#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 -0.74 -2.56 1.12 0.13 -1.26 -5.03 119.36 111.02 1cyu n ILE 2 Ca 0.00 -3.00 -0.43 0.00 -1.10 0.00 0.00 62.75 58.23 1cyu n ILE 2 Cb 0.00 -0.97 -0.02 0.00 -0.84 0.00 0.00 39.64 37.81 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 -0.11 4.35 0.02 9.51 0.04 -1.26 -4.98 135.00 142.56 1cyu s PRO 3 Ca 0.33 1.53 -0.18 0.00 0.04 0.00 0.00 61.00 62.72 1cyu s PRO 3 Cb 0.09 -3.58 -0.06 0.00 0.04 0.00 0.00 34.50 30.99 1cyu s PRO 3 CO -0.15 -0.45 0.53 0.20 0.04 0.00 0.00 177.00 177.17 1cyu s GLY 4 N 1.36 2.59 -1.20 0.56 0.00 -1.26 -3.31 107.32 106.05 1cyu s GLY 4 Ca 0.52 -0.05 -0.20 0.00 0.00 0.00 0.00 44.72 44.99 1cyu s GLY 4 CO 0.18 0.49 0.70 0.61 0.00 0.00 0.00 173.10 175.08 1cyu n GLY 5 N 2.08 -0.82 3.04 0.20 0.00 -1.26 -4.66 105.19 103.77 1cyu n GLY 5 Ca -0.10 0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.34 0.00 0.99 -0.00 -1.26 -3.80 117.00 104.20 1cyu n LEU 6 Ca -0.14 0.10 0.00 0.00 -0.00 0.00 0.00 56.01 55.98 1cyu n LEU 6 Cb 0.60 -0.70 0.00 0.00 -0.00 0.00 0.00 43.42 43.33 1cyu n LEU 6 CO 0.70 -4.40 0.00 -1.20 -0.00 0.00 0.00 177.39 172.49 1cyu n SER 7 N 2.94 0.00 -3.91 1.45 7.64 -1.26 -4.61 113.62 115.88 1cyu n SER 7 Ca -0.01 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.45 1cyu n SER 7 Cb 0.64 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.85 1cyu n SER 7 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1cyu n GLU 8 N 0.00 4.58 -3.66 1.43 1.02 -1.25 -4.93 120.64 117.84 1cyu n GLU 8 Ca 0.00 -4.59 -0.06 0.00 -0.02 0.00 0.00 57.16 52.49 1cyu n GLU 8 Cb 0.00 -2.49 -0.07 0.00 -0.02 0.00 0.00 31.44 28.86 1cyu n GLU 8 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1cyu s ALA 9 N -3.08 -1.66 0.20 0.62 0.00 -1.25 -0.57 121.76 116.01 1cyu s ALA 9 Ca 0.33 2.09 0.07 0.00 0.00 0.00 0.00 51.96 54.45 1cyu s ALA 9 Cb 0.08 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 1cyu s ALA 9 CO 0.06 -0.58 0.07 0.15 0.00 0.00 0.00 175.76 175.46 1cyu s LYS 10 N 2.12 2.62 -0.43 0.00 3.01 -1.18 -4.90 119.74 120.98 1cyu s LYS 10 Ca -0.07 -1.07 -0.28 0.00 -1.01 0.00 0.00 55.97 53.54 1cyu s LYS 10 Cb -0.09 -2.45 -0.01 0.00 -1.01 0.00 0.00 37.83 34.27 1cyu s LYS 10 CO -0.17 0.44 1.65 -1.25 0.51 0.00 0.00 175.35 176.53 1cyu s PRO 11 N -3.23 3.27 0.00 -1.68 0.04 -1.26 -2.40 135.00 129.74 1cyu s PRO 11 Ca 0.30 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.36 1cyu s PRO 11 Cb -0.09 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.28 1cyu s PRO 11 CO 0.21 -1.94 0.00 0.00 0.04 0.00 0.00 177.00 175.31 1cyu n ALA 12 N 10.22 -1.11 -1.45 8.56 0.00 -0.90 -4.87 120.51 130.95 1cyu n ALA 12 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.34 1cyu n ALA 12 Cb 0.48 -0.35 0.18 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.11 1.89 -1.53 0.00 -4.23 -1.26 -4.72 115.64 105.68 1cyu s THR 13 Ca 0.00 0.00 0.25 0.00 -1.18 0.00 0.00 61.69 60.76 1cyu s THR 13 Cb 0.00 -2.70 0.49 0.00 1.34 