#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 0.00 0.17 2.02 0.13 -1.26 -5.02 119.36 115.40 1cyu n ILE 2 Ca 0.00 -0.51 -0.01 0.00 -1.10 0.00 0.00 62.75 61.13 1cyu n ILE 2 Cb 0.00 1.01 0.00 0.00 -0.84 0.00 0.00 39.64 39.81 1cyu n ILE 2 CO 0.00 0.00 0.00 -0.81 2.80 0.00 0.00 176.55 178.54 1cyu n PRO 3 N 1.25 1.03 -3.09 9.51 -0.04 -1.26 -4.87 135.00 137.53 1cyu n PRO 3 Ca -0.02 -0.06 -0.39 0.00 -0.04 0.00 0.00 63.50 62.99 1cyu n PRO 3 Cb 0.73 -1.02 -0.05 0.00 -0.04 0.00 0.00 33.50 33.12 1cyu n PRO 3 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1cyu s GLY 4 N 1.48 2.74 -1.71 0.55 0.00 -1.26 -3.79 107.32 105.32 1cyu s GLY 4 Ca 0.01 0.18 -0.16 0.00 0.00 0.00 0.00 44.72 44.75 1cyu s GLY 4 CO 0.00 0.88 0.57 0.61 0.00 0.00 0.00 173.10 175.16 1cyu n GLY 5 N 2.22 -0.36 3.09 0.20 0.00 -1.26 -4.70 105.19 104.39 1cyu n GLY 5 Ca -0.05 0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.30 -2.44 0.00 0.99 -0.00 -1.25 -2.72 117.00 107.27 1cyu n LEU 6 Ca -0.01 -0.11 0.00 0.00 -0.00 0.00 0.00 56.01 55.89 1cyu n LEU 6 Cb 0.53 -0.72 0.00 0.00 -0.00 0.00 0.00 43.42 43.23 1cyu n LEU 6 CO 0.88 -2.80 0.00 -1.20 -0.00 0.00 0.00 177.39 174.28 1cyu n SER 7 N 0.71 0.00 -4.30 1.45 7.64 -1.26 -4.28 113.62 113.58 1cyu n SER 7 Ca 0.00 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.44 1cyu n SER 7 Cb 0.59 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.78 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 3.88 0.00 1.43 0.41 -1.24 -4.97 118.70 118.20 1cyu s GLU 8 Ca 0.00 -3.01 0.00 0.00 -0.41 0.00 0.00 54.97 51.55 1cyu s GLU 8 Cb 0.00 -4.42 0.00 0.00 -1.78 0.00 0.00 34.13 27.93 1cyu s GLU 8 CO 0.00 -1.25 0.00 0.00 -0.49 0.00 0.00 175.26 173.52 1cyu n ALA 9 N 3.00 0.00 -2.35 5.21 0.00 -1.10 -1.00 120.51 124.27 1cyu n ALA 9 Ca 0.20 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.46 1cyu n ALA 9 Cb 0.41 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.76 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 1.37 -0.45 0.00 1.02 -1.14 -4.84 119.74 113.70 1cyu s LYS 10 Ca 0.00 -1.68 -0.29 0.00 0.02 0.00 0.00 55.97 54.02 1cyu s LYS 10 Cb 0.00 -0.76 0.02 0.00 -0.52 0.00 0.00 37.83 36.57 1cyu s LYS 10 CO 0.00 -0.04 1.23 -1.25 -0.92 0.00 0.00 175.35 174.36 1cyu s PRO 11 N -3.81 3.69 0.00 -1.68 0.04 -1.26 -2.06 135.00 129.92 1cyu s PRO 11 Ca 0.28 0.72 0.00 0.00 0.04 0.00 0.00 61.00 62.03 1cyu s PRO 11 Cb 0.05 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.65 1cyu s PRO 11 CO 0.09 -1.42 0.00 0.00 0.04 0.00 0.00 177.00 175.71 1cyu n ALA 12 N 8.12 -1.00 -1.92 8.56 0.00 -0.82 -4.83 120.51 128.62 1cyu n ALA 12 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.30 1cyu n ALA 12 Cb 0.49 -0.22 0.10 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 2.10 -1.55 0.00 -4.23 -1.26 -4.80 115.64 105.90 1cyu s THR 13 Ca 0.00 -0.12 0.24 0.00 -1.18 0.00 0.00 61.69 60.62 1cyu s THR 13 Cb 0.00 -2.98 0.47 0.00 1.34 0.00 0.00 72.50 71.33 1cyu s THR 13 CO 0.00 0.00 1.79 -0.81 -0.54 0.00 0.00 174.62 