#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n88 n LYS 2 N 0.00 3.64 0.00 2.12 5.02 -1.26 -4.40 118.16 123.29 1n88 n LYS 2 Ca 0.00 -3.00 0.00 0.00 -2.02 0.00 0.00 58.31 53.29 1n88 n LYS 2 Cb 0.00 -2.93 0.00 0.00 -0.02 0.00 0.00 35.03 32.08 1n88 n LYS 2 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1n88 n THR 3 N 3.50 0.00 1.40 -0.18 -2.24 -1.26 -4.20 114.28 111.30 1n88 n THR 3 Ca 0.56 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.48 1n88 n THR 3 Cb 0.32 0.00 0.64 0.00 -2.10 0.00 0.00 70.33 69.19 1n88 n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n88 n ALA 4 N -3.00 2.71 -1.00 6.98 0.00 -1.22 -4.02 120.51 120.96 1n88 n ALA 4 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1n88 n ALA 4 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1n88 n ALA 4 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1n88 n TYR 5 N -1.05 0.00 -0.20 0.00 4.11 -1.26 -2.33 117.16 116.43 1n88 n TYR 5 Ca 0.14 0.00 -0.04 0.00 -0.00 0.00 0.00 57.90 58.00 1n88 n TYR 5 Cb 0.27 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.58 1n88 n TYR 5 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.86 176.61 1n88 n ASP 6 N 0.00 -0.47 0.00 9.48 8.00 -1.26 -3.61 116.55 128.69 1n88 n ASP 6 Ca 0.00 0.87 0.00 0.00 0.71 0.00 0.00 54.79 56.37 1n88 n ASP 6 Cb 0.00 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 1n88 n ASP 6 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1n88 n VAL 7 N -4.65 0.00 -2.98 2.53 0.31 -1.26 -2.55 118.33 109.73 1n88 n VAL 7 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.93 1n88 n VAL 7 Cb 0.15 -0.34 -0.05 0.00 -0.91 0.00 0.00 33.84 32.68 1n88 n VAL 7 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1n88 s ILE 8 N 0.00 4.74 0.00 2.52 1.01 -1.24 -2.40 121.20 125.83 1n88 s ILE 8 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 60.65 61.35 1n88 s ILE 8 Cb 0.00 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.25 1n88 s ILE 8 CO 0.00 -0.50 0.00 0.18 0.00 0.00 0.00 174.94 174.62 1n88 n LEU 9 N 6.44 0.21 -4.71 2.97 4.32 -0.60 -3.98 117.00 121.65 1n88 n LEU 9 Ca 0.02 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.72 1n88 n LEU 9 Cb 0.48 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.21 1n88 n LEU 9 CO 0.54 0.00 -0.31 0.00 -1.22 0.00 0.00 177.39 176.40 1n88 s ALA 10 N -4.11 3.36 1.12 -1.18 0.00 -1.26 -4.93 121.76 114.77 1n88 s ALA 10 Ca 0.00 -1.13 -0.16 0.00 0.00 0.00 0.00 51.96 50.68 1n88 s ALA 10 Cb 0.00 -1.24 0.23 0.00 0.00 0.00 0.00 23.12 22.11 1n88 s ALA 10 CO 0.00 0.67 1.00 -0.35 0.00 0.00 0.00 175.76 177.09 1n88 n PRO 11 N 0.40 -2.04 -4.89 0.00 -0.04 -1.26 -1.02 135.00 126.14 1n88 n PRO 11 Ca -0.10 -1.58 -0.33 0.00 -0.04 0.00 0.00 63.50 61.45 1n88 n PRO 11 Cb 0.52 -1.27 -0.14 0.00 -0.04 0.00 0.00 33.50 32.57 1n88 n PRO 11 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1n88 s VAL 12 N -3.00 2.88 -0.35 0.52 -7.23 -1.09 -4.60 120.40 107.52 1n88 s VAL 12 Ca 0.61 -0.75 -0.11 0.00 -1.81 0.00 0.00 61.98 59.92 1n88 s VAL 12 Cb -0.04 -2.16 0.01 0.00 0.56 0.00 0.00 36.38 34.75 1n88 s VAL 12 CO 0.45 0.55 0.21 -0.76 -0.31 0.00 0.00 175.10 175.24 1n88 s LEU 13 N -0.01 4.53 -0.29 1.32 2.01 -1.26 -4.79 118.68 120.20 1n88 s LEU 13 Ca -0.05 -0.73 -0.15 