#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 -2.37 -3.94 4.04 3.41 -1.26 -5.02 113.62 108.47 1ci5 n SER 2 Ca 0.00 -0.99 -0.28 0.00 -0.26 0.00 0.00 58.87 57.34 1ci5 n SER 2 Cb 0.00 -0.85 -0.17 0.00 -0.26 0.00 0.00 64.21 62.94 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 -5.02 1.78 -0.02 4.33 0.74 -1.21 -5.01 119.66 115.26 1ci5 s GLN 3 Ca 0.59 -0.42 -0.23 0.00 0.05 0.00 0.00 55.36 55.35 1ci5 s GLN 3 Cb -0.07 -1.86 -0.05 0.00 1.10 0.00 0.00 33.01 32.13 1ci5 s GLN 3 CO 0.46 -0.29 0.67 -0.65 -0.55 0.00 0.00 175.29 174.93 1ci5 s GLN 4 N 1.61 4.41 0.17 1.67 -1.52 -1.26 -0.34 119.66 124.39 1ci5 s GLN 4 Ca 0.04 0.86 0.07 0.00 -1.95 0.00 0.00 55.36 54.38 1ci5 s GLN 4 Cb -0.13 -3.39 -0.04 0.00 -0.22 0.00 0.00 33.01 29.23 1ci5 s GLN 4 CO -0.09 0.24 0.04 0.42 -0.25 0.00 0.00 175.29 175.64 1ci5 s ILE 5 N 0.21 3.94 -0.22 1.08 -1.09 0.36 -4.89 121.20 120.59 1ci5 s ILE 5 Ca 0.35 -1.30 -0.05 0.00 -2.23 0.00 0.00 60.65 57.42 1ci5 s ILE 5 Cb -0.19 -2.99 -0.02 0.00 -1.58 0.00 0.00 42.46 37.69 1ci5 s ILE 5 CO 0.19 -0.09 -0.01 -0.31 -1.23 0.00 0.00 174.94 173.48 1ci5 s TYR 6 N -1.71 3.00 0.32 3.97 1.51 -1.26 -2.12 117.35 121.06 1ci5 s TYR 6 Ca 0.28 -0.71 0.03 0.00 -1.01 0.00 0.00 57.07 55.66 1ci5 s TYR 6 Cb -0.10 -2.13 -0.04 0.00 -0.11 0.00 0.00 41.96 39.58 1ci5 s TYR 6 CO 0.20 -0.43 0.11 0.20 -1.11 0.00 0.00 175.55 174.52 1ci5 s GLY 7 N 1.39 2.11 -0.09 0.71 0.00 0.44 -4.88 107.32 107.00 1ci5 s GLY 7 Ca 0.05 -1.73 -0.10 0.00 0.00 0.00 0.00 44.72 42.93 1ci5 s GLY 7 CO -0.00 -1.70 0.28 -1.34 0.00 0.00 0.00 173.10 170.34 1ci5 s VAL 8 N -3.48 0.01 0.19 1.40 -7.23 -1.26 -0.59 120.40 109.44 1ci5 s VAL 8 Ca 0.34 -0.10 -0.32 0.00 -1.81 0.00 0.00 61.98 60.09 1ci5 s VAL 8 Cb 0.06 -0.43 -0.16 0.00 0.56 0.00 0.00 36.38 36.41 1ci5 s VAL 8 CO 0.15 -0.05 1.07 0.29 -0.31 0.00 0.00 175.10 176.25 1ci5 n LYS 9 N 2.65 1.03 -1.73 4.82 4.76 0.16 0.37 118.16 130.22 1ci5 n LYS 9 Ca -0.14 0.37 -0.18 0.00 -2.87 0.00 0.00 58.31 55.48 1ci5 n LYS 9 Cb 0.58 -1.80 -0.06 0.00 -1.84 0.00 0.00 35.03 31.91 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 1.14 -0.21 -4.08 2.13 4.01 -0.70 -4.79 117.16 114.64 1ci5 n TYR 10 Ca 0.15 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.78 1ci5 n TYR 10 Cb 0.25 -3.22 -0.02 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 -0.81 3.72 3.46 2.72 0.00 0.16 -4.72 105.19 109.72 1ci5 n GLY 11 Ca -0.19 -2.25 -0.24 0.00 0.00 0.00 0.00 46.02 43.34 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 -1.95 3.52 -0.01 1.61 -0.87 -1.26 -1.30 114.94 114.68 1ci5 s ASN 12 Ca 0.03 -1.03 -0.29 0.00 -1.57 0.00 0.00 52.86 49.99 1ci5 s ASN 12 Cb -0.00 -0.29 0.07 0.00 -0.02 0.00 0.00 41.25 41.01 1ci5 s ASN 12 CO 0.02 0.03 0.68 -0.69 -2.57 0.00 0.00 177.10 174.56 1ci5 s VAL 13 N -2.53 0.00 -0.00 1.60 1.01 -0.99 -4.69 120.40 114.79 1ci5 s VAL 13 Ca 0.29 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.31 1ci5 s VAL 13 Cb -0.05 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 1ci5 s VAL 13 CO 0.14 0.00 -0.13 -0.89 0.00 0.00 0.00 175.10 174.23 1ci5 s THR 14 N -1.72 1.00 -0.54 3.92 2.01 -1.26 -0.72 115.64 