#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ci5 s SER 2 N 0.00 4.27 -0.08 6.43 1.04 -1.26 -4.24 113.70 119.86 1ci5 s SER 2 Ca 0.00 -0.78 -0.07 0.00 0.48 0.00 0.00 55.95 55.58 1ci5 s SER 2 Cb 0.00 -0.67 0.02 0.00 0.10 0.00 0.00 66.02 65.47 1ci5 s SER 2 CO 0.00 -0.02 0.20 -1.58 0.98 0.00 0.00 173.24 172.82 1ci5 s GLN 3 N -3.64 0.23 -0.21 4.02 0.74 -1.09 -5.00 119.66 114.72 1ci5 s GLN 3 Ca 0.32 0.29 -0.15 0.00 0.05 0.00 0.00 55.36 55.87 1ci5 s GLN 3 Cb -0.05 0.11 -0.04 0.00 1.10 0.00 0.00 33.01 34.12 1ci5 s GLN 3 CO 0.19 -0.03 0.35 -0.65 -0.55 0.00 0.00 175.29 174.59 1ci5 s GLN 4 N 0.15 4.16 0.11 1.67 -0.21 -1.26 1.00 119.66 125.28 1ci5 s GLN 4 Ca -0.00 0.11 0.03 0.00 0.02 0.00 0.00 55.36 55.51 1ci5 s GLN 4 Cb -0.02 -3.53 -0.04 0.00 1.00 0.00 0.00 33.01 30.42 1ci5 s GLN 4 CO -0.00 -0.01 0.18 0.42 -2.12 0.00 0.00 175.29 173.76 1ci5 s ILE 5 N 1.23 4.96 -0.24 1.08 -1.09 0.30 -4.91 121.20 122.53 1ci5 s ILE 5 Ca 0.17 -0.72 -0.07 0.00 -2.23 0.00 0.00 60.65 57.80 1ci5 s ILE 5 Cb -0.14 -3.48 -0.03 0.00 -1.58 0.00 0.00 42.46 37.23 1ci5 s ILE 5 CO 0.07 0.01 0.06 -0.31 -1.23 0.00 0.00 174.94 173.55 1ci5 s TYR 6 N -1.60 3.08 0.40 3.97 1.51 -1.26 -1.31 117.35 122.14 1ci5 s TYR 6 Ca 0.33 -0.42 0.03 0.00 -1.01 0.00 0.00 57.07 56.00 1ci5 s TYR 6 Cb -0.12 -2.22 -0.04 0.00 -0.11 0.00 0.00 41.96 39.48 1ci5 s TYR 6 CO 0.26 -0.34 0.09 0.20 -1.11 0.00 0.00 175.55 174.64 1ci5 s GLY 7 N 1.53 2.51 -0.02 0.71 0.00 0.32 -4.92 107.32 107.45 1ci5 s GLY 7 Ca 0.06 -1.39 -0.03 0.00 0.00 0.00 0.00 44.72 43.36 1ci5 s GLY 7 CO 0.03 -1.89 0.08 -1.34 0.00 0.00 0.00 173.10 169.98 1ci5 s VAL 8 N -3.17 0.02 0.23 1.40 -7.23 -1.26 -0.11 120.40 110.28 1ci5 s VAL 8 Ca 0.25 -0.17 -0.31 0.00 -1.81 0.00 0.00 61.98 59.95 1ci5 s VAL 8 Cb 0.04 -0.17 -0.15 0.00 0.56 0.00 0.00 36.38 36.67 1ci5 s VAL 8 CO 0.13 -0.09 1.16 0.29 -0.31 0.00 0.00 175.10 176.28 1ci5 n LYS 9 N 2.72 1.42 -2.04 4.82 5.02 0.30 -0.29 118.16 130.12 1ci5 n LYS 9 Ca -0.15 0.50 -0.20 0.00 -2.02 0.00 0.00 58.31 56.44 1ci5 n LYS 9 Cb 0.59 -1.99 -0.04 0.00 -0.02 0.00 0.00 35.03 33.56 1ci5 n LYS 9 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1ci5 n TYR 10 N 1.11 -0.54 -4.44 2.13 4.02 0.57 -4.76 117.16 115.24 1ci5 n TYR 10 Ca 0.12 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.82 1ci5 n TYR 10 Cb 0.29 -3.70 -0.04 0.00 -0.02 0.00 0.00 39.34 35.87 1ci5 n TYR 10 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ci5 n GLY 11 N -0.77 3.82 3.44 2.72 0.00 0.61 -4.68 105.19 110.33 1ci5 n GLY 11 Ca -0.23 -2.31 -0.27 0.00 0.00 0.00 0.00 46.02 43.22 1ci5 n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ci5 s ASN 12 N -2.63 3.56 0.01 1.61 2.20 -1.26 -1.28 114.94 117.15 1ci5 s ASN 12 Ca 0.00 -0.80 -0.21 0.00 -0.94 0.00 0.00 52.86 50.91 1ci5 s ASN 12 Cb -0.00 -0.33 0.04 0.00 -2.00 0.00 0.00 41.25 38.96 1ci5 s ASN 12 CO 0.00 0.13 0.47 -0.69 -2.94 0.00 0.00 177.10 174.07 1ci5 s VAL 13 N -1.60 0.04 0.09 3.54 1.01 -1.03 -4.77 120.40 117.67 1ci5 s VAL 13 Ca 0.21 -0.31 0.10 0.00 0.00 0.00 0.00 61.98 61.98 1ci5 s VAL 13 Cb -0.08 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 1ci5 s VAL 13 CO 0.10 -0.17 -0.26 -0.89 0.00 0.00 0.00 175.10 173.88 