#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 0.22 0.00 3.17 4.76 -1.26 -4.17 118.16 120.88 1n88 n LYS 2 Ca 0.00 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 1n88 n LYS 2 Cb 0.00 -1.90 0.00 0.00 -1.84 0.00 0.00 35.03 31.29 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 7.41 0.00 -1.46 -0.18 -1.04 -1.26 0.56 114.28 118.31 1n88 n THR 3 Ca 0.60 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.50 1n88 n THR 3 Cb 0.16 0.00 -0.10 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 0.27 -2.66 2.41 0.00 -1.25 -3.87 120.51 115.41 1n88 n ALA 4 Ca 0.00 -1.89 -0.06 0.00 0.00 0.00 0.00 53.44 51.49 1n88 n ALA 4 Cb 0.00 -2.77 -0.02 0.00 0.00 0.00 0.00 19.45 16.66 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 16.69 -0.22 -2.94 0.00 4.11 -1.13 0.26 117.16 133.92 1n88 n TYR 5 Ca 0.34 0.11 -0.12 0.00 -0.00 0.00 0.00 57.90 58.24 1n88 n TYR 5 Cb 0.47 -0.46 0.06 0.00 -0.00 0.00 0.00 39.34 39.40 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 -0.17 -2.98 0.00 9.48 2.03 0.19 -4.80 116.55 120.31 1n88 n ASP 6 Ca -0.04 -0.46 0.00 0.00 0.52 0.00 0.00 54.79 54.81 1n88 n ASP 6 Cb 0.12 -3.81 0.00 0.00 -0.72 0.00 0.00 41.12 36.70 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 -3.08 0.00 -1.48 5.18 0.31 0.71 -4.57 118.33 115.40 1n88 n VAL 7 Ca -0.16 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.81 1n88 n VAL 7 Cb 0.61 0.00 0.08 0.00 -0.91 0.00 0.00 33.84 33.62 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 3.51 0.00 2.52 5.41 -1.26 -3.97 119.36 125.57 1n88 n ILE 8 Ca 0.00 -0.41 0.00 0.00 1.00 0.00 0.00 62.75 63.34 1n88 n ILE 8 Cb 0.00 -1.23 0.00 0.00 -0.71 0.00 0.00 39.64 37.70 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 -1.77 0.00 -4.72 1.39 4.77 -0.68 -3.87 117.00 112.13 1n88 n LEU 9 Ca 0.14 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.85 1n88 n LEU 9 Cb 0.49 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.51 1n88 n LEU 9 CO 0.48 0.00 -0.29 0.00 -1.33 0.00 0.00 177.39 176.25 1n88 s ALA 10 N -2.00 3.35 0.73 -1.18 0.00 -1.26 -4.86 121.76 116.54 1n88 s ALA 10 Ca 0.00 -1.26 -0.11 0.00 0.00 0.00 0.00 51.96 50.59 1n88 s ALA 10 Cb 0.00 -1.17 0.03 0.00 0.00 0.00 0.00 23.12 21.98 1n88 s ALA 10 CO 0.00 0.54 1.07 -1.25 0.00 0.00 0.00 175.76 176.12 1n88 s PRO 11 N -2.85 2.66 -0.04 0.00 0.04 -1.26 -2.49 135.00 131.06 1n88 s PRO 11 Ca 0.28 0.86 -0.02 0.00 0.04 0.00 0.00 61.00 62.16 1n88 s PRO 11 Cb -0.10 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1n88 s PRO 11 CO 0.20 -1.27 0.06 0.14 0.04 0.00 0.00 177.00 176.17 1n88 s VAL 12 N -3.08 4.66 -0.43 -0.36 -7.23 -1.10 -4.92 120.40 107.94 1n88 s VAL 12 Ca 0.59 -0.30 -0.13 0.00 -1.81 0.00 0.00 61.98 60.33 1n88 s VAL 12 Cb -0.14 -3.06 0.06 0.00 0.56 0.00 0.00 36.38 33.79 1n88 s VAL 12 CO 0.55 0.46 0.31 -0.76 -0.31 0.00 0.00 175.10 175.35 1n88 s LEU 13 N -1.37 5.25 -0.16 1.32 2.01 -1.26 -4.79 118.68 119.68 1n88 s LEU 13 Ca 0.19 -1.23 -0.19 0.00 0.01 0.00 0.00 54.13 52.90 1n88 s LEU 13 Cb -0.12 -2.10 0.05 0.00 0.01 0.00 0.00 46.19 44.03 1n88 s LEU 13 CO 0.09 -0.54 0.52 -0.94 1.01 0.00 0.00 176.35 176.49 1n88 s SER 14 N 2.13 -0.53 