0.00 0.01 0.00 0.00 54.13 53.21 1n88 s LEU 13 Cb -0.14 -2.05 0.11 0.00 0.01 0.00 0.00 46.19 44.12 1n88 s LEU 13 CO 0.04 -0.31 0.80 -0.44 1.01 0.00 0.00 176.35 177.46 1n88 s SER 14 N 1.62 -0.79 0.16 2.29 0.01 -1.26 -5.01 113.70 110.72 1n88 s SER 14 Ca 0.04 1.24 -0.29 0.00 1.31 0.00 0.00 55.95 58.25 1n88 s SER 14 Cb -0.18 1.42 -0.03 0.00 0.21 0.00 0.00 66.02 67.44 1n88 s SER 14 CO 0.08 -0.19 1.55 -0.33 0.41 0.00 0.00 173.24 174.75 1n88 h GLU 15 N 6.78 -0.17 0.00 12.44 5.08 -1.98 2.15 114.58 138.88 1n88 h GLU 15 Ca -0.28 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1n88 h GLU 15 Cb 1.20 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1n88 h GLU 15 CO 0.16 -0.11 0.23 -0.22 -1.00 0.00 0.00 179.01 178.07 1n88 h LYS 16 N -0.18 0.00 0.01 2.33 1.63 -2.01 -2.05 116.57 116.30 1n88 h LYS 16 Ca 0.16 0.00 -0.41 0.00 -0.85 0.00 0.00 60.65 59.55 1n88 h LYS 16 Cb 0.52 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.09 1n88 h LYS 16 CO -0.78 0.00 -2.28 0.00 -3.45 0.00 0.00 179.45 172.93 1n88 n ALA 17 N -1.80 1.15 -0.18 5.00 0.00 0.65 -4.27 120.51 121.06 1n88 n ALA 17 Ca -0.02 -0.97 0.20 0.00 0.00 0.00 0.00 53.44 52.65 1n88 n ALA 17 Cb 0.27 -0.06 0.58 0.00 0.00 0.00 0.00 19.45 20.23 1n88 n ALA 17 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1n88 h TYR 18 N -0.80 0.34 0.00 0.00 0.05 0.14 2.44 116.97 119.14 1n88 h TYR 18 Ca -0.61 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.17 1n88 h TYR 18 Cb 1.62 -0.11 -0.00 0.00 1.01 0.00 0.00 36.73 39.26 1n88 h TYR 18 CO -0.03 0.10 -0.03 0.00 -1.05 0.00 0.00 178.16 177.16 1n88 h ALA 19 N 1.63 1.11 0.00 3.88 0.00 -1.58 2.14 119.26 126.44 1n88 h ALA 19 Ca 0.40 -0.03 -0.37 0.00 0.00 0.00 0.00 54.91 54.92 1n88 h ALA 19 Cb 1.17 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 1n88 h ALA 19 CO -0.10 0.03 -2.40 0.41 0.00 0.00 0.00 179.25 177.19 1n88 n GLY 20 N -0.76 -0.49 0.29 0.00 0.00 0.45 -3.97 105.19 100.71 1n88 n GLY 20 Ca -0.02 -0.20 0.19 0.00 0.00 0.00 0.00 46.02 45.99 1n88 n GLY 20 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1n88 h PHE 21 N 0.00 0.00 -0.24 1.61 3.57 0.44 0.20 116.94 122.51 1n88 h PHE 21 Ca -0.55 0.00 0.00 0.00 3.53 0.00 0.00 57.97 60.95 1n88 h PHE 21 Cb 1.94 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.68 1n88 h PHE 21 CO 0.02 0.00 0.00 0.00 -2.23 0.00 0.00 178.31 176.10 1n88 n ALA 22 N -2.04 2.48 -0.71 2.41 0.00 0.72 -3.99 120.51 119.38 1n88 n ALA 22 Ca -0.01 -0.69 0.07 0.00 0.00 0.00 0.00 53.44 52.81 1n88 n ALA 22 Cb 0.17 -1.01 0.21 0.00 0.00 0.00 0.00 19.45 18.82 1n88 n ALA 22 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1n88 n GLU 23 N 0.75 2.81 0.00 0.00 1.02 0.05 -4.93 120.64 120.35 1n88 n GLU 23 Ca 0.17 -2.54 0.00 0.00 -0.02 0.00 0.00 57.16 54.77 1n88 n GLU 23 Cb 0.43 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1n88 n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n88 n GLY 24 N -0.26 3.15 3.76 0.62 0.00 -1.25 -4.91 105.19 106.30 1n88 n GLY 24 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1n88 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n88 s LYS 25 N -0.41 4.71 -0.23 1.61 1.02 -1.20 -2.31 119.74 122.93 1n88 s LYS 25 Ca 0.00 1.33 0.00 0.00 0.02 0.00 0.00 55.97 57.32 1n88 s