0.00 0.00 72.50 71.63 1cyu s THR 13 CO 0.00 0.00 1.84 -0.81 -0.54 0.00 0.00 174.62 175.11 1cyu n PRO 14 N -4.09 0.43 -0.06 3.99 -0.04 -1.26 -1.29 135.00 132.69 1cyu n PRO 14 Ca 0.10 0.04 -0.08 0.00 -0.04 0.00 0.00 63.50 63.52 1cyu n PRO 14 Cb 0.59 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 1cyu n PRO 14 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1cyu n GLU 15 N -1.23 0.40 -0.19 0.54 2.13 -1.26 -4.19 120.64 116.83 1cyu n GLU 15 Ca 0.13 0.16 -0.02 0.00 0.66 0.00 0.00 57.16 58.09 1cyu n GLU 15 Cb 0.18 -1.20 0.08 0.00 0.27 0.00 0.00 31.44 30.77 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 -0.74 0.90 -0.06 6.31 1.08 -1.92 0.14 117.51 123.22 1cyu h ILE 16 Ca -0.05 -0.17 0.02 0.00 -0.39 0.00 0.00 64.86 64.26 1cyu h ILE 16 Cb 0.82 0.35 -0.00 0.00 -3.07 0.00 0.00 36.82 34.91 1cyu h ILE 16 CO -0.03 0.09 0.05 0.06 -0.69 0.00 0.00 178.15 177.63 1cyu h GLN 17 N 0.51 0.00 -0.29 2.37 -0.00 -1.45 0.13 115.11 116.38 1cyu h GLN 17 Ca 0.26 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.85 1cyu h GLN 17 Cb 0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.68 1cyu h GLN 17 CO -0.21 0.00 -0.10 1.49 -0.00 0.00 0.00 178.83 180.01 1cyu h GLU 18 N 0.00 0.48 -0.59 0.06 4.81 -0.89 -0.95 114.58 117.51 1cyu h GLU 18 Ca 0.03 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1cyu h GLU 18 Cb 0.13 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1cyu h GLU 18 CO -0.00 0.59 0.34 0.97 -0.73 0.00 0.00 179.01 180.18 1cyu h ILE 19 N 0.45 1.17 0.00 2.32 -0.00 -0.54 0.26 117.51 121.17 1cyu h ILE 19 Ca 0.09 -0.39 -0.04 0.00 -0.00 0.00 0.00 64.86 64.51 1cyu h ILE 19 Cb 0.45 0.36 -0.01 0.00 -0.00 0.00 0.00 36.82 37.62 1cyu h ILE 19 CO 0.02 0.18 -0.20 0.58 -0.00 0.00 0.00 178.15 178.74 1cyu h VAL 20 N 0.81 0.58 -0.02 2.19 2.07 -1.05 -1.35 116.25 119.47 1cyu h VAL 20 Ca 0.21 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1cyu h VAL 20 Cb -0.01 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1cyu h VAL 20 CO -0.04 0.19 -0.26 -0.67 0.02 0.00 0.00 177.57 176.81 1cyu n ASP 21 N -3.48 2.47 -0.02 0.57 -0.08 0.16 -3.31 116.55 112.85 1cyu n ASP 21 Ca -0.01 -1.74 -0.03 0.00 -1.51 0.00 0.00 54.79 51.51 1cyu n ASP 21 Cb 0.37 0.26 -0.01 0.00 2.34 0.00 0.00 41.12 44.08 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 0.60 0.18 0.03 -0.67 3.00 0.67 -4.17 118.16 117.81 1cyu n LYS 22 Ca 0.11 0.07 0.13 0.00 -0.00 0.00 0.00 58.31 58.63 1cyu n LYS 22 Cb 0.53 -0.75 0.39 0.00 0.00 0.00 0.00 35.03 35.20 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 -3.33 0.17 -2.68 3.15 0.31 -0.56 -3.91 118.33 111.48 1cyu n VAL 23 Ca -0.05 -0.10 -0.20 0.00 -0.01 0.00 0.00 64.34 63.98 1cyu n VAL 23 Cb 0.18 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 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 -1.74 2.36 0.00 5.55 5.02 -1.15 -4.85 118.16 123.34 1cyu n LYS 24 Ca 0.06 -4.01 0.08 0.00 -2.02 0.00 0.00 58.31 52.42 1cyu n LYS 24 Cb 0.37 -1.85 0.49 0.00 -0.02 0.00 0.00 35.03 34.02 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 -0.22 0.53 -0.05 1.97 -0.04 -1.21 -1.28 135.00 134.69 1cyu n PRO 25 Ca 0.26 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.63 1cyu n PRO 25 Cb 0.68 -1.49 -0.04 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 -0.99 0.23 0.33 0.54 6.02 -1.26 -4.29 117.38 117.96 1cyu n GLN 26 Ca 0.12 0.08 0.22 0.00 -0.01 0.00 0.00 57.00 57.42 1cyu n GLN 26 Cb 0.06 -1.01 1.19 0.00 1.02 0.00 0.00 30.24 31.50 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 -0.21 0.00 -0.28 1.08 -0.00 -1.81 0.58 115.31 114.67 1cyu h LEU 27 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.64 1cyu h LEU 27 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.93 1cyu h LEU 27 CO -0.11 0.00 -0.51 1.21 -0.00 0.00 0.00 178.44 179.03 1cyu n GLU 28 N -3.05 0.41 -1.40 1.13 0.00 -0.41 -4.21 120.64 113.11 1cyu n GLU 28 Ca -0.03 -0.28 0.03 0.00 0.00 0.00 0.00 57.16 56.88 1cyu n GLU 28 Cb 0.08 -1.49 0.01 0.00 0.00 0.00 0.00 31.44 30.03 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 -1.05 0.00 0.00 5.31 0.28 -0.28 -4.69 120.64 120.21 1cyu n GLU 29 Ca 0.08 -1.85 -0.02 0.00 -0.16 0.00 0.00 57.16 55.21 1cyu n GLU 29 Cb 0.36 0.03 -0.01 0.00 1.43 0.00 0.00 31.44 33.25 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 0.43 0.11 -0.38 3.44 0.00 0.04 -4.52 118.16 117.27 1cyu n LYS 30 Ca 0.02 0.04 0.38 0.00 0.00 0.00 0.00 58.31 58.76 1cyu n LYS 30 Cb 1.08 -0.59 0.75 0.00 0.00 0.00 0.00 35.03 36.27 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 -0.21 0.27 -5.68 3.15 1.03 -1.77 -3.42 112.91 106.27 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 0.21 0.29 -0.23 0.00 -1.07 0.00 0.00 68.15 67.36 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 -4.01 -0.93 -4.66 0.00 6.94 -1.26 -4.81 115.26 106.53 1cyu n ASN 32 Ca 0.29 -0.77 -0.30 0.00 -0.02 0.00 0.00 54.58 53.77 1cyu n ASN 32 Cb 1.42 -0.99 0.17 0.00 -2.36 0.00 0.00 39.78 38.02 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 -4.96 0.85 -0.27 -3.83 2.56 -1.26 -4.86 118.70 106.92 1cyu s GLU 33 Ca 0.46 1.24 -0.00 0.00 0.00 0.00 0.00 54.97 56.66 1cyu s GLU 33 Cb -0.27 -1.73 0.21 0.00 2.00 0.00 0.00 34.13 34.35 1cyu s GLU 33 CO 0.63 -2.64 1.90 -2.37 -0.56 0.00 0.00 175.26 172.22 1cyu n THR 34 N -4.21 2.56 -2.31 -1.70 5.66 -1.26 -4.82 114.28 108.20 1cyu n THR 34 Ca 0.09 -1.41 0.00 0.00 -3.05 0.00 0.00 64.05 59.68 1cyu n THR 34 Cb 0.53 -1.24 0.00 0.00 -1.55 0.00 0.00 70.33 68.07 1cyu n THR 34 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1cyu n TYR 35 N 0.32 0.00 -3.36 1.09 4.01 -1.26 -5.07 117.16 112.89 1cyu n TYR 35 Ca 0.27 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.68 1cyu n TYR 35 Cb 0.66 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.63 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 4.77 1.40 2.72 0.00 -1.26 -4.69 105.19 108.13 1cyu n GLY 36 Ca 0.00 -2.71 0.03 0.00 0.00 0.00 0.00 46.02 43.35 