#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 3.10 0.00 2.12 5.02 -1.26 -4.49 118.16 122.65 1n88 n LYS 2 Ca 0.00 -3.08 0.00 0.00 -2.02 0.00 0.00 58.31 53.21 1n88 n LYS 2 Cb 0.00 -3.38 0.00 0.00 -0.02 0.00 0.00 35.03 31.63 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 5.72 0.00 -0.01 -0.18 -2.24 -1.26 -4.49 114.28 111.82 1n88 n THR 3 Ca 0.49 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 62.23 1n88 n THR 3 Cb 0.43 -0.13 -0.12 0.00 -2.10 0.00 0.00 70.33 68.41 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 -2.52 1.78 -0.18 6.98 0.00 -1.25 -3.42 120.51 121.90 1n88 n ALA 4 Ca 0.00 -0.77 0.22 0.00 0.00 0.00 0.00 53.44 52.89 1n88 n ALA 4 Cb 0.00 -0.75 0.34 0.00 0.00 0.00 0.00 19.45 19.04 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 -2.86 0.00 0.20 0.00 4.11 -1.26 -4.13 117.16 113.22 1n88 n TYR 5 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.74 1n88 n TYR 5 Cb 0.95 -0.20 0.00 0.00 -0.00 0.00 0.00 39.34 40.08 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 -2.77 -3.57 0.00 9.48 2.03 -1.26 -5.05 116.55 115.40 1n88 n ASP 6 Ca 0.18 0.80 0.00 0.00 0.52 0.00 0.00 54.79 56.30 1n88 n ASP 6 Cb 1.16 3.39 0.00 0.00 -0.72 0.00 0.00 41.12 44.95 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 -3.33 0.00 -2.80 5.18 0.31 -1.24 -3.93 118.33 112.51 1n88 n VAL 7 Ca 0.00 0.13 -0.43 0.00 -0.01 0.00 0.00 64.34 64.03 1n88 n VAL 7 Cb 0.00 -0.60 -0.04 0.00 -0.91 0.00 0.00 33.84 32.29 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 4.30 0.00 2.52 1.01 -1.22 -3.44 121.20 124.37 1n88 s ILE 8 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.83 1n88 s ILE 8 Cb 0.00 -4.61 0.00 0.00 0.01 0.00 0.00 42.46 37.86 1n88 s ILE 8 CO 0.00 -1.26 0.00 0.18 0.00 0.00 0.00 174.94 173.86 1n88 n LEU 9 N 7.72 0.00 -4.72 2.97 4.77 -0.71 -4.51 117.00 122.52 1n88 n LEU 9 Ca 0.01 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.71 1n88 n LEU 9 Cb 0.47 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 1n88 n LEU 9 CO 0.65 0.00 -0.29 0.00 -1.33 0.00 0.00 177.39 176.41 1n88 s ALA 10 N -4.00 3.38 1.05 -1.18 0.00 -1.26 -4.89 121.76 114.86 1n88 s ALA 10 Ca 0.00 -1.19 -0.16 0.00 0.00 0.00 0.00 51.96 50.61 1n88 s ALA 10 Cb 0.00 -1.22 0.22 0.00 0.00 0.00 0.00 23.12 22.12 1n88 s ALA 10 CO 0.00 0.60 1.15 -1.25 0.00 0.00 0.00 175.76 176.26 1n88 s PRO 11 N -2.69 0.01 -0.06 0.00 0.04 -1.26 -0.56 135.00 130.48 1n88 s PRO 11 Ca 0.28 0.05 0.04 0.00 0.04 0.00 0.00 61.00 61.40 1n88 s PRO 11 Cb -0.11 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.68 1n88 s PRO 11 CO 0.20 -2.91 -0.16 0.14 0.04 0.00 0.00 177.00 174.31 1n88 s VAL 12 N -3.24 2.92 -0.36 -0.36 -7.23 -0.95 -4.67 120.40 106.50 1n88 s VAL 12 Ca 0.69 -0.77 -0.12 0.00 -1.81 0.00 0.00 61.98 59.97 1n88 s VAL 12 Cb -0.11 -2.14 0.01 0.00 0.56 0.00 0.00 36.38 34.69 1n88 s VAL 12 CO 0.55 0.58 0.21 -0.76 -0.31 0.00 0.00 175.10 175.37 1n88 s LEU 13 N -0.54 4.58 -0.25 1.32 2.01 -1.26 -4.75 118.68 119.79 1n88 s LEU 13 Ca 0.07 -0.74 -0.26 0.00 0.01 0.00 0.00 54.13 53.22 1n88 s LEU 13 Cb -0.11 -2.06 0.10 0.00 0.01 0.00 0.00 46.19 44.12 1n88 s LEU 13 CO 