LYS 25 Cb 0.00 -3.23 0.06 0.00 -0.52 0.00 0.00 37.83 34.14 1n88 s LYS 25 CO 0.00 0.52 -0.04 0.71 -0.92 0.00 0.00 175.35 175.62 1n88 s TYR 26 N -1.21 2.20 -0.27 3.18 2.02 0.72 -3.46 117.35 120.53 1n88 s TYR 26 Ca 0.40 -1.62 -0.29 0.00 -0.37 0.00 0.00 57.07 55.19 1n88 s TYR 26 Cb -0.24 -1.50 0.01 0.00 -0.40 0.00 0.00 41.96 39.83 1n88 s TYR 26 CO 0.29 -0.75 1.03 0.99 -1.57 0.00 0.00 175.55 175.54 1n88 s THR 27 N 1.46 4.62 0.34 -0.71 2.01 -1.16 0.12 115.64 122.33 1n88 s THR 27 Ca -0.05 1.84 0.09 0.00 0.31 0.00 0.00 61.69 63.88 1n88 s THR 27 Cb -0.19 -4.34 -0.06 0.00 0.01 0.00 0.00 72.50 67.93 1n88 s THR 27 CO -0.06 -0.31 -0.01 -0.36 -0.69 0.00 0.00 174.62 173.18 1n88 s PHE 28 N 3.37 2.51 -0.25 4.92 0.08 0.76 -2.66 117.98 126.72 1n88 s PHE 28 Ca 0.44 -0.46 -0.13 0.00 0.12 0.00 0.00 56.93 56.90 1n88 s PHE 28 Cb -0.14 -1.47 -0.04 0.00 -0.57 0.00 0.00 43.02 40.80 1n88 s PHE 28 CO 0.11 0.50 0.27 -1.58 -0.10 0.00 0.00 175.22 174.41 1n88 s TRP 29 N -2.54 3.29 0.06 0.36 0.23 -0.19 -0.02 118.94 120.13 1n88 s TRP 29 Ca 0.34 0.33 -0.07 0.00 -2.03 0.00 0.00 56.10 54.67 1n88 s TRP 29 Cb 0.01 -2.41 -0.01 0.00 0.03 0.00 0.00 33.47 31.09 1n88 s TRP 29 CO 0.19 -0.06 0.15 0.54 0.96 0.00 0.00 176.95 178.73 1n88 s VAL 30 N 1.47 0.14 0.63 4.03 0.11 0.33 -1.55 120.40 125.56 1n88 s VAL 30 Ca 0.12 -1.14 -0.18 0.00 -2.93 0.00 0.00 61.98 57.84 1n88 s VAL 30 Cb -0.15 -1.14 -0.02 0.00 -1.53 0.00 0.00 36.38 33.54 1n88 s VAL 30 CO 0.08 -0.63 1.25 1.57 -3.33 0.00 0.00 175.10 174.04 1n88 n HIS 31 N 0.34 1.81 -1.45 1.54 -0.00 -1.01 0.13 115.22 116.58 1n88 n HIS 31 Ca -0.17 0.42 -0.41 0.00 0.46 0.00 0.00 57.72 58.02 1n88 n HIS 31 Cb 0.60 -2.26 -0.04 0.00 -0.12 0.00 0.00 29.99 28.17 1n88 n HIS 31 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1n88 n PRO 32 N -1.69 1.90 0.00 1.57 -0.04 -1.26 -2.86 135.00 132.61 1n88 n PRO 32 Ca 0.15 -2.15 0.00 0.00 -0.04 0.00 0.00 63.50 61.46 1n88 n PRO 32 Cb 0.48 -3.12 0.00 0.00 -0.04 0.00 0.00 33.50 30.82 1n88 n PRO 32 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1n88 n LYS 33 N 7.01 0.00 -1.51 0.54 2.85 -1.26 -5.05 118.16 120.73 1n88 n LYS 33 Ca 0.50 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 57.48 1n88 n LYS 33 Cb 0.41 0.00 -0.18 0.00 -0.65 0.00 0.00 35.03 34.61 1n88 n LYS 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1n88 n ALA 34 N 0.00 0.79 -1.42 0.58 0.00 -1.14 -4.76 120.51 114.57 1n88 n ALA 34 Ca 0.00 -0.70 -0.46 0.00 0.00 0.00 0.00 53.44 52.28 1n88 n ALA 34 Cb 0.00 -2.46 -0.02 0.00 0.00 0.00 0.00 19.45 16.97 1n88 n ALA 34 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1n88 n THR 35 N 6.49 1.76 -0.33 0.00 -2.24 -1.26 -4.40 114.28 114.30 1n88 n THR 35 Ca 0.64 -0.50 0.25 0.00 -2.27 0.00 0.00 64.05 62.17 1n88 n THR 35 Cb 0.14 -0.21 0.48 0.00 -2.10 0.00 0.00 70.33 68.65 1n88 n THR 35 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1n88 h LYS 36 N 1.02 0.16 -0.19 -0.78 1.79 -1.96 1.39 116.57 118.00 1n88 h LYS 36 Ca -0.32 -0.01 -0.15 0.00 -2.18 0.00 0.00 60.65 57.98 1n88 h LYS 36 Cb 1.42 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 32.03 1n88 h LYS 36 CO 0.55 0.10 -0.53 1.15 -1.08 0.00 0.00 179.45 179.65 1n88 h THR 37 N 0.16 1.32 -0.77 -0.16 2.02 -1.95 -3.05 112.91 