118.33 1ci5 s THR 14 Ca -0.08 -0.59 -0.09 0.00 0.31 0.00 0.00 61.69 61.23 1ci5 s THR 14 Cb -0.00 -0.84 0.14 0.00 0.01 0.00 0.00 72.50 71.80 1ci5 s THR 14 CO 0.05 0.24 0.41 -0.36 -0.69 0.00 0.00 174.62 174.27 1ci5 s PHE 15 N -0.37 3.46 0.48 4.92 0.08 0.47 -4.95 117.98 122.07 1ci5 s PHE 15 Ca 0.04 -1.97 -0.23 0.00 0.12 0.00 0.00 56.93 54.89 1ci5 s PHE 15 Cb -0.05 -3.51 -0.07 0.00 -0.57 0.00 0.00 43.02 38.82 1ci5 s PHE 15 CO -0.00 -0.98 1.24 -1.01 -0.10 0.00 0.00 175.22 174.37 1ci5 s HIS 16 N 1.05 2.68 -0.07 0.36 3.76 -1.26 -2.09 115.29 119.72 1ci5 s HIS 16 Ca 0.08 1.47 0.03 0.00 -0.15 0.00 0.00 55.06 56.50 1ci5 s HIS 16 Cb -0.24 -3.54 0.01 0.00 1.11 0.00 0.00 32.58 29.92 1ci5 s HIS 16 CO -0.02 -2.00 -0.16 0.08 -0.85 0.00 0.00 174.74 171.79 1ci5 s VAL 17 N -1.44 1.41 -1.43 -0.90 1.01 -1.26 -4.94 120.40 112.85 1ci5 s VAL 17 Ca 0.65 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 1ci5 s VAL 17 Cb -0.33 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 1ci5 s VAL 17 CO 0.40 0.41 2.57 -0.81 0.00 0.00 0.00 175.10 177.68 1ci5 n PRO 18 N 3.55 3.10 -3.75 2.72 -0.04 -1.26 -4.83 135.00 134.49 1ci5 n PRO 18 Ca -0.21 -2.19 -0.36 0.00 -0.04 0.00 0.00 63.50 60.70 1ci5 n PRO 18 Cb 0.52 -2.90 -0.11 0.00 -0.04 0.00 0.00 33.50 30.98 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 2.82 5.24 0.35 3.54 0.15 -1.26 -4.94 113.70 119.59 1ci5 s SER 19 Ca 0.59 -2.40 0.04 0.00 0.70 0.00 0.00 55.95 54.88 1ci5 s SER 19 Cb 0.16 -1.84 0.69 0.00 -1.71 0.00 0.00 66.02 63.31 1ci5 s SER 19 CO -0.05 -0.47 1.96 -1.13 1.20 0.00 0.00 173.24 174.75 1ci5 h ASN 20 N 7.60 0.72 -3.10 5.45 -0.00 -1.95 -3.42 115.58 120.87 1ci5 h ASN 20 Ca -0.08 -0.00 -0.59 0.00 -0.00 0.00 0.00 56.30 55.62 1ci5 h ASN 20 Cb 1.00 -0.16 -0.04 0.00 -0.00 0.00 0.00 38.32 39.12 1ci5 h ASN 20 CO 0.71 0.47 -0.25 -1.58 -0.00 0.00 0.00 177.43 176.78 1ci5 s GLN 21 N -5.72 3.75 -0.04 6.67 0.74 -1.26 -5.02 119.66 118.78 1ci5 s GLN 21 Ca -0.10 0.16 -0.35 0.00 0.05 0.00 0.00 55.36 55.12 1ci5 s GLN 21 Cb 0.19 -3.00 -0.13 0.00 1.10 0.00 0.00 33.01 31.17 1ci5 s GLN 21 CO 0.78 0.56 1.74 -2.30 -0.55 0.00 0.00 175.29 175.52 1ci5 n PRO 22 N 0.90 1.96 -2.65 1.67 -0.02 -1.26 -4.80 135.00 130.80 1ci5 n PRO 22 Ca -0.08 0.71 -0.43 0.00 -2.02 0.00 0.00 63.50 61.68 1ci5 n PRO 22 Cb 0.52 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 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 2.91 3.69 0.04 2.45 1.43 0.22 -4.87 118.68 124.55 1ci5 s LEU 23 Ca 0.89 0.31 0.09 0.00 -1.03 0.00 0.00 54.13 54.39 1ci5 s LEU 23 Cb -0.76 -3.39 -0.22 0.00 0.03 0.00 0.00 46.19 41.84 1ci5 s LEU 23 CO 0.50 -1.26 0.98 0.50 0.23 0.00 0.00 176.35 177.30 1ci5 h LYS 24 N 9.26 0.01 -4.02 1.70 3.11 -1.90 -3.42 116.57 121.31 1ci5 h LYS 24 Ca -0.24 -0.02 -0.52 0.00 -2.81 0.00 0.00 60.65 57.07 1ci5 h LYS 24 Cb 1.06 0.01 -0.38 0.00 -1.00 0.00 0.00 32.23 31.92 1ci5 h LYS 24 CO 1.12 0.77 -0.79 -2.00 -2.81 0.00 0.00 179.45 175.74 1ci5 s GLU 25 N -2.66 1.21 0.01 1.90 2.12 -1.26 -4.00 118.70 116.03 1ci5 s GLU 25 Ca -0.02 -0.34 0.02 0.00 0.36 0.00 0.00 54.97 54.99 1ci5 s GLU 25 Cb 0.09 -1.75 -0.01 0.00 0.26 