175.06 1cyu n PRO 14 N -3.23 0.43 -0.06 3.99 -0.04 -1.26 -1.38 135.00 133.44 1cyu n PRO 14 Ca 0.10 0.05 -0.12 0.00 -0.04 0.00 0.00 63.50 63.49 1cyu n PRO 14 Cb 0.61 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.53 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 0.36 -0.17 0.54 4.07 -1.26 -4.29 120.64 118.67 1cyu n GLU 15 Ca 0.13 0.15 -0.04 0.00 -0.06 0.00 0.00 57.16 57.33 1cyu n GLU 15 Cb 0.17 -1.11 0.05 0.00 -0.06 0.00 0.00 31.44 30.48 1cyu n GLU 15 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 1cyu h ILE 16 N -0.64 0.95 -0.03 6.31 1.08 -1.93 0.82 117.51 124.07 1cyu h ILE 16 Ca -0.20 -0.17 0.01 0.00 -0.39 0.00 0.00 64.86 64.11 1cyu h ILE 16 Cb 0.98 0.41 -0.00 0.00 -3.07 0.00 0.00 36.82 35.14 1cyu h ILE 16 CO -0.12 0.09 0.04 0.06 -0.69 0.00 0.00 178.15 177.53 1cyu h GLN 17 N 0.49 0.00 -0.49 2.37 3.07 -1.49 0.20 115.11 119.26 1cyu h GLN 17 Ca 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.94 1cyu h GLN 17 Cb 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.67 1cyu h GLN 17 CO -0.16 0.00 0.22 1.49 0.09 0.00 0.00 178.83 180.46 1cyu h GLU 18 N 0.00 0.70 -0.66 0.06 4.57 -1.01 -0.93 114.58 117.30 1cyu h GLU 18 Ca 0.01 -0.09 -0.06 0.00 -1.18 0.00 0.00 59.36 58.04 1cyu h GLU 18 Cb 0.09 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.52 1cyu h GLU 18 CO -0.00 0.56 0.18 0.97 -1.18 0.00 0.00 179.01 179.54 1cyu h ILE 19 N 0.70 1.25 0.00 2.32 -0.00 -0.95 -0.73 117.51 120.10 1cyu h ILE 19 Ca 0.17 -0.90 0.00 0.00 -0.00 0.00 0.00 64.86 64.13 1cyu h ILE 19 Cb 0.11 0.55 0.00 0.00 -0.00 0.00 0.00 36.82 37.48 1cyu h ILE 19 CO -0.02 0.35 0.15 0.58 -0.00 0.00 0.00 178.15 179.21 1cyu h VAL 20 N 0.99 0.00 0.00 2.19 2.07 -1.12 0.21 116.25 120.60 1cyu h VAL 20 Ca 0.21 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.60 1cyu h VAL 20 Cb 0.33 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1cyu h VAL 20 CO -0.00 0.00 -2.08 -0.67 0.02 0.00 0.00 177.57 174.83 1cyu n ASP 21 N -2.65 0.30 0.00 0.57 -0.08 -0.36 -3.30 116.55 111.03 1cyu n ASP 21 Ca -0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.26 1cyu n ASP 21 Cb 0.20 1.56 0.00 0.00 2.34 0.00 0.00 41.12 45.22 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 -2.41 0.00 0.00 -0.67 3.00 0.73 -2.75 118.16 116.06 1cyu n LYS 22 Ca -0.14 0.15 0.14 0.00 -0.00 0.00 0.00 58.31 58.46 1cyu n LYS 22 Cb 0.77 -0.89 0.64 0.00 0.00 0.00 0.00 35.03 35.54 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 -0.95 0.00 -2.58 3.15 0.31 -1.06 -3.89 118.33 113.31 1cyu n VAL 23 Ca 0.00 -0.09 -0.21 0.00 -0.01 0.00 0.00 64.34 64.04 1cyu n VAL 23 Cb 0.00 -0.03 0.01 0.00 -0.91 0.00 0.00 33.84 32.91 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 -0.75 2.59 0.00 5.55 4.01 -1.21 -4.83 118.16 123.52 1cyu n LYS 24 Ca 0.17 -4.08 0.08 0.00 -0.51 0.00 0.00 58.31 53.97 1cyu n LYS 24 Cb 0.27 -1.90 0.47 0.00 -0.51 0.00 0.00 35.03 33.36 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 -0.31 0.54 0.00 1.97 -0.04 -1.11 -1.64 135.00 134.41 