#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 0.18 -2.58 1.12 3.06 -1.26 -5.09 119.36 114.79 1cyu n ILE 2 Ca 0.00 -4.60 -0.42 0.00 -2.50 0.00 0.00 62.75 55.23 1cyu n ILE 2 Cb 0.00 -0.84 -0.03 0.00 0.54 0.00 0.00 39.64 39.31 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 -2.27 4.38 -1.22 9.51 0.04 -1.26 -4.85 135.00 139.34 1cyu s PRO 3 Ca 0.40 1.52 -0.12 0.00 0.04 0.00 0.00 61.00 62.84 1cyu s PRO 3 Cb 0.29 -3.56 0.19 0.00 0.04 0.00 0.00 34.50 31.46 1cyu s PRO 3 CO -0.09 -0.40 1.52 0.41 0.04 0.00 0.00 177.00 178.48 1cyu n GLY 4 N 3.23 3.87 3.84 0.56 0.00 -1.26 -4.56 105.19 110.87 1cyu n GLY 4 Ca 0.10 -2.11 -0.30 0.00 0.00 0.00 0.00 46.02 43.71 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 3.53 -0.62 0.00 -0.02 0.00 -1.26 -4.71 105.19 102.11 1cyu n GLY 5 Ca 0.36 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.68 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 -4.36 0.00 0.00 0.99 7.94 -1.26 -4.21 117.00 116.10 1cyu n LEU 6 Ca -0.20 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.70 1cyu n LEU 6 Cb 0.63 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.58 1cyu n LEU 6 CO 0.71 -0.04 0.00 -1.20 -1.11 0.00 0.00 177.39 175.76 1cyu n SER 7 N -0.23 0.00 -4.43 1.96 7.64 -1.26 -3.60 113.62 113.69 1cyu n SER 7 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 1cyu n SER 7 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 3.23 0.00 1.43 1.02 -1.26 -4.86 120.64 120.21 1cyu n GLU 8 Ca 0.00 -3.39 0.00 0.00 -0.02 0.00 0.00 57.16 53.75 1cyu n GLU 8 Cb 0.00 -3.32 0.00 0.00 -0.02 0.00 0.00 31.44 28.10 1cyu n GLU 8 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1cyu n ALA 9 N 7.19 0.00 -2.54 0.62 0.00 -1.24 -1.51 120.51 123.03 1cyu n ALA 9 Ca 0.45 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.64 1cyu n ALA 9 Cb 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.79 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 -1.97 1.91 -0.54 0.00 3.01 -1.14 -4.90 119.74 116.11 1cyu s LYS 10 Ca 0.00 -1.88 -0.28 0.00 -1.01 0.00 0.00 55.97 52.80 1cyu s LYS 10 Cb 0.00 -1.78 0.02 0.00 -1.01 0.00 0.00 37.83 35.06 1cyu s LYS 10 CO 0.00 0.13 1.25 -1.25 0.51 0.00 0.00 175.35 175.99 1cyu s PRO 11 N -3.65 3.52 0.00 -1.68 0.04 -1.26 -2.35 135.00 129.61 1cyu s PRO 11 Ca 0.33 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.80 1cyu s PRO 11 Cb 0.02 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.54 1cyu s PRO 11 CO 0.18 -1.67 0.00 0.00 0.04 0.00 0.00 177.00 175.55 1cyu n ALA 12 N 8.61 -1.00 -1.92 8.56 0.00 -0.26 -4.83 120.51 129.69 1cyu n ALA 12 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.26 1cyu n ALA 12 Cb 0.49 -0.24 0.12 0.00 0.00 0.00 0.00 19.45 19.82 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 0.00 2.04 -1.28 0.00 -4.23 -1.26 -4.80 115.64 106.11 1cyu s THR 13 Ca 0.00 -0.05 0.21 0.00 -1.18 0.00 0.00 61.69 60.67 1cyu s THR 13 Cb 0.00 -2.99 0.30 0.00 1.34 0.00 0.00 72.50 71.15 1cyu s THR 13 CO 0.00 