#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n88 s LYS 2 N 0.00 4.05 0.00 2.12 1.02 -1.26 -4.62 119.74 121.05 1n88 s LYS 2 Ca 0.00 -2.81 0.00 0.00 0.02 0.00 0.00 55.97 53.18 1n88 s LYS 2 Cb 0.00 -4.73 0.00 0.00 -0.52 0.00 0.00 37.83 32.58 1n88 s LYS 2 CO 0.00 -1.46 0.00 -2.37 -0.92 0.00 0.00 175.35 170.60 1n88 n THR 3 N 3.68 0.00 0.39 2.17 5.66 -1.26 -4.49 114.28 120.43 1n88 n THR 3 Ca 0.27 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.40 1n88 n THR 3 Cb 0.42 0.00 0.37 0.00 -1.55 0.00 0.00 70.33 69.57 1n88 n THR 3 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1n88 h ALA 4 N 1.00 1.00 -3.00 1.79 0.00 -1.76 -3.07 119.26 115.22 1n88 h ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n88 h ALA 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1n88 h ALA 4 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 179.25 181.73 1n88 n TYR 5 N -2.71 0.00 -0.25 0.00 4.11 -1.26 -3.30 117.16 113.75 1n88 n TYR 5 Ca 0.04 0.00 -0.05 0.00 -0.00 0.00 0.00 57.90 57.89 1n88 n TYR 5 Cb 0.42 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.73 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 -0.57 0.00 9.48 8.00 -1.26 -3.42 116.55 128.78 1n88 n ASP 6 Ca 0.00 1.06 0.00 0.00 0.71 0.00 0.00 54.79 56.56 1n88 n ASP 6 Cb 0.00 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 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 -4.79 0.00 -2.90 2.53 0.31 -1.26 -2.34 118.33 109.88 1n88 n VAL 7 Ca 0.03 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.93 1n88 n VAL 7 Cb 0.18 -0.58 -0.04 0.00 -0.91 0.00 0.00 33.84 32.48 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 4.46 0.00 2.52 1.01 -1.16 -0.74 121.20 127.29 1n88 s ILE 8 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.61 1n88 s ILE 8 Cb 0.00 -4.54 0.00 0.00 0.01 0.00 0.00 42.46 37.93 1n88 s ILE 8 CO 0.00 -1.15 0.00 0.18 0.00 0.00 0.00 174.94 173.97 1n88 n LEU 9 N 7.29 0.00 -4.75 2.97 4.77 0.28 -4.19 117.00 123.36 1n88 n LEU 9 Ca -0.01 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.74 1n88 n LEU 9 Cb 0.46 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 1n88 n LEU 9 CO 0.62 0.00 -0.23 0.00 -1.33 0.00 0.00 177.39 176.45 1n88 s ALA 10 N -3.04 3.42 0.93 -1.18 0.00 -1.17 -4.87 121.76 115.86 1n88 s ALA 10 Ca 0.00 -1.48 -0.13 0.00 0.00 0.00 0.00 51.96 50.35 1n88 s ALA 10 Cb 0.00 -1.12 0.15 0.00 0.00 0.00 0.00 23.12 22.16 1n88 s ALA 10 CO 0.00 0.29 1.15 -1.25 0.00 0.00 0.00 175.76 175.95 1n88 s PRO 11 N -3.67 0.95 -0.10 0.00 0.04 -1.26 0.18 135.00 131.13 1n88 s PRO 11 Ca 0.32 0.22 0.02 0.00 0.04 0.00 0.00 61.00 61.59 1n88 s PRO 11 Cb -0.08 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 1n88 s PRO 11 CO 0.23 -2.31 -0.15 0.14 0.04 0.00 0.00 177.00 174.94 1n88 s VAL 12 N -3.30 2.87 -0.43 -0.36 -7.23 -0.66 -4.51 120.40 106.77 1n88 s VAL 12 Ca 0.65 -0.75 -0.12 0.00 -1.81 0.00 0.00 61.98 59.95 1n88 s VAL 12 Cb -0.14 -2.16 0.06 0.00 0.56 0.00 0.00 36.38 34.70 1n88 s VAL 12 CO 0.53 0.55 0.30 -0.76 -0.31 0.00 0.00 175.10 175.41 1n88 s LEU 13 N 0.04 5.22 -0.27 1.32 2.01 -1.26 -4.83 118.68 120.92 1n88 s LEU 13 Ca -0.06 -1.27 -0.25 0.00 0.01 0.00 0.00 54.13 52.56 1n88 s LEU 13 Cb -0.15 -2.08 0.11 0.00 0.01 0.00 0.00 46.19 44.08 1n88 s LEU 13 CO 0.05 -0.53 0.94 -0.44 1.01 0.00 0.00 176.35 177.37 1n88 s SER 14 N 2.11 -0.53 0.34 2.29 0.01 -1.26 -5.02 113.70 111.65 1n88 s SER 14 Ca 0.03 0.99 0.14 0.00 1.31 0.00 0.00 55.95 58.43 1n88 s SER 14 Cb -0.22 0.99 1.10 0.00 0.21 0.00 0.00 66.02 68.10 1n88 s SER 14 CO 0.05 -0.20 1.63 -0.08 0.41 0.00 0.00 173.24 175.05 1n88 h GLU 15 N 4.29 0.18 -0.24 12.44 4.81 -1.97 1.76 114.58 135.84 1n88 h GLU 15 Ca -0.28 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.01 1n88 h GLU 15 Cb 1.17 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 1n88 h GLU 15 CO 0.11 0.12 0.32 -0.22 -0.73 0.00 0.00 179.01 178.61 1n88 h LYS 16 N 0.19 0.00 0.00 1.92 3.11 -1.97 0.15 116.57 119.97 1n88 h LYS 16 Ca 0.74 0.00 -0.39 0.00 -2.81 0.00 0.00 60.65 58.19 1n88 h LYS 16 Cb 1.75 0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 32.93 1n88 h LYS 16 CO -0.69 0.00 -2.29 0.00 -2.81 0.00 0.00 179.45 173.67 1n88 n ALA 17 N -2.25 1.22 -0.14 5.00 0.00 0.58 -3.87 120.51 121.05 1n88 n ALA 17 Ca 0.03 -1.03 -0.04 0.00 0.00 0.00 0.00 53.44 52.41 1n88 n ALA 17 Cb 0.45 0.14 0.05 0.00 0.00 0.00 0.00 19.45 20.09 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 -0.96 0.21 0.00 0.00 0.05 -0.92 2.20 116.97 117.55 1n88 h TYR 18 Ca -0.59 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.22 1n88 h TYR 18 Cb 1.51 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 39.22 1n88 h TYR 18 CO -0.13 0.04 0.00 0.00 -1.05 0.00 0.00 178.16 177.02 1n88 n ALA 19 N -2.45 1.54 -0.11 3.88 0.00 0.52 -2.01 120.51 121.88 1n88 n ALA 19 Ca 0.04 -0.04 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1n88 n ALA 19 Cb 0.20 -1.18 -0.12 0.00 0.00 0.00 0.00 19.45 18.35 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 -0.34 -0.41 0.48 0.00 0.00 0.27 -3.96 105.19 101.23 1n88 n GLY 20 Ca 0.03 -0.18 0.28 0.00 0.00 0.00 0.00 46.02 46.15 1n88 n GLY 20 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1n88 h PHE 21 N -0.12 0.00 -0.89 1.61 -1.00 0.38 -0.61 116.94 116.32 1n88 h PHE 21 Ca -0.56 0.00 0.32 0.00 2.81 0.00 0.00 57.97 60.53 1n88 h PHE 21 Cb 1.88 0.00 -0.16 0.00 3.61 0.00 0.00 35.95 41.28 1n88 h PHE 21 CO 0.03 0.00 0.28 0.00 -1.61 0.00 0.00 178.31 177.00 1n88 n ALA 22 N -2.50 0.71 0.22 2.45 0.00 -1.08 0.16 120.51 120.48 1n88 n ALA 22 Ca 0.18 0.93 0.11 0.00 0.00 0.00 0.00 53.44 54.66 1n88 n ALA 22 Cb 1.06 -0.81 -0.05 0.00 0.00 0.00 0.00 19.45 19.65 1n88 n ALA 22 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1n88 n GLU 23 N -5.14 0.52 0.00 0.00 2.13 -0.24 -4.94 120.64 112.97 1n88 n GLU 23 Ca 0.28 -0.02 0.00 0.00 0.66 0.00 0.00 57.16 58.09 1n88 n GLU 23 Cb 0.94 -1.66 0.00 0.00 0.27 0.00 0.00 31.44 30.99 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 1.27 0.92 3.70 8.31 0.00 0.42 -4.73 105.19 115.08 1n88 n GLY 24 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 4.45 -0.18 1.61 1.02 -1.23 -3.36 119.74 122.05 1n88 s LYS 25 Ca 0.00 1.19 0.00 0.00 0.02 0.00 0.00 55.97 57.18 1n88 s LYS 25 Cb 0.00 -3.49 