110.48 1n88 h THR 37 Ca 0.74 -1.77 0.03 0.00 0.77 0.00 0.00 66.41 66.19 1n88 h THR 37 Cb 1.79 1.75 -0.05 0.00 -1.74 0.00 0.00 68.15 69.90 1n88 h THR 37 CO -0.70 0.55 0.49 -0.33 0.37 0.00 0.00 175.52 175.89 1n88 h GLU 38 N 0.42 0.92 -0.38 6.66 5.08 0.16 0.48 114.58 127.91 1n88 h GLU 38 Ca 0.01 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1n88 h GLU 38 Cb 1.06 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 1n88 h GLU 38 CO 0.10 0.61 0.26 0.82 -1.00 0.00 0.00 179.01 179.80 1n88 h ILE 39 N 0.95 0.91 -0.30 3.13 2.04 -1.18 0.57 117.51 123.63 1n88 h ILE 39 Ca 0.31 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 66.09 1n88 h ILE 39 Cb 0.03 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1n88 h ILE 39 CO -0.12 0.04 0.13 0.50 0.00 0.00 0.00 178.15 178.70 1n88 h LYS 40 N 0.20 0.44 -0.08 2.37 3.64 -0.89 -2.85 116.57 119.41 1n88 h LYS 40 Ca 0.17 -0.08 -0.17 0.00 -1.27 0.00 0.00 60.65 59.31 1n88 h LYS 40 Cb 0.42 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1n88 h LYS 40 CO -0.03 0.44 -0.68 -0.91 -2.27 0.00 0.00 179.45 176.00 1n88 h ASN 41 N 0.34 0.40 -0.09 4.20 2.35 -0.92 -1.85 115.58 120.00 1n88 h ASN 41 Ca 0.10 -0.25 0.02 0.00 -0.55 0.00 0.00 56.30 55.62 1n88 h ASN 41 Cb 0.16 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1n88 h ASN 41 CO -0.01 0.96 -0.04 0.00 -1.65 0.00 0.00 177.43 176.69 1n88 h ALA 42 N 1.03 0.04 0.03 -0.83 0.00 -0.77 -1.61 119.26 117.16 1n88 h ALA 42 Ca -0.02 0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 1n88 h ALA 42 Cb 1.23 0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.13 1n88 h ALA 42 CO 0.11 -0.51 -1.03 -0.39 0.00 0.00 0.00 179.25 177.44 1n88 h VAL 43 N -0.03 1.39 -0.47 0.00 -1.51 -1.56 -3.03 116.25 111.03 1n88 h VAL 43 Ca 0.05 -2.50 0.09 0.00 -1.23 0.00 0.00 66.70 63.10 1n88 h VAL 43 Cb 0.11 2.51 -0.03 0.00 -2.13 0.00 0.00 31.29 31.75 1n88 h VAL 43 CO -0.11 0.75 0.32 -0.33 -1.23 0.00 0.00 177.57 176.97 1n88 h GLU 44 N 0.23 0.26 0.05 5.19 4.39 -1.13 1.37 114.58 124.95 1n88 h GLU 44 Ca -0.10 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.46 1n88 h GLU 44 Cb 1.68 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 30.28 1n88 h GLU 44 CO 0.18 0.17 -0.51 1.79 -1.16 0.00 0.00 179.01 179.48 1n88 h THR 45 N 0.27 1.54 0.00 1.13 1.35 -1.29 -1.83 112.91 114.08 1n88 h THR 45 Ca 0.21 -2.26 -0.03 0.00 -0.55 0.00 0.00 66.41 63.78 1n88 h THR 45 Cb 0.50 2.98 -0.00 0.00 -1.73 0.00 0.00 68.15 69.90 1n88 h THR 45 CO -0.04 0.63 -0.26 0.00 -0.25 0.00 0.00 175.52 175.60 1n88 h ALA 46 N 0.17 0.04 0.00 6.62 0.00 -1.30 -3.35 119.26 121.44 1n88 h ALA 46 Ca -0.08 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1n88 h ALA 46 Cb 1.32 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 1n88 h ALA 46 CO 0.10 0.18 -0.08 0.74 0.00 0.00 0.00 179.25 180.19 1n88 h PHE 47 N -1.00 0.00 -6.38 0.00 0.04 0.16 -3.46 116.94 106.29 1n88 h PHE 47 Ca -0.05 0.00 -0.48 0.00 2.80 0.00 0.00 57.97 60.24 1n88 h PHE 47 Cb 0.57 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.66 1n88 h PHE 47 CO 0.06 0.08 -0.82 1.63 -0.60 0.00 0.00 178.31 178.66 1n88 n LYS 48 N -3.19 -4.46 -0.42 1.51 4.76 -0.69 -4.95 118.16 110.73 1n88 n LYS 48 Ca 0.01 0.52 0.00 0.00 -2.87 0.00 0.00 58.31 