 65 N 4.62 0.00 -3.57 -1.29 4.32 -0.40 -3.26 117.00 117.42 1cyu n LEU 65 Ca -0.16 -0.30 -0.08 0.00 -0.02 0.00 0.00 56.01 55.45 1cyu n LEU 65 Cb 0.55 0.01 -0.04 0.00 -1.62 0.00 0.00 43.42 42.32 1cyu n LEU 65 CO -0.02 -0.21 0.83 -2.28 -1.22 0.00 0.00 177.39 174.49 1cyu s HIS 66 N -0.55 -0.29 0.17 -1.77 2.46 -1.18 -2.12 115.29 112.01 1cyu s HIS 66 Ca 0.02 0.40 -0.18 0.00 0.47 0.00 0.00 55.06 55.77 1cyu s HIS 66 Cb -0.00 0.48 0.04 0.00 -0.13 0.00 0.00 32.58 32.97 1cyu s HIS 66 CO 0.01 -0.33 0.50 -1.17 -2.47 0.00 0.00 174.74 171.29 1cyu s LEU 67 N -1.55 0.04 -0.30 8.88 2.96 0.75 0.11 118.68 129.58 1cyu s LEU 67 Ca 0.02 -0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 53.59 1cyu s LEU 67 Cb -0.01 2.15 0.10 0.00 0.50 0.00 0.00 46.19 48.93 1cyu s LEU 67 CO -0.03 -0.98 0.10 -0.75 -1.32 0.00 0.00 176.35 173.37 1cyu s LYS 68 N -3.83 0.65 0.02 1.98 2.36 -1.17 0.17 119.74 119.93 1cyu s LYS 68 Ca 0.06 -0.97 -0.26 0.00 -2.55 0.00 0.00 55.97 52.24 1cyu s LYS 68 Cb -0.00 -1.90 -0.05 0.00 -1.05 0.00 0.00 37.83 34.83 1cyu s LYS 68 CO -0.08 -0.97 0.80 0.08 1.55 0.00 0.00 175.35 176.73 1cyu s VAL 69 N 1.69 4.79 -0.05 4.02 1.01 -0.24 -3.27 120.40 128.34 1cyu s VAL 69 Ca 0.09 1.69 -0.01 0.00 0.00 0.00 0.00 61.98 63.75 1cyu s VAL 69 Cb -0.17 -4.15 0.03 0.00 0.00 0.00 0.00 36.38 32.09 1cyu s VAL 69 CO -0.26 0.31 0.03 0.12 0.00 0.00 0.00 175.10 175.31 1cyu s PHE 70 N 0.25 0.30 -1.33 5.22 5.36 0.46 0.80 117.98 129.03 1cyu s PHE 70 Ca 0.41 0.07 -0.06 0.00 -0.96 0.00 0.00 56.93 56.39 1cyu s PHE 70 Cb -0.20 -0.56 0.12 0.00 -0.34 0.00 0.00 43.02 42.03 1cyu s PHE 70 CO 0.23 -0.22 2.36 1.63 -1.46 0.00 0.00 175.22 177.76 1cyu n LYS 71 N 5.00 4.46 -1.17 10.12 5.02 -1.15 -0.00 118.16 140.43 1cyu n LYS 71 Ca -0.10 -3.41 -0.50 0.00 -2.02 0.00 0.00 58.31 52.28 1cyu n LYS 71 Cb 0.50 -2.67 -0.11 0.00 -0.02 0.00 0.00 35.03 32.73 1cyu n LYS 71 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1cyu n SER 72 N 2.03 0.59 -2.92 4.39 7.64 -1.26 -4.34 113.62 119.75 1cyu n SER 72 Ca 0.61 0.52 -0.13 0.00 1.01 0.00 0.00 58.87 60.88 1cyu n SER 72 Cb 0.26 -0.82 0.04 0.00 -1.01 0.00 0.00 64.21 62.68 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 7.34 -1.12 -2.32 -3.43 0.00 -0.45 -3.92 117.00 113.09 1cyu n LEU 73 Ca 0.52 -4.20 -0.19 0.00 0.00 0.00 0.00 56.01 52.14 1cyu n LEU 73 Cb -0.02 0.84 -0.13 0.00 0.00 0.00 0.00 43.42 44.11 1cyu n LEU 73 CO 0.80 2.15 1.95 -0.81 0.00 0.00 0.00 177.39 181.48 1cyu n PRO 74 N 0.49 2.41 0.00 1.96 -0.04 0.23 -3.69 135.00 136.36 1cyu n PRO 74 Ca 0.14 -1.42 0.00 0.00 -0.04 0.00 0.00 63.50 62.18 1cyu n PRO 74 Cb 0.67 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 2.20 0.14 0.55 0.00 -1.26 -4.60 105.19 104.71 1cyu n GLY 75 Ca 0.50 -0.37 