0.04 0.00 -0.52 0.00 0.00 37.83 33.86 1n88 s LYS 25 CO 0.00 -0.12 -0.07 0.71 -0.92 0.00 0.00 175.35 174.95 1n88 s TYR 26 N 1.35 2.01 -0.15 3.18 2.02 0.92 -2.78 117.35 123.90 1n88 s TYR 26 Ca 0.45 -1.31 -0.28 0.00 -0.37 0.00 0.00 57.07 55.55 1n88 s TYR 26 Cb -0.19 -1.45 -0.01 0.00 -0.40 0.00 0.00 41.96 39.91 1n88 s TYR 26 CO 0.20 -0.67 0.95 0.99 -1.57 0.00 0.00 175.55 175.45 1n88 s THR 27 N 1.53 4.80 0.10 -0.71 2.01 -1.17 -0.48 115.64 121.72 1n88 s THR 27 Ca -0.00 1.91 0.09 0.00 0.31 0.00 0.00 61.69 64.00 1n88 s THR 27 Cb -0.16 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 1n88 s THR 27 CO -0.08 -0.02 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.23 1n88 s PHE 28 N 2.25 2.08 -0.12 4.92 0.08 0.40 -1.65 117.98 125.93 1n88 s PHE 28 Ca 0.44 -0.40 -0.29 0.00 0.12 0.00 0.00 56.93 56.80 1n88 s PHE 28 Cb -0.17 -1.16 -0.02 0.00 -0.57 0.00 0.00 43.02 41.10 1n88 s PHE 28 CO 0.14 0.24 1.17 -1.58 -0.10 0.00 0.00 175.22 175.09 1n88 s TRP 29 N -1.03 3.14 0.07 0.36 0.52 0.48 0.22 118.94 122.69 1n88 s TRP 29 Ca 0.10 1.23 0.02 0.00 0.02 0.00 0.00 56.10 57.47 1n88 s TRP 29 Cb -0.10 -3.40 -0.03 0.00 -1.15 0.00 0.00 33.47 28.79 1n88 s TRP 29 CO 0.04 -1.18 -0.07 0.14 0.02 0.00 0.00 176.95 175.90 1n88 s VAL 30 N 2.75 0.61 0.15 4.03 -7.23 0.56 1.00 120.40 122.27 1n88 s VAL 30 Ca 0.53 -1.48 -0.34 0.00 -1.81 0.00 0.00 61.98 58.87 1n88 s VAL 30 Cb -0.21 -1.11 -0.15 0.00 0.56 0.00 0.00 36.38 35.47 1n88 s VAL 30 CO 0.17 -0.61 1.44 1.57 -0.31 0.00 0.00 175.10 177.36 1n88 n HIS 31 N 0.76 1.92 -1.11 2.82 -0.00 0.08 -3.12 115.22 116.57 1n88 n HIS 31 Ca -0.18 0.45 -0.37 0.00 0.46 0.00 0.00 57.72 58.08 1n88 n HIS 31 Cb 0.57 -2.44 -0.09 0.00 -0.12 0.00 0.00 29.99 27.92 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 2.81 0.76 0.00 1.57 -0.04 -1.26 -1.80 135.00 137.03 1n88 n PRO 32 Ca 0.17 -1.61 0.00 0.00 -0.04 0.00 0.00 63.50 62.02 1n88 n PRO 32 Cb 0.25 -3.04 0.00 0.00 -0.04 0.00 0.00 33.50 30.67 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 7.73 0.00 -1.50 0.54 2.85 -1.26 -5.04 118.16 121.47 1n88 n LYS 33 Ca 0.47 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 57.41 1n88 n LYS 33 Cb 0.43 0.00 -0.17 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 0.65 -1.42 0.58 0.00 -0.75 -4.69 120.51 114.89 1n88 n ALA 34 Ca 0.00 -0.57 -0.56 0.00 0.00 0.00 0.00 53.44 52.31 1n88 n ALA 34 Cb 0.00 -2.41 -0.08 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 6.78 0.00 -0.57 0.00 -2.24 -1.26 -4.41 114.28 112.58 1n88 n THR 35 Ca 0.65 0.00 0.46 0.00 -2.27 0.00 0.00 64.05 62.88 1n88 n THR 35 Cb 0.11 -0.09 0.76 0.00 -2.10 0.00 0.00 70.33 69.02 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 3.10 0.02 0.04 -0.78 1.57 -1.91 0.73 116.57 119.34 1n88 h LYS 36 Ca -0.46 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1n88 h LYS 36 Cb 1.30 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1n88 h LYS 36 CO 0.65 0.02 -0.02 1.15 -0.57 0.00 0.00 179.45 180.68 1n88 h THR 37 N 0.02 1.36 -0.95 -0.16 2.02 -1.92 -3.01 112.91 110.28 1n88 h THR 37 Ca 0.85 -1.43 0.11 0.00 0.77 0.00 0.00 66.41 66.70 1n88 h THR 37 Cb 3.19 