55.96 1n88 n LYS 48 Cb 0.37 -5.13 0.00 0.00 -1.84 0.00 0.00 35.03 28.43 1n88 n LYS 48 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 1n88 n VAL 49 N -4.48 0.00 -3.97 -0.18 3.14 -1.26 -5.04 118.33 106.54 1n88 n VAL 49 Ca -0.11 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 60.94 1n88 n VAL 49 Cb 0.59 -0.24 -0.14 0.00 -1.06 0.00 0.00 33.84 32.99 1n88 n VAL 49 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1n88 s LYS 50 N 0.65 2.23 -0.22 1.45 2.36 -1.26 -4.78 119.74 120.17 1n88 s LYS 50 Ca 0.00 -1.40 -0.29 0.00 -2.55 0.00 0.00 55.97 51.73 1n88 s LYS 50 Cb 0.00 -3.10 0.00 0.00 -1.05 0.00 0.00 37.83 33.69 1n88 s LYS 50 CO 0.00 -0.66 1.12 0.08 1.55 0.00 0.00 175.35 177.44 1n88 s VAL 51 N 1.15 4.53 -0.47 4.02 1.01 -1.26 -3.05 120.40 126.33 1n88 s VAL 51 Ca -0.04 1.84 0.14 0.00 0.00 0.00 0.00 61.98 63.92 1n88 s VAL 51 Cb -0.20 -4.22 -0.17 0.00 0.00 0.00 0.00 36.38 31.80 1n88 s VAL 51 CO -0.04 -0.19 0.50 0.55 0.00 0.00 0.00 175.10 175.92 1n88 n VAL 52 N 5.40 0.00 -3.43 2.92 3.14 -0.05 -4.90 118.33 121.41 1n88 n VAL 52 Ca 0.13 -0.22 0.01 0.00 -2.96 0.00 0.00 64.34 61.30 1n88 n VAL 52 Cb 0.46 0.77 -0.05 0.00 -1.06 0.00 0.00 33.84 33.96 1n88 n VAL 52 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1n88 s LYS 53 N -2.47 0.21 -0.08 1.45 1.02 -1.11 -4.98 119.74 113.79 1n88 s LYS 53 Ca 0.02 0.47 0.04 0.00 0.02 0.00 0.00 55.97 56.52 1n88 s LYS 53 Cb 0.10 0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.63 1n88 s LYS 53 CO 0.56 -0.06 -0.19 0.08 -0.92 0.00 0.00 175.35 174.81 1n88 s VAL 54 N 1.94 1.68 -0.15 3.17 1.01 -1.26 0.11 120.40 126.90 1n88 s VAL 54 Ca -0.04 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 1n88 s VAL 54 Cb -0.04 -1.46 0.04 0.00 0.00 0.00 0.00 36.38 34.92 1n88 s VAL 54 CO -0.16 0.47 -0.03 0.20 0.00 0.00 0.00 175.10 175.59 1n88 s ASN 55 N 0.36 2.55 0.05 3.32 -0.87 0.49 -4.88 114.94 115.95 1n88 s ASN 55 Ca -0.14 -0.55 0.07 0.00 -1.57 0.00 0.00 52.86 50.67 1n88 s ASN 55 Cb -0.16 -0.77 -0.03 0.00 -0.02 0.00 0.00 41.25 40.26 1n88 s ASN 55 CO 0.06 -0.20 -0.15 0.28 -2.57 0.00 0.00 177.10 174.52 1n88 s THR 56 N 1.73 3.02 0.12 1.60 -1.32 -1.25 0.27 115.64 119.82 1n88 s THR 56 Ca 0.02 -1.15 0.07 0.00 -1.21 0.00 0.00 61.69 59.41 1n88 s THR 56 Cb -0.15 -2.31 -0.04 0.00 -1.51 0.00 0.00 72.50 68.49 1n88 s THR 56 CO -0.07 0.30 -0.16 -1.48 -2.21 0.00 0.00 174.62 170.99 1n88 s LEU 57 N -1.60 2.38 -0.09 9.08 0.05 0.52 -4.91 118.68 124.11 1n88 s LEU 57 Ca 0.16 -0.78 -0.29 0.00 0.05 0.00 0.00 54.13 53.27 1n88 s LEU 57 Cb -0.11 -0.65 -0.05 0.00 -2.05 0.00 0.00 46.19 43.33 1n88 s LEU 57 CO 0.07 -0.08 1.72 -2.28 -0.55 0.00 0.00 176.35 175.23 1n88 s HIS 58 N -1.86 1.87 -0.25 3.48 5.65 -1.26 -1.19 115.29 121.73 1n88 s HIS 58 Ca 0.08 0.21 -0.08 0.00 0.25 0.00 0.00 55.06 55.52 1n88 s HIS 58 Cb -0.06 -3.97 -0.04 0.00 -1.18 0.00 0.00 32.58 27.33 1n88 s HIS 58 CO 0.04 -3.88 0.11 0.08 -0.65 0.00 0.00 174.74 170.44 1n88 s VAL 59 N 4.59 4.69 -0.10 0.89 1.01 -0.50 -4.89 120.40 126.10 1n88 s VAL 59 Ca 0.76 -0.04 -0.00 0.00 0.00 0.00 0.00 61.98 62.70 1n88 s VAL 59 Cb -0.33 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 32.88 1n88 s VAL 59 CO 0.31 0.33 -0.07 -0.13 0.00 0.00 0.00 175.10 175.54 1n88 s ARG 