#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n88 n LYS 2 N 0.00 0.19 0.00 3.17 4.76 -1.26 -4.14 118.16 120.88 1n88 n LYS 2 Ca 0.00 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 1n88 n LYS 2 Cb 0.00 -1.83 0.00 0.00 -1.84 0.00 0.00 35.03 31.36 1n88 n LYS 2 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1n88 n THR 3 N 7.36 0.00 -1.47 -0.18 -1.04 -1.26 0.49 114.28 118.18 1n88 n THR 3 Ca 0.61 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.50 1n88 n THR 3 Cb 0.14 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.56 1n88 n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n88 n ALA 4 N 0.00 0.30 -2.60 2.41 0.00 -1.26 -3.88 120.51 115.48 1n88 n ALA 4 Ca 0.00 -1.82 -0.05 0.00 0.00 0.00 0.00 53.44 51.57 1n88 n ALA 4 Cb 0.00 -2.78 -0.01 0.00 0.00 0.00 0.00 19.45 16.65 1n88 n ALA 4 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1n88 n TYR 5 N 16.47 -0.17 -3.05 0.00 4.11 -1.12 0.24 117.16 133.64 1n88 n TYR 5 Ca 0.36 0.09 -0.13 0.00 -0.00 0.00 0.00 57.90 58.22 1n88 n TYR 5 Cb 0.45 -0.37 0.07 0.00 -0.00 0.00 0.00 39.34 39.49 1n88 n TYR 5 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 1n88 n ASP 6 N -0.06 -3.37 0.00 9.48 2.03 0.18 -4.80 116.55 120.01 1n88 n ASP 6 Ca -0.03 -0.52 0.00 0.00 0.52 0.00 0.00 54.79 54.76 1n88 n ASP 6 Cb 0.09 -4.21 0.00 0.00 -0.72 0.00 0.00 41.12 36.28 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 -3.27 0.00 -1.52 5.18 0.31 0.68 -4.66 118.33 115.05 1n88 n VAL 7 Ca -0.17 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.79 1n88 n VAL 7 Cb 0.62 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.46 1n88 n VAL 7 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1n88 n ILE 8 N 0.00 -0.04 0.00 2.52 5.41 -1.26 -4.31 119.36 121.67 1n88 n ILE 8 Ca 0.00 -0.40 0.00 0.00 1.00 0.00 0.00 62.75 63.35 1n88 n ILE 8 Cb 0.00 -1.60 0.00 0.00 -0.71 0.00 0.00 39.64 37.33 1n88 n ILE 8 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1n88 n LEU 9 N 13.13 0.00 -4.79 1.39 4.32 0.56 -4.49 117.00 127.12 1n88 n LEU 9 Ca 0.52 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 56.29 1n88 n LEU 9 Cb 0.28 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.03 1n88 n LEU 9 CO 0.83 0.00 -0.16 0.00 -1.22 0.00 0.00 177.39 176.83 1n88 s ALA 10 N -2.11 3.60 0.14 -1.18 0.00 -1.26 -4.87 121.76 116.09 1n88 s ALA 10 Ca 0.00 -1.62 -0.30 0.00 0.00 0.00 0.00 51.96 50.04 1n88 s ALA 10 Cb 0.00 -1.07 -0.07 0.00 0.00 0.00 0.00 23.12 21.98 1n88 s ALA 10 CO 0.00 0.12 1.18 -1.25 0.00 0.00 0.00 175.76 175.81 1n88 s PRO 11 N -3.88 4.49 -0.32 0.00 0.04 -1.26 -2.57 135.00 131.51 1n88 s PRO 11 Ca 0.37 1.81 -0.17 0.00 0.04 0.00 0.00 61.00 63.04 1n88 s PRO 11 Cb -0.06 -3.28 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 1n88 s PRO 11 CO 0.24 -0.12 0.48 0.54 0.04 0.00 0.00 177.00 178.19 1n88 s VAL 12 N 0.29 5.06 -0.41 -0.36 0.11 -0.78 -4.95 120.40 119.36 1n88 s VAL 12 Ca 0.54 0.47 -0.14 0.00 -2.93 0.00 0.00 61.98 59.92 1n88 s VAL 12 Cb -0.31 -3.89 0.03 0.00 -1.53 0.00 0.00 36.38 30.68 1n88 s VAL 12 CO 0.34 -0.09 0.30 -0.76 -3.33 0.00 0.00 175.10 171.55 1n88 s LEU 13 N 2.31 5.11 0.20 2.54 2.01 -1.26 -4.69 118.68 124.90 