0.00 0.00 34.13 32.72 1ci5 s GLU 25 CO 0.82 -0.40 -0.07 0.54 -0.54 0.00 0.00 175.26 175.61 1ci5 s VAL 26 N 1.74 0.56 -0.13 3.70 0.11 -0.80 -4.03 120.40 121.54 1ci5 s VAL 26 Ca 0.02 -0.50 -0.01 0.00 -2.93 0.00 0.00 61.98 58.56 1ci5 s VAL 26 Cb -0.14 -0.51 0.04 0.00 -1.53 0.00 0.00 36.38 34.23 1ci5 s VAL 26 CO -0.07 0.02 -0.04 -0.22 -3.33 0.00 0.00 175.10 171.46 1ci5 s LEU 27 N -0.53 1.22 -0.13 2.54 2.96 0.99 0.12 118.68 125.85 1ci5 s LEU 27 Ca -0.00 -0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 53.40 1ci5 s LEU 27 Cb -0.04 -0.75 -0.04 0.00 0.50 0.00 0.00 46.19 45.86 1ci5 s LEU 27 CO 0.00 -0.18 0.04 0.26 -1.32 0.00 0.00 176.35 175.14 1ci5 s TRP 28 N 1.76 3.25 0.16 5.38 0.52 0.20 0.10 118.94 130.30 1ci5 s TRP 28 Ca 0.03 0.17 0.06 0.00 0.02 0.00 0.00 56.10 56.38 1ci5 s TRP 28 Cb -0.14 -1.91 -0.04 0.00 -1.15 0.00 0.00 33.47 30.22 1ci5 s TRP 28 CO -0.07 0.37 -0.14 0.15 0.02 0.00 0.00 176.95 177.28 1ci5 s LYS 29 N -0.42 1.15 -0.11 4.98 -0.14 0.35 0.33 119.74 125.88 1ci5 s LYS 29 Ca 0.09 -1.40 -0.04 0.00 -1.36 0.00 0.00 55.97 53.26 1ci5 s LYS 29 Cb -0.12 -0.97 0.05 0.00 -1.68 0.00 0.00 37.83 35.11 1ci5 s LYS 29 CO 0.02 0.17 0.12 0.21 -0.76 0.00 0.00 175.35 175.11 1ci5 s LYS 30 N -3.17 0.03 6.77 1.68 2.20 0.24 0.82 119.74 128.32 1ci5 s LYS 30 Ca 0.15 0.29 0.00 0.00 -0.36 0.00 0.00 55.97 56.05 1ci5 s LYS 30 Cb -0.02 -0.90 0.00 0.00 -1.51 0.00 0.00 37.83 35.40 1ci5 s LYS 30 CO 0.04 -0.46 0.00 0.94 -0.36 0.00 0.00 175.35 175.51 1ci5 n GLN 31 N 5.31 0.00 -0.81 4.03 7.27 -1.22 -1.89 117.38 130.07 1ci5 n GLN 31 Ca -0.05 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 56.95 1ci5 n GLN 31 Cb 0.50 0.00 0.21 0.00 2.41 0.00 0.00 30.24 33.36 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 13.53 2.86 -4.24 3.69 4.76 -1.26 -4.91 118.16 132.58 1ci5 n LYS 32 Ca 0.00 -2.30 -0.14 0.00 -2.87 0.00 0.00 58.31 53.00 1ci5 n LYS 32 Cb 0.00 -1.97 -0.10 0.00 -1.84 0.00 0.00 35.03 31.12 1ci5 n LYS 32 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1ci5 s ASP 33 N -0.65 0.61 0.04 4.39 2.15 -0.79 -5.16 116.67 117.25 1ci5 s ASP 33 Ca 0.42 -1.45 -0.00 0.00 0.43 0.00 0.00 52.55 51.94 1ci5 s ASP 33 Cb 0.34 0.37 -0.04 0.00 -0.30 0.00 0.00 42.92 43.29 1ci5 s ASP 33 CO 0.10 -0.86 0.17 -0.54 -0.17 0.00 0.00 175.17 173.87 1ci5 s LYS 34 N -4.02 3.31 0.00 4.34 1.02 -1.26 -0.59 119.74 122.53 1ci5 s LYS 34 Ca 0.39 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 55.91 1ci5 s LYS 34 Cb 0.06 -2.98 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 1ci5 s LYS 34 CO 0.15 0.62 0.00 0.28 -0.92 0.00 0.00 175.35 175.48 1ci5 n VAL 35 N 0.53 0.00 -4.18 3.17 0.31 0.15 -3.84 118.33 114.48 1ci5 n VAL 35 Ca -0.08 0.44 -0.11 0.00 -0.01 0.00 0.00 64.34 64.58 1ci5 n VAL 35 Cb 0.52 -1.44 -0.10 0.00 -0.91 0.00 0.00 33.84 31.91 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 -2.87 1.02 -0.20 3.52 0.00 -0.81 0.09 121.76 122.52 1ci5 s ALA 36 Ca 0.00 -1.39 -0.09 0.00 0.00 0.00 0.00 51.96 50.48 1ci5 s ALA 36 Cb 0.00 0.24 0.08 0.00 0.00 0.00 0.00 23.12 23.44 1ci5 s ALA 36 CO 0.00 -0.26 0.44 -2.00 0.00 0.00 0.00 175.76 173.94 1ci5 s GLU 37 