60 N 1.50 1.38 0.48 2.72 1.81 -1.26 -3.30 118.95 122.27 1n88 s ARG 60 Ca 0.06 -0.22 0.00 0.00 -1.72 0.00 0.00 55.73 53.86 1n88 s ARG 60 Cb -0.15 -1.43 0.00 0.00 -0.45 0.00 0.00 34.95 32.92 1n88 s ARG 60 CO 0.06 -0.22 0.00 0.41 -0.68 0.00 0.00 175.30 174.87 1n88 n GLY 61 N 4.75 -0.47 0.00 -3.53 0.00 -1.22 -4.75 105.19 99.97 1n88 n GLY 61 Ca -0.14 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1n88 n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n88 n LYS 62 N -1.18 3.35 -2.75 1.61 4.76 -1.26 -4.94 118.16 117.75 1n88 n LYS 62 Ca 0.00 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.36 1n88 n LYS 62 Cb 0.10 -0.94 0.06 0.00 -1.84 0.00 0.00 35.03 32.41 1n88 n LYS 62 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1n88 n LYS 63 N -1.84 0.80 -1.11 1.97 3.00 -1.26 -5.14 118.16 114.58 1n88 n LYS 63 Ca 0.00 -1.73 0.12 0.00 -0.00 0.00 0.00 58.31 56.70 1n88 n LYS 63 Cb 0.44 -1.38 -0.04 0.00 0.00 0.00 0.00 35.03 34.04 1n88 n LYS 63 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1n88 n LYS 64 N 1.47 -2.05 0.00 1.64 5.02 -1.26 -4.80 118.16 118.18 1n88 n LYS 64 Ca 0.08 1.51 0.00 0.00 -2.02 0.00 0.00 58.31 57.88 1n88 n LYS 64 Cb 0.64 -2.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.05 1n88 n LYS 64 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1n88 n ARG 65 N -3.44 4.28 -4.22 1.97 1.85 -1.26 -4.58 116.66 111.26 1n88 n ARG 65 Ca -0.02 -0.03 -0.33 0.00 -1.00 0.00 0.00 57.85 56.47 1n88 n ARG 65 Cb 0.62 -0.39 -0.07 0.00 -1.05 0.00 0.00 32.46 31.57 1n88 n ARG 65 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1n88 n LEU 66 N -0.62 -1.03 -4.39 2.89 7.99 -1.26 0.57 117.00 121.15 1n88 n LEU 66 Ca 0.00 -1.25 -0.36 0.00 -0.01 0.00 0.00 56.01 54.39 1n88 n LEU 66 Cb 0.01 -1.69 -0.08 0.00 -0.11 0.00 0.00 43.42 41.55 1n88 n LEU 66 CO 0.00 0.52 -0.28 0.61 -1.51 0.00 0.00 177.39 176.73 1n88 n GLY 67 N -2.42 -0.28 2.74 -0.72 0.00 -1.26 -4.87 105.19 98.39 1n88 n GLY 67 Ca -0.29 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 1n88 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1n88 n ARG 68 N -4.33 0.69 -3.07 1.61 1.85 0.19 -5.09 116.66 108.51 1n88 n ARG 68 Ca -0.09 -1.99 -0.45 0.00 -1.00 0.00 0.00 57.85 54.32 1n88 n ARG 68 Cb 0.57 2.12 -0.03 0.00 -1.05 0.00 0.00 32.46 34.07 1n88 n ARG 68 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 177.63 177.15 1n88 s TYR 69 N -3.54 3.24 -0.28 2.89 5.04 -1.26 -4.67 117.35 118.77 1n88 s TYR 69 Ca 0.18 -1.42 0.20 0.00 -2.44 0.00 0.00 57.07 53.59 1n88 s TYR 69 Cb -0.02 -4.10 0.48 0.00 0.35 0.00 0.00 41.96 38.66 1n88 s TYR 69 CO 0.13 -1.32 1.25 -0.11 -1.34 0.00 0.00 175.55 174.16 1n88 n LEU 70 N 5.87 0.60 0.00 6.97 7.94 -1.26 -4.94 117.00 132.18 1n88 n LEU 70 Ca 0.13 -3.07 0.00 0.00 -1.11 0.00 0.00 56.01 51.95 1n88 n LEU 70 Cb 0.47 0.35 0.00 0.00 0.53 0.00 0.00 43.42 44.77 1n88 n LEU 70 CO 0.48 1.25 0.00 0.61 -1.11 0.00 0.00 177.39 178.62 1n88 n GLY 71 N -0.89 3.37 3.36 -3.96 0.00 -1.26 -4.63 105.19 101.18 1n88 n GLY 71 Ca -0.01 -0.85 0.11 0.00 0.00 0.00 0.00 46.02 45.27 1n88 n GLY 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n88 n LYS 72 N 0.00 -1.58 -3.35 1.61 5.02 -1.26 -4.70 118.16 113.90 1n88 n LYS 72 Ca 0.00 1.04 -0.26 0.00 -2.02 0.00 