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 1.28 0.60 -2.93 1.61 5.02 -1.26 -4.87 118.16 117.61 1cyu n LYS 37 Ca 0.27 -2.48 -0.31 0.00 -2.02 0.00 0.00 58.31 53.77 1cyu n LYS 37 Cb 0.38 -0.56 -0.03 0.00 -0.02 0.00 0.00 35.03 34.79 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 0.00 5.19 0.00 -0.35 7.99 -1.26 0.37 117.00 128.94 1cyu n LEU 38 Ca 0.10 -5.57 0.00 0.00 -0.01 0.00 0.00 56.01 50.54 1cyu n LEU 38 Cb 1.01 -0.75 0.00 0.00 -0.11 0.00 0.00 43.42 43.57 1cyu n LEU 38 CO -0.02 2.22 0.00 1.21 -1.51 0.00 0.00 177.39 179.29 1cyu n GLU 39 N 0.01 0.00 -2.33 3.23 4.07 -1.11 -4.82 120.64 119.69 1cyu n GLU 39 Ca 0.34 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 57.11 1cyu n GLU 39 Cb 0.36 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.72 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 2.85 -0.21 4.31 0.00 -1.26 -0.23 121.76 126.22 1cyu s ALA 40 Ca 0.00 0.45 -0.07 0.00 0.00 0.00 0.00 51.96 52.34 1cyu s ALA 40 Cb 0.00 -3.22 -0.19 0.00 0.00 0.00 0.00 23.12 19.71 1cyu s ALA 40 CO 0.00 -0.48 0.00 1.55 0.00 0.00 0.00 175.76 176.83 1cyu n VAL 41 N -1.47 1.60 0.00 0.00 3.14 -0.06 -3.84 118.33 117.70 1cyu n VAL 41 Ca 0.09 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.97 1cyu n VAL 41 Cb 0.53 -1.68 0.00 0.00 -1.06 0.00 0.00 33.84 31.62 1cyu n VAL 41 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1cyu n GLN 42 N -3.66 0.00 -3.62 1.45 -0.00 -0.35 -2.13 117.38 109.08 1cyu n GLN 42 Ca -0.41 0.00 -0.39 0.00 -0.00 0.00 0.00 57.00 56.20 1cyu n GLN 42 Cb 0.95 0.00 -0.11 0.00 -0.00 0.00 0.00 30.24 31.08 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 -0.33 3.19 0.59 2.61 1.13 -1.01 -0.94 117.35 122.59 1cyu s TYR 43 Ca 0.00 -0.29 -0.03 0.00 -1.41 0.00 0.00 57.07 55.33 1cyu s TYR 43 Cb 0.00 -2.37 0.03 0.00 -1.10 0.00 0.00 41.96 38.52 1cyu s TYR 43 CO 0.00 -0.35 0.86 0.21 -2.51 0.00 0.00 175.55 173.77 1cyu s LYS 44 N 1.68 2.60 -0.15 -3.49 2.47 -0.07 -3.08 119.74 119.70 1cyu s LYS 44 Ca 0.06 -0.39 -0.08 0.00 -1.56 0.00 0.00 55.97 54.01 1cyu s LYS 44 Cb -0.17 -2.35 0.06 0.00 -1.46 0.00 0.00 37.83 33.91 1cyu s LYS 44 CO 0.08 -0.81 0.35 0.95 0.16 0.00 0.00 175.35 176.08 1cyu s THR 45 N -2.94 -0.06 0.34 3.43 -4.23 0.26 -2.55 115.64 109.90 1cyu s THR 45 Ca 0.56 0.12 -0.13 0.00 -1.18 0.00 0.00 61.69 61.06 1cyu s THR 45 Cb -0.10 -0.53 0.03 0.00 1.34 0.00 0.00 72.50 73.23 1cyu s THR 45 CO 0.42 0.05 0.66 0.00 -0.54 0.00 0.00 174.62 175.21 1cyu s GLN 46 N 1.42 1.99 0.00 3.99 -2.07 -0.79 -4.70 119.66 119.50 1cyu s GLN 46 Ca -0.09 -1.41 0.00 0.00 -1.82 0.00 0.00 55.36 52.04 1cyu s GLN 46 Cb -0.09 0.56 0.00 0.00 -1.09 0.00 0.00 33.01 32.39 1cyu s GLN 46 CO -0.11 -0.89 0.00 0.28 -1.32 0.00 0.00 175.29 173.25 1cyu n VAL 47 N -0.50 0.00 0.00 3.63 0.31 -1.26 0.00 118.33 120.51 1cyu n VAL 47 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1cyu n VAL 47 Cb 0.60 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 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 -3.18 118.33 119.55 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 -4.91 120.51 115.89 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 -1.23 0.20 105.19 104.66 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 -2.53 2.61 -1.04 -1.26 -4.46 114.28 107.59 1cyu n THR 51 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.73 1cyu n THR 51 Cb 0.00 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 6.28 -0.04 8.00 3.04 0.10 -2.68 114.94 129.63 1cyu s ASN 52 Ca 0.00 1.02 -0.02 0.00 0.04 0.00 0.00 52.86 53.90 1cyu s ASN 52 Cb 0.00 -2.29 0.03 0.00 -1.54 0.00 0.00 41.25 37.45 1cyu s ASN 52 CO 0.00 -0.61 0.10 -0.31 -3.04 0.00 0.00 177.10 173.24 1cyu s TYR 53 N -2.78 -0.09 -0.75 0.43 2.02 0.17 -1.88 117.35 114.46 1cyu s TYR 53 Ca 0.49 0.31 -0.03 0.00 -0.37 0.00 0.00 57.07 57.47 1cyu s TYR 53 Cb -0.10 -0.09 0.19 0.00 -0.40 0.00 0.00 41.96 41.56 1cyu s TYR 53 CO 0.45 -0.11 0.60 -0.47 -1.57 0.00 0.00 175.55 174.45 1cyu s TYR 54 N 0.79 3.62 -1.04 2.71 5.04 -1.06 -0.69 117.35 126.73 1cyu s TYR 54 Ca -0.06 -2.83 -0.18 0.00 -2.44 0.00 0.00 57.07 51.56 1cyu s TYR 54 Cb -0.08 -3.23 0.12 0.00 0.35 0.00 0.00 41.96 39.11 1cyu s TYR 54 CO -0.03 -0.80 1.30 0.42 -1.34 0.00 0.00 175.55 175.10 1cyu s ILE 55 N -0.64 4.62 -0.54 3.14 1.09 0.21 -0.89 121.20 128.20 1cyu s ILE 55 Ca 0.22 -1.72 -0.28 0.00 -1.10 0.00 0.00 60.65 57.77 1cyu s ILE 55 Cb -0.14 -4.89 0.01 0.00 -1.06 0.00 0.00 42.46 36.38 1cyu s ILE 55 CO -0.08 -1.65 1.46 -0.75 -0.10 0.00 0.00 174.94 173.83 1cyu s LYS 56 N 2.93 3.29 0.26 2.79 2.20 -0.11 -0.16 119.74 130.94 1cyu s LYS 56 Ca 0.39 0.56 -0.25 0.00 -0.36 0.00 0.00 55.97 56.31 1cyu s LYS 56 Cb -0.03 -4.13 -0.09 0.00 -1.51 0.00 0.00 37.83 32.07 1cyu s LYS 56 CO -0.06 -1.94 0.86 0.54 -0.36 0.00 0.00 175.35 174.39 1cyu s VAL 57 N 6.22 4.31 0.01 4.02 0.11 -0.80 -0.88 120.40 133.39 1cyu s VAL 57 Ca 0.56 1.71 -0.18 0.00 -2.93 0.00 0.00 61.98 61.13 1cyu s VAL 57 Cb -0.12 -4.04 -0.06 0.00 -1.53 0.00 0.00 36.38 30.64 1cyu s VAL 57 CO 0.26 0.27 0.52 -0.60 -3.33 0.00 0.00 175.10 172.22 1cyu s ARG 58 N -1.76 4.18 -0.10 1.54 3.52 0.67 -1.16 118.95 125.83 1cyu s ARG 58 Ca 0.45 0.61 0.16 0.00 -0.13 0.00 0.00 55.73 56.82 1cyu s ARG 58 Cb -0.20 -3.29 0.35 0.00 -1.56 0.00 0.00 34.95 30.26 1cyu s ARG 58 CO 0.25 0.52 1.17 0.00 -0.81 0.00 0.00 175.30 176.42 1cyu n ALA 59 N 2.26 2.84 0.00 6.12 0.00 -1.12 -2.73 120.51 127.88 1cyu n ALA 59 Ca -0.10 -2.62 0.00 0.00 0.00 0.00 0.00 53.44 50.72 1cyu n ALA 59 Cb 0.51 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.51 -0.06 0.10 0.00 0.00 1.20 -3.72 105.19 102.19 1cyu n GLY 60 Ca 0.12 -1.