0.00 1.67 -0.81 -0.54 0.00 0.00 174.62 174.94 1cyu n PRO 14 N -3.40 0.20 -0.06 3.99 -0.04 -1.26 -1.38 135.00 133.05 1cyu n PRO 14 Ca 0.10 0.11 -0.05 0.00 -0.04 0.00 0.00 63.50 63.62 1cyu n PRO 14 Cb 0.60 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.55 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 0.33 -0.22 0.54 2.13 -1.26 -3.78 120.64 117.02 1cyu n GLU 15 Ca 0.08 0.20 0.01 0.00 0.66 0.00 0.00 57.16 58.11 1cyu n GLU 15 Cb 0.19 -1.16 0.13 0.00 0.27 0.00 0.00 31.44 30.87 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 -0.64 0.74 -0.12 6.31 1.08 -1.93 0.28 117.51 123.22 1cyu h ILE 16 Ca 0.00 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 64.32 1cyu h ILE 16 Cb 0.58 0.28 -0.01 0.00 -3.07 0.00 0.00 36.82 34.60 1cyu h ILE 16 CO 0.00 0.08 0.03 0.06 -0.69 0.00 0.00 178.15 177.62 1cyu h GLN 17 N 0.42 0.17 0.00 2.37 3.07 -1.46 0.59 115.11 120.27 1cyu h GLN 17 Ca 0.33 -0.02 -0.04 0.00 0.09 0.00 0.00 58.65 59.02 1cyu h GLN 17 Cb 0.44 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.96 1cyu h GLN 17 CO -0.34 0.17 -0.20 1.49 0.09 0.00 0.00 178.83 180.05 1cyu h GLU 18 N 0.17 0.00 -0.34 0.06 4.81 -0.55 -0.83 114.58 117.90 1cyu h GLU 18 Ca 0.04 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 1cyu h GLU 18 Cb 0.08 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1cyu h GLU 18 CO -0.00 0.20 -0.17 0.97 -0.73 0.00 0.00 179.01 179.27 1cyu h ILE 19 N 0.00 1.25 0.00 2.32 -0.00 -0.47 -0.52 117.51 120.10 1cyu h ILE 19 Ca -0.00 -1.18 0.00 0.00 -0.00 0.00 0.00 64.86 63.68 1cyu h ILE 19 Cb 0.35 1.18 0.00 0.00 -0.00 0.00 0.00 36.82 38.35 1cyu h ILE 19 CO 0.03 0.39 0.00 0.52 -0.00 0.00 0.00 178.15 179.08 1cyu n VAL 20 N -4.15 1.03 0.24 2.19 0.31 -0.33 -1.32 118.33 116.30 1cyu n VAL 20 Ca 0.00 0.45 0.10 0.00 -0.01 0.00 0.00 64.34 64.88 1cyu n VAL 20 Cb 0.37 -1.39 -0.14 0.00 -0.91 0.00 0.00 33.84 31.77 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 -2.11 0.55 0.00 4.52 -0.08 -0.28 -3.44 116.55 115.70 1cyu n ASP 21 Ca 0.01 -0.26 0.00 0.00 -1.51 0.00 0.00 54.79 53.03 1cyu n ASP 21 Cb 0.13 1.67 0.00 0.00 2.34 0.00 0.00 41.12 45.26 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 -2.00 0.00 0.00 -0.67 3.00 -0.43 -3.66 118.16 114.40 1cyu n LYS 22 Ca -0.02 0.25 0.14 0.00 -0.00 0.00 0.00 58.31 58.68 1cyu n LYS 22 Cb 0.46 -0.72 0.63 0.00 0.00 0.00 0.00 35.03 35.40 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 -2.01 0.00 -2.63 3.15 0.31 -0.95 -3.85 118.33 112.36 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 -0.22 0.01 0.00 -0.91 0.00 0.00 33.84 32.72 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 -1.12 2.35 0.00 5.55 4.01 -1.21 -4.85 118.16 122.88 1cyu n LYS 24 Ca 0.13 -3.96 0.03 0.00 -0.51 0.00 0.00 58.31 54.00 1cyu n LYS 24 Cb 0.28 -1.81 0.19 0.00 -0.51 0.00 0.00 35.03 33.17 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 -0.25 0.64 0.00 1.97 -0.04 -1.23 -1.53 135.00 134.56 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 