1ci5 s THR 14 N -1.91 2.26 -0.52 3.92 2.01 -1.26 -0.44 115.64 119.70 1ci5 s THR 14 Ca -0.09 -1.56 -0.01 0.00 0.31 0.00 0.00 61.69 60.34 1ci5 s THR 14 Cb -0.02 -1.95 0.14 0.00 0.01 0.00 0.00 72.50 70.68 1ci5 s THR 14 CO 0.02 0.22 0.31 -0.36 -0.69 0.00 0.00 174.62 174.12 1ci5 s PHE 15 N -0.95 3.46 0.56 4.92 0.40 0.53 -4.96 117.98 121.95 1ci5 s PHE 15 Ca 0.13 -2.72 -0.21 0.00 -0.60 0.00 0.00 56.93 53.52 1ci5 s PHE 15 Cb -0.10 -3.12 -0.05 0.00 0.51 0.00 0.00 43.02 40.26 1ci5 s PHE 15 CO 0.04 -0.88 1.34 0.72 0.70 0.00 0.00 175.22 177.15 1ci5 n HIS 16 N 3.83 2.24 -4.26 0.36 8.25 -1.26 -2.49 115.22 121.88 1ci5 n HIS 16 Ca 0.04 0.43 -0.34 0.00 -0.26 0.00 0.00 57.72 57.59 1ci5 n HIS 16 Cb 0.38 -2.35 -0.14 0.00 1.12 0.00 0.00 29.99 29.00 1ci5 n HIS 16 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1ci5 s VAL 17 N -1.30 3.16 -0.89 1.59 1.01 -1.26 -4.95 120.40 117.75 1ci5 s VAL 17 Ca 0.73 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 62.04 1ci5 s VAL 17 Cb -0.41 -2.39 -0.07 0.00 0.00 0.00 0.00 36.38 33.51 1ci5 s VAL 17 CO 0.48 0.47 2.07 -0.81 0.00 0.00 0.00 175.10 177.32 1ci5 n PRO 18 N 4.26 1.99 -3.60 2.72 -0.04 -1.26 -4.70 135.00 134.37 1ci5 n PRO 18 Ca -0.18 -1.51 -0.29 0.00 -0.04 0.00 0.00 63.50 61.47 1ci5 n PRO 18 Cb 0.51 -2.52 -0.14 0.00 -0.04 0.00 0.00 33.50 31.31 1ci5 n PRO 18 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ci5 s SER 19 N 3.66 3.58 0.55 3.54 0.15 -1.26 -4.86 113.70 119.05 1ci5 s SER 19 Ca 0.42 -1.69 0.25 0.00 0.70 0.00 0.00 55.95 55.62 1ci5 s SER 19 Cb 0.11 -0.57 1.47 0.00 -1.71 0.00 0.00 66.02 65.32 1ci5 s SER 19 CO -0.01 -0.39 2.07 -0.55 1.20 0.00 0.00 173.24 175.55 1ci5 h ASN 20 N 7.88 0.00 -2.85 5.45 -1.07 -1.95 -3.42 115.58 119.62 1ci5 h ASN 20 Ca -0.11 0.00 -0.45 0.00 0.07 0.00 0.00 56.30 55.80 1ci5 h ASN 20 Cb 1.00 0.00 0.04 0.00 -2.07 0.00 0.00 38.32 37.29 1ci5 h ASN 20 CO 0.42 0.00 -0.02 -1.10 0.07 0.00 0.00 177.43 176.80 1ci5 s GLN 21 N -4.87 2.81 0.21 4.14 -0.21 -1.26 -5.05 119.66 115.43 1ci5 s GLN 21 Ca -0.05 -0.51 -0.30 0.00 0.02 0.00 0.00 55.36 54.53 1ci5 s GLN 21 Cb 0.17 -2.47 -0.08 0.00 1.00 0.00 0.00 33.01 31.63 1ci5 s GLN 21 CO 0.64 -0.54 1.19 -1.25 -2.12 0.00 0.00 175.29 173.22 1ci5 s PRO 22 N -4.73 4.50 -0.34 2.91 0.04 -1.26 -4.70 135.00 131.42 1ci5 s PRO 22 Ca 0.53 1.90 -0.20 0.00 0.04 0.00 0.00 61.00 63.27 1ci5 s PRO 22 Cb -0.10 -3.22 -0.00 0.00 0.04 0.00 0.00 34.50 31.22 1ci5 s PRO 22 CO 0.39 -0.05 0.60 -0.51 0.04 0.00 0.00 177.00 177.47 1ci5 s LEU 23 N -0.53 4.25 0.03 -3.56 1.43 -0.87 -4.92 118.68 114.51 1ci5 s LEU 23 Ca 0.51 0.16 0.07 0.00 -1.03 0.00 0.00 54.13 53.84 1ci5 s LEU 23 Cb -0.33 -2.73 -0.23 0.00 0.03 0.00 0.00 46.19 42.93 1ci5 s LEU 23 CO 0.38 -0.53 0.95 0.11 0.23 0.00 0.00 176.35 177.49 1ci5 h LYS 24 N 8.40 0.06 -3.64 1.70 1.57 -1.93 -3.43 116.57 119.29 1ci5 h LYS 24 Ca -0.27 -0.10 -0.51 0.00 -1.87 0.00 0.00 60.65 57.90 1ci5 h LYS 24 Cb 1.12 0.04 -0.39 0.00 0.08 0.00 0.00 32.23 33.07 1ci5 h LYS 24 CO 0.81 0.84 -0.77 -2.00 -0.57 0.00 0.00 179.45 177.76 1ci5 s GLU 25 N -2.65 0.73 -0.09 3.15 -6.30 -1.26 -2.40 118.70 109.89 1ci5 s GLU 25 Ca -0.04 -0.35 0.00 0.00 -2.50 0.00 0.00 54.97 52.09 1ci5 s GLU 25 Cb 