#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 0.20 0.00 3.17 4.76 -1.26 -4.17 118.16 120.86 1n88 n LYS 2 Ca 0.00 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 1n88 n LYS 2 Cb 0.00 -1.85 0.00 0.00 -1.84 0.00 0.00 35.03 31.34 1n88 n LYS 2 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1n88 n THR 3 N 7.32 0.00 -1.46 -0.18 -1.04 -1.26 0.56 114.28 118.23 1n88 n THR 3 Ca 0.61 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.50 1n88 n THR 3 Cb 0.15 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.57 1n88 n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n88 n ALA 4 N 0.00 0.28 -2.67 2.41 0.00 -1.26 -3.85 120.51 115.42 1n88 n ALA 4 Ca 0.00 -1.88 -0.07 0.00 0.00 0.00 0.00 53.44 51.49 1n88 n ALA 4 Cb 0.00 -2.74 -0.02 0.00 0.00 0.00 0.00 19.45 16.69 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 16.47 -0.26 -3.02 0.00 4.11 -1.13 0.26 117.16 133.58 1n88 n TYR 5 Ca 0.34 0.13 -0.13 0.00 -0.00 0.00 0.00 57.90 58.24 1n88 n TYR 5 Cb 0.47 -0.53 0.06 0.00 -0.00 0.00 0.00 39.34 39.34 1n88 n TYR 5 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 1n88 n ASP 6 N -0.23 -2.96 0.00 9.48 2.03 0.19 -4.80 116.55 120.26 1n88 n ASP 6 Ca -0.04 -0.49 0.00 0.00 0.52 0.00 0.00 54.79 54.78 1n88 n ASP 6 Cb 0.13 -4.05 0.00 0.00 -0.72 0.00 0.00 41.12 36.48 1n88 n ASP 6 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1n88 n VAL 7 N -3.24 0.00 -1.09 5.18 0.31 0.71 -4.63 118.33 115.57 1n88 n VAL 7 Ca -0.18 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.81 1n88 n VAL 7 Cb 0.62 0.00 0.11 0.00 -0.91 0.00 0.00 33.84 33.66 1n88 n VAL 7 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1n88 n ILE 8 N 0.00 1.58 0.00 2.52 5.41 -1.26 -4.06 119.36 123.55 1n88 n ILE 8 Ca 0.00 -0.26 0.00 0.00 1.00 0.00 0.00 62.75 63.49 1n88 n ILE 8 Cb 0.00 -0.96 0.00 0.00 -0.71 0.00 0.00 39.64 37.97 1n88 n ILE 8 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1n88 n LEU 9 N -2.09 0.00 -4.70 1.39 4.77 -0.45 -4.11 117.00 111.80 1n88 n LEU 9 Ca 0.11 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.79 1n88 n LEU 9 Cb 0.51 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 1n88 n LEU 9 CO 0.49 0.00 -0.32 0.00 -1.33 0.00 0.00 177.39 176.23 1n88 s ALA 10 N -1.82 3.34 1.02 -1.18 0.00 -1.26 -4.80 121.76 117.05 1n88 s ALA 10 Ca 0.00 -1.09 -0.15 0.00 0.00 0.00 0.00 51.96 50.72 1n88 s ALA 10 Cb 0.00 -1.24 0.20 0.00 0.00 0.00 0.00 23.12 22.08 1n88 s ALA 10 CO 0.00 0.71 1.15 -1.25 0.00 0.00 0.00 175.76 176.37 1n88 s PRO 11 N -2.30 0.22 -0.06 0.00 0.04 -1.26 0.16 135.00 131.80 1n88 s PRO 11 Ca 0.26 0.11 0.02 0.00 0.04 0.00 0.00 61.00 61.43 1n88 s PRO 11 Cb -0.12 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 1n88 s PRO 11 CO 0.19 -2.79 -0.12 0.14 0.04 0.00 0.00 177.00 174.46 1n88 s VAL 12 N -3.24 3.29 -0.36 -0.36 -7.23 -1.20 -4.74 120.40 106.56 1n88 s VAL 12 Ca 0.68 -0.63 -0.12 0.00 -1.81 0.00 0.00 61.98 60.10 1n88 s VAL 12 Cb -0.12 -2.32 0.01 0.00 0.56 0.00 0.00 36.38 34.51 1n88 s VAL 12 CO 0.55 0.59 0.22 -0.76 -0.31 0.00 0.00 175.10 175.39 1n88 s LEU 13 N -0.69 4.62 -0.27 1.32 2.01 -1.26 -4.77 118.68 119.64 1n88 s LEU 13 Ca 0.10 -0.77 -0.23 