0.70 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 33.01 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 -0.65 0.00 0.14 0.54 6.02 -1.26 -4.51 117.38 117.65 1cyu n GLN 26 Ca 0.05 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.14 1cyu n GLN 26 Cb 0.02 -0.47 0.52 0.00 1.02 0.00 0.00 30.24 31.33 1cyu n GLN 26 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1cyu n LEU 27 N -2.81 0.51 0.04 1.08 4.77 -1.18 -0.35 117.00 119.06 1cyu n LEU 27 Ca 0.00 0.73 0.11 0.00 -0.03 0.00 0.00 56.01 56.82 1cyu n LEU 27 Cb 0.40 -0.78 0.01 0.00 -2.33 0.00 0.00 43.42 40.72 1cyu n LEU 27 CO 0.00 -0.87 -0.05 1.21 -1.33 0.00 0.00 177.39 176.35 1cyu n GLU 28 N -2.17 0.40 -1.11 3.23 0.00 -0.59 -4.28 120.64 116.12 1cyu n GLU 28 Ca -0.01 0.01 0.03 0.00 0.00 0.00 0.00 57.16 57.20 1cyu n GLU 28 Cb 0.05 -1.64 0.04 0.00 0.00 0.00 0.00 31.44 29.88 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 -2.16 0.22 -0.06 5.31 0.28 -0.23 -4.60 120.64 119.39 1cyu n GLU 29 Ca 0.01 -1.92 -0.07 0.00 -0.16 0.00 0.00 57.16 55.02 1cyu n GLU 29 Cb 0.48 -0.35 -0.02 0.00 1.43 0.00 0.00 31.44 32.97 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 0.13 0.42 -0.49 3.44 4.81 0.53 -4.33 118.16 122.67 1cyu n LYS 30 Ca 0.06 0.17 0.43 0.00 -0.87 0.00 0.00 58.31 58.10 1cyu n LYS 30 Cb 0.97 -1.24 0.78 0.00 0.02 0.00 0.00 35.03 35.57 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 -0.79 0.22 -6.88 3.15 1.03 -1.78 -3.43 112.91 104.44 1cyu h THR 31 Ca 0.00 0.00 -0.57 0.00 -0.01 0.00 0.00 66.41 65.83 1cyu h THR 31 Cb 0.79 0.23 -0.30 0.00 -1.07 0.00 0.00 68.15 67.80 1cyu h THR 31 CO 0.00 0.00 -0.85 -0.46 -0.01 0.00 0.00 175.52 174.20 1cyu n ASN 32 N -4.05 -0.74 -4.81 0.00 0.23 -1.26 -4.86 115.26 99.77 1cyu n ASN 32 Ca 0.34 -1.15 -0.31 0.00 -0.53 0.00 0.00 54.58 52.93 1cyu n ASN 32 Cb 1.59 -1.46 0.06 0.00 -2.08 0.00 0.00 39.78 37.90 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 -6.83 2.66 -0.42 -3.83 0.41 -1.26 -4.92 118.70 104.50 1cyu s GLU 33 Ca 0.49 0.92 -0.01 0.00 -0.41 0.00 0.00 54.97 55.96 1cyu s GLU 33 Cb -0.28 -1.96 0.32 0.00 -1.78 0.00 0.00 34.13 30.42 1cyu s GLU 33 CO 0.93 -1.29 1.96 -2.37 -0.49 0.00 0.00 175.26 174.01 1cyu n THR 34 N -3.25 2.98 -2.42 3.63 5.66 -1.26 -4.86 114.28 114.76 1cyu n THR 34 Ca 0.08 -1.97 0.00 0.00 -3.05 0.00 0.00 64.05 59.11 1cyu n THR 34 Cb 0.54 -1.19 0.00 0.00 -1.55 0.00 0.00 70.33 68.13 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 -0.16 0.00 -3.32 1.09 4.01 -1.26 -5.07 117.16 112.45 1cyu n TYR 35 Ca 0.41 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.84 1cyu n TYR 35 Cb 0.70 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.68 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 4.90 1.63 2.72 0.00 -1.26 -4.69 105.19 108.49 1cyu n GLY 36 Ca 0.00 -2.74 0.03 0.00 0.00 0.00 0.00 46.02 43.31 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 1.01 0.46 -2.76 1.61 4.01 -1.26 -4.88 118.16 116.34 1cyu n LYS 37 