1n88 s LEU 13 Ca 0.18 -0.99 -0.21 0.00 0.01 0.00 0.00 54.13 53.12 1n88 s LEU 13 Cb -0.16 -2.13 0.05 0.00 0.01 0.00 0.00 46.19 43.96 1n88 s LEU 13 CO 0.12 -0.47 0.62 -0.44 1.01 0.00 0.00 176.35 177.19 1n88 s SER 14 N 1.79 -0.41 0.22 2.29 0.01 -1.26 -4.97 113.70 111.37 1n88 s SER 14 Ca 0.04 -0.28 -0.17 0.00 1.31 0.00 0.00 55.95 56.86 1n88 s SER 14 Cb -0.20 0.63 0.24 0.00 0.21 0.00 0.00 66.02 66.90 1n88 s SER 14 CO 0.09 -1.10 1.57 -0.33 0.41 0.00 0.00 173.24 173.88 1n88 h GLU 15 N 2.04 -0.06 -0.97 12.44 5.08 -1.98 0.73 114.58 131.87 1n88 h GLU 15 Ca -0.28 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.14 1n88 h GLU 15 Cb 1.28 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.48 1n88 h GLU 15 CO 0.33 -0.04 0.63 0.87 -1.00 0.00 0.00 179.01 179.81 1n88 h LYS 16 N -0.06 1.11 -0.85 2.33 1.57 -1.98 0.91 116.57 119.61 1n88 h LYS 16 Ca 0.32 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.93 1n88 h LYS 16 Cb 0.59 -0.25 -0.07 0.00 0.08 0.00 0.00 32.23 32.58 1n88 h LYS 16 CO -0.85 0.74 0.14 0.00 -0.57 0.00 0.00 179.45 178.91 1n88 n ALA 17 N -2.38 3.66 0.05 3.86 0.00 0.22 -3.66 120.51 122.27 1n88 n ALA 17 Ca 0.14 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 52.29 1n88 n ALA 17 Cb 0.17 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1n88 n ALA 17 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1n88 n TYR 18 N 0.06 -0.50 0.23 0.00 4.02 0.57 -4.08 117.16 117.46 1n88 n TYR 18 Ca 0.23 0.09 0.07 0.00 -0.01 0.00 0.00 57.90 58.27 1n88 n TYR 18 Cb 0.93 0.16 0.31 0.00 -0.02 0.00 0.00 39.34 40.72 1n88 n TYR 18 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n88 n ALA 19 N -3.18 1.28 -0.10 -0.72 0.00 -0.53 0.11 120.51 117.37 1n88 n ALA 19 Ca 0.00 0.06 -0.15 0.00 0.00 0.00 0.00 53.44 53.35 1n88 n ALA 19 Cb 0.00 -1.20 -0.09 0.00 0.00 0.00 0.00 19.45 18.15 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 -0.84 -0.28 0.13 0.00 0.00 -1.24 -4.42 105.19 98.53 1n88 n GLY 20 Ca 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.04 0.00 -0.49 1.61 3.57 -1.57 -3.10 116.94 116.91 1n88 h PHE 21 Ca -0.46 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.18 1n88 h PHE 21 Cb 1.69 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.41 1n88 h PHE 21 CO 0.02 0.66 0.80 0.00 -2.23 0.00 0.00 178.31 177.56 1n88 h ALA 22 N 1.34 2.27 0.00 2.41 0.00 0.52 1.68 119.26 127.47 1n88 h ALA 22 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n88 h ALA 22 Cb 1.21 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1n88 h ALA 22 CO 0.09 -1.05 -0.72 -1.91 0.00 0.00 0.00 179.25 175.65 1n88 n GLU 23 N -3.19 0.28 0.00 0.00 4.07 -1.17 -4.89 120.64 115.74 1n88 n GLU 23 Ca 0.10 0.06 0.00 0.00 -0.06 0.00 0.00 57.16 57.26 1n88 n GLU 23 Cb 0.97 -1.66 0.00 0.00 -0.06 0.00 0.00 31.44 30.69 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 1.35 -0.10 3.81 8.31 0.00 0.57 -4.88 105.19 114.24 1n88 n GLY 24 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 4.31 -0.26 1.61 -0.14 -1.04 -2.59 119.74 121.63 1n88 s LYS 25 Ca 0.00 1.08 0.00 0.00 -1.36 0.00 0.00 55.97 55.70 1n88 s LYS 25 Cb 0.00 -2.51 0.07 0.00 -1.68 0.00 0.00 37.83 33.71 1n88 s LYS 25 CO 0.00 0.16 