2.29 -0.07 0.00 -1.74 0.00 0.00 68.15 71.81 1n88 h THR 37 CO -0.13 0.35 0.61 -0.33 0.37 0.00 0.00 175.52 176.39 1n88 h GLU 38 N -0.70 0.92 -0.25 6.66 5.08 0.08 0.36 114.58 126.73 1n88 h GLU 38 Ca -0.01 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.35 1n88 h GLU 38 Cb 0.62 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1n88 h GLU 38 CO 0.01 0.61 0.17 0.82 -1.00 0.00 0.00 179.01 179.62 1n88 h ILE 39 N 0.94 0.92 -0.22 3.13 2.04 -0.97 -0.96 117.51 122.39 1n88 h ILE 39 Ca 0.45 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 66.28 1n88 h ILE 39 Cb 0.44 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1n88 h ILE 39 CO -0.21 0.02 0.11 0.50 0.00 0.00 0.00 178.15 178.56 1n88 h LYS 40 N 0.08 0.31 -0.09 2.37 3.64 -0.14 -2.92 116.57 119.83 1n88 h LYS 40 Ca 0.11 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.29 1n88 h LYS 40 Cb 0.35 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1n88 h LYS 40 CO -0.01 0.31 -0.64 -0.91 -2.27 0.00 0.00 179.45 175.93 1n88 h ASN 41 N 0.23 0.38 -0.01 4.20 2.35 -1.20 -3.04 115.58 118.50 1n88 h ASN 41 Ca 0.08 -0.23 0.01 0.00 -0.55 0.00 0.00 56.30 55.61 1n88 h ASN 41 Cb 0.10 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 1n88 h ASN 41 CO -0.01 0.92 -0.06 0.00 -1.65 0.00 0.00 177.43 176.63 1n88 h ALA 42 N 1.08 -0.06 -0.23 -0.83 0.00 -1.04 -1.95 119.26 116.22 1n88 h ALA 42 Ca -0.01 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1n88 h ALA 42 Cb 1.18 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1n88 h ALA 42 CO 0.11 -0.56 -0.11 -0.39 0.00 0.00 0.00 179.25 178.30 1n88 h VAL 43 N -0.11 1.20 -0.14 0.00 -1.51 -1.58 -2.08 116.25 112.03 1n88 h VAL 43 Ca 0.03 -0.87 0.04 0.00 -1.23 0.00 0.00 66.70 64.67 1n88 h VAL 43 Cb 0.15 1.15 -0.01 0.00 -2.13 0.00 0.00 31.29 30.45 1n88 h VAL 43 CO -0.07 0.28 0.11 -0.33 -1.23 0.00 0.00 177.57 176.33 1n88 h GLU 44 N 0.35 0.00 0.01 5.19 4.39 -1.25 0.80 114.58 124.08 1n88 h GLU 44 Ca 0.07 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 1n88 h GLU 44 Cb 0.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1n88 h GLU 44 CO 0.02 0.00 -0.13 1.79 -1.16 0.00 0.00 179.01 179.53 1n88 h THR 45 N 0.00 1.67 0.00 1.13 1.35 -0.91 -2.40 112.91 113.75 1n88 h THR 45 Ca 0.07 -2.15 -0.03 0.00 -0.55 0.00 0.00 66.41 63.75 1n88 h THR 45 Cb 0.28 3.11 -0.00 0.00 -1.73 0.00 0.00 68.15 69.81 1n88 h THR 45 CO -0.00 0.57 -0.23 0.00 -0.25 0.00 0.00 175.52 175.61 1n88 h ALA 46 N 0.12 0.03 0.00 6.62 0.00 -1.38 -3.33 119.26 121.32 1n88 h ALA 46 Ca -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1n88 h ALA 46 Cb 1.01 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1n88 h ALA 46 CO 0.03 0.17 0.00 1.19 0.00 0.00 0.00 179.25 180.64 1n88 n PHE 47 N -4.67 0.24 -4.29 0.00 3.72 0.28 -4.87 117.46 107.87 1n88 n PHE 47 Ca -0.08 0.09 -0.32 0.00 -0.05 0.00 0.00 57.45 57.09 1n88 n PHE 47 Cb 0.25 -0.64 -0.08 0.00 -0.94 0.00 0.00 39.48 38.07 1n88 n PHE 47 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1n88 n LYS 48 N -1.71 -1.40 -0.85 -1.08 5.02 -0.90 -4.91 118.16 112.32 1n88 n LYS 48 Ca 0.04 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 