Ca 0.29 -2.37 -0.32 0.00 -0.51 0.00 0.00 58.31 55.39 1cyu n LYS 37 Cb 0.39 -0.42 -0.01 0.00 -0.51 0.00 0.00 35.03 34.48 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 0.18 5.60 0.00 -0.35 7.99 -1.26 0.41 117.00 129.56 1cyu n LEU 38 Ca 0.08 -5.52 0.00 0.00 -0.01 0.00 0.00 56.01 50.56 1cyu n LEU 38 Cb 1.06 -0.78 0.00 0.00 -0.11 0.00 0.00 43.42 43.59 1cyu n LEU 38 CO -0.02 2.22 0.00 1.21 -1.51 0.00 0.00 177.39 179.30 1cyu n GLU 39 N -0.22 0.00 -1.72 3.23 2.13 -1.08 -4.82 120.64 118.16 1cyu n GLU 39 Ca 0.38 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.88 1cyu n GLU 39 Cb 0.36 0.00 0.04 0.00 0.27 0.00 0.00 31.44 32.11 1cyu n GLU 39 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1cyu s ALA 40 N -1.00 2.56 -0.22 4.31 0.00 -1.26 -0.25 121.76 125.89 1cyu s ALA 40 Ca 0.00 0.35 0.08 0.00 0.00 0.00 0.00 51.96 52.39 1cyu s ALA 40 Cb 0.00 -3.25 -0.19 0.00 0.00 0.00 0.00 23.12 19.68 1cyu s ALA 40 CO 0.00 -1.21 -0.10 1.55 0.00 0.00 0.00 175.76 176.00 1cyu n VAL 41 N -2.64 1.37 0.00 0.00 3.14 -0.03 -3.97 118.33 116.19 1cyu n VAL 41 Ca 0.09 -0.65 0.00 0.00 -2.96 0.00 0.00 64.34 60.82 1cyu n VAL 41 Cb 0.53 -1.01 0.00 0.00 -1.06 0.00 0.00 33.84 32.30 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 -3.01 0.00 -3.63 1.45 0.00 -0.31 -1.10 117.38 110.79 1cyu n GLN 42 Ca -0.38 0.00 -0.17 0.00 -0.00 0.00 0.00 57.00 56.45 1cyu n GLN 42 Cb 1.03 0.00 -0.14 0.00 0.00 0.00 0.00 30.24 31.12 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 -0.25 0.35 3.69 1.13 -0.99 -1.22 117.35 118.06 1cyu s TYR 43 Ca 0.00 0.58 0.02 0.00 -1.41 0.00 0.00 57.07 56.27 1cyu s TYR 43 Cb 0.00 -0.24 -0.02 0.00 -1.10 0.00 0.00 41.96 40.60 1cyu s TYR 43 CO 0.00 -0.37 0.53 0.21 -2.51 0.00 0.00 175.55 173.41 1cyu s LYS 44 N 2.33 3.32 0.03 -3.49 2.20 -0.48 -2.89 119.74 120.77 1cyu s LYS 44 Ca 0.03 -0.56 0.06 0.00 -0.36 0.00 0.00 55.97 55.15 1cyu s LYS 44 Cb -0.13 -2.71 -0.02 0.00 -1.51 0.00 0.00 37.83 33.46 1cyu s LYS 44 CO -0.08 0.09 -0.18 0.95 -0.36 0.00 0.00 175.35 175.78 1cyu s THR 45 N -2.29 1.41 -0.30 3.43 -4.23 -0.57 -1.75 115.64 111.34 1cyu s THR 45 Ca 0.41 -1.05 -0.14 0.00 -1.18 0.00 0.00 61.69 59.74 1cyu s THR 45 Cb -0.10 -1.23 0.14 0.00 1.34 0.00 0.00 72.50 72.65 1cyu s THR 45 CO 0.34 0.16 0.82 0.00 -0.54 0.00 0.00 174.62 175.41 1cyu s GLN 46 N -1.04 0.47 0.00 3.99 -2.07 -0.93 -4.87 119.66 115.22 1cyu s GLN 46 Ca 0.05 1.05 0.00 0.00 -1.82 0.00 0.00 55.36 54.64 1cyu s GLN 46 Cb -0.08 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.33 1cyu s GLN 46 CO 0.01 -0.14 0.00 1.33 -1.32 0.00 0.00 175.29 175.17 1cyu n VAL 47 N 4.83 0.00 0.00 3.63 0.24 -1.26 0.59 118.33 126.35 1cyu n VAL 47 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 1cyu n VAL 47 Cb 0.53 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 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 -0.73 0.00 0.00 3.34 3.14 -1.26 -3.27 118.33 119.55 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 -4.93 