0.00 0.71 -0.76 0.00 0.00 175.35 175.46 1n88 s TYR 26 N -1.88 2.28 -0.03 3.18 2.02 0.76 -3.89 117.35 119.79 1n88 s TYR 26 Ca 0.54 -1.81 -0.30 0.00 -0.37 0.00 0.00 57.07 55.13 1n88 s TYR 26 Cb -0.13 -1.72 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 1n88 s TYR 26 CO 0.18 -0.80 1.17 0.99 -1.57 0.00 0.00 175.55 175.53 1n88 s THR 27 N 1.43 4.28 0.16 -0.71 2.01 -1.17 -0.09 115.64 121.55 1n88 s THR 27 Ca 0.00 1.61 0.02 0.00 0.31 0.00 0.00 61.69 63.63 1n88 s THR 27 Cb -0.18 -4.04 -0.05 0.00 0.01 0.00 0.00 72.50 68.25 1n88 s THR 27 CO -0.10 0.04 -0.00 -0.36 -0.69 0.00 0.00 174.62 173.50 1n88 s PHE 28 N 1.84 1.15 -0.25 4.92 0.08 0.80 -1.87 117.98 124.65 1n88 s PHE 28 Ca 0.56 -1.02 -0.10 0.00 0.12 0.00 0.00 56.93 56.49 1n88 s PHE 28 Cb -0.25 -0.66 -0.04 0.00 -0.57 0.00 0.00 43.02 41.50 1n88 s PHE 28 CO 0.24 -0.23 0.14 -1.58 -0.10 0.00 0.00 175.22 173.69 1n88 s TRP 29 N -3.68 3.21 0.18 0.36 0.23 -1.06 0.23 118.94 118.41 1n88 s TRP 29 Ca 0.23 0.01 -0.07 0.00 -2.03 0.00 0.00 56.10 54.23 1n88 s TRP 29 Cb 0.06 -2.29 -0.02 0.00 0.03 0.00 0.00 33.47 31.26 1n88 s TRP 29 CO 0.03 -0.12 0.26 0.54 0.96 0.00 0.00 176.95 178.62 1n88 s VAL 30 N 1.41 0.05 0.96 4.03 0.11 0.17 0.21 120.40 127.33 1n88 s VAL 30 Ca 0.06 -1.53 -0.12 0.00 -2.93 0.00 0.00 61.98 57.46 1n88 s VAL 30 Cb -0.15 -2.00 0.17 0.00 -1.53 0.00 0.00 36.38 32.87 1n88 s VAL 30 CO 0.07 -0.24 1.11 -1.00 -3.33 0.00 0.00 175.10 171.70 1n88 s HIS 31 N -4.01 2.27 -0.08 1.54 3.76 -1.26 -3.25 115.29 114.27 1n88 s HIS 31 Ca 0.21 0.94 -0.21 0.00 -0.15 0.00 0.00 55.06 55.86 1n88 s HIS 31 Cb 0.04 -3.31 -0.17 0.00 1.11 0.00 0.00 32.58 30.25 1n88 s HIS 31 CO 0.03 -2.67 0.76 -1.00 -0.85 0.00 0.00 174.74 171.00 1n88 h PRO 32 N -1.73 -0.11 -0.33 8.40 0.13 -1.92 -3.17 132.00 133.27 1n88 h PRO 32 Ca -0.53 0.01 0.10 0.00 -0.87 0.00 0.00 66.00 64.70 1n88 h PRO 32 Cb 1.33 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1n88 h PRO 32 CO 0.59 0.41 0.75 1.57 -0.23 0.00 0.00 178.00 181.09 1n88 h LYS 33 N -0.89 0.00 -5.94 0.86 2.10 -2.00 -3.38 116.57 107.32 1n88 h LYS 33 Ca -0.01 0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 58.13 1n88 h LYS 33 Cb 0.57 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.89 1n88 h LYS 33 CO 0.02 0.00 1.43 0.00 -2.00 0.00 0.00 179.45 178.90 1n88 s ALA 34 N -4.26 2.20 0.41 0.07 0.00 -1.20 -4.94 121.76 114.04 1n88 s ALA 34 Ca -0.02 -0.18 -0.26 0.00 0.00 0.00 0.00 51.96 51.50 1n88 s ALA 34 Cb 0.09 -4.24 -0.08 0.00 0.00 0.00 0.00 23.12 18.89 1n88 s ALA 34 CO 0.30 -3.72 1.26 0.95 0.00 0.00 0.00 175.76 174.55 1n88 s THR 35 N 9.46 2.78 0.38 0.00 -4.23 -1.26 -4.72 115.64 118.04 1n88 s THR 35 Ca 0.81 0.68 0.22 0.00 -1.18 0.00 0.00 61.69 62.21 1n88 s THR 35 Cb -0.17 -3.39 0.39 0.00 1.34 0.00 0.00 72.50 70.66 1n88 s THR 35 CO 0.26 0.08 1.63 0.11 -0.54 0.00 0.00 174.62 176.16 1n88 h LYS 36 N 2.62 0.14 0.14 3.99 1.57 -1.92 0.20 116.57 123.30 1n88 h LYS 36 Ca -0.49 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.27 1n88 h LYS 36 Cb 1.24 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1n88 h LYS 36 CO 0.62 0.09 -0.07 1.15 -0.57 0.00 0.00 179.45 180.68 1n88 h THR 37 N 0.14 1.03 -0.74 -0.16 