0.00 58.31 57.07 1n88 n LYS 72 Cb 0.00 -1.92 -0.09 0.00 -0.02 0.00 0.00 35.03 32.99 1n88 n LYS 72 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1n88 n ARG 73 N -3.01 0.27 0.00 1.97 0.63 -1.26 -3.37 116.66 111.89 1n88 n ARG 73 Ca 0.01 -3.16 0.00 0.00 -0.92 0.00 0.00 57.85 53.78 1n88 n ARG 73 Cb 0.36 -1.59 0.00 0.00 0.45 0.00 0.00 32.46 31.67 1n88 n ARG 73 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1n88 n PRO 74 N 2.61 0.26 -3.79 -0.14 -0.04 -1.26 -4.79 135.00 127.85 1n88 n PRO 74 Ca 0.28 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.40 1n88 n PRO 74 Cb 0.49 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.84 1n88 n PRO 74 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1n88 s ASP 75 N -1.15 4.95 0.13 3.54 1.11 -1.26 -4.62 116.67 119.37 1n88 s ASP 75 Ca 0.00 -2.99 0.09 0.00 0.18 0.00 0.00 52.55 49.82 1n88 s ASP 75 Cb 0.00 -1.78 -0.04 0.00 1.07 0.00 0.00 42.92 42.17 1n88 s ASP 75 CO 0.00 -0.30 -0.21 0.00 1.18 0.00 0.00 175.17 175.83 1n88 s ARG 76 N -0.27 1.22 -0.03 8.23 3.03 -1.21 -4.50 118.95 125.42 1n88 s ARG 76 Ca 0.18 -1.26 0.06 0.00 2.03 0.00 0.00 55.73 56.73 1n88 s ARG 76 Cb -0.21 -1.47 -0.01 0.00 -1.03 0.00 0.00 34.95 32.23 1n88 s ARG 76 CO -0.03 0.33 -0.21 0.21 -1.13 0.00 0.00 175.30 174.47 1n88 s LYS 77 N -2.18 1.93 0.02 3.89 2.20 0.12 -1.40 119.74 124.32 1n88 s LYS 77 Ca 0.10 -0.75 -0.01 0.00 -0.36 0.00 0.00 55.97 54.96 1n88 s LYS 77 Cb -0.09 -1.75 -0.04 0.00 -1.51 0.00 0.00 37.83 34.44 1n88 s LYS 77 CO 0.05 0.38 0.17 0.15 -0.36 0.00 0.00 175.35 175.74 1n88 s LYS 78 N -0.26 3.34 -0.08 4.03 1.02 -0.33 0.12 119.74 127.58 1n88 s LYS 78 Ca 0.02 -0.42 -0.01 0.00 0.02 0.00 0.00 55.97 55.59 1n88 s LYS 78 Cb -0.10 -3.01 0.03 0.00 -0.52 0.00 0.00 37.83 34.22 1n88 s LYS 78 CO 0.01 0.64 -0.03 0.00 -0.92 0.00 0.00 175.35 175.05 1n88 s ALA 79 N -1.38 0.89 -0.39 5.17 0.00 0.96 -0.36 121.76 126.66 1n88 s ALA 79 Ca 0.29 -0.24 -0.15 0.00 0.00 0.00 0.00 51.96 51.86 1n88 s ALA 79 Cb -0.13 -0.73 0.01 0.00 0.00 0.00 0.00 23.12 22.27 1n88 s ALA 79 CO 0.21 -0.36 0.34 0.42 0.00 0.00 0.00 175.76 176.38 1n88 s ILE 80 N 1.69 5.20 -0.22 0.00 1.09 0.76 0.27 121.20 129.98 1n88 s ILE 80 Ca 0.02 -0.39 -0.06 0.00 -1.10 0.00 0.00 60.65 59.11 1n88 s ILE 80 Cb -0.13 -3.91 -0.03 0.00 -1.06 0.00 0.00 42.46 37.34 1n88 s ILE 80 CO -0.05 -0.26 0.03 -0.69 -0.10 0.00 0.00 174.94 173.88 1n88 s VAL 81 N 1.86 4.12 -0.05 2.92 1.01 0.33 0.18 120.40 130.78 1n88 s VAL 81 Ca 0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 1n88 s VAL 81 Cb -0.18 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 1n88 s VAL 81 CO 0.11 0.39 0.07 -1.58 0.00 0.00 0.00 175.10 174.09 1n88 s GLN 82 N 1.31 3.11 0.21 2.72 2.00 0.30 0.26 119.66 129.56 1n88 s GLN 82 Ca 0.04 -0.40 0.07 0.00 -2.00 0.00 0.00 55.36 53.08 1n88 s GLN 82 Cb -0.15 -2.90 -0.04 0.00 0.80 0.00 0.00 33.01 30.73 1n88 s GLN 82 CO 0.02 0.69 0.05 0.14 -0.50 0.00 0.00 175.29 175.69 1n88 s VAL 83 N -1.07 3.89 1.17 1.34 -7.23 -0.98 -0.87 120.40 116.65 1n88 s VAL 83 Ca 0.19 -1.49 -0.19 0.00 -1.81 0.00 0.00 61.98 58.67 1n88 s VAL 83 Cb -0.12 -3.02 0.28 0.00 0.56 0.00 0.00 36.38 34.08 1n88 s VAL 83 CO 0.09 -0.22 1.16 0.00 -0.31 0.00 0.00 175.10 175.82 1n88 s ALA 84 N -1.95 0.95 