0.23 2.29 1.04 -1.26 -5.01 113.70 112.59 1n88 s SER 14 Ca 0.04 0.93 -0.16 0.00 0.48 0.00 0.00 55.95 57.24 1n88 s SER 14 Cb -0.22 0.95 0.26 0.00 0.10 0.00 0.00 66.02 67.10 1n88 s SER 14 CO 0.06 -0.26 1.57 -0.08 0.98 0.00 0.00 173.24 175.52 1n88 h GLU 15 N 4.91 -0.04 -0.86 4.02 4.22 -1.98 0.66 114.58 125.50 1n88 h GLU 15 Ca -0.28 0.00 0.11 0.00 0.08 0.00 0.00 59.36 59.27 1n88 h GLU 15 Cb 1.17 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.35 1n88 h GLU 15 CO 0.22 -0.03 0.49 1.57 -2.18 0.00 0.00 179.01 179.08 1n88 h LYS 16 N -0.05 0.78 0.48 1.92 2.10 -1.96 0.25 116.57 120.09 1n88 h LYS 16 Ca 0.34 -0.05 -0.02 0.00 -2.00 0.00 0.00 60.65 58.92 1n88 h LYS 16 Cb 0.60 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 1n88 h LYS 16 CO -0.87 0.52 -0.23 0.00 -2.00 0.00 0.00 179.45 176.86 1n88 h ALA 17 N 1.48 -0.88 -1.11 0.07 0.00 -0.12 0.40 119.26 119.10 1n88 h ALA 17 Ca 0.42 -0.14 0.32 0.00 0.00 0.00 0.00 54.91 55.51 1n88 h ALA 17 Cb 0.42 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1n88 h ALA 17 CO -0.26 -0.83 0.79 1.88 0.00 0.00 0.00 179.25 180.83 1n88 h TYR 18 N -0.85 0.07 -0.00 0.00 0.05 -0.80 2.61 116.97 118.05 1n88 h TYR 18 Ca -0.07 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.72 1n88 h TYR 18 Cb 0.50 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.22 1n88 h TYR 18 CO 0.05 0.01 -0.33 0.00 -1.05 0.00 0.00 178.16 176.84 1n88 n ALA 19 N -2.73 3.16 -0.07 3.88 0.00 0.06 -2.47 120.51 122.35 1n88 n ALA 19 Ca 0.24 -0.29 -0.09 0.00 0.00 0.00 0.00 53.44 53.30 1n88 n ALA 19 Cb 1.15 -1.22 -0.07 0.00 0.00 0.00 0.00 19.45 19.31 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 1.47 -0.24 0.21 0.00 0.00 0.59 -4.46 105.19 102.76 1n88 n GLY 20 Ca 0.07 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.09 1.61 3.57 0.35 -2.99 116.94 119.39 1n88 h PHE 21 Ca -0.30 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.22 1n88 h PHE 21 Cb 1.50 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.24 1n88 h PHE 21 CO 0.01 0.24 0.45 0.00 -2.23 0.00 0.00 178.31 176.78 1n88 h ALA 22 N 1.76 1.58 -0.43 2.41 0.00 -1.62 0.88 119.26 123.85 1n88 h ALA 22 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1n88 h ALA 22 Cb 0.86 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1n88 h ALA 22 CO 0.03 -0.50 0.00 -1.91 0.00 0.00 0.00 179.25 176.87 1n88 n GLU 23 N -2.99 3.10 -0.31 0.00 4.07 -1.13 -4.83 120.64 118.55 1n88 n GLU 23 Ca 0.00 -2.01 0.00 0.00 -0.06 0.00 0.00 57.16 55.10 1n88 n GLU 23 Cb 0.52 -1.79 0.00 0.00 -0.06 0.00 0.00 31.44 30.11 1n88 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1n88 n GLY 24 N 0.74 0.70 3.78 8.31 0.00 0.30 -4.77 105.19 114.25 1n88 n GLY 24 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.69 4.56 -0.28 1.61 1.02 -0.92 -3.19 119.74 121.85 1n88 s LYS 25 Ca 0.00 1.22 0.00 0.00 0.02 0.00 0.00 55.97 57.21 1n88 s LYS 25 Cb 0.00 -3.02 0.08 0.00 -0.52 0.00 0.00 37.83 34.37 1n88 s LYS 25 CO 0.00 0.42 0.03 0.71 -0.92 0.00 0.00 175.35 175.59 1n88 s TYR 26 N -1.40 2.29 -0.08 3.18 2.02 0.63 -3.91 117.35 120.08 1n88 s TYR 26 Ca 0.43 -1.92 -0.30 0.00 -0.37 0.00 0.00 57.07 54.92 1n88 s TYR 26 Cb -0.21 -1.85 -0.03 0.00 -0.40 0.00 0.00 41.96 39.47 1n88 s TYR 26 CO 0.25 -0.83 1.18 0.99 -1.57 0.00 0.00 175.55 175.57 1n88 s THR 27 N 1.42 4.32 0.29 -0.71 2.01 -1.15 -0.27 115.64 121.56 1n88 s THR 27 Ca 0.04 1.64 0.07 0.00 0.31 0.00 0.00 61.69 63.75 1n88 s THR 27 Cb -0.18 -4.05 -0.06 0.00 0.01 0.00 0.00 72.50 68.22 1n88 s THR 27 CO -0.14 -0.02 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.35 1n88 s PHE 28 N 2.36 2.03 -0.25 4.92 0.08 0.72 -2.71 117.98 125.14 1n88 s PHE 28 Ca 0.55 -0.67 -0.09 0.00 0.12 0.00 0.00 56.93 56.84 1n88 s PHE 28 Cb -0.23 -1.16 -0.04 0.00 -0.57 0.00 0.00 43.02 41.01 1n88 s PHE 28 CO 0.20 0.33 0.12 -1.58 -0.10 0.00 0.00 175.22 174.19 1n88 s TRP 29 N -2.95 3.19 0.15 0.36 0.52 -1.04 0.60 118.94 119.78 1n88 s TRP 29 Ca 0.30 -0.08 -0.06 0.00 0.02 0.00 0.00 56.10 56.29 1n88 s TRP 29 Cb 0.04 -2.26 -0.02 0.00 -1.15 0.00 0.00 33.47 30.07 1n88 s TRP 29 CO 0.13 -0.15 0.19 0.54 0.02 0.00 0.00 176.95 177.68 1n88 s VAL 30 N 1.39 0.08 0.60 4.03 0.11 -1.00 -1.69 120.40 123.92 1n88 s VAL 30 Ca 0.06 -1.61 -0.20 0.00 -2.93 0.00 0.00 61.98 57.31 1n88 s VAL 30 Cb -0.15 -1.94 -0.03 0.00 -1.53 0.00 0.00 36.38 32.73 1n88 s VAL 30 CO 0.06 -0.35 1.31 -2.28 -3.33 0.00 0.00 175.10 170.51 1n88 s HIS 31 N -4.01 2.18 -0.94 1.54 2.46 -1.25 -3.71 115.29 111.57 1n88 s HIS 31 Ca 0.21 1.44 -0.21 0.00 0.47 0.00 0.00 55.06 56.97 1n88 s HIS 31 Cb 0.05 -3.72 -0.11 0.00 -0.13 0.00 0.00 32.58 28.66 1n88 s HIS 31 CO 0.01 -2.87 1.98 -0.35 -2.47 0.00 0.00 174.74 171.04 1n88 n PRO 32 N -1.52 1.79 0.00 2.88 -0.04 -1.26 -2.86 135.00 133.99 1n88 n PRO 32 Ca 0.13 -2.06 0.00 0.00 -0.04 0.00 0.00 63.50 61.53 1n88 n PRO 32 Cb 0.47 -3.06 0.00 0.00 -0.04 0.00 0.00 33.50 30.87 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 6.98 0.00 -1.53 0.54 2.85 -1.26 -5.06 118.16 120.67 1n88 n LYS 33 Ca 0.50 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.57 1n88 n LYS 33 Cb 0.41 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.64 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 0.71 -0.61 0.58 0.00 -1.14 -4.86 120.51 115.19 1n88 n ALA 34 Ca 0.00 -1.09 -0.21 0.00 0.00 0.00 0.00 53.44 52.15 1n88 n ALA 34 Cb 0.00 -2.85 0.13 0.00 0.00 0.00 0.00 19.45 16.73 1n88 n ALA 34 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1n88 n THR 35 N 7.24 0.00 0.18 0.00 5.66 -1.26 -4.52 114.28 121.59 1n88 n THR 35 Ca 0.57 -0.07 0.03 0.00 -3.05 0.00 0.00 64.05 61.53 1n88 n THR 35 Cb 0.29 -0.42 0.35 0.00 -1.55 0.00 0.00 70.33 69.00 1n88 n THR 35 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1n88 h LYS 36 N -2.37 0.00 0.06 1.09 6.56 -1.89 -2.72 116.57 117.30 1n88 h LYS 36 Ca -0.28 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.30 1n88 h LYS 36 Cb 0.85 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.52 1n88 h LYS 36 CO 0.18 0.40 -0.03 1.15 -2.06 0.00 0.00 179.45 179.09 1n88 h THR 37 N 0.00 1.24 -0.79 -0.16 2.02 -1.93 -3.13 112.91 110.16 1n88 h THR 37 Ca -0.00 -1.54 0.09 0.00 0.77 0.00 0.00 66.41 65.73 1n88 h THR 37 Cb 0.76 2.18 -0.07 0.00 -1.74 0.00 0.00 68.15 69.27 1n88 h THR 37 CO 0.05 0.36 0.44 -0.33 0.37 0.00 0.00 175.52 176.41 1n88 h GLU 38 