2.02 -1.92 -2.94 112.91 110.35 1n88 h THR 37 Ca 0.80 -0.85 0.09 0.00 0.77 0.00 0.00 66.41 67.21 1n88 h THR 37 Cb 2.15 1.54 -0.07 0.00 -1.74 0.00 0.00 68.15 70.03 1n88 h THR 37 CO -0.59 0.20 0.39 -0.33 0.37 0.00 0.00 175.52 175.56 1n88 h GLU 38 N -0.60 0.65 -0.33 6.66 4.39 -1.03 0.15 114.58 124.48 1n88 h GLU 38 Ca -0.02 -0.04 0.09 0.00 0.34 0.00 0.00 59.36 59.73 1n88 h GLU 38 Cb 0.46 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1n88 h GLU 38 CO 0.03 0.43 0.24 0.82 -1.16 0.00 0.00 179.01 179.37 1n88 h ILE 39 N 0.67 0.85 -0.23 3.13 2.04 -1.14 -1.88 117.51 120.95 1n88 h ILE 39 Ca 0.35 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 66.19 1n88 h ILE 39 Cb 0.33 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1n88 h ILE 39 CO -0.25 0.01 0.08 0.50 0.00 0.00 0.00 178.15 178.49 1n88 h LYS 40 N 0.03 0.35 -0.56 2.37 3.64 -0.50 -3.04 116.57 118.86 1n88 h LYS 40 Ca 0.16 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1n88 h LYS 40 Cb 0.59 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 1n88 h LYS 40 CO -0.01 0.42 0.37 -0.91 -2.27 0.00 0.00 179.45 177.06 1n88 h ASN 41 N 0.21 0.55 0.03 4.20 2.35 -1.23 -0.12 115.58 121.57 1n88 h ASN 41 Ca 0.08 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1n88 h ASN 41 Cb 0.21 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1n88 h ASN 41 CO -0.00 0.38 -0.02 0.00 -1.65 0.00 0.00 177.43 176.14 1n88 h ALA 42 N 1.68 -0.04 0.00 -0.83 0.00 -1.50 -2.62 119.26 115.95 1n88 h ALA 42 Ca 0.23 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 1n88 h ALA 42 Cb 0.12 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1n88 h ALA 42 CO -0.06 -0.39 -0.87 -0.39 0.00 0.00 0.00 179.25 177.54 1n88 h VAL 43 N -0.31 1.52 -0.02 0.00 -1.51 -1.54 0.13 116.25 114.52 1n88 h VAL 43 Ca -0.00 -2.67 0.02 0.00 -1.23 0.00 0.00 66.70 62.82 1n88 h VAL 43 Cb 0.29 2.49 -0.03 0.00 -2.13 0.00 0.00 31.29 31.91 1n88 h VAL 43 CO 0.01 0.78 -0.12 -0.33 -1.23 0.00 0.00 177.57 176.68 1n88 h GLU 44 N 0.08 -0.18 0.09 5.19 4.39 -1.01 0.32 114.58 123.46 1n88 h GLU 44 Ca -0.04 0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.55 1n88 h GLU 44 Cb 1.50 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 30.21 1n88 h GLU 44 CO 0.13 -0.12 -0.55 1.79 -1.16 0.00 0.00 179.01 179.10 1n88 h THR 45 N -0.19 1.60 0.51 1.13 1.35 -1.52 -0.25 112.91 115.54 1n88 h THR 45 Ca 0.05 -2.45 -0.02 0.00 -0.55 0.00 0.00 66.41 63.44 1n88 h THR 45 Cb 0.25 3.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.90 1n88 h THR 45 CO -0.13 0.68 -0.27 0.00 -0.25 0.00 0.00 175.52 175.54 1n88 h ALA 46 N 0.07 -1.17 0.00 6.62 0.00 -0.68 -2.91 119.26 121.19 1n88 h ALA 46 Ca -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1n88 h ALA 46 Cb 1.42 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1n88 h ALA 46 CO 0.10 -1.12 0.00 0.74 0.00 0.00 0.00 179.25 178.97 1n88 h PHE 47 N -0.72 0.00 -4.22 0.00 0.04 -0.54 -3.47 116.94 108.04 1n88 h PHE 47 Ca -0.07 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.45 1n88 h PHE 47 Cb 0.56 0.00 0.10 0.00 2.20 0.00 0.00 35.95 38.81 1n88 h PHE 47 CO 0.06 0.00 -0.46 1.63 -0.60 0.00 0.00 178.31 178.94 1n88 n LYS 48 N -3.08 -5.08 -0.92 1.51 5.02 -0.14 -5.01 118.16 110.47 1n88 n LYS 48 Ca 0.01 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 1n88 n LYS 48 Cb 0.35 -4.72 0.00 0.00 -0.02 0.00 0.00 35.03 30.64 1n88 n LYS 48 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1n88 n VAL 49 N -3.94 0.00 -4.03 -0.18 3.14 -0.98 -5.00 118.33 107.33 1n88 n VAL 49 Ca -0.03 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.03 1n88 n VAL 49 Cb 0.55 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 33.19 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 -0.38 2.03 -0.22 1.45 2.36 -1.26 -4.66 119.74 119.06 1n88 s LYS 50 Ca 0.00 -1.51 -0.29 0.00 -2.55 0.00 0.00 55.97 51.62 1n88 s LYS 50 Cb 0.00 -3.03 0.00 0.00 -1.05 0.00 0.00 37.83 33.75 1n88 s LYS 50 CO 0.00 -0.70 1.12 0.08 1.55 0.00 0.00 175.35 177.40 1n88 s VAL 51 N 1.06 4.54 -1.97 4.02 1.01 -1.26 -3.10 120.40 124.68 1n88 s VAL 51 Ca -0.02 1.85 0.19 0.00 0.00 0.00 0.00 61.98 63.99 1n88 s VAL 51 Cb -0.20 -4.22 0.33 0.00 0.00 0.00 0.00 36.38 32.30 1n88 s VAL 51 CO -0.05 -0.19 1.27 0.55 0.00 0.00 0.00 175.10 176.67 1n88 n VAL 52 N 5.39 0.50 0.00 2.92 3.14 0.56 -4.86 118.33 125.97 1n88 n VAL 52 Ca 0.13 -0.75 0.00 0.00 -2.96 0.00 0.00 64.34 60.76 1n88 n VAL 52 Cb 0.46 0.95 0.00 0.00 -1.06 0.00 0.00 33.84 34.19 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 1.15 0.00 -3.91 1.45 5.02 -1.08 -4.91 118.16 115.87 1n88 n LYS 53 Ca 0.15 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.09 1n88 n LYS 53 Cb 0.51 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.38 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 3.33 -0.29 -0.18 1.01 -1.25 0.49 120.40 123.51 1n88 s VAL 54 Ca 0.00 -0.50 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 1n88 s VAL 54 Cb 0.00 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.87 1n88 s VAL 54 CO 0.00 0.43 0.09 0.21 0.00 0.00 0.00 175.10 175.83 1n88 s ASN 55 N 1.47 5.18 -0.04 3.32 3.84 0.81 -4.81 114.94 124.71 1n88 s ASN 55 Ca 0.06 -0.65 0.05 0.00 0.21 0.00 0.00 52.86 52.52 1n88 s ASN 55 Cb -0.14 -1.90 -0.02 0.00 -0.55 0.00 0.00 41.25 38.64 1n88 s ASN 55 CO -0.04 -0.18 -0.19 0.42 -2.79 0.00 0.00 177.10 174.32 1n88 s THR 56 N 1.52 2.62 0.01 -5.21 -4.23 -1.26 0.31 115.64 109.41 1n88 s THR 56 Ca 0.03 -0.88 0.02 0.00 -1.18 0.00 0.00 61.69 59.67 1n88 s THR 56 Cb -0.17 -1.99 -0.01 0.00 1.34 0.00 0.00 72.50 71.67 1n88 s THR 56 CO 0.03 0.58 -0.06 -1.48 -0.54 0.00 0.00 174.62 173.15 1n88 s LEU 57 N -0.58 2.11 -0.30 4.79 2.34 0.44 -4.94 118.68 122.53 1n88 s LEU 57 Ca 0.08 -0.27 -0.29 0.00 0.06 0.00 0.00 54.13 53.71 1n88 s LEU 57 Cb -0.11 -0.20 0.00 0.00 -0.56 0.00 0.00 46.19 45.32 1n88 s LEU 57 CO 0.01 -0.05 1.27 -2.28 -1.06 0.00 0.00 176.35 174.24 1n88 s HIS 58 N -0.63 2.74 -0.22 3.48 5.65 -1.26 -0.40 115.29 124.64 1n88 s HIS 58 Ca -0.03 0.90 -0.05 0.00 0.25 0.00 0.00 55.06 56.13 1n88 s HIS 58 Cb -0.05 -3.89 -0.02 0.00 -1.18 0.00 0.00 32.58 27.44 1n88 s HIS 58 CO 0.00 -1.60 -0.00 0.08 -0.65 0.00 0.00 174.74 172.57 1n88 s VAL 59 N 4.28 3.77 0.23 0.89 1.01 0.75 -4.91 120.40 126.43 1n88 s VAL 59 Ca 0.55 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.19 1n88 s VAL 59 Cb -0.16 