0.01 -0.31 0.86 -0.44 1.01 0.00 0.00 176.35 177.48 1n88 s SER 14 N 1.62 -0.59 0.20 2.29 0.01 -1.26 -4.99 113.70 110.97 1n88 s SER 14 Ca 0.04 1.09 -0.21 0.00 1.31 0.00 0.00 55.95 58.18 1n88 s SER 14 Cb -0.18 1.08 0.14 0.00 0.21 0.00 0.00 66.02 67.27 1n88 s SER 14 CO 0.08 -0.24 1.56 -0.08 0.41 0.00 0.00 173.24 174.97 1n88 h GLU 15 N 4.36 -0.09 -0.27 12.44 4.81 -1.98 1.88 114.58 135.73 1n88 h GLU 15 Ca -0.28 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.04 1n88 h GLU 15 Cb 1.17 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 1n88 h GLU 15 CO 0.12 -0.06 0.32 0.87 -0.73 0.00 0.00 179.01 179.53 1n88 h LYS 16 N -0.10 0.00 0.00 1.92 1.79 -1.97 -1.12 116.57 117.09 1n88 h LYS 16 Ca 0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 1n88 h LYS 16 Cb 0.56 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1n88 h LYS 16 CO -0.83 0.00 -0.31 0.00 -1.08 0.00 0.00 179.45 177.23 1n88 h ALA 17 N 1.61 0.00 -0.89 3.86 0.00 0.24 -3.10 119.26 120.97 1n88 h ALA 17 Ca 0.13 -0.35 0.24 0.00 0.00 0.00 0.00 54.91 54.93 1n88 h ALA 17 Cb 0.77 0.31 -0.14 0.00 0.00 0.00 0.00 17.79 18.74 1n88 h ALA 17 CO -0.00 0.31 0.31 1.88 0.00 0.00 0.00 179.25 181.75 1n88 h TYR 18 N -0.80 0.49 0.00 0.00 0.05 -0.29 2.60 116.97 119.02 1n88 h TYR 18 Ca 0.00 0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.83 1n88 h TYR 18 Cb 0.31 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 37.97 1n88 h TYR 18 CO -0.13 -0.16 0.00 0.00 -1.05 0.00 0.00 178.16 176.81 1n88 n ALA 19 N -2.60 2.16 -0.09 3.88 0.00 -0.44 -1.08 120.51 122.33 1n88 n ALA 19 Ca 0.23 -0.09 -0.13 0.00 0.00 0.00 0.00 53.44 53.44 1n88 n ALA 19 Cb 0.70 -1.40 -0.09 0.00 0.00 0.00 0.00 19.45 18.67 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 0.95 -0.27 0.22 0.00 0.00 0.66 -4.41 105.19 102.34 1n88 n GLY 20 Ca 0.08 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 1.61 3.57 0.35 -3.10 116.94 119.38 1n88 h PHE 21 Ca -0.42 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1n88 h PHE 21 Cb 1.65 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.39 1n88 h PHE 21 CO 0.02 0.07 0.12 0.00 -2.23 0.00 0.00 178.31 176.29 1n88 h ALA 22 N 1.93 1.09 -0.53 2.41 0.00 -1.25 0.20 119.26 123.11 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 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1n88 h ALA 22 CO 0.01 -0.09 0.00 -1.91 0.00 0.00 0.00 179.25 177.26 1n88 n GLU 23 N -2.40 3.62 -0.09 0.00 2.13 -1.17 -4.85 120.64 117.88 1n88 n GLU 23 Ca -0.02 -2.49 0.00 0.00 0.66 0.00 0.00 57.16 55.31 1n88 n GLU 23 Cb 0.16 -1.91 0.00 0.00 0.27 0.00 0.00 31.44 29.96 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 0.87 0.51 3.79 8.31 0.00 0.68 -4.89 105.19 114.46 1n88 n GLY 24 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.88 4.48 -0.36 1.61 1.02 -1.03 -2.76 119.74 121.82 1n88 s LYS 25 Ca 0.00 1.15 0.01 0.00 0.02 0.00 0.00 55.97 57.15 1n88 s LYS 25 Cb 0.00 -2.94 0.11 0.00 -0.52 0.00 0.00 37.83 34.48 1n88 s LYS 25 CO 0.00 0.39 0.13 0.71 -0.92 0.00 0.00 175.35 175.65 1n88 s TYR 26 N -1.47 2.33 -0.17 3.18 2.02 0.28 -3.91 117.35 119.60 1n88 s TYR 26 Ca 0.44 -2.27 -0.29 