N -3.86 0.39 -0.11 0.00 2.12 -0.27 0.58 118.70 117.55 1ci5 s GLU 37 Ca 0.14 0.96 -0.02 0.00 0.36 0.00 0.00 54.97 56.41 1ci5 s GLU 37 Cb 0.06 0.18 -0.03 0.00 0.26 0.00 0.00 34.13 34.60 1ci5 s GLU 37 CO -0.03 -0.20 -0.04 -1.17 -0.54 0.00 0.00 175.26 173.28 1ci5 s LEU 38 N 2.03 3.32 -0.25 2.70 2.96 0.33 -2.27 118.68 127.50 1ci5 s LEU 38 Ca -0.06 -0.03 -0.31 0.00 -0.22 0.00 0.00 54.13 53.52 1ci5 s LEU 38 Cb -0.10 -1.77 0.17 0.00 0.50 0.00 0.00 46.19 44.99 1ci5 s LEU 38 CO -0.13 0.28 1.27 -1.83 -1.32 0.00 0.00 176.35 174.61 1ci5 s GLU 39 N -0.29 0.20 -1.46 1.98 -1.05 -0.06 -1.91 118.70 116.12 1ci5 s GLU 39 Ca 0.05 0.02 -0.09 0.00 -0.15 0.00 0.00 54.97 54.80 1ci5 s GLU 39 Cb -0.13 0.09 0.06 0.00 -0.44 0.00 0.00 34.13 33.72 1ci5 s GLU 39 CO 0.02 -0.07 0.87 0.09 0.95 0.00 0.00 175.26 177.12 1ci5 n ASN 40 N 0.44 -3.46 -2.04 0.83 4.13 -1.26 -0.39 115.26 113.51 1ci5 n ASN 40 Ca -0.02 -0.80 -0.15 0.00 1.68 0.00 0.00 54.58 55.29 1ci5 n ASN 40 Cb 0.58 -3.90 -0.03 0.00 -1.54 0.00 0.00 39.78 34.89 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 -2.91 -4.32 -3.95 6.41 3.41 -1.26 -4.94 113.62 106.06 1ci5 n SER 41 Ca -0.08 0.22 -0.18 0.00 -0.26 0.00 0.00 58.87 58.57 1ci5 n SER 41 Cb 0.58 -3.75 -0.15 0.00 -0.26 0.00 0.00 64.21 60.62 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 -4.35 0.63 0.00 4.33 -6.30 0.48 -5.15 118.70 108.34 1ci5 s GLU 42 Ca 0.00 -0.19 0.05 0.00 -2.50 0.00 0.00 54.97 52.33 1ci5 s GLU 42 Cb 0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 34.13 33.48 1ci5 s GLU 42 CO 0.00 0.07 -0.15 0.12 0.02 0.00 0.00 175.26 175.32 1ci5 s PHE 43 N 0.21 2.66 -0.25 5.30 5.36 -1.26 -0.88 117.98 129.12 1ci5 s PHE 43 Ca -0.02 -0.19 -0.26 0.00 -0.96 0.00 0.00 56.93 55.50 1ci5 s PHE 43 Cb -0.07 -1.55 0.08 0.00 -0.34 0.00 0.00 43.02 41.14 1ci5 s PHE 43 CO -0.00 0.24 0.76 0.50 -1.46 0.00 0.00 175.22 175.26 1ci5 s ARG 44 N -1.17 0.81 0.22 10.12 3.00 -0.96 -5.03 118.95 125.94 1ci5 s ARG 44 Ca 0.14 0.87 0.07 0.00 -1.00 0.00 0.00 55.73 55.81 1ci5 s ARG 44 Cb -0.11 0.39 -0.04 0.00 0.00 0.00 0.00 34.95 35.20 1ci5 s ARG 44 CO 0.04 -0.11 0.12 0.00 0.00 0.00 0.00 175.30 175.34 1ci5 s ALA 45 N 0.21 3.44 0.00 6.12 0.00 -1.26 -1.11 121.76 129.16 1ci5 s ALA 45 Ca -0.00 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.54 1ci5 s ALA 45 Cb -0.05 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 21.91 1ci5 s ALA 45 CO 0.01 0.34 0.00 1.19 0.00 0.00 0.00 175.76 177.30 1ci5 n PHE 46 N -0.79 -0.47 -2.29 0.00 3.01 0.11 -4.36 117.46 112.68 1ci5 n PHE 46 Ca -0.08 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.31 1ci5 n PHE 46 Cb 0.57 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.03 1ci5 n PHE 46 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1ci5 n SER 47 N -0.92 -2.61 -1.28 4.37 2.88 -1.25 0.10 113.62 114.91 1ci5 n SER 47 Ca 0.00 0.30 -0.17 0.00 -1.33 0.00 0.00 58.87 57.67 1ci5 n SER 47 Cb 0.00 -2.33 -0.07 0.00 -0.75 0.00 0.00 64.21 61.06 1ci5 n SER 47 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ci5 n SER 48 N -1.42 -5.20 0.15 -3.46 7.64 -1.26 -4.85 113.62 105.21 1ci5 n SER 48 Ca -0.08 0.41 