#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 3.70 0.00 3.17 5.02 -1.26 -4.40 118.16 124.39 1n88 n LYS 2 Ca 0.00 -3.04 0.00 0.00 -2.02 0.00 0.00 58.31 53.25 1n88 n LYS 2 Cb 0.00 -2.91 0.00 0.00 -0.02 0.00 0.00 35.03 32.10 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 3.39 0.00 1.39 -0.18 -2.24 -1.26 -4.26 114.28 111.13 1n88 n THR 3 Ca 0.56 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.48 1n88 n THR 3 Cb 0.31 0.00 0.62 0.00 -2.10 0.00 0.00 70.33 69.16 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 -3.00 2.74 -1.00 6.98 0.00 -1.23 -4.02 120.51 120.98 1n88 n ALA 4 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1n88 n ALA 4 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 -1.02 0.00 -0.21 0.00 4.11 -1.26 -2.27 117.16 116.52 1n88 n TYR 5 Ca 0.14 0.00 -0.05 0.00 -0.00 0.00 0.00 57.90 57.99 1n88 n TYR 5 Cb 0.28 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.58 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 -0.50 0.00 9.48 9.92 -1.26 -3.57 116.55 130.62 1n88 n ASP 6 Ca 0.00 0.89 0.00 0.00 -0.53 0.00 0.00 54.79 55.15 1n88 n ASP 6 Cb 0.00 -0.13 0.00 0.00 -0.64 0.00 0.00 41.12 40.35 1n88 n ASP 6 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1n88 n VAL 7 N -4.65 0.00 -2.77 2.53 0.31 -1.26 -2.33 118.33 110.16 1n88 n VAL 7 Ca 0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.92 1n88 n VAL 7 Cb 0.14 -0.33 -0.04 0.00 -0.91 0.00 0.00 33.84 32.71 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 4.26 0.00 2.52 1.01 -1.24 -2.14 121.20 125.61 1n88 s ILE 8 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.95 1n88 s ILE 8 Cb 0.00 -4.63 0.00 0.00 0.01 0.00 0.00 42.46 37.84 1n88 s ILE 8 CO 0.00 -1.27 0.00 0.18 0.00 0.00 0.00 174.94 173.85 1n88 n LEU 9 N 7.83 0.00 -4.80 2.97 4.77 0.46 -4.05 117.00 124.18 1n88 n LEU 9 Ca 0.02 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.76 1n88 n LEU 9 Cb 0.48 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.51 1n88 n LEU 9 CO 0.66 0.00 -0.20 0.00 -1.33 0.00 0.00 177.39 176.51 1n88 s ALA 10 N -3.54 3.54 0.68 -1.18 0.00 -1.26 -4.86 121.76 115.15 1n88 s ALA 10 Ca 0.00 -1.35 -0.11 0.00 0.00 0.00 0.00 51.96 50.50 1n88 s ALA 10 Cb 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 23.12 21.83 1n88 s ALA 10 CO 0.00 0.36 1.06 -1.25 0.00 0.00 0.00 175.76 175.93 1n88 s PRO 11 N -3.50 3.04 -0.23 0.00 0.04 -1.26 -1.90 135.00 131.18 1n88 s PRO 11 Ca 0.32 0.81 -0.02 0.00 0.04 0.00 0.00 61.00 62.15 1n88 s PRO 11 Cb -0.09 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.46 1n88 s PRO 11 CO 0.24 -0.99 -0.08 0.54 0.04 0.00 0.00 177.00 176.75 1n88 s VAL 12 N -3.13 2.85 -0.39 -0.36 0.11 -1.14 -4.81 120.40 113.54 1n88 s VAL 12 Ca 0.57 -0.93 -0.15 0.00 -2.93 0.00 0.00 61.98 58.54 1n88 s VAL 12 Cb -0.13 -2.39 0.01 0.00 -1.53 0.00 0.00 36.38 32.33 1n88 s VAL 12 CO 0.54 0.28 0.33 -0.76 -3.33 0.00 0.00 175.10 172.16 1n88 s LEU 13 N 1.34 4.82 0.09 2.54 2.01 -1.26 -4.77 118.68 123.45 1n88 s LEU 13 Ca 0.02 -0.64 -0.19 0.00 0.01 0.00 0.00 54.13 53.32 1n88 s LEU 13 Cb -0.16 -2.23 0.05 0.00 0.01 0.00 0.00 46.19 43.86 