#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 5.33 -0.07 6.43 1.04 -1.26 -4.81 113.70 120.35 1ci5 s SER 2 Ca 0.00 -0.18 -0.05 0.00 0.48 0.00 0.00 55.95 56.20 1ci5 s SER 2 Cb 0.00 -0.72 0.02 0.00 0.10 0.00 0.00 66.02 65.42 1ci5 s SER 2 CO 0.00 -1.08 0.17 -1.58 0.98 0.00 0.00 173.24 171.73 1ci5 s GLN 3 N -4.66 0.18 0.09 4.02 0.74 -1.20 -5.04 119.66 113.79 1ci5 s GLN 3 Ca 0.57 0.28 -0.01 0.00 0.05 0.00 0.00 55.36 56.26 1ci5 s GLN 3 Cb -0.10 0.04 -0.04 0.00 1.10 0.00 0.00 33.01 34.01 1ci5 s GLN 3 CO 0.37 -0.06 0.26 -0.65 -0.55 0.00 0.00 175.29 174.67 1ci5 s GLN 4 N 0.35 3.48 0.16 1.67 1.11 -1.26 0.17 119.66 125.33 1ci5 s GLN 4 Ca -0.02 -0.39 0.08 0.00 0.01 0.00 0.00 55.36 55.04 1ci5 s GLN 4 Cb -0.03 -2.98 -0.04 0.00 -1.01 0.00 0.00 33.01 28.94 1ci5 s GLN 4 CO -0.01 0.56 -0.18 0.42 0.01 0.00 0.00 175.29 176.09 1ci5 s ILE 5 N -1.58 1.76 -0.26 1.08 -1.09 0.34 -4.86 121.20 116.58 1ci5 s ILE 5 Ca 0.36 -1.88 -0.07 0.00 -2.23 0.00 0.00 60.65 56.83 1ci5 s ILE 5 Cb -0.12 -1.80 -0.02 0.00 -1.58 0.00 0.00 42.46 38.94 1ci5 s ILE 5 CO 0.27 -0.32 0.06 -0.31 -1.23 0.00 0.00 174.94 173.42 1ci5 s TYR 6 N -2.03 3.08 0.43 3.97 2.02 -1.26 -1.64 117.35 121.93 1ci5 s TYR 6 Ca 0.15 -0.58 0.03 0.00 -0.37 0.00 0.00 57.07 56.30 1ci5 s TYR 6 Cb -0.06 -2.23 -0.03 0.00 -0.40 0.00 0.00 41.96 39.24 1ci5 s TYR 6 CO 0.06 -0.42 0.06 0.20 -1.57 0.00 0.00 175.55 173.87 1ci5 s GLY 7 N 1.58 2.67 -0.11 0.71 0.00 0.22 -4.93 107.32 107.46 1ci5 s GLY 7 Ca 0.06 -1.18 -0.11 0.00 0.00 0.00 0.00 44.72 43.49 1ci5 s GLY 7 CO 0.03 -2.00 0.31 -1.34 0.00 0.00 0.00 173.10 170.10 1ci5 s VAL 8 N -3.04 0.00 0.34 1.40 -7.23 -1.26 -0.68 120.40 109.94 1ci5 s VAL 8 Ca 0.20 -0.02 -0.26 0.00 -1.81 0.00 0.00 61.98 60.09 1ci5 s VAL 8 Cb 0.04 -0.44 -0.13 0.00 0.56 0.00 0.00 36.38 36.41 1ci5 s VAL 8 CO 0.11 -0.01 0.93 0.29 -0.31 0.00 0.00 175.10 176.10 1ci5 n LYS 9 N 2.84 1.20 -1.59 4.82 5.02 0.17 -0.24 118.16 130.38 1ci5 n LYS 9 Ca -0.13 0.43 -0.20 0.00 -2.02 0.00 0.00 58.31 56.38 1ci5 n LYS 9 Cb 0.58 -1.83 -0.09 0.00 -0.02 0.00 0.00 35.03 33.67 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 -0.15 -0.01 -4.30 2.13 4.02 -0.85 -4.83 117.16 113.18 1ci5 n TYR 10 Ca 0.10 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.86 1ci5 n TYR 10 Cb 0.35 -3.37 -0.03 0.00 -0.02 0.00 0.00 39.34 36.27 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 -0.50 3.92 3.40 2.72 0.00 0.67 -4.79 105.19 110.60 1ci5 n GLY 11 Ca -0.20 -2.28 -0.21 0.00 0.00 0.00 0.00 46.02 43.34 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 -2.15 2.95 0.02 1.61 2.20 -1.26 -1.71 114.94 116.60 1ci5 s ASN 12 Ca 0.00 -1.06 -0.22 0.00 -0.94 0.00 0.00 52.86 50.64 1ci5 s ASN 12 Cb -0.00 -0.20 0.05 0.00 -2.00 0.00 0.00 41.25 39.10 1ci5 s ASN 12 CO 0.00 -0.14 0.50 -0.69 -2.94 0.00 0.00 177.10 173.84 1ci5 s VAL 13 N -2.83 0.03 0.02 3.54 1.01 -1.02 -4.74 120.40 116.42 1ci5 s VAL 13 Ca 0.26 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 62.04 1ci5 s VAL 13 Cb -0.01 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 1ci5 s VAL 13 CO 0.10 -0.15 -0.20 -0.89 0.00 0.00 0.00 175.10 173.97 1ci5 s THR 14 N -2.04 