1n88 n LYS 48 Cb 0.21 -4.00 0.00 0.00 -0.02 0.00 0.00 35.03 31.22 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 -4.46 0.00 -3.97 -0.18 3.14 -1.26 -5.04 118.33 106.57 1n88 n VAL 49 Ca -0.23 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 60.81 1n88 n VAL 49 Cb 0.65 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 33.29 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 -0.27 2.36 0.41 1.45 2.36 -1.26 -4.70 119.74 120.09 1n88 s LYS 50 Ca 0.00 -1.30 -0.22 0.00 -2.55 0.00 0.00 55.97 51.90 1n88 s LYS 50 Cb 0.00 -3.08 -0.10 0.00 -1.05 0.00 0.00 37.83 33.61 1n88 s LYS 50 CO 0.00 -0.60 0.98 0.08 1.55 0.00 0.00 175.35 177.36 1n88 s VAL 51 N 1.20 4.12 0.00 4.02 1.01 -1.26 -2.82 120.40 126.67 1n88 s VAL 51 Ca -0.07 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.37 1n88 s VAL 51 Cb -0.20 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1n88 s VAL 51 CO -0.03 -0.15 0.47 0.55 0.00 0.00 0.00 175.10 175.94 1n88 n VAL 52 N -0.35 0.02 0.00 2.92 3.14 0.70 -4.64 118.33 120.12 1n88 n VAL 52 Ca 0.06 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.41 1n88 n VAL 52 Cb 0.52 1.08 0.00 0.00 -1.06 0.00 0.00 33.84 34.38 1n88 n VAL 52 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1n88 n LYS 53 N -0.01 0.00 -3.92 1.45 5.02 -1.18 -4.88 118.16 114.64 1n88 n LYS 53 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 1n88 n LYS 53 Cb 0.47 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.34 1n88 n LYS 53 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1n88 s VAL 54 N 0.00 3.17 -0.24 -0.18 1.01 -1.25 0.66 120.40 123.57 1n88 s VAL 54 Ca 0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 1n88 s VAL 54 Cb 0.00 -2.54 0.03 0.00 0.00 0.00 0.00 36.38 33.87 1n88 s VAL 54 CO 0.00 0.29 -0.08 0.20 0.00 0.00 0.00 175.10 175.51 1n88 s ASN 55 N 1.41 4.18 0.37 3.32 0.01 0.77 -4.84 114.94 120.16 1n88 s ASN 55 Ca 0.03 -0.86 0.08 0.00 -0.71 0.00 0.00 52.86 51.40 1n88 s ASN 55 Cb -0.16 -1.64 -0.05 0.00 0.41 0.00 0.00 41.25 39.81 1n88 s ASN 55 CO -0.04 -0.11 0.10 0.28 -1.51 0.00 0.00 177.10 175.82 1n88 s THR 56 N 1.31 2.55 0.16 1.60 -1.32 -1.25 0.29 115.64 118.98 1n88 s THR 56 Ca 0.00 -1.82 -0.22 0.00 -1.21 0.00 0.00 61.69 58.45 1n88 s THR 56 Cb -0.16 -2.92 0.06 0.00 -1.51 0.00 0.00 72.50 67.97 1n88 s THR 56 CO -0.05 -0.11 0.57 -1.48 -2.21 0.00 0.00 174.62 171.33 1n88 s LEU 57 N -3.81 -0.37 0.07 9.08 0.05 0.58 -4.92 118.68 119.36 1n88 s LEU 57 Ca 0.38 -0.10 -0.30 0.00 0.05 0.00 0.00 54.13 54.15 1n88 s LEU 57 Cb 0.01 2.46 -0.05 0.00 -2.05 0.00 0.00 46.19 46.56 1n88 s LEU 57 CO 0.21 -0.97 1.14 -2.28 -0.55 0.00 0.00 176.35 173.90 1n88 s HIS 58 N -3.77 3.50 -0.03 3.48 5.65 -1.26 -0.45 115.29 122.41 1n88 s HIS 58 Ca 0.02 1.42 0.07 0.00 0.25 0.00 0.00 55.06 56.82 1n88 s HIS 58 Cb -0.01 -3.34 -0.02 0.00 -1.18 0.00 0.00 32.58 28.04 1n88 s HIS 58 CO -0.12 -0.93 -0.25 0.14 -0.65 0.00 0.00 174.74 172.93 1n88 s VAL 59 N 0.86 1.99 0.23 0.89 -7.23 0.19 -4.90 120.40 112.43 1n88 s VAL 59 Ca 0.56 -1.06 0.09 0.00 -1.81 0.00 0.00 61.98 59.76 1n88 s VAL 59 Cb -0.28 -1.66 