1n88 s LEU 13 CO -0.05 -0.41 0.47 -0.94 1.01 0.00 0.00 176.35 176.42 1n88 s SER 14 N 1.73 -0.36 0.12 2.29 1.04 -1.26 -4.94 113.70 112.32 1n88 s SER 14 Ca 0.08 -0.06 -0.28 0.00 0.48 0.00 0.00 55.95 56.17 1n88 s SER 14 Cb -0.18 0.49 -0.08 0.00 0.10 0.00 0.00 66.02 66.35 1n88 s SER 14 CO 0.11 -0.79 1.48 -0.08 0.98 0.00 0.00 173.24 174.93 1n88 h GLU 15 N 2.55 -0.20 0.00 4.02 4.22 -1.97 2.44 114.58 125.64 1n88 h GLU 15 Ca -0.32 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.13 1n88 h GLU 15 Cb 1.24 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1n88 h GLU 15 CO 0.43 -0.14 0.23 0.87 -2.18 0.00 0.00 179.01 178.23 1n88 h LYS 16 N -0.21 0.00 0.00 1.92 1.57 -1.97 -1.11 116.57 116.77 1n88 h LYS 16 Ca 0.09 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.52 1n88 h LYS 16 Cb 0.46 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.71 1n88 h LYS 16 CO -0.64 0.00 -2.16 0.00 -0.57 0.00 0.00 179.45 176.08 1n88 n ALA 17 N -1.80 1.11 0.29 3.86 0.00 0.54 -3.67 120.51 120.85 1n88 n ALA 17 Ca -0.02 -1.01 -0.17 0.00 0.00 0.00 0.00 53.44 52.24 1n88 n ALA 17 Cb 0.27 0.08 -0.09 0.00 0.00 0.00 0.00 19.45 19.72 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 -1.14 0.00 0.00 0.05 0.37 1.37 116.97 116.63 1n88 h TYR 18 Ca -0.54 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.24 1n88 h TYR 18 Cb 1.46 0.43 0.00 0.00 1.01 0.00 0.00 36.73 39.64 1n88 h TYR 18 CO -0.15 -0.59 0.00 0.00 -1.05 0.00 0.00 178.16 176.36 1n88 n ALA 19 N -2.70 1.26 -0.05 3.88 0.00 -0.45 -1.61 120.51 120.83 1n88 n ALA 19 Ca -0.12 0.09 -0.20 0.00 0.00 0.00 0.00 53.44 53.21 1n88 n ALA 19 Cb 0.42 -1.24 -0.13 0.00 0.00 0.00 0.00 19.45 18.50 1n88 n ALA 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1n88 h GLY 20 N 0.86 0.12 -0.23 0.00 0.00 -0.89 -3.23 103.07 99.71 1n88 h GLY 20 Ca 0.00 -0.31 0.30 0.00 0.00 0.00 0.00 47.33 47.32 1n88 h GLY 20 CO 0.00 0.27 0.83 0.74 0.00 0.00 0.00 176.54 178.38 1n88 h PHE 21 N -0.69 0.00 -1.07 5.60 -1.00 0.27 0.29 116.94 120.34 1n88 h PHE 21 Ca -0.26 0.00 0.41 0.00 2.81 0.00 0.00 57.97 60.93 1n88 h PHE 21 Cb 1.45 0.00 -0.15 0.00 3.61 0.00 0.00 35.95 40.86 1n88 h PHE 21 CO 0.15 0.00 0.64 0.00 -1.61 0.00 0.00 178.31 177.48 1n88 n ALA 22 N -2.61 1.08 0.27 2.45 0.00 -1.03 0.25 120.51 120.93 1n88 n ALA 22 Ca 0.22 0.88 0.11 0.00 0.00 0.00 0.00 53.44 54.65 1n88 n ALA 22 Cb 1.17 -0.95 -0.01 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 -4.84 0.49 0.00 0.00 4.07 0.09 -4.94 120.64 115.51 1n88 n GLU 23 Ca 0.36 0.02 0.00 0.00 -0.06 0.00 0.00 57.16 57.48 1n88 n GLU 23 Cb 1.30 -1.68 0.00 0.00 -0.06 0.00 0.00 31.44 31.00 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 1.27 1.18 3.74 8.31 0.00 0.70 -4.79 105.19 115.59 1n88 n GLY 24 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.10 4.65 -0.22 1.61 -0.14 -1.25 -2.61 119.74 121.69 1n88 s LYS 25 Ca 0.00 1.32 0.00 0.00 -1.36 0.00 0.00 55.97 55.93 1n88 s LYS 25 Cb 0.00 -3.35 0.06 0.00 -1.68 0.00 0.00 37.83 32.85 1n88 s LYS 25 CO 0.00 0.30 -0.05 0.71 -0.76 0.00 0.00 175.35 175.56 1n88 s TYR 26 N -0.26 2.13 0.26 3.18 2.02 0.74 -3.33 117.35 122.09 