1.58 -0.55 3.92 2.01 -1.26 -0.34 115.64 118.95 1ci5 s THR 14 Ca -0.08 -1.06 -0.04 0.00 0.31 0.00 0.00 61.69 60.82 1ci5 s THR 14 Cb -0.01 -1.36 0.14 0.00 0.01 0.00 0.00 72.50 71.28 1ci5 s THR 14 CO 0.01 0.26 0.37 -0.36 -0.69 0.00 0.00 174.62 174.22 1ci5 s PHE 15 N -0.69 3.49 0.49 4.92 0.08 0.52 -4.96 117.98 121.82 1ci5 s PHE 15 Ca 0.07 -2.47 -0.21 0.00 0.12 0.00 0.00 56.93 54.43 1ci5 s PHE 15 Cb -0.08 -3.28 -0.07 0.00 -0.57 0.00 0.00 43.02 39.01 1ci5 s PHE 15 CO 0.01 -0.91 1.13 -1.01 -0.10 0.00 0.00 175.22 174.34 1ci5 s HIS 16 N 0.51 2.84 -0.13 0.36 3.76 -1.26 -2.03 115.29 119.33 1ci5 s HIS 16 Ca 0.13 1.55 0.02 0.00 -0.15 0.00 0.00 55.06 56.61 1ci5 s HIS 16 Cb -0.21 -3.29 0.01 0.00 1.11 0.00 0.00 32.58 30.20 1ci5 s HIS 16 CO -0.04 -1.39 -0.18 0.08 -0.85 0.00 0.00 174.74 172.37 1ci5 s VAL 17 N -1.69 1.74 -1.42 -0.90 1.01 -1.26 -4.96 120.40 112.92 1ci5 s VAL 17 Ca 0.67 -0.77 -0.10 0.00 0.00 0.00 0.00 61.98 61.77 1ci5 s VAL 17 Cb -0.25 -1.57 -0.06 0.00 0.00 0.00 0.00 36.38 34.50 1ci5 s VAL 17 CO 0.29 0.49 2.62 -0.81 0.00 0.00 0.00 175.10 177.69 1ci5 n PRO 18 N 4.28 3.13 -0.10 2.72 -0.04 -1.26 -4.26 135.00 139.48 1ci5 n PRO 18 Ca -0.19 -2.11 -0.12 0.00 -0.04 0.00 0.00 63.50 61.04 1ci5 n PRO 18 Cb 0.51 -2.82 -0.12 0.00 -0.04 0.00 0.00 33.50 31.03 1ci5 n PRO 18 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ci5 n SER 19 N 4.34 1.58 -2.16 3.54 2.88 -1.26 -4.99 113.62 117.54 1ci5 n SER 19 Ca 0.66 -0.06 -0.16 0.00 -1.33 0.00 0.00 58.87 57.98 1ci5 n SER 19 Cb 0.25 0.26 -0.02 0.00 -0.75 0.00 0.00 64.21 63.95 1ci5 n SER 19 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1ci5 n ASN 20 N -2.89 -4.53 -3.75 -3.46 5.15 -1.26 -4.93 115.26 99.58 1ci5 n ASN 20 Ca -0.33 0.19 -0.13 0.00 -0.60 0.00 0.00 54.58 53.71 1ci5 n ASN 20 Cb 0.98 -3.89 -0.08 0.00 -0.53 0.00 0.00 39.78 36.26 1ci5 n ASN 20 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1ci5 s GLN 21 N -4.58 0.76 -0.31 1.20 -0.21 -1.26 -5.11 119.66 110.15 1ci5 s GLN 21 Ca 0.00 -0.34 -0.28 0.00 0.02 0.00 0.00 55.36 54.75 1ci5 s GLN 21 Cb 0.00 0.33 -0.03 0.00 1.00 0.00 0.00 33.01 34.31 1ci5 s GLN 21 CO 0.00 -0.23 1.96 -1.25 -2.12 0.00 0.00 175.29 173.65 1ci5 s PRO 22 N -1.98 3.20 -0.45 2.91 0.04 -1.23 -4.35 135.00 133.14 1ci5 s PRO 22 Ca -0.09 1.61 -0.28 0.00 0.04 0.00 0.00 61.00 62.28 1ci5 s PRO 22 Cb -0.03 -4.28 0.03 0.00 0.04 0.00 0.00 34.50 30.26 1ci5 s PRO 22 CO 0.00 -2.02 1.06 -0.51 0.04 0.00 0.00 177.00 175.57 1ci5 s LEU 23 N 7.62 3.80 0.24 -3.56 1.43 -1.08 -4.88 118.68 122.25 1ci5 s LEU 23 Ca 0.87 0.45 0.19 0.00 -1.03 0.00 0.00 54.13 54.60 1ci5 s LEU 23 Cb -0.26 -3.43 0.05 0.00 0.03 0.00 0.00 46.19 42.59 1ci5 s LEU 23 CO 0.33 -1.12 1.24 0.07 0.23 0.00 0.00 176.35 177.10 1ci5 h LYS 24 N 9.00 0.00 -3.06 1.70 2.10 -1.93 -3.43 116.57 120.94 1ci5 h LYS 24 Ca -0.23 0.00 -0.50 0.00 -2.00 0.00 0.00 60.65 57.92 1ci5 h LYS 24 Cb 1.07 0.00 -0.40 0.00 -0.90 0.00 0.00 32.23 31.99 1ci5 h LYS 24 CO 1.08 0.25 -0.76 -1.21 -2.00 0.00 0.00 179.45 176.80 1ci5 s GLU 25 N -3.08 0.23 0.15 0.07 2.02 -1.26 -1.11 118.70 115.72 1ci5 s GLU 25 Ca 0.02 -0.34 0.08 0.00 0.02 0.00 0.00 54.97 54.75 