#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ci5 n SER 2 N 0.00 -1.17 -3.83 -3.46 3.41 -1.26 -4.91 113.62 102.40 1ci5 n SER 2 Ca 0.00 0.02 -0.16 0.00 -0.26 0.00 0.00 58.87 58.47 1ci5 n SER 2 Cb 0.00 -1.31 -0.16 0.00 -0.26 0.00 0.00 64.21 62.48 1ci5 n SER 2 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1ci5 s GLN 3 N -4.41 0.25 0.18 4.33 0.74 -1.24 -5.01 119.66 114.50 1ci5 s GLN 3 Ca 0.67 0.05 -0.17 0.00 0.05 0.00 0.00 55.36 55.97 1ci5 s GLN 3 Cb -0.24 -0.40 -0.07 0.00 1.10 0.00 0.00 33.01 33.40 1ci5 s GLN 3 CO 0.63 -0.10 0.63 -0.65 -0.55 0.00 0.00 175.29 175.25 1ci5 s GLN 4 N 0.79 4.11 -0.08 1.67 -1.52 -1.26 -0.50 119.66 122.87 1ci5 s GLN 4 Ca -0.08 0.67 0.00 0.00 -1.95 0.00 0.00 55.36 54.01 1ci5 s GLN 4 Cb -0.11 -2.93 0.02 0.00 -0.22 0.00 0.00 33.01 29.78 1ci5 s GLN 4 CO -0.01 0.45 -0.06 0.42 -0.25 0.00 0.00 175.29 175.84 1ci5 s ILE 5 N -1.47 0.79 -0.02 1.08 -1.09 0.34 -4.88 121.20 115.95 1ci5 s ILE 5 Ca 0.39 -0.19 -0.26 0.00 -2.23 0.00 0.00 60.65 58.37 1ci5 s ILE 5 Cb -0.16 -0.83 -0.04 0.00 -1.58 0.00 0.00 42.46 39.85 1ci5 s ILE 5 CO 0.20 0.31 0.80 -0.31 -1.23 0.00 0.00 174.94 174.71 1ci5 s TYR 6 N 1.45 3.63 0.36 3.97 2.02 -1.26 -1.13 117.35 126.40 1ci5 s TYR 6 Ca -0.01 1.43 0.04 0.00 -0.37 0.00 0.00 57.07 58.15 1ci5 s TYR 6 Cb -0.13 -2.90 -0.03 0.00 -0.40 0.00 0.00 41.96 38.49 1ci5 s TYR 6 CO -0.04 0.10 0.14 0.20 -1.57 0.00 0.00 175.55 174.37 1ci5 s GLY 7 N 0.69 2.33 -0.10 0.71 0.00 0.30 -4.89 107.32 106.36 1ci5 s GLY 7 Ca 0.42 -1.57 -0.09 0.00 0.00 0.00 0.00 44.72 43.48 1ci5 s GLY 7 CO 0.22 -1.73 0.26 -1.34 0.00 0.00 0.00 173.10 170.52 1ci5 s VAL 8 N -3.37 -0.00 0.28 1.40 -7.23 -1.26 -0.62 120.40 109.59 1ci5 s VAL 8 Ca 0.30 0.01 -0.28 0.00 -1.81 0.00 0.00 61.98 60.21 1ci5 s VAL 8 Cb 0.04 -0.38 -0.14 0.00 0.56 0.00 0.00 36.38 36.46 1ci5 s VAL 8 CO 0.16 0.01 0.91 0.29 -0.31 0.00 0.00 175.10 176.16 1ci5 n LYS 9 N 3.07 1.10 -1.59 4.82 4.76 0.47 -0.06 118.16 130.73 1ci5 n LYS 9 Ca -0.14 0.38 -0.19 0.00 -2.87 0.00 0.00 58.31 55.49 1ci5 n LYS 9 Cb 0.58 -1.69 -0.08 0.00 -1.84 0.00 0.00 35.03 31.99 1ci5 n LYS 9 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1ci5 n TYR 10 N 0.12 -0.04 -4.36 2.13 4.01 -0.51 -4.79 117.16 113.73 1ci5 n TYR 10 Ca 0.11 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.69 1ci5 n TYR 10 Cb 0.31 -3.26 -0.03 0.00 -0.31 0.00 0.00 39.34 36.05 1ci5 n TYR 10 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ci5 n GLY 11 N -0.63 3.86 3.52 2.72 0.00 0.91 -4.73 105.19 110.84 1ci5 n GLY 11 Ca -0.19 -2.26 -0.25 0.00 0.00 0.00 0.00 46.02 43.32 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 -2.35 3.53 0.00 1.61 2.20 -1.26 -0.97 114.94 117.71 1ci5 s ASN 12 Ca 0.01 -1.19 -0.29 0.00 -0.94 0.00 0.00 52.86 50.45 1ci5 s ASN 12 Cb 0.00 -0.31 0.07 0.00 -2.00 0.00 0.00 41.25 39.01 1ci5 s ASN 12 CO 0.01 -0.22 0.66 -0.69 -2.94 0.00 0.00 177.10 173.92 1ci5 s VAL 13 N -2.69 0.00 0.02 3.54 1.01 -0.97 -4.69 120.40 116.63 1ci5 s VAL 13 Ca 0.32 0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.36 1ci5 s VAL 13 Cb 0.02 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 1ci5 s VAL 13 CO 0.16 0.00 -0.19 -0.89 