1n88 s TYR 26 Ca 0.43 -1.53 -0.30 0.00 -0.37 0.00 0.00 57.07 55.30 1n88 s TYR 26 Cb -0.23 -1.48 -0.09 0.00 -0.40 0.00 0.00 41.96 39.76 1n88 s TYR 26 CO 0.28 -0.73 1.00 0.99 -1.57 0.00 0.00 175.55 175.52 1n88 s THR 27 N 1.49 3.86 0.14 -0.71 2.01 -1.19 0.13 115.64 121.37 1n88 s THR 27 Ca -0.04 1.88 0.00 0.00 0.31 0.00 0.00 61.69 63.84 1n88 s THR 27 Cb -0.18 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 1n88 s THR 27 CO -0.07 0.45 0.02 -0.36 -0.69 0.00 0.00 174.62 173.97 1n88 s PHE 28 N -1.18 1.00 -0.26 4.92 0.08 0.80 -2.86 117.98 120.48 1n88 s PHE 28 Ca 0.42 -1.11 -0.11 0.00 0.12 0.00 0.00 56.93 56.25 1n88 s PHE 28 Cb -0.28 -0.57 -0.05 0.00 -0.57 0.00 0.00 43.02 41.55 1n88 s PHE 28 CO 0.35 -0.36 0.20 -1.58 -0.10 0.00 0.00 175.22 173.74 1n88 s TRP 29 N -3.85 3.27 0.05 0.36 0.52 -0.80 0.50 118.94 119.00 1n88 s TRP 29 Ca 0.22 0.22 -0.06 0.00 0.02 0.00 0.00 56.10 56.51 1n88 s TRP 29 Cb 0.07 -2.35 -0.01 0.00 -1.15 0.00 0.00 33.47 30.02 1n88 s TRP 29 CO 0.02 -0.05 0.10 0.54 0.02 0.00 0.00 176.95 177.57 1n88 s VAL 30 N 1.44 0.15 0.67 4.03 0.11 0.81 -0.41 120.40 127.20 1n88 s VAL 30 Ca 0.09 -1.21 -0.17 0.00 -2.93 0.00 0.00 61.98 57.76 1n88 s VAL 30 Cb -0.15 -1.08 0.00 0.00 -1.53 0.00 0.00 36.38 33.62 1n88 s VAL 30 CO 0.08 -0.67 1.24 -2.28 -3.33 0.00 0.00 175.10 170.14 1n88 s HIS 31 N -3.07 2.14 -1.01 1.54 2.46 -0.91 -2.33 115.29 114.11 1n88 s HIS 31 Ca -0.01 1.54 -0.20 0.00 0.47 0.00 0.00 55.06 56.86 1n88 s HIS 31 Cb 0.02 -3.55 -0.09 0.00 -0.13 0.00 0.00 32.58 28.82 1n88 s HIS 31 CO -0.07 -2.63 2.00 -0.35 -2.47 0.00 0.00 174.74 171.23 1n88 n PRO 32 N -2.17 1.94 0.00 2.88 -0.04 -1.26 -2.98 135.00 133.37 1n88 n PRO 32 Ca 0.14 -2.15 0.00 0.00 -0.04 0.00 0.00 63.50 61.45 1n88 n PRO 32 Cb 0.49 -3.10 0.00 0.00 -0.04 0.00 0.00 33.50 30.85 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 6.90 0.00 -1.51 0.54 -0.00 -1.26 -5.07 118.16 117.76 1n88 n LYS 33 Ca 0.50 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.56 1n88 n LYS 33 Cb 0.41 0.00 -0.18 0.00 -0.00 0.00 0.00 35.03 35.26 1n88 n LYS 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1n88 n ALA 34 N 0.00 0.82 -1.39 0.58 0.00 -1.16 -4.78 120.51 114.59 1n88 n ALA 34 Ca 0.00 -0.81 -0.44 0.00 0.00 0.00 0.00 53.44 52.19 1n88 n ALA 34 Cb 0.00 -2.56 -0.01 0.00 0.00 0.00 0.00 19.45 16.88 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 6.56 1.45 -0.31 0.00 -2.24 -1.26 -4.38 114.28 114.10 1n88 n THR 35 Ca 0.63 -0.50 -0.01 0.00 -2.27 0.00 0.00 64.05 61.90 1n88 n THR 35 Cb 0.19 -0.24 0.05 0.00 -2.10 0.00 0.00 70.33 68.23 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 0.77 -0.05 -0.56 -0.78 1.79 -1.95 0.97 116.57 116.76 1n88 h LYS 36 Ca -0.36 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.09 1n88 h LYS 36 Cb 1.42 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 32.06 1n88 h LYS 36 CO 0.52 -0.03 0.23 1.15 -1.08 0.00 0.00 179.45 180.24 1n88 h THR 37 N -0.05 1.20 -0.66 -0.16 2.02 -1.95 -2.34 112.91 110.97 1n88 h THR 37 Ca 0.33 -0.62 0.06 0.00 0.77 0.00 0.00 66.41 66.96 1n88 h THR 37 Cb 0.60 0.53 -0.06 0.00 -1.74 0.00 0.00 68.15 