N -0.83 0.72 -0.34 6.66 5.08 -1.87 0.20 114.58 124.19 1n88 h GLU 38 Ca -0.01 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1n88 h GLU 38 Cb 0.64 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1n88 h GLU 38 CO 0.01 0.48 0.24 0.82 -1.00 0.00 0.00 179.01 179.56 1n88 h ILE 39 N 0.74 0.87 -0.22 3.13 2.04 -1.56 -1.99 117.51 120.52 1n88 h ILE 39 Ca 0.38 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 66.20 1n88 h ILE 39 Cb 0.36 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1n88 h ILE 39 CO -0.25 0.01 0.10 0.50 0.00 0.00 0.00 178.15 178.51 1n88 h LYS 40 N 0.08 0.33 -0.43 2.37 3.64 -0.55 -3.08 116.57 118.93 1n88 h LYS 40 Ca 0.16 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1n88 h LYS 40 Cb 0.53 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1n88 h LYS 40 CO -0.01 0.37 0.15 -0.91 -2.27 0.00 0.00 179.45 176.77 1n88 h ASN 41 N 0.22 0.57 0.01 4.20 2.35 -1.26 -2.03 115.58 119.64 1n88 h ASN 41 Ca 0.08 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1n88 h ASN 41 Cb 0.15 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1n88 h ASN 41 CO -0.01 0.54 -0.01 0.00 -1.65 0.00 0.00 177.43 176.30 1n88 h ALA 42 N 1.55 -0.02 -0.08 -0.83 0.00 -1.47 -2.91 119.26 115.50 1n88 h ALA 42 Ca 0.15 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1n88 h ALA 42 Cb 0.17 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1n88 h ALA 42 CO -0.01 -0.26 -0.47 -0.39 0.00 0.00 0.00 179.25 178.11 1n88 h VAL 43 N -0.51 1.34 0.27 0.00 -1.51 -1.55 0.25 116.25 114.54 1n88 h VAL 43 Ca -0.00 -1.67 -0.01 0.00 -1.23 0.00 0.00 66.70 63.79 1n88 h VAL 43 Cb 0.49 1.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.46 1n88 h VAL 43 CO 0.00 0.49 -0.13 -0.08 -1.23 0.00 0.00 177.57 176.63 1n88 h GLU 44 N 0.16 -0.35 0.00 5.19 4.22 -1.40 0.84 114.58 123.25 1n88 h GLU 44 Ca 0.01 0.02 -0.09 0.00 0.08 0.00 0.00 59.36 59.38 1n88 h GLU 44 Cb 0.90 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1n88 h GLU 44 CO 0.07 -0.22 -0.44 1.15 -2.18 0.00 0.00 179.01 177.39 1n88 h THR 45 N -0.38 0.76 0.00 0.32 2.02 -1.50 -1.37 112.91 112.76 1n88 h THR 45 Ca -0.04 -2.06 0.00 0.00 0.77 0.00 0.00 66.41 65.08 1n88 h THR 45 Cb 0.29 2.37 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1n88 h THR 45 CO 0.06 0.43 -0.13 0.00 0.37 0.00 0.00 175.52 176.25 1n88 h ALA 46 N 1.56 0.00 0.00 6.16 0.00 -0.26 -3.37 119.26 123.35 1n88 h ALA 46 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1n88 h ALA 46 Cb 1.33 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1n88 h ALA 46 CO 0.06 0.13 -0.07 0.74 0.00 0.00 0.00 179.25 180.11 1n88 h PHE 47 N -0.55 0.00 -4.36 0.00 0.04 0.53 -3.47 116.94 109.13 1n88 h PHE 47 Ca 0.00 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.52 1n88 h PHE 47 Cb 0.13 0.00 0.10 0.00 2.20 0.00 0.00 35.95 38.38 1n88 h PHE 47 CO -0.06 0.07 -0.48 1.63 -0.60 0.00 0.00 178.31 178.87 1n88 n LYS 48 N -3.18 -5.03 -0.40 1.51 5.02 -0.52 -4.91 118.16 110.65 1n88 n LYS 48 Ca 0.01 0.57 0.00 0.00 -2.02 0.00 0.00 58.31 56.86 1n88 n LYS 48 Cb 0.37 -4.79 0.00 0.00 -0.02 0.00 0.00 35.03 30.59 1n88 n LYS 48 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1n88 