#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 1.26 -3.79 4.04 7.64 -1.26 -4.92 113.62 116.59 1ci5 n SER 2 Ca 0.00 -1.08 -0.13 0.00 1.01 0.00 0.00 58.87 58.67 1ci5 n SER 2 Cb 0.00 0.03 -0.12 0.00 -1.01 0.00 0.00 64.21 63.11 1ci5 n SER 2 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1ci5 s GLN 3 N -2.06 0.24 -0.22 1.43 0.74 -1.18 -5.04 119.66 113.57 1ci5 s GLN 3 Ca 0.01 0.33 -0.12 0.00 0.05 0.00 0.00 55.36 55.63 1ci5 s GLN 3 Cb 0.00 0.08 -0.05 0.00 1.10 0.00 0.00 33.01 34.14 1ci5 s GLN 3 CO 0.00 -0.05 0.22 1.14 -0.55 0.00 0.00 175.29 176.05 1ci5 s GLN 4 N 0.30 4.13 0.23 1.67 -2.07 -1.26 -0.20 119.66 122.46 1ci5 s GLN 4 Ca -0.02 -0.13 -0.06 0.00 -1.82 0.00 0.00 55.36 53.33 1ci5 s GLN 4 Cb -0.03 -3.51 -0.06 0.00 -1.09 0.00 0.00 33.01 28.32 1ci5 s GLN 4 CO -0.01 0.10 0.50 0.42 -1.32 0.00 0.00 175.29 174.98 1ci5 s ILE 5 N 0.94 5.03 -0.37 3.63 -1.09 0.31 -4.89 121.20 124.76 1ci5 s ILE 5 Ca 0.11 0.18 -0.10 0.00 -2.23 0.00 0.00 60.65 58.61 1ci5 s ILE 5 Cb -0.13 -3.66 0.03 0.00 -1.58 0.00 0.00 42.46 37.12 1ci5 s ILE 5 CO 0.04 -0.14 0.19 -0.31 -1.23 0.00 0.00 174.94 173.50 1ci5 s TYR 6 N -1.87 3.25 0.48 3.97 2.02 -1.26 -1.38 117.35 122.55 1ci5 s TYR 6 Ca 0.44 -1.06 0.05 0.00 -0.37 0.00 0.00 57.07 56.13 1ci5 s TYR 6 Cb -0.11 -2.43 -0.02 0.00 -0.40 0.00 0.00 41.96 39.00 1ci5 s TYR 6 CO 0.25 -0.67 0.17 0.20 -1.57 0.00 0.00 175.55 173.94 1ci5 s GLY 7 N 1.55 2.58 -0.09 0.71 0.00 0.25 -4.96 107.32 107.36 1ci5 s GLY 7 Ca 0.01 -1.32 -0.10 0.00 0.00 0.00 0.00 44.72 43.31 1ci5 s GLY 7 CO 0.06 -2.03 0.27 -1.34 0.00 0.00 0.00 173.10 170.06 1ci5 s VAL 8 N -2.75 0.01 0.31 1.40 -7.23 -1.26 0.00 120.40 110.88 1ci5 s VAL 8 Ca 0.27 -0.06 -0.27 0.00 -1.81 0.00 0.00 61.98 60.11 1ci5 s VAL 8 Cb 0.02 -0.40 -0.14 0.00 0.56 0.00 0.00 36.38 36.42 1ci5 s VAL 8 CO 0.15 -0.03 0.93 1.17 -0.31 0.00 0.00 175.10 177.01 1ci5 n LYS 9 N 2.76 1.17 -1.44 4.82 3.00 0.07 -0.20 118.16 128.35 1ci5 n LYS 9 Ca -0.14 0.41 -0.15 0.00 -0.00 0.00 0.00 58.31 58.44 1ci5 n LYS 9 Cb 0.58 -1.77 -0.06 0.00 0.00 0.00 0.00 35.03 33.78 1ci5 n LYS 9 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1ci5 n TYR 10 N 0.03 0.00 -4.26 5.64 4.02 -1.14 -4.85 117.16 116.59 1ci5 n TYR 10 Ca 0.10 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.83 1ci5 n TYR 10 Cb 0.33 -2.86 -0.03 0.00 -0.02 0.00 0.00 39.34 36.76 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 -0.57 3.68 3.41 2.72 0.00 0.71 -4.80 105.19 110.35 1ci5 n GLY 11 Ca -0.15 -2.28 -0.21 0.00 0.00 0.00 0.00 46.02 43.37 1ci5 n GLY 11 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ci5 s ASN 12 N -2.51 3.04 -0.02 1.61 0.02 -1.26 -2.11 114.94 113.72 1ci5 s ASN 12 Ca 0.03 -1.05 -0.27 0.00 -1.02 0.00 0.00 52.86 50.55 1ci5 s ASN 12 Cb -0.00 -0.21 0.06 0.00 0.02 0.00 0.00 41.25 41.12 1ci5 s ASN 12 CO 0.02 -0.10 0.61 0.68 0.02 0.00 0.00 177.10 178.32 1ci5 s VAL 13 N -2.78 0.01 -0.01 1.60 -7.23 -1.04 -4.77 120.40 106.19 1ci5 s VAL 13 Ca 0.26 -0.09 0.05 0.00 -1.81 0.00 0.00 61.98 60.39 1ci5 s VAL 13 Cb -0.02 -0.95 -0.01 0.00 0.56 0.00 0.00 36.38 35.96 1ci5 s VAL 13 CO 0.11 -0.05 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.81 