0.08 -1.91 0.02 0.00 0.00 0.00 0.00 34.13 32.33 1ci5 s GLU 25 CO 0.83 -0.56 -0.06 0.54 0.02 0.00 0.00 175.26 176.02 1ci5 s VAL 26 N 1.85 0.85 -0.25 3.70 0.11 -0.88 -3.82 120.40 121.96 1ci5 s VAL 26 Ca 0.00 -0.21 0.03 0.00 -2.93 0.00 0.00 61.98 58.86 1ci5 s VAL 26 Cb -0.16 -0.87 0.05 0.00 -1.53 0.00 0.00 36.38 33.87 1ci5 s VAL 26 CO -0.07 0.32 -0.12 -0.22 -3.33 0.00 0.00 175.10 171.68 1ci5 s LEU 27 N 1.48 3.31 -0.03 2.54 2.96 0.05 0.13 118.68 129.13 1ci5 s LEU 27 Ca -0.00 -1.31 -0.15 0.00 -0.22 0.00 0.00 54.13 52.45 1ci5 s LEU 27 Cb -0.13 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 44.96 1ci5 s LEU 27 CO -0.04 -0.17 0.40 0.26 -1.32 0.00 0.00 176.35 175.48 1ci5 s TRP 28 N 1.13 3.69 0.12 5.38 0.52 0.21 0.14 118.94 130.13 1ci5 s TRP 28 Ca -0.07 0.95 0.07 0.00 0.02 0.00 0.00 56.10 57.07 1ci5 s TRP 28 Cb -0.19 -2.32 -0.04 0.00 -1.15 0.00 0.00 33.47 29.77 1ci5 s TRP 28 CO -0.06 0.57 -0.18 0.15 0.02 0.00 0.00 176.95 177.45 1ci5 s LYS 29 N -0.78 1.10 -0.17 4.98 3.01 0.27 -0.55 119.74 127.60 1ci5 s LYS 29 Ca 0.23 -1.22 -0.05 0.00 -1.01 0.00 0.00 55.97 53.93 1ci5 s LYS 29 Cb -0.16 -1.19 0.06 0.00 -1.01 0.00 0.00 37.83 35.53 1ci5 s LYS 29 CO 0.12 0.26 0.10 0.21 0.51 0.00 0.00 175.35 176.55 1ci5 s LYS 30 N -2.30 0.07 6.66 1.68 2.20 0.30 -1.30 119.74 127.06 1ci5 s LYS 30 Ca 0.08 -0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.67 1ci5 s LYS 30 Cb -0.08 -1.71 0.00 0.00 -1.51 0.00 0.00 37.83 34.54 1ci5 s LYS 30 CO 0.04 -0.65 0.00 1.04 -0.36 0.00 0.00 175.35 175.42 1ci5 n GLN 31 N 5.29 0.00 -0.92 4.03 6.02 -1.25 -2.14 117.38 128.40 1ci5 n GLN 31 Ca -0.07 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.81 1ci5 n GLN 31 Cb 0.49 0.00 0.21 0.00 1.02 0.00 0.00 30.24 31.96 1ci5 n GLN 31 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1ci5 n LYS 32 N 13.35 2.76 -4.03 -1.09 3.00 -1.26 -4.91 118.16 125.98 1ci5 n LYS 32 Ca 0.00 -2.52 -0.08 0.00 -0.00 0.00 0.00 58.31 55.71 1ci5 n LYS 32 Cb 0.00 -2.03 -0.10 0.00 0.00 0.00 0.00 35.03 32.91 1ci5 n LYS 32 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1ci5 s ASP 33 N -0.81 0.39 0.14 3.14 2.15 -0.91 -5.16 116.67 115.62 1ci5 s ASP 33 Ca 0.46 -0.87 -0.14 0.00 0.43 0.00 0.00 52.55 52.43 1ci5 s ASP 33 Cb 0.38 0.22 -0.07 0.00 -0.30 0.00 0.00 42.92 43.15 1ci5 s ASP 33 CO 0.10 -0.59 0.54 -0.54 -0.17 0.00 0.00 175.17 174.51 1ci5 s LYS 34 N -3.61 3.96 -0.12 4.34 1.02 -1.26 -0.54 119.74 123.53 1ci5 s LYS 34 Ca 0.04 0.46 -0.12 0.00 0.02 0.00 0.00 55.97 56.37 1ci5 s LYS 34 Cb 0.05 -2.93 -0.04 0.00 -0.52 0.00 0.00 37.83 34.39 1ci5 s LYS 34 CO -0.09 0.48 -0.24 0.28 -0.92 0.00 0.00 175.35 174.86 1ci5 n VAL 35 N 0.79 1.06 -4.00 3.17 0.31 0.29 -4.42 118.33 115.52 1ci5 n VAL 35 Ca -0.05 0.24 -0.08 0.00 -0.01 0.00 0.00 64.34 64.44 1ci5 n VAL 35 Cb 0.52 -2.08 -0.09 0.00 -0.91 0.00 0.00 33.84 31.28 1ci5 n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ci5 s ALA 36 N -2.90 0.24 -0.17 3.52 0.00 -0.98 -1.54 121.76 119.92 1ci5 s ALA 36 Ca -0.20 -0.97 -0.06 0.00 0.00 0.00 0.00 51.96 50.73 1ci5 s ALA 36 Cb 0.03 0.33 0.08 0.00 0.00 0.00 0.00 23.12 23.56 1ci5 s ALA 36 CO 0.29 -0.41 0.37 -2.00 0.00 0.00 0.00 175.76 174.02 1ci5 s GLU 37 N -3.77 