n VAL 49 N -3.76 0.00 -3.95 -0.18 3.14 -1.22 -5.04 118.33 107.32 1n88 n VAL 49 Ca -0.08 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 60.96 1n88 n VAL 49 Cb 0.57 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 33.21 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 0.40 2.80 -0.21 1.45 2.36 -1.26 -4.71 119.74 120.57 1n88 s LYS 50 Ca 0.00 -1.00 -0.29 0.00 -2.55 0.00 0.00 55.97 52.13 1n88 s LYS 50 Cb 0.00 -3.01 0.00 0.00 -1.05 0.00 0.00 37.83 33.77 1n88 s LYS 50 CO 0.00 -0.42 1.14 0.08 1.55 0.00 0.00 175.35 177.70 1n88 s VAL 51 N 1.32 4.50 -0.17 4.02 1.01 -1.26 -3.87 120.40 125.95 1n88 s VAL 51 Ca -0.00 1.80 0.06 0.00 0.00 0.00 0.00 61.98 63.85 1n88 s VAL 51 Cb -0.17 -4.18 -0.08 0.00 0.00 0.00 0.00 36.38 31.95 1n88 s VAL 51 CO -0.04 -0.18 0.21 0.52 0.00 0.00 0.00 175.10 175.61 1n88 n VAL 52 N 5.38 0.00 -3.20 2.92 0.31 0.27 -4.91 118.33 119.10 1n88 n VAL 52 Ca 0.13 -0.26 0.04 0.00 -0.01 0.00 0.00 64.34 64.24 1n88 n VAL 52 Cb 0.46 0.71 -0.03 0.00 -0.91 0.00 0.00 33.84 34.06 1n88 n VAL 52 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1n88 s LYS 53 N -1.98 0.11 -0.25 5.55 1.02 -1.07 -4.91 119.74 118.21 1n88 s LYS 53 Ca 0.00 0.24 -0.03 0.00 0.02 0.00 0.00 55.97 56.20 1n88 s LYS 53 Cb 0.05 0.14 0.01 0.00 -0.52 0.00 0.00 37.83 37.51 1n88 s LYS 53 CO 0.27 -0.08 -0.03 0.08 -0.92 0.00 0.00 175.35 174.66 1n88 s VAL 54 N 2.57 3.21 -0.23 3.17 1.01 -1.25 0.16 120.40 129.03 1n88 s VAL 54 Ca -0.03 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 1n88 s VAL 54 Cb -0.06 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.77 1n88 s VAL 54 CO -0.13 0.26 -0.10 0.20 0.00 0.00 0.00 175.10 175.33 1n88 s ASN 55 N 1.40 4.06 0.20 3.32 -0.87 0.72 -4.84 114.94 118.93 1n88 s ASN 55 Ca 0.03 -0.83 0.10 0.00 -1.57 0.00 0.00 52.86 50.59 1n88 s ASN 55 Cb -0.16 -1.62 -0.04 0.00 -0.02 0.00 0.00 41.25 39.41 1n88 s ASN 55 CO -0.03 -0.09 -0.13 0.28 -2.57 0.00 0.00 177.10 174.56 1n88 s THR 56 N 1.31 2.98 0.09 1.60 -1.32 -1.26 0.26 115.64 119.30 1n88 s THR 56 Ca 0.01 -1.82 -0.06 0.00 -1.21 0.00 0.00 61.69 58.61 1n88 s THR 56 Cb -0.16 -2.48 -0.01 0.00 -1.51 0.00 0.00 72.50 68.33 1n88 s THR 56 CO -0.06 -0.16 0.14 -1.48 -2.21 0.00 0.00 174.62 170.85 1n88 s LEU 57 N -2.92 1.65 -0.14 9.08 2.34 0.10 -4.92 118.68 123.87 1n88 s LEU 57 Ca 0.25 -0.80 -0.27 0.00 0.06 0.00 0.00 54.13 53.37 1n88 s LEU 57 Cb -0.08 0.80 -0.01 0.00 -0.56 0.00 0.00 46.19 46.34 1n88 s LEU 57 CO 0.14 -0.72 0.91 -2.28 -1.06 0.00 0.00 176.35 173.35 1n88 s HIS 58 N -3.90 3.46 -0.23 3.48 5.65 -1.26 0.43 115.29 122.92 1n88 s HIS 58 Ca 0.08 1.41 0.02 0.00 0.25 0.00 0.00 55.06 56.82 1n88 s HIS 58 Cb 0.06 -3.10 0.04 0.00 -1.18 0.00 0.00 32.58 28.40 1n88 s HIS 58 CO -0.09 -0.24 -0.14 0.14 -0.65 0.00 0.00 174.74 173.76 1n88 s VAL 59 N 2.12 2.09 -0.54 0.89 -7.23 0.75 -4.89 120.40 113.59 1n88 s VAL 59 Ca 0.43 -1.33 -0.16 0.00 -1.81 0.00 0.00 61.98 59.10 1n88 s VAL 59 Cb -0.17 -2.08 0.12 0.00 0.56 0.00 0.00 36.38 34.80 1n88 s VAL 59 CO 0.14 0.20 0.53 -0.13 -0.31 0.00 0.00 175.10 175.53 1n88 s ARG 60 N 1.19 3.00 -0.30 4.82 1.81 -1.26 -3.50 118.95 124.71 1n88 s ARG 60 Ca -0.03 -1.60 -0.14 0.00 -1.72 0.00 0.00 55.73 52.24 1n88 s ARG 60 Cb -0.17 -4.28 0.19 0.00 -0.45 0.00 0.00 34.95 30.24 1n88 s ARG 60 CO -0.08 -1.34 1.13 0.20 -0.68 0.00 0.00 175.30 174.53 1n88 s GLY 61 N 3.50 -1.27 0.00 -3.53 0.00 -1.26 -4.83 107.32 99.92 1n88 s GLY 61 Ca 0.05 1.85 0.00 0.00 0.00 0.00 0.00 44.72 46.61 1n88 s GLY 61 CO 0.04 4.33 0.00 1.17 0.00 0.00 0.00 173.10 178.64 1n88 n LYS 62 N 4.20 0.00 -2.49 2.90 4.81 -1.26 -4.99 118.16 121.34 1n88 n LYS 62 Ca 0.07 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.16 1n88 n LYS 62 Cb 0.62 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.64 1n88 n LYS 62 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1n88 s LYS 63 N -0.81 3.89 0.29 1.64 -0.14 -1.26 -4.93 119.74 118.42 1n88 s LYS 63 Ca 0.00 1.48 -0.25 0.00 -1.36 0.00 0.00 55.97 55.84 1n88 s LYS 63 Cb 0.00 -2.28 -0.16 0.00 -1.68 0.00 0.00 37.83 33.71 1n88 s LYS 63 CO 0.00 -0.37 0.45 1.63 -0.76 0.00 0.00 175.35 176.30 1n88 n LYS 64 N -0.61 0.21 0.00 1.68 5.02 -1.26 -4.84 118.16 118.35 1n88 n LYS 64 Ca 0.08 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1n88 n LYS 64 Cb 0.51 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.37 1n88 n LYS 64 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1n88 n ARG 65 N 1.01 0.00 -3.49 1.97 1.74 -1.26 -4.46 116.66 112.17 1n88 n ARG 65 Ca 0.14 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 57.04 1n88 n ARG 65 Cb 0.32 -0.14 0.08 0.00 -1.02 0.00 0.00 32.46 31.70 1n88 n ARG 65 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1n88 n LEU 66 N -2.20 -3.83 -3.20 0.55 7.99 -1.26 -3.65 117.00 111.40 1n88 n LEU 66 Ca 0.00 -0.65 -0.35 0.00 -0.01 0.00 0.00 56.01 55.00 1n88 n LEU 66 Cb 0.00 -3.04 0.03 0.00 -0.11 0.00 0.00 43.42 40.31 1n88 n LEU 66 CO 0.00 0.40 -0.24 0.61 -1.51 0.00 0.00 177.39 176.65 1n88 n GLY 67 N -1.26 0.15 3.08 -0.72 0.00 -1.26 -4.97 105.19 100.21 1n88 n GLY 67 Ca -0.27 1.01 -0.14 0.00 0.00 0.00 0.00 46.02 46.62 1n88 n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n88 s ARG 68 N -2.17 0.59 -0.40 1.61 0.52 -1.24 -5.08 118.95 112.78 1n88 s ARG 68 Ca 0.33 -0.81 -0.43 0.00 -0.52 0.00 0.00 55.73 54.30 1n88 s ARG 68 Cb -0.03 -0.38 -0.18 0.00 0.52 0.00 0.00 34.95 34.88 1n88 s ARG 68 CO 0.77 0.07 1.75 2.48 0.02 0.00 0.00 175.30 180.39 1n88 n TYR 69 N 1.37 1.82 -3.14 -0.53 4.11 -1.26 -3.20 117.16 116.34 1n88 n TYR 69 Ca -0.22 0.80 -0.00 0.00 -0.00 0.00 0.00 57.90 58.48 1n88 n TYR 69 Cb 0.55 -2.35 -0.00 0.00 -0.00 0.00 0.00 39.34 37.54 1n88 n TYR 69 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1n88 n LEU 70 N 5.28 -4.07 0.00 -3.48 4.32 -1.26 -4.95 117.00 112.84 1n88 n LEU 70 Ca 0.32 0.65 0.00 0.00 -0.02 0.00 0.00 56.01 56.96 1n88 n LEU 70 Cb 0.04 -1.58 0.00 0.00 -1.62 0.00 0.00 43.42 40.25 1n88 n LEU 70 CO 0.85 -2.02 0.00 0.61 -1.22 0.00 0.00 177.39 175.62 1n88 n GLY 71 N 1.80 -1.26 3.01 -0.72 0.00 -1.19 -5.00 105.19 101.82 1n88 n GLY 71 Ca -0.00 -1.62 -0.33 0.00 0.00 0.00 0.00 46.02 44.07 1n88 n GLY 71 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1n88 n LYS 72 N -0.78 2.39 -2.63 1.61 0.00 -1.26 -5.07 118.16 112.42 1n88 n LYS 72 Ca 0.00 -4.49 -0.39 0.00 -0.00 0.00 0.00 58.31 53.42 1n88 n LYS 72 Cb 0.00 -2.37 -0.05 0.00 -0.00 0.00 0.00 35.03 32.61 1n88 n LYS 72 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1n88 s ARG 73 N -1.48 4.65 0.00 -1.58 0.52 -1.26 -4.51 118.95 115.29 1n88 s ARG 73 Ca 0.27 1.58 0.00 0.00 -0.52 0.00 0.00 55.73 57.06 1n88 s ARG 73 Cb -0.05 -3.08 0.00 0.00 0.52 0.00 0.00 34.95 32.34 1n88 s ARG 73 CO -0.14 0.29 0.00 -0.35 0.02 0.00 0.00 175.30 175.12 1n88 n PRO 74 N 1.04 0.08 -3.78 3.54 -0.04 -1.26 -4.88 135.00 129.69 1n88 n PRO 74 Ca -0.00 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.11 1n88 n PRO 74 Cb 0.47 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.82 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 -1.34 4.99 0.04 3.54 1.11 -1.26 -4.58 116.67 119.17 1n88 s ASP 75 Ca 0.00 -2.99 0.07 0.00 0.18 0.00 0.00 52.55 49.81 1n88 s ASP 75 Cb 0.00 -1.79 -0.02 0.00 1.07 0.00 0.00 42.92 42.18 1n88 s ASP 75 CO 0.00 -0.31 -0.19 -0.60 1.18 0.00 0.00 175.17 175.25 1n88 s ARG 76 N -0.26 1.29 0.01 8.23 6.06 -1.23 -4.58 118.95 128.47 1n88 s ARG 76 Ca 0.18 -0.89 0.07 0.00 -2.50 0.00 0.00 55.73 52.59 1n88 s ARG 76 Cb -0.21 -1.37 -0.02 0.00 0.06 0.00 0.00 34.95 33.41 1n88 s ARG 76 CO -0.03 0.35 -0.21 -1.59 -2.50 0.00 0.00 175.30 171.32 1n88 s LYS 77 N -1.14 1.58 0.07 5.12 -2.85 -1.24 0.27 119.74 121.54 1n88 s LYS 77 Ca 0.06 -0.83 0.01 0.00 -1.00 0.00 0.00 55.97 54.21 1n88 s LYS 77 Cb -0.08 -1.60 -0.04 0.00 -2.06 0.00 0.00 37.83 34.05 1n88 s LYS 77 CO 0.02 0.43 0.19 -1.59 0.10 0.00 0.00 175.35 174.49 1n88 s LYS 78 N -0.77 3.34 -0.12 1.78 -2.85 0.17 -2.38 119.74 118.91 1n88 s LYS 78 Ca 0.08 -0.49 0.02 0.00 -1.00 0.00 0.00 55.97 54.58 1n88 s LYS 78 Cb -0.08 -2.98 -0.00 0.00 -2.06 0.00 0.00 37.83 32.70 1n88 s LYS 78 CO 0.00 0.60 -0.20 0.00 0.10 0.00 0.00 175.35 175.85 1n88 s ALA 79 N -1.50 2.34 -0.35 0.59 0.00 0.20 0.03 121.76 123.08 1n88 s ALA 79 Ca 0.34 -0.98 -0.10 0.00 0.00 0.00 0.00 51.96 51.23 1n88 s ALA 79 Cb -0.13 -1.00 0.02 0.00 0.00 0.00 0.00 23.12 22.01 1n88 s ALA 79 CO 0.27 0.19 0.17 0.42 0.00 0.00 0.00 175.76 176.81 1n88 s ILE 80 N 0.48 4.40 -0.12 0.00 1.09 0.72 0.26 121.20 128.02 1n88 s ILE 80 Ca -0.13 -0.79 -0.06 0.00 -1.10 0.00 0.00 60.65 58.57 1n88 s ILE 80 Cb -0.17 -3.40 -0.04 0.00 -1.06 0.00 0.00 42.46 37.79 1n88 s ILE 80 CO 0.05 -0.13 0.08 -0.69 -0.10 0.00 0.00 174.94 174.15 1n88 s VAL 81 N 1.54 5.00 0.18 2.92 1.01 0.63 0.26 120.40 131.93 1n88 s VAL 81 Ca 0.02 0.02 0.10 0.00 0.00 0.00 0.00 61.98 62.13 1n88 s VAL 81 Cb -0.19 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1n88 s VAL 81 CO 0.06 0.58 -0.19 -1.58 0.00 0.00 0.00 175.10 173.96 1n88 s GLN 82 N -0.65 1.70 0.18 2.72 2.00 0.41 0.23 119.66 126.25 1n88 s GLN 82 Ca 0.12 -1.40 0.08 0.00 -2.00 0.00 0.00 55.36 52.17 1n88 s GLN 82 Cb -0.12 -1.97 -0.04 0.00 0.80 0.00 0.00 33.01 31.68 1n88 s GLN 82 CO 0.02 0.42 -0.17 0.14 -0.50 0.00 0.00 175.29 175.21 1n88 s VAL 83 N -1.57 1.82 0.85 1.34 -7.23 -1.19 0.94 120.40 115.35 1n88 s VAL 83 Ca 0.21 -2.04 -0.12 0.00 -1.81 0.00 0.00 61.98 58.22 1n88 s VAL 83 Cb -0.09 -1.93 0.06 0.00 0.56 0.00 0.00 36.38 34.98 1n88 s VAL 83 CO 