#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 4.14 0.44 2.12 -0.14 -1.26 -4.77 119.74 120.27 1n88 s LYS 2 Ca 0.00 1.86 0.37 0.00 -1.36 0.00 0.00 55.97 56.84 1n88 s LYS 2 Cb 0.00 -3.89 1.42 0.00 -1.68 0.00 0.00 37.83 33.68 1n88 s LYS 2 CO 0.00 -0.86 1.36 -2.37 -0.76 0.00 0.00 175.35 172.73 1n88 n THR 3 N 5.58 -0.10 -0.41 2.17 5.66 -1.26 0.35 114.28 126.28 1n88 n THR 3 Ca 0.16 1.42 -0.23 0.00 -3.05 0.00 0.00 64.05 62.36 1n88 n THR 3 Cb 0.44 -2.35 -0.05 0.00 -1.55 0.00 0.00 70.33 66.82 1n88 n THR 3 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1n88 n ALA 4 N -2.69 1.80 -2.83 1.79 0.00 -1.26 -4.13 120.51 113.19 1n88 n ALA 4 Ca 0.37 -1.54 -0.17 0.00 0.00 0.00 0.00 53.44 52.10 1n88 n ALA 4 Cb 1.59 -3.10 -0.03 0.00 0.00 0.00 0.00 19.45 17.91 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 6.41 -0.96 -3.09 0.00 4.11 -0.85 0.13 117.16 122.92 1n88 n TYR 5 Ca 0.27 0.28 -0.14 0.00 -0.00 0.00 0.00 57.90 58.31 1n88 n TYR 5 Cb 0.20 -0.99 0.06 0.00 -0.00 0.00 0.00 39.34 38.61 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 -1.18 -6.13 0.00 9.48 2.03 1.08 -4.89 116.55 116.93 1n88 n ASP 6 Ca 0.05 -0.64 0.00 0.00 0.52 0.00 0.00 54.79 54.72 1n88 n ASP 6 Cb 0.30 -4.78 0.00 0.00 -0.72 0.00 0.00 41.12 35.93 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 0.35 -4.70 118.33 114.90 1n88 n VAL 7 Ca -0.07 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 63.94 1n88 n VAL 7 Cb 0.61 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.61 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 2.36 3.26 0.00 2.52 1.01 -1.26 -3.75 121.20 125.35 1n88 s ILE 8 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 60.65 61.14 1n88 s ILE 8 Cb 0.00 -2.99 0.00 0.00 0.01 0.00 0.00 42.46 39.48 1n88 s ILE 8 CO 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 174.94 174.48 1n88 n LEU 9 N -3.01 0.00 -4.84 2.97 -0.00 -1.15 -4.70 117.00 106.28 1n88 n LEU 9 Ca 0.10 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.74 1n88 n LEU 9 Cb 0.52 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.89 1n88 n LEU 9 CO 0.51 0.00 0.17 0.00 -0.00 0.00 0.00 177.39 178.06 1n88 s ALA 10 N -1.39 3.65 0.94 1.47 0.00 -1.26 -4.86 121.76 120.31 1n88 s ALA 10 Ca 0.00 -0.16 -0.14 0.00 0.00 0.00 0.00 51.96 51.66 1n88 s ALA 10 Cb 0.00 -2.46 0.16 0.00 0.00 0.00 0.00 23.12 20.82 1n88 s ALA 10 CO 0.00 0.47 1.20 -1.25 0.00 0.00 0.00 175.76 176.18 1n88 s PRO 11 N -1.37 0.89 -0.14 0.00 0.04 -1.26 -0.43 135.00 132.73 1n88 s PRO 11 Ca 0.29 -0.02 -0.00 0.00 0.04 0.00 0.00 61.00 61.31 1n88 s PRO 11 Cb -0.17 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 1n88 s PRO 11 CO 0.17 -2.31 -0.14 0.14 0.04 0.00 0.00 177.00 174.90 1n88 s VAL 12 N -3.51 2.86 -0.35 -0.36 -7.23 -1.01 -4.71 120.40 106.08 1n88 s VAL 12 Ca 0.67 -0.72 -0.11 0.00 -1.81 0.00 0.00 61.98 60.02 1n88 s VAL 12 Cb -0.10 -2.20 0.00 0.00 0.56 0.00 0.00 36.38 34.64 1n88 s VAL 12 CO 0.52 0.52 0.20 -0.76 -0.31 0.00 0.00 175.10 175.27 1n88 s LEU 13 N 0.62 4.49 0.17 1.32 2.01 -1.26 -4.80 118.68 121.23 1n88 s LEU 13 Ca -0.08 -0.69 -0.21 0.00 0.01 0.00 0.00 54.13 53.16 1n88 s LEU 13 Cb -0.16 -2.05 0.05 0.00 0.01 0.00 