0.00 0.01 0.00 0.00 54.13 53.24 1n88 s LEU 13 Cb -0.11 -2.07 0.09 0.00 0.01 0.00 0.00 46.19 44.11 1n88 s LEU 13 CO 0.01 -0.33 0.79 -0.94 1.01 0.00 0.00 176.35 176.89 1n88 s SER 14 N 1.62 -0.71 0.25 2.29 1.04 -1.26 -5.01 113.70 111.92 1n88 s SER 14 Ca 0.04 1.32 -0.10 0.00 0.48 0.00 0.00 55.95 57.68 1n88 s SER 14 Cb -0.18 1.33 0.37 0.00 0.10 0.00 0.00 66.02 67.63 1n88 s SER 14 CO 0.08 -0.22 1.59 -0.08 0.98 0.00 0.00 173.24 175.58 1n88 h GLU 15 N 5.19 -0.00 -0.50 4.02 4.22 -1.98 0.44 114.58 125.96 1n88 h GLU 15 Ca -0.29 0.00 0.07 0.00 0.08 0.00 0.00 59.36 59.22 1n88 h GLU 15 Cb 1.18 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 1n88 h GLU 15 CO 0.08 -0.00 0.16 0.87 -2.18 0.00 0.00 179.01 177.94 1n88 h LYS 16 N -0.00 0.32 0.60 1.92 1.79 -1.98 -0.98 116.57 118.23 1n88 h LYS 16 Ca 0.41 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.83 1n88 h LYS 16 Cb 0.62 -0.07 0.01 0.00 -1.58 0.00 0.00 32.23 31.21 1n88 h LYS 16 CO -0.88 0.21 -0.29 0.00 -1.08 0.00 0.00 179.45 177.41 1n88 h ALA 17 N 1.35 -0.82 -1.38 3.86 0.00 -0.66 0.03 119.26 121.63 1n88 h ALA 17 Ca 0.25 -0.18 0.40 0.00 0.00 0.00 0.00 54.91 55.38 1n88 h ALA 17 Cb 0.28 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1n88 h ALA 17 CO -0.27 -0.76 1.07 1.88 0.00 0.00 0.00 179.25 181.17 1n88 h TYR 18 N -1.18 0.00 0.00 0.00 0.05 -0.52 2.56 116.97 117.88 1n88 h TYR 18 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.70 1n88 h TYR 18 Cb 0.61 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.35 1n88 h TYR 18 CO 0.01 0.00 -1.04 0.00 -1.05 0.00 0.00 178.16 176.08 1n88 n ALA 19 N -2.72 2.62 -0.08 3.88 0.00 -0.38 -3.02 120.51 120.80 1n88 n ALA 19 Ca 0.30 -0.26 -0.20 0.00 0.00 0.00 0.00 53.44 53.29 1n88 n ALA 19 Cb 1.51 -1.08 -0.13 0.00 0.00 0.00 0.00 19.45 19.75 1n88 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n88 n GLY 20 N 1.21 -0.45 0.20 0.00 0.00 0.70 -4.03 105.19 102.83 1n88 n GLY 20 Ca 0.00 -0.21 0.14 0.00 0.00 0.00 0.00 46.02 45.96 1n88 n GLY 20 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1n88 h PHE 21 N -0.03 0.00 -0.02 1.61 -0.00 0.32 -2.86 116.94 115.96 1n88 h PHE 21 Ca -0.52 0.00 0.01 0.00 -0.00 0.00 0.00 57.97 57.45 1n88 h PHE 21 Cb 1.93 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.88 1n88 h PHE 21 CO 0.05 0.00 0.09 0.00 -0.00 0.00 0.00 178.31 178.44 1n88 h ALA 22 N 2.14 1.21 -0.27 12.09 0.00 -1.66 0.29 119.26 133.06 1n88 h ALA 22 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n88 h ALA 22 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1n88 h ALA 22 CO 0.00 -0.10 0.00 -1.91 0.00 0.00 0.00 179.25 177.24 1n88 n GLU 23 N -3.21 2.40 -0.32 0.00 2.13 -1.08 -4.78 120.64 115.79 1n88 n GLU 23 Ca -0.02 -1.29 0.00 0.00 0.66 0.00 0.00 57.16 56.50 1n88 n GLU 23 Cb 0.16 -1.65 0.00 0.00 0.27 0.00 0.00 31.44 30.21 1n88 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1n88 n GLY 24 N 0.49 0.69 3.75 8.31 0.00 0.04 -4.84 105.19 113.64 1n88 n GLY 24 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.68 4.66 -0.28 1.61 1.02 -0.89 -2.75 119.74 122.42 1n88 s LYS 25 Ca 0.00 1.29 0.00 0.00 0.02 0.00 0.00 55.97 57.28 1n88 s LYS 25 Cb 0.00 -3.31 0.08 