67.48 1n88 h THR 37 CO -0.87 0.25 0.36 -0.33 0.37 0.00 0.00 175.52 175.30 1n88 h GLU 38 N 0.80 0.64 -0.44 6.66 4.39 0.64 0.11 114.58 127.38 1n88 h GLU 38 Ca 0.19 -0.04 0.07 0.00 0.34 0.00 0.00 59.36 59.92 1n88 h GLU 38 Cb 0.15 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1n88 h GLU 38 CO -0.02 0.42 0.30 0.82 -1.16 0.00 0.00 179.01 179.37 1n88 h ILE 39 N 0.66 0.94 -0.44 3.13 2.04 -0.61 -0.69 117.51 122.54 1n88 h ILE 39 Ca 0.30 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 66.07 1n88 h ILE 39 Cb 0.21 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1n88 h ILE 39 CO -0.19 0.06 0.27 0.50 0.00 0.00 0.00 178.15 178.79 1n88 h LYS 40 N 0.31 0.54 -0.10 2.37 3.64 -0.69 -2.55 116.57 120.08 1n88 h LYS 40 Ca 0.19 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.39 1n88 h LYS 40 Cb 0.37 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1n88 h LYS 40 CO -0.04 0.35 -0.60 -0.91 -2.27 0.00 0.00 179.45 175.98 1n88 h ASN 41 N 0.55 0.39 -0.11 4.20 2.35 -0.97 -2.07 115.58 119.93 1n88 h ASN 41 Ca 0.17 -0.22 0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1n88 h ASN 41 Cb -0.01 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1n88 h ASN 41 CO -0.07 0.90 -0.04 0.00 -1.65 0.00 0.00 177.43 176.57 1n88 h ALA 42 N 1.10 0.06 0.01 -0.83 0.00 -0.85 -1.46 119.26 117.29 1n88 h ALA 42 Ca -0.00 0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 1n88 h ALA 42 Cb 1.12 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1n88 h ALA 42 CO 0.10 -0.50 -0.92 -0.39 0.00 0.00 0.00 179.25 177.54 1n88 h VAL 43 N -0.02 1.46 0.00 0.00 -1.51 -1.56 -3.09 116.25 111.54 1n88 h VAL 43 Ca 0.06 -2.58 -0.01 0.00 -1.23 0.00 0.00 66.70 62.94 1n88 h VAL 43 Cb 0.10 2.47 -0.00 0.00 -2.13 0.00 0.00 31.29 31.74 1n88 h VAL 43 CO -0.12 0.76 -0.05 -0.33 -1.23 0.00 0.00 177.57 176.60 1n88 h GLU 44 N 0.15 0.00 0.06 5.19 4.39 -1.09 1.21 114.58 124.49 1n88 h GLU 44 Ca -0.06 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.53 1n88 h GLU 44 Cb 1.56 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.22 1n88 h GLU 44 CO 0.15 0.05 -0.47 1.79 -1.16 0.00 0.00 179.01 179.37 1n88 h THR 45 N 0.00 1.58 0.00 1.13 1.35 -1.25 -2.43 112.91 113.29 1n88 h THR 45 Ca -0.00 -2.30 -0.09 0.00 -0.55 0.00 0.00 66.41 63.47 1n88 h THR 45 Cb 0.08 3.08 -0.01 0.00 -1.73 0.00 0.00 68.15 69.57 1n88 h THR 45 CO 0.01 0.64 -0.67 0.00 -0.25 0.00 0.00 175.52 175.25 1n88 h ALA 46 N 0.13 0.10 0.00 6.62 0.00 -1.41 -3.35 119.26 121.35 1n88 h ALA 46 Ca -0.08 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1n88 h ALA 46 Cb 1.31 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1n88 h ALA 46 CO 0.09 0.46 0.00 1.19 0.00 0.00 0.00 179.25 180.99 1n88 n PHE 47 N -4.57 0.84 -4.28 0.00 3.72 0.41 -4.87 117.46 108.71 1n88 n PHE 47 Ca -0.16 0.32 -0.33 0.00 -0.05 0.00 0.00 57.45 57.23 1n88 n PHE 47 Cb 0.41 -1.01 -0.07 0.00 -0.94 0.00 0.00 39.48 37.87 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 -2.25 -1.64 -0.73 -1.08 5.02 -0.66 -4.92 118.16 111.91 1n88 n LYS 48 Ca 0.03 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1n88 n LYS 48 Cb 0.26 -4.16 