0.00 46.19 44.04 1n88 s LEU 13 CO 0.03 -0.29 0.56 -0.44 1.01 0.00 0.00 176.35 177.22 1n88 s SER 14 N 1.62 -0.43 0.09 2.29 0.01 -1.26 -4.98 113.70 111.03 1n88 s SER 14 Ca 0.04 -0.18 -0.30 0.00 1.31 0.00 0.00 55.95 56.82 1n88 s SER 14 Cb -0.18 0.58 -0.15 0.00 0.21 0.00 0.00 66.02 66.49 1n88 s SER 14 CO 0.08 -0.99 1.64 -0.33 0.41 0.00 0.00 173.24 174.04 1n88 h GLU 15 N 2.10 -0.63 -0.09 12.44 5.08 -1.97 1.79 114.58 133.31 1n88 h GLU 15 Ca -0.32 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.11 1n88 h GLU 15 Cb 1.29 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.68 1n88 h GLU 15 CO 0.38 -0.42 0.29 -0.22 -1.00 0.00 0.00 179.01 178.04 1n88 h LYS 16 N -0.65 0.00 0.00 2.33 1.63 -1.98 -1.70 116.57 116.20 1n88 h LYS 16 Ca -0.04 0.00 -0.35 0.00 -0.85 0.00 0.00 60.65 59.42 1n88 h LYS 16 Cb 0.55 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.13 1n88 h LYS 16 CO 0.01 0.00 -2.07 0.00 -3.45 0.00 0.00 179.45 173.94 1n88 n ALA 17 N -2.04 1.07 -0.30 5.00 0.00 -0.35 -3.40 120.51 120.48 1n88 n ALA 17 Ca -0.00 -0.96 0.24 0.00 0.00 0.00 0.00 53.44 52.72 1n88 n ALA 17 Cb 0.37 0.03 0.55 0.00 0.00 0.00 0.00 19.45 20.40 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 -1.00 0.52 -0.00 0.00 0.05 0.30 2.39 116.97 119.22 1n88 h TYR 18 Ca -0.52 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.28 1n88 h TYR 18 Cb 1.44 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 39.03 1n88 h TYR 18 CO -0.13 0.06 -0.45 0.00 -1.05 0.00 0.00 178.16 176.60 1n88 n ALA 19 N -2.53 3.46 -0.11 3.88 0.00 -0.66 -3.28 120.51 121.26 1n88 n ALA 19 Ca 0.24 -0.37 -0.18 0.00 0.00 0.00 0.00 53.44 53.13 1n88 n ALA 19 Cb 0.90 -1.11 -0.10 0.00 0.00 0.00 0.00 19.45 19.14 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 1.46 -0.32 0.21 0.00 0.00 0.31 -4.25 105.19 102.60 1n88 n GLY 20 Ca 0.07 -0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.23 0.00 -0.00 1.61 -0.00 0.34 -2.45 116.94 116.20 1n88 h PHE 21 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.46 1n88 h PHE 21 Cb 1.68 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.63 1n88 h PHE 21 CO -0.00 0.00 0.06 0.00 -0.00 0.00 0.00 178.31 178.37 1n88 h ALA 22 N 2.09 1.08 -0.26 12.09 0.00 -1.69 0.36 119.26 132.93 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 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1n88 h ALA 22 CO 0.00 -0.07 0.00 -1.91 0.00 0.00 0.00 179.25 177.27 1n88 n GLU 23 N -3.06 2.47 -0.45 0.00 2.13 -0.92 -4.78 120.64 116.03 1n88 n GLU 23 Ca -0.03 -1.31 0.00 0.00 0.66 0.00 0.00 57.16 56.48 1n88 n GLU 23 Cb 0.13 -1.70 0.00 0.00 0.27 0.00 0.00 31.44 30.14 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 0.44 0.75 3.74 8.31 0.00 0.06 -4.83 105.19 113.65 1n88 n GLY 24 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.55 4.59 -0.35 1.61 1.02 -0.84 -2.91 119.74 122.30 1n88 s LYS 25 Ca 0.00 1.23 0.01 0.00 0.02 0.00 0.00 55.97 57.23 1n88 s LYS 25 Cb 0.00 -3.36 0.11 0.00 -0.52 0.00 0.00 37.83 34.05 1n88 s LYS 25 CO 0.00 0.27 0.11 0.71 -0.92 0.00 0.00 175.35 175.53 1n88 s TYR 26 N -0.11 2.32 0.12 3.18 2.02 0.60 -3.96 117.35 121.51 1n88 s TYR 26 Ca 0.42 -2.21 -0.30 0.00 -0.37 0.00 