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 1n88 s VAL 59 CO 0.30 0.56 -0.01 -0.13 -0.31 0.00 0.00 175.10 175.51 1n88 s ARG 60 N -0.43 2.31 0.04 4.82 1.81 -1.26 -3.49 118.95 122.75 1n88 s ARG 60 Ca 0.05 -1.30 0.04 0.00 -1.72 0.00 0.00 55.73 52.80 1n88 s ARG 60 Cb -0.11 -2.23 -0.04 0.00 -0.45 0.00 0.00 34.95 32.13 1n88 s ARG 60 CO 0.01 0.40 -0.05 0.20 -0.68 0.00 0.00 175.30 175.18 1n88 s GLY 61 N -3.35 1.82 -0.20 -3.53 0.00 -1.26 -5.01 107.32 95.78 1n88 s GLY 61 Ca 0.29 -1.08 0.14 0.00 0.00 0.00 0.00 44.72 44.08 1n88 s GLY 61 CO 0.19 -0.99 1.35 0.58 0.00 0.00 0.00 173.10 174.22 1n88 n LYS 62 N 1.12 2.06 -0.90 2.90 2.85 -1.26 -4.60 118.16 120.33 1n88 n LYS 62 Ca -0.14 -2.93 -0.07 0.00 -1.05 0.00 0.00 58.31 54.13 1n88 n LYS 62 Cb 0.52 -1.73 0.24 0.00 -0.65 0.00 0.00 35.03 33.41 1n88 n LYS 62 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1n88 n LYS 63 N -0.99 2.67 0.00 -1.58 2.85 -1.26 -4.63 118.16 115.22 1n88 n LYS 63 Ca 0.23 -3.06 0.00 0.00 -1.05 0.00 0.00 58.31 54.43 1n88 n LYS 63 Cb 0.85 -2.02 0.00 0.00 -0.65 0.00 0.00 35.03 33.21 1n88 n LYS 63 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1n88 n LYS 64 N -0.74 0.00 -0.01 -1.58 0.00 -1.26 -5.03 118.16 109.53 1n88 n LYS 64 Ca 0.39 0.00 -0.00 0.00 0.00 0.00 0.00 58.31 58.70 1n88 n LYS 64 Cb 1.25 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 36.25 1n88 n LYS 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1n88 n ARG 65 N 0.00 2.02 -2.37 1.64 0.63 -1.26 -4.89 116.66 112.42 1n88 n ARG 65 Ca 0.00 -0.02 -0.01 0.00 -0.92 0.00 0.00 57.85 56.90 1n88 n ARG 65 Cb 0.00 -1.11 -0.01 0.00 0.45 0.00 0.00 32.46 31.79 1n88 n ARG 65 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1n88 n LEU 66 N -1.96 -5.42 -4.47 6.15 7.99 -1.26 -4.37 117.00 113.66 1n88 n LEU 66 Ca -0.05 2.42 -0.12 0.00 -0.01 0.00 0.00 56.01 58.26 1n88 n LEU 66 Cb 0.43 -2.92 -0.10 0.00 -0.11 0.00 0.00 43.42 40.72 1n88 n LEU 66 CO 0.09 -2.89 1.14 0.61 -1.51 0.00 0.00 177.39 174.83 1n88 n GLY 67 N 1.89 -0.33 3.24 -0.72 0.00 -1.26 -4.81 105.19 103.20 1n88 n GLY 67 Ca -0.06 0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1n88 n GLY 67 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1n88 s ARG 68 N 7.96 1.17 0.62 1.61 1.70 -1.26 -5.10 118.95 125.64 1n88 s ARG 68 Ca 0.73 -1.59 -0.19 0.00 -0.47 0.00 0.00 55.73 54.22 1n88 s ARG 68 Cb -0.10 -0.13 -0.02 0.00 -0.57 0.00 0.00 34.95 34.12 1n88 s ARG 68 CO 0.16 -0.22 1.27 1.52 -1.08 0.00 0.00 175.30 176.95 1n88 s TYR 69 N -3.80 2.19 -1.58 5.89 1.13 -1.26 -2.77 117.35 117.16 1n88 s TYR 69 Ca 0.29 1.49 -0.05 0.00 -1.41 0.00 0.00 57.07 57.39 1n88 s TYR 69 Cb 0.07 -3.63 0.05 0.00 -1.10 0.00 0.00 41.96 37.34 1n88 s TYR 69 CO 0.07 -2.69 0.24 -0.11 -2.51 0.00 0.00 175.55 170.55 1n88 n LEU 70 N -1.75 -1.29 -4.09 -3.49 0.00 -1.26 -4.83 117.00 100.30 1n88 n LEU 70 Ca 0.15 -1.19 -0.37 0.00 0.00 0.00 0.00 56.01 54.60 1n88 n LEU 70 Cb 0.48 -1.77 0.08 0.00 0.00 0.00 0.00 43.42 42.21 1n88 n LEU 70 CO 0.46 0.40 -1.60 0.61 0.00 0.00 0.00 177.39 177.26 1n88 n GLY 71 N -2.15 -2.90 3.46 -3.96 0.00 -1.12 -4.94 105.19 93.58 1n88 n GLY 71 Ca -0.23 