1ci5 s GLU 25 Cb 0.08 -1.66 -0.04 0.00 0.10 0.00 0.00 34.13 32.61 1ci5 s GLU 25 CO 0.76 -0.80 -0.17 0.54 0.02 0.00 0.00 175.26 175.60 1ci5 s VAL 26 N 2.05 1.66 -0.07 2.63 0.11 -0.70 -3.85 120.40 122.24 1ci5 s VAL 26 Ca 0.04 -1.84 -0.03 0.00 -2.93 0.00 0.00 61.98 57.23 1ci5 s VAL 26 Cb -0.16 -1.73 0.04 0.00 -1.53 0.00 0.00 36.38 32.99 1ci5 s VAL 26 CO -0.19 -0.33 0.16 -0.22 -3.33 0.00 0.00 175.10 171.18 1ci5 s LEU 27 N -2.56 0.72 -0.00 2.54 2.96 0.65 0.14 118.68 123.12 1ci5 s LEU 27 Ca 0.13 0.33 0.08 0.00 -0.22 0.00 0.00 54.13 54.45 1ci5 s LEU 27 Cb -0.06 0.42 -0.02 0.00 0.50 0.00 0.00 46.19 47.03 1ci5 s LEU 27 CO 0.05 -0.15 -0.25 0.26 -1.32 0.00 0.00 176.35 174.95 1ci5 s TRP 28 N 1.12 2.22 0.13 5.38 0.52 0.24 0.10 118.94 128.65 1ci5 s TRP 28 Ca -0.09 -0.42 0.05 0.00 0.02 0.00 0.00 56.10 55.66 1ci5 s TRP 28 Cb -0.11 -1.40 -0.04 0.00 -1.15 0.00 0.00 33.47 30.77 1ci5 s TRP 28 CO -0.06 0.00 -0.11 0.15 0.02 0.00 0.00 176.95 176.95 1ci5 s LYS 29 N -0.74 1.00 -0.21 4.98 3.01 0.33 -0.36 119.74 127.75 1ci5 s LYS 29 Ca 0.10 -1.35 -0.05 0.00 -1.01 0.00 0.00 55.97 53.67 1ci5 s LYS 29 Cb -0.10 -0.65 0.07 0.00 -1.01 0.00 0.00 37.83 36.15 1ci5 s LYS 29 CO -0.00 0.09 0.11 0.21 0.51 0.00 0.00 175.35 176.27 1ci5 s LYS 30 N -3.34 0.11 6.67 1.68 2.20 0.12 -1.06 119.74 126.12 1ci5 s LYS 30 Ca 0.13 -0.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.52 1ci5 s LYS 30 Cb -0.00 -1.59 0.00 0.00 -1.51 0.00 0.00 37.83 34.73 1ci5 s LYS 30 CO 0.01 -0.78 0.00 1.04 -0.36 0.00 0.00 175.35 175.26 1ci5 n GLN 31 N 5.27 0.00 -0.63 4.03 6.02 -1.25 -2.03 117.38 128.79 1ci5 n GLN 31 Ca -0.07 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.90 1ci5 n GLN 31 Cb 0.47 0.00 0.20 0.00 1.02 0.00 0.00 30.24 31.93 1ci5 n GLN 31 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1ci5 n LYS 32 N 13.36 2.87 -4.07 -1.09 0.00 -1.26 -4.88 118.16 123.09 1ci5 n LYS 32 Ca 0.00 -1.93 -0.10 0.00 -0.00 0.00 0.00 58.31 56.28 1ci5 n LYS 32 Cb 0.00 -1.90 -0.11 0.00 -0.00 0.00 0.00 35.03 33.03 1ci5 n LYS 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1ci5 s ASP 33 N -0.46 0.64 0.28 -5.58 1.01 -0.86 -5.15 116.67 106.54 1ci5 s ASP 33 Ca 0.34 -0.76 -0.16 0.00 0.71 0.00 0.00 52.55 52.69 1ci5 s ASP 33 Cb 0.27 0.11 -0.09 0.00 1.01 0.00 0.00 42.92 44.23 1ci5 s ASP 33 CO 0.09 -0.40 0.71 -0.54 0.21 0.00 0.00 175.17 175.24 1ci5 s LYS 34 N -2.69 4.04 -0.02 8.23 1.02 -1.26 0.12 119.74 129.18 1ci5 s LYS 34 Ca -0.02 0.67 -0.02 0.00 0.02 0.00 0.00 55.97 56.62 1ci5 s LYS 34 Cb -0.02 -2.58 -0.01 0.00 -0.52 0.00 0.00 37.83 34.70 1ci5 s LYS 34 CO -0.04 0.24 -0.04 0.28 -0.92 0.00 0.00 175.35 174.87 1ci5 n VAL 35 N -0.03 0.20 -4.03 3.17 0.31 0.51 -4.49 118.33 113.97 1ci5 n VAL 35 Ca 0.01 0.38 -0.08 0.00 -0.01 0.00 0.00 64.34 64.65 1ci5 n VAL 35 Cb 0.52 -1.53 -0.09 0.00 -0.91 0.00 0.00 33.84 31.84 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 -2.82 0.34 -0.17 3.52 0.00 -0.90 -1.23 121.76 120.50 1ci5 s ALA 36 Ca -0.03 -1.08 -0.12 0.00 0.00 0.00 0.00 51.96 50.73 1ci5 s ALA 36 Cb 0.00 0.44 0.05 0.00 0.00 0.00 0.00 23.12 23.61 1ci5 s ALA 36 CO 0.05 -0.44 0.42 -1.83 0.00 0.00 0.00 175.76 