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 1n88 s VAL 59 CO 0.22 0.40 0.05 -0.13 0.00 0.00 0.00 175.10 175.64 1n88 s ARG 60 N 1.40 1.33 0.47 2.72 3.00 -1.26 -3.54 118.95 123.07 1n88 s ARG 60 Ca 0.05 -1.69 -0.20 0.00 0.00 0.00 0.00 55.73 53.88 1n88 s ARG 60 Cb -0.15 -0.36 -0.13 0.00 0.00 0.00 0.00 34.95 34.32 1n88 s ARG 60 CO 0.00 -0.21 0.25 0.41 0.00 0.00 0.00 175.30 175.75 1n88 n GLY 61 N -0.41 -2.25 1.06 -3.53 0.00 -1.26 -4.90 105.19 93.90 1n88 n GLY 61 Ca -0.03 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 45.88 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 0.89 0.00 -0.01 1.61 4.81 -1.26 -4.91 118.16 119.29 1n88 n LYS 62 Ca 0.11 -1.13 0.04 0.00 -0.87 0.00 0.00 58.31 56.45 1n88 n LYS 62 Cb 0.43 0.33 -0.08 0.00 0.02 0.00 0.00 35.03 35.73 1n88 n LYS 62 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1n88 n LYS 63 N 0.11 0.52 0.00 1.64 4.81 -1.26 -5.02 118.16 118.95 1n88 n LYS 63 Ca -0.18 -0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.17 1n88 n LYS 63 Cb 0.78 -1.25 0.00 0.00 0.02 0.00 0.00 35.03 34.58 1n88 n LYS 63 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1n88 n LYS 64 N -1.91 0.00 -2.74 1.64 5.02 -1.26 -5.09 118.16 113.82 1n88 n LYS 64 Ca -0.03 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.16 1n88 n LYS 64 Cb 0.32 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.38 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 0.00 1.13 -1.61 1.97 1.85 -1.26 -4.77 116.66 113.96 1n88 n ARG 65 Ca 0.00 -2.86 -0.60 0.00 -1.00 0.00 0.00 57.85 53.39 1n88 n ARG 65 Cb 0.00 -1.00 -0.08 0.00 -1.05 0.00 0.00 32.46 30.33 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 -0.13 0.94 -2.38 2.89 4.32 -1.26 -4.70 117.00 116.69 1n88 n LEU 66 Ca 0.08 1.15 -0.11 0.00 -0.02 0.00 0.00 56.01 57.10 1n88 n LEU 66 Cb 0.80 -0.99 -0.09 0.00 -1.62 0.00 0.00 43.42 41.52 1n88 n LEU 66 CO 0.17 -1.27 1.51 0.61 -1.22 0.00 0.00 177.39 177.19 1n88 n GLY 67 N 2.72 2.52 0.69 -0.72 0.00 -1.26 -3.20 105.19 105.94 1n88 n GLY 67 Ca 0.24 -0.83 -0.01 0.00 0.00 0.00 0.00 46.02 45.41 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 2.95 0.00 -2.70 1.61 1.85 -1.26 -4.95 116.66 114.17 1n88 n ARG 68 Ca 0.33 -0.58 -0.06 0.00 -1.00 0.00 0.00 57.85 56.53 1n88 n ARG 68 Cb 0.51 0.00 0.09 0.00 -1.05 0.00 0.00 32.46 32.01 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 0.04 -1.83 -3.11 2.89 9.36 -1.20 -5.07 117.16 118.25 1n88 n TYR 69 Ca -0.05 -1.54 -0.00 0.00 3.32 0.00 0.00 57.90 59.62 1n88 n TYR 69 Cb 0.64 1.46 -0.00 0.00 -0.63 0.00 0.00 39.34 40.80 1n88 n TYR 69 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1n88 n LEU 70 N 0.02 -4.28 -4.84 2.98 7.99 -1.26 -4.89 117.00 112.72 1n88 n LEU 70 Ca -0.04 0.74 -0.32 0.00 -0.01 0.00 0.00 56.01 56.38 1n88 n LEU 70 Cb 0.74 -1.66 -0.04 0.00 -0.11 0.00 0.00 43.42 42.35 1n88 n LEU 70 CO -0.05 -2.18 0.68 -0.83 -1.51 0.00 0.00 177.39 173.50 1n88 s GLY 71 N -0.56 2.12 -1.12 -0.72 0.00 -1.26 -4.97 107.32 100.81 1n88 s GLY 71 Ca -0.01 0.23 -0.03 0.00 0.00 0.00 0.00 44.72 44.91 1n88 s GLY 71 CO 0.05 0.50 1.89 0.28 0.00 0.00 0.00 173.10 175.82 1n88 n LYS 72 N -1.46 4.99 -3.58 2.90 4.01 -1.26 -4.86 