0.00 -0.52 0.00 0.00 37.83 34.08 1n88 s LYS 25 CO 0.00 0.42 0.04 0.71 -0.92 0.00 0.00 175.35 175.60 1n88 s TYR 26 N -0.68 2.13 0.29 3.18 2.02 0.30 -3.94 117.35 120.65 1n88 s TYR 26 Ca 0.40 -1.83 -0.29 0.00 -0.37 0.00 0.00 57.07 54.98 1n88 s TYR 26 Cb -0.23 -1.79 -0.09 0.00 -0.40 0.00 0.00 41.96 39.45 1n88 s TYR 26 CO 0.28 -0.83 1.08 0.99 -1.57 0.00 0.00 175.55 175.50 1n88 s THR 27 N 1.48 3.58 0.19 -0.71 2.01 -1.18 0.54 115.64 121.56 1n88 s THR 27 Ca 0.05 1.53 0.02 0.00 0.31 0.00 0.00 61.69 63.59 1n88 s THR 27 Cb -0.18 -3.95 -0.05 0.00 0.01 0.00 0.00 72.50 68.34 1n88 s THR 27 CO -0.15 0.32 0.02 -0.36 -0.69 0.00 0.00 174.62 173.76 1n88 s PHE 28 N -1.24 1.30 -0.26 4.92 0.08 0.47 -3.25 117.98 120.00 1n88 s PHE 28 Ca 0.46 -1.05 -0.12 0.00 0.12 0.00 0.00 56.93 56.35 1n88 s PHE 28 Cb -0.30 -0.74 -0.05 0.00 -0.57 0.00 0.00 43.02 41.36 1n88 s PHE 28 CO 0.38 -0.23 0.22 -1.58 -0.10 0.00 0.00 175.22 173.91 1n88 s TRP 29 N -3.67 3.27 0.17 0.36 0.23 0.12 0.12 118.94 119.55 1n88 s TRP 29 Ca 0.27 0.24 -0.09 0.00 -2.03 0.00 0.00 56.10 54.49 1n88 s TRP 29 Cb 0.06 -2.38 -0.01 0.00 0.03 0.00 0.00 33.47 31.18 1n88 s TRP 29 CO 0.06 -0.07 0.31 0.54 0.96 0.00 0.00 176.95 178.75 1n88 s VAL 30 N 1.50 0.06 0.71 4.03 0.11 -1.07 -1.35 120.40 124.40 1n88 s VAL 30 Ca 0.09 -1.37 -0.16 0.00 -2.93 0.00 0.00 61.98 57.61 1n88 s VAL 30 Cb -0.15 -1.87 0.03 0.00 -1.53 0.00 0.00 36.38 32.86 1n88 s VAL 30 CO 0.08 -0.26 1.24 -1.00 -3.33 0.00 0.00 175.10 171.83 1n88 s HIS 31 N -3.97 2.00 -1.02 1.54 3.76 -1.26 -3.73 115.29 112.62 1n88 s HIS 31 Ca 0.18 1.57 -0.20 0.00 -0.15 0.00 0.00 55.06 56.46 1n88 s HIS 31 Cb 0.03 -3.56 -0.09 0.00 1.11 0.00 0.00 32.58 30.07 1n88 s HIS 31 CO 0.01 -2.79 2.00 -0.35 -0.85 0.00 0.00 174.74 172.76 1n88 n PRO 32 N -2.53 1.95 0.00 8.40 -0.04 -1.26 -3.02 135.00 138.50 1n88 n PRO 32 Ca 0.14 -2.18 0.00 0.00 -0.04 0.00 0.00 63.50 61.43 1n88 n PRO 32 Cb 0.49 -3.12 0.00 0.00 -0.04 0.00 0.00 33.50 30.83 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 6.97 0.00 -1.51 0.54 2.85 -1.26 -5.06 118.16 120.69 1n88 n LYS 33 Ca 0.50 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 57.46 1n88 n LYS 33 Cb 0.41 0.00 -0.17 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 0.73 -1.11 0.58 0.00 -1.17 -4.80 120.51 114.74 1n88 n ALA 34 Ca 0.00 -0.66 -0.36 0.00 0.00 0.00 0.00 53.44 52.42 1n88 n ALA 34 Cb 0.00 -2.47 0.07 0.00 0.00 0.00 0.00 19.45 17.05 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 6.68 0.85 -0.18 0.00 -2.24 -1.26 -4.56 114.28 113.55 1n88 n THR 35 Ca 0.64 -0.38 0.07 0.00 -2.27 0.00 0.00 64.05 62.10 1n88 n THR 35 Cb 0.14 -0.49 0.36 0.00 -2.10 0.00 0.00 70.33 68.24 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 -0.70 0.72 0.01 -0.78 1.79 -1.90 -1.10 116.57 114.60 1n88 h LYS 36 Ca -0.44 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 57.98 1n88 h LYS 36 Cb 1.34 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 1n88 h LYS 36 CO 0.37 0.48 -0.00 1.15 -1.08 0.00 0.00 179.45 180.36 1n88 h THR 37 N 0.74 1.57 -0.90 -0.16 2.02 -1.91 -3.23 112.91 111.04 1n88 h THR 37 Ca 0.32 -1.76 0.12 0.00 0.77 0.00 0.00 66.41 65.86 1n88 h THR 37 Cb 0.29 