173.97 1ci5 s GLU 37 N -3.92 0.45 0.08 0.00 -1.05 -0.80 0.81 118.70 114.26 1ci5 s GLU 37 Ca 0.09 0.68 0.09 0.00 -0.15 0.00 0.00 54.97 55.69 1ci5 s GLU 37 Cb 0.07 0.13 -0.03 0.00 -0.44 0.00 0.00 34.13 33.85 1ci5 s GLU 37 CO -0.08 -0.10 -0.24 -1.17 0.95 0.00 0.00 175.26 174.62 1ci5 s LEU 38 N 0.73 2.38 -0.30 1.83 2.96 0.37 -1.59 118.68 125.06 1ci5 s LEU 38 Ca -0.04 -0.59 -0.03 0.00 -0.22 0.00 0.00 54.13 53.24 1ci5 s LEU 38 Cb -0.05 -1.35 0.19 0.00 0.50 0.00 0.00 46.19 45.47 1ci5 s LEU 38 CO -0.05 0.23 0.77 -1.83 -1.32 0.00 0.00 176.35 174.14 1ci5 s GLU 39 N -1.62 0.41 -0.62 1.98 -1.05 -0.16 -1.71 118.70 115.92 1ci5 s GLU 39 Ca 0.14 0.58 -0.01 0.00 -0.15 0.00 0.00 54.97 55.53 1ci5 s GLU 39 Cb -0.10 0.31 0.00 0.00 -0.44 0.00 0.00 34.13 33.89 1ci5 s GLU 39 CO 0.05 -0.60 0.60 -1.71 0.95 0.00 0.00 175.26 174.55 1ci5 n ASN 40 N 5.38 -7.08 -2.94 0.83 2.85 -0.27 -3.10 115.26 110.94 1ci5 n ASN 40 Ca 0.01 -0.02 -0.15 0.00 -0.11 0.00 0.00 54.58 54.32 1ci5 n ASN 40 Cb 0.54 -4.77 -0.01 0.00 1.24 0.00 0.00 39.78 36.77 1ci5 n ASN 40 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1ci5 n SER 41 N -1.57 -2.74 -3.72 1.20 3.41 -1.26 -4.90 113.62 104.04 1ci5 n SER 41 Ca 0.01 -0.03 -0.28 0.00 -0.26 0.00 0.00 58.87 58.31 1ci5 n SER 41 Cb 0.49 -2.35 -0.16 0.00 -0.26 0.00 0.00 64.21 61.93 1ci5 n SER 41 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ci5 s GLU 42 N -5.53 0.64 -0.03 4.33 0.41 -1.18 -5.13 118.70 112.21 1ci5 s GLU 42 Ca 0.20 -0.61 -0.01 0.00 -0.41 0.00 0.00 54.97 54.15 1ci5 s GLU 42 Cb -0.11 -2.00 -0.04 0.00 -1.78 0.00 0.00 34.13 30.20 1ci5 s GLU 42 CO 0.25 -0.76 0.05 0.12 -0.49 0.00 0.00 175.26 174.42 1ci5 s PHE 43 N 1.81 3.23 -0.29 1.61 5.36 -1.26 -0.99 117.98 127.45 1ci5 s PHE 43 Ca 0.03 0.19 -0.14 0.00 -0.96 0.00 0.00 56.93 56.05 1ci5 s PHE 43 Cb -0.17 -1.74 0.12 0.00 -0.34 0.00 0.00 43.02 40.88 1ci5 s PHE 43 CO -0.15 0.52 0.76 0.50 -1.46 0.00 0.00 175.22 175.39 1ci5 s ARG 44 N -1.48 0.57 0.26 10.12 3.52 -0.62 -5.01 118.95 126.31 1ci5 s ARG 44 Ca 0.20 1.16 0.07 0.00 -0.13 0.00 0.00 55.73 57.02 1ci5 s ARG 44 Cb -0.12 0.40 -0.04 0.00 -1.56 0.00 0.00 34.95 33.63 1ci5 s ARG 44 CO 0.10 -0.15 0.20 0.00 -0.81 0.00 0.00 175.30 174.64 1ci5 s ALA 45 N 2.08 3.60 0.11 6.12 0.00 -1.26 -1.91 121.76 130.49 1ci5 s ALA 45 Ca -0.08 -1.46 0.01 0.00 0.00 0.00 0.00 51.96 50.43 1ci5 s ALA 45 Cb -0.07 -1.25 0.01 0.00 0.00 0.00 0.00 23.12 21.81 1ci5 s ALA 45 CO -0.19 0.22 0.11 1.19 0.00 0.00 0.00 175.76 177.09 1ci5 n PHE 46 N -1.19 -1.90 -2.43 0.00 3.01 -0.37 -4.49 117.46 110.09 1ci5 n PHE 46 Ca -0.07 -0.43 -0.07 0.00 1.01 0.00 0.00 57.45 57.89 1ci5 n PHE 46 Cb 0.58 -0.09 -0.00 0.00 -0.01 0.00 0.00 39.48 39.95 1ci5 n PHE 46 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1ci5 n SER 47 N -2.31 -2.51 -1.62 4.37 3.41 -1.26 0.79 113.62 114.49 1ci5 n SER 47 Ca 0.01 0.33 -0.19 0.00 -0.26 0.00 0.00 58.87 58.76 1ci5 n SER 47 Cb 0.12 -2.22 -0.07 0.00 -0.26 0.00 0.00 64.21 61.78 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 -1.60 -5.02 0.27 4.04 3.41 -1.26 -4.81 113.62 108.65 1ci5 n SER 48 Ca -0.08 0.43 0.16 0.00 -0.26 0.00 0.00 58.87 