120.51 115.87 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 0.55 0.00 0.00 0.00 -1.25 -0.00 105.19 104.49 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 -1.93 2.61 -1.04 -1.26 -4.41 114.28 108.25 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 0.03 0.00 -1.82 0.00 0.00 70.33 68.54 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 5.47 -0.02 8.00 3.84 0.20 -3.06 114.94 129.37 1cyu s ASN 52 Ca 0.00 1.92 -0.01 0.00 0.21 0.00 0.00 52.86 54.98 1cyu s ASN 52 Cb 0.00 -2.54 0.01 0.00 -0.55 0.00 0.00 41.25 38.16 1cyu s ASN 52 CO 0.00 -1.38 0.04 -0.31 -2.79 0.00 0.00 177.10 172.66 1cyu s TYR 53 N -2.36 -0.04 -0.48 0.43 2.02 0.35 -2.18 117.35 115.09 1cyu s TYR 53 Ca 0.66 0.12 0.01 0.00 -0.37 0.00 0.00 57.07 57.49 1cyu s TYR 53 Cb -0.19 -0.01 0.13 0.00 -0.40 0.00 0.00 41.96 41.49 1cyu s TYR 53 CO 0.38 -0.03 0.24 -0.47 -1.57 0.00 0.00 175.55 174.11 1cyu s TYR 54 N 0.14 3.47 -0.87 2.71 5.04 -0.72 -0.41 117.35 126.71 1cyu s TYR 54 Ca -0.01 -2.85 -0.17 0.00 -2.44 0.00 0.00 57.07 51.60 1cyu s TYR 54 Cb -0.02 -3.04 0.16 0.00 0.35 0.00 0.00 41.96 39.42 1cyu s TYR 54 CO -0.00 -0.87 0.97 0.42 -1.34 0.00 0.00 175.55 174.73 1cyu s ILE 55 N 0.37 5.06 -0.49 3.14 -1.09 0.17 -1.38 121.20 126.98 1cyu s ILE 55 Ca 0.14 -1.87 -0.29 0.00 -2.23 0.00 0.00 60.65 56.40 1cyu s ILE 55 Cb -0.22 -4.65 0.02 0.00 -1.58 0.00 0.00 42.46 36.03 1cyu s ILE 55 CO -0.04 -1.31 1.24 -0.75 -1.23 0.00 0.00 174.94 172.85 1cyu s LYS 56 N 1.76 3.61 0.14 2.79 2.20 -0.36 -0.04 119.74 129.85 1cyu s LYS 56 Ca 0.26 0.60 -0.15 0.00 -0.36 0.00 0.00 55.97 56.32 1cyu s LYS 56 Cb -0.08 -3.98 -0.07 0.00 -1.51 0.00 0.00 37.83 32.20 1cyu s LYS 56 CO -0.08 -1.53 0.55 0.54 -0.36 0.00 0.00 175.35 174.47 1cyu s VAL 57 N 4.94 4.85 -0.02 4.02 0.11 -0.93 -0.85 120.40 132.51 1cyu s VAL 57 Ca 0.51 0.85 -0.15 0.00 -2.93 0.00 0.00 61.98 60.27 1cyu s VAL 57 Cb -0.09 -3.74 -0.05 0.00 -1.53 0.00 0.00 36.38 30.96 1cyu s VAL 57 CO 0.31 0.26 0.40 -0.60 -3.33 0.00 0.00 175.10 172.13 1cyu s ARG 58 N -1.92 3.94 -0.09 1.54 3.52 0.65 -1.46 118.95 125.13 1cyu s ARG 58 Ca 0.37 0.38 0.15 0.00 -0.13 0.00 0.00 55.73 56.51 1cyu s ARG 58 Cb -0.15 -3.24 0.33 0.00 -1.56 0.00 0.00 34.95 30.33 1cyu s ARG 58 CO 0.19 0.64 1.15 0.00 -0.81 0.00 0.00 175.30 176.48 1cyu n ALA 59 N 2.02 2.72 0.00 6.12 0.00 -1.12 -2.65 120.51 127.60 1cyu n ALA 59 Ca -0.14 -2.49 0.00 0.00 0.00 0.00 0.00 53.44 50.82 1cyu n ALA 59 Cb 0.52 -0.51 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 0.05 0.10 0.00 0.00 1.34 -3.74 105.19 102.48 1cyu n GLY 60 Ca 0.11 -1.