2.76 -0.07 0.00 -1.74 0.00 0.00 68.15 69.39 1n88 h THR 37 CO -0.11 0.45 0.58 -0.33 0.37 0.00 0.00 175.52 176.48 1n88 h GLU 38 N -0.76 0.79 -0.28 6.66 5.08 -1.82 0.27 114.58 124.51 1n88 h GLU 38 Ca -0.00 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1n88 h GLU 38 Cb 0.75 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1n88 h GLU 38 CO 0.00 0.52 0.19 0.82 -1.00 0.00 0.00 179.01 179.55 1n88 h ILE 39 N 0.81 0.91 -0.37 3.13 2.04 -1.24 -2.07 117.51 120.72 1n88 h ILE 39 Ca 0.44 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 66.26 1n88 h ILE 39 Cb 0.55 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1n88 h ILE 39 CO -0.20 0.02 0.20 0.50 0.00 0.00 0.00 178.15 178.67 1n88 h LYS 40 N 0.10 0.52 -0.71 2.37 3.64 -0.48 -2.93 116.57 119.09 1n88 h LYS 40 Ca 0.13 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1n88 h LYS 40 Cb 0.37 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 1n88 h LYS 40 CO -0.01 0.43 0.47 -0.91 -2.27 0.00 0.00 179.45 177.16 1n88 h ASN 41 N 0.47 0.74 0.02 4.20 2.35 -1.38 -1.57 115.58 120.42 1n88 h ASN 41 Ca 0.13 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1n88 h ASN 41 Cb 0.07 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1n88 h ASN 41 CO -0.02 0.51 -0.01 0.00 -1.65 0.00 0.00 177.43 176.26 1n88 h ALA 42 N 1.58 -0.02 -0.04 -0.83 0.00 -1.53 -3.03 119.26 115.40 1n88 h ALA 42 Ca 0.28 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1n88 h ALA 42 Cb 0.05 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1n88 h ALA 42 CO -0.08 -0.18 -0.28 -0.39 0.00 0.00 0.00 179.25 178.32 1n88 h VAL 43 N -0.68 1.22 0.21 0.00 -1.51 -1.47 0.18 116.25 114.20 1n88 h VAL 43 Ca -0.00 -1.04 -0.01 0.00 -1.23 0.00 0.00 66.70 64.42 1n88 h VAL 43 Cb 0.65 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 1n88 h VAL 43 CO 0.00 0.30 -0.10 -0.08 -1.23 0.00 0.00 177.57 176.46 1n88 h GLU 44 N 0.06 -0.27 0.00 5.19 4.22 -1.33 0.87 114.58 123.31 1n88 h GLU 44 Ca 0.01 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.47 1n88 h GLU 44 Cb 0.53 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1n88 h GLU 44 CO 0.04 -0.08 0.00 1.15 -2.18 0.00 0.00 179.01 177.94 1n88 h THR 45 N -0.42 0.00 0.00 0.32 2.02 -1.42 -2.08 112.91 111.32 1n88 h THR 45 Ca -0.03 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1n88 h THR 45 Cb 0.32 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1n88 h THR 45 CO 0.05 0.00 -0.57 0.00 0.37 0.00 0.00 175.52 175.37 1n88 n ALA 46 N -1.84 0.50 0.40 6.16 0.00 0.63 -4.39 120.51 121.97 1n88 n ALA 46 Ca 0.05 -0.50 0.13 0.00 0.00 0.00 0.00 53.44 53.12 1n88 n ALA 46 Cb 0.44 0.02 0.51 0.00 0.00 0.00 0.00 19.45 20.42 1n88 n ALA 46 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1n88 h PHE 47 N -0.79 0.00 -5.41 0.00 0.04 0.59 -3.47 116.94 107.90 1n88 h PHE 47 Ca 0.00 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.44 1n88 h PHE 47 Cb 0.57 0.00 0.14 0.00 2.20 0.00 0.00 35.95 38.86 1n88 h PHE 47 CO -0.24 0.00 -0.67 1.63 -0.60 0.00 0.00 178.31 178.43 1n88 n LYS 48 N -2.45 -6.70 -0.58 1.51 4.76 -0.78 -4.86 118.16 109.06 1n88 n LYS 48 Ca 0.02 0.78 0.00 0.00 -2.87 0.00 0.00 58.31 56.24 1n88 n