0.01 0.00 1.01 0.00 0.00 58.87 60.22 1ci5 n SER 48 Cb 0.52 -4.17 0.17 0.00 -1.01 0.00 0.00 64.21 59.72 1ci5 n SER 48 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1ci5 h PHE 49 N 0.00 0.00 -2.47 1.43 0.04 0.38 -3.46 116.94 112.86 1ci5 h PHE 49 Ca -0.34 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 59.86 1ci5 h PHE 49 Cb 1.15 0.00 0.20 0.00 2.20 0.00 0.00 35.95 39.51 1ci5 h PHE 49 CO 0.51 0.56 -1.11 0.36 -0.60 0.00 0.00 178.31 178.03 1ci5 n LYS 50 N -3.52 0.07 -0.98 1.51 2.85 -1.26 -1.71 118.16 115.13 1ci5 n LYS 50 Ca -0.00 0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.30 1ci5 n LYS 50 Cb 0.65 -1.31 0.00 0.00 -0.65 0.00 0.00 35.03 33.71 1ci5 n LYS 50 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1ci5 n ASN 51 N 1.69 -4.17 -0.54 -5.58 5.15 -1.26 -4.70 115.26 105.84 1ci5 n ASN 51 Ca 0.05 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 54.03 1ci5 n ASN 51 Cb 0.51 -2.01 -0.00 0.00 -0.53 0.00 0.00 39.78 37.75 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 -1.00 0.00 -4.16 1.20 1.74 -0.69 -5.10 116.66 108.65 1ci5 n ARG 52 Ca 0.00 -0.57 -0.17 0.00 -0.77 0.00 0.00 57.85 56.34 1ci5 n ARG 52 Cb 0.24 -0.23 -0.12 0.00 -1.02 0.00 0.00 32.46 31.33 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 0.99 -0.40 1.55 -7.23 -1.24 -2.50 120.40 111.57 1ci5 s VAL 53 Ca 0.01 -1.36 0.01 0.00 -1.81 0.00 0.00 61.98 58.83 1ci5 s VAL 53 Cb 0.01 -1.07 0.14 0.00 0.56 0.00 0.00 36.38 36.02 1ci5 s VAL 53 CO -0.00 -0.33 0.24 -0.31 -0.31 0.00 0.00 175.10 174.38 1ci5 s TYR 54 N -1.59 1.29 -0.15 2.82 2.02 0.30 -4.96 117.35 117.09 1ci5 s TYR 54 Ca -0.01 -2.04 -0.24 0.00 -0.37 0.00 0.00 57.07 54.41 1ci5 s TYR 54 Cb -0.08 -1.31 -0.02 0.00 -0.40 0.00 0.00 41.96 40.14 1ci5 s TYR 54 CO 0.02 -0.80 0.76 -1.17 -1.57 0.00 0.00 175.55 172.79 1ci5 s LEU 55 N 0.63 4.20 0.07 -1.29 2.96 -1.26 0.11 118.68 124.10 1ci5 s LEU 55 Ca 0.20 1.12 -0.31 0.00 -0.22 0.00 0.00 54.13 54.92 1ci5 s LEU 55 Cb -0.20 -3.14 -0.07 0.00 0.50 0.00 0.00 46.19 43.28 1ci5 s LEU 55 CO -0.02 -0.31 1.40 -0.62 -1.32 0.00 0.00 176.35 175.48 1ci5 s ASP 56 N 1.08 6.84 -0.61 3.68 2.15 0.37 -4.91 116.67 125.27 1ci5 s ASP 56 Ca 0.36 2.24 -0.05 0.00 0.43 0.00 0.00 52.55 55.53 1ci5 s ASP 56 Cb -0.17 -2.57 -0.00 0.00 -0.30 0.00 0.00 42.92 39.87 1ci5 s ASP 56 CO 0.14 -0.68 2.88 1.07 -0.17 0.00 0.00 175.17 178.41 1ci5 n THR 57 N 4.26 3.70 0.00 1.71 5.66 -1.26 -3.11 114.28 125.23 1ci5 n THR 57 Ca 0.12 -2.93 0.00 0.00 -3.05 0.00 0.00 64.05 58.19 1ci5 n THR 57 Cb 0.43 -1.83 0.00 0.00 -1.55 0.00 0.00 70.33 67.38 1ci5 n THR 57 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1ci5 n LYS 58 N 1.53 0.00 -0.20 1.09 0.00 -1.26 -4.92 118.16 114.40 1ci5 n LYS 58 Ca 0.52 0.00 0.09 0.00 0.00 0.00 0.00 58.31 58.93 1ci5 n LYS 58 Cb 0.55 0.00 0.20 0.00 0.00 0.00 0.00 35.03 35.77 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 -2.15 3.23 0.00 3.14 2.88 -1.26 0.71 113.62 120.18 1ci5 n SER 59 Ca 0.00 -1.93 0.00 0.00 -1.33 0.00 0.00 58.87 55.61 1ci5 n SER 59 Cb 0.00 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 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 