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.06 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 0.00 -0.04 1.61 2.03 -1.26 -4.50 116.55 114.40 1cyu n ASP 61 Ca 0.00 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.34 1cyu n ASP 61 Cb 0.00 1.04 -0.15 0.00 -0.72 0.00 0.00 41.12 41.30 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 -2.73 0.62 -4.77 1.67 0.23 -1.26 -4.96 115.26 104.06 1cyu n ASN 62 Ca -0.32 0.00 -0.29 0.00 -0.53 0.00 0.00 54.58 53.44 1cyu n ASN 62 Cb 1.13 1.54 -0.06 0.00 -2.08 0.00 0.00 39.78 40.31 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 -3.01 2.83 -0.28 -3.83 3.01 -1.25 -3.79 119.74 113.44 1cyu s LYS 63 Ca -0.08 -0.78 -0.23 0.00 -1.01 0.00 0.00 55.97 53.87 1cyu s LYS 63 Cb 0.10 -2.67 0.09 0.00 -1.01 0.00 0.00 37.83 34.34 1cyu s LYS 63 CO 0.77 0.53 0.82 -0.47 0.51 0.00 0.00 175.35 177.51 1cyu s TYR 64 N -1.50 -0.72 0.35 3.18 6.14 -1.26 -2.79 117.35 120.74 1cyu s TYR 64 Ca 0.29 1.70 0.01 0.00 0.64 0.00 0.00 57.07 59.71 1cyu s TYR 64 Cb -0.11 0.34 -0.00 0.00 0.42 0.00 0.00 41.96 42.61 1cyu s TYR 64 CO 0.22 -0.35 0.02 1.28 0.64 0.00 0.00 175.55 177.36 1cyu n LEU 65 N 2.80 0.00 -3.53 6.97 4.32 -0.54 -2.50 117.00 124.54 1cyu n LEU 65 Ca -0.15 -2.26 -0.12 0.00 -0.02 0.00 0.00 56.01 53.46 1cyu n LEU 65 Cb 0.56 0.36 -0.04 0.00 -1.62 0.00 0.00 43.42 42.68 1cyu n LEU 65 CO 0.02 -0.33 0.63 -2.28 -1.22 0.00 0.00 177.39 174.21 1cyu s HIS 66 N -2.38 -0.46 0.17 -1.77 2.46 -1.18 -2.20 115.29 109.93 1cyu s HIS 66 Ca 0.03 0.62 -0.19 0.00 0.47 0.00 0.00 55.06 56.00 1cyu s HIS 66 Cb 0.00 0.47 0.04 0.00 -0.13 0.00 0.00 32.58 32.97 1cyu s HIS 66 CO 0.02 -0.52 0.53 -1.17 -2.47 0.00 0.00 174.74 171.13 1cyu s LEU 67 N -1.65 -0.04 -0.31 8.88 2.96 0.94 0.10 118.68 129.56 1cyu s LEU 67 Ca -0.02 -0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 53.55 1cyu s LEU 67 Cb -0.01 2.23 0.10 0.00 0.50 0.00 0.00 46.19 49.01 1cyu s LEU 67 CO -0.00 -1.00 0.11 -0.75 -1.32 0.00 0.00 176.35 173.39 1cyu s LYS 68 N -3.83 0.55 0.01 1.98 2.36 -1.16 0.44 119.74 120.09 1cyu s LYS 68 Ca 0.06 -0.93 -0.26 0.00 -2.55 0.00 0.00 55.97 52.29 1cyu s LYS 68 Cb -0.01 -1.72 -0.04 0.00 -1.05 0.00 0.00 37.83 35.01 1cyu s LYS 68 CO -0.07 -1.01 0.82 0.08 1.55 0.00 0.00 175.35 176.72 1cyu s VAL 69 N 1.73 4.84 -0.05 4.02 1.01 0.46 -3.31 120.40 129.09 1cyu s VAL 69 Ca 0.10 1.72 -0.01 0.00 0.00 0.00 0.00 61.98 63.79 1cyu s VAL 69 Cb -0.17 -4.16 0.03 0.00 0.00 0.00 0.00 36.38 32.07 1cyu s VAL 69 CO -0.28 0.27 0.03 0.12 0.00 0.00 0.00 175.10 175.24 1cyu s PHE 70 N 0.48 0.35 -1.30 5.22 5.36 0.22 0.13 117.98 128.43 1cyu s PHE 70 Ca 0.42 0.05 -0.09 0.00 -0.96 0.00 0.00 56.93 56.35 1cyu s PHE 70 Cb -0.20 -0.60 0.15 0.00 -0.34 0.00 0.00 43.02 42.02 1cyu s PHE 70 CO 0.23 -0.24 1.97 1.63 -1.46 0.00 0.00 175.22 177.36 1cyu n LYS 71 N 5.07 3.66 -1.68 10.12 4.01 -1.17 -0.09 118.16 138.09 1cyu n LYS 71 Ca -0.08 -3.43 -0.63 0.00 -0.51 0.00 0.00 58.31 53.66 1cyu n LYS 71 Cb 0.50 -2.92 -0.09 0.00 -0.51 0.00 0.00 35.03 32.01 1cyu n LYS 71 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1cyu n SER 72 N 3.80 1.24 -2.71 4.39 7.64 -1.25 -4.23 113.62 122.49 1cyu n SER 72 Ca 0.43 1.16 -0.07 0.00 1.01 0.00 0.00 58.87 61.40 1cyu n SER 72 Cb 0.35 -0.96 0.10 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 3.68 -1.95 -1.91 -3.43 0.00 -0.04 -4.20 117.00 109.15 1cyu n LEU 73 Ca 