1cyu n PRO 25 Ca 0.28 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1cyu n PRO 25 Cb 0.70 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 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 -0.96 0.00 0.32 0.54 6.02 -1.26 -4.41 117.38 117.62 1cyu n GLN 26 Ca 0.12 0.00 0.18 0.00 -0.01 0.00 0.00 57.00 57.29 1cyu n GLN 26 Cb 0.05 -0.56 0.96 0.00 1.02 0.00 0.00 30.24 31.71 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 -0.00 -1.85 -0.25 115.31 114.28 1cyu h LEU 27 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1cyu h LEU 27 Cb 0.84 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.50 1cyu h LEU 27 CO 0.00 0.00 -1.32 1.21 -0.00 0.00 0.00 178.44 178.33 1cyu n GLU 28 N -2.88 0.62 -3.00 1.13 0.00 -0.65 -4.38 120.64 111.48 1cyu n GLU 28 Ca -0.02 0.02 -0.15 0.00 0.00 0.00 0.00 57.16 57.01 1cyu n GLU 28 Cb 0.21 -1.73 -0.00 0.00 0.00 0.00 0.00 31.44 29.92 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 -2.55 1.03 0.08 5.31 0.28 -0.16 -4.49 120.64 120.15 1cyu n GLU 29 Ca -0.01 -3.23 0.00 0.00 -0.16 0.00 0.00 57.16 53.75 1cyu n GLU 29 Cb 0.56 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.93 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 0.16 0.00 -0.20 3.44 0.00 -0.88 -4.78 118.16 115.90 1cyu n LYS 30 Ca 0.19 0.00 0.31 0.00 0.00 0.00 0.00 58.31 58.80 1cyu n LYS 30 Cb 0.71 0.00 0.68 0.00 0.00 0.00 0.00 35.03 36.43 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 0.00 0.27 -7.11 3.15 1.03 -1.77 -3.43 112.91 105.05 1cyu h THR 31 Ca 0.00 0.00 -0.62 0.00 -0.01 0.00 0.00 66.41 65.78 1cyu h THR 31 Cb 0.00 0.35 -0.28 0.00 -1.07 0.00 0.00 68.15 67.15 1cyu h THR 31 CO 0.00 0.00 -0.94 -0.46 -0.01 0.00 0.00 175.52 174.11 1cyu n ASN 32 N -3.80 -0.34 -4.65 0.00 0.23 -1.26 -4.85 115.26 100.59 1cyu n ASN 32 Ca 0.21 -1.25 -0.30 0.00 -0.53 0.00 0.00 54.58 52.71 1cyu n ASN 32 Cb 1.19 -1.68 0.17 0.00 -2.08 0.00 0.00 39.78 37.39 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 -7.29 0.79 -0.28 -3.83 2.56 -1.26 -4.87 118.70 104.52 1cyu s GLU 33 Ca 0.36 1.30 0.02 0.00 0.00 0.00 0.00 54.97 56.65 1cyu s GLU 33 Cb -0.21 -1.72 0.36 0.00 2.00 0.00 0.00 34.13 34.56 1cyu s GLU 33 CO 1.01 -2.71 1.62 -2.37 -0.56 0.00 0.00 175.26 172.25 1cyu n THR 34 N -4.26 2.38 -3.20 -1.70 5.66 -1.26 -4.86 114.28 107.05 1cyu n THR 34 Ca 0.09 -1.24 0.00 0.00 -3.05 0.00 0.00 64.05 59.85 1cyu n THR 34 Cb 0.53 -0.82 0.00 0.00 -1.55 0.00 0.00 70.33 68.49 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 -0.33 -0.23 -3.28 1.09 4.01 -1.26 -5.07 117.16 112.09 1cyu n TYR 35 Ca 0.34 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.64 1cyu n TYR 35 Cb 1.06 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 40.09 1cyu n TYR 35 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1cyu s GLY 36 N -0.59 3.11 -0.03 2.72 0.00 -1.26 -4.60 107.32 106.67 1cyu s GLY 36 Ca 0.00 -3.78 0.20 0.00 0.00 0.00 0.00 44.72 41.14 1cyu s GLY 36 CO 0.00 1.45 1.14 0.28 0.00 0.00 0.00 173.10 175.97 1cyu n LYS 37 