1ci5 s THR 14 N -1.59 1.18 -0.69 5.32 2.01 -1.26 -0.54 115.64 120.08 1ci5 s THR 14 Ca -0.10 -0.67 -0.08 0.00 0.31 0.00 0.00 61.69 61.16 1ci5 s THR 14 Cb -0.01 -0.99 0.18 0.00 0.01 0.00 0.00 72.50 71.69 1ci5 s THR 14 CO 0.06 0.31 0.56 -0.36 -0.69 0.00 0.00 174.62 174.50 1ci5 s PHE 15 N -0.39 3.54 0.45 4.92 0.08 0.41 -4.95 117.98 122.04 1ci5 s PHE 15 Ca 0.06 -2.38 -0.25 0.00 0.12 0.00 0.00 56.93 54.47 1ci5 s PHE 15 Cb -0.06 -3.46 -0.08 0.00 -0.57 0.00 0.00 43.02 38.86 1ci5 s PHE 15 CO -0.00 -0.91 1.32 -1.01 -0.10 0.00 0.00 175.22 174.52 1ci5 s HIS 16 N 0.11 2.64 -0.13 0.36 3.76 -1.26 -2.39 115.29 118.38 1ci5 s HIS 16 Ca 0.17 1.39 0.01 0.00 -0.15 0.00 0.00 55.06 56.47 1ci5 s HIS 16 Cb -0.17 -3.71 0.02 0.00 1.11 0.00 0.00 32.58 29.83 1ci5 s HIS 16 CO -0.05 -2.36 -0.15 0.08 -0.85 0.00 0.00 174.74 171.40 1ci5 s VAL 17 N -1.29 1.57 -1.05 -0.90 1.01 -1.26 -4.96 120.40 113.51 1ci5 s VAL 17 Ca 0.62 -0.66 -0.20 0.00 0.00 0.00 0.00 61.98 61.73 1ci5 s VAL 17 Cb -0.38 -1.44 -0.08 0.00 0.00 0.00 0.00 36.38 34.47 1ci5 s VAL 17 CO 0.48 0.46 1.97 -0.81 0.00 0.00 0.00 175.10 177.20 1ci5 n PRO 18 N 4.41 1.97 -3.75 2.72 -0.04 -1.26 -4.82 135.00 134.23 1ci5 n PRO 18 Ca -0.18 -2.26 -0.36 0.00 -0.04 0.00 0.00 63.50 60.65 1ci5 n PRO 18 Cb 0.51 -3.21 -0.11 0.00 -0.04 0.00 0.00 33.50 30.65 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 4.83 5.28 0.46 3.54 0.15 -1.26 -4.95 113.70 121.75 1ci5 s SER 19 Ca 0.57 -2.18 0.18 0.00 0.70 0.00 0.00 55.95 55.22 1ci5 s SER 19 Cb 0.10 -1.84 1.14 0.00 -1.71 0.00 0.00 66.02 63.71 1ci5 s SER 19 CO 0.07 -0.52 1.96 -1.13 1.20 0.00 0.00 173.24 174.82 1ci5 h ASN 20 N 7.88 0.28 -3.25 5.45 -1.24 -1.96 -3.41 115.58 119.33 1ci5 h ASN 20 Ca -0.11 0.01 -0.66 0.00 0.71 0.00 0.00 56.30 56.25 1ci5 h ASN 20 Cb 1.03 -0.04 -0.12 0.00 0.73 0.00 0.00 38.32 39.92 1ci5 h ASN 20 CO 0.71 0.15 -0.61 -1.10 -1.29 0.00 0.00 177.43 175.29 1ci5 s GLN 21 N -5.29 2.91 0.13 6.67 -1.52 -1.26 -5.06 119.66 116.23 1ci5 s GLN 21 Ca -0.07 -0.55 -0.35 0.00 -1.95 0.00 0.00 55.36 52.44 1ci5 s GLN 21 Cb 0.20 -2.76 -0.15 0.00 -0.22 0.00 0.00 33.01 30.09 1ci5 s GLN 21 CO 0.75 0.64 1.50 -2.30 -0.25 0.00 0.00 175.29 175.63 1ci5 n PRO 22 N 1.35 1.80 -2.85 2.91 -0.02 -1.26 -4.86 135.00 132.07 1ci5 n PRO 22 Ca -0.14 0.65 -0.43 0.00 -2.02 0.00 0.00 63.50 61.56 1ci5 n PRO 22 Cb 0.53 -2.38 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 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 0.79 4.06 0.03 2.45 1.43 -0.67 -4.88 118.68 121.89 1ci5 s LEU 23 Ca 0.81 0.05 0.06 0.00 -1.03 0.00 0.00 54.13 54.02 1ci5 s LEU 23 Cb -0.78 -3.14 -0.23 0.00 0.03 0.00 0.00 46.19 42.07 1ci5 s LEU 23 CO 0.41 -1.03 0.95 0.11 0.23 0.00 0.00 176.35 177.02 1ci5 h LYS 24 N 9.07 0.06 -4.48 1.70 6.56 -1.91 -3.43 116.57 124.15 1ci5 h LYS 24 Ca -0.24 -0.11 -0.60 0.00 -1.06 0.00 0.00 60.65 58.64 1ci5 h LYS 24 Cb 1.08 0.04 -0.37 0.00 -0.57 0.00 0.00 32.23 32.41 1ci5 h LYS 24 CO 1.02 0.85 -0.81 -1.21 -2.06 0.00 0.00 179.45 177.24 1ci5 s GLU 25 N -2.65 1.91 -0.05 3.15 0.41 -1.26 -2.72 118.70 117.49 1ci5 s GLU 25 Ca -0.04 -0.75 -0.02 0.00 -0.41 0.00 0.00 54.97 