1.17 1.47 3.67 0.46 0.00 -1.18 -4.52 105.19 106.26 1ci5 n GLY 60 Ca 0.17 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.66 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 2.62 -4.85 1.61 7.64 -1.26 -4.54 113.62 114.84 1ci5 n SER 61 Ca 0.00 1.06 -0.37 0.00 1.01 0.00 0.00 58.87 60.56 1ci5 n SER 61 Cb 0.00 -1.25 -0.06 0.00 -1.01 0.00 0.00 64.21 61.89 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 2.76 4.42 -0.27 -3.43 2.96 -0.89 0.14 118.68 124.37 1ci5 s LEU 62 Ca 0.92 0.67 0.01 0.00 -0.22 0.00 0.00 54.13 55.50 1ci5 s LEU 62 Cb -0.89 -2.29 0.08 0.00 0.50 0.00 0.00 46.19 43.58 1ci5 s LEU 62 CO 0.55 0.36 0.01 -0.89 -1.32 0.00 0.00 176.35 175.05 1ci5 s THR 63 N -0.96 1.41 0.43 3.68 2.01 0.29 0.18 115.64 122.69 1ci5 s THR 63 Ca 0.18 -1.39 -0.17 0.00 0.31 0.00 0.00 61.69 60.63 1ci5 s THR 63 Cb -0.14 -1.85 -0.09 0.00 0.01 0.00 0.00 72.50 70.43 1ci5 s THR 63 CO 0.08 -0.33 0.88 -0.63 -0.69 0.00 0.00 174.62 173.93 1ci5 s ILE 64 N 1.40 4.56 0.09 1.82 1.01 0.10 0.11 121.20 130.29 1ci5 s ILE 64 Ca 0.01 1.15 0.08 0.00 0.00 0.00 0.00 60.65 61.89 1ci5 s ILE 64 Cb -0.18 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 1ci5 s ILE 64 CO -0.11 -0.44 -0.22 -0.31 0.00 0.00 0.00 174.94 173.87 1ci5 s TYR 65 N -2.30 1.86 -0.16 3.97 1.51 -1.04 -2.35 117.35 118.84 1ci5 s TYR 65 Ca 0.58 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 56.20 1ci5 s TYR 65 Cb -0.10 -1.05 0.01 0.00 -0.11 0.00 0.00 41.96 40.72 1ci5 s TYR 65 CO 0.22 0.19 0.07 0.09 -1.11 0.00 0.00 175.55 175.01 1ci5 n ASN 66 N 1.29 -5.59 -4.97 2.29 4.13 -0.42 -4.87 115.26 107.13 1ci5 n ASN 66 Ca -0.19 1.12 -0.21 0.00 1.68 0.00 0.00 54.58 56.98 1ci5 n ASN 66 Cb 0.53 -3.92 -0.00 0.00 -1.54 0.00 0.00 39.78 34.84 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 -0.98 3.96 0.00 3.41 1.43 -1.21 -4.77 118.68 120.51 1ci5 s LEU 67 Ca -0.08 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1ci5 s LEU 67 Cb 0.01 -2.98 0.00 0.00 0.03 0.00 0.00 46.19 43.24 1ci5 s LEU 67 CO 0.50 -0.42 0.00 0.35 0.23 0.00 0.00 176.35 177.01 1ci5 n THR 68 N -1.74 0.00 0.22 5.49 -2.24 -1.26 -1.73 114.28 113.02 1ci5 n THR 68 Ca -0.02 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.88 1ci5 n THR 68 Cb 0.57 0.00 0.24 0.00 -2.10 0.00 0.00 70.33 69.04 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 1.53 3.42 0.87 -1.98 -3.06 113.55 114.32 1ci5 h SER 69 Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 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 0.04 -0.48 -1.28 -0.53 0.00 0.00 176.83 174.58 1ci5 h SER 70 N 0.00 0.00 0.77 6.23 0.87 -2.00 -3.22 113.55 116.20 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 0.96 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1ci5 h SER 70 CO 0.01 0.16 0.00 0.44 -0.53 0.00 0.00 176.83 176.91 1ci5 h ASP 71 N 0.00 0.00 -0.03 6.23 5.19 -1.92 -3.36 116.42 122.53 1ci5 h ASP 71 Ca -0.02 0.00 -0.65 0.00 -0.62 0.00 0.00 57.03 55.75 1ci5 h ASP 71 Cb 1.14 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.68 1ci5 h ASP 71 CO 0.02 0.00 2.36 1.21 -3.12 0.00 0.00 179.24 179.70 1ci5 n GLU 72 N -3.00 