N 3.16 0.20 -2.77 2.90 4.01 -1.26 -4.88 118.16 119.52 1cyu n LYS 37 Ca 0.26 -1.97 -0.32 0.00 -0.51 0.00 0.00 58.31 55.77 1cyu n LYS 37 Cb 0.40 -0.30 -0.01 0.00 -0.51 0.00 0.00 35.03 34.60 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 0.19 5.63 0.00 -0.35 7.99 -1.26 0.45 117.00 129.64 1cyu n LEU 38 Ca 0.07 -5.53 0.00 0.00 -0.01 0.00 0.00 56.01 50.54 1cyu n LEU 38 Cb 1.01 -0.79 0.00 0.00 -0.11 0.00 0.00 43.42 43.53 1cyu n LEU 38 CO -0.03 2.22 0.00 1.21 -1.51 0.00 0.00 177.39 179.28 1cyu n GLU 39 N -0.21 0.00 -1.27 3.23 4.07 -0.98 -4.76 120.64 120.72 1cyu n GLU 39 Ca 0.38 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 57.15 1cyu n GLU 39 Cb 0.35 0.00 0.10 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 2.05 -0.18 4.31 0.00 -1.26 -0.22 121.76 125.46 1cyu s ALA 40 Ca 0.00 0.62 0.03 0.00 0.00 0.00 0.00 51.96 52.61 1cyu s ALA 40 Cb 0.00 -3.40 -0.22 0.00 0.00 0.00 0.00 23.12 19.51 1cyu s ALA 40 CO 0.00 -1.97 0.09 1.55 0.00 0.00 0.00 175.76 175.44 1cyu n VAL 41 N -3.21 1.58 0.00 0.00 3.14 0.18 -3.92 118.33 116.10 1cyu n VAL 41 Ca 0.12 -0.66 0.00 0.00 -2.96 0.00 0.00 64.34 60.83 1cyu n VAL 41 Cb 0.52 -1.33 0.00 0.00 -1.06 0.00 0.00 33.84 31.97 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 -3.23 0.00 -3.64 1.45 0.00 -0.45 -1.94 117.38 109.57 1cyu n GLN 42 Ca -0.37 0.00 -0.20 0.00 -0.00 0.00 0.00 57.00 56.43 1cyu n GLN 42 Cb 1.04 0.00 -0.17 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 -0.00 0.31 3.69 1.13 -0.87 -1.35 117.35 118.25 1cyu s TYR 43 Ca 0.00 0.23 -0.01 0.00 -1.41 0.00 0.00 57.07 55.88 1cyu s TYR 43 Cb 0.00 -0.46 -0.04 0.00 -1.10 0.00 0.00 41.96 40.36 1cyu s TYR 43 CO 0.00 -0.31 0.52 0.21 -2.51 0.00 0.00 175.55 173.46 1cyu s LYS 44 N 2.21 3.53 -0.06 -3.49 2.20 -0.50 -2.87 119.74 120.76 1cyu s LYS 44 Ca 0.04 -0.25 0.06 0.00 -0.36 0.00 0.00 55.97 55.45 1cyu s LYS 44 Cb -0.13 -2.69 -0.01 0.00 -1.51 0.00 0.00 37.83 33.49 1cyu s LYS 44 CO -0.06 0.21 -0.23 0.95 -0.36 0.00 0.00 175.35 175.86 1cyu s THR 45 N -2.18 2.21 -0.27 3.43 -4.23 -0.17 -1.67 115.64 112.75 1cyu s THR 45 Ca 0.41 -1.01 -0.11 0.00 -1.18 0.00 0.00 61.69 59.80 1cyu s THR 45 Cb -0.10 -1.81 0.11 0.00 1.34 0.00 0.00 72.50 72.03 1cyu s THR 45 CO 0.33 0.57 0.61 0.00 -0.54 0.00 0.00 174.62 175.60 1cyu s GLN 46 N -0.19 0.56 0.00 3.99 -2.07 -1.07 -4.85 119.66 116.03 1cyu s GLN 46 Ca -0.02 1.31 0.00 0.00 -1.82 0.00 0.00 55.36 54.83 1cyu s GLN 46 Cb -0.14 0.59 0.00 0.00 -1.09 0.00 0.00 33.01 32.37 1cyu s GLN 46 CO 0.03 -0.19 0.00 1.33 -1.32 0.00 0.00 175.29 175.14 1cyu n VAL 47 N 5.12 0.00 0.00 3.63 0.24 -1.26 0.11 118.33 126.17 1cyu n VAL 47 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1cyu n VAL 47 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 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 -0.63 0.00 0.00 3.34 3.14 -1.26 -3.18 118.33 119.74 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 0.60 0.00 0.00 0.00 -1.22 0.15 105.19 104.71 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 -2.28 2.61 -1.04 -1.26 -4.51 114.28 107.80 1cyu n THR 51 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 1cyu n THR 51 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 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 6.51 -0.04 8.00 3.04 0.12 -2.99 114.94 129.58 1cyu s ASN 52 Ca 0.00 1.55 -0.01 0.00 0.04 0.00 0.00 52.86 54.44 1cyu s ASN 52 Cb 0.00 -2.50 0.03 0.00 -1.54 0.00 0.00 41.25 37.24 1cyu s ASN 52 CO 0.00 -0.67 0.07 -0.31 -3.04 0.00 0.00 177.10 173.15 1cyu s TYR 53 N -2.72 0.00 -0.66 0.43 2.02 0.29 -2.59 117.35 114.12 1cyu s TYR 53 Ca 0.58 0.26 -0.14 0.00 -0.37 0.00 0.00 57.07 57.40 1cyu s TYR 53 Cb -0.10 -0.31 0.17 0.00 -0.40 0.00 0.00 41.96 41.31 1cyu s TYR 53 CO 0.36 -0.15 0.61 -0.47 -1.57 0.00 0.00 175.55 174.32 1cyu s TYR 54 N 1.60 3.49 -1.02 2.71 5.04 -0.67 0.73 117.35 129.22 1cyu s TYR 54 Ca -0.03 -1.66 -0.13 0.00 -2.44 0.00 0.00 57.07 52.80 1cyu s TYR 54 Cb -0.12 -3.78 0.21 0.00 0.35 0.00 0.00 41.96 38.62 1cyu s TYR 54 CO -0.04 -1.00 1.09 0.42 -1.34 0.00 0.00 175.55 174.68 1cyu s ILE 55 N 0.92 5.42 -0.29 3.14 -1.09 0.15 -1.40 121.20 128.05 1cyu s ILE 55 Ca 0.10 -2.61 -0.29 0.00 -2.23 0.00 0.00 60.65 55.62 1cyu s ILE 55 Cb -0.21 -4.67 -0.01 0.00 -1.58 0.00 0.00 42.46 35.99 1cyu s ILE 55 CO -0.03 -1.30 1.41 -0.75 -1.23 0.00 0.00 174.94 173.04 1cyu s LYS 56 N 0.56 3.84 0.11 2.79 2.20 -0.46 0.20 119.74 128.99 1cyu s LYS 56 Ca 0.30 1.34 -0.14 0.00 -0.36 0.00 0.00 55.97 57.11 1cyu s LYS 56 Cb -0.07 -3.94 -0.07 0.00 -1.51 0.00 0.00 37.83 32.24 1cyu s LYS 56 CO -0.07 -1.22 0.51 0.54 -0.36 0.00 0.00 175.35 174.75 1cyu s VAL 57 N 4.73 4.91 -0.10 4.02 0.11 -0.98 -0.65 120.40 132.45 1cyu s VAL 57 Ca 0.61 0.78 -0.10 0.00 -2.93 0.00 0.00 61.98 60.34 1cyu s VAL 57 Cb -0.19 -3.73 -0.05 0.00 -1.53 0.00 0.00 36.38 30.89 1cyu s VAL 57 CO 0.26 0.30 0.23 -0.60 -3.33 0.00 0.00 175.10 171.96 1cyu s ARG 58 N -1.81 3.76 -0.07 1.54 3.52 0.70 -1.57 118.95 125.01 1cyu s ARG 58 Ca 0.35 0.03 0.11 0.00 -0.13 0.00 0.00 55.73 56.09 1cyu s ARG 58 Cb -0.15 -3.26 0.20 0.00 -1.56 0.00 0.00 34.95 30.18 1cyu s ARG 58 CO 0.18 0.63 1.10 0.00 -0.81 0.00 0.00 175.30 176.40 1cyu n ALA 59 N 2.32 2.29 0.00 6.12 0.00 -1.14 -2.31 120.51 127.80 1cyu n ALA 59 Ca -0.17 -2.00 0.00 0.00 0.00 0.00 0.00 53.44 51.27 1cyu n ALA 59 Cb 0.54 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.65 0.42 0.12 0.00 0.00 1.57 -4.16 105.19 102.48 1cyu n GLY 60 Ca 0.09 -2.12 -0.16 0.00 0.00 0.00 0.00 46.02 43.83 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 1.59 0.00 1.61 -0.08 -1.26 -4.28 116.55 114.14 1cyu n ASP 61 Ca 0.00 0.26 -0.00 0.00 -1.51 0.00 0.00 54.79 53.54 1cyu n ASP 61 Cb 0.00 -0.49 -0.11 0.00 2.34 0.00 0.00 41.12 42.86 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 -3.29 0.61 -4.85 1.67 0.23 -1.26 -4.89 115.26 103.48 1cyu n ASN 62 Ca -0.27 0.27 -0.35 0.00 -0.53 0.00 0.00 54.58 53.70 1cyu n ASN 62 Cb 1.05 0.53 -0.06 0.00 -2.08 0.00 0.00 39.78 39.22 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 -2.92 3.92 -0.39 -3.83 1.02 -1.24 -3.05 119.74 113.25 1cyu s LYS 63 Ca -0.05 0.40 0.07 0.00 0.02 0.00 0.00 55.97 56.42 1cyu s LYS 63 Cb 0.09 -2.94 0.18 0.00 -0.52 0.00 0.00 37.83 34.64 1cyu s LYS 63 CO 0.83 0.49 0.61 -0.47 -0.92 0.00 0.00 175.35 175.89 1cyu s TYR 64 N -1.46 -1.70 0.30 3.18 6.14 -1.26 -3.22 117.35 119.33 1cyu s TYR 64 Ca 0.37 0.35 -0.01 0.00 0.64 0.00 0.00 57.07 58.42 1cyu s TYR 64 Cb -0.15 0.29 0.06 0.00 0.42 0.00 0.00 41.96 42.58 1cyu s TYR 64 CO 0.19 -1.16 0.41 1.28 0.64 0.00 0.00 175.55 176.91 1cyu n LEU 65 N 4.58 0.00 -3.49 6.97 4.32 -0.61 -4.47 117.00 124.31 1cyu n LEU 65 Ca 0.10 -0.81 -0.15 0.00 -0.02 0.00 0.00 56.01 55.13 1cyu n LEU 65 Cb 0.56 -0.27 -0.04 0.00 -1.62 0.00 0.00 43.42 42.05 1cyu n LEU 65 CO 0.00 -0.71 0.48 -2.28 -1.22 0.00 0.00 177.39 173.66 1cyu s HIS 66 N -1.19 -0.57 0.21 -1.77 2.46 -1.19 -2.31 115.29 110.94 1cyu s HIS 66 Ca 0.27 0.75 -0.14 0.00 0.47 0.00 0.00 55.06 56.41 1cyu s HIS 66 Cb -0.01 0.47 0.01 0.00 -0.13 0.00 0.00 32.58 32.92 1cyu s HIS 66 CO 0.18 -0.65 0.46 -1.17 -2.47 0.00 0.00 174.74 171.08 1cyu s LEU 67 N -1.78 0.36 -0.26 8.88 2.96 0.13 -1.32 118.68 127.65 1cyu s LEU 67 Ca -0.05 -0.73 -0.03 0.00 -0.22 0.00 0.00 54.13 53.10 1cyu s LEU 67 Cb -0.00 1.81 0.11 0.00 0.50 0.00 0.00 46.19 48.60 1cyu s LEU 67 CO 0.00 -1.05 0.19 -0.75 -1.32 0.00 0.00 176.35 173.42 1cyu s LYS 68 N -3.94 0.21 0.09 1.98 2.36 -1.09 0.31 119.74 119.65 1cyu s LYS 68 Ca 0.15 -0.24 -0.27 0.00 -2.55 0.00 0.00 55.97 53.07 1cyu s LYS 68 Cb -0.00 -1.10 -0.06 0.00 -1.05 0.00 0.00 37.83 35.62 1cyu s LYS 68 CO 0.02 -0.92 0.83 0.08 1.55 0.00 0.00 175.35 176.91 1cyu s VAL 69 N 2.22 4.59 -0.05 4.02 1.01 0.22 -3.24 120.40 129.18 1cyu s VAL 69 Ca 0.08 1.79 -0.02 0.00 0.00 0.00 0.00 61.98 63.83 1cyu s VAL 69 Cb -0.15 -4.19 0.03 0.00 0.00 0.00 0.00 36.38 32.07 1cyu s VAL 69 CO -0.28 0.37 0.07 0.12 0.00 0.00 0.00 175.10 175.38 1cyu s PHE 70 N -0.22 0.02 -1.33 5.22 5.36 0.35 0.10 117.98 127.48 1cyu s PHE 70 Ca 0.41 0.31 -0.07 0.00 -0.96 0.00 0.00 56.93 56.62 1cyu s PHE 70 Cb -0.22 -0.42 0.12 0.00 -0.34 0.00 0.00 43.02 42.16 1cyu s PHE 70 CO 0.26 -0.19 2.27 1.63 -1.46 0.00 0.00 175.22 177.73 1cyu n LYS 71 N 5.19 4.27 -1.01 10.12 4.76 -1.16 0.26 118.16 140.59 1cyu n LYS 71 Ca -0.06 -3.41 -0.43 0.00 -2.87 0.00 0.00 58.31 51.54 1cyu n LYS 71 Cb 0.50 -2.72 -0.10 0.00 -1.84 0.00 0.00 35.03 30.87 1cyu n LYS 71 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1cyu n SER 72 N 2.44 0.50 -2.93 4.39 7.64 -1.26 -4.40 113.62 120.00 1cyu n SER 72 Ca 0.57 0.44 -0.13 0.00 1.01 0.00 0.00 58.87 60.76 1cyu n SER 72 Cb 0.28 -0.70 0.04 0.00 -1.01 0.00 0.00 64.21 62.82 1cyu n SER 72 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1cyu n LEU 73 N 6.29 -1.06 -1.94 -3.43 0.00 -0.71 -3.88 117.00 112.28 1cyu n LEU 73 Ca 0.44 -4.23 -0.11 0.00 0.00 0.00 0.00 56.01 52.12 1cyu n LEU 73 Cb -0.02 0.84 -0.12 0.00 0.00 0.00 0.00 43.42 44.12 1cyu n LEU 73 CO 0.69 2.16 1.49 -0.81 0.00 0.00 0.00 177.39 180.91 1cyu n PRO 74 N 0.44 1.83 0.00 1.96 -0.04 0.39 -3.43 135.00 136.15 1cyu n PRO 74 Ca 0.14 -0.92 0.00 0.00 -0.04 0.00 0.00 63.50 62.69 1cyu n PRO 74 Cb 0.67 -1.