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.05 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 0.24 -0.05 1.61 -0.08 -1.26 -4.50 116.55 112.50 1cyu n ASP 61 Ca 0.00 -0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.25 1cyu n ASP 61 Cb 0.00 0.93 -0.15 0.00 2.34 0.00 0.00 41.12 44.24 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 -2.74 0.16 -4.79 1.67 0.23 -1.26 -4.93 115.26 103.60 1cyu n ASN 62 Ca -0.32 0.07 -0.30 0.00 -0.53 0.00 0.00 54.58 53.50 1cyu n ASN 62 Cb 1.13 1.10 -0.06 0.00 -2.08 0.00 0.00 39.78 39.87 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 -2.84 2.91 -0.28 -3.83 1.02 -1.24 -0.99 119.74 114.50 1cyu s LYS 63 Ca -0.08 -0.70 -0.21 0.00 0.02 0.00 0.00 55.97 54.99 1cyu s LYS 63 Cb 0.09 -2.73 0.10 0.00 -0.52 0.00 0.00 37.83 34.76 1cyu s LYS 63 CO 0.85 0.56 0.82 0.71 -0.92 0.00 0.00 175.35 177.37 1cyu s TYR 64 N -1.45 -0.76 0.31 3.18 1.51 -1.26 -2.77 117.35 116.11 1cyu s TYR 64 Ca 0.30 1.69 0.01 0.00 -1.01 0.00 0.00 57.07 58.06 1cyu s TYR 64 Cb -0.12 0.41 0.01 0.00 -0.11 0.00 0.00 41.96 42.14 1cyu s TYR 64 CO 0.22 -0.37 0.06 1.28 -1.11 0.00 0.00 175.55 175.63 1cyu n LEU 65 N 3.19 0.00 -3.54 -1.29 4.32 -0.31 -3.88 117.00 115.50 1cyu n LEU 65 Ca -0.16 -1.88 -0.12 0.00 -0.02 0.00 0.00 56.01 53.83 1cyu n LEU 65 Cb 0.57 0.16 -0.04 0.00 -1.62 0.00 0.00 43.42 42.48 1cyu n LEU 65 CO 0.01 -0.32 0.67 -2.28 -1.22 0.00 0.00 177.39 174.25 1cyu s HIS 66 N -1.99 -0.43 0.14 -1.77 2.46 -1.19 -1.89 115.29 110.62 1cyu s HIS 66 Ca 0.05 0.61 -0.16 0.00 0.47 0.00 0.00 55.06 56.03 1cyu s HIS 66 Cb -0.00 0.47 0.03 0.00 -0.13 0.00 0.00 32.58 32.95 1cyu s HIS 66 CO 0.03 -0.47 0.41 -1.17 -2.47 0.00 0.00 174.74 171.07 1cyu s LEU 67 N -1.56 0.39 -0.31 8.88 2.96 0.78 0.98 118.68 130.80 1cyu s LEU 67 Ca -0.02 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 53.50 1cyu s LEU 67 Cb -0.01 1.84 0.10 0.00 0.50 0.00 0.00 46.19 48.63 1cyu s LEU 67 CO -0.00 -0.89 0.10 -0.75 -1.32 0.00 0.00 176.35 173.49 1cyu s LYS 68 N -3.83 0.68 0.01 1.98 2.36 -1.18 0.67 119.74 120.43 1cyu s LYS 68 Ca 0.05 -1.04 -0.29 0.00 -2.55 0.00 0.00 55.97 52.14 1cyu s LYS 68 Cb 0.01 -1.94 -0.04 0.00 -1.05 0.00 0.00 37.83 34.82 1cyu s LYS 68 CO -0.10 -0.99 0.92 0.08 1.55 0.00 0.00 175.35 176.81 1cyu s VAL 69 N 1.64 4.83 -0.08 4.02 1.01 0.14 -3.29 120.40 128.67 1cyu s VAL 69 Ca 0.10 1.93 -0.01 0.00 0.00 0.00 0.00 61.98 64.01 1cyu s VAL 69 Cb -0.17 -4.26 0.03 0.00 0.00 0.00 0.00 36.38 31.97 1cyu s VAL 69 CO -0.26 0.21 -0.03 0.12 0.00 0.00 0.00 175.10 175.14 1cyu s PHE 70 N 0.74 0.98 -1.29 5.22 5.36 0.34 0.41 117.98 129.75 1cyu s PHE 70 Ca 0.48 -0.38 -0.06 0.00 -0.96 0.00 0.00 56.93 56.01 1cyu s PHE 70 Cb -0.21 -0.94 0.15 0.00 -0.34 0.00 0.00 43.02 41.68 1cyu s PHE 70 CO 0.26 -0.37 2.17 1.63 -1.46 0.00 0.00 175.22 177.45 1cyu n LYS 71 N 4.89 4.34 -1.20 10.12 5.02 -1.09 -0.29 118.16 139.95 1cyu n LYS 71 Ca -0.12 -3.59 -0.51 0.00 -2.02 0.00 0.00 58.31 52.07 1cyu n LYS 71 Cb 0.50 -2.71 -0.09 0.00 -0.02 0.00 0.00 35.03 32.71 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 2.27 0.78 -2.74 4.39 7.64 -1.26 -4.34 113.62 120.36 1cyu n SER 72 Ca 0.53 0.74 -0.09 0.00 1.01 0.00 0.00 58.87 61.07 1cyu n SER 72 Cb 0.29 -0.72 0.09 0.00 -1.01 0.00 0.00 64.21 62.86 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 