0.00 0.00 -0.02 0.00 0.00 35.03 31.11 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 -4.43 0.00 -4.01 -0.18 3.14 -1.26 -5.03 118.33 106.56 1n88 n VAL 49 Ca -0.20 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 60.85 1n88 n VAL 49 Cb 0.63 -0.16 -0.15 0.00 -1.06 0.00 0.00 33.84 33.11 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 0.01 2.33 -0.22 1.45 2.36 -1.26 -4.74 119.74 119.67 1n88 s LYS 50 Ca 0.00 -1.30 -0.29 0.00 -2.55 0.00 0.00 55.97 51.83 1n88 s LYS 50 Cb 0.00 -2.99 0.00 0.00 -1.05 0.00 0.00 37.83 33.80 1n88 s LYS 50 CO 0.00 -0.58 1.11 0.08 1.55 0.00 0.00 175.35 177.51 1n88 s VAL 51 N 1.16 4.55 -1.15 4.02 1.01 -1.26 -3.27 120.40 125.47 1n88 s VAL 51 Ca -0.07 1.87 0.12 0.00 0.00 0.00 0.00 61.98 63.89 1n88 s VAL 51 Cb -0.20 -4.23 0.26 0.00 0.00 0.00 0.00 36.38 32.21 1n88 s VAL 51 CO -0.04 -0.19 1.16 0.55 0.00 0.00 0.00 175.10 176.58 1n88 n VAL 52 N 5.38 0.70 0.00 2.92 3.14 0.43 -4.88 118.33 126.02 1n88 n VAL 52 Ca 0.13 -0.85 0.00 0.00 -2.96 0.00 0.00 64.34 60.65 1n88 n VAL 52 Cb 0.46 0.72 0.00 0.00 -1.06 0.00 0.00 33.84 33.96 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 0.62 0.00 -4.18 1.45 5.02 -1.11 -4.89 118.16 115.06 1n88 n LYS 53 Ca 0.11 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.08 1n88 n LYS 53 Cb 0.40 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 35.25 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 1.94 -0.20 -0.18 1.01 -1.25 0.15 120.40 121.86 1n88 s VAL 54 Ca 0.00 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1n88 s VAL 54 Cb 0.00 -1.76 0.04 0.00 0.00 0.00 0.00 36.38 34.66 1n88 s VAL 54 CO 0.00 0.52 -0.14 0.20 0.00 0.00 0.00 175.10 175.68 1n88 s ASN 55 N 1.26 3.50 0.13 3.32 0.01 0.55 -4.87 114.94 118.84 1n88 s ASN 55 Ca 0.03 -0.89 0.09 0.00 -0.71 0.00 0.00 52.86 51.38 1n88 s ASN 55 Cb -0.13 -1.40 -0.04 0.00 0.41 0.00 0.00 41.25 40.09 1n88 s ASN 55 CO -0.11 -0.09 -0.18 0.28 -1.51 0.00 0.00 177.10 175.49 1n88 s THR 56 N 1.29 2.84 0.04 1.60 -1.32 -1.25 0.28 115.64 119.11 1n88 s THR 56 Ca -0.00 -1.55 -0.02 0.00 -1.21 0.00 0.00 61.69 58.90 1n88 s THR 56 Cb -0.16 -2.32 -0.02 0.00 -1.51 0.00 0.00 72.50 68.50 1n88 s THR 56 CO -0.09 0.07 0.02 -1.48 -2.21 0.00 0.00 174.62 170.93 1n88 s LEU 57 N -2.23 2.14 0.21 9.08 0.05 0.26 -4.88 118.68 123.30 1n88 s LEU 57 Ca 0.19 -0.66 -0.30 0.00 0.05 0.00 0.00 54.13 53.40 1n88 s LEU 57 Cb -0.10 0.33 -0.09 0.00 -2.05 0.00 0.00 46.19 44.27 1n88 s LEU 57 CO 0.10 -0.47 1.39 -1.00 -0.55 0.00 0.00 176.35 175.82 1n88 s HIS 58 N -2.64 3.14 -0.07 3.48 3.76 -1.26 0.25 115.29 121.95 1n88 s HIS 58 Ca -0.05 1.08 0.05 0.00 -0.15 0.00 0.00 55.06 56.00 1n88 s HIS 58 Cb -0.01 -3.72 -0.01 0.00 1.11 0.00 0.00 32.58 29.95 1n88 s HIS 58 CO -0.05 -2.35 -0.25 0.14 -0.85 0.00 0.00 174.74 171.39 1n88 s VAL 59 N 0.20 2.06 0.15 -0.90 -7.23 0.73 -4.75 120.40 110.66 1n88 s VAL 59 Ca 0.59 -1.05 0.10 0.00 -1.81 0.00 0.00 61.98 59.82 1n88 s VAL 59 Cb -0.39 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 1n88 s VAL 59 CO 0.39 0.57 -0.22 -0.13 -0.31 0.00 0.00 175.10 175.40 1n88 s ARG 60 N 0.03 1.60 0.84 4.82 1.81 -1.26 -2.81 118.95 123.98 1n88 s ARG 60 Ca -0.10 -1.36 -0.16 0.00 -1.72 0.00 0.00 55.73 52.40 1n88 s ARG 60 Cb -0.15 -1.96 -0.07 0.00 -0.45 0.00 0.00 34.95 32.31 1n88 s ARG 60 CO 0.06 0.44 -0.02 0.41 -0.68 0.00 0.00 175.30 175.50 1n88 n GLY 61 N 0.57 -2.90 0.00 -3.53 0.00 -1.26 -4.77 105.19 93.30 1n88 n GLY 61 Ca -0.15 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 0.38 0.00 0.00 1.61 4.81 -1.26 -1.46 118.16 122.24 1n88 n LYS 62 Ca 0.05 0.40 0.09 0.00 -0.87 0.00 0.00 58.31 57.98 1n88 n LYS 62 Cb 0.52 -1.03 0.53 0.00 0.02 0.00 0.00 35.03 35.08 1n88 n LYS 62 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1n88 n LYS 63 N -0.98 0.93 -2.94 1.64 4.01 -1.26 -4.85 118.16 114.71 1n88 n LYS 63 Ca 0.00 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.68 1n88 n LYS 63 Cb 0.00 -1.30 -0.02 0.00 -0.51 0.00 0.00 35.03 33.20 1n88 n LYS 63 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1n88 n LYS 64 N -0.80 -2.23 0.00 1.97 2.85 -0.54 -4.19 118.16 115.22 1n88 n LYS 64 Ca 0.13 0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.43 1n88 n LYS 64 Cb 0.06 -4.24 0.00 0.00 -0.65 0.00 0.00 35.03 30.20 1n88 n LYS 64 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1n88 n ARG 65 N -2.76 0.00 -2.53 -1.58 1.74 -1.26 0.03 116.66 110.30 1n88 n ARG 65 Ca 0.03 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.09 1n88 n ARG 65 Cb 0.45 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.87 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 -2.43 -5.19 0.00 0.55 7.99 -1.26 -3.70 117.00 112.96 1n88 n LEU 66 Ca 0.00 2.08 0.00 0.00 -0.01 0.00 0.00 56.01 58.08 1n88 n LEU 66 Cb 0.00 -2.73 0.00 0.00 -0.11 0.00 0.00 43.42 40.58 1n88 n LEU 66 CO 0.00 -3.17 0.00 0.61 -1.51 0.00 0.00 177.39 173.32 1n88 n GLY 67 N 1.95 -0.17 0.93 -0.72 0.00 -1.26 -4.04 105.19 101.89 1n88 n GLY 67 Ca -0.17 -0.28 -0.06 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.44 -0.90 -1.45 1.61 1.74 -1.26 -4.43 116.66 111.53 1n88 n ARG 68 Ca 0.00 -0.27 -0.45 0.00 -0.77 0.00 0.00 57.85 56.36 1n88 n ARG 68 Cb 0.00 -0.48 -0.13 0.00 -1.02 0.00 0.00 32.46 30.84 1n88 n ARG 68 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1n88 n TYR 69 N -3.24 0.82 -2.69 -1.55 4.19 -1.26 -4.64 117.16 108.79 1n88 n TYR 69 Ca 0.03 0.44 -0.02 0.00 3.31 0.00 0.00 57.90 61.65 1n88 n TYR 69 Cb 0.11 -2.39 0.12 0.00 0.49 0.00 0.00 39.34 37.67 1n88 n TYR 69 CO 0.00 0.00 0.00 -0.11 0.91 0.00 0.00 176.86 177.66 1n88 n LEU 70 N 10.26 -1.07 0.00 2.98 7.94 -1.24 -5.00 117.00 130.85 1n88 n LEU 70 Ca 0.60 -3.20 0.00 0.00 -1.11 0.00 0.00 56.01 52.29 1n88 n LEU 70 Cb 0.07 0.14 0.00 0.00 0.53 0.00 0.00 43.42 44.16 1n88 n LEU 70 CO 0.90 1.64 0.00 0.61 -1.11 0.00 0.00 177.39 179.42 1n88 n GLY 71 N -1.40 1.03 1.22 -3.96 0.00 -1.26 -4.79 105.19 96.03 1n88 n GLY 71 Ca -0.14 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1n88 n GLY 71 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1n88 n LYS 72 N 0.00 -3.45 -1.42 1.61 0.00 -1.25 -4.51 118.16 109.14 1n88 n LYS 72 Ca 0.00 2.59 -0.47 0.00 0.00 0.00 0.00 58.31 60.43 1n88 n LYS 72 Cb 0.00 -2.98 -0.12 0.00 0.00 