53.76 1ci5 s GLU 25 Cb 0.08 -2.30 0.04 0.00 -1.78 0.00 0.00 34.13 30.17 1ci5 s GLU 25 CO 0.83 -0.42 0.09 0.54 -0.49 0.00 0.00 175.26 175.82 1ci5 s VAL 26 N 1.46 -0.08 -0.23 2.63 0.11 -0.89 -4.10 120.40 119.30 1ci5 s VAL 26 Ca -0.00 0.23 0.02 0.00 -2.93 0.00 0.00 61.98 59.29 1ci5 s VAL 26 Cb -0.16 -0.17 0.05 0.00 -1.53 0.00 0.00 36.38 34.57 1ci5 s VAL 26 CO -0.08 0.09 -0.11 -0.22 -3.33 0.00 0.00 175.10 171.46 1ci5 s LEU 27 N 1.31 2.85 -0.15 2.54 2.96 -0.05 0.13 118.68 128.27 1ci5 s LEU 27 Ca -0.07 -1.15 -0.16 0.00 -0.22 0.00 0.00 54.13 52.53 1ci5 s LEU 27 Cb -0.12 -1.39 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 1ci5 s LEU 27 CO -0.05 -0.17 0.39 0.26 -1.32 0.00 0.00 176.35 175.46 1ci5 s TRP 28 N 1.25 3.46 0.19 5.38 0.52 0.16 0.12 118.94 130.03 1ci5 s TRP 28 Ca -0.05 0.71 0.11 0.00 0.02 0.00 0.00 56.10 56.89 1ci5 s TRP 28 Cb -0.18 -2.46 -0.04 0.00 -1.15 0.00 0.00 33.47 29.63 1ci5 s TRP 28 CO -0.07 0.16 -0.24 0.15 0.02 0.00 0.00 176.95 176.97 1ci5 s LYS 29 N 0.71 1.54 -0.23 4.98 3.01 0.20 -0.45 119.74 129.50 1ci5 s LYS 29 Ca 0.21 -1.52 -0.04 0.00 -1.01 0.00 0.00 55.97 53.61 1ci5 s LYS 29 Cb -0.14 -1.86 0.08 0.00 -1.01 0.00 0.00 37.83 34.90 1ci5 s LYS 29 CO 0.07 0.40 0.10 0.21 0.51 0.00 0.00 175.35 176.64 1ci5 s LYS 30 N -2.68 0.26 6.74 1.68 2.20 -0.21 0.55 119.74 128.28 1ci5 s LYS 30 Ca 0.21 -0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.43 1ci5 s LYS 30 Cb -0.08 -1.64 0.00 0.00 -1.51 0.00 0.00 37.83 34.60 1ci5 s LYS 30 CO 0.10 -0.82 0.00 1.04 -0.36 0.00 0.00 175.35 175.31 1ci5 n GLN 31 N 5.19 0.00 -0.77 4.03 6.02 -1.19 -2.04 117.38 128.62 1ci5 n GLN 31 Ca -0.06 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.85 1ci5 n GLN 31 Cb 0.46 0.00 0.20 0.00 1.02 0.00 0.00 30.24 31.91 1ci5 n GLN 31 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1ci5 n LYS 32 N 13.37 2.73 -4.25 -1.09 4.76 -1.26 -4.91 118.16 127.52 1ci5 n LYS 32 Ca 0.00 -2.19 -0.14 0.00 -2.87 0.00 0.00 58.31 53.11 1ci5 n LYS 32 Cb 0.00 -1.93 -0.10 0.00 -1.84 0.00 0.00 35.03 31.16 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 -0.60 0.93 -0.00 4.39 1.01 -0.86 -5.16 116.67 116.37 1ci5 s ASP 33 Ca 0.40 -1.29 -0.02 0.00 0.71 0.00 0.00 52.55 52.35 1ci5 s ASP 33 Cb 0.32 0.20 -0.04 0.00 1.01 0.00 0.00 42.92 44.41 1ci5 s ASP 33 CO 0.09 -0.69 0.16 -0.54 0.21 0.00 0.00 175.17 174.40 1ci5 s LYS 34 N -4.02 3.35 -0.05 8.23 1.02 -1.26 -1.05 119.74 125.97 1ci5 s LYS 34 Ca 0.32 -0.37 -0.06 0.00 0.02 0.00 0.00 55.97 55.88 1ci5 s LYS 34 Cb 0.07 -3.04 -0.02 0.00 -0.52 0.00 0.00 37.83 34.32 1ci5 s LYS 34 CO 0.09 0.67 -0.11 0.28 -0.92 0.00 0.00 175.35 175.35 1ci5 n VAL 35 N 0.97 0.60 -4.03 3.17 0.31 0.41 -4.54 118.33 115.21 1ci5 n VAL 35 Ca -0.11 0.30 -0.08 0.00 -0.01 0.00 0.00 64.34 64.45 1ci5 n VAL 35 Cb 0.53 -1.70 -0.09 0.00 -0.91 0.00 0.00 33.84 31.66 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 -2.72 0.34 -0.15 3.52 0.00 -0.78 -1.16 121.76 120.81 1ci5 s ALA 36 Ca -0.09 -1.07 -0.08 0.00 0.00 0.00 0.00 51.96 50.72 1ci5 s ALA 36 Cb 0.01 0.42 0.06 0.00 0.00 0.00 0.00 23.12 23.61 1ci5 s ALA 36 CO 0.13 -0.43 0.35 -1.83 0.00 0.00 0.00 175.76 