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 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 2.14 2.55 0.06 0.55 0.00 -1.26 -4.78 105.19 104.46 1cyu n GLY 75 Ca 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 -2.00 0.67 -3.04 1.61 7.27 -1.26 -5.05 117.38 115.58 1cyu n GLN 76 Ca 0.00 -0.08 -0.07 0.00 0.07 0.00 0.00 57.00 56.93 1cyu n GLN 76 Cb 0.00 -1.54 0.01 0.00 2.41 0.00 0.00 30.24 31.12 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 -2.55 -7.07 -3.30 1.69 4.05 -1.26 -4.98 115.26 101.84 1cyu n ASN 77 Ca -0.19 0.69 -0.20 0.00 0.45 0.00 0.00 54.58 55.32 1cyu n ASN 77 Cb 0.89 -3.27 -0.08 0.00 1.23 0.00 0.00 39.78 38.54 1cyu n ASN 77 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1cyu s GLU 78 N -1.60 0.79 0.35 1.20 0.41 -1.25 -5.06 118.70 113.54 1cyu s GLU 78 Ca 0.08 -1.41 0.00 0.00 -0.41 0.00 0.00 54.97 53.24 1cyu s GLU 78 Cb -0.01 -0.95 0.00 0.00 -1.78 0.00 0.00 34.13 31.39 1cyu s GLU 78 CO 0.47 -1.29 0.00 -3.47 -0.49 0.00 0.00 175.26 170.49 1cyu n ASP 79 N 3.51 -7.59 0.00 -0.19 -0.08 -1.26 -4.95 116.55 105.99 1cyu n ASP 79 Ca 0.19 0.68 0.00 0.00 -1.51 0.00 0.00 54.79 54.15 1cyu n ASP 79 Cb 0.47 -3.96 0.00 0.00 2.34 0.00 0.00 41.12 39.96 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 -3.96 0.00 0.00 -2.67 -0.00 -1.26 -4.13 117.00 104.98 1cyu n LEU 80 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 1cyu n LEU 80 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 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 -3.15 1.47 0.31 0.14 -4.41 118.33 112.68 1cyu n VAL 81 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.12 1cyu n VAL 81 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 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 -0.72 0.11 7.52 4.32 -1.26 -0.50 117.00 126.47 1cyu n LEU 82 Ca 0.00 -4.28 0.05 0.00 -0.02 0.00 0.00 56.01 51.76 1cyu n LEU 82 Cb 0.00 0.65 0.24 0.00 -1.62 0.00 0.00 43.42 42.69 1cyu n LEU 82 CO 0.00 1.99 0.70 0.41 -1.22 0.00 0.00 177.39 179.27 1cyu n THR 83 N 1.97 0.84 -4.41 -5.08 -1.04 -1.24 -4.37 114.28 100.95 1cyu n THR 83 Ca 0.22 0.66 -0.30 0.00 -2.04 0.00 0.00 64.05 62.59 1cyu n THR 83 Cb 0.53 -1.66 -0.11 0.00 -1.82 0.00 0.00 70.33 67.27 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 -2.96 1.69 0.00 3.41 0.00 -1.20 -4.82 107.32 103.43 1cyu s GLY 84 Ca -0.01 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.48 1cyu s GLY 84 CO 0.08 -1.17 0.00 1.58 0.00 0.00 0.00 173.10 173.59 1cyu n TYR 85 N 1.10 0.00 0.00 1.90 4.11 -1.18 -2.69 117.16 120.40 1cyu n TYR 85 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.75 1cyu n TYR 85 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.86 1cyu n TYR 85 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 1cyu n GLN 86 N 0.00 0.00 -0.82 -3.48 1.13 -0.43 -4.92 117.38 108.86 1cyu n