0.30 1.32 0.00 -1.17 -4.79 121.76 116.41 1n88 s ALA 84 Ca 0.30 -1.08 -0.29 0.00 0.00 0.00 0.00 51.96 50.89 1n88 s ALA 84 Cb -0.08 -2.83 -0.10 0.00 0.00 0.00 0.00 23.12 20.11 1n88 s ALA 84 CO 0.21 -3.41 1.13 -1.25 0.00 0.00 0.00 175.76 172.44 1n88 s PRO 85 N -5.57 4.55 0.00 0.00 0.04 -1.26 -3.38 135.00 129.38 1n88 s PRO 85 Ca 0.72 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.62 1n88 s PRO 85 Cb -0.07 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1n88 s PRO 85 CO 0.55 0.12 0.00 0.41 0.04 0.00 0.00 177.00 178.12 1n88 n GLY 86 N 1.07 2.05 3.85 0.56 0.00 -1.26 -5.05 105.19 106.41 1n88 n GLY 86 Ca -0.01 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 1n88 n GLY 86 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1n88 s GLN 87 N 0.00 2.26 0.00 1.61 0.00 -1.22 -5.14 119.66 117.17 1n88 s GLN 87 Ca 0.00 -2.02 0.00 0.00 -0.00 0.00 0.00 55.36 53.34 1n88 s GLN 87 Cb 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 33.01 31.02 1n88 s GLN 87 CO 0.00 -0.45 0.00 1.63 0.00 0.00 0.00 175.29 176.47 1n88 n LYS 88 N -1.56 0.00 -0.56 9.60 4.76 -1.26 -4.86 118.16 124.28 1n88 n LYS 88 Ca -0.04 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.22 1n88 n LYS 88 Cb 0.65 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.82 1n88 n LYS 88 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1n88 n ILE 89 N 0.00 1.68 0.10 -0.18 5.41 -1.26 -4.55 119.36 120.57 1n88 n ILE 89 Ca 0.00 -1.04 0.06 0.00 1.00 0.00 0.00 62.75 62.78 1n88 n ILE 89 Cb 0.00 -1.97 0.35 0.00 -0.71 0.00 0.00 39.64 37.31 1n88 n ILE 89 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1n88 n GLU 90 N 4.68 0.08 0.22 0.38 0.28 -1.26 -2.33 120.64 122.69 1n88 n GLU 90 Ca 0.33 0.56 0.11 0.00 -0.16 0.00 0.00 57.16 58.00 1n88 n GLU 90 Cb 0.12 -1.83 0.58 0.00 1.43 0.00 0.00 31.44 31.74 1n88 n GLU 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1n88 h ALA 91 N 1.82 1.19 0.00 -1.84 0.00 -2.00 0.76 119.26 119.20 1n88 h ALA 91 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1n88 h ALA 91 Cb 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1n88 h ALA 91 CO 0.00 -0.19 -1.78 1.28 0.00 0.00 0.00 179.25 178.56 1n88 n LEU 92 N -2.39 0.00 0.33 0.00 4.77 -0.99 -4.26 117.00 114.46 1n88 n LEU 92 Ca -0.01 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.13 1n88 n LEU 92 Cb 0.27 0.11 0.86 0.00 -2.33 0.00 0.00 43.42 42.34 1n88 n LEU 92 CO 0.09 0.11 1.12 -0.33 -1.33 0.00 0.00 177.39 177.06 1n88 h GLU 93 N 0.00 0.00 0.00 3.23 4.39 -1.00 0.14 114.58 121.34 1n88 h GLU 93 Ca -0.12 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1n88 h GLU 93 Cb 1.07 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1n88 h GLU 93 CO 0.01 0.00 -1.85 0.41 -1.16 0.00 0.00 179.01 176.42 1n88 n GLY 94 N -1.20 -0.85 0.44 -3.84 0.00 -1.24 -4.36 105.19 94.14 1n88 n GLY 94 Ca -0.02 -0.44 0.21 0.00 0.00 0.00 0.00 46.02 45.77 1n88 n GLY 94 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1n88 h LEU 95 N 0.00 0.00 0.00 0.99 5.85 -0.89 -3.53 115.31 117.73 1n88 h LEU 95 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1n88 h LEU 95 Cb 0.87 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.90 1n88 h LEU 95 CO 0.00 0.00 0.00 -0.38 -0.34 0.00 0.00 178.44 177.72