173.98 1ci5 s GLU 37 N -3.92 0.32 -0.09 0.00 4.04 -0.24 0.40 118.70 119.21 1ci5 s GLU 37 Ca 0.09 0.71 0.01 0.00 0.04 0.00 0.00 54.97 55.82 1ci5 s GLU 37 Cb 0.07 -0.05 -0.02 0.00 0.02 0.00 0.00 34.13 34.15 1ci5 s GLU 37 CO -0.09 -0.17 -0.11 -1.17 -1.84 0.00 0.00 175.26 171.89 1ci5 s LEU 38 N 1.42 2.87 -0.25 1.83 2.96 0.35 -1.84 118.68 126.01 1ci5 s LEU 38 Ca -0.09 -0.20 -0.02 0.00 -0.22 0.00 0.00 54.13 53.60 1ci5 s LEU 38 Cb -0.09 -1.62 0.13 0.00 0.50 0.00 0.00 46.19 45.11 1ci5 s LEU 38 CO -0.11 0.27 0.35 -1.61 -1.32 0.00 0.00 176.35 173.93 1ci5 s GLU 39 N -0.29 0.33 -0.77 1.98 0.41 0.77 -2.10 118.70 119.03 1ci5 s GLU 39 Ca 0.03 0.35 -0.00 0.00 -0.41 0.00 0.00 54.97 54.93 1ci5 s GLU 39 Cb -0.13 -0.59 0.00 0.00 -1.78 0.00 0.00 34.13 31.64 1ci5 s GLU 39 CO 0.03 -0.74 0.66 -1.71 -0.49 0.00 0.00 175.26 173.00 1ci5 n ASN 40 N 5.35 -6.68 -1.83 -0.19 5.15 -1.10 -1.71 115.26 114.24 1ci5 n ASN 40 Ca -0.03 -0.41 -0.16 0.00 -0.60 0.00 0.00 54.58 53.39 1ci5 n ASN 40 Cb 0.49 -3.93 -0.04 0.00 -0.53 0.00 0.00 39.78 35.77 1ci5 n ASN 40 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1ci5 n SER 41 N -2.08 -4.33 -4.03 1.20 3.41 -1.26 -4.92 113.62 101.61 1ci5 n SER 41 Ca -0.12 0.28 -0.32 0.00 -0.26 0.00 0.00 58.87 58.45 1ci5 n SER 41 Cb 0.57 -3.82 -0.15 0.00 -0.26 0.00 0.00 64.21 60.56 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 -3.99 1.59 -0.18 4.33 2.12 -0.69 -5.09 118.70 116.79 1ci5 s GLU 42 Ca 0.00 -1.83 -0.07 0.00 0.36 0.00 0.00 54.97 53.43 1ci5 s GLU 42 Cb 0.00 -3.22 -0.04 0.00 0.26 0.00 0.00 34.13 31.13 1ci5 s GLU 42 CO 0.00 -0.92 0.07 0.12 -0.54 0.00 0.00 175.26 173.99 1ci5 s PHE 43 N 0.94 3.27 -0.20 5.30 5.36 -1.26 -0.16 117.98 131.23 1ci5 s PHE 43 Ca 0.09 0.11 -0.16 0.00 -0.96 0.00 0.00 56.93 56.02 1ci5 s PHE 43 Cb -0.19 -2.07 0.06 0.00 -0.34 0.00 0.00 43.02 40.47 1ci5 s PHE 43 CO -0.07 0.19 0.51 0.50 -1.46 0.00 0.00 175.22 174.89 1ci5 s ARG 44 N 0.28 0.57 0.28 10.12 3.52 -0.77 -5.02 118.95 127.94 1ci5 s ARG 44 Ca 0.04 0.79 0.07 0.00 -0.13 0.00 0.00 55.73 56.50 1ci5 s ARG 44 Cb -0.12 0.21 -0.03 0.00 -1.56 0.00 0.00 34.95 33.44 1ci5 s ARG 44 CO 0.00 -0.10 0.23 0.00 -0.81 0.00 0.00 175.30 174.62 1ci5 s ALA 45 N 0.67 3.67 0.37 6.12 0.00 -1.26 -1.08 121.76 130.25 1ci5 s ALA 45 Ca -0.03 -1.51 0.07 0.00 0.00 0.00 0.00 51.96 50.49 1ci5 s ALA 45 Cb -0.05 -1.25 -0.02 0.00 0.00 0.00 0.00 23.12 21.81 1ci5 s ALA 45 CO -0.04 0.16 0.37 -0.06 0.00 0.00 0.00 175.76 176.18 1ci5 s PHE 46 N -2.20 2.87 0.00 0.00 0.40 -0.31 -4.60 117.98 114.13 1ci5 s PHE 46 Ca 0.36 -0.35 0.00 0.00 -0.60 0.00 0.00 56.93 56.33 1ci5 s PHE 46 Cb -0.07 -1.98 0.00 0.00 0.51 0.00 0.00 43.02 41.47 1ci5 s PHE 46 CO 0.25 0.01 0.00 -1.13 0.70 0.00 0.00 175.22 175.06 1ci5 n SER 47 N -1.50 -0.15 -1.72 1.36 3.41 -1.26 -2.09 113.62 111.66 1ci5 n SER 47 Ca 0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.48 1ci5 n SER 47 Cb 0.60 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.65 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 -3.38 3.56 -0.03 4.04 3.41 -1.26 -4.06 113.62 115.91 1ci5 n SER 48 Ca 0.00 -2.94 -0.09 0.00 -0.26 0.00 0.00 58.87 55.58 1ci5 n SER 