4.72 -2.11 -1.80 -3.43 0.00 -0.85 -3.98 117.00 109.55 1cyu n LEU 73 Ca 0.35 -3.69 -0.08 0.00 0.00 0.00 0.00 56.01 52.60 1cyu n LEU 73 Cb -0.04 0.71 -0.08 0.00 0.00 0.00 0.00 43.42 44.01 1cyu n LEU 73 CO 0.72 2.04 1.33 -0.81 0.00 0.00 0.00 177.39 180.66 1cyu n PRO 74 N 0.12 1.58 0.00 1.96 -0.04 0.55 -3.56 135.00 135.61 1cyu n PRO 74 Ca 0.04 -0.67 0.00 0.00 -0.04 0.00 0.00 63.50 62.84 1cyu n PRO 74 Cb 0.74 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 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 1.87 3.22 0.07 0.55 0.00 -1.26 -4.75 105.19 104.89 1cyu n GLY 75 Ca 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.98 0.67 -3.48 1.61 7.27 -1.26 -5.02 117.38 115.18 1cyu n GLN 76 Ca 0.00 -0.02 -0.22 0.00 0.07 0.00 0.00 57.00 56.83 1cyu n GLN 76 Cb 0.00 -1.58 0.01 0.00 2.41 0.00 0.00 30.24 31.08 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 -2.63 -5.93 -3.46 1.69 4.05 -1.26 -4.91 115.26 102.81 1cyu n ASN 77 Ca -0.19 -0.42 -0.28 0.00 0.45 0.00 0.00 54.58 54.14 1cyu n ASN 77 Cb 0.91 -2.78 -0.07 0.00 1.23 0.00 0.00 39.78 39.07 1cyu n ASN 77 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 1cyu n GLU 78 N -1.57 2.66 -0.79 1.20 0.00 -1.26 -5.03 120.64 115.85 1cyu n GLU 78 Ca -0.15 -4.67 0.10 0.00 0.00 0.00 0.00 57.16 52.44 1cyu n GLU 78 Cb 0.63 -2.28 -0.04 0.00 0.00 0.00 0.00 31.44 29.76 1cyu n GLU 78 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1cyu n ASP 79 N 0.88 -4.77 -1.71 4.31 2.03 -1.26 -4.95 116.55 111.08 1cyu n ASP 79 Ca 0.30 0.54 0.00 0.00 0.52 0.00 0.00 54.79 56.15 1cyu n ASP 79 Cb 0.40 -2.55 0.00 0.00 -0.72 0.00 0.00 41.12 38.25 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 -3.43 0.00 0.00 -2.67 -0.00 -1.26 -4.03 117.00 105.61 1cyu n LEU 80 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 1cyu n LEU 80 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.79 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 -3.30 1.47 0.31 0.60 -4.50 118.33 112.91 1cyu n VAL 81 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.07 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 -0.22 0.00 7.52 4.32 -1.26 -0.50 117.00 126.86 1cyu n LEU 82 Ca 0.00 -4.51 0.00 0.00 -0.02 0.00 0.00 56.01 51.48 1cyu n LEU 82 Cb 0.00 0.59 0.00 0.00 -1.62 0.00 0.00 43.42 42.39 1cyu n LEU 82 CO 0.00 1.95 0.49 0.41 -1.22 0.00 0.00 177.39 179.02 1cyu n THR 83 N 2.23 1.76 -4.11 -5.08 -1.04 -1.24 -4.51 114.28 102.30 1cyu n THR 83 Ca 0.26 0.48 -0.30 0.00 -2.04 0.00 0.00 64.05 62.45 1cyu n THR 83 Cb 0.50 -1.48 -0.07 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 -2.88 1.92 0.00 3.41 0.00 -1.21 -4.80 107.32 103.76 1cyu s GLY 84 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.61 1cyu s GLY 84 CO 0.00 -1.10 0.00 1.58 0.00 0.00 0.00 173.10 173.58 1cyu n TYR 85 N 0.44 0.00 -3.51 1.90 0.18 -1.15 -3.13 117.16 111.89 1cyu n TYR 85 Ca -0.10 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.53 1cyu n TYR 