59.13 1ci5 n SER 48 Cb 0.55 -4.45 0.60 0.00 -0.26 0.00 0.00 64.21 60.64 1ci5 n SER 48 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1ci5 h PHE 49 N 0.00 0.00 -0.63 7.33 -1.00 0.10 -3.33 116.94 119.42 1ci5 h PHE 49 Ca -0.39 0.00 0.06 0.00 2.81 0.00 0.00 57.97 60.45 1ci5 h PHE 49 Cb 1.24 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 40.72 1ci5 h PHE 49 CO 0.54 0.00 -0.39 0.87 -1.61 0.00 0.00 178.31 177.72 1ci5 h LYS 50 N 0.00 -0.03 0.00 1.51 1.57 -1.79 1.05 116.57 118.89 1ci5 h LYS 50 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ci5 h LYS 50 Cb 0.59 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1ci5 h LYS 50 CO 0.00 -0.02 0.00 -1.71 -0.57 0.00 0.00 179.45 177.15 1ci5 n ASN 51 N -4.50 0.45 -0.74 0.86 5.15 -1.25 -1.46 115.26 113.77 1ci5 n ASN 51 Ca 0.01 0.66 0.07 0.00 -0.60 0.00 0.00 54.58 54.72 1ci5 n ASN 51 Cb 0.18 -0.74 0.21 0.00 -0.53 0.00 0.00 39.78 38.90 1ci5 n ASN 51 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1ci5 n ARG 52 N -2.05 2.85 -4.12 1.20 1.74 0.31 -5.00 116.66 111.60 1ci5 n ARG 52 Ca 0.01 -2.51 -0.10 0.00 -0.77 0.00 0.00 57.85 54.48 1ci5 n ARG 52 Cb 0.11 -1.60 -0.10 0.00 -1.02 0.00 0.00 32.46 29.85 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 -2.12 0.49 -0.42 1.55 -7.23 0.19 -0.84 120.40 112.02 1ci5 s VAL 53 Ca 0.34 -1.69 0.04 0.00 -1.81 0.00 0.00 61.98 58.86 1ci5 s VAL 53 Cb 0.25 -1.36 0.17 0.00 0.56 0.00 0.00 36.38 36.00 1ci5 s VAL 53 CO 0.11 -0.81 0.44 -0.47 -0.31 0.00 0.00 175.10 174.06 1ci5 s TYR 54 N -3.20 -0.01 0.16 2.82 6.14 0.19 -4.87 117.35 118.58 1ci5 s TYR 54 Ca 0.05 -1.42 -0.30 0.00 0.64 0.00 0.00 57.07 56.04 1ci5 s TYR 54 Cb 0.03 -0.46 -0.07 0.00 0.42 0.00 0.00 41.96 41.88 1ci5 s TYR 54 CO -0.05 -0.98 1.01 -1.17 0.64 0.00 0.00 175.55 175.00 1ci5 s LEU 55 N 0.71 4.52 0.31 6.97 2.96 -1.26 -1.54 118.68 131.34 1ci5 s LEU 55 Ca 0.27 1.93 -0.28 0.00 -0.22 0.00 0.00 54.13 55.83 1ci5 s LEU 55 Cb -0.04 -3.60 -0.09 0.00 0.50 0.00 0.00 46.19 42.96 1ci5 s LEU 55 CO -0.10 -0.10 1.04 -0.62 -1.32 0.00 0.00 176.35 175.25 1ci5 s ASP 56 N -0.21 7.22 -0.48 3.68 2.15 0.32 -4.95 116.67 124.40 1ci5 s ASP 56 Ca 0.47 2.11 0.02 0.00 0.43 0.00 0.00 52.55 55.58 1ci5 s ASP 56 Cb -0.26 -2.61 0.57 0.00 -0.30 0.00 0.00 42.92 40.32 1ci5 s ASP 56 CO 0.32 -0.16 1.92 0.35 -0.17 0.00 0.00 175.17 177.42 1ci5 n THR 57 N 0.86 3.22 0.03 1.71 -2.24 -1.26 -3.34 114.28 113.26 1ci5 n THR 57 Ca 0.01 -2.10 0.00 0.00 -2.27 0.00 0.00 64.05 59.69 1ci5 n THR 57 Cb 0.47 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1ci5 n THR 57 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ci5 n LYS 58 N -0.97 0.00 -0.12 -0.78 4.01 -1.26 -4.83 118.16 114.21 1ci5 n LYS 58 Ca 0.57 0.00 0.06 0.00 -0.51 0.00 0.00 58.31 58.44 1ci5 n LYS 58 Cb 1.33 -0.18 0.12 0.00 -0.51 0.00 0.00 35.03 35.78 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 -2.93 2.53 0.00 4.39 2.88 -1.26 -2.62 113.62 116.61 1ci5 n SER 59 Ca 0.00 -2.64 0.00 0.00 -1.33 0.00 0.00 58.87 54.90 1ci5 n SER 59 Cb 0.00 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 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 -0.83 0.73 3.54 0.46 