48 Cb 0.00 -0.71 -0.14 0.00 -0.26 0.00 0.00 64.21 63.10 1ci5 n SER 48 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ci5 n PHE 49 N -0.44 0.95 -0.26 7.33 3.72 -0.89 -4.15 117.46 123.73 1ci5 n PHE 49 Ca 0.35 0.35 0.06 0.00 -0.05 0.00 0.00 57.45 58.16 1ci5 n PHE 49 Cb 1.16 -1.18 0.19 0.00 -0.94 0.00 0.00 39.48 38.71 1ci5 n PHE 49 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1ci5 h LYS 50 N 0.00 0.18 -0.02 -1.08 1.57 -1.70 0.89 116.57 116.41 1ci5 h LYS 50 Ca -0.30 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1ci5 h LYS 50 Cb 2.03 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 34.30 1ci5 h LYS 50 CO 0.08 0.12 0.00 0.09 -0.57 0.00 0.00 179.45 179.17 1ci5 n ASN 51 N -5.25 0.46 -0.24 0.86 3.02 -1.26 -3.41 115.26 109.44 1ci5 n ASN 51 Ca 0.15 -1.29 0.04 0.00 -0.03 0.00 0.00 54.58 53.45 1ci5 n ASN 51 Cb 0.50 -0.01 0.05 0.00 -0.61 0.00 0.00 39.78 39.71 1ci5 n ASN 51 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ci5 n ARG 52 N -0.58 0.75 -4.13 3.52 5.12 0.25 -4.98 116.66 116.60 1ci5 n ARG 52 Ca 0.19 -1.58 -0.14 0.00 -1.93 0.00 0.00 57.85 54.40 1ci5 n ARG 52 Cb 0.17 -0.92 -0.11 0.00 -1.16 0.00 0.00 32.46 30.44 1ci5 n ARG 52 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1ci5 s VAL 53 N -1.16 0.77 -0.43 1.55 -7.23 0.18 0.83 120.40 114.91 1ci5 s VAL 53 Ca 0.12 -1.47 0.05 0.00 -1.81 0.00 0.00 61.98 58.87 1ci5 s VAL 53 Cb 0.10 -1.13 0.18 0.00 0.56 0.00 0.00 36.38 36.10 1ci5 s VAL 53 CO 0.01 -0.52 0.45 0.00 -0.31 0.00 0.00 175.10 174.72 1ci5 n TYR 54 N 0.83 -1.48 -2.18 2.82 9.36 0.34 -4.89 117.16 121.95 1ci5 n TYR 54 Ca -0.18 -2.93 -0.41 0.00 3.32 0.00 0.00 57.90 57.70 1ci5 n TYR 54 Cb 0.57 0.46 -0.03 0.00 -0.63 0.00 0.00 39.34 39.71 1ci5 n TYR 54 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 1ci5 s LEU 55 N 0.05 4.44 0.11 2.98 2.96 -1.26 -1.78 118.68 126.17 1ci5 s LEU 55 Ca 0.33 2.59 -0.25 0.00 -0.22 0.00 0.00 54.13 56.57 1ci5 s LEU 55 Cb 0.05 -3.64 -0.07 0.00 0.50 0.00 0.00 46.19 43.04 1ci5 s LEU 55 CO -0.16 -0.48 0.77 -0.62 -1.32 0.00 0.00 176.35 174.54 1ci5 s ASP 56 N -0.42 7.30 -0.57 3.68 2.15 0.33 -4.92 116.67 124.22 1ci5 s ASP 56 Ca 0.49 1.55 -0.01 0.00 0.43 0.00 0.00 52.55 55.01 1ci5 s ASP 56 Cb -0.38 -2.48 0.41 0.00 -0.30 0.00 0.00 42.92 40.16 1ci5 s ASP 56 CO 0.49 0.12 2.02 1.07 -0.17 0.00 0.00 175.17 178.70 1ci5 n THR 57 N 2.16 3.40 0.00 1.71 5.66 -1.26 -3.57 114.28 122.38 1ci5 n THR 57 Ca -0.04 -2.57 0.00 0.00 -3.05 0.00 0.00 64.05 58.39 1ci5 n THR 57 Cb 0.49 -1.16 0.00 0.00 -1.55 0.00 0.00 70.33 68.12 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 -0.64 0.00 -0.31 1.09 4.01 -1.26 -4.90 118.16 116.14 1ci5 n LYS 58 Ca 0.55 0.00 0.10 0.00 -0.51 0.00 0.00 58.31 58.45 1ci5 n LYS 58 Cb 0.70 0.00 0.27 0.00 -0.51 0.00 0.00 35.03 35.49 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 -1.84 3.66 0.00 4.39 2.88 -1.26 -1.67 113.62 119.77 1ci5 n SER 59 Ca 0.00 -1.99 0.00 0.00 -1.33 0.00 0.00 58.87 55.55 1ci5 n SER 59 Cb 0.00 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 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 1.35 1.09 3.55 0.46 0.00 -1.23 -4.54 105.19 