GLN 86 Ca 0.00 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 55.02 1cyu n GLN 86 Cb 0.00 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.37 1cyu n GLN 86 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 1cyu n VAL 87 N -0.01 0.00 0.00 5.09 3.14 -1.26 -3.15 118.33 122.14 1cyu n VAL 87 Ca 0.00 -0.25 0.00 0.00 -2.96 0.00 0.00 64.34 61.13 1cyu n VAL 87 Cb 0.00 -1.43 0.00 0.00 -1.06 0.00 0.00 33.84 31.35 1cyu n VAL 87 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1cyu n ASP 88 N -3.02 0.00 0.00 6.55 -0.08 -1.26 -4.60 116.55 114.14 1cyu n ASP 88 Ca 0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 1cyu n ASP 88 Cb 0.10 0.09 0.00 0.00 2.34 0.00 0.00 41.12 43.65 1cyu n ASP 88 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1cyu n LYS 89 N -1.52 0.00 0.00 -0.67 4.81 -1.26 -3.73 118.16 115.80 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 2.19 0.00 0.00 3.14 2.04 -1.17 -3.58 115.26 117.88 1cyu n ASN 90 Ca 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 54.58 54.12 1cyu n ASN 90 Cb 0.00 0.00 -0.01 0.00 -2.53 0.00 0.00 39.78 37.24 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 0.04 0.00 -3.83 4.01 -1.24 -4.61 118.16 112.53 1cyu n LYS 91 Ca 0.00 0.02 0.03 0.00 -0.51 0.00 0.00 58.31 57.84 1cyu n LYS 91 Cb 0.00 -0.56 0.16 0.00 -0.51 0.00 0.00 35.03 34.12 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 -3.21 0.00 -4.53 4.39 -0.08 -1.26 -4.79 116.55 107.07 1cyu n ASP 92 Ca -0.03 -1.74 -0.26 0.00 -1.51 0.00 0.00 54.79 51.24 1cyu n ASP 92 Cb 0.39 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.71 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 -0.59 0.47 -3.29 1.67 2.03 -1.26 -4.75 116.55 110.84 1cyu n ASP 93 Ca 0.04 -0.64 -0.25 0.00 0.52 0.00 0.00 54.79 54.46 1cyu n ASP 93 Cb 0.02 -1.11 -0.08 0.00 -0.72 0.00 0.00 41.12 39.22 1cyu n ASP 93 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1cyu n GLU 94 N 7.68 0.37 -1.52 -0.67 4.71 -1.26 -5.07 120.64 124.88 1cyu n GLU 94 Ca 0.56 -3.11 -0.34 0.00 -0.01 0.00 0.00 57.16 54.26 1cyu n GLU 94 Cb 0.27 -1.51 -0.12 0.00 -1.01 0.00 0.00 31.44 29.06 1cyu n GLU 94 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1cyu n LEU 95 N 2.36 0.72 -4.11 -4.62 4.77 -1.26 -4.81 117.00 110.04 1cyu n LEU 95 Ca 0.26 -0.29 -0.15 0.00 -0.03 0.00 0.00 56.01 55.81 1cyu n LEU 95 Cb 0.50 -1.12 -0.05 0.00 -2.33 0.00 0.00 43.42 40.43 1cyu n LEU 95 CO 0.11 -1.26 0.09 0.42 -1.33 0.00 0.00 177.39 175.42 1cyu s THR 96 N 9.05 0.00 0.00 -5.08 -4.23 -1.26 -5.08 115.64 109.04 1cyu s THR 96 Ca 1.21 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 60.06 1cyu s THR 96 Cb -0.79 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 70.47 1cyu s THR 96 CO 0.40 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.09 1cyu n GLY 97 N -0.55 3.01 3.41 3.99 0.00 -1.25 -4.06 105.19 109.75 1cyu n GLY 97 Ca 0.02 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1cyu n GLY 97 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65