0.00 57.07 54.60 1n88 s TYR 26 Cb -0.22 -2.08 -0.06 0.00 -0.40 0.00 0.00 41.96 39.19 1n88 s TYR 26 CO 0.26 -0.88 1.14 0.99 -1.57 0.00 0.00 175.55 175.50 1n88 s THR 27 N 1.17 3.98 0.25 -0.71 2.01 -1.20 -0.14 115.64 121.01 1n88 s THR 27 Ca 0.12 1.55 0.06 0.00 0.31 0.00 0.00 61.69 63.73 1n88 s THR 27 Cb -0.19 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.27 1n88 s THR 27 CO -0.16 0.19 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.53 1n88 s PHE 28 N 0.41 1.83 -0.24 4.92 0.08 0.56 -2.42 117.98 123.13 1n88 s PHE 28 Ca 0.54 -0.70 -0.15 0.00 0.12 0.00 0.00 56.93 56.73 1n88 s PHE 28 Cb -0.29 -1.00 -0.04 0.00 -0.57 0.00 0.00 43.02 41.12 1n88 s PHE 28 CO 0.32 0.25 0.38 -1.58 -0.10 0.00 0.00 175.22 174.50 1n88 s TRP 29 N -3.06 3.31 0.16 0.36 0.52 0.42 0.07 118.94 120.71 1n88 s TRP 29 Ca 0.28 0.51 -0.11 0.00 0.02 0.00 0.00 56.10 56.80 1n88 s TRP 29 Cb 0.03 -2.54 -0.00 0.00 -1.15 0.00 0.00 33.47 29.80 1n88 s TRP 29 CO 0.10 -0.12 0.32 0.54 0.02 0.00 0.00 176.95 177.81 1n88 s VAL 30 N 1.70 0.07 0.37 4.03 0.11 0.76 -2.92 120.40 124.52 1n88 s VAL 30 Ca 0.17 -1.24 -0.27 0.00 -2.93 0.00 0.00 61.98 57.71 1n88 s VAL 30 Cb -0.15 -1.72 -0.11 0.00 -1.53 0.00 0.00 36.38 32.87 1n88 s VAL 30 CO 0.09 -0.31 1.32 1.57 -3.33 0.00 0.00 175.10 174.44 1n88 n HIS 31 N -0.22 2.36 -2.32 1.54 -0.00 -1.25 0.24 115.22 115.58 1n88 n HIS 31 Ca -0.09 0.52 -0.36 0.00 0.46 0.00 0.00 57.72 58.25 1n88 n HIS 31 Cb 0.63 -2.42 -0.03 0.00 -0.12 0.00 0.00 29.99 28.04 1n88 n HIS 31 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1n88 s PRO 32 N -2.02 3.23 0.00 1.57 0.04 -1.26 -3.30 135.00 133.27 1n88 s PRO 32 Ca 0.57 -1.59 0.00 0.00 0.04 0.00 0.00 61.00 60.02 1n88 s PRO 32 Cb -0.53 -5.39 0.00 0.00 0.04 0.00 0.00 34.50 28.61 1n88 s PRO 32 CO 0.61 -3.14 0.00 0.36 0.04 0.00 0.00 177.00 174.87 1n88 n LYS 33 N 8.33 0.00 -1.54 4.56 2.85 -1.26 -5.05 118.16 126.06 1n88 n LYS 33 Ca 0.47 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 57.42 1n88 n LYS 33 Cb 0.46 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.76 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 0.62 -1.32 0.58 0.00 -1.21 -4.85 120.51 114.32 1n88 n ALA 34 Ca 0.00 -0.90 -0.39 0.00 0.00 0.00 0.00 53.44 52.15 1n88 n ALA 34 Cb 0.00 -2.98 0.02 0.00 0.00 0.00 0.00 19.45 16.49 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 7.87 0.77 -0.33 0.00 -2.24 -1.26 -4.22 114.28 114.87 1n88 n THR 35 Ca 0.47 -0.50 0.26 0.00 -2.27 0.00 0.00 64.05 62.01 1n88 n THR 35 Cb 0.39 -0.21 0.50 0.00 -2.10 0.00 0.00 70.33 68.90 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 0.13 0.16 -0.05 -0.78 1.79 -1.92 0.61 116.57 116.52 1n88 h LYS 36 Ca -0.42 -0.01 -0.25 0.00 -2.18 0.00 0.00 60.65 57.80 1n88 h LYS 36 Cb 1.43 -0.04 0.01 0.00 -1.58 0.00 0.00 32.23 32.06 1n88 h LYS 36 CO 0.44 0.11 -0.94 1.15 -1.08 0.00 0.00 179.45 179.13 1n88 h THR 37 N 0.17 1.30 -0.67 -0.16 2.02 -1.92 -3.24 112.91 110.40 1n88 h THR 37 Ca 0.76 -2.20 0.07 0.00 0.77 0.00 0.00 66.41 65.82 1n88 h THR 37 Cb 1.84 2.26 -0.06 0.00 -1.74 0.00 0.00 68.15 70.45 1n88 h THR 37 CO -0.70 0.68 0.35 -0.33 0.37 0.00 0.00 175.52 175.89 1n88 h GLU 38 N 0.41 0.60 -0.30 