1.70 -4.16 3.56 0.00 -1.22 -4.72 120.64 112.79 1ci5 n GLU 72 Ca -0.00 -1.99 -0.11 0.00 0.00 0.00 0.00 57.16 55.07 1ci5 n GLU 72 Cb 0.25 -3.01 -0.10 0.00 0.00 0.00 0.00 31.44 28.58 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 4.82 0.24 -0.29 4.31 1.11 -0.95 -4.89 116.67 121.02 1ci5 s ASP 73 Ca 0.57 -1.27 -0.24 0.00 0.18 0.00 0.00 52.55 51.79 1ci5 s ASP 73 Cb 0.14 0.33 -0.00 0.00 1.07 0.00 0.00 42.92 44.46 1ci5 s ASP 73 CO 0.09 -0.78 0.79 -0.70 1.18 0.00 0.00 175.17 175.75 1ci5 s GLU 74 N -4.09 4.00 0.16 8.23 2.12 -1.26 -1.60 118.70 126.26 1ci5 s GLU 74 Ca 0.30 0.65 -0.07 0.00 0.36 0.00 0.00 54.97 56.21 1ci5 s GLU 74 Cb 0.07 -3.71 -0.06 0.00 0.26 0.00 0.00 34.13 30.69 1ci5 s GLU 74 CO 0.06 -0.65 0.43 0.71 -0.54 0.00 0.00 175.26 175.27 1ci5 s TYR 75 N 2.93 3.47 -0.10 5.30 1.51 -0.11 -3.40 117.35 126.96 1ci5 s TYR 75 Ca 0.33 0.66 0.01 0.00 -1.01 0.00 0.00 57.07 57.06 1ci5 s TYR 75 Cb -0.14 -2.09 0.02 0.00 -0.11 0.00 0.00 41.96 39.64 1ci5 s TYR 75 CO 0.12 0.40 -0.10 -2.00 -1.11 0.00 0.00 175.55 172.85 1ci5 s GLU 76 N -2.63 1.67 0.19 -0.62 2.12 0.24 -1.01 118.70 118.65 1ci5 s GLU 76 Ca 0.42 -0.34 0.04 0.00 0.36 0.00 0.00 54.97 55.46 1ci5 s GLU 76 Cb -0.12 -1.58 -0.03 0.00 0.26 0.00 0.00 34.13 32.65 1ci5 s GLU 76 CO 0.23 -0.17 0.25 0.00 -0.54 0.00 0.00 175.26 175.03 1ci5 s MET 77 N 1.34 3.22 -0.13 4.30 0.23 0.07 0.13 119.30 128.47 1ci5 s MET 77 Ca -0.02 -0.77 -0.06 0.00 -1.03 0.00 0.00 55.69 53.82 1ci5 s MET 77 Cb -0.14 -2.80 0.06 0.00 -1.53 0.00 0.00 34.83 30.42 1ci5 s MET 77 CO -0.05 0.47 0.28 -1.21 -2.03 0.00 0.00 175.02 172.49 1ci5 s GLU 78 N -3.44 0.21 -0.02 3.16 0.41 0.28 -2.47 118.70 116.84 1ci5 s GLU 78 Ca 0.33 0.67 -0.00 0.00 -0.41 0.00 0.00 54.97 55.55 1ci5 s GLU 78 Cb -0.10 -0.06 0.02 0.00 -1.78 0.00 0.00 34.13 32.21 1ci5 s GLU 78 CO 0.27 -0.21 0.03 0.45 -0.49 0.00 0.00 175.26 175.31 1ci5 s SER 79 N 1.77 0.02 0.27 -0.19 0.15 -1.26 -0.01 113.70 114.45 1ci5 s SER 79 Ca -0.05 0.05 -0.01 0.00 0.70 0.00 0.00 55.95 56.65 1ci5 s SER 79 Cb -0.11 -0.01 0.50 0.00 -1.71 0.00 0.00 66.02 64.69 1ci5 s SER 79 CO -0.09 -0.08 1.83 -0.65 1.20 0.00 0.00 173.24 175.44 1ci5 h PRO 80 N 6.81 0.90 -0.04 5.44 0.11 -1.93 -0.29 132.00 143.00 1ci5 h PRO 80 Ca -0.37 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.54 1ci5 h PRO 80 Cb 1.16 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1ci5 h PRO 80 CO 0.48 0.59 -0.64 -0.91 -0.21 0.00 0.00 178.00 177.32 1ci5 h ASN 81 N 0.93 0.17 -4.06 -2.05 2.35 -1.97 -3.45 115.58 107.50 1ci5 h ASN 81 Ca 0.46 -0.10 -0.54 0.00 -0.55 0.00 0.00 56.30 55.58 1ci5 h ASN 81 Cb 0.45 -0.05 0.19 0.00 0.05 0.00 0.00 38.32 38.95 1ci5 h ASN 81 CO -0.26 0.76 0.19 -0.38 -1.65 0.00 0.00 177.43 176.09 1ci5 n ILE 82 N -3.82 1.63 -0.22 2.81 2.08 -0.12 -4.91 119.36 116.81 1ci5 n ILE 82 Ca -0.02 -0.20 -0.06 0.00 0.56 0.00 0.00 62.75 63.03 1ci5 n ILE 82 Cb 0.64 -1.09 0.04 0.00 -0.75 0.00 0.00 39.64 38.48 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 -1.02 1.17 0.00 1.39 2.02 -1.87 -3.46 112.91 111.13 1ci5 h THR 83 Ca -0.46 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.41 1ci5 h THR 