0.00 -0.37 0.00 0.00 57.07 54.59 1n88 s TYR 26 Cb -0.19 -2.10 -0.01 0.00 -0.40 0.00 0.00 41.96 39.26 1n88 s TYR 26 CO 0.24 -0.87 1.18 0.99 -1.57 0.00 0.00 175.55 175.52 1n88 s THR 27 N 1.06 4.42 0.32 -0.71 2.01 -1.15 0.20 115.64 121.80 1n88 s THR 27 Ca 0.12 1.72 0.10 0.00 0.31 0.00 0.00 61.69 63.94 1n88 s THR 27 Cb -0.20 -4.11 -0.06 0.00 0.01 0.00 0.00 72.50 68.14 1n88 s THR 27 CO -0.14 -0.13 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.18 1n88 s PHE 28 N 3.24 2.31 -0.23 4.92 0.08 0.75 -2.25 117.98 126.79 1n88 s PHE 28 Ca 0.51 -0.49 -0.16 0.00 0.12 0.00 0.00 56.93 56.91 1n88 s PHE 28 Cb -0.20 -1.25 -0.04 0.00 -0.57 0.00 0.00 43.02 40.97 1n88 s PHE 28 CO 0.13 0.57 0.41 -1.58 -0.10 0.00 0.00 175.22 174.65 1n88 s TRP 29 N -2.65 3.32 0.08 0.36 0.23 0.27 0.37 118.94 120.92 1n88 s TRP 29 Ca 0.31 0.56 -0.06 0.00 -2.03 0.00 0.00 56.10 54.88 1n88 s TRP 29 Cb 0.01 -2.57 -0.02 0.00 0.03 0.00 0.00 33.47 30.92 1n88 s TRP 29 CO 0.15 -0.12 0.11 0.54 0.96 0.00 0.00 176.95 178.59 1n88 s VAL 30 N 1.71 0.17 0.64 4.03 0.11 0.15 -1.74 120.40 125.46 1n88 s VAL 30 Ca 0.18 -1.42 -0.17 0.00 -2.93 0.00 0.00 61.98 57.64 1n88 s VAL 30 Cb -0.15 -1.44 -0.01 0.00 -1.53 0.00 0.00 36.38 33.25 1n88 s VAL 30 CO 0.09 -0.75 1.15 -2.28 -3.33 0.00 0.00 175.10 169.98 1n88 s HIS 31 N -3.89 2.46 -1.01 1.54 2.46 -1.22 -1.93 115.29 113.70 1n88 s HIS 31 Ca 0.07 1.55 -0.20 0.00 0.47 0.00 0.00 55.06 56.95 1n88 s HIS 31 Cb 0.06 -3.32 -0.09 0.00 -0.13 0.00 0.00 32.58 29.10 1n88 s HIS 31 CO -0.10 -1.97 1.99 -0.35 -2.47 0.00 0.00 174.74 171.84 1n88 n PRO 32 N -2.07 1.93 0.00 2.88 -0.04 -1.26 -2.86 135.00 133.57 1n88 n PRO 32 Ca 0.12 -2.18 0.00 0.00 -0.04 0.00 0.00 63.50 61.40 1n88 n PRO 32 Cb 0.51 -3.13 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 7.03 0.00 -1.50 0.54 2.85 -1.26 -5.07 118.16 120.74 1n88 n LYS 33 Ca 0.50 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 57.47 1n88 n LYS 33 Cb 0.41 0.00 -0.19 0.00 -0.65 0.00 0.00 35.03 34.60 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 0.82 -1.53 0.58 0.00 -1.14 -4.75 120.51 114.49 1n88 n ALA 34 Ca 0.00 -0.67 -0.48 0.00 0.00 0.00 0.00 53.44 52.29 1n88 n ALA 34 Cb 0.00 -2.41 -0.03 0.00 0.00 0.00 0.00 19.45 17.00 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 6.36 1.50 -0.30 0.00 -2.24 -1.26 -4.50 114.28 113.85 1n88 n THR 35 Ca 0.66 -0.38 0.06 0.00 -2.27 0.00 0.00 64.05 62.12 1n88 n THR 35 Cb 0.13 -0.60 0.15 0.00 -2.10 0.00 0.00 70.33 67.91 1n88 n THR 35 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1n88 h LYS 36 N 2.22 0.03 -0.03 -0.78 1.63 -1.97 0.34 116.57 118.01 1n88 h LYS 36 Ca -0.38 -0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.42 1n88 h LYS 36 Cb 1.38 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.99 1n88 h LYS 36 CO 0.63 0.02 -0.02 1.15 -3.45 0.00 0.00 179.45 177.78 1n88 h THR 37 N 0.03 0.94 -0.98 1.00 2.02 -1.97 -1.92 112.91 112.03 1n88 h THR 37 Ca 0.44 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.73 1n88 h THR 37 Cb 0.75 0.94 -0.08 0.00 -1.74 0.00 0.00 68.15 68.02 1n88 h THR 37 CO -0.83 0.00 0.62 -0.33 0.37 0.00 0.00 175.52 175.35 