0.02 0.00 0.00 0.00 0.00 46.02 46.17 1cyu n GLY 75 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1cyu h GLN 76 N 0.00 0.00 -5.61 1.61 4.15 -1.96 -3.48 115.11 109.81 1cyu h GLN 76 Ca 0.00 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.32 1cyu h GLN 76 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1cyu h GLN 76 CO 0.00 0.54 -0.66 -1.71 -1.93 0.00 0.00 178.83 175.06 1cyu n ASN 77 N -3.37 -7.33 -3.59 -0.69 2.85 -1.26 -4.92 115.26 96.96 1cyu n ASN 77 Ca 0.01 0.33 -0.33 0.00 -0.11 0.00 0.00 54.58 54.47 1cyu n ASN 77 Cb 0.68 -4.45 -0.04 0.00 1.24 0.00 0.00 39.78 37.21 1cyu n ASN 77 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1cyu n GLU 78 N -0.36 3.40 -0.93 1.20 -0.58 -1.25 -5.02 120.64 117.10 1cyu n GLU 78 Ca 0.06 -4.65 0.11 0.00 -0.42 0.00 0.00 57.16 52.26 1cyu n GLU 78 Cb 0.52 -2.35 -0.06 0.00 -0.57 0.00 0.00 31.44 28.98 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 0.86 -5.07 -2.44 1.62 -0.08 -1.26 -4.95 116.55 105.23 1cyu n ASP 79 Ca 0.30 0.93 0.00 0.00 -1.51 0.00 0.00 54.79 54.51 1cyu n ASP 79 Cb 0.37 -3.19 0.00 0.00 2.34 0.00 0.00 41.12 40.64 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 -3.52 0.00 0.00 -2.67 -0.00 -1.26 -4.13 117.00 105.42 1cyu n LEU 80 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.95 1cyu n LEU 80 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.86 1cyu n LEU 80 CO 0.02 0.00 0.00 0.52 -0.00 0.00 0.00 177.39 177.93 1cyu n VAL 81 N 0.00 0.00 -3.28 1.47 0.31 1.00 -4.42 118.33 113.41 1cyu n VAL 81 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.09 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 -0.47 0.00 7.52 4.32 -1.26 -0.40 117.00 126.71 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 0.60 0.00 0.00 -1.62 0.00 0.00 43.42 42.40 1cyu n LEU 82 CO 0.00 1.94 0.37 0.41 -1.22 0.00 0.00 177.39 178.89 1cyu n THR 83 N 2.34 0.99 -4.26 -5.08 -1.04 -1.23 -4.53 114.28 101.46 1cyu n THR 83 Ca 0.26 0.25 -0.29 0.00 -2.04 0.00 0.00 64.05 62.23 1cyu n THR 83 Cb 0.50 -1.25 -0.10 0.00 -1.82 0.00 0.00 70.33 67.66 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 1.75 0.00 3.41 0.00 -1.20 -4.78 107.32 104.01 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 0.00 -1.29 0.00 1.58 0.00 0.00 0.00 173.10 173.39 1cyu n TYR 85 N 0.68 0.00 -3.50 1.90 0.18 -1.18 -3.03 117.16 112.22 1cyu n TYR 85 Ca -0.14 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.48 1cyu n TYR 85 Cb 0.53 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.44 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 1.11 0.00 -3.48 -1.52 0.30 -4.86 119.66 111.21 1cyu s GLN 86 Ca 0.00 0.06 0.00 0.00 -1.95 0.00 0.00 55.36 53.47 1cyu s GLN 86 Cb 0.00 0.52 0.00 0.00 -0.22 0.00 0.00 33.01 33.31 1cyu