LYS 48 Cb 0.28 -5.62 0.00 0.00 -1.84 0.00 0.00 35.03 27.86 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 -4.32 0.00 -3.99 -0.18 3.14 -1.23 -5.03 118.33 106.72 1n88 n VAL 49 Ca -0.14 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 60.91 1n88 n VAL 49 Cb 0.61 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 33.25 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 0.14 2.05 -0.21 1.45 2.36 -1.26 -4.76 119.74 119.50 1n88 s LYS 50 Ca 0.00 -1.53 -0.29 0.00 -2.55 0.00 0.00 55.97 51.60 1n88 s LYS 50 Cb 0.00 -3.12 0.00 0.00 -1.05 0.00 0.00 37.83 33.66 1n88 s LYS 50 CO 0.00 -0.74 1.13 0.08 1.55 0.00 0.00 175.35 177.37 1n88 s VAL 51 N 1.08 4.52 -1.54 4.02 1.01 -1.26 -2.88 120.40 125.35 1n88 s VAL 51 Ca -0.01 1.83 0.16 0.00 0.00 0.00 0.00 61.98 63.97 1n88 s VAL 51 Cb -0.20 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 32.00 1n88 s VAL 51 CO -0.05 -0.18 0.87 0.55 0.00 0.00 0.00 175.10 176.29 1n88 n VAL 52 N 5.38 0.00 0.00 2.92 3.14 0.55 -4.86 118.33 125.46 1n88 n VAL 52 Ca 0.13 -0.36 0.00 0.00 -2.96 0.00 0.00 64.34 61.15 1n88 n VAL 52 Cb 0.46 1.21 0.00 0.00 -1.06 0.00 0.00 33.84 34.45 1n88 n VAL 52 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1n88 n LYS 53 N 0.03 0.00 -4.31 1.45 -0.00 -1.11 -4.90 118.16 109.33 1n88 n LYS 53 Ca 0.07 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.17 1n88 n LYS 53 Cb 0.34 0.00 -0.16 0.00 -0.00 0.00 0.00 35.03 35.21 1n88 n LYS 53 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1n88 s VAL 54 N -1.79 0.71 -0.14 0.58 1.01 -1.25 0.26 120.40 119.76 1n88 s VAL 54 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 1n88 s VAL 54 Cb 0.00 -0.68 0.04 0.00 0.00 0.00 0.00 36.38 35.74 1n88 s VAL 54 CO 0.00 0.25 -0.03 0.20 0.00 0.00 0.00 175.10 175.53 1n88 s ASN 55 N 0.68 2.49 0.36 3.32 -0.87 0.90 -4.88 114.94 116.94 1n88 s ASN 55 Ca -0.10 -0.52 0.08 0.00 -1.57 0.00 0.00 52.86 50.75 1n88 s ASN 55 Cb -0.13 -0.74 -0.05 0.00 -0.02 0.00 0.00 41.25 40.31 1n88 s ASN 55 CO 0.01 -0.20 0.10 0.42 -2.57 0.00 0.00 177.10 174.86 1n88 s THR 56 N 1.76 2.69 0.35 1.60 -4.23 -1.25 0.27 115.64 116.83 1n88 s THR 56 Ca 0.02 -1.80 0.04 0.00 -1.18 0.00 0.00 61.69 58.77 1n88 s THR 56 Cb -0.15 -2.92 -0.02 0.00 1.34 0.00 0.00 72.50 70.76 1n88 s THR 56 CO -0.07 -0.14 0.37 -0.76 -0.54 0.00 0.00 174.62 173.47 1n88 s LEU 57 N -3.81 1.51 -0.47 4.79 1.43 0.57 -4.91 118.68 117.78 1n88 s LEU 57 Ca 0.37 -1.69 -0.12 0.00 -1.03 0.00 0.00 54.13 51.67 1n88 s LEU 57 Cb 0.00 0.93 0.10 0.00 0.03 0.00 0.00 46.19 47.25 1n88 s LEU 57 CO 0.21 -1.18 0.37 -2.28 0.23 0.00 0.00 176.35 173.70 1n88 s HIS 58 N -3.21 3.33 -0.11 0.29 2.46 -1.26 -1.10 115.29 115.69 1n88 s HIS 58 Ca 0.37 -1.50 -0.01 0.00 0.47 0.00 0.00 55.06 54.39 1n88 s HIS 58 Cb 0.01 -3.37 -0.03 0.00 -0.13 0.00 0.00 32.58 29.07 1n88 s HIS 58 CO 0.26 -0.93 -0.07 0.14 -2.47 0.00 0.00 174.74 171.67 1n88 s VAL 59 N 1.48 3.65 0.28 0.89 -7.23 0.68 -4.92 120.40 115.23 1n88 s VAL 59 Ca 0.04 -0.47 0.03 0.00 -1.81 0.00 0.00 61.98 59.77 1n88 s VAL 59 Cb -0.26 -2.54 -0.06 0.00 0.56 0.00 0.00 36.38 34.09 1n88 s VAL 59 CO 0.02 0.55 0.04 -0.13 -0.31 0.00 0.00 175.10 175.27 1n88 s ARG 60 N -0.17 1.49 0.14 4.82 3.00 -1.26 -2.50 118.95 124.47 1n88 s ARG 60 Ca 0.02 -1.80 -0.31 0.00 0.00 0.00 0.00 55.73 53.64 1n88 s ARG 60 Cb -0.13 -0.66 -0.08 0.00 0.00 0.00 0.00 34.95 34.08 1n88 s ARG 60 CO 0.03 -0.17 1.37 0.20 0.00 0.00 0.00 175.30 176.73 1n88 s GLY 61 N -3.39 2.09 -0.10 -3.53 0.00 -1.26 -4.91 107.32 96.21 1n88 s GLY 61 Ca 0.34 1.12 0.17 0.00 0.00 0.00 0.00 44.72 46.35 1n88 s GLY 61 CO 0.13 2.28 0.36 0.28 0.00 0.00 0.00 173.10 176.16 1n88 n LYS 62 N 3.62 0.66 -0.07 2.90 5.02 -1.26 -4.41 118.16 124.63 1n88 n LYS 62 Ca 0.10 0.07 0.05 0.00 -2.02 0.00 0.00 58.31 56.51 1n88 n LYS 62 Cb 0.42 -1.62 0.06 0.00 -0.02 0.00 0.00 35.03 33.87 1n88 n LYS 62 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1n88 n LYS 63 N -2.77 1.81 -0.34 1.97 5.02 -1.26 -4.76 118.16 117.83 1n88 n LYS 63 Ca -0.22 -1.90 0.36 0.00 -2.02 0.00 0.00 58.31 54.53 1n88 n LYS 63 Cb 1.01 -1.16 0.67 0.00 -0.02 0.00 0.00 35.03 35.53 1n88 n LYS 63 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1n88 h LYS 64 N 0.00 0.00 0.00 1.97 1.63 -1.88 2.11 116.57 120.40 1n88 h LYS 64 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1n88 h LYS 64 Cb 0.82 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.45 1n88 h LYS 64 CO 0.00 0.00 0.00 0.54 -3.45 0.00 0.00 179.45 176.54 1n88 n ARG 65 N -3.72 0.59 -1.37 1.90 3.00 -1.26 -4.16 116.66 111.63 1n88 n ARG 65 Ca 0.28 0.03 -0.45 0.00 -0.01 0.00 0.00 57.85 57.69 1n88 n ARG 65 Cb 1.48 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 32.43 1n88 n ARG 65 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1n88 n LEU 66 N -1.09 -1.62 0.00 0.55 7.94 0.71 -4.49 117.00 119.01 1n88 n LEU 66 Ca 0.15 0.98 0.00 0.00 -1.11 0.00 0.00 56.01 56.03 1n88 n LEU 66 Cb 0.11 -0.96 0.00 0.00 0.53 0.00 0.00 43.42 43.10 1n88 n LEU 66 CO 0.14 -3.38 0.00 0.61 -1.11 0.00 0.00 177.39 173.65 1n88 n GLY 67 N 2.07 -0.42 3.13 -3.96 0.00 -1.26 -4.66 105.19 100.09 1n88 n GLY 67 Ca 0.14 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.16 0.01 -2.16 1.61 1.85 -1.26 -4.73 116.66 110.82 1n88 n ARG 68 Ca 0.00 0.01 -0.43 0.00 -1.00 0.00 0.00 57.85 56.43 1n88 n ARG 68 Cb 0.00 -1.07 -0.02 0.00 -1.05 0.00 0.00 32.46 30.32 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 -2.01 2.14 -0.33 2.89 6.14 -1.26 -4.77 117.35 120.16 1n88 s TYR 69 Ca 0.48 0.62 0.15 0.00 0.64 0.00 0.00 57.07 58.96 1n88 s TYR 69 Cb -0.31 -4.08 0.43 0.00 0.42 0.00 0.00 41.96 38.42 1n88 s TYR 69 CO 0.75 -2.63 1.47 -0.11 0.64 0.00 0.00 175.55 175.67 1n88 n LEU 70 N 8.92 -0.93 -3.36 6.97 -0.00 -1.26 -5.08 117.00 122.26 1n88 n LEU 70 Ca 0.19 -3.19 0.02 0.00 -0.00 0.00 0.00 56.01 53.03 1n88 n LEU 70 Cb 0.46 0.16 -0.03 0.00 -0.00 0.00 0.00 43.42 44.01 1n88 n LEU 70 CO 0.67 1.60 0.54 -0.83 -0.00 0.00 0.00 177.39 179.36 1n88 s GLY 71 N -1.60 -0.33 -0.42 -3.96 0.00 -1.26 -5.02 107.32 94.73 1n88 s GLY 71 Ca 0.12 2.84 -0.14 0.00 0.00 0.00 0.00 44.72 47.55 1n88 s GLY 71 CO -0.11 3.33 0.30 0.54 0.00 0.00 0.00 173.10 177.16 1n88 s LYS 72 N 2.61 2.90 -0.97 2.90 1.02 -1.26 -4.26 119.74 122.69 1n88 s LYS 72 Ca -0.01 -1.17 -0.31 0.00 0.02 0.00 0.00 55.97 54.51 1n88 s LYS 72 Cb -0.08 -3.95 -0.21 0.00 -0.52 0.00 0.00 37.83 33.07 1n88 s LYS 72 CO -0.17 -0.84 2.68 -2.13 -0.92 0.00 0.00 175.35 173.97 1n88 n ARG 73 N 5.11 0.04 -0.04 1.68 0.00 -1.26 -4.86 116.66 117.33 1n88 n ARG 73 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.74 1n88 n ARG 73 Cb 0.45 -1.58 0.00 0.00 0.00 0.00 0.00 32.46 31.34 1n88 n ARG 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1n88 n PRO 74 N 8.50 0.48 -3.80 -0.14 -0.04 -1.26 -4.90 135.00 133.83 1n88 n PRO 74 Ca 0.65 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.77 1n88 n PRO 74 Cb 0.05 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.40 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 -1.00 4.93 -0.04 3.54 1.01 -1.26 -4.61 116.67 119.25 1n88 s ASP 75 Ca 0.00 -2.99 -0.00 0.00 0.71 0.00 0.00 52.55 50.27 1n88 s ASP 75 Cb 0.00 -1.78 -0.04 0.00 1.01 0.00 0.00 42.92 42.12 1n88 s ASP 75 CO 0.00 -0.30 0.02 -0.60 0.21 0.00 0.00 175.17 174.49 1n88 s ARG 76 N -0.26 2.92 -0.00 8.23 6.06 -1.04 -4.51 118.95 130.35 1n88 s ARG 76 Ca 0.18 -0.50 0.07 0.00 -2.50 0.00 0.00 55.73 52.97 1n88 s ARG 76 Cb -0.21 -2.76 -0.02 0.00 0.06 0.00 0.00 34.95 32.02 1n88 s ARG 76 CO -0.03 0.66 -0.22 -1.59 -2.50 0.00 0.00 175.30 171.62 1n88 s LYS 77 N -1.31 1.71 0.09 5.12 -2.85 -1.24 0.25 119.74 121.50 1n88 s LYS 77 Ca 0.17 -0.84 0.01 0.00 -1.00 0.00 0.00 55.97 54.32 1n88 s LYS 77 Cb -0.12 -1.70 -0.04 0.00 -2.06 0.00 0.00 37.83 33.91 1n88 s LYS 77 CO 0.08 0.46 0.19 -1.59 0.10 0.00 0.00 175.35 174.58 1n88 s LYS 78 N -0.69 3.28 -0.20 1.78 -2.85 -0.26 -2.59 119.74 118.21 1n88 s LYS 78 Ca 0.09 -0.55 -0.02 0.00 -1.00 0.00 0.00 55.97 54.49 1n88 s LYS 78 Cb -0.09 -2.93 0.00 0.00 -2.06 0.00 0.00 37.83 32.75 1n88 s LYS 78 CO -0.00 0.58 -0.11 0.00 0.10 0.00 0.00 175.35 175.91 1n88 s ALA 79 N -1.54 2.60 -0.41 0.59 0.00 0.12 -0.31 121.76 122.81 1n88 s ALA 79 Ca 0.33 -1.19 -0.16 0.00 0.00 0.00 0.00 51.96 50.94 1n88 s ALA 79 Cb -0.12 -1.48 0.02 0.00 0.00 0.00 0.00 23.12 21.54 1n88 s ALA 79 CO 0.26 -0.40 0.37 0.42 0.00 0.00 0.00 175.76 176.41 1n88 s ILE 80 N 1.40 5.17 -0.16 0.00 1.01 0.78 0.18 121.20 129.57 1n88 s ILE 80 Ca 0.05 -0.43 -0.06 0.00 0.00 0.00 0.00 60.65 60.21 1n88 s ILE 80 Cb -0.14 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 1n88 s ILE 80 CO -0.08 -0.33 0.06 -0.69 0.00 0.00 0.00 174.94 173.91 1n88 s VAL 81 N 1.93 4.83 0.13 2.92 1.01 0.19 0.31 120.40 131.71 1n88 s VAL 81 Ca 0.09 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.07 1n88 s VAL 81 Cb -0.18 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 1n88 s VAL 81 CO 0.12 0.51 0.19 -1.58 0.00 0.00 0.00 175.10 174.34 1n88 s GLN 82 N -0.04 3.18 0.21 2.72 2.00 0.72 0.11 119.66 128.56 1n88 s GLN 82 Ca 0.06 -0.67 0.11 0.00 -2.00 0.00 0.00 55.36 52.86 1n88 s GLN 82 Cb -0.12 -2.84 -0.05 0.00 0.80 0.00 0.00 33.01 30.81 1n88 s GLN 82 CO 0.01 0.53 -0.22 0.14 -0.50 0.00 0.00 175.29 175.25 1n88 s VAL 83 N -1.65 2.29 1.36 1.34 -7.23 -1.11 0.20 120.40 115.60 1n88 s VAL 83 Ca 0.33 -2.13 -0.21 0.00 -1.81 0.00 0.00 61.98 58.15 1n88 s VAL 83 Cb -0.11 -2.13 0.34 0.00 0.56 0.00 0.00 36.38 35.04 1n88 s VAL 83 CO 0.26 -0.24 0.98 0.00 -0.31 0.00 0.00 175.10 175.78 1n88 s ALA 84 N -2.01 -0.43 0.26 1.32 0.00 -1.14 -4.72 121.76 115.04 1n88 s ALA 84 Ca 0.23 -0.79 -0.30 0.00 0.00 0.00 0.00 51.96 51.10 1n88 s ALA 84 Cb -0.07 -2.95 -0.09 0.00 0.00 0.00 0.00 23.12 20.01 1n88 s ALA 84 CO 0.11 -4.32 1.11 -1.25 0.00 0.00 0.00 175.76 171.40 1n88 s PRO 85 N -5.10 4.62 0.00 0.00 0.04 -1.26 -3.36 135.00 129.94 1n88 s PRO 85 Ca 0.69 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.54 1n88 s PRO 85 Cb -0.13 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1n88 s PRO 85 CO 0.58 0.16 0.00 0.41 0.04 0.00 0.00 177.00 178.19 1n88 n GLY 86 N 1.40 2.32 3.88 0.56 0.00 -1.26 -5.05 105.19 107.04 1n88 n GLY 86 Ca -0.00 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 2.29 0.00 1.61 0.00 -1.21 -5.13 119.66 117.22 1n88 s GLN 87 Ca 0.00 -1.93 0.00 0.00 -0.00 0.00 0.00 55.36 53.43 1n88 s GLN 87 Cb 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 33.01 30.88 1n88 s GLN 87 CO 0.00 -0.50 0.00 0.36 0.00 0.00 0.00 175.29 175.15 1n88 n LYS 88 N -1.68 0.00 -1.50 9.60 2.85 -1.26 -4.84 118.16 121.34 1n88 n LYS 88 Ca -0.01 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.84 1n88 n LYS 88 Cb 0.64 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.89 1n88 n LYS 88 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1n88 n ILE 89 N 0.00 -0.01 0.22 0.58 5.41 -1.26 -4.69 119.36 119.61 1n88 n ILE 89 Ca 0.00 -0.10 0.09 0.00 1.00 0.00 0.00 62.75 63.74 1n88 n ILE 89 Cb 0.00 -0.81 0.46 0.00 -0.71 0.00 0.00 39.64 38.58 1n88 n ILE 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1n88 n GLU 90 N 8.52 0.12 -0.10 0.38 -0.58 -1.26 -2.60 120.64 125.12 1n88 n GLU 90 Ca 0.62 0.54 0.16 0.00 -0.42 0.00 0.00 57.16 58.06 1n88 n GLU 90 Cb 0.09 -1.84 0.57 0.00 -0.57 0.00 0.00 31.44 29.69 1n88 n GLU 90 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1n88 h ALA 91 N 2.10 2.23 0.00 0.62 0.00 -1.93 -2.35 119.26 119.93 1n88 h ALA 91 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1n88 h ALA 91 Cb 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1n88 h ALA 91 CO 0.00 -0.41 -1.78 1.28 0.00 0.00 0.00 179.25 178.35 1n88 n LEU 92 N -4.44 0.00 -0.05 0.00 4.77 -1.07 -4.09 117.00 112.11 1n88 n LEU 92 Ca 0.12 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.97 1n88 n LEU 92 Cb 0.53 0.10 -0.08 0.00 -2.33 0.00 0.00 43.42 41.65 1n88 n LEU 92 CO 0.34 0.10 0.53 -0.33 -1.33 0.00 0.00 177.39 176.71 1n88 h GLU 93 N 0.00 -0.47 0.01 3.23 4.39 -1.38 -2.12 114.58 118.25 1n88 h GLU 93 Ca -0.12 0.03 -0.21 0.00 0.34 0.00 0.00 59.36 59.40 1n88 h GLU 93 Cb 1.05 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.80 1n88 h GLU 93 CO 0.01 -0.31 -0.93 0.78 -1.16 0.00 0.00 179.01 177.40 1n88 h GLY 94 N -0.48 0.28 -1.18 -3.84 0.00 -1.80 -3.20 103.07 92.84 1n88 h GLY 94 Ca 0.07 -0.52 0.39 0.00 0.00 0.00 0.00 47.33 47.27 1n88 h GLY 94 CO -0.49 0.46 1.21 -2.00 0.00 0.00 0.00 176.54 175.73 1n88 h LEU 95 N 0.13 0.00 0.00 3.11 5.85 -1.53 -3.53 115.31 119.34 1n88 h LEU 95 Ca -0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1n88 h LEU 95 Cb 1.57 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.60 1n88 h LEU 95 CO 0.15 0.00 0.00 -0.38 -0.34 0.00 0.00 178.44 177.87