6.66 5.08 -0.08 0.87 114.58 127.81 1n88 h GLU 38 Ca -0.10 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.31 1n88 h GLU 38 Cb 1.58 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 1n88 h GLU 38 CO 0.18 0.40 0.21 0.82 -1.00 0.00 0.00 179.01 179.62 1n88 h ILE 39 N 0.62 0.87 -0.74 3.13 2.04 -1.30 -1.84 117.51 120.28 1n88 h ILE 39 Ca 0.32 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 66.21 1n88 h ILE 39 Cb 0.27 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 1n88 h ILE 39 CO -0.23 0.01 0.45 0.50 0.00 0.00 0.00 178.15 178.88 1n88 h LYS 40 N 0.04 0.83 -0.17 2.37 3.64 -0.86 -2.67 116.57 119.74 1n88 h LYS 40 Ca 0.14 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1n88 h LYS 40 Cb 0.52 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1n88 h LYS 40 CO -0.01 0.55 0.04 -0.91 -2.27 0.00 0.00 179.45 176.85 1n88 h ASN 41 N 0.86 0.02 -0.10 4.20 2.35 -1.34 -1.42 115.58 120.15 1n88 h ASN 41 Ca 0.31 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 56.06 1n88 h ASN 41 Cb 0.10 0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 1n88 h ASN 41 CO -0.14 0.04 -0.05 0.00 -1.65 0.00 0.00 177.43 175.63 1n88 h ALA 42 N 1.12 0.13 -0.30 -0.83 0.00 -1.62 -2.47 119.26 115.30 1n88 h ALA 42 Ca 0.08 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1n88 h ALA 42 Cb 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1n88 h ALA 42 CO -0.10 -0.09 0.19 -0.24 0.00 0.00 0.00 179.25 179.01 1n88 h VAL 43 N -0.16 1.06 -0.72 0.00 3.04 -1.46 1.32 116.25 119.32 1n88 h VAL 43 Ca 0.02 -0.14 0.06 0.00 -1.01 0.00 0.00 66.70 65.64 1n88 h VAL 43 Cb 0.51 0.64 -0.06 0.00 -2.01 0.00 0.00 31.29 30.36 1n88 h VAL 43 CO 0.01 0.07 0.42 -0.33 -1.01 0.00 0.00 177.57 176.73 1n88 h GLU 44 N 0.39 0.74 0.00 4.17 4.39 -1.28 1.45 114.58 124.44 1n88 h GLU 44 Ca 0.11 -0.04 -0.15 0.00 0.34 0.00 0.00 59.36 59.62 1n88 h GLU 44 Cb -0.03 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.43 1n88 h GLU 44 CO -0.03 0.49 -0.71 1.15 -1.16 0.00 0.00 179.01 178.75 1n88 h THR 45 N 0.76 1.25 0.00 1.13 2.02 -0.94 -0.27 112.91 116.86 1n88 h THR 45 Ca 0.32 -2.68 0.00 0.00 0.77 0.00 0.00 66.41 64.83 1n88 h THR 45 Cb 0.19 2.56 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 1n88 h THR 45 CO -0.18 0.69 -0.18 0.00 0.37 0.00 0.00 175.52 176.22 1n88 h ALA 46 N 1.29 0.00 0.00 6.16 0.00 0.28 -3.36 119.26 123.63 1n88 h ALA 46 Ca -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1n88 h ALA 46 Cb 1.50 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 1n88 h ALA 46 CO 0.09 0.18 -0.05 0.74 0.00 0.00 0.00 179.25 180.21 1n88 h PHE 47 N -0.84 0.00 -5.13 0.00 0.04 0.18 -3.47 116.94 107.72 1n88 h PHE 47 Ca 0.00 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.43 1n88 h PHE 47 Cb 0.18 0.00 0.12 0.00 2.20 0.00 0.00 35.95 38.45 1n88 h PHE 47 CO -0.08 0.05 -0.58 1.63 -0.60 0.00 0.00 178.31 178.73 1n88 n LYS 48 N -3.16 -6.82 -0.79 1.51 5.02 -0.11 -5.00 118.16 108.81 1n88 n LYS 48 Ca 0.01 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 1n88 n LYS 48 Cb 0.36 -5.40 0.00 0.00 -0.02 0.00 0.00 35.03 29.97 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 -4.65 0.00 -3.84 -0.18 3.14 -1.22 -5.03 118.33 106.54 1n88 n VAL 49 Ca 0.01 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.03 1n88 n VAL 49 Cb 0.55 -0.03 -0.13 0.00 -1.06 0.00 0.00 33.84 33.17 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 -0.16 2.31 0.04 1.45 2.36 -1.26 -4.74 119.74 119.73 1n88 s LYS 50 Ca 0.00 -1.44 -0.30 0.00 -2.55 0.00 0.00 55.97 51.68 1n88 s LYS 50 Cb 0.00 -3.36 -0.04 0.00 -1.05 0.00 0.00 37.83 33.38 1n88 s LYS 50 CO 0.00 -0.78 1.04 0.08 1.55 0.00 0.00 175.35 177.24 1n88 s VAL 51 N 1.24 4.56 -0.26 4.02 1.01 -1.26 -2.73 120.40 126.97 1n88 s VAL 51 Ca -0.00 1.88 0.05 0.00 0.00 0.00 0.00 61.98 63.91 1n88 s VAL 51 Cb -0.21 -4.20 -0.06 0.00 0.00 0.00 0.00 36.38 31.91 1n88 s VAL 51 CO -0.02 0.17 0.24 0.55 0.00 0.00 0.00 175.10 176.04 1n88 n VAL 52 N 3.73 0.00 0.00 2.92 3.14 0.48 -4.81 118.33 123.79 1n88 n VAL 52 Ca 0.06 -0.38 0.00 0.00 -2.96 0.00 0.00 64.34 61.07 1n88 n VAL 52 Cb 0.49 1.00 0.00 0.00 -1.06 0.00 0.00 33.84 34.28 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 -1.09 0.00 -4.47 1.45 2.85 -1.18 -4.92 118.16 110.79 1n88 n LYS 53 Ca 0.01 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.93 1n88 n LYS 53 Cb 0.08 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.36 1n88 n LYS 53 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1n88 s VAL 54 N 0.00 3.93 -0.16 0.58 0.11 -1.25 0.22 120.40 123.83 1n88 s VAL 54 Ca 0.00 -0.49 -0.01 0.00 -2.93 0.00 0.00 61.98 58.55 1n88 s VAL 54 Cb 0.00 -2.66 0.04 0.00 -1.53 0.00 0.00 36.38 32.23 1n88 s VAL 54 CO 0.00 0.53 -0.04 0.20 -3.33 0.00 0.00 175.10 172.45 1n88 s ASN 55 N -1.07 2.70 0.25 3.54 -0.87 0.86 -4.86 114.94 115.50 1n88 s ASN 55 Ca 0.15 -0.61 0.08 0.00 -1.57 0.00 0.00 52.86 50.91 1n88 s ASN 55 Cb -0.11 -0.85 -0.04 0.00 -0.02 0.00 0.00 41.25 40.23 1n88 s ASN 55 CO 0.04 -0.19 0.11 0.42 -2.57 0.00 0.00 177.10 174.91 1n88 s THR 56 N 1.68 4.03 0.34 1.60 -4.23 -1.26 0.30 115.64 118.10 1n88 s THR 56 Ca 0.01 -1.61 -0.03 0.00 -1.18 0.00 0.00 61.69 58.88 1n88 s THR 56 Cb -0.15 -3.17 0.00 0.00 1.34 0.00 0.00 72.50 70.53 1n88 s THR 56 CO -0.08 -0.35 0.48 -1.48 -0.54 0.00 0.00 174.62 172.65 1n88 s LEU 57 N -3.75 0.95 0.15 4.79 0.05 -0.76 -4.95 118.68 115.17 1n88 s LEU 57 Ca 0.32 -1.45 -0.30 0.00 0.05 0.00 0.00 54.13 52.76 1n88 s LEU 57 Cb -0.07 1.51 -0.07 0.00 -2.05 0.00 0.00 46.19 45.50 1n88 s LEU 57 CO 0.23 -1.30 1.13 -2.28 -0.55 0.00 0.00 176.35 173.58 1n88 s HIS 58 N -3.10 3.54 -0.16 3.48 5.65 -1.26 -3.30 115.29 120.14 1n88 s HIS 58 Ca 0.30 1.52 0.02 0.00 0.25 0.00 0.00 55.06 57.15 1n88 s HIS 58 Cb -0.00 -3.32 0.02 0.00 -1.18 0.00 0.00 32.58 28.09 1n88 s HIS 58 CO 0.19 -0.80 -0.20 0.14 -0.65 0.00 0.00 174.74 173.42 1n88 s VAL 59 N 0.05 1.98 -0.65 0.89 -7.23 -1.26 -4.89 120.40 109.29 1n88 s VAL 59 Ca 0.52 -0.91 -0.34 0.00 -1.81 0.00 0.00 61.98 59.44 1n88 s VAL 59 Cb -0.30 -1.78 -0.18 0.00 0.56 0.00 0.00 36.38 34.68 1n88 s VAL 59 CO 0.34 0.53 2.12 0.54 -0.31 0.00 0.00 175.10 178.33 1n88 n ARG 60 N 4.41 0.00 0.00 4.82 3.00 -1.26 -4.65 116.66 122.98 1n88 n ARG 60 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.64 1n88 n ARG 60 Cb 0.51 -1.33 0.00 0.00 0.00 0.00 0.00 32.46 31.64 