1n88 h GLU 38 N -0.02 0.94 -0.38 6.66 4.39 -0.78 0.38 114.58 125.77 1n88 h GLU 38 Ca 0.02 -0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.73 1n88 h GLU 38 Cb 0.05 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 1n88 h GLU 38 CO -0.04 0.62 0.26 0.82 -1.16 0.00 0.00 179.01 179.51 1n88 h ILE 39 N 0.97 0.92 -0.33 3.13 2.04 0.02 0.69 117.51 124.95 1n88 h ILE 39 Ca 0.47 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 66.24 1n88 h ILE 39 Cb 0.47 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1n88 h ILE 39 CO -0.23 0.04 0.14 0.50 0.00 0.00 0.00 178.15 178.60 1n88 h LYS 40 N 0.22 0.49 -0.09 2.37 3.64 0.15 -2.87 116.57 120.48 1n88 h LYS 40 Ca 0.17 -0.08 -0.16 0.00 -1.27 0.00 0.00 60.65 59.31 1n88 h LYS 40 Cb 0.40 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1n88 h LYS 40 CO -0.03 0.48 -0.63 -0.91 -2.27 0.00 0.00 179.45 176.09 1n88 h ASN 41 N 0.39 0.36 -0.47 4.20 2.35 -0.93 -2.39 115.58 119.09 1n88 h ASN 41 Ca 0.11 -0.21 0.04 0.00 -0.55 0.00 0.00 56.30 55.69 1n88 h ASN 41 Cb 0.16 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.39 1n88 h ASN 41 CO -0.01 0.90 0.23 0.00 -1.65 0.00 0.00 177.43 176.90 1n88 h ALA 42 N 1.10 0.59 0.00 -0.83 0.00 -0.72 0.76 119.26 120.16 1n88 h ALA 42 Ca -0.01 0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1n88 h ALA 42 Cb 1.16 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1n88 h ALA 42 CO 0.10 -0.12 -0.89 -0.39 0.00 0.00 0.00 179.25 177.95 1n88 h VAL 43 N 0.46 1.49 -0.35 0.00 -1.51 -1.55 0.36 116.25 115.15 1n88 h VAL 43 Ca 0.20 -2.61 -0.10 0.00 -1.23 0.00 0.00 66.70 62.97 1n88 h VAL 43 Cb 0.11 2.47 -0.01 0.00 -2.13 0.00 0.00 31.29 31.73 1n88 h VAL 43 CO -0.15 0.76 -0.15 -0.33 -1.23 0.00 0.00 177.57 176.47 1n88 h GLU 44 N 0.12 0.72 0.00 5.19 4.39 -0.85 1.38 114.58 125.53 1n88 h GLU 44 Ca -0.05 -0.31 -0.17 0.00 0.34 0.00 0.00 59.36 59.17 1n88 h GLU 44 Cb 1.52 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 30.12 1n88 h GLU 44 CO 0.14 0.91 -0.82 1.15 -1.16 0.00 0.00 179.01 179.24 1n88 h THR 45 N 0.51 1.44 0.00 1.13 2.02 0.49 -2.10 112.91 116.40 1n88 h THR 45 Ca 0.08 -2.94 -0.09 0.00 0.77 0.00 0.00 66.41 64.23 1n88 h THR 45 Cb 0.69 2.65 -0.01 0.00 -1.74 0.00 0.00 68.15 69.73 1n88 h THR 45 CO 0.05 0.80 -1.08 0.00 0.37 0.00 0.00 175.52 175.66 1n88 n ALA 46 N -2.32 0.77 0.44 6.16 0.00 0.12 -4.45 120.51 121.23 1n88 n ALA 46 Ca 0.00 -0.69 0.13 0.00 0.00 0.00 0.00 53.44 52.88 1n88 n ALA 46 Cb 0.84 -0.02 0.41 0.00 0.00 0.00 0.00 19.45 20.68 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 -1.00 0.00 -5.89 0.00 0.04 0.16 -3.47 116.94 106.79 1n88 h PHE 47 Ca -0.13 0.00 -0.38 0.00 2.80 0.00 0.00 57.97 60.25 1n88 h PHE 47 Cb 0.95 0.00 0.11 0.00 2.20 0.00 0.00 35.95 39.21 1n88 h PHE 47 CO -0.26 0.00 -0.78 1.63 -0.60 0.00 0.00 178.31 178.31 1n88 n LYS 48 N -2.54 -6.14 -0.04 1.51 5.02 -0.30 -4.92 118.16 110.75 1n88 n LYS 48 Ca 0.04 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 57.07 1n88 n LYS 48 Cb 0.39 -5.60 0.00 0.00 -0.02 0.00 0.00 35.03 29.80 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 -4.35 0.00 -3.97 -0.18 3.14 -1.25 -5.03 118.33 106.68 1n88 n VAL 49 Ca -0.22 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 60.83 1n88 n VAL 49 Cb 0.64 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 33.28 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 0.93 2.04 -0.22 1.45 2.36 -1.26 -4.70 119.74 120.34 1n88 s LYS 50 Ca 0.00 -1.54 -0.29 0.00 -2.55 0.00 0.00 55.97 51.59 1n88 s LYS 50 Cb 0.00 -3.15 0.01 0.00 -1.05 0.00 0.00 37.83 33.63 1n88 s LYS 50 CO 0.00 -0.76 1.09 0.08 1.55 0.00 0.00 175.35 177.31 1n88 s VAL 51 N 1.09 4.58 -1.15 4.02 1.01 -1.26 -2.77 120.40 125.92 1n88 s VAL 51 Ca 0.00 1.90 0.14 0.00 0.00 0.00 0.00 61.98 64.02 1n88 s VAL 51 Cb -0.20 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 1n88 s VAL 51 CO -0.05 -0.19 0.74 0.55 0.00 0.00 0.00 175.10 176.15 1n88 n VAL 52 N 5.38 0.00 0.00 2.92 3.14 0.32 -4.85 118.33 125.24 1n88 n VAL 52 Ca 0.12 -0.31 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 1n88 n VAL 52 Cb 0.46 1.13 0.00 0.00 -1.06 0.00 0.00 33.84 34.37 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 -0.43 0.00 -4.24 1.45 -0.00 -1.08 -4.93 118.16 108.93 1n88 n LYS 53 Ca 0.05 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.16 1n88 n LYS 53 Cb 0.28 0.00 -0.16 0.00 -0.00 0.00 0.00 35.03 35.15 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 -1.28 0.63 -0.15 0.58 1.01 -1.25 0.25 120.40 120.19 1n88 s VAL 54 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 1n88 s VAL 54 Cb 0.00 -0.63 0.04 0.00 0.00 0.00 0.00 36.38 35.79 1n88 s VAL 54 CO 0.00 0.24 -0.03 0.21 0.00 0.00 0.00 175.10 175.52 1n88 s ASN 55 N 0.83 2.57 0.34 3.32 2.47 0.68 -4.88 114.94 120.27 1n88 s ASN 55 Ca -0.12 -0.56 0.09 0.00 0.42 0.00 0.00 52.86 52.69 1n88 s ASN 55 Cb -0.15 -0.77 -0.05 0.00 -1.45 0.00 0.00 41.25 38.83 1n88 s ASN 55 CO 0.01 -0.20 0.03 0.28 -3.72 0.00 0.00 177.10 173.50 1n88 s THR 56 N 1.74 2.70 0.27 -5.21 -1.32 -1.25 0.28 115.64 112.84 1n88 s THR 56 Ca 0.02 -1.93 -0.09 0.00 -1.21 0.00 0.00 61.69 58.48 1n88 s THR 56 Cb -0.15 -2.83 -0.01 0.00 -1.51 0.00 0.00 72.50 68.01 1n88 s THR 56 CO -0.07 -0.20 0.43 -1.48 -2.21 0.00 0.00 174.62 171.09 1n88 s LEU 57 N -3.73 0.60 -0.26 9.08 2.34 0.73 -4.94 118.68 122.49 1n88 s LEU 57 Ca 0.35 -1.13 -0.28 0.00 0.06 0.00 0.00 54.13 53.13 1n88 s LEU 57 Cb -0.01 1.51 0.01 0.00 -0.56 0.00 0.00 46.19 47.14 1n88 s LEU 57 CO 0.20 -1.14 0.98 -2.28 -1.06 0.00 0.00 176.35 173.04 1n88 s HIS 58 N -3.78 3.27 -0.15 3.48 5.65 -1.26 -1.38 115.29 121.12 1n88 s HIS 58 Ca 0.27 1.27 0.02 0.00 0.25 0.00 0.00 55.06 56.86 1n88 s HIS 58 Cb 0.00 -3.32 0.01 0.00 -1.18 0.00 0.00 32.58 28.09 1n88 s HIS 58 CO 0.12 -0.54 -0.21 0.14 -0.65 0.00 0.00 174.74 173.60 1n88 s VAL 59 N 3.21 2.02 -0.26 0.89 -7.23 0.19 -4.90 120.40 114.32 1n88 s VAL 59 Ca 0.41 -0.94 -0.04 0.00 -1.81 0.00 0.00 61.98 59.60 1n88 s VAL 59 Cb -0.14 -1.79 0.10 0.00 0.56 0.00 0.00 36.38 35.10 1n88 s VAL 59 CO 0.09 0.54 0.16 -0.13 -0.31 0.00 0.00 175.10 175.45 1n88 s ARG 60 N 0.93 0.19 0.58 4.82 1.81 -1.26 -3.68 118.95 122.34 1n88 s ARG 60 Ca -0.04 -0.34 0.00 0.00 -1.72 0.00 0.00 55.73 53.63 1n88 s ARG 60 Cb -0.15 -1.18 0.00 0.00 -0.45 0.00 0.00 34.95 33.17 1n88 s ARG 60 CO -0.04 -0.94 0.00 0.41 -0.68 0.00 0.00 175.30 174.05 1n88 n GLY 61 N 5.27 -3.87 0.06 -3.53 0.00 -1.26 -4.71 105.19 97.15 1n88 n GLY 61 Ca -0.05 -0.80 0.12 0.00 0.00 0.00 0.00 46.02 45.28 1n88 n GLY 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1n88 n LYS 62 N -2.66 0.39 -3.85 1.61 4.81 -1.26 -5.01 118.16 112.18 1n88 n LYS 62 Ca -0.00 0.05 0.04 0.00 -0.87 0.00 0.00 58.31 57.52 1n88 n LYS 62 Cb 0.48 -1.68 0.01 0.00 0.02 0.00 0.00 35.03 33.85 1n88 n LYS 62 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1n88 s LYS 63 N -3.24 0.15 -0.88 1.64 -2.85 -1.26 -5.02 119.74 108.27 1n88 s LYS 63 Ca 0.03 -0.09 -0.03 0.00 -1.00 0.00 0.00 55.97 54.87 1n88 s LYS 63 Cb 0.13 0.04 0.00 0.00 -2.06 0.00 0.00 37.83 35.95 1n88 s LYS 63 CO 0.78 -0.07 0.76 1.17 0.10 0.00 0.00 175.35 178.08 1n88 n LYS 64 N -0.78 -5.06 0.00 1.78 3.00 -1.26 -4.88 118.16 110.96 1n88 n LYS 64 Ca -0.00 0.57 0.00 0.00 -0.00 0.00 0.00 58.31 58.88 1n88 n LYS 64 Cb 0.60 -4.81 0.00 0.00 0.00 0.00 0.00 35.03 30.82 1n88 n LYS 64 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1n88 n ARG 65 N -3.39 0.00 -2.96 1.64 1.85 -1.26 -4.90 116.66 107.64 1n88 n ARG 65 Ca -0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.75 1n88 n ARG 65 Cb 0.57 -0.34 -0.01 0.00 -1.05 0.00 0.00 32.46 31.63 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 -1.61 -5.15 -2.80 2.89 4.32 -1.26 -4.51 117.00 108.88 1n88 n LEU 66 Ca 0.00 1.20 -0.10 0.00 -0.02 0.00 0.00 56.01 57.09 1n88 n LEU 66 Cb 0.00 -2.16 -0.03 0.00 -1.62 0.00 0.00 43.42 39.61 1n88 n LEU 66 CO 0.00 -2.83 1.47 0.61 -1.22 0.00 0.00 177.39 175.42 1n88 n GLY 67 N 1.85 2.22 0.12 -0.72 0.00 -1.26 -3.54 105.19 103.86 1n88 n GLY 67 Ca -0.10 -0.48 0.02 0.00 0.00 0.00 0.00 46.02 45.46 1n88 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n88 n ARG 68 N 3.85 1.09 -3.82 1.61 5.12 -1.26 -5.07 116.66 118.17 1n88 n ARG 68 Ca 0.23 -1.29 -0.06 0.00 -1.93 0.00 0.00 57.85 54.80 1n88 n ARG 68 Cb 0.17 -0.83 -0.00 0.00 -1.16 0.00 0.00 32.46 30.64 1n88 n ARG 68 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 1n88 s TYR 69 N -0.83 -0.05 -0.19 -1.55 5.04 -1.23 -5.02 117.35 113.51 1n88 s TYR 69 Ca 0.06 -0.42 -0.03 0.00 -2.44 0.00 0.00 57.07 54.25 1n88 s TYR 69 Cb 0.05 0.72 -0.01 0.00 0.35 0.00 0.00 41.96 43.07 1n88 s TYR 69 CO 0.01 -1.16 2.68 1.28 -1.34 0.00 0.00 175.55 177.01 1n88 n LEU 70 N -0.52 5.86 0.00 6.97 4.77 -1.26 -4.78 117.00 128.04 1n88 n LEU 70 Ca -0.06 -3.26 0.00 0.00 -0.03 0.00 0.00 56.01 52.66 1n88 n LEU 70 Cb 0.60 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 1n88 n LEU 70 CO 0.19 1.44 0.00 0.61 -1.33 0.00 0.00 177.39 178.30 1n88 n GLY 71 N 1.36 -1.78 3.24 -0.72 0.00 -1.26 -4.85 105.19 101.18 1n88 n GLY 71 Ca 0.32 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 1n88 n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n88 s LYS 72 N 0.00 2.70 -0.50 1.61 -2.85 -1.26 -5.02 119.74 114.42 1n88 s LYS 72 Ca 0.00 -1.10 0.04 0.00 -1.00 0.00 0.00 55.97 53.91 1n88 s LYS 72 Cb 0.00 -3.27 0.17 0.00 -2.06 0.00 0.00 37.83 32.67 1n88 s LYS 72 CO 0.00 -0.55 