0.00 0.00 0.00 175.10 174.17 1ci5 s THR 14 N -1.87 1.53 -0.49 3.92 2.01 -1.26 -0.24 115.64 119.24 1ci5 s THR 14 Ca -0.08 -1.04 -0.05 0.00 0.31 0.00 0.00 61.69 60.84 1ci5 s THR 14 Cb -0.00 -1.32 0.13 0.00 0.01 0.00 0.00 72.50 71.32 1ci5 s THR 14 CO 0.04 0.25 0.32 -0.36 -0.69 0.00 0.00 174.62 174.18 1ci5 s PHE 15 N -0.68 3.51 0.52 4.92 0.08 0.47 -4.96 117.98 121.83 1ci5 s PHE 15 Ca 0.07 -2.33 -0.23 0.00 0.12 0.00 0.00 56.93 54.56 1ci5 s PHE 15 Cb -0.08 -3.31 -0.06 0.00 -0.57 0.00 0.00 43.02 39.00 1ci5 s PHE 15 CO 0.01 -0.95 1.34 -1.01 -0.10 0.00 0.00 175.22 174.51 1ci5 s HIS 16 N 0.87 2.40 -0.22 0.36 3.76 -1.26 -2.32 115.29 118.88 1ci5 s HIS 16 Ca 0.10 1.38 -0.00 0.00 -0.15 0.00 0.00 55.06 56.38 1ci5 s HIS 16 Cb -0.23 -3.76 0.06 0.00 1.11 0.00 0.00 32.58 29.76 1ci5 s HIS 16 CO -0.03 -2.71 -0.03 0.08 -0.85 0.00 0.00 174.74 171.21 1ci5 s VAL 17 N -1.32 1.19 -1.07 -0.90 1.01 -1.26 -4.94 120.40 113.10 1ci5 s VAL 17 Ca 0.68 -0.98 -0.26 0.00 0.00 0.00 0.00 61.98 61.43 1ci5 s VAL 17 Cb -0.39 -1.52 -0.21 0.00 0.00 0.00 0.00 36.38 34.25 1ci5 s VAL 17 CO 0.47 -0.12 2.07 -2.65 0.00 0.00 0.00 175.10 174.87 1ci5 n PRO 18 N 4.80 0.39 -3.12 2.72 -0.02 -1.26 -4.68 135.00 133.84 1ci5 n PRO 18 Ca -0.11 -1.84 -0.18 0.00 -2.02 0.00 0.00 63.50 59.35 1ci5 n PRO 18 Cb 0.45 -3.86 -0.05 0.00 -0.02 0.00 0.00 33.50 30.02 1ci5 n PRO 18 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ci5 n SER 19 N 18.60 -1.45 -0.29 2.55 2.88 -1.26 -4.98 113.62 129.67 1ci5 n SER 19 Ca 0.42 -2.67 0.27 0.00 -1.33 0.00 0.00 58.87 55.55 1ci5 n SER 19 Cb 0.47 0.32 0.61 0.00 -0.75 0.00 0.00 64.21 64.85 1ci5 n SER 19 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1ci5 h ASN 20 N 5.01 0.25 -3.71 -3.46 -0.00 -1.94 -3.41 115.58 108.32 1ci5 h ASN 20 Ca 0.13 0.04 -0.51 0.00 -0.00 0.00 0.00 56.30 55.97 1ci5 h ASN 20 Cb 0.97 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 39.30 1ci5 h ASN 20 CO 0.28 0.06 0.47 -1.58 -0.00 0.00 0.00 177.43 176.66 1ci5 s GLN 21 N -5.25 4.63 0.16 6.67 0.74 -1.26 -4.96 119.66 120.39 1ci5 s GLN 21 Ca -0.07 1.76 -0.34 0.00 0.05 0.00 0.00 55.36 56.76 1ci5 s GLN 21 Cb 0.24 -3.23 -0.14 0.00 1.10 0.00 0.00 33.01 30.98 1ci5 s GLN 21 CO 0.79 0.17 1.50 -2.30 -0.55 0.00 0.00 175.29 174.91 1ci5 n PRO 22 N 1.67 1.94 -3.43 1.67 -0.02 -1.26 -4.74 135.00 130.82 1ci5 n PRO 22 Ca 0.00 0.70 -0.41 0.00 -2.02 0.00 0.00 63.50 61.77 1ci5 n PRO 22 Cb 0.45 -2.42 -0.10 0.00 -0.02 0.00 0.00 33.50 31.42 1ci5 n PRO 22 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ci5 s LEU 23 N 0.71 4.47 0.03 2.45 1.43 1.00 -4.93 118.68 123.83 1ci5 s LEU 23 Ca 0.78 -0.29 0.07 0.00 -1.03 0.00 0.00 54.13 53.66 1ci5 s LEU 23 Cb -0.73 -2.29 -0.23 0.00 0.03 0.00 0.00 46.19 42.98 1ci5 s LEU 23 CO 0.41 -0.31 0.95 0.50 0.23 0.00 0.00 176.35 178.13 1ci5 h LYS 24 N 8.47 0.05 -4.18 1.70 3.64 -1.92 -3.42 116.57 120.91 1ci5 h LYS 24 Ca -0.30 -0.08 -0.46 0.00 -1.27 0.00 0.00 60.65 58.54 1ci5 h LYS 24 Cb 1.15 0.03 -0.35 0.00 -0.41 0.00 0.00 32.23 32.65 1ci5 h LYS 24 CO 0.68 0.83 -0.79 -2.00 -2.27 0.00 0.00 179.45 175.90 1ci5 s GLU 25 N -2.65 1.17 -0.09 1.90 2.12 -1.26 -3.25 118.70 116.65 1ci5 s GLU 25 Ca -0.03 -0.20 -0.04 0.00 0.36 0.00 0.00 54.97 55.06 1ci5 s GLU 25 Cb 0.09 -1.12 0.05 0.00 0.26 0.00 0.00 34.13 33.40 1ci5 s GLU 25 CO 0.83 -0.09 0.18 0.54 -0.54 0.00 0.00 175.26 176.17 1ci5 s VAL 26 N 1.04 -0.18 -0.23 3.70 0.11 -0.89 -4.03 120.40 119.92 1ci5 s VAL 26 Ca -0.09 0.26 -0.01 0.00 -2.93 0.00 0.00 61.98 59.21 1ci5 s VAL 26 Cb -0.14 -0.30 0.02 0.00 -1.53 0.00 0.00 36.38 34.42 1ci5 s VAL 26 CO -0.00 0.11 -0.09 -0.22 -3.33 0.00 0.00 175.10 171.57 1ci5 s LEU 27 N 1.80 2.93 -0.17 2.54 2.96 0.09 0.11 118.68 128.94 1ci5 s LEU 27 Ca -0.03 -0.76 -0.07 0.00 -0.22 0.00 0.00 54.13 53.05 1ci5 s LEU 27 Cb -0.12 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 1ci5 s LEU 27 CO -0.06 -0.08 0.07 0.26 -1.32 0.00 0.00 176.35 175.21 1ci5 s TRP 28 N 1.33 3.30 0.20 5.38 0.52 0.30 0.13 118.94 130.10 1ci5 s TRP 28 Ca 0.02 0.16 0.09 0.00 0.02 0.00 0.00 56.10 56.39 1ci5 s TRP 28 Cb -0.16 -2.05 -0.04 0.00 -1.15 0.00 0.00 33.47 30.07 1ci5 s TRP 28 CO -0.06 0.26 -0.18 0.15 0.02 0.00 0.00 176.95 177.14 1ci5 s LYS 29 N 0.10 1.39 -0.24 4.98 -0.14 0.30 0.48 119.74 126.61 1ci5 s LYS 29 Ca 0.06 -1.52 -0.04 0.00 -1.36 0.00 0.00 55.97 53.10 1ci5 s LYS 29 Cb -0.12 -1.42 0.09 0.00 -1.68 0.00 0.00 37.83 34.69 1ci5 s LYS 29 CO 0.00 0.28 0.14 0.21 -0.76 0.00 0.00 175.35 175.22 1ci5 s LYS 30 N -3.08 0.15 6.52 1.68 2.20 -0.05 0.99 119.74 128.15 1ci5 s LYS 30 Ca 0.20 -0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.56 1ci5 s LYS 30 Cb -0.05 -1.38 0.00 0.00 -1.51 0.00 0.00 37.83 34.89 1ci5 s LYS 30 CO 0.08 -0.85 0.00 0.94 -0.36 0.00 0.00 175.35 175.16 1ci5 n GLN 31 N 5.27 0.00 -0.71 4.03 7.27 -1.22 -2.17 117.38 129.85 1ci5 n GLN 31 Ca -0.06 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 56.96 1ci5 n GLN 31 Cb 0.46 0.00 0.21 0.00 2.41 0.00 0.00 30.24 33.31 1ci5 n GLN 31 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1ci5 n LYS 32 N 13.24 2.84 -4.24 3.69 4.76 -1.26 -4.90 118.16 132.28 1ci5 n LYS 32 Ca 0.00 -2.09 -0.13 0.00 -2.87 0.00 0.00 58.31 53.22 1ci5 n LYS 32 Cb 0.00 -1.92 -0.10 0.00 -1.84 0.00 0.00 35.03 31.17 1ci5 n LYS 32 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ci5 s ASP 33 N -0.54 1.28 0.09 4.39 1.11 -0.92 -5.16 116.67 116.93 1ci5 s ASP 33 Ca 0.38 -1.14 -0.07 0.00 0.18 0.00 0.00 52.55 51.89 1ci5 s ASP 33 Cb 0.30 0.10 -0.06 0.00 1.07 0.00 0.00 42.92 44.34 1ci5 s ASP 33 CO 0.09 -0.54 0.37 -0.54 1.18 0.00 0.00 175.17 175.74 1ci5 s LYS 34 N -3.89 3.68 -0.04 8.23 1.02 -1.26 -0.87 119.74 126.61 1ci5 s LYS 34 Ca 0.22 0.04 -0.04 0.00 0.02 0.00 0.00 55.97 56.21 1ci5 s LYS 34 Cb 0.06 -2.95 -0.01 0.00 -0.52 0.00 0.00 37.83 34.40 1ci5 s LYS 34 CO 0.03 0.54 -0.08 0.28 -0.92 0.00 0.00 175.35 175.19 1ci5 n VAL 35 N 0.63 0.43 -3.96 3.17 0.31 0.18 -4.41 118.33 114.68 1ci5 n VAL 35 Ca -0.06 0.34 -0.08 0.00 -0.01 0.00 0.00 64.34 64.52 1ci5 n VAL 35 Cb 0.52 -1.64 -0.08 0.00 -0.91 0.00 0.00 33.84 31.73 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 -2.79 0.10 -0.20 3.52 0.00 -0.50 -1.51 121.76 120.38 1ci5 s ALA 36 Ca -0.07 -0.88 -0.06 0.00 0.00 0.00 0.00 51.96 50.94 1ci5 s ALA 36 Cb 0.01 0.49 0.09 0.00 0.00 0.00 0.00 23.12 23.71 1ci5 s ALA 36 CO 0.10 -0.48 0.40 -2.00 0.00 0.00 0.00 175.76 173.78 1ci5 s GLU 37 N -3.90 0.30 -0.08 0.00 2.12 -0.26 0.11 118.70 116.99 1ci5 s GLU 37 Ca 0.08 0.95 -0.04 0.00 0.36 0.00 0.00 54.97 56.32 1ci5 s GLU 37 Cb 0.06 0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.62 1ci5 s GLU 37 CO -0.09 -0.30 0.11 -1.17 -0.54 0.00 0.00 175.26 173.28 1ci5 s LEU 38 N 2.58 4.16 -0.30 2.70 2.96 0.30 -2.47 118.68 128.61 1ci5 s LEU 38 Ca 0.00 0.34 -0.08 0.00 -0.22 0.00 0.00 54.13 54.17 1ci5 s LEU 38 Cb -0.12 -2.14 0.16 0.00 0.50 0.00 0.00 46.19 44.59 1ci5 s LEU 38 CO -0.13 0.36 0.75 -0.70 -1.32 0.00 0.00 176.35 175.31 1ci5 s GLU 39 N -1.25 0.47 -1.10 1.98 -6.30 -0.27 -2.10 118.70 110.12 1ci5 s GLU 39 Ca 0.18 1.01 -0.11 0.00 -2.50 0.00 0.00 54.97 53.55 1ci5 s GLU 39 Cb -0.12 0.59 -0.04 0.00 0.00 0.00 0.00 34.13 34.56 1ci5 s GLU 39 CO 0.08 -0.34 0.86 0.09 0.02 0.00 0.00 175.26 175.97 1ci5 n ASN 40 N 5.36 -5.67 -1.99 -1.70 5.03 -1.20 -1.62 115.26 113.47 1ci5 n ASN 40 Ca -0.07 -0.82 -0.18 0.00 0.87 0.00 0.00 54.58 54.38 1ci5 n ASN 40 Cb 0.51 -4.48 -0.04 0.00 -1.02 0.00 0.00 39.78 34.75 1ci5 n ASN 40 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1ci5 n SER 41 N -3.01 -4.99 -4.05 6.41 3.41 -1.26 -4.93 113.62 105.20 1ci5 n SER 41 Ca -0.10 0.24 -0.32 0.00 -0.26 0.00 0.00 58.87 58.43 1ci5 n SER 41 Cb 0.61 -4.31 -0.14 0.00 -0.26 0.00 0.00 64.21 60.11 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 -4.32 1.65 -0.29 4.33 2.12 -0.64 -5.08 118.70 116.47 1ci5 s GLU 42 Ca 0.00 -1.82 -0.11 0.00 0.36 0.00 0.00 54.97 53.41 1ci5 s GLU 42 Cb 0.00 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 31.10 1ci5 s GLU 42 CO 0.00 -0.93 0.18 0.12 -0.54 0.00 0.00 175.26 174.09 1ci5 s PHE 43 N 0.97 3.20 -0.06 5.30 5.36 -1.26 -1.12 117.98 130.36 1ci5 s PHE 43 Ca 0.09 -0.11 -0.04 0.00 -0.96 0.00 0.00 56.93 55.91 1ci5 s PHE 43 Cb -0.20 -2.38 0.03 0.00 -0.34 0.00 0.00 43.02 40.13 1ci5 s PHE 43 CO -0.07 -0.26 0.15 1.03 -1.46 0.00 0.00 175.22 174.61 1ci5 s ARG 44 N 1.71 0.14 0.26 10.12 0.52 -1.03 -5.01 118.95 125.67 1ci5 s ARG 44 Ca 0.06 0.29 0.09 0.00 -0.52 0.00 0.00 55.73 55.65 1ci5 s ARG 44 Cb -0.16 -0.04 -0.04 0.00 0.52 0.00 0.00 34.95 35.23 1ci5 s ARG 44 CO 0.09 -0.09 0.06 0.00 0.02 0.00 0.00 175.30 175.39 1ci5 s ALA 45 N 0.60 3.31 0.31 2.13 0.00 -1.26 -1.10 121.76 125.75 1ci5 s ALA 45 Ca -0.04 -1.58 0.04 0.00 0.00 0.00 0.00 51.96 50.37 1ci5 s ALA 45 Cb -0.06 -0.94 0.04 0.00 0.00 0.00 0.00 23.12 22.16 1ci5 s ALA 45 CO -0.03 0.25 0.33 1.19 0.00 0.00 0.00 175.76 177.51 1ci5 n PHE 46 N -1.00 -1.79 -2.38 0.00 3.72 -0.57 -4.37 117.46 111.08 1ci5 n PHE 46 Ca -0.07 -1.22 -0.07 0.00 -0.05 0.00 0.00 57.45 56.04 1ci5 n PHE 46 Cb 0.59 -0.27 -0.01 0.00 -0.94 0.00 0.00 39.48 38.85 1ci5 n PHE 46 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ci5 n SER 47 N -2.27 -2.59 -1.44 4.37 2.88 -1.26 0.10 113.62 113.41 1ci5 n SER 47 Ca 0.04 0.32 -0.19 0.00 -1.33 0.00 0.00 58.87 57.71 1ci5 n SER 47 Cb 0.34 -2.29 -0.08 0.00 -0.75 0.00 0.00 64.21 61.43 1ci5 n SER 47 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ci5 n SER 48 N -1.54 -5.43 0.20 -3.46 3.41 -1.26 -4.83 113.62 100.71 1ci5 n SER 48 Ca -0.08 0.47 0.07 0.00 -0.26 0.00 0.00 58.87 59.07 1ci5 n SER 48 Cb 0.54 -4.59 0.42 0.00 -0.26 0.00 0.00 64.21 60.31 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 -1.03 7.33 3.04 0.43 -3.09 116.94 123.62 1ci5 h PHE 49 Ca -0.39 0.00 0.26 0.00 3.98 0.00 0.00 57.97 61.83 1ci5 h PHE 49 Cb 1.28 0.00 -0.08 0.00 2.56 0.00 0.00 35.95 39.71 1ci5 h PHE 49 CO 0.56 0.31 0.68 1.57 -2.02 0.00 0.00 178.31 179.41 1ci5 h LYS 50 N 0.00 0.31 -0.00 1.11 2.10 -1.76 1.21 116.57 119.54 1ci5 h LYS 50 Ca -0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1ci5 h LYS 50 Cb 0.77 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 1ci5 h LYS 50 CO 0.04 0.21 -0.01 -1.71 -2.00 0.00 0.00 179.45 175.98 1ci5 n ASN 51 N -4.53 0.13 -0.60 7.07 5.15 -1.17 -3.44 115.26 117.87 1ci5 n ASN 51 Ca 0.24 -0.87 0.01 0.00 -0.60 0.00 0.00 54.58 53.36 1ci5 n ASN 51 Cb 0.90 -0.05 0.01 0.00 -0.53 0.00 0.00 39.78 40.11 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 -0.96 0.09 -4.11 1.20 1.74 0.38 -5.00 116.66 110.00 1ci5 n ARG 52 Ca 0.22 -1.24 -0.11 0.00 -0.77 0.00 0.00 57.85 55.95 1ci5 n ARG 52 Cb 0.16 -0.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.99 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 -0.19 0.56 -0.36 1.55 -7.23 0.96 0.94 120.40 116.63 1ci5 s VAL 53 Ca 0.06 -1.55 0.02 0.00 -1.81 0.00 0.00 61.98 58.70 1ci5 s VAL 53 Cb 0.07 -1.19 0.15 0.00 0.56 0.00 0.00 36.38 35.97 1ci5 s VAL 53 CO -0.02 -0.68 0.31 -0.47 -0.31 0.00 0.00 175.10 173.93 1ci5 s TYR 54 N -2.70 0.08 -0.07 2.82 5.04 0.36 -4.85 117.35 118.03 1ci5 s TYR 54 Ca 0.02 -1.10 -0.26 0.00 -2.44 0.00 0.00 57.07 53.29 1ci5 s TYR 54 Cb -0.01 -0.60 -0.03 0.00 0.35 0.00 0.00 41.96 41.67 1ci5 s TYR 54 CO -0.03 -0.92 0.81 -1.17 -1.34 0.00 0.00 175.55 172.91 1ci5 s LEU 55 N 1.33 4.30 0.10 6.97 2.96 -1.26 0.03 118.68 133.10 1ci5 s LEU 55 Ca 0.17 1.33 -0.30 0.00 -0.22 0.00 0.00 54.13 55.11 1ci5 s LEU 55 Cb -0.18 -3.26 -0.06 0.00 0.50 0.00 0.00 46.19 43.19 1ci5 s LEU 55 CO -0.03 -0.22 1.08 -0.62 -1.32 0.00 0.00 176.35 175.24 1ci5 s ASP 56 N 0.94 7.27 -0.81 3.68 2.15 0.26 -4.94 116.67 125.21 1ci5 s ASP 56 Ca 0.42 1.93 -0.05 0.00 0.43 0.00 0.00 52.55 55.29 1ci5 s ASP 56 Cb -0.18 -2.59 0.07 0.00 -0.30 0.00 0.00 42.92 39.92 1ci5 s ASP 56 CO 0.20 -0.28 2.64 0.35 -0.17 0.00 0.00 175.17 177.91 1ci5 n THR 57 N 3.23 4.13 0.00 1.71 -2.24 -1.26 -3.21 114.28 116.63 1ci5 n THR 57 Ca 0.05 -3.51 0.00 0.00 -2.27 0.00 0.00 64.05 58.33 1ci5 n THR 57 Cb 0.48 -1.81 0.00 0.00 -2.10 0.00 0.00 70.33 66.89 1ci5 n THR 57 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ci5 n LYS 58 N 1.30 0.00 -0.09 -0.78 3.00 -1.26 -4.88 118.16 115.45 1ci5 n LYS 58 Ca 0.55 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.93 1ci5 n LYS 58 Cb 0.43 0.00 0.12 0.00 0.00 0.00 0.00 35.03 35.58 1ci5 n LYS 58 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1ci5 n SER 59 N -2.40 2.64 0.00 3.14 2.88 -1.26 -0.00 113.62 118.62 1ci5 n SER 59 Ca 0.00 -1.77 0.00 0.00 -1.33 0.00 0.00 58.87 55.77 1ci5 n SER 59 Cb 0.00 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 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 0.88 1.33 3.68 0.46 0.00 -1.20 -4.55 105.19 105.79 1ci5 n GLY 60 Ca 0.12 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.57 1ci5 n GLY 60 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ci5 n SER 61 N 0.00 2.11 -4.77 1.61 3.41 -1.26 -4.52 113.62 110.19 1ci5 n SER 61 Ca 0.00 1.09 -0.36 0.00 -0.26 0.00 0.00 58.87 59.34 1ci5 n SER 61 Cb 0.00 -1.14 -0.08 0.00 -0.26 0.00 0.00 64.21 62.73 1ci5 n SER 61 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ci5 s LEU 62 N 2.62 4.12 -0.28 1.04 2.96 -0.98 0.91 118.68 129.08 1ci5 s LEU 62 Ca 0.95 0.30 0.01 0.00 -0.22 0.00 0.00 54.13 55.17 1ci5 s LEU 62 Cb -1.05 -2.02 0.08 0.00 0.50 0.00 0.00 46.19 43.70 1ci5 s LEU 62 CO 0.61 0.31 0.00 -0.89 -1.32 0.00 0.00 176.35 175.06 1ci5 s THR 63 N -0.46 1.59 0.59 3.68 2.01 0.10 0.18 115.64 123.33 1ci5 s THR 63 Ca 0.11 -1.54 -0.15 0.00 0.31 0.00 0.00 61.69 60.42 1ci5 s THR 63 Cb -0.12 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 1ci5 s THR 63 CO 0.02 -0.34 1.03 -0.63 -0.69 0.00 0.00 174.62 174.01 1ci5 s ILE 64 N 1.31 4.17 0.02 1.82 1.01 0.67 0.14 121.20 130.35 1ci5 s ILE 64 Ca 0.01 0.94 0.05 0.00 0.00 0.00 0.00 60.65 61.65 1ci5 s ILE 64 Cb -0.19 -3.54 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 1ci5 s ILE 64 CO -0.11 -0.69 -0.14 -0.31 0.00 0.00 0.00 174.94 173.69 1ci5 s TYR 65 N -2.68 1.27 -0.17 3.97 1.51 0.27 -2.28 117.35 119.23 1ci5 s TYR 65 Ca 0.60 -0.32 -0.05 0.00 -1.01 0.00 0.00 57.07 56.29 1ci5 s TYR 65 Cb -0.13 -0.77 0.02 0.00 -0.11 0.00 0.00 41.96 40.97 1ci5 s TYR 65 CO 0.40 0.02 0.10 0.09 -1.11 0.00 0.00 175.55 175.06 1ci5 n ASN 66 N 2.14 -4.65 -4.97 2.29 3.02 -0.14 -4.71 115.26 108.25 1ci5 n ASN 66 Ca -0.17 1.20 -0.21 0.00 -0.03 0.00 0.00 54.58 55.38 1ci5 n ASN 66 Cb 0.55 -4.26 -0.02 0.00 -0.61 0.00 0.00 39.78 35.43 1ci5 n ASN 66 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ci5 s LEU 67 N -0.91 4.30 0.00 3.41 1.43 -1.14 -4.80 118.68 120.98 1ci5 s LEU 67 Ca -0.12 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 1ci5 s LEU 67 Cb 0.01 -2.87 0.00 0.00 0.03 0.00 0.00 46.19 43.36 1ci5 s LEU 67 CO 0.57 -0.08 0.00 0.35 0.23 0.00 0.00 176.35 177.42 1ci5 n THR 68 N -1.43 0.00 0.29 5.49 -2.24 -1.26 -1.43 114.28 113.71 1ci5 n THR 68 Ca -0.09 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.83 1ci5 n THR 68 Cb 0.57 0.00 0.38 0.00 -2.10 0.00 0.00 70.33 69.18 1ci5 n THR 68 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1ci5 h SER 69 N 0.00 0.00 1.38 3.42 0.02 -1.99 -2.91 113.55 113.48 1ci5 h SER 69 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1ci5 h SER 69 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1ci5 h SER 69 CO 0.00 0.00 -0.64 0.28 -1.14 0.00 0.00 176.83 175.33 1ci5 h SER 70 N 0.00 0.00 0.62 3.07 0.02 -2.00 -3.24 113.55 112.02 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 0.78 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.32 1ci5 h SER 70 CO 0.00 0.26 -0.00 0.44 -1.14 0.00 0.00 176.83 176.39 1ci5 h ASP 71 N 0.00 0.00 -0.05 3.07 5.19 -1.90 -3.36 116.42 119.37 1ci5 h ASP 71 Ca -0.03 0.00 -0.61 0.00 -0.62 0.00 0.00 57.03 55.77 1ci5 h ASP 71 Cb 1.23 0.00 0.05 0.00 0.18 0.00 0.00 39.33 40.79 1ci5 h ASP 71 CO 