s GLN 86 CO 0.00 -0.38 0.00 1.55 -0.25 0.00 0.00 175.29 176.21 1cyu n VAL 87 N 0.59 0.00 -1.64 1.09 3.14 -1.26 -3.10 118.33 117.14 1cyu n VAL 87 Ca -0.19 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 1cyu n VAL 87 Cb 0.59 -1.04 0.00 0.00 -1.06 0.00 0.00 33.84 32.33 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 -1.15 6.55 5.75 -1.26 -3.51 116.55 122.93 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 -3.76 0.11 0.00 -1.26 -3.98 118.16 109.27 1cyu n LYS 89 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 58.31 58.04 1cyu n LYS 89 Cb 0.00 -1.31 -0.05 0.00 0.00 0.00 0.00 35.03 33.67 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 -1.15 -1.50 -0.04 3.14 6.94 -1.09 -4.75 115.26 116.81 1cyu n ASN 90 Ca 0.00 -0.59 -0.05 0.00 -0.02 0.00 0.00 54.58 53.92 1cyu n ASN 90 Cb 0.40 -1.36 -0.02 0.00 -2.36 0.00 0.00 39.78 36.44 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 0.30 0.00 -3.83 5.02 -1.26 -4.42 118.16 110.53 1cyu n LYS 91 Ca 0.07 0.12 0.07 0.00 -2.02 0.00 0.00 58.31 56.55 1cyu n LYS 91 Cb 0.46 -1.00 0.39 0.00 -0.02 0.00 0.00 35.03 34.87 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 -3.79 0.00 -4.53 4.39 -0.08 -1.20 -4.71 116.55 106.62 1cyu n ASP 92 Ca -0.08 -0.26 -0.45 0.00 -1.51 0.00 0.00 54.79 52.49 1cyu n ASP 92 Cb 0.30 -0.10 -0.05 0.00 2.34 0.00 0.00 41.12 43.61 1cyu n ASP 92 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1cyu n ASP 93 N -1.10 2.63 -3.45 1.67 2.03 -1.26 -4.87 116.55 112.19 1cyu n ASP 93 Ca 0.09 0.17 -0.22 0.00 0.52 0.00 0.00 54.79 55.36 1cyu n ASP 93 Cb 0.07 -1.44 -0.12 0.00 -0.72 0.00 0.00 41.12 38.92 1cyu n ASP 93 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1cyu s GLU 94 N 6.67 0.27 -0.50 -0.67 2.02 -1.26 -5.08 118.70 120.15 1cyu s GLU 94 Ca 1.05 -0.29 -0.35 0.00 0.02 0.00 0.00 54.97 55.40 1cyu s GLU 94 Cb -0.53 -0.85 -0.14 0.00 0.10 0.00 0.00 34.13 32.72 1cyu s GLU 94 CO 0.39 -1.03 2.29 1.28 0.02 0.00 0.00 175.26 178.22 1cyu n LEU 95 N 5.29 1.63 -3.75 1.80 4.77 -1.26 -4.88 117.00 120.59 1cyu n LEU 95 Ca -0.04 0.30 -0.13 0.00 -0.03 0.00 0.00 56.01 56.12 1cyu n LEU 95 Cb 0.45 -1.19 -0.09 0.00 -2.33 0.00 0.00 43.42 40.25 1cyu n LEU 95 CO 0.02 -0.84 0.04 0.42 -1.33 0.00 0.00 177.39 175.70 1cyu s THR 96 N 7.98 0.03 -3.82 -5.08 -4.23 -1.26 -5.14 115.64 104.12 1cyu s THR 96 Ca 1.14 -0.22 0.00 0.00 -1.18 0.00 0.00 61.69 61.43 1cyu s THR 96 Cb -0.94 -0.57 0.00 0.00 1.34 0.00 0.00 72.50 72.33 1cyu s THR 96 CO 0.49 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 1cyu n GLY 97 N 2.08 0.83 0.94 3.99 0.00 -1.26 -4.69 105.19 107.08 1cyu n GLY 97 Ca -0.17 -2.00 0.12 0.00 0.00 0.00 0.00 46.02 43.97 1cyu n GLY 97 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65