0.00 0.00 35.03 31.93 1n88 n LYS 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1n88 n ARG 73 N -1.21 0.18 0.00 1.64 0.00 0.10 -4.71 116.66 112.66 1n88 n ARG 73 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 1n88 n ARG 73 Cb 0.07 -1.74 0.00 0.00 0.00 0.00 0.00 32.46 30.79 1n88 n ARG 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1n88 n PRO 74 N 8.21 0.17 -3.80 -0.14 -0.04 -1.26 -5.01 135.00 133.13 1n88 n PRO 74 Ca 0.58 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.70 1n88 n PRO 74 Cb 0.07 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.42 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 -1.14 4.93 0.06 3.54 2.15 -1.26 -4.84 116.67 120.11 1n88 s ASP 75 Ca 0.00 -3.00 0.09 0.00 0.43 0.00 0.00 52.55 50.07 1n88 s ASP 75 Cb 0.00 -1.77 -0.03 0.00 -0.30 0.00 0.00 42.92 40.81 1n88 s ASP 75 CO 0.00 -0.30 -0.23 -0.60 -0.17 0.00 0.00 175.17 173.87 1n88 s ARG 76 N -0.27 1.84 -0.00 4.34 3.00 -1.13 -4.60 118.95 122.13 1n88 s ARG 76 Ca 0.18 -1.10 0.07 0.00 -1.00 0.00 0.00 55.73 53.87 1n88 s ARG 76 Cb -0.21 -2.05 -0.02 0.00 0.00 0.00 0.00 34.95 32.67 1n88 s ARG 76 CO -0.03 0.51 -0.21 0.21 0.00 0.00 0.00 175.30 175.78 1n88 s LYS 77 N -1.49 1.68 0.10 5.12 2.20 -0.98 0.26 119.74 126.62 1n88 s LYS 77 Ca 0.14 -0.80 0.05 0.00 -0.36 0.00 0.00 55.97 54.99 1n88 s LYS 77 Cb -0.10 -1.66 -0.04 0.00 -1.51 0.00 0.00 37.83 34.52 1n88 s LYS 77 CO 0.04 0.45 0.03 0.21 -0.36 0.00 0.00 175.35 175.72 1n88 s LYS 78 N -0.63 2.63 -0.08 4.03 2.20 0.71 -0.13 119.74 128.46 1n88 s LYS 78 Ca 0.08 -0.82 -0.01 0.00 -0.36 0.00 0.00 55.97 54.86 1n88 s LYS 78 Cb -0.08 -2.58 0.03 0.00 -1.51 0.00 0.00 37.83 33.68 1n88 s LYS 78 CO -0.00 0.54 -0.03 0.00 -0.36 0.00 0.00 175.35 175.49 1n88 s ALA 79 N -1.38 0.92 -0.37 3.13 0.00 0.18 0.89 121.76 125.13 1n88 s ALA 79 Ca 0.27 -0.26 -0.13 0.00 0.00 0.00 0.00 51.96 51.84 1n88 s ALA 79 Cb -0.12 -0.74 0.01 0.00 0.00 0.00 0.00 23.12 22.27 1n88 s ALA 79 CO 0.19 -0.36 0.25 0.42 0.00 0.00 0.00 175.76 176.26 1n88 s ILE 80 N 1.68 5.02 -0.15 0.00 1.09 0.79 0.28 121.20 129.91 1n88 s ILE 80 Ca 0.02 -0.58 -0.04 0.00 -1.10 0.00 0.00 60.65 58.95 1n88 s ILE 80 Cb -0.13 -3.72 -0.03 0.00 -1.06 0.00 0.00 42.46 37.52 1n88 s ILE 80 CO -0.05 -0.18 -0.01 -0.69 -0.10 0.00 0.00 174.94 173.91 1n88 s VAL 81 N 1.65 4.17 0.04 2.92 1.01 0.34 0.21 120.40 130.74 1n88 s VAL 81 Ca 0.04 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 61.81 1n88 s VAL 81 Cb -0.18 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1n88 s VAL 81 CO 0.09 0.50 -0.07 -1.58 0.00 0.00 0.00 175.10 174.04 1n88 s GLN 82 N 0.20 2.42 0.21 2.72 2.00 0.39 0.26 119.66 127.86 1n88 s GLN 82 Ca -0.00 -0.83 0.09 0.00 -2.00 0.00 0.00 55.36 52.62 1n88 s GLN 82 Cb -0.13 -2.44 -0.04 0.00 0.80 0.00 0.00 33.01 31.19 1n88 s GLN 82 CO 0.02 0.56 -0.08 0.14 -0.50 0.00 0.00 175.29 175.43 1n88 s VAL 83 N -1.10 3.19 1.34 1.34 -7.23 -1.07 0.16 120.40 117.04 1n88 s VAL 83 Ca 0.19 -1.77 -0.21 0.00 -1.81 0.00 0.00 61.98 58.38 1n88 s VAL 83 Cb -0.11 -2.62 0.33 0.00 0.56 0.00 0.00 36.38 34.54 1n88 s VAL 83 CO 0.11 -0.19 0.75 0.00 -0.31 0.00 0.00 