0.27 -0.14 0.00 2.12 -0.54 0.68 118.70 117.33 1ci5 s GLU 37 Ca 0.05 0.92 -0.06 0.00 0.36 0.00 0.00 54.97 56.24 1ci5 s GLU 37 Cb 0.06 0.19 -0.04 0.00 0.26 0.00 0.00 34.13 34.60 1ci5 s GLU 37 CO -0.10 -0.25 0.08 -1.17 -0.54 0.00 0.00 175.26 173.28 1ci5 s LEU 38 N 2.42 3.97 -0.26 2.70 2.96 0.36 -2.24 118.68 128.59 1ci5 s LEU 38 Ca -0.02 0.24 -0.01 0.00 -0.22 0.00 0.00 54.13 54.12 1ci5 s LEU 38 Cb -0.12 -1.97 0.13 0.00 0.50 0.00 0.00 46.19 44.74 1ci5 s LEU 38 CO -0.11 0.31 0.32 -1.61 -1.32 0.00 0.00 176.35 173.94 1ci5 s GLU 39 N -0.45 0.32 -0.91 1.98 2.02 -0.23 -2.08 118.70 119.36 1ci5 s GLU 39 Ca 0.10 0.13 -0.04 0.00 0.02 0.00 0.00 54.97 55.18 1ci5 s GLU 39 Cb -0.12 -0.65 -0.03 0.00 0.10 0.00 0.00 34.13 33.43 1ci5 s GLU 39 CO 0.02 -0.87 0.79 0.09 0.02 0.00 0.00 175.26 175.31 1ci5 n ASN 40 N 5.33 -6.95 -2.03 -0.19 4.13 -1.01 -2.22 115.26 112.32 1ci5 n ASN 40 Ca -0.03 -0.46 -0.17 0.00 1.68 0.00 0.00 54.58 55.60 1ci5 n ASN 40 Cb 0.48 -4.89 -0.04 0.00 -1.54 0.00 0.00 39.78 33.80 1ci5 n ASN 40 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1ci5 n SER 41 N -2.48 -4.76 -4.00 6.41 3.41 -1.26 -4.92 113.62 106.02 1ci5 n SER 41 Ca -0.05 0.22 -0.31 0.00 -0.26 0.00 0.00 58.87 58.47 1ci5 n SER 41 Cb 0.57 -4.12 -0.14 0.00 -0.26 0.00 0.00 64.21 60.26 1ci5 n SER 41 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1ci5 s GLU 42 N -4.36 1.71 -0.20 4.33 2.56 -0.94 -5.08 118.70 116.71 1ci5 s GLU 42 Ca 0.00 -2.18 -0.17 0.00 0.00 0.00 0.00 54.97 52.62 1ci5 s GLU 42 Cb 0.00 -3.28 -0.04 0.00 2.00 0.00 0.00 34.13 32.82 1ci5 s GLU 42 CO 0.00 -1.01 0.45 0.12 -0.56 0.00 0.00 175.26 174.25 1ci5 s PHE 43 N 0.43 3.37 -0.13 5.30 5.36 -1.26 -1.06 117.98 129.99 1ci5 s PHE 43 Ca 0.13 0.68 -0.06 0.00 -0.96 0.00 0.00 56.93 56.72 1ci5 s PHE 43 Cb -0.22 -2.59 0.06 0.00 -0.34 0.00 0.00 43.02 39.93 1ci5 s PHE 43 CO -0.05 -0.05 0.31 1.03 -1.46 0.00 0.00 175.22 175.00 1ci5 s ARG 44 N 1.45 0.26 0.24 10.12 0.52 -0.95 -5.01 118.95 125.57 1ci5 s ARG 44 Ca 0.21 0.67 0.05 0.00 -0.52 0.00 0.00 55.73 56.14 1ci5 s ARG 44 Cb -0.15 -0.05 -0.03 0.00 0.52 0.00 0.00 34.95 35.23 1ci5 s ARG 44 CO 0.09 -0.18 0.31 0.00 0.02 0.00 0.00 175.30 175.53 1ci5 s ALA 45 N 1.55 3.83 0.11 2.13 0.00 -1.26 -1.47 121.76 126.64 1ci5 s ALA 45 Ca -0.07 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 50.62 1ci5 s ALA 45 Cb -0.10 -1.61 0.01 0.00 0.00 0.00 0.00 23.12 21.42 1ci5 s ALA 45 CO -0.10 0.27 0.06 1.19 0.00 0.00 0.00 175.76 177.18 1ci5 n PHE 46 N -1.27 -1.02 -3.46 0.00 3.72 -0.59 -4.46 117.46 110.38 1ci5 n PHE 46 Ca -0.09 -0.46 -0.23 0.00 -0.05 0.00 0.00 57.45 56.62 1ci5 n PHE 46 Cb 0.57 -0.08 -0.02 0.00 -0.94 0.00 0.00 39.48 39.00 1ci5 n PHE 46 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1ci5 n SER 47 N -1.79 -2.66 -2.27 4.37 3.41 -1.26 0.70 113.62 114.11 1ci5 n SER 47 Ca -0.01 -0.40 -0.14 0.00 -0.26 0.00 0.00 58.87 58.05 1ci5 n SER 47 Cb 0.12 -2.26 -0.02 0.00 -0.26 0.00 0.00 64.21 61.79 1ci5 n SER 47 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ci5 n SER 48 N -2.15 -4.29 0.16 4.04 3.41 -1.26 -4.82 113.62 108.71 1ci5 n SER 48 Ca 0.02 0.18 0.11 0.00 -0.26 0.00 0.00 58.87 58.91 1ci5 n SER 48 Cb 0.51 -3.67 0.08 0.00 -0.26 0.00 0.00 64.21 60.87 1ci5 n SER 48 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1ci5 h PHE 49 N 0.00 0.00 -1.16 7.33 3.04 -0.01 -3.34 116.94 122.80 1ci5 h PHE 49 Ca -0.33 0.00 0.33 0.00 3.98 0.00 0.00 57.97 61.95 1ci5 h PHE 49 Cb 1.20 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 39.65 1ci5 h PHE 49 CO 0.62 0.06 0.81 1.57 -2.02 0.00 0.00 178.31 179.36 1ci5 h LYS 50 N 0.00 0.10 -0.19 1.11 2.10 -1.78 1.21 116.57 119.11 1ci5 h LYS 50 Ca -0.01 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1ci5 h LYS 50 Cb 1.06 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 1ci5 h LYS 50 CO 0.01 0.06 0.00 0.27 -2.00 0.00 0.00 179.45 177.79 1ci5 n ASN 51 N -4.31 1.10 -0.54 7.07 6.94 -1.25 -3.57 115.26 120.70 1ci5 n ASN 51 Ca 0.26 -1.93 0.00 0.00 -0.02 0.00 0.00 54.58 52.89 1ci5 n ASN 51 Cb 1.17 -0.13 -0.00 0.00 -2.36 0.00 0.00 39.78 38.46 1ci5 n ASN 51 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1ci5 n ARG 52 N 0.07 0.00 -4.10 -3.83 1.74 0.40 -5.01 116.66 105.94 1ci5 n ARG 52 Ca 0.08 -0.76 -0.12 0.00 -0.77 0.00 0.00 57.85 56.29 1ci5 n ARG 52 Cb 0.18 -0.33 -0.11 0.00 -1.02 0.00 0.00 32.46 31.19 1ci5 n ARG 52 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1ci5 s VAL 53 N 0.00 0.55 -0.38 1.55 -7.23 -0.30 0.69 120.40 115.27 1ci5 s VAL 53 Ca 0.01 -1.42 0.03 0.00 -1.81 0.00 0.00 61.98 58.79 1ci5 s VAL 53 Cb 0.01 -1.03 0.16 0.00 0.56 0.00 0.00 36.38 36.08 1ci5 s VAL 53 CO -0.01 -0.60 0.35 -0.47 -0.31 0.00 0.00 175.10 174.06 1ci5 s TYR 54 N -2.35 0.10 -0.05 2.82 5.04 0.31 -4.88 117.35 118.35 1ci5 s TYR 54 Ca -0.01 -1.27 -0.27 0.00 -2.44 0.00 0.00 57.07 53.08 1ci5 s TYR 54 Cb -0.03 -0.57 -0.03 0.00 0.35 0.00 0.00 41.96 41.68 1ci5 s TYR 54 CO -0.02 -0.93 0.86 -1.17 -1.34 0.00 0.00 175.55 172.95 1ci5 s LEU 55 N 1.06 4.33 0.72 6.97 2.96 -1.26 -0.27 118.68 133.19 1ci5 s LEU 55 Ca 0.21 1.43 -0.11 0.00 -0.22 0.00 0.00 54.13 55.44 1ci5 s LEU 55 Cb -0.13 -3.36 0.02 0.00 0.50 0.00 0.00 46.19 43.23 1ci5 s LEU 55 CO -0.04 -0.23 1.08 -0.62 -1.32 0.00 0.00 176.35 175.21 1ci5 s ASP 56 N 0.95 5.02 -0.34 3.68 -1.08 0.36 -4.96 116.67 120.29 1ci5 s ASP 56 Ca 0.45 1.75 0.07 0.00 -0.52 0.00 0.00 52.55 54.30 1ci5 s ASP 56 Cb -0.19 -2.51 0.47 0.00 -1.46 0.00 0.00 42.92 39.22 1ci5 s ASP 56 CO 0.22 -1.69 1.42 1.07 0.52 0.00 0.00 175.17 176.71 1ci5 n THR 57 N -3.14 2.68 0.00 1.71 5.66 -1.26 -4.24 114.28 115.69 1ci5 n THR 57 Ca 0.09 -3.44 0.00 0.00 -3.05 0.00 0.00 64.05 57.65 1ci5 n THR 57 Cb 0.53 -0.77 0.00 0.00 -1.55 0.00 0.00 70.33 68.54 1ci5 n THR 57 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1ci5 n LYS 58 N -0.93 0.00 -0.28 1.09 4.01 -1.26 -4.89 118.16 115.90 1ci5 n LYS 58 Ca 0.41 0.00 0.10 0.00 -0.51 0.00 0.00 58.31 58.31 1ci5 n LYS 58 Cb 0.92 0.00 0.26 0.00 -0.51 0.00 0.00 35.03 35.69 1ci5 n LYS 58 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1ci5 n SER 59 N -1.74 3.58 0.00 4.39 2.88 -1.26 -2.05 113.62 119.42 1ci5 n SER 59 Ca 0.00 -1.98 0.00 0.00 -1.33 0.00 0.00 58.87 55.56 1ci5 n SER 59 Cb 0.00 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 1ci5 n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ci5 n GLY 60 N 1.34 0.80 3.58 0.46 0.00 -1.26 -4.55 105.19 105.56 1ci5 n GLY 60 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1ci5 n GLY 60 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ci5 n SER 61 N 0.00 0.80 -4.21 1.61 7.64 -1.26 -4.62 113.62 113.58 1ci5 n SER 61 Ca 0.00 0.99 -0.29 0.00 1.01 0.00 0.00 58.87 60.57 1ci5 n SER 61 Cb 0.00 -1.31 -0.16 0.00 -1.01 0.00 0.00 64.21 61.73 1ci5 n SER 61 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1ci5 s LEU 62 N -0.24 2.00 -0.25 -3.43 2.96 -1.04 0.14 118.68 118.82 1ci5 s LEU 62 Ca 0.64 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 54.11 1ci5 s LEU 62 Cb -0.55 -1.22 0.06 0.00 0.50 0.00 0.00 46.19 44.98 1ci5 s LEU 62 CO 0.56 0.20 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.84 1ci5 s THR 63 N -0.02 1.72 0.53 3.68 2.01 0.63 0.20 115.64 124.39 1ci5 s THR 63 Ca -0.05 -1.42 -0.14 0.00 0.31 0.00 0.00 61.69 60.38 1ci5 s THR 63 Cb -0.13 -1.98 -0.07 0.00 0.01 0.00 0.00 72.50 70.33 1ci5 s THR 63 CO 0.04 -0.14 0.98 -0.63 -0.69 0.00 0.00 174.62 174.17 1ci5 s ILE 64 N 1.29 4.60 0.04 1.82 1.01 0.42 0.12 121.20 130.51 1ci5 s ILE 64 Ca -0.05 1.07 0.06 0.00 0.00 0.00 0.00 60.65 61.73 1ci5 s ILE 64 Cb -0.19 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.49 1ci5 s ILE 64 CO -0.07 -0.79 -0.18 -0.31 0.00 0.00 0.00 174.94 173.59 1ci5 s TYR 65 N -2.74 1.59 -0.16 3.97 2.02 0.22 -2.46 117.35 119.78 1ci5 s TYR 65 Ca 0.57 -0.37 -0.07 0.00 -0.37 0.00 0.00 57.07 56.84 1ci5 s TYR 65 Cb -0.10 -0.94 0.03 0.00 -0.40 0.00 0.00 41.96 40.54 1ci5 s TYR 65 CO 0.37 0.08 0.14 0.09 -1.57 0.00 0.00 175.55 174.65 1ci5 n ASN 66 N 1.83 -3.76 -4.96 2.29 4.13 -0.40 -4.74 115.26 109.64 1ci5 n ASN 66 Ca -0.18 1.22 -0.21 0.00 1.68 0.00 0.00 54.58 57.10 1ci5 n ASN 66 Cb 0.54 -4.27 -0.02 0.00 -1.54 0.00 0.00 39.78 34.49 1ci5 n ASN 66 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1ci5 s LEU 67 N -0.75 4.24 0.00 3.41 1.43 -1.18 -4.76 118.68 121.06 1ci5 s LEU 67 Ca -0.16 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 1ci5 s LEU 67 Cb 0.01 -2.81 -0.00 0.00 0.03 0.00 0.00 46.19 43.42 1ci5 s LEU 67 CO 0.58 -0.11 0.00 0.35 0.23 0.00 0.00 176.35 177.40 1ci5 n THR 68 N -1.42 0.00 0.42 5.49 -2.24 -1.26 -0.32 114.28 114.95 1ci5 n THR 68 Ca -0.08 -0.01 0.13 0.00 -2.27 0.00 0.00 64.05 61.82 1ci5 n THR 68 Cb 0.57 0.00 0.41 0.00 -2.10 0.00 0.00 70.33 69.21 1ci5 n THR 68 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1ci5 h SER 69 N 0.01 0.00 1.20 3.42 0.87 -1.99 -2.90 113.55 114.17 1ci5 h SER 69 Ca -0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1ci5 h SER 69 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 1ci5 h SER 69 CO 0.00 0.00 -0.82 -1.28 -0.53 0.00 0.00 176.83 174.21 1ci5 h SER 70 N 0.00 0.00 0.93 6.23 0.87 -2.00 -3.28 113.55 116.30 1ci5 h SER 70 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ci5 h SER 70 Cb 0.69 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1ci5 h SER 70 CO 0.00 0.12 0.00 0.44 -0.53 0.00 0.00 176.83 176.86 1ci5 h ASP 71 N 0.00 0.00 -0.06 6.23 5.19 -1.90 -3.36 116.42 122.52 1ci5 h ASP 71 Ca -0.03 0.00 -0.64 0.00 -0.62 0.00 0.00 57.03 55.75 1ci5 h ASP 71 Cb 1.12 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.65 1ci5 h