1n88 n ARG 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1n88 n GLY 61 N 6.22 2.15 0.00 -0.13 0.00 -1.26 -4.89 105.19 107.27 1n88 n GLY 61 Ca 0.53 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.67 1n88 n GLY 61 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1n88 n LYS 62 N 0.00 3.46 0.00 1.61 2.85 0.14 -3.25 118.16 122.97 1n88 n LYS 62 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1n88 n LYS 62 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1n88 n LYS 62 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1n88 n LYS 63 N -0.01 0.86 -3.11 -1.58 5.02 -1.26 -2.52 118.16 115.56 1n88 n LYS 63 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 1n88 n LYS 63 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.06 1n88 n LYS 63 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1n88 n LYS 64 N -0.11 -1.90 0.00 1.97 5.02 -1.26 -4.75 118.16 117.13 1n88 n LYS 64 Ca 0.00 0.99 0.05 0.00 -2.02 0.00 0.00 58.31 57.32 1n88 n LYS 64 Cb 0.00 -5.59 -0.02 0.00 -0.02 0.00 0.00 35.03 29.40 1n88 n LYS 64 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1n88 n ARG 65 N -2.77 2.74 -1.48 1.97 1.85 -1.26 -4.40 116.66 113.32 1n88 n ARG 65 Ca -0.05 -0.39 -0.61 0.00 -1.00 0.00 0.00 57.85 55.80 1n88 n ARG 65 Cb 0.58 -1.03 -0.10 0.00 -1.05 0.00 0.00 32.46 30.87 1n88 n ARG 65 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1n88 n LEU 66 N -0.59 1.23 -2.88 2.89 4.32 -1.26 -4.25 117.00 116.46 1n88 n LEU 66 Ca 0.03 0.86 -0.11 0.00 -0.02 0.00 0.00 56.01 56.77 1n88 n LEU 66 Cb 0.18 -0.96 -0.02 0.00 -1.62 0.00 0.00 43.42 41.00 1n88 n LEU 66 CO 0.14 -0.75 1.55 0.61 -1.22 0.00 0.00 177.39 177.72 1n88 n GLY 67 N 5.93 2.29 0.86 -0.72 0.00 -1.26 -3.59 105.19 108.70 1n88 n GLY 67 Ca 0.43 -0.48 0.01 0.00 0.00 0.00 0.00 46.02 45.98 1n88 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1n88 n ARG 68 N 4.03 0.00 -2.70 1.61 1.85 -1.26 -4.87 116.66 115.32 1n88 n ARG 68 Ca 0.23 -1.36 -0.07 0.00 -1.00 0.00 0.00 57.85 55.65 1n88 n ARG 68 Cb 0.15 -0.31 0.10 0.00 -1.05 0.00 0.00 32.46 31.34 1n88 n ARG 68 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 1n88 n TYR 69 N 0.18 -2.35 -4.32 2.89 9.36 -1.24 -4.96 117.16 116.72 1n88 n TYR 69 Ca 0.02 -1.84 -0.38 0.00 3.32 0.00 0.00 57.90 59.01 1n88 n TYR 69 Cb 0.86 1.57 -0.06 0.00 -0.63 0.00 0.00 39.34 41.08 1n88 n TYR 69 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 1n88 n LEU 70 N -0.37 -0.93 -4.45 2.98 7.94 -1.26 -4.89 117.00 116.01 1n88 n LEU 70 Ca -0.03 -1.07 -0.22 0.00 -1.11 0.00 0.00 56.01 53.58 1n88 n LEU 70 Cb 0.80 -1.65 -0.10 0.00 0.53 0.00 0.00 43.42 43.00 1n88 n LEU 70 CO -0.06 0.13 -0.35 -0.83 -1.11 0.00 0.00 177.39 175.16 1n88 s GLY 71 N -3.15 1.93 0.00 -3.96 0.00 -1.26 -5.08 107.32 95.80 1n88 s GLY 71 Ca 0.76 -1.96 0.00 0.00 0.00 0.00 0.00 44.72 43.51 1n88 s GLY 71 CO 0.93 -1.87 0.00 0.58 0.00 0.00 0.00 173.10 172.74 1n88 n LYS 72 N -0.64 0.00 -3.59 2.90 2.85 -1.26 -4.48 118.16 113.94 1n88 n LYS 72 Ca -0.05 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 57.03 1n88 n LYS 72 Cb 0.64 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.88 1n88 n LYS 72 