0.11 -0.42 -0.07 0.00 -0.31 0.00 0.00 175.10 174.41 1n88 n ALA 84 N 0.01 0.13 -1.76 1.32 0.00 -1.25 -4.78 120.51 114.18 1n88 n ALA 84 Ca -0.11 -0.77 -0.40 0.00 0.00 0.00 0.00 53.44 52.16 1n88 n ALA 84 Cb 0.58 -0.63 -0.04 0.00 0.00 0.00 0.00 19.45 19.37 1n88 n ALA 84 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1n88 s PRO 85 N -2.79 4.56 0.00 0.00 0.04 -1.26 -2.92 135.00 132.62 1n88 s PRO 85 Ca 0.26 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.13 1n88 s PRO 85 Cb -0.02 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.40 1n88 s PRO 85 CO 0.30 0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.88 1n88 n GLY 86 N 1.08 3.10 3.94 0.56 0.00 -1.26 -5.01 105.19 107.60 1n88 n GLY 86 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 1n88 n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n88 s GLN 87 N -0.30 2.69 0.00 1.61 -0.21 -1.15 -5.08 119.66 117.21 1n88 s GLN 87 Ca 0.00 -0.36 0.00 0.00 0.02 0.00 0.00 55.36 55.02 1n88 s GLN 87 Cb 0.00 -2.36 0.00 0.00 1.00 0.00 0.00 33.01 31.65 1n88 s GLN 87 CO 0.00 -0.74 0.00 0.36 -2.12 0.00 0.00 175.29 172.79 1n88 n LYS 88 N -2.50 0.00 -1.42 2.91 2.85 -1.26 -4.87 118.16 113.87 1n88 n LYS 88 Ca 0.06 0.00 -0.48 0.00 -1.05 0.00 0.00 58.31 56.84 1n88 n LYS 88 Cb 0.59 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.85 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 0.02 0.13 0.58 5.41 -1.26 -4.69 119.36 119.55 1n88 n ILE 89 Ca 0.00 -0.13 0.07 0.00 1.00 0.00 0.00 62.75 63.69 1n88 n ILE 89 Cb 0.00 -0.95 0.40 0.00 -0.71 0.00 0.00 39.64 38.37 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 8.21 0.10 -0.23 0.38 -0.58 -1.26 -2.32 120.64 124.93 1n88 n GLU 90 Ca 0.55 0.57 0.11 0.00 -0.42 0.00 0.00 57.16 57.97 1n88 n GLU 90 Cb 0.10 -1.94 0.39 0.00 -0.57 0.00 0.00 31.44 29.42 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 1.63 1.85 0.00 0.62 0.00 -1.94 -2.82 119.26 118.60 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 0.26 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1n88 h ALA 91 CO 0.00 -0.05 -1.76 1.28 0.00 0.00 0.00 179.25 178.72 1n88 n LEU 92 N -4.52 0.00 -0.26 0.00 4.77 -0.98 -4.07 117.00 111.93 1n88 n LEU 92 Ca 0.15 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.20 1n88 n LEU 92 Cb 0.42 0.11 0.21 0.00 -2.33 0.00 0.00 43.42 41.82 1n88 n LEU 92 CO 0.31 0.11 0.99 -0.33 -1.33 0.00 0.00 177.39 177.14 1n88 h GLU 93 N 0.00 0.36 -0.13 3.23 4.39 -1.43 0.83 114.58 121.83 1n88 h GLU 93 Ca -0.12 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1n88 h GLU 93 Cb 1.06 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 1n88 h GLU 93 CO 0.01 0.24 0.00 0.41 -1.16 0.00 0.00 179.01 178.50 1n88 n GLY 94 N -1.34 1.08 0.00 -3.84 0.00 -1.19 -4.16 105.19 95.74 1n88 n GLY 94 Ca 0.16 -0.67 0.10 0.00 0.00 0.00 0.00 46.02 45.60 1n88 n GLY 94 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1n88 n LEU 95 N 1.24 0.00 0.00 0.99 7.94 0.29 -5.14 117.00 122.31 1n88 n LEU 95 Ca 0.16 0.00 0.15 0.00 -1.11 0.00 0.00 56.01 55.21 1n88 n LEU 95 Cb 0.57 0.00 0.86 0.00 0.53 0.00 0.00 43.42 45.38 1n88 n LEU 95 CO 0.15 0.00 1.03 -0.38 -1.11 0.00 0.00 177.39 177.09