0.03 0.00 2.06 1.21 -3.12 0.00 0.00 179.24 179.42 1ci5 n GLU 72 N -3.09 1.35 -4.06 3.56 0.00 -1.23 -4.73 120.64 112.44 1ci5 n GLU 72 Ca -0.01 -1.82 -0.10 0.00 0.00 0.00 0.00 57.16 55.23 1ci5 n GLU 72 Cb 0.21 -2.97 -0.09 0.00 0.00 0.00 0.00 31.44 28.60 1ci5 n GLU 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1ci5 s ASP 73 N 5.38 0.18 -0.10 4.31 1.01 -1.14 -4.92 116.67 121.40 1ci5 s ASP 73 Ca 0.60 -1.05 -0.20 0.00 0.71 0.00 0.00 52.55 52.60 1ci5 s ASP 73 Cb 0.13 0.36 -0.04 0.00 1.01 0.00 0.00 42.92 44.38 1ci5 s ASP 73 CO 0.14 -0.80 0.57 -1.83 0.21 0.00 0.00 175.17 173.46 1ci5 s GLU 74 N -4.01 4.37 -0.02 8.23 -1.05 -1.26 -1.88 118.70 123.08 1ci5 s GLU 74 Ca 0.21 0.63 -0.03 0.00 -0.15 0.00 0.00 54.97 55.63 1ci5 s GLU 74 Cb 0.06 -3.45 -0.04 0.00 -0.44 0.00 0.00 34.13 30.26 1ci5 s GLU 74 CO 0.01 0.10 0.16 0.71 0.95 0.00 0.00 175.26 177.20 1ci5 s TYR 75 N 0.75 3.52 -0.17 4.83 1.51 0.88 -3.43 117.35 125.25 1ci5 s TYR 75 Ca 0.31 0.36 0.01 0.00 -1.01 0.00 0.00 57.07 56.74 1ci5 s TYR 75 Cb -0.16 -1.83 0.02 0.00 -0.11 0.00 0.00 41.96 39.87 1ci5 s TYR 75 CO 0.13 0.65 -0.20 -1.21 -1.11 0.00 0.00 175.55 173.81 1ci5 s GLU 76 N -1.79 2.93 0.05 -0.62 2.02 0.28 -0.85 118.70 120.72 1ci5 s GLU 76 Ca 0.25 -0.81 -0.04 0.00 0.02 0.00 0.00 54.97 54.39 1ci5 s GLU 76 Cb -0.12 -2.50 -0.05 0.00 0.10 0.00 0.00 34.13 31.56 1ci5 s GLU 76 CO 0.16 -0.18 0.26 1.41 0.02 0.00 0.00 175.26 176.94 1ci5 s MET 77 N 1.22 3.53 -0.21 1.61 1.75 -0.15 0.11 119.30 127.16 1ci5 s MET 77 Ca 0.03 -0.22 -0.04 0.00 -1.25 0.00 0.00 55.69 54.21 1ci5 s MET 77 Cb -0.13 -3.02 0.07 0.00 2.84 0.00 0.00 34.83 34.59 1ci5 s MET 77 CO -0.11 0.60 0.09 -1.21 -0.65 0.00 0.00 175.02 173.74 1ci5 s GLU 78 N -2.21 0.28 -0.12 4.11 0.41 0.34 -2.48 118.70 119.04 1ci5 s GLU 78 Ca 0.33 -0.34 0.03 0.00 -0.41 0.00 0.00 54.97 54.58 1ci5 s GLU 78 Cb -0.13 -1.75 0.01 0.00 -1.78 0.00 0.00 34.13 30.47 1ci5 s GLU 78 CO 0.22 -0.77 -0.22 0.45 -0.49 0.00 0.00 175.26 174.45 1ci5 s SER 79 N 2.03 3.00 0.39 -0.19 0.15 -1.26 -0.73 113.70 117.08 1ci5 s SER 79 Ca 0.03 -0.56 0.13 0.00 0.70 0.00 0.00 55.95 56.25 1ci5 s SER 79 Cb -0.16 -1.38 0.94 0.00 -1.71 0.00 0.00 66.02 63.71 1ci5 s SER 79 CO -0.16 0.11 1.89 -0.65 1.20 0.00 0.00 173.24 175.63 1ci5 h PRO 80 N 7.03 0.53 0.00 5.44 0.11 -1.94 0.48 132.00 143.65 1ci5 h PRO 80 Ca -0.26 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.63 1ci5 h PRO 80 Cb 1.21 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1ci5 h PRO 80 CO 0.51 0.35 -0.88 -0.97 -0.21 0.00 0.00 178.00 176.80 1ci5 h ASN 81 N 0.54 0.00 -4.07 -2.05 -0.73 -1.95 -3.46 115.58 103.86 1ci5 h ASN 81 Ca 0.41 0.00 -0.54 0.00 1.87 0.00 0.00 56.30 58.04 1ci5 h ASN 81 Cb 0.79 0.00 0.19 0.00 0.27 0.00 0.00 38.32 39.57 1ci5 h ASN 81 CO -0.16 0.88 0.23 -0.38 -0.37 0.00 0.00 177.43 177.63 1ci5 n ILE 82 N -3.38 1.95 -0.19 2.57 5.41 0.16 -4.91 119.36 120.96 1ci5 n ILE 82 Ca 0.00 -0.22 -0.07 0.00 1.00 0.00 0.00 62.75 63.46 1ci5 n ILE 82 Cb 0.87 -1.13 0.03 0.00 -0.71 0.00 0.00 39.64 38.69 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 -0.88 1.18 0.00 1.39 2.02 -1.89 -3.46 112.91 111.26 1ci5 h THR 83 Ca -0.46 