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1n88 s ARG 73 N 0.00 0.11 0.00 -1.58 1.81 -1.26 -5.04 118.95 112.99 1n88 s ARG 73 Ca 0.00 0.38 0.00 0.00 -1.72 0.00 0.00 55.73 54.39 1n88 s ARG 73 Cb 0.00 -0.76 0.00 0.00 -0.45 0.00 0.00 34.95 33.74 1n88 s ARG 73 CO 0.00 -0.48 0.00 -0.35 -0.68 0.00 0.00 175.30 173.79 1n88 n PRO 74 N 5.32 0.57 -3.79 3.54 -0.04 -1.20 -3.98 135.00 135.42 1n88 n PRO 74 Ca -0.05 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.06 1n88 n PRO 74 Cb 0.50 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.85 1n88 n PRO 74 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1n88 s ASP 75 N -1.00 4.97 0.20 3.54 -1.08 -1.05 0.25 116.67 122.51 1n88 s ASP 75 Ca 0.00 -2.90 -0.02 0.00 -0.52 0.00 0.00 52.55 49.11 1n88 s ASP 75 Cb 0.00 -1.79 -0.05 0.00 -1.46 0.00 0.00 42.92 39.62 1n88 s ASP 75 CO 0.00 -0.33 0.41 0.00 0.52 0.00 0.00 175.17 175.77 1n88 s ARG 76 N -0.14 3.55 0.01 4.34 3.03 -1.20 -4.02 118.95 124.52 1n88 s ARG 76 Ca 0.17 -0.25 0.07 0.00 2.03 0.00 0.00 55.73 57.75 1n88 s ARG 76 Cb -0.22 -2.82 -0.02 0.00 -1.03 0.00 0.00 34.95 30.86 1n88 s ARG 76 CO -0.02 0.39 -0.21 0.21 -1.13 0.00 0.00 175.30 174.53 1n88 s LYS 77 N -3.23 1.60 -0.13 3.89 2.20 0.66 -4.25 119.74 120.49 1n88 s LYS 77 Ca 0.40 -0.85 -0.07 0.00 -0.36 0.00 0.00 55.97 55.08 1n88 s LYS 77 Cb -0.11 -1.63 -0.04 0.00 -1.51 0.00 0.00 37.83 34.54 1n88 s LYS 77 CO 0.28 0.43 0.13 0.21 -0.36 0.00 0.00 175.35 176.04 1n88 s LYS 78 N -0.81 3.52 -0.09 4.03 2.20 -1.21 0.27 119.74 127.65 1n88 s LYS 78 Ca 0.08 -0.17 -0.01 0.00 -0.36 0.00 0.00 55.97 55.51 1n88 s LYS 78 Cb -0.09 -3.19 0.03 0.00 -1.51 0.00 0.00 37.83 33.07 1n88 s LYS 78 CO 0.00 0.70 -0.02 0.00 -0.36 0.00 0.00 175.35 175.67 1n88 s ALA 79 N -0.80 0.95 -0.41 3.13 0.00 0.11 -1.82 121.76 122.93 1n88 s ALA 79 Ca 0.14 -0.32 -0.15 0.00 0.00 0.00 0.00 51.96 51.62 1n88 s ALA 79 Cb -0.12 -0.84 0.02 0.00 0.00 0.00 0.00 23.12 22.19 1n88 s ALA 79 CO 0.03 -0.49 0.31 0.42 0.00 0.00 0.00 175.76 176.03 1n88 s ILE 80 N 1.87 5.25 -0.17 0.00 1.01 0.87 0.21 121.20 130.23 1n88 s ILE 80 Ca 0.05 -0.66 -0.13 0.00 0.00 0.00 0.00 60.65 59.90 1n88 s ILE 80 Cb -0.13 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 1n88 s ILE 80 CO -0.06 -0.32 0.27 -0.69 0.00 0.00 0.00 174.94 174.14 1n88 s VAL 81 N 1.69 5.32 0.14 2.92 1.01 0.80 0.30 120.40 132.58 1n88 s VAL 81 Ca 0.05 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1n88 s VAL 81 Cb -0.19 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1n88 s VAL 81 CO 0.10 0.38 0.30 -1.58 0.00 0.00 0.00 175.10 174.30 1n88 s GLN 82 N 0.55 3.47 0.23 2.72 2.00 0.59 -0.29 119.66 128.93 1n88 s GLN 82 Ca 0.15 -0.45 0.12 0.00 -2.00 0.00 0.00 55.36 53.17 1n88 s GLN 82 Cb -0.13 -2.94 -0.05 0.00 0.80 0.00 0.00 33.01 30.69 1n88 s GLN 82 CO 0.03 0.51 -0.21 0.14 -0.50 0.00 0.00 175.29 175.26 1n88 s VAL 83 N -1.71 2.45 1.24 1.34 -7.23 -1.14 0.18 120.40 115.53 1n88 s VAL 83 Ca 0.36 -2.17 -0.20 0.00 -1.81 0.00 0.00 61.98 58.16 1n88 s VAL 83 Cb -0.12 -2.23 0.30 0.00 0.56 0.00 0.00 36.38 34.90 1n88 s VAL 83 CO 0.28 -0.23 1.11 0.00 -0.31 0.00 0.00 175.10 175.95 1n88 s ALA 84 N -2.01 0.57 0.30 1.32 0.00 -1.11 -4.72 