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.47 3.59 -0.03 1.61 -2.85 -1.26 -5.09 119.74 113.24 1n88 s LYS 72 Ca 0.43 -0.56 0.00 0.00 -1.00 0.00 0.00 55.97 54.84 1n88 s LYS 72 Cb 0.02 -2.89 0.03 0.00 -2.06 0.00 0.00 37.83 32.93 1n88 s LYS 72 CO 0.67 0.18 -0.00 1.03 0.10 0.00 0.00 175.35 177.32 1n88 s ARG 73 N 0.52 0.35 0.00 1.78 0.52 -1.26 -4.75 118.95 116.11 1n88 s ARG 73 Ca -0.04 0.06 -0.00 0.00 -0.52 0.00 0.00 55.73 55.23 1n88 s ARG 73 Cb -0.15 -0.52 0.00 0.00 0.52 0.00 0.00 34.95 34.81 1n88 s ARG 73 CO 0.03 -0.13 0.00 -0.35 0.02 0.00 0.00 175.30 174.87 1n88 n PRO 74 N 4.15 -0.64 -3.84 3.54 -0.04 -1.26 -5.01 135.00 131.89 1n88 n PRO 74 Ca -0.26 -0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.87 1n88 n PRO 74 Cb 0.50 -0.00 -0.12 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 -1.32 4.77 -0.15 3.54 1.11 -1.26 -4.96 116.67 118.40 1n88 s ASP 75 Ca 0.00 -3.03 -0.09 0.00 0.18 0.00 0.00 52.55 49.62 1n88 s ASP 75 Cb -0.00 -1.74 -0.04 0.00 1.07 0.00 0.00 42.92 42.21 1n88 s ASP 75 CO 0.00 -0.28 0.16 -0.13 1.18 0.00 0.00 175.17 176.10 1n88 s ARG 76 N -0.31 3.78 -0.10 8.23 3.00 -1.23 -4.43 118.95 127.90 1n88 s ARG 76 Ca 0.18 -0.13 0.03 0.00 0.00 0.00 0.00 55.73 55.81 1n88 s ARG 76 Cb -0.22 -3.29 0.01 0.00 0.00 0.00 0.00 34.95 31.45 1n88 s ARG 76 CO -0.03 0.57 -0.19 0.21 0.00 0.00 0.00 175.30 175.86 1n88 s LYS 77 N -0.44 2.57 0.03 3.54 2.20 -1.18 0.55 119.74 127.01 1n88 s LYS 77 Ca 0.13 -0.70 -0.00 0.00 -0.36 0.00 0.00 55.97 55.03 1n88 s LYS 77 Cb -0.12 -2.04 -0.04 0.00 -1.51 0.00 0.00 37.83 34.12 1n88 s LYS 77 CO 0.02 0.06 0.17 0.15 -0.36 0.00 0.00 175.35 175.39 1n88 s LYS 78 N 0.64 3.31 -0.14 4.03 1.02 0.40 0.21 119.74 129.21 1n88 s LYS 78 Ca -0.13 -0.45 0.00 0.00 0.02 0.00 0.00 55.97 55.41 1n88 s LYS 78 Cb -0.16 -2.99 0.03 0.00 -0.52 0.00 0.00 37.83 34.18 1n88 s LYS 78 CO 0.04 0.63 -0.11 0.00 -0.92 0.00 0.00 175.35 174.99 1n88 s ALA 79 N -1.40 1.65 -0.41 5.17 0.00 0.58 -0.30 121.76 127.05 1n88 s ALA 79 Ca 0.30 -0.81 -0.17 0.00 0.00 0.00 0.00 51.96 51.29 1n88 s ALA 79 Cb -0.13 -1.04 0.02 0.00 0.00 0.00 0.00 23.12 21.98 1n88 s ALA 79 CO 0.23 -0.48 0.41 0.42 0.00 0.00 0.00 175.76 176.34 1n88 s ILE 80 N 1.57 5.11 -0.15 0.00 1.01 0.83 0.15 121.20 129.73 1n88 s ILE 80 Ca 0.04 -0.35 -0.05 0.00 0.00 0.00 0.00 60.65 60.29 1n88 s ILE 80 Cb -0.13 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 1n88 s ILE 80 CO -0.09 -0.38 0.02 -0.69 0.00 0.00 0.00 174.94 173.80 1n88 s VAL 81 N 2.07 4.43 0.16 2.92 1.01 0.37 0.27 120.40 131.62 1n88 s VAL 81 Ca 0.11 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 61.99 1n88 s VAL 81 Cb -0.17 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1n88 s VAL 81 CO 0.13 0.52 -0.02 -1.58 0.00 0.00 0.00 175.10 174.14 1n88 s GLN 82 N -0.03 2.35 0.20 2.72 2.00 0.21 -0.05 119.66 127.05 1n88 s GLN 82 Ca 0.04 -1.08 0.09 0.00 -2.00 0.00 0.00 55.36 52.41 1n88 s GLN 82 Cb -0.13 -2.35 -0.04 0.00 0.80 0.00 0.00 33.01 31.29 1n88 s GLN 82 CO 0.02 0.47 -0.09 0.14 -0.50 0.00 0.00 175.29 175.33 1n88 s VAL 83 N -1.61 3.17 1.01 1.34 -7.23 -1.21 0.25 120.40 116.11 1n88 s VAL 83 