83 Cb 1.30 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1ci5 h THR 83 CO 0.44 0.16 0.00 -0.67 0.37 0.00 0.00 175.52 175.82 1ci5 n ASP 84 N -4.64 0.00 -3.60 4.18 -0.08 -1.26 -5.13 116.55 106.02 1ci5 n ASP 84 Ca 0.05 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.29 1ci5 n ASP 84 Cb 0.02 0.21 -0.02 0.00 2.34 0.00 0.00 41.12 43.68 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 0.65 -0.17 0.08 1.67 1.04 -1.26 -4.34 113.70 111.36 1ci5 s SER 85 Ca 0.00 -0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.37 1ci5 s SER 85 Cb 0.00 0.24 -0.03 0.00 0.10 0.00 0.00 66.02 66.33 1ci5 s SER 85 CO 0.00 -0.42 -0.08 -0.04 0.98 0.00 0.00 173.24 173.68 1ci5 s MET 86 N -2.68 0.72 -0.38 4.02 -1.94 -1.03 -4.98 119.30 113.02 1ci5 s MET 86 Ca 0.10 -1.07 0.01 0.00 -1.71 0.00 0.00 55.69 53.02 1ci5 s MET 86 Cb 0.00 -0.32 0.12 0.00 2.01 0.00 0.00 34.83 36.65 1ci5 s MET 86 CO -0.04 0.03 0.18 0.15 -0.01 0.00 0.00 175.02 175.33 1ci5 s LYS 87 N -2.72 1.04 -0.22 2.03 3.01 -1.26 -0.75 119.74 120.87 1ci5 s LYS 87 Ca 0.02 -1.63 -0.20 0.00 -1.01 0.00 0.00 55.97 53.16 1ci5 s LYS 87 Cb -0.03 -2.16 -0.03 0.00 -1.01 0.00 0.00 37.83 34.60 1ci5 s LYS 87 CO -0.02 -1.10 0.58 -0.06 0.51 0.00 0.00 175.35 175.27 1ci5 s PHE 88 N 0.86 3.34 -0.28 3.18 0.40 -0.18 -3.28 117.98 122.02 1ci5 s PHE 88 Ca 0.15 0.82 -0.24 0.00 -0.60 0.00 0.00 56.93 57.06 1ci5 s PHE 88 Cb -0.22 -2.76 -0.00 0.00 0.51 0.00 0.00 43.02 40.55 1ci5 s PHE 88 CO -0.09 -0.20 0.81 0.12 0.70 0.00 0.00 175.22 176.56 1ci5 s PHE 89 N 2.02 3.24 -0.17 0.36 2.19 0.54 -0.93 117.98 125.23 1ci5 s PHE 89 Ca 0.26 0.94 -0.14 0.00 0.33 0.00 0.00 56.93 58.31 1ci5 s PHE 89 Cb -0.16 -3.17 -0.04 0.00 -1.31 0.00 0.00 43.02 38.34 1ci5 s PHE 89 CO 0.10 -0.51 0.32 -1.17 1.83 0.00 0.00 175.22 175.78 1ci5 s LEU 90 N 2.94 4.23 -0.17 6.12 2.96 -0.63 0.13 118.68 134.26 1ci5 s LEU 90 Ca 0.34 0.51 -0.01 0.00 -0.22 0.00 0.00 54.13 54.75 1ci5 s LEU 90 Cb -0.14 -2.41 -0.00 0.00 0.50 0.00 0.00 46.19 44.14 1ci5 s LEU 90 CO 0.11 0.06 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.76 1ci5 s TYR 91 N 0.64 2.83 -0.17 5.38 2.02 -0.90 -2.23 117.35 124.91 1ci5 s TYR 91 Ca 0.17 -1.05 -0.16 0.00 -0.37 0.00 0.00 57.07 55.66 1ci5 s TYR 91 Cb -0.13 -1.95 -0.04 0.00 -0.40 0.00 0.00 41.96 39.44 1ci5 s TYR 91 CO 0.05 -0.51 0.39 0.08 -1.57 0.00 0.00 175.55 173.99 1ci5 s VAL 92 N 1.00 5.22 0.44 0.71 1.01 -1.26 -0.42 120.40 127.11 1ci5 s VAL 92 Ca -0.01 0.71 0.03 0.00 0.00 0.00 0.00 61.98 62.71 1ci5 s VAL 92 Cb -0.15 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1ci5 s VAL 92 CO -0.02 0.30 0.04 -0.83 0.00 0.00 0.00 175.10 174.59 1ci5 s GLY 93 N 0.82 2.72 -0.03 4.51 0.00 0.24 -4.91 107.32 110.66 1ci5 s GLY 93 Ca 0.20 -1.13 -0.07 0.00 0.00 0.00 0.00 44.72 43.71 1ci5 s GLY 93 CO 0.07 -2.04 0.71 0.83 0.00 0.00 0.00 173.10 172.68 1ci5 h GLU 94 N 1.63 0.32 0.00 2.90 4.39 -1.95 0.48 114.58 122.35 1ci5 h GLU 94 Ca -0.41 -0.55 0.00 0.00 0.34 0.00 0.00 59.36 58.74 1ci5 h GLU 94 Cb 1.28 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 30.14 1ci5 h GLU 94 CO 0.70 1.21 0.00 -1.13 -1.16 0.00 0.00 179.01 178.63