0.38 0.50 0.10 0.00 0.00 175.35 175.78 1n88 s ARG 73 N 1.36 1.39 0.00 1.78 3.52 -1.26 -4.92 118.95 120.82 1n88 s ARG 73 Ca -0.02 -2.48 0.00 0.00 -0.13 0.00 0.00 55.73 53.11 1n88 s ARG 73 Cb -0.19 -2.06 0.00 0.00 -1.56 0.00 0.00 34.95 31.15 1n88 s ARG 73 CO 0.00 -1.35 0.00 -0.35 -0.81 0.00 0.00 175.30 172.79 1n88 n PRO 74 N 2.61 0.54 -3.74 5.12 -0.04 -1.26 -5.00 135.00 133.23 1n88 n PRO 74 Ca 0.26 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.36 1n88 n PRO 74 Cb 0.43 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.80 1n88 n PRO 74 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1n88 s ASP 75 N -1.25 5.16 -0.20 3.54 -4.77 -1.26 -5.01 116.67 112.89 1n88 s ASP 75 Ca 0.00 -2.94 0.00 0.00 -3.30 0.00 0.00 52.55 46.32 1n88 s ASP 75 Cb 0.00 -1.83 0.05 0.00 -1.09 0.00 0.00 42.92 40.04 1n88 s ASP 75 CO 0.00 -0.34 -0.07 -0.60 0.70 0.00 0.00 175.17 174.86 1n88 s ARG 76 N -0.18 1.70 -0.02 2.11 3.52 -1.24 -4.70 118.95 120.14 1n88 s ARG 76 Ca 0.18 -0.77 0.07 0.00 -0.13 0.00 0.00 55.73 55.08 1n88 s ARG 76 Cb -0.20 -2.32 -0.02 0.00 -1.56 0.00 0.00 34.95 30.85 1n88 s ARG 76 CO -0.03 -0.48 -0.22 0.21 -0.81 0.00 0.00 175.30 173.97 1n88 s LYS 77 N 1.48 1.83 0.03 5.12 2.20 -0.81 -0.64 119.74 128.95 1n88 s LYS 77 Ca -0.02 -0.79 -0.01 0.00 -0.36 0.00 0.00 55.97 54.80 1n88 s LYS 77 Cb -0.17 -1.75 -0.04 0.00 -1.51 0.00 0.00 37.83 34.37 1n88 s LYS 77 CO -0.08 0.46 0.16 0.15 -0.36 0.00 0.00 175.35 175.68 1n88 s LYS 78 N -0.48 3.28 -0.09 4.03 1.02 -0.48 0.31 119.74 127.33 1n88 s LYS 78 Ca 0.07 -0.45 -0.01 0.00 0.02 0.00 0.00 55.97 55.61 1n88 s LYS 78 Cb -0.09 -2.98 0.03 0.00 -0.52 0.00 0.00 37.83 34.27 1n88 s LYS 78 CO -0.01 0.63 -0.03 0.00 -0.92 0.00 0.00 175.35 175.03 1n88 s ALA 79 N -1.37 0.99 -0.39 5.17 0.00 0.16 -0.19 121.76 126.13 1n88 s ALA 79 Ca 0.29 -0.33 -0.15 0.00 0.00 0.00 0.00 51.96 51.77 1n88 s ALA 79 Cb -0.13 -0.84 0.01 0.00 0.00 0.00 0.00 23.12 22.16 1n88 s ALA 79 CO 0.21 -0.47 0.32 0.42 0.00 0.00 0.00 175.76 176.23 1n88 s ILE 80 N 1.85 5.23 -0.20 0.00 1.09 0.79 0.27 121.20 130.23 1n88 s ILE 80 Ca 0.05 -0.40 -0.07 0.00 -1.10 0.00 0.00 60.65 59.12 1n88 s ILE 80 Cb -0.13 -3.88 -0.04 0.00 -1.06 0.00 0.00 42.46 37.36 1n88 s ILE 80 CO -0.07 -0.22 0.07 -0.69 -0.10 0.00 0.00 174.94 173.93 1n88 s VAL 81 N 1.81 4.68 0.02 2.92 1.01 0.13 0.25 120.40 131.22 1n88 s VAL 81 Ca 0.07 -0.07 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 1n88 s VAL 81 Cb -0.18 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1n88 s VAL 81 CO 0.11 0.43 0.13 -1.58 0.00 0.00 0.00 175.10 174.19 1n88 s GLN 82 N 0.70 3.20 0.22 2.72 2.00 0.70 1.00 119.66 130.19 1n88 s GLN 82 Ca 0.03 -0.47 0.10 0.00 -2.00 0.00 0.00 55.36 53.02 1n88 s GLN 82 Cb -0.13 -2.93 -0.04 0.00 0.80 0.00 0.00 33.01 30.70 1n88 s GLN 82 CO 0.02 0.63 -0.13 0.14 -0.50 0.00 0.00 175.29 175.45 1n88 s VAL 83 N -1.33 2.93 1.18 1.34 -7.23 -1.11 0.12 120.40 116.30 1n88 s VAL 83 Ca 0.28 -1.92 -0.18 0.00 -1.81 0.00 0.00 61.98 58.34 1n88 s VAL 83 Cb -0.12 -2.48 0.27 0.00 0.56 0.00 0.00 36.38 34.61 1n88 s VAL 83 CO 0.20 -0.22 1.09 0.00 -0.31 0.00 0.00 175.10 175.87 1n88 s