105.87 1ci5 n GLY 60 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.08 -4.22 1.61 3.41 -1.26 -4.60 113.62 108.48 1ci5 n SER 61 Ca 0.00 0.72 -0.29 0.00 -0.26 0.00 0.00 58.87 59.05 1ci5 n SER 61 Cb 0.00 -1.31 -0.16 0.00 -0.26 0.00 0.00 64.21 62.48 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 -1.24 2.01 -0.26 1.04 2.96 -1.01 0.12 118.68 122.31 1ci5 s LEU 62 Ca 0.72 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 54.22 1ci5 s LEU 62 Cb -0.40 -1.17 0.07 0.00 0.50 0.00 0.00 46.19 45.19 1ci5 s LEU 62 CO 0.51 0.22 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.83 1ci5 s THR 63 N -0.21 1.70 0.51 3.68 2.01 -0.74 0.16 115.64 122.75 1ci5 s THR 63 Ca 0.00 -1.47 -0.15 0.00 0.31 0.00 0.00 61.69 60.38 1ci5 s THR 63 Cb -0.11 -2.00 -0.07 0.00 0.01 0.00 0.00 72.50 70.32 1ci5 s THR 63 CO 0.02 -0.20 0.96 -0.63 -0.69 0.00 0.00 174.62 174.08 1ci5 s ILE 64 N 1.29 4.58 0.05 1.82 1.01 0.30 0.13 121.20 130.38 1ci5 s ILE 64 Ca -0.03 1.10 0.05 0.00 0.00 0.00 0.00 60.65 61.77 1ci5 s ILE 64 Cb -0.19 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 1ci5 s ILE 64 CO -0.08 -0.70 -0.14 -0.31 0.00 0.00 0.00 174.94 173.71 1ci5 s TYR 65 N -2.63 1.20 -0.46 3.97 1.51 0.24 -2.50 117.35 118.68 1ci5 s TYR 65 Ca 0.57 -0.40 -0.21 0.00 -1.01 0.00 0.00 57.07 56.02 1ci5 s TYR 65 Cb -0.10 -0.70 0.03 0.00 -0.11 0.00 0.00 41.96 41.08 1ci5 s TYR 65 CO 0.33 0.04 0.62 0.09 -1.11 0.00 0.00 175.55 175.53 1ci5 n ASN 66 N 1.60 -7.19 -4.88 2.29 3.02 -0.90 -4.70 115.26 104.51 1ci5 n ASN 66 Ca -0.20 0.27 -0.30 0.00 -0.03 0.00 0.00 54.58 54.32 1ci5 n ASN 66 Cb 0.54 -4.26 0.01 0.00 -0.61 0.00 0.00 39.78 35.47 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 -2.70 3.26 0.27 3.41 1.43 -1.21 -4.81 118.68 118.33 1ci5 s LEU 67 Ca 0.27 1.31 0.00 0.00 -1.03 0.00 0.00 54.13 54.69 1ci5 s LEU 67 Cb -0.06 -4.33 -0.03 0.00 0.03 0.00 0.00 46.19 41.81 1ci5 s LEU 67 CO 0.80 -0.87 0.26 0.42 0.23 0.00 0.00 176.35 177.19 1ci5 s THR 68 N -3.13 0.00 0.05 5.49 -4.23 -1.26 -2.89 115.64 109.67 1ci5 s THR 68 Ca 0.54 -1.88 0.31 0.00 -1.18 0.00 0.00 61.69 59.48 1ci5 s THR 68 Cb -0.11 -2.49 0.33 0.00 1.34 0.00 0.00 72.50 71.57 1ci5 s THR 68 CO 0.52 0.00 1.95 0.28 -0.54 0.00 0.00 174.62 176.83 1ci5 h SER 69 N 2.36 0.00 1.13 3.99 0.02 -1.98 -0.47 113.55 118.60 1ci5 h SER 69 Ca -0.30 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.61 1ci5 h SER 69 Cb 1.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 1ci5 h SER 69 CO 0.44 0.00 -0.89 -1.28 -1.14 0.00 0.00 176.83 173.96 1ci5 h SER 70 N 0.00 0.00 0.94 3.07 0.87 -2.00 -3.29 113.55 113.15 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 0.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1ci5 h SER 70 CO 0.00 0.13 0.00 0.44 -0.53 0.00 0.00 176.83 176.87 1ci5 h ASP 71 N 0.00 0.00 -0.82 6.23 5.19 -1.46 -3.40 116.42 122.17 1ci5 h ASP 71 Ca -0.03 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.05 1ci5 h ASP 71 Cb 1.13 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.58 1ci5 h ASP 71 CO 0.01 0.00 0.82 -0.70 -3.12 0.00 0.00 179.24 176.25 1ci5 s GLU 72 N -3.63 2.64 0.26 3.56 -6.30 -1.23 -4.76 118.70 109.24 