85 Cb 0.52 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.43 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 0.27 -4.87 119.66 111.18 1cyu s GLN 86 Ca 0.00 -0.06 0.00 0.00 -1.95 0.00 0.00 55.36 53.35 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 -0.40 0.00 1.55 -0.25 0.00 0.00 175.29 176.19 1cyu n VAL 87 N 0.44 0.00 -1.26 1.09 3.14 -1.26 -3.14 118.33 117.35 1cyu n VAL 87 Ca -0.18 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 1cyu n VAL 87 Cb 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.38 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 -0.65 6.55 5.75 -1.25 -3.09 116.55 123.86 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 -3.70 0.11 4.81 -1.26 -4.04 118.16 114.08 1cyu n LYS 89 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.18 1cyu n LYS 89 Cb 0.00 -1.45 -0.04 0.00 0.02 0.00 0.00 35.03 33.55 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 -0.65 -1.71 -0.07 3.14 6.94 -0.16 -4.74 115.26 118.01 1cyu n ASN 90 Ca 0.00 -0.54 -0.15 0.00 -0.02 0.00 0.00 54.58 53.87 1cyu n ASN 90 Cb 0.31 -1.52 -0.05 0.00 -2.36 0.00 0.00 39.78 36.15 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 -3.47 0.38 0.00 -3.83 5.02 -1.26 -4.39 118.16 110.61 1cyu n LYS 91 Ca 0.06 0.16 0.07 0.00 -2.02 0.00 0.00 58.31 56.58 1cyu n LYS 91 Cb 0.48 -1.14 0.37 0.00 -0.02 0.00 0.00 35.03 34.71 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 -3.94 0.00 -4.37 4.39 -0.08 -1.26 -4.82 116.55 106.47 1cyu n ASP 92 Ca -0.27 -0.06 -0.39 0.00 -1.51 0.00 0.00 54.79 52.56 1cyu n ASP 92 Cb 0.61 -0.21 0.02 0.00 2.34 0.00 0.00 41.12 43.88 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 -1.21 -2.19 -3.25 1.67 2.03 -1.26 -4.92 116.55 107.43 1cyu n ASP 93 Ca 0.08 0.73 0.03 0.00 0.52 0.00 0.00 54.79 56.15 1cyu n ASP 93 Cb 0.09 -1.02 -0.04 0.00 -0.72 0.00 0.00 41.12 39.43 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 -1.53 0.09 -0.40 -0.67 2.02 -1.26 -5.10 118.70 111.84 1cyu s GLU 94 Ca 0.63 0.22 -0.28 0.00 0.02 0.00 0.00 54.97 55.56 1cyu s GLU 94 Cb -0.49 0.13 -0.01 0.00 0.10 0.00 0.00 34.13 33.86 1cyu s GLU 94 CO 0.60 -0.03 1.64 -0.51 0.02 0.00 0.00 175.26 176.98 1cyu s LEU 95 N 2.09 3.51 0.00 1.80 1.43 -1.26 -4.96 118.68 121.29 1cyu s LEU 95 Ca -0.00 0.98 0.00 0.00 -1.03 0.00 0.00 54.13 54.08 1cyu s LEU 95 Cb -0.02 -3.40 -0.00 0.00 0.03 0.00 0.00 46.19 42.80 1cyu s LEU 95 CO -0.16 -1.68 -0.02 0.42 0.23 0.00 0.00 176.35 175.14 1cyu s THR 96 N 6.53 0.14 0.00 5.49 -4.23 -1.26 -5.12 115.64 117.18 1cyu s THR 96 Ca 0.70 -0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.99 1cyu s THR 96 Cb -0.18 -0.15 0.00 0.00 1.34 0.00 0.00 72.50 73.51 1cyu s THR 96 CO 0.32 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.95 1cyu n GLY 97 N 2.78 3.19 0.00 3.99 0.00 -1.21 -4.43 105.19 109.51 1cyu n GLY 97 Ca -0.14 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1cyu n GLY 97 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65