ALA 84 N -1.96 0.55 0.20 1.32 0.00 -1.11 -4.73 121.76 116.03 1n88 s ALA 84 Ca 0.26 -0.81 -0.30 0.00 0.00 0.00 0.00 51.96 51.11 1n88 s ALA 84 Cb -0.07 -2.94 -0.08 0.00 0.00 0.00 0.00 23.12 20.02 1n88 s ALA 84 CO 0.15 -3.53 1.10 -1.25 0.00 0.00 0.00 175.76 172.23 1n88 s PRO 85 N -5.28 4.61 0.00 0.00 0.04 -1.26 -3.45 135.00 129.66 1n88 s PRO 85 Ca 0.70 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.48 1n88 s PRO 85 Cb -0.12 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1n88 s PRO 85 CO 0.57 0.11 0.00 0.41 0.04 0.00 0.00 177.00 178.13 1n88 n GLY 86 N 1.83 2.57 3.81 0.56 0.00 -1.26 -5.07 105.19 107.63 1n88 n GLY 86 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1n88 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n88 n GLN 87 N -0.72 0.70 0.00 1.61 0.00 -1.22 -5.13 117.38 112.61 1n88 n GLN 87 Ca 0.00 -3.68 0.00 0.00 0.00 0.00 0.00 57.00 53.32 1n88 n GLN 87 Cb 0.00 0.73 0.00 0.00 0.00 0.00 0.00 30.24 30.97 1n88 n GLN 87 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1n88 n LYS 88 N -1.54 0.00 -1.53 2.61 2.85 -1.26 -4.93 118.16 114.36 1n88 n LYS 88 Ca -0.13 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.74 1n88 n LYS 88 Cb 0.65 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.97 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 0.15 0.58 5.41 -1.26 -4.74 119.36 119.48 1n88 n ILE 89 Ca 0.00 -0.53 0.08 0.00 1.00 0.00 0.00 62.75 63.30 1n88 n ILE 89 Cb 0.00 -2.09 0.43 0.00 -0.71 0.00 0.00 39.64 37.27 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 8.79 0.11 -0.22 0.38 0.28 -1.26 -2.54 120.64 126.18 1n88 n GLU 90 Ca 0.45 0.58 0.12 0.00 -0.16 0.00 0.00 57.16 58.15 1n88 n GLU 90 Cb 0.38 -1.83 0.41 0.00 1.43 0.00 0.00 31.44 31.83 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 2.03 1.90 0.00 -1.84 0.00 -1.94 -2.70 119.26 116.70 1n88 h ALA 91 Ca 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1n88 h ALA 91 Cb 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1n88 h ALA 91 CO 0.00 -0.11 -1.76 1.28 0.00 0.00 0.00 179.25 178.66 1n88 n LEU 92 N -4.52 0.00 -0.22 0.00 4.77 -1.05 -4.14 117.00 111.83 1n88 n LEU 92 Ca 0.15 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.16 1n88 n LEU 92 Cb 0.45 0.11 0.14 0.00 -2.33 0.00 0.00 43.42 41.79 1n88 n LEU 92 CO 0.31 0.11 0.98 -0.33 -1.33 0.00 0.00 177.39 177.12 1n88 h GLU 93 N 0.00 0.36 0.00 3.23 4.39 -1.40 -0.87 114.58 120.29 1n88 h GLU 93 Ca -0.12 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.47 1n88 h GLU 93 Cb 1.04 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 1n88 h GLU 93 CO 0.01 0.24 -0.68 0.78 -1.16 0.00 0.00 179.01 178.20 1n88 h GLY 94 N 0.37 0.00 -1.07 -3.84 0.00 -1.77 -3.30 103.07 93.47 1n88 h GLY 94 Ca 0.35 0.00 0.37 0.00 0.00 0.00 0.00 47.33 48.06 1n88 h GLY 94 CO -0.38 0.00 1.18 -2.00 0.00 0.00 0.00 176.54 175.34 1n88 h LEU 95 N 0.00 0.00 0.00 3.11 5.85 -1.31 -3.53 115.31 119.43 1n88 h LEU 95 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1n88 h LEU 95 Cb 1.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.37 1n88 h LEU 95 CO 0.05 0.00 0.00 -0.38 -0.34 0.00 0.00 178.44 177.77