0.00 -1.21 -4.41 105.19 103.48 1ci5 n GLY 60 Ca 0.12 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.04 2.51 -4.82 1.61 7.64 -1.26 -4.48 113.62 114.78 1ci5 n SER 61 Ca 0.00 0.60 -0.38 0.00 1.01 0.00 0.00 58.87 60.10 1ci5 n SER 61 Cb 0.02 -1.29 -0.06 0.00 -1.01 0.00 0.00 64.21 61.87 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 6.23 4.49 -0.28 -3.43 2.96 -0.86 0.12 118.68 127.91 1ci5 s LEU 62 Ca 1.04 1.12 0.01 0.00 -0.22 0.00 0.00 54.13 56.08 1ci5 s LEU 62 Cb -0.82 -2.76 0.08 0.00 0.50 0.00 0.00 46.19 43.19 1ci5 s LEU 62 CO 0.51 0.28 0.00 -0.89 -1.32 0.00 0.00 176.35 174.94 1ci5 s THR 63 N -1.00 1.62 0.49 3.68 2.01 -0.59 0.19 115.64 122.03 1ci5 s THR 63 Ca 0.27 -1.58 -0.21 0.00 0.31 0.00 0.00 61.69 60.47 1ci5 s THR 63 Cb -0.18 -2.03 -0.07 0.00 0.01 0.00 0.00 72.50 70.23 1ci5 s THR 63 CO 0.16 -0.36 1.12 -0.63 -0.69 0.00 0.00 174.62 174.22 1ci5 s ILE 64 N 1.30 3.32 -0.02 1.82 -1.09 0.53 -0.64 121.20 126.43 1ci5 s ILE 64 Ca 0.02 0.90 0.05 0.00 -2.23 0.00 0.00 60.65 59.39 1ci5 s ILE 64 Cb -0.19 -3.41 -0.01 0.00 -1.58 0.00 0.00 42.46 37.28 1ci5 s ILE 64 CO -0.11 -0.10 -0.16 -0.31 -1.23 0.00 0.00 174.94 173.02 1ci5 s TYR 65 N -1.72 1.55 -0.29 3.97 2.02 -0.02 -2.43 117.35 120.43 1ci5 s TYR 65 Ca 0.67 -0.35 -0.01 0.00 -0.37 0.00 0.00 57.07 57.01 1ci5 s TYR 65 Cb -0.24 -1.02 0.00 0.00 -0.40 0.00 0.00 41.96 40.31 1ci5 s TYR 65 CO 0.28 -0.08 0.02 -1.71 -1.57 0.00 0.00 175.55 172.50 1ci5 n ASN 66 N 2.86 -7.37 -4.96 2.29 2.85 -0.69 -4.76 115.26 105.48 1ci5 n ASN 66 Ca -0.16 1.43 -0.22 0.00 -0.11 0.00 0.00 54.58 55.51 1ci5 n ASN 66 Cb 0.54 -5.31 -0.01 0.00 1.24 0.00 0.00 39.78 36.24 1ci5 n ASN 66 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1ci5 s LEU 67 N -1.55 4.00 0.00 1.20 1.43 -1.20 -4.82 118.68 117.75 1ci5 s LEU 67 Ca -0.03 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 1ci5 s LEU 67 Cb 0.00 -3.09 0.00 0.00 0.03 0.00 0.00 46.19 43.13 1ci5 s LEU 67 CO 0.78 -0.35 0.00 0.35 0.23 0.00 0.00 176.35 177.36 1ci5 n THR 68 N -1.74 0.00 0.36 5.49 -2.24 -1.26 -2.02 114.28 112.88 1ci5 n THR 68 Ca -0.04 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.88 1ci5 n THR 68 Cb 0.57 0.00 0.39 0.00 -2.10 0.00 0.00 70.33 69.19 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 0.00 0.00 1.32 3.42 0.87 -1.98 -2.89 113.55 114.28 1ci5 h SER 69 Ca 0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 1ci5 h SER 69 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1ci5 h SER 69 CO 0.00 0.00 -0.70 0.28 -0.53 0.00 0.00 176.83 175.88 1ci5 h SER 70 N 0.00 0.00 0.68 6.23 0.02 -2.00 -3.26 113.55 115.23 1ci5 h SER 70 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ci5 h SER 70 Cb 0.73 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.27 1ci5 h SER 70 CO 0.00 0.20 -0.01 0.44 -1.14 0.00 0.00 176.83 176.32 1ci5 h ASP 71 N 0.00 0.00 -0.08 3.07 5.19 -1.90 -3.36 116.42 119.34 1ci5 h ASP 71 Ca -0.03 0.00 -0.58 0.00 -0.62 0.00 0.00 57.03 55.80 1ci5 h ASP 71 Cb 1.18 0.00 0.04 0.00 0.18 0.00 0.00 39.33 40.73 1ci5 h ASP 71 CO 0.02 0.01 1.96 1.21 -3.12 0.00 0.00 179.24 179.32 1ci5 n GLU 72 N -3.12 1.35 -4.14 3.56 2.13 -1.23 -4.73 120.64 114.47 1ci5 n GLU 72 Ca -0.01 -1.87 -0.11 0.00 0.66 0.00 0.00 57.16 55.83 1ci5 n GLU 72 Cb 0.23 -3.03 -0.09 0.00 0.27 0.00 0.00 31.44 28.82 1ci5 n GLU 72 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 1ci5 s ASP 73 N 5.50 0.13 -0.37 4.31 -4.77 -1.04 -4.92 116.67 115.52 1ci5 s ASP 73 Ca 0.61 -1.24 -0.26 0.00 -3.30 0.00 0.00 52.55 48.36 1ci5 s ASP 73 Cb 0.12 0.40 0.02 0.00 -1.09 0.00 0.00 42.92 42.36 1ci5 s ASP 73 CO 0.15 -0.87 0.95 -1.83 0.70 0.00 0.00 175.17 174.27 1ci5 s GLU 74 N -4.10 3.86 0.30 2.11 -1.05 -1.26 -1.69 118.70 116.87 1ci5 s GLU 74 Ca 0.32 0.63 -0.09 0.00 -0.15 0.00 0.00 54.97 55.68 1ci5 s GLU 74 Cb 0.06 -3.80 -0.07 0.00 -0.44 0.00 0.00 34.13 29.88 1ci5 s GLU 74 CO 0.08 -0.96 0.62 0.71 0.95 0.00 0.00 175.26 176.66 1ci5 s TYR 75 N 3.54 3.44 0.09 4.83 1.51 -0.59 -3.80 117.35 126.38 1ci5 s TYR 75 Ca 0.39 0.88 0.05 0.00 -1.01 0.00 0.00 57.07 57.38 1ci5 s TYR 75 Cb -0.12 -2.28 -0.03 0.00 -0.11 0.00 0.00 41.96 39.42 1ci5 s TYR 75 CO 0.19 0.14 -0.13 -1.21 -1.11 0.00 0.00 175.55 173.43 1ci5 s GLU 76 N -3.28 0.89 0.00 -0.62 2.02 -0.22 -0.70 118.70 116.79 1ci5 s GLU 76 Ca 0.48 -1.09 -0.01 0.00 0.02 0.00 0.00 54.97 54.37 1ci5 s GLU 76 Cb -0.11 -0.79 -0.01 0.00 0.10 0.00 0.00 34.13 33.33 1ci5 s GLU 76 CO 0.26 0.16 0.01 0.00 0.02 0.00 0.00 175.26 175.71 1ci5 s MET 77 N -2.25 0.18 0.10 1.61 0.23 0.14 0.12 119.30 119.44 1ci5 s MET 77 Ca 0.03 -0.26 0.06 0.00 -1.03 0.00 0.00 55.69 54.49 1ci5 s MET 77 Cb -0.07 0.07 -0.03 0.00 -1.53 0.00 0.00 34.83 33.27 1ci5 s MET 77 CO 0.02 -0.03 -0.15 -2.00 -2.03 0.00 0.00 175.02 170.83 1ci5 s GLU 78 N -0.70 0.97 -0.21 3.16 2.12 0.28 -1.06 118.70 123.26 1ci5 s GLU 78 Ca -0.08 -1.14 -0.28 0.00 0.36 0.00 0.00 54.97 53.83 1ci5 s GLU 78 Cb -0.05 -0.94 0.14 0.00 0.26 0.00 0.00 34.13 33.54 1ci5 s GLU 78 CO -0.00 0.19 1.07 0.45 -0.54 0.00 0.00 175.26 176.43 1ci5 s SER 79 N -2.17 -0.33 0.10 -1.70 0.15 -1.26 -0.25 113.70 108.24 1ci5 s SER 79 Ca 0.05 0.47 -0.22 0.00 0.70 0.00 0.00 55.95 56.95 1ci5 s SER 79 Cb -0.07 0.41 -0.11 0.00 -1.71 0.00 0.00 66.02 64.54 1ci5 s SER 79 CO 0.03 -0.24 1.74 -0.65 1.20 0.00 0.00 173.24 175.32 1ci5 h PRO 80 N 2.98 0.06 -0.36 5.44 0.11 -1.94 -2.48 132.00 135.81 1ci5 h PRO 80 Ca -0.20 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.84 1ci5 h PRO 80 Cb 1.17 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1ci5 h PRO 80 CO 0.24 0.04 -0.03 -0.91 -0.21 0.00 0.00 178.00 177.13 1ci5 h ASN 81 N 0.06 0.55 -4.07 -2.05 2.35 -1.97 -3.44 115.58 107.00 1ci5 h ASN 81 Ca 0.03 -0.12 -0.54 0.00 -0.55 0.00 0.00 56.30 55.13 1ci5 h ASN 81 Cb 0.02 -0.14 0.19 0.00 0.05 0.00 0.00 38.32 38.43 1ci5 h ASN 81 CO -0.04 0.64 0.22 -0.38 -1.65 0.00 0.00 177.43 176.22 1ci5 n ILE 82 N -4.25 1.82 -0.26 2.81 2.08 -0.93 -4.91 119.36 115.71 1ci5 n ILE 82 Ca 0.02 -0.21 -0.07 0.00 0.56 0.00 0.00 62.75 63.05 1ci5 n ILE 82 Cb 0.28 -1.12 0.05 0.00 -0.75 0.00 0.00 39.64 38.09 1ci5 n ILE 82 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 1ci5 h THR 83 N -0.95 1.25 0.00 1.39 2.02 -1.85 -3.46 112.91 111.31 1ci5 h THR 83 Ca -0.46 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 