ASP 71 CO 0.01 0.00 2.33 1.21 -3.12 0.00 0.00 179.24 179.67 1ci5 n GLU 72 N -2.89 1.77 -4.13 3.56 2.13 -1.24 -4.74 120.64 115.11 1ci5 n GLU 72 Ca 0.01 -2.06 -0.10 0.00 0.66 0.00 0.00 57.16 55.67 1ci5 n GLU 72 Cb 0.28 -3.06 -0.09 0.00 0.27 0.00 0.00 31.44 28.84 1ci5 n GLU 72 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1ci5 s ASP 73 N 4.82 0.22 0.03 4.31 1.01 -1.16 -4.89 116.67 121.00 1ci5 s ASP 73 Ca 0.57 -1.19 -0.30 0.00 0.71 0.00 0.00 52.55 52.33 1ci5 s ASP 73 Cb 0.13 0.34 -0.04 0.00 1.01 0.00 0.00 42.92 44.37 1ci5 s ASP 73 CO 0.09 -0.79 0.99 -1.83 0.21 0.00 0.00 175.17 173.84 1ci5 s GLU 74 N -4.06 4.58 0.06 8.23 1.03 -1.26 -2.04 118.70 125.23 1ci5 s GLU 74 Ca 0.26 1.45 0.04 0.00 0.03 0.00 0.00 54.97 56.75 1ci5 s GLU 74 Cb 0.07 -3.44 -0.04 0.00 -0.80 0.00 0.00 34.13 29.92 1ci5 s GLU 74 CO 0.04 -0.01 0.01 0.71 -1.33 0.00 0.00 175.26 174.68 1ci5 s TYR 75 N 0.82 3.04 -0.04 4.83 1.51 0.11 -3.80 117.35 123.82 1ci5 s TYR 75 Ca 0.51 0.02 0.01 0.00 -1.01 0.00 0.00 57.07 56.61 1ci5 s TYR 75 Cb -0.22 -1.59 0.02 0.00 -0.11 0.00 0.00 41.96 40.06 1ci5 s TYR 75 CO 0.28 0.48 -0.06 -2.00 -1.11 0.00 0.00 175.55 173.14 1ci5 s GLU 76 N -2.11 0.93 0.06 -0.62 2.12 -0.42 -0.98 118.70 117.68 1ci5 s GLU 76 Ca 0.25 -0.18 0.04 0.00 0.36 0.00 0.00 54.97 55.44 1ci5 s GLU 76 Cb -0.12 -0.89 -0.04 0.00 0.26 0.00 0.00 34.13 33.35 1ci5 s GLU 76 CO 0.17 -0.03 -0.02 1.41 -0.54 0.00 0.00 175.26 176.25 1ci5 s MET 77 N 0.71 2.57 -0.21 4.30 -2.45 0.20 0.97 119.30 125.40 1ci5 s MET 77 Ca -0.10 -0.78 0.01 0.00 -1.25 0.00 0.00 55.69 53.57 1ci5 s MET 77 Cb -0.13 -2.55 0.04 0.00 1.25 0.00 0.00 34.83 33.44 1ci5 s MET 77 CO 0.01 0.57 -0.12 -2.00 1.05 0.00 0.00 175.02 174.52 1ci5 s GLU 78 N -1.99 2.27 0.05 4.11 -6.30 0.38 -1.08 118.70 116.14 1ci5 s GLU 78 Ca 0.23 -0.97 0.02 0.00 -2.50 0.00 0.00 54.97 51.75 1ci5 s GLU 78 Cb -0.12 -2.57 -0.03 0.00 0.00 0.00 0.00 34.13 31.42 1ci5 s GLU 78 CO 0.14 -0.42 -0.08 -1.12 0.02 0.00 0.00 175.26 173.80 1ci5 s SER 79 N 1.30 0.92 0.01 -1.70 0.01 -1.26 -0.77 113.70 112.20 1ci5 s SER 79 Ca -0.02 -0.59 -0.18 0.00 1.31 0.00 0.00 55.95 56.47 1ci5 s SER 79 Cb -0.17 0.04 -0.35 0.00 0.21 0.00 0.00 66.02 65.76 1ci5 s SER 79 CO -0.08 -0.22 0.97 1.55 0.41 0.00 0.00 173.24 175.86 1ci5 h PRO 80 N 4.35 0.47 -0.22 12.44 0.13 -1.91 -3.31 132.00 143.95 1ci5 h PRO 80 Ca -0.36 -0.80 -0.13 0.00 -0.87 0.00 0.00 66.00 63.84 1ci5 h PRO 80 Cb 1.20 0.30 -0.01 0.00 0.13 0.00 0.00 31.00 32.62 1ci5 h PRO 80 CO 0.43 1.38 -0.40 -0.91 -0.23 0.00 0.00 178.00 178.28 1ci5 h ASN 81 N -0.02 0.53 -3.99 1.44 2.35 -1.94 -3.45 115.58 110.51 1ci5 h ASN 81 Ca -0.22 -0.23 -0.54 0.00 -0.55 0.00 0.00 56.30 54.76 1ci5 h ASN 81 Cb 2.01 -0.15 0.19 0.00 0.05 0.00 0.00 38.32 40.42 1ci5 h ASN 81 CO 0.24 0.88 0.13 -0.38 -1.65 0.00 0.00 177.43 176.65 1ci5 n ILE 82 N -4.03 1.60 -0.23 2.81 5.41 -1.25 -4.90 119.36 118.78 1ci5 n ILE 82 Ca -0.02 -0.21 -0.05 0.00 1.00 0.00 0.00 62.75 63.48 1ci5 n ILE 82 Cb 0.50 -1.06 0.06 0.00 -0.71 0.00 0.00 39.64 38.43 1ci5 n ILE 82 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1ci5 h THR 83 N -1.00 1.12 0.00 1.39 2.02 -1.86 -3.45 112.91 111.13 1ci5 h THR 83 Ca -0.46 