175.10 175.46 1n88 n ALA 84 N -0.22 -3.92 -1.77 1.32 0.00 -1.20 -4.76 120.51 109.95 1n88 n ALA 84 Ca -0.09 -1.68 -0.37 0.00 0.00 0.00 0.00 53.44 51.29 1n88 n ALA 84 Cb 0.57 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 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 -4.62 4.08 0.00 0.00 0.04 -1.26 -3.03 135.00 130.21 1n88 s PRO 85 Ca 0.60 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.31 1n88 s PRO 85 Cb -0.12 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 31.83 1n88 s PRO 85 CO 0.51 -0.25 0.00 0.41 0.04 0.00 0.00 177.00 177.71 1n88 n GLY 86 N 0.50 2.97 3.99 0.56 0.00 -1.26 -5.02 105.19 106.92 1n88 n GLY 86 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.49 2.45 0.00 1.61 -0.21 -1.17 -5.10 119.66 116.75 1n88 s GLN 87 Ca 0.00 -0.96 0.00 0.00 0.02 0.00 0.00 55.36 54.42 1n88 s GLN 87 Cb 0.00 -2.52 0.00 0.00 1.00 0.00 0.00 33.01 31.49 1n88 s GLN 87 CO 0.00 -0.75 0.00 0.36 -2.12 0.00 0.00 175.29 172.78 1n88 n LYS 88 N -2.32 0.00 -1.81 2.91 2.85 -1.26 -4.94 118.16 113.58 1n88 n LYS 88 Ca 0.09 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.93 1n88 n LYS 88 Cb 0.60 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.95 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 3.25 -0.64 0.58 1.01 -1.26 -4.84 121.20 119.29 1n88 s ILE 89 Ca 0.00 0.30 0.25 0.00 0.00 0.00 0.00 60.65 61.20 1n88 s ILE 89 Cb 0.00 -3.21 0.27 0.00 0.01 0.00 0.00 42.46 39.54 1n88 s ILE 89 CO 0.00 -0.05 1.76 -1.84 0.00 0.00 0.00 174.94 174.81 1n88 n GLU 90 N 7.54 0.24 -0.13 2.79 -0.00 -1.26 -3.13 120.64 126.69 1n88 n GLU 90 Ca 0.20 0.29 0.11 0.00 -0.00 0.00 0.00 57.16 57.75 1n88 n GLU 90 Cb 0.42 -1.83 0.45 0.00 -0.00 0.00 0.00 31.44 30.49 1n88 n GLU 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1n88 h ALA 91 N 2.44 1.93 0.00 -1.84 0.00 -1.97 -2.30 119.26 117.52 1n88 h ALA 91 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1n88 h ALA 91 Cb 0.61 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1n88 h ALA 91 CO 0.00 -0.08 -1.78 1.28 0.00 0.00 0.00 179.25 178.67 1n88 n LEU 92 N -4.48 0.00 -0.15 0.00 4.77 -1.23 -3.98 117.00 111.93 1n88 n LEU 92 Ca 0.11 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.99 1n88 n LEU 92 Cb 0.36 0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.57 1n88 n LEU 92 CO 0.33 0.12 0.82 -0.33 -1.33 0.00 0.00 177.39 177.00 1n88 h GLU 93 N 0.00 0.75 -0.42 3.23 4.39 -1.45 -2.60 114.58 118.49 1n88 h GLU 93 Ca -0.13 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1n88 h GLU 93 Cb 1.10 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1n88 h GLU 93 CO 0.01 0.80 0.00 0.41 -1.16 0.00 0.00 179.01 179.06 1n88 n GLY 94 N -0.44 1.15 1.31 -3.84 0.00 -0.89 -4.14 105.19 98.35 1n88 n GLY 94 Ca 0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 46.02 45.45 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 0.89 3.81 -0.37 0.99 7.94 -0.98 -5.08 117.00 124.19 1n88 n LEU 95 Ca 0.17 -1.96 0.05 0.00 -1.11 0.00 0.00 56.01 53.15 1n88 n LEU 95 Cb 0.42 -0.61 0.04 0.00 0.53 0.00 0.00 43.42 43.80 1n88 n LEU 95 CO 0.12 0.57 0.40 -0.38 -1.11 0.00 0.00 177.39 176.99