0.27 -3.08 -0.10 0.00 0.00 0.00 0.00 56.01 53.09 1cyu n LEU 73 Cb 0.02 0.90 -0.12 0.00 0.00 0.00 0.00 43.42 44.22 1cyu n LEU 73 CO 0.80 1.90 1.47 -0.81 0.00 0.00 0.00 177.39 180.75 1cyu n PRO 74 N 0.31 1.79 0.00 1.96 -0.04 1.00 -3.83 135.00 136.19 1cyu n PRO 74 Ca 0.01 -0.85 0.00 0.00 -0.04 0.00 0.00 63.50 62.62 1cyu n PRO 74 Cb 0.73 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 2.16 2.52 0.10 0.55 0.00 -1.26 -4.70 105.19 104.55 1cyu n GLY 75 Ca 0.34 -0.17 0.04 0.00 0.00 0.00 0.00 46.02 46.22 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 0.62 -3.24 1.61 7.27 -1.26 -5.01 117.38 117.37 1cyu n GLN 76 Ca 0.00 0.19 -0.17 0.00 0.07 0.00 0.00 57.00 57.08 1cyu n GLN 76 Cb 0.00 -1.81 0.01 0.00 2.41 0.00 0.00 30.24 30.85 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 -2.82 -6.73 -3.40 1.69 2.85 -1.26 -4.93 115.26 100.66 1cyu n ASN 77 Ca -0.07 -0.04 -0.28 0.00 -0.11 0.00 0.00 54.58 54.08 1cyu n ASN 77 Cb 0.75 -3.74 -0.07 0.00 1.24 0.00 0.00 39.78 37.96 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 -1.00 2.70 -0.76 1.20 1.02 -1.26 -5.02 120.64 117.52 1cyu n GLU 78 Ca -0.04 -4.69 0.10 0.00 -0.02 0.00 0.00 57.16 52.50 1cyu n GLU 78 Cb 0.57 -2.27 -0.04 0.00 -0.02 0.00 0.00 31.44 29.68 1cyu n GLU 78 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1cyu n ASP 79 N 0.75 -4.50 -1.54 1.62 -0.08 -1.26 -4.95 116.55 106.58 1cyu n ASP 79 Ca 0.30 0.56 0.00 0.00 -1.51 0.00 0.00 54.79 54.14 1cyu n ASP 79 Cb 0.40 -2.46 0.00 0.00 2.34 0.00 0.00 41.12 41.40 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 -3.43 0.00 -3.65 -2.67 -0.00 -1.26 -3.95 117.00 102.04 1cyu n LEU 80 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 55.97 1cyu n LEU 80 Cb 0.35 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.74 1cyu n LEU 80 CO 0.02 0.00 1.18 -0.69 -0.00 0.00 0.00 177.39 177.90 1cyu s VAL 81 N 0.79 0.00 -0.41 1.47 1.01 0.87 -4.34 120.40 119.79 1cyu s VAL 81 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.03 1cyu s VAL 81 Cb 0.00 -1.00 0.19 0.00 0.00 0.00 0.00 36.38 35.57 1cyu s VAL 81 CO 0.00 0.00 0.39 0.18 0.00 0.00 0.00 175.10 175.67 1cyu n LEU 82 N 0.44 -0.44 0.00 3.92 4.32 -1.26 -0.61 117.00 123.36 1cyu n LEU 82 Ca 0.01 -4.40 0.01 0.00 -0.02 0.00 0.00 56.01 51.61 1cyu n LEU 82 Cb 0.59 0.58 0.03 0.00 -1.62 0.00 0.00 43.42 42.99 1cyu n LEU 82 CO 0.07 1.91 0.43 0.41 -1.22 0.00 0.00 177.39 178.99 1cyu n THR 83 N 2.52 1.23 -4.33 -5.08 -1.04 -1.24 -4.53 114.28 101.82 1cyu n THR 83 Ca 0.28 0.31 -0.31 0.00 -2.04 0.00 0.00 64.05 62.29 1cyu n THR 83 Cb 0.49 -1.29 -0.10 0.00 -1.82 0.00 0.00 70.33 67.62 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 -2.64 1.78 0.00 3.41 0.00 -1.21 -4.79 107.32 103.87 1cyu s GLY 84 Ca 0.01 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.57 1cyu s GLY 84 CO 0.02 -1.09 0.00 1.58 0.00 0.00 0.00 173.10 173.61 1cyu n TYR 85 N 1.02 0.00 -3.55 1.90 0.18 -1.17 -3.00 117.16 112.54 1cyu n TYR 85 Ca -0.14 