Ca 0.26 -1.76 -0.13 0.00 -1.81 0.00 0.00 61.98 58.54 1n88 s VAL 83 Cb -0.10 -2.60 0.18 0.00 0.56 0.00 0.00 36.38 34.42 1n88 s VAL 83 CO 0.18 -0.18 0.36 0.00 -0.31 0.00 0.00 175.10 175.15 1n88 n ALA 84 N -0.16 -0.61 -1.77 1.32 0.00 -1.13 -4.75 120.51 113.42 1n88 n ALA 84 Ca -0.10 -1.03 -0.39 0.00 0.00 0.00 0.00 53.44 51.93 1n88 n ALA 84 Cb 0.56 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 19.12 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 -3.50 4.33 0.00 0.00 0.04 -1.26 -3.23 135.00 131.38 1n88 s PRO 85 Ca 0.36 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.20 1n88 s PRO 85 Cb -0.06 -2.89 0.00 0.00 0.04 0.00 0.00 34.50 31.58 1n88 s PRO 85 CO 0.32 -0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.71 1n88 n GLY 86 N 0.82 2.71 3.91 0.56 0.00 -1.26 -5.02 105.19 106.91 1n88 n GLY 86 Ca 0.02 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 1.49 0.00 1.61 -0.21 -1.20 -5.07 119.66 116.28 1n88 s GLN 87 Ca 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 55.36 55.26 1n88 s GLN 87 Cb 0.00 -1.93 0.00 0.00 1.00 0.00 0.00 33.01 32.08 1n88 s GLN 87 CO 0.00 -1.87 0.00 0.36 -2.12 0.00 0.00 175.29 171.66 1n88 n LYS 88 N -3.45 0.00 -1.51 2.91 2.85 -1.26 -4.92 118.16 112.78 1n88 n LYS 88 Ca 0.11 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.96 1n88 n LYS 88 Cb 0.60 0.00 -0.13 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 -0.01 0.54 0.58 5.41 -1.26 -4.70 119.36 119.92 1n88 n ILE 89 Ca 0.00 -0.12 0.12 0.00 1.00 0.00 0.00 62.75 63.75 1n88 n ILE 89 Cb 0.00 -0.86 0.45 0.00 -0.71 0.00 0.00 39.64 38.52 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 8.57 0.20 0.21 0.38 1.02 -1.26 -3.30 120.64 126.47 1n88 n GLU 90 Ca 0.61 0.29 0.18 0.00 -0.02 0.00 0.00 57.16 58.23 1n88 n GLU 90 Cb 0.11 -1.80 0.83 0.00 -0.02 0.00 0.00 31.44 30.56 1n88 n GLU 90 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n88 h ALA 91 N 2.44 1.74 0.00 0.62 0.00 -1.94 -1.18 119.26 120.94 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 0.54 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1n88 h ALA 91 CO 0.00 -0.39 -1.80 1.28 0.00 0.00 0.00 179.25 178.35 1n88 n LEU 92 N -3.52 0.00 0.31 0.00 4.77 -1.21 -3.73 117.00 113.62 1n88 n LEU 92 Ca 0.02 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.18 1n88 n LEU 92 Cb 0.41 0.11 1.01 0.00 -2.33 0.00 0.00 43.42 42.62 1n88 n LEU 92 CO 0.24 0.11 1.13 -0.33 -1.33 0.00 0.00 177.39 177.21 1n88 h GLU 93 N 0.00 0.00 0.00 3.23 4.39 -1.30 -2.35 114.58 118.55 1n88 h GLU 93 Ca -0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1n88 h GLU 93 Cb 1.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1n88 h GLU 93 CO 0.01 0.01 -1.50 0.41 -1.16 0.00 0.00 179.01 176.78 1n88 n GLY 94 N -1.15 -0.53 0.35 -3.84 0.00 -1.14 -4.45 105.19 94.44 1n88 n GLY 94 Ca -0.03 -0.29 0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.50 -3.52 115.31 117.12 1n88 h LEU 95 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1n88 h LEU 95 Cb 0.54 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1n88 h LEU 95 CO 0.00 0.00 0.00 -0.38 -0.34 0.00 0.00 178.44 177.72