121.76 116.12 1n88 s ALA 84 Ca 0.25 -1.06 -0.29 0.00 0.00 0.00 0.00 51.96 50.87 1n88 s ALA 84 Cb -0.07 -2.84 -0.10 0.00 0.00 0.00 0.00 23.12 20.12 1n88 s ALA 84 CO 0.12 -3.71 1.13 -1.25 0.00 0.00 0.00 175.76 172.05 1n88 s PRO 85 N -5.49 4.52 0.00 0.00 0.04 -1.26 -3.52 135.00 129.29 1n88 s PRO 85 Ca 0.72 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.60 1n88 s PRO 85 Cb -0.08 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1n88 s PRO 85 CO 0.56 0.09 0.00 0.41 0.04 0.00 0.00 177.00 178.10 1n88 n GLY 86 N 1.03 2.71 3.97 0.56 0.00 -1.26 -5.05 105.19 107.14 1n88 n GLY 86 Ca -0.00 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 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 2.36 0.00 1.61 0.00 -1.23 -5.13 119.66 117.27 1n88 s GLN 87 Ca 0.00 -1.73 0.00 0.00 -0.00 0.00 0.00 55.36 53.63 1n88 s GLN 87 Cb 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 33.01 30.58 1n88 s GLN 87 CO 0.00 -0.64 0.00 0.36 0.00 0.00 0.00 175.29 175.01 1n88 n LYS 88 N -1.96 0.00 -1.64 9.60 2.85 -1.26 -4.89 118.16 120.86 1n88 n LYS 88 Ca 0.08 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.91 1n88 n LYS 88 Cb 0.62 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.97 1n88 n LYS 88 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1n88 s ILE 89 N 0.00 3.05 -0.71 0.58 1.01 -1.26 -4.81 121.20 119.06 1n88 s ILE 89 Ca 0.00 0.05 0.26 0.00 0.00 0.00 0.00 60.65 60.96 1n88 s ILE 89 Cb 0.00 -3.08 0.28 0.00 0.01 0.00 0.00 42.46 39.67 1n88 s ILE 89 CO 0.00 -0.05 1.77 -1.84 0.00 0.00 0.00 174.94 174.82 1n88 n GLU 90 N 8.76 0.23 0.06 2.79 0.28 -1.26 -3.44 120.64 128.06 1n88 n GLU 90 Ca 0.30 0.24 0.19 0.00 -0.16 0.00 0.00 57.16 57.72 1n88 n GLU 90 Cb 0.46 -1.79 0.72 0.00 1.43 0.00 0.00 31.44 32.26 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 2.51 2.30 0.00 -1.84 0.00 -1.99 -1.88 119.26 118.37 1n88 h ALA 91 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1n88 h ALA 91 Cb 0.65 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1n88 h ALA 91 CO 0.00 -0.55 -1.78 1.28 0.00 0.00 0.00 179.25 178.19 1n88 n LEU 92 N -4.20 0.00 0.18 0.00 4.77 -1.23 -4.10 117.00 112.43 1n88 n LEU 92 Ca 0.07 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.24 1n88 n LEU 92 Cb 0.53 0.11 0.80 0.00 -2.33 0.00 0.00 43.42 42.53 1n88 n LEU 92 CO 0.34 0.11 1.16 -0.33 -1.33 0.00 0.00 177.39 177.34 1n88 h GLU 93 N 0.00 0.00 0.02 3.23 4.39 -1.36 -1.35 114.58 119.51 1n88 h GLU 93 Ca -0.12 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.21 1n88 h GLU 93 Cb 1.07 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.66 1n88 h GLU 93 CO 0.01 0.00 -2.31 0.41 -1.16 0.00 0.00 179.01 175.95 1n88 n GLY 94 N -1.39 -0.62 0.47 -3.84 0.00 -1.18 -4.22 105.19 94.41 1n88 n GLY 94 Ca 0.03 -0.22 0.29 0.00 0.00 0.00 0.00 46.02 46.12 1n88 n GLY 94 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n88 h LEU 95 N 0.01 0.14 0.00 0.99 4.07 -1.40 -3.53 115.31 115.59 1n88 h LEU 95 Ca -0.52 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.46 1n88 h LEU 95 Cb 2.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.77 1n88 h LEU 95 CO -0.01 0.03 0.00 2.30 -1.08 0.00 0.00 178.44 179.68