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.44 1ci5 h THR 83 Cb 1.30 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1ci5 h THR 83 CO 0.44 0.15 0.00 0.47 0.37 0.00 0.00 175.52 176.95 1ci5 n ASP 84 N -4.67 0.00 -3.62 4.18 9.92 -1.26 -5.12 116.55 115.98 1ci5 n ASP 84 Ca 0.06 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.26 1ci5 n ASP 84 Cb 0.05 0.21 -0.05 0.00 -0.64 0.00 0.00 41.12 40.69 1ci5 n ASP 84 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1ci5 s SER 85 N -2.12 -0.19 0.47 -2.24 0.01 -1.26 -4.28 113.70 104.09 1ci5 s SER 85 Ca 0.00 0.24 -0.10 0.00 1.31 0.00 0.00 55.95 57.40 1ci5 s SER 85 Cb 0.00 0.20 -0.05 0.00 0.21 0.00 0.00 66.02 66.38 1ci5 s SER 85 CO 0.00 -0.15 0.84 -0.32 0.41 0.00 0.00 173.24 174.02 1ci5 s MET 86 N -0.84 3.70 -0.47 12.44 1.75 -0.25 -4.85 119.30 130.78 1ci5 s MET 86 Ca 0.04 0.48 0.06 0.00 -1.25 0.00 0.00 55.69 55.02 1ci5 s MET 86 Cb -0.02 -2.31 0.18 0.00 2.84 0.00 0.00 34.83 35.52 1ci5 s MET 86 CO -0.05 -0.19 0.54 0.15 -0.65 0.00 0.00 175.02 174.82 1ci5 s LYS 87 N -4.35 0.99 -0.17 4.11 3.01 -1.26 -0.62 119.74 121.46 1ci5 s LYS 87 Ca 0.51 -1.54 -0.11 0.00 -1.01 0.00 0.00 55.97 53.82 1ci5 s LYS 87 Cb -0.10 -0.69 -0.05 0.00 -1.01 0.00 0.00 37.83 35.98 1ci5 s LYS 87 CO 0.39 -1.36 0.21 -0.06 0.51 0.00 0.00 175.35 175.04 1ci5 s PHE 88 N 0.51 3.46 -0.38 3.18 0.40 -0.15 -2.66 117.98 122.35 1ci5 s PHE 88 Ca 0.31 0.48 -0.18 0.00 -0.60 0.00 0.00 56.93 56.94 1ci5 s PHE 88 Cb 0.02 -2.21 0.01 0.00 0.51 0.00 0.00 43.02 41.34 1ci5 s PHE 88 CO -0.12 0.33 0.48 0.12 0.70 0.00 0.00 175.22 176.73 1ci5 s PHE 89 N 0.21 3.17 0.18 0.36 2.19 0.28 0.09 117.98 124.44 1ci5 s PHE 89 Ca 0.13 -0.04 -0.21 0.00 0.33 0.00 0.00 56.93 57.13 1ci5 s PHE 89 Cb -0.12 -2.93 -0.08 0.00 -1.31 0.00 0.00 43.02 38.58 1ci5 s PHE 89 CO 0.01 -0.61 0.71 -1.17 1.83 0.00 0.00 175.22 175.99 1ci5 s LEU 90 N 2.32 4.46 -0.11 6.12 2.96 -0.87 0.11 118.68 133.66 1ci5 s LEU 90 Ca 0.16 1.45 0.01 0.00 -0.22 0.00 0.00 54.13 55.53 1ci5 s LEU 90 Cb -0.16 -3.36 0.02 0.00 0.50 0.00 0.00 46.19 43.19 1ci5 s LEU 90 CO 0.14 0.14 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.88 1ci5 s TYR 91 N -1.33 1.76 -0.17 5.38 2.02 -0.42 -3.00 117.35 121.58 1ci5 s TYR 91 Ca 0.38 -0.86 -0.16 0.00 -0.37 0.00 0.00 57.07 56.06 1ci5 s TYR 91 Cb -0.19 -1.34 -0.04 0.00 -0.40 0.00 0.00 41.96 39.99 1ci5 s TYR 91 CO 0.22 -0.50 0.38 0.08 -1.57 0.00 0.00 175.55 174.16 1ci5 s VAL 92 N 1.29 5.23 0.43 0.71 1.01 -1.26 0.12 120.40 127.93 1ci5 s VAL 92 Ca -0.01 0.70 0.03 0.00 0.00 0.00 0.00 61.98 62.70 1ci5 s VAL 92 Cb -0.14 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1ci5 s VAL 92 CO -0.05 0.31 0.07 -0.83 0.00 0.00 0.00 175.10 174.60 1ci5 s GLY 93 N 0.80 2.65 -0.04 4.51 0.00 0.84 -4.90 107.32 111.18 1ci5 s GLY 93 Ca 0.19 -1.17 -0.05 0.00 0.00 0.00 0.00 44.72 43.69 1ci5 s GLY 93 CO 0.07 -1.96 0.67 0.83 0.00 0.00 0.00 173.10 172.72 1ci5 h GLU 94 N 1.70 0.29 0.00 2.90 4.39 -1.95 0.87 114.58 122.77 1ci5 h GLU 94 Ca -0.39 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 58.82 1ci5 h GLU 94 Cb 1.28 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 30.11 1ci5 h GLU 94 CO 0.66 1.16 0.00 -1.13 -1.16 0.00 0.00 179.01 178.53