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.47 1cyu n TYR 85 Cb 0.52 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.42 1cyu n TYR 85 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1cyu s GLN 86 N 0.00 1.01 0.00 -3.48 -0.44 0.29 -4.86 119.66 112.17 1cyu s GLN 86 Ca 0.00 0.16 0.00 0.00 -2.50 0.00 0.00 55.36 53.02 1cyu s GLN 86 Cb 0.00 0.47 0.00 0.00 -1.64 0.00 0.00 33.01 31.84 1cyu s GLN 86 CO 0.00 -0.31 0.00 1.55 0.50 0.00 0.00 175.29 177.03 1cyu n VAL 87 N 0.92 0.00 -1.34 1.34 3.14 -1.26 -3.13 118.33 118.00 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 0.57 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 0.00 0.00 6.55 5.75 -1.25 -3.06 116.55 124.54 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 0.00 0.11 4.81 -1.26 -3.97 118.16 117.85 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 1.83 0.00 -0.11 3.14 2.04 -1.25 -4.37 115.26 116.55 1cyu n ASN 90 Ca 0.00 0.00 -0.22 0.00 -0.44 0.00 0.00 54.58 53.92 1cyu n ASN 90 Cb 0.00 0.00 -0.07 0.00 -2.53 0.00 0.00 39.78 37.18 1cyu n ASN 90 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1cyu n LYS 91 N 0.00 0.47 -0.41 -3.83 4.01 -1.25 -4.38 118.16 112.77 1cyu n LYS 91 Ca 0.00 0.20 0.04 0.00 -0.51 0.00 0.00 58.31 58.04 1cyu n LYS 91 Cb 0.00 -1.29 0.19 0.00 -0.51 0.00 0.00 35.03 33.42 1cyu n LYS 91 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1cyu n ASP 92 N -4.05 3.13 -4.55 4.39 2.03 -1.04 -4.84 116.55 111.62 1cyu n ASP 92 Ca -0.39 -2.39 -0.18 0.00 0.52 0.00 0.00 54.79 52.34 1cyu n ASP 92 Cb 0.75 -0.55 -0.10 0.00 -0.72 0.00 0.00 41.12 40.51 1cyu n ASP 92 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1cyu n ASP 93 N 0.34 1.22 -3.58 1.67 2.03 -1.26 -4.71 116.55 112.25 1cyu n ASP 93 Ca 0.13 -1.17 -0.18 0.00 0.52 0.00 0.00 54.79 54.09 1cyu n ASP 93 Cb 0.66 -1.43 -0.14 0.00 -0.72 0.00 0.00 41.12 39.49 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 8.51 0.12 -0.95 -0.67 2.02 -1.26 -5.08 118.70 121.39 1cyu s GLU 94 Ca 1.02 0.34 -0.22 0.00 0.02 0.00 0.00 54.97 56.13 1cyu s GLU 94 Cb -0.30 -0.86 0.07 0.00 0.10 0.00 0.00 34.13 33.14 1cyu s GLU 94 CO 0.20 -0.50 1.32 -0.51 0.02 0.00 0.00 175.26 175.79 1cyu s LEU 95 N 2.30 3.94 0.50 1.80 1.43 -1.26 -4.97 118.68 122.41 1cyu s LEU 95 Ca 0.05 -1.49 0.05 0.00 -1.03 0.00 0.00 54.13 51.70 1cyu s LEU 95 Cb -0.14 -2.51 -0.00 0.00 0.03 0.00 0.00 46.19 43.56 1cyu s LEU 95 CO -0.09 -1.42 0.21 0.42 0.23 0.00 0.00 176.35 175.71 1cyu s THR 96 N 4.38 1.69 0.00 5.49 -4.23 -1.26 -5.05 115.64 116.66 1cyu s THR 96 Ca 0.40 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 1cyu s THR 96 Cb -0.03 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.41 1cyu s THR 96 CO -0.06 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 1cyu n GLY 97 N -1.46 3.71 0.00 3.99 0.00 -1.26 -4.95 105.19 105.22 1cyu n GLY 97 Ca -0.07 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1cyu n GLY 97 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65