1ci5 s GLU 72 Ca 0.01 -0.31 -0.20 0.00 -2.50 0.00 0.00 54.97 51.98 1ci5 s GLU 72 Cb 0.09 -5.05 0.02 0.00 0.00 0.00 0.00 34.13 29.19 1ci5 s GLU 72 CO 0.51 -3.25 0.66 -0.51 0.02 0.00 0.00 175.26 172.70 1ci5 s ASP 73 N 7.79 -0.25 -0.29 -1.70 1.01 -0.48 -4.92 116.67 117.82 1ci5 s ASP 73 Ca 0.68 -0.62 -0.29 0.00 0.71 0.00 0.00 52.55 53.03 1ci5 s ASP 73 Cb -0.06 0.69 0.01 0.00 1.01 0.00 0.00 42.92 44.57 1ci5 s ASP 73 CO -0.00 -1.28 1.12 -0.70 0.21 0.00 0.00 175.17 174.52 1ci5 s GLU 74 N -3.92 4.08 0.17 8.23 2.56 -1.26 -1.25 118.70 127.30 1ci5 s GLU 74 Ca 0.12 1.19 -0.02 0.00 0.00 0.00 0.00 54.97 56.26 1ci5 s GLU 74 Cb -0.05 -3.75 -0.05 0.00 2.00 0.00 0.00 34.13 32.29 1ci5 s GLU 74 CO 0.06 -0.88 0.36 0.71 -0.56 0.00 0.00 175.26 174.95 1ci5 s TYR 75 N 3.69 3.48 0.21 5.30 1.51 -0.90 -3.16 117.35 127.49 1ci5 s TYR 75 Ca 0.48 0.39 0.02 0.00 -1.01 0.00 0.00 57.07 56.95 1ci5 s TYR 75 Cb -0.14 -1.88 -0.05 0.00 -0.11 0.00 0.00 41.96 39.78 1ci5 s TYR 75 CO 0.15 0.42 0.02 -1.21 -1.11 0.00 0.00 175.55 173.82 1ci5 s GLU 76 N -3.03 1.26 -0.10 -0.62 2.02 0.19 -1.63 118.70 116.79 1ci5 s GLU 76 Ca 0.39 -1.63 -0.04 0.00 0.02 0.00 0.00 54.97 53.70 1ci5 s GLU 76 Cb -0.12 -0.41 0.05 0.00 0.10 0.00 0.00 34.13 33.76 1ci5 s GLU 76 CO 0.28 -0.15 0.21 1.41 0.02 0.00 0.00 175.26 177.03 1ci5 s MET 77 N -3.92 0.10 -0.29 1.61 1.75 0.37 0.59 119.30 119.51 1ci5 s MET 77 Ca 0.28 0.63 -0.08 0.00 -1.25 0.00 0.00 55.69 55.26 1ci5 s MET 77 Cb 0.06 -0.16 -0.01 0.00 2.84 0.00 0.00 34.83 37.57 1ci5 s MET 77 CO 0.08 -0.28 0.12 -1.21 -0.65 0.00 0.00 175.02 173.08 1ci5 s GLU 78 N 2.19 3.37 0.02 4.11 8.01 0.32 -1.75 118.70 134.97 1ci5 s GLU 78 Ca 0.01 -0.69 0.03 0.00 0.01 0.00 0.00 54.97 54.33 1ci5 s GLU 78 Cb -0.12 -3.46 -0.02 0.00 -4.31 0.00 0.00 34.13 26.22 1ci5 s GLU 78 CO -0.07 -0.36 -0.09 -1.12 0.01 0.00 0.00 175.26 173.62 1ci5 s SER 79 N 1.59 1.10 0.01 -0.19 0.01 -1.26 -0.87 113.70 114.08 1ci5 s SER 79 Ca 0.05 -0.36 -0.21 0.00 1.31 0.00 0.00 55.95 56.74 1ci5 s SER 79 Cb -0.17 -0.06 -0.20 0.00 0.21 0.00 0.00 66.02 65.81 1ci5 s SER 79 CO 0.05 -0.02 1.17 1.55 0.41 0.00 0.00 173.24 176.40 1ci5 h PRO 80 N 5.20 0.35 -0.30 12.44 0.13 -1.96 -3.23 132.00 144.63 1ci5 h PRO 80 Ca -0.34 -0.30 -0.06 0.00 -0.87 0.00 0.00 66.00 64.43 1ci5 h PRO 80 Cb 1.19 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1ci5 h PRO 80 CO 0.45 0.95 -0.07 -0.97 -0.23 0.00 0.00 178.00 178.13 1ci5 h ASN 81 N -0.15 0.47 -4.08 1.44 -1.24 -1.97 -3.43 115.58 106.61 1ci5 h ASN 81 Ca -0.03 -0.10 -0.54 0.00 0.71 0.00 0.00 56.30 56.33 1ci5 h ASN 81 Cb 1.02 -0.12 0.13 0.00 0.73 0.00 0.00 38.32 40.08 1ci5 h ASN 81 CO 0.07 0.59 0.54 -0.63 -1.29 0.00 0.00 177.43 176.71 1ci5 s ILE 82 N -4.84 2.27 0.12 2.57 1.01 -1.22 -4.94 121.20 116.17 1ci5 s ILE 82 Ca -0.07 0.18 -0.12 0.00 0.00 0.00 0.00 60.65 60.64 1ci5 s ILE 82 Cb 0.15 -3.08 -0.12 0.00 0.01 0.00 0.00 42.46 39.42 1ci5 s ILE 82 CO 0.77 -0.02 1.37 0.74 0.00 0.00 0.00 174.94 177.79 1ci5 h THR 83 N 1.05 1.27 0.00 2.92 2.02 -1.85 -3.46 112.91 114.86 1ci5 h THR 83 Ca -0.51 -1.82 0.00 0.00 0.77 0.00 0.00 66.41 64.85 1ci5 h THR 83 Cb 1.31 