118.16 118.90 1n88 n LYS 72 Ca 0.07 -4.33 -0.36 0.00 -0.51 0.00 0.00 58.31 53.18 1n88 n LYS 72 Cb 0.54 -2.54 -0.06 0.00 -0.51 0.00 0.00 35.03 32.46 1n88 n LYS 72 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1n88 n ARG 73 N 0.81 2.78 0.00 1.97 0.63 -1.26 -4.10 116.66 117.50 1n88 n ARG 73 Ca 0.46 -4.50 0.00 0.00 -0.92 0.00 0.00 57.85 52.89 1n88 n ARG 73 Cb 0.28 -2.41 0.00 0.00 0.45 0.00 0.00 32.46 30.77 1n88 n ARG 73 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1n88 n PRO 74 N 2.16 0.31 -3.77 -0.14 -0.04 -1.26 -4.98 135.00 127.29 1n88 n PRO 74 Ca 0.23 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.34 1n88 n PRO 74 Cb 0.37 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.73 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 -1.19 5.05 -0.24 3.54 -4.77 -1.26 -4.84 116.67 112.96 1n88 s ASP 75 Ca 0.00 -2.97 0.02 0.00 -3.30 0.00 0.00 52.55 46.30 1n88 s ASP 75 Cb 0.00 -1.81 0.05 0.00 -1.09 0.00 0.00 42.92 40.07 1n88 s ASP 75 CO 0.00 -0.32 -0.13 -0.60 0.70 0.00 0.00 175.17 174.82 1n88 s ARG 76 N -0.24 2.42 -0.07 2.11 3.52 -1.23 -4.86 118.95 120.60 1n88 s ARG 76 Ca 0.18 -1.20 0.04 0.00 -0.13 0.00 0.00 55.73 54.62 1n88 s ARG 76 Cb -0.21 -2.79 -0.01 0.00 -1.56 0.00 0.00 34.95 30.38 1n88 s ARG 76 CO -0.03 -0.47 -0.20 0.21 -0.81 0.00 0.00 175.30 173.99 1n88 s LYS 77 N 1.16 2.75 0.07 5.12 2.20 -1.20 0.27 119.74 130.11 1n88 s LYS 77 Ca -0.05 -0.82 0.01 0.00 -0.36 0.00 0.00 55.97 54.75 1n88 s LYS 77 Cb -0.18 -2.31 -0.04 0.00 -1.51 0.00 0.00 37.83 33.79 1n88 s LYS 77 CO -0.07 0.38 0.17 -1.59 -0.36 0.00 0.00 175.35 173.88 1n88 s LYS 78 N -0.14 3.23 -0.08 4.03 -2.85 0.46 -0.66 119.74 123.74 1n88 s LYS 78 Ca -0.03 -0.54 0.04 0.00 -1.00 0.00 0.00 55.97 54.43 1n88 s LYS 78 Cb -0.14 -2.92 -0.01 0.00 -2.06 0.00 0.00 37.83 32.70 1n88 s LYS 78 CO 0.04 0.59 -0.20 0.00 0.10 0.00 0.00 175.35 175.88 1n88 s ALA 79 N -1.48 2.38 -0.32 0.59 0.00 0.64 -0.42 121.76 123.15 1n88 s ALA 79 Ca 0.33 -0.98 -0.05 0.00 0.00 0.00 0.00 51.96 51.25 1n88 s ALA 79 Cb -0.13 -0.89 0.04 0.00 0.00 0.00 0.00 23.12 22.14 1n88 s ALA 79 CO 0.26 0.38 0.07 0.42 0.00 0.00 0.00 175.76 176.89 1n88 s ILE 80 N -0.07 3.59 -0.19 0.00 1.09 0.92 0.28 121.20 126.81 1n88 s ILE 80 Ca -0.05 -1.12 -0.07 0.00 -1.10 0.00 0.00 60.65 58.31 1n88 s ILE 80 Cb -0.14 -3.01 -0.04 0.00 -1.06 0.00 0.00 42.46 38.21 1n88 s ILE 80 CO 0.04 -0.11 0.05 -0.69 -0.10 0.00 0.00 174.94 174.13 1n88 s VAL 81 N 1.38 4.56 0.03 2.92 1.01 0.87 0.28 120.40 131.45 1n88 s VAL 81 Ca -0.02 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 61.89 1n88 s VAL 81 Cb -0.19 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1n88 s VAL 81 CO 0.02 0.44 -0.04 -1.58 0.00 0.00 0.00 175.10 173.93 1n88 s GLN 82 N 0.65 2.56 0.20 2.72 2.00 0.18 0.27 119.66 128.24 1n88 s GLN 82 Ca 0.02 -0.75 0.09 0.00 -2.00 0.00 0.00 55.36 52.72 1n88 s GLN 82 Cb -0.13 -2.53 -0.04 0.00 0.80 0.00 0.00 33.01 31.11 1n88 s GLN 82 CO 0.02 0.59 -0.05 0.14 -0.50 0.00 0.00 175.29 175.48 1n88 s VAL 83 N -1.10 3.38 1.28 1.34 -7.23 -1.07 0.21 120.40 117.21 1n88 s VAL 83 Ca 0.20 -1.68 -0.20 0.00 -1.81 0.00 0.00 61.98 58.50 1n88 s VAL 83 Cb -0.11 -2.71 0.30 0.00 