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.28 1ci5 h THR 83 Cb 1.30 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1ci5 h THR 83 CO 0.45 0.19 0.00 0.47 0.37 0.00 0.00 175.52 177.00 1ci5 n ASP 84 N -4.62 0.00 -3.61 4.18 8.00 -1.26 -5.14 116.55 114.09 1ci5 n ASP 84 Ca 0.03 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.51 1ci5 n ASP 84 Cb 0.07 0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.18 1ci5 n ASP 84 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1ci5 s SER 85 N 1.45 -0.14 0.16 -2.24 1.04 -1.26 -4.47 113.70 108.25 1ci5 s SER 85 Ca 0.00 -0.10 0.05 0.00 0.48 0.00 0.00 55.95 56.38 1ci5 s SER 85 Cb 0.00 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 1ci5 s SER 85 CO 0.00 -0.38 -0.11 0.00 0.98 0.00 0.00 173.24 173.73 1ci5 s MET 86 N -2.60 1.11 -0.45 4.02 0.23 -1.03 -4.97 119.30 115.60 1ci5 s MET 86 Ca 0.11 -1.47 0.03 0.00 -1.03 0.00 0.00 55.69 53.33 1ci5 s MET 86 Cb 0.01 -0.72 0.16 0.00 -1.53 0.00 0.00 34.83 32.75 1ci5 s MET 86 CO -0.04 0.10 0.33 0.15 -2.03 0.00 0.00 175.02 173.52 1ci5 s LYS 87 N -3.69 1.13 -0.13 3.16 3.01 -1.26 -0.97 119.74 120.99 1ci5 s LYS 87 Ca 0.17 -2.14 -0.28 0.00 -1.01 0.00 0.00 55.97 52.72 1ci5 s LYS 87 Cb 0.02 -1.84 -0.01 0.00 -1.01 0.00 0.00 37.83 34.99 1ci5 s LYS 87 CO 0.02 -1.31 0.93 -0.06 0.51 0.00 0.00 175.35 175.44 1ci5 s PHE 88 N 0.05 3.47 0.05 3.18 0.40 -0.03 -3.65 117.98 121.46 1ci5 s PHE 88 Ca 0.27 1.44 -0.21 0.00 -0.60 0.00 0.00 56.93 57.83 1ci5 s PHE 88 Cb -0.06 -3.11 -0.06 0.00 0.51 0.00 0.00 43.02 40.30 1ci5 s PHE 88 CO -0.13 -0.23 0.61 0.12 0.70 0.00 0.00 175.22 176.29 1ci5 s PHE 89 N 2.05 3.76 -0.05 0.36 2.19 0.35 -0.08 117.98 126.56 1ci5 s PHE 89 Ca 0.44 1.28 0.04 0.00 0.33 0.00 0.00 56.93 59.03 1ci5 s PHE 89 Cb -0.17 -2.58 -0.02 0.00 -1.31 0.00 0.00 43.02 38.93 1ci5 s PHE 89 CO 0.15 0.47 -0.18 -1.17 1.83 0.00 0.00 175.22 176.33 1ci5 s LEU 90 N -0.69 2.51 -0.12 6.12 2.96 -0.79 0.13 118.68 128.79 1ci5 s LEU 90 Ca 0.31 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 1ci5 s LEU 90 Cb -0.19 -1.49 0.02 0.00 0.50 0.00 0.00 46.19 45.02 1ci5 s LEU 90 CO 0.19 0.31 -0.16 -0.31 -1.32 0.00 0.00 176.35 175.07 1ci5 s TYR 91 N -0.53 2.11 -0.17 5.38 2.02 -0.28 -2.89 117.35 122.99 1ci5 s TYR 91 Ca 0.07 -1.07 -0.16 0.00 -0.37 0.00 0.00 57.07 55.55 1ci5 s TYR 91 Cb -0.11 -1.52 -0.04 0.00 -0.40 0.00 0.00 41.96 39.88 1ci5 s TYR 91 CO 0.01 -0.56 0.37 0.08 -1.57 0.00 0.00 175.55 173.89 1ci5 s VAL 92 N 1.13 5.23 0.42 0.71 1.01 -1.26 0.11 120.40 127.75 1ci5 s VAL 92 Ca -0.03 0.69 0.03 0.00 0.00 0.00 0.00 61.98 62.68 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 -0.05 0.31 0.08 -0.83 0.00 0.00 0.00 175.10 174.61 1ci5 s GLY 93 N 0.78 2.60 -0.05 4.51 0.00 0.20 -4.91 107.32 110.46 1ci5 s GLY 93 Ca 0.19 -1.26 -0.07 0.00 0.00 0.00 0.00 44.72 43.59 1ci5 s GLY 93 CO 0.07 -1.94 0.65 0.83 0.00 0.00 0.00 173.10 172.71 1ci5 h GLU 94 N 1.74 0.31 0.00 2.90 4.39 -1.94 0.14 114.58 122.12 1ci5 h GLU 94 Ca -0.39 -0.53 0.00 0.00 0.34 0.00 0.00 59.36 58.78 1ci5 h GLU 94 Cb 1.28 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 30.12 1ci5 h GLU 94 CO 0.65 1.20 0.00 0.45 -1.16 0.00 0.00 179.01 180.16