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.47 1ci5 h THR 83 CO 0.56 0.59 0.00 0.47 0.37 0.00 0.00 175.52 177.50 1ci5 n ASP 84 N -3.98 0.00 0.00 4.18 9.92 -1.26 -5.14 116.55 120.27 1ci5 n ASP 84 Ca -0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.20 1ci5 n ASP 84 Cb 0.68 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.16 1ci5 n ASP 84 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1ci5 n SER 85 N -0.89 0.00 -4.64 -2.24 2.88 -1.26 -4.59 113.62 102.88 1ci5 n SER 85 Ca 0.00 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.19 1ci5 n SER 85 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 1ci5 n SER 85 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1ci5 s MET 86 N -2.00 4.00 -0.20 -1.46 1.75 -0.72 -4.89 119.30 115.79 1ci5 s MET 86 Ca 0.00 -0.32 -0.00 0.00 -1.25 0.00 0.00 55.69 54.12 1ci5 s MET 86 Cb 0.00 -3.34 0.05 0.00 2.84 0.00 0.00 34.83 34.38 1ci5 s MET 86 CO 0.00 0.18 -0.03 0.15 -0.65 0.00 0.00 175.02 174.66 1ci5 s LYS 87 N 0.66 1.35 -0.20 4.11 3.01 -1.26 0.14 119.74 127.55 1ci5 s LYS 87 Ca 0.05 -0.70 0.01 0.00 -1.01 0.00 0.00 55.97 54.33 1ci5 s LYS 87 Cb -0.13 -2.28 0.04 0.00 -1.01 0.00 0.00 37.83 34.46 1ci5 s LYS 87 CO 0.01 -0.55 -0.11 -0.06 0.51 0.00 0.00 175.35 175.16 1ci5 s PHE 88 N 1.58 2.54 -0.43 3.18 0.08 -0.65 -3.12 117.98 121.16 1ci5 s PHE 88 Ca -0.02 -1.68 -0.29 0.00 0.12 0.00 0.00 56.93 55.06 1ci5 s PHE 88 Cb -0.17 -1.70 0.01 0.00 -0.57 0.00 0.00 43.02 40.59 1ci5 s PHE 88 CO -0.07 -0.76 1.44 0.12 -0.10 0.00 0.00 175.22 175.85 1ci5 s PHE 89 N 1.35 2.33 -0.08 0.36 2.19 0.72 -2.13 117.98 122.74 1ci5 s PHE 89 Ca -0.02 0.64 -0.25 0.00 0.33 0.00 0.00 56.93 57.64 1ci5 s PHE 89 Cb -0.16 -4.31 -0.03 0.00 -1.31 0.00 0.00 43.02 37.20 1ci5 s PHE 89 CO -0.08 -2.04 0.78 -1.17 1.83 0.00 0.00 175.22 174.54 1ci5 s LEU 90 N 5.68 4.29 -0.15 6.12 2.96 -0.38 0.11 118.68 137.32 1ci5 s LEU 90 Ca 0.61 1.27 0.01 0.00 -0.22 0.00 0.00 54.13 55.81 1ci5 s LEU 90 Cb -0.14 -3.21 0.00 0.00 0.50 0.00 0.00 46.19 43.35 1ci5 s LEU 90 CO 0.32 -0.21 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.64 1ci5 s TYR 91 N 1.16 2.73 -0.17 5.38 2.02 -0.48 -1.39 117.35 126.60 1ci5 s TYR 91 Ca 0.40 -1.19 -0.15 0.00 -0.37 0.00 0.00 57.07 55.76 1ci5 s TYR 91 Cb -0.18 -1.86 -0.04 0.00 -0.40 0.00 0.00 41.96 39.48 1ci5 s TYR 91 CO 0.19 -0.55 0.37 0.08 -1.57 0.00 0.00 175.55 174.07 1ci5 s VAL 92 N 0.83 5.24 0.46 0.71 1.01 -1.26 0.88 120.40 128.27 1ci5 s VAL 92 Ca -0.06 0.69 0.03 0.00 0.00 0.00 0.00 61.98 62.64 1ci5 s VAL 92 Cb -0.15 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1ci5 s VAL 92 CO -0.01 0.32 0.03 -0.83 0.00 0.00 0.00 175.10 174.60 1ci5 s GLY 93 N 0.76 2.79 -0.03 4.51 0.00 0.10 -4.91 107.32 110.54 1ci5 s GLY 93 Ca 0.19 -1.02 -0.08 0.00 0.00 0.00 0.00 44.72 43.81 1ci5 s GLY 93 CO 0.07 -2.09 0.74 0.83 0.00 0.00 0.00 173.10 172.65 1ci5 h GLU 94 N 1.56 0.35 0.00 2.90 5.08 -1.95 0.24 114.58 122.76 1ci5 h GLU 94 Ca -0.42 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 57.34 1ci5 h GLU 94 Cb 1.29 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.76 1ci5 h GLU 94 CO 0.72 1.24 0.00 0.43 -1.00 0.00 0.00 179.01 180.41