65.92 1ci5 h THR 83 Cb 1.30 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 1ci5 h THR 83 CO 0.45 0.32 0.00 -0.67 0.37 0.00 0.00 175.52 175.99 1ci5 n ASP 84 N -4.35 0.00 -3.30 4.18 -0.08 -1.26 -5.11 116.55 106.63 1ci5 n ASP 84 Ca 0.06 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.36 1ci5 n ASP 84 Cb 0.19 0.24 -0.03 0.00 2.34 0.00 0.00 41.12 43.85 1ci5 n ASP 84 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1ci5 s SER 85 N 0.39 -0.53 0.45 1.67 1.04 -1.26 -4.16 113.70 111.31 1ci5 s SER 85 Ca 0.00 0.59 -0.09 0.00 0.48 0.00 0.00 55.95 56.94 1ci5 s SER 85 Cb 0.00 1.55 -0.05 0.00 0.10 0.00 0.00 66.02 67.62 1ci5 s SER 85 CO 0.00 -0.10 0.80 -0.04 0.98 0.00 0.00 173.24 174.88 1ci5 s MET 86 N 2.55 3.67 -0.28 4.02 -1.94 -0.22 -4.82 119.30 122.28 1ci5 s MET 86 Ca -0.01 0.39 -0.02 0.00 -1.71 0.00 0.00 55.69 54.35 1ci5 s MET 86 Cb -0.07 -2.35 0.09 0.00 2.01 0.00 0.00 34.83 34.51 1ci5 s MET 86 CO -0.16 -0.15 0.09 0.15 -0.01 0.00 0.00 175.02 174.94 1ci5 s LYS 87 N -4.31 0.58 -0.34 2.03 3.01 -1.26 0.28 119.74 119.73 1ci5 s LYS 87 Ca 0.50 -0.81 -0.14 0.00 -1.01 0.00 0.00 55.97 54.51 1ci5 s LYS 87 Cb -0.10 -1.83 -0.02 0.00 -1.01 0.00 0.00 37.83 34.87 1ci5 s LYS 87 CO 0.39 -0.92 0.31 -0.06 0.51 0.00 0.00 175.35 175.58 1ci5 s PHE 88 N 1.78 3.22 0.25 3.18 0.40 0.12 -3.23 117.98 123.70 1ci5 s PHE 88 Ca 0.07 -0.07 -0.30 0.00 -0.60 0.00 0.00 56.93 56.04 1ci5 s PHE 88 Cb -0.17 -2.59 -0.09 0.00 0.51 0.00 0.00 43.02 40.68 1ci5 s PHE 88 CO -0.24 -0.39 1.10 0.12 0.70 0.00 0.00 175.22 176.51 1ci5 s PHE 89 N 1.91 3.58 -0.11 0.36 2.19 0.13 -1.54 117.98 124.50 1ci5 s PHE 89 Ca 0.10 1.67 0.02 0.00 0.33 0.00 0.00 56.93 59.05 1ci5 s PHE 89 Cb -0.17 -3.28 -0.01 0.00 -1.31 0.00 0.00 43.02 38.25 1ci5 s PHE 89 CO 0.11 -0.57 -0.19 -1.17 1.83 0.00 0.00 175.22 175.23 1ci5 s LEU 90 N -1.17 2.38 -0.18 6.12 2.96 -0.68 0.13 118.68 128.24 1ci5 s LEU 90 Ca 0.46 -0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 53.92 1ci5 s LEU 90 Cb -0.31 -1.50 0.00 0.00 0.50 0.00 0.00 46.19 44.88 1ci5 s LEU 90 CO 0.39 0.17 -0.14 -0.31 -1.32 0.00 0.00 176.35 175.15 1ci5 s TYR 91 N 0.29 2.83 -0.17 5.38 2.02 -0.65 -2.51 117.35 124.54 1ci5 s TYR 91 Ca -0.14 -1.16 -0.16 0.00 -0.37 0.00 0.00 57.07 55.24 1ci5 s TYR 91 Cb -0.17 -1.95 -0.04 0.00 -0.40 0.00 0.00 41.96 39.40 1ci5 s TYR 91 CO 0.07 -0.57 0.38 0.08 -1.57 0.00 0.00 175.55 173.94 1ci5 s VAL 92 N 1.10 5.23 0.43 0.71 1.01 -1.26 0.71 120.40 128.33 1ci5 s VAL 92 Ca 0.00 0.70 0.03 0.00 0.00 0.00 0.00 61.98 62.71 1ci5 s VAL 92 Cb -0.14 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1ci5 s VAL 92 CO -0.04 0.31 0.06 -0.83 0.00 0.00 0.00 175.10 174.59 1ci5 s GLY 93 N 0.80 2.65 -0.06 4.51 0.00 0.15 -4.91 107.32 110.46 1ci5 s GLY 93 Ca 0.19 -1.22 -0.06 0.00 0.00 0.00 0.00 44.72 43.64 1ci5 s GLY 93 CO 0.07 -1.99 0.60 0.83 0.00 0.00 0.00 173.10 172.61 1ci5 h GLU 94 N 1.69 0.29 0.00 2.90 3.07 -1.95 0.51 114.58 121.09 1ci5 h GLU 94 Ca -0.40 -0.50 0.00 0.00 -0.50 0.00 0.00 59.36 57.96 1ci5 h GLU 94 Cb 1.28 0.19 0.00 0.00 -0.84 0.00 0.00 28.75 29.37 1ci5 h GLU 94 CO 0.68 1.18 0.00 0.45 -1.40 0.00 0.00 179.01 179.92