0.56 0.00 0.00 36.38 34.42 1n88 s VAL 83 CO 0.11 -0.18 0.68 0.00 -0.31 0.00 0.00 175.10 175.40 1n88 n ALA 84 N -0.25 -3.23 -1.77 1.32 0.00 -1.18 -4.73 120.51 110.69 1n88 n ALA 84 Ca -0.09 -1.57 -0.40 0.00 0.00 0.00 0.00 53.44 51.38 1n88 n ALA 84 Cb 0.56 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 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 -4.43 4.41 0.00 0.00 0.04 -1.26 -2.96 135.00 130.80 1n88 s PRO 85 Ca 0.54 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1n88 s PRO 85 Cb -0.10 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.45 1n88 s PRO 85 CO 0.46 -0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.90 1n88 n GLY 86 N 0.91 3.22 3.97 0.56 0.00 -1.26 -5.03 105.19 107.56 1n88 n GLY 86 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.58 2.63 0.00 1.61 -0.21 -1.16 -5.11 119.66 116.85 1n88 s GLN 87 Ca 0.00 -0.72 0.00 0.00 0.02 0.00 0.00 55.36 54.66 1n88 s GLN 87 Cb 0.00 -2.49 0.00 0.00 1.00 0.00 0.00 33.01 31.52 1n88 s GLN 87 CO 0.00 -0.64 0.00 0.36 -2.12 0.00 0.00 175.29 172.89 1n88 n LYS 88 N -2.31 0.00 -2.74 2.91 2.85 -1.26 -4.91 118.16 112.69 1n88 n LYS 88 Ca 0.07 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.90 1n88 n LYS 88 Cb 0.59 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.94 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 4.28 -0.38 0.58 1.01 -1.26 -4.87 121.20 120.55 1n88 s ILE 89 Ca 0.00 0.59 0.19 0.00 0.00 0.00 0.00 60.65 61.43 1n88 s ILE 89 Cb 0.00 -4.59 0.19 0.00 0.01 0.00 0.00 42.46 38.07 1n88 s ILE 89 CO 0.00 -1.14 1.57 -1.84 0.00 0.00 0.00 174.94 173.53 1n88 n GLU 90 N 7.74 0.13 -0.14 2.79 0.28 -1.26 -2.58 120.64 127.59 1n88 n GLU 90 Ca 0.05 0.57 0.14 0.00 -0.16 0.00 0.00 57.16 57.76 1n88 n GLU 90 Cb 0.48 -1.87 0.50 0.00 1.43 0.00 0.00 31.44 31.98 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 2.06 2.07 0.00 -1.84 0.00 -1.98 -1.57 119.26 118.01 1n88 h ALA 91 Ca 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1n88 h ALA 91 Cb 0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1n88 h ALA 91 CO 0.00 -0.25 -1.80 1.28 0.00 0.00 0.00 179.25 178.48 1n88 n LEU 92 N -4.48 0.00 -0.11 0.00 4.77 -1.07 -4.19 117.00 111.92 1n88 n LEU 92 Ca 0.13 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.04 1n88 n LEU 92 Cb 0.47 0.11 0.11 0.00 -2.33 0.00 0.00 43.42 41.79 1n88 n LEU 92 CO 0.33 0.11 0.79 -0.33 -1.33 0.00 0.00 177.39 176.97 1n88 h GLU 93 N 0.00 0.83 -0.00 3.23 4.39 -1.42 -2.07 114.58 119.53 1n88 h GLU 93 Ca -0.13 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1n88 h GLU 93 Cb 1.09 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1n88 h GLU 93 CO 0.01 0.89 -0.05 0.41 -1.16 0.00 0.00 179.01 179.11 1n88 n GLY 94 N -0.43 -1.41 0.09 -3.84 0.00 -0.63 -3.21 105.19 95.76 1n88 n GLY 94 Ca 0.02 -0.14 0.02 0.00 0.00 0.00 0.00 46.02 45.92 1n88 n GLY 94 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n88 n LEU 95 N -1.43 0.26 -0.34 0.99 4.32 -0.78 -5.12 117.00 114.90 1n88 n LEU 95 Ca 0.09 -0.13 0.15 0.00 -0.02 0.00 0.00 56.01 56.10 1n88 n LEU 95 Cb 0.32 -0.03 0.65 0.00 -1.62 0.00 0.00 43.42 42.74 1n88 n LEU 95 CO 0.27 0.06 0.94 -0.38 -1.22 0.00 0.00 177.39 177.06