#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 -3.93 -3.74 6.43 7.64 -1.26 -4.86 113.62 113.91 1ci5 n SER 2 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 1ci5 n SER 2 Cb 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.05 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 0.00 0.09 0.01 1.43 2.00 -1.24 -5.05 119.66 116.90 1ci5 s GLN 3 Ca 0.00 0.40 -0.08 0.00 -2.00 0.00 0.00 55.36 53.68 1ci5 s GLN 3 Cb 0.00 -0.19 -0.05 0.00 0.80 0.00 0.00 33.01 33.57 1ci5 s GLN 3 CO 0.00 -0.18 0.30 -1.14 -0.50 0.00 0.00 175.29 173.76 1ci5 s GLN 4 N 1.31 3.63 -0.03 1.67 0.74 -1.26 -0.09 119.66 125.63 1ci5 s GLN 4 Ca -0.08 0.00 0.06 0.00 0.05 0.00 0.00 55.36 55.40 1ci5 s GLN 4 Cb -0.12 -3.08 -0.01 0.00 1.10 0.00 0.00 33.01 30.90 1ci5 s GLN 4 CO -0.06 0.64 -0.22 0.42 -0.55 0.00 0.00 175.29 175.52 1ci5 s ILE 5 N -1.29 1.75 -0.22 -2.34 -1.09 0.44 -4.88 121.20 113.57 1ci5 s ILE 5 Ca 0.27 -0.93 -0.14 0.00 -2.23 0.00 0.00 60.65 57.63 1ci5 s ILE 5 Cb -0.13 -1.47 -0.04 0.00 -1.58 0.00 0.00 42.46 39.23 1ci5 s ILE 5 CO 0.16 0.49 0.31 -0.31 -1.23 0.00 0.00 174.94 174.36 1ci5 s TYR 6 N -0.34 3.33 0.39 3.97 1.51 -1.26 -0.55 117.35 124.40 1ci5 s TYR 6 Ca 0.04 0.45 0.03 0.00 -1.01 0.00 0.00 57.07 56.58 1ci5 s TYR 6 Cb -0.10 -2.44 -0.04 0.00 -0.11 0.00 0.00 41.96 39.27 1ci5 s TYR 6 CO 0.01 -0.02 0.09 0.20 -1.11 0.00 0.00 175.55 174.72 1ci5 s GLY 7 N 1.14 2.46 -0.06 0.71 0.00 0.33 -4.91 107.32 107.00 1ci5 s GLY 7 Ca 0.14 -1.44 -0.05 0.00 0.00 0.00 0.00 44.72 43.37 1ci5 s GLY 7 CO 0.07 -1.86 0.15 -1.34 0.00 0.00 0.00 173.10 170.12 1ci5 s VAL 8 N -3.21 0.00 0.29 1.40 -7.23 -1.26 -0.27 120.40 110.12 1ci5 s VAL 8 Ca 0.26 -0.03 -0.28 0.00 -1.81 0.00 0.00 61.98 60.13 1ci5 s VAL 8 Cb 0.05 -0.23 -0.14 0.00 0.56 0.00 0.00 36.38 36.62 1ci5 s VAL 8 CO 0.14 -0.01 0.97 0.29 -0.31 0.00 0.00 175.10 176.17 1ci5 n LYS 9 N 2.94 1.24 -1.84 4.82 4.76 0.35 -0.18 118.16 130.24 1ci5 n LYS 9 Ca -0.13 0.44 -0.21 0.00 -2.87 0.00 0.00 58.31 55.54 1ci5 n LYS 9 Cb 0.59 -1.78 -0.07 0.00 -1.84 0.00 0.00 35.03 31.93 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 0.17 -0.30 -4.28 2.13 4.01 -0.12 -4.77 117.16 114.01 1ci5 n TYR 10 Ca 0.10 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.72 1ci5 n TYR 10 Cb 0.32 -3.65 -0.03 0.00 -0.31 0.00 0.00 39.34 35.68 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 -0.58 3.94 3.45 2.72 0.00 0.74 -4.71 105.19 110.75 1ci5 n GLY 11 Ca -0.22 -2.24 -0.23 0.00 0.00 0.00 0.00 46.02 43.33 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 -2.06 3.35 -0.01 1.61 2.20 -1.26 -0.80 114.94 117.96 1ci5 s ASN 12 Ca 0.01 -1.05 -0.29 0.00 -0.94 0.00 0.00 52.86 50.58 1ci5 s ASN 12 Cb 0.00 -0.26 0.07 0.00 -2.00 0.00 0.00 41.25 39.06 1ci5 s ASN 12 CO 0.01 -0.05 0.66 0.68 -2.94 0.00 0.00 177.10 175.45 1ci5 s VAL 13 N -2.65 0.00 0.02 3.54 -7.23 -0.87 -4.71 120.40 108.52 1ci5 s VAL 13 Ca 0.29 -0.01 0.07 0.00 -1.81 0.00 0.00 61.98 60.51 1ci5 s VAL 13 Cb -0.03 -0.99 -0.02 0.00 0.56 0.00 0.00 36.38 35.90 1ci5 s VAL 13 CO 0.13 -0.01 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.81 1ci5 s THR 14 N -1.65 1.71 -0.64 5.32 2.01 -1.26 -0.53 115.64 120.60 1ci5 s THR 14 Ca -0.09 -1.11 -0.05 0.00 0.31 0.00 0.00 61.69 60.75 1ci5 s THR 14 Cb -0.00 -1.46 0.17 0.00 0.01 0.00 0.00 72.50 71.21 1ci5 s THR 14 CO 0.06 0.32 0.48 -0.36 -0.69 0.00 0.00 174.62 174.42 1ci5 s PHE 15 N -0.69 3.48 0.46 4.92 0.40 0.48 -4.96 117.98 122.06 1ci5 s PHE 15 Ca 0.08 -2.53 -0.24 0.00 -0.60 0.00 0.00 56.93 53.64 1ci5 s PHE 15 Cb -0.09 -3.32 -0.07 0.00 0.51 0.00 0.00 43.02 40.05 1ci5 s PHE 15 CO 0.01 -0.88 1.31 -1.01 0.70 0.00 0.00 175.22 175.35 1ci5 s HIS 16 N 0.12 2.63 -0.13 0.36 3.76 -1.26 -2.47 115.29 118.29 1ci5 s HIS 16 Ca 0.16 1.40 0.00 0.00 -0.15 0.00 0.00 55.06 56.48 1ci5 s HIS 16 Cb -0.19 -3.68 0.02 0.00 1.11 0.00 0.00 32.58 29.84 1ci5 s HIS 16 CO -0.04 -2.32 -0.12 0.08 -0.85 0.00 0.00 174.74 171.49 1ci5 s VAL 17 N -1.32 1.35 -1.23 -0.90 1.01 -1.26 -4.98 120.40 113.07 1ci5 s VAL 17 Ca 0.63 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 62.02 1ci5 s VAL 17 Cb -0.38 -1.29 -0.13 0.00 0.00 0.00 0.00 36.38 34.58 1ci5 s VAL 17 CO 0.47 0.42 3.11 -0.81 0.00 0.00 0.00 175.10 178.29 1ci5 n PRO 18 N 4.75 3.27 0.06 2.72 -0.04 -1.26 -4.41 135.00 140.08 1ci5 n PRO 18 Ca -0.16 -1.90 -0.01 0.00 -0.04 0.00 0.00 63.50 61.39 1ci5 n PRO 18 Cb 0.50 -2.60 -0.06 0.00 -0.04 0.00 0.00 33.50 31.30 1ci5 n PRO 18 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1ci5 h SER 19 N 4.55 0.00 0.00 3.54 0.87 -1.97 -3.48 113.55 117.06 1ci5 h SER 19 Ca 0.71 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.27 1ci5 h SER 19 Cb 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1ci5 h SER 19 CO 1.41 0.67 0.00 -3.20 -0.53 0.00 0.00 176.83 175.18 1ci5 n ASN 20 N -3.07 0.00 -4.73 6.23 5.15 -1.26 -4.84 115.26 112.74 1ci5 n ASN 20 Ca -0.06 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.62 1ci5 n ASN 20 Cb 0.85 0.00 0.13 0.00 -0.53 0.00 0.00 39.78 40.23 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 0.00 1.52 -0.33 1.20 -0.21 -1.26 -4.93 119.66 115.65 1ci5 s GLN 21 Ca 0.00 0.98 -0.29 0.00 0.02 0.00 0.00 55.36 56.07 1ci5 s GLN 21 Cb 0.00 -1.83 -0.01 0.00 1.00 0.00 0.00 33.01 32.18 1ci5 s GLN 21 CO 0.00 -2.10 1.55 -1.25 -2.12 0.00 0.00 175.29 171.37 1ci5 s PRO 22 N -4.89 3.61 -0.69 2.91 0.04 -1.26 -4.63 135.00 130.09 1ci5 s PRO 22 Ca 0.63 1.27 -0.27 0.00 0.04 0.00 0.00 61.00 62.67 1ci5 s PRO 22 Cb -0.18 -4.05 0.03 0.00 0.04 0.00 0.00 34.50 30.33 1ci5 s PRO 22 CO 0.57 -1.52 1.28 -0.51 0.04 0.00 0.00 177.00 176.86 1ci5 s LEU 23 N 5.63 3.24 0.04 -3.56 1.43 -0.58 -4.83 118.68 120.05 1ci5 s LEU 23 Ca 0.68 -0.26 0.09 0.00 -1.03 0.00 0.00 54.13 53.61 1ci5 s LEU 23 Cb -0.19 -2.72 -0.22 0.00 0.03 0.00 0.00 46.19 43.08 1ci5 s LEU 23 CO 0.31 -1.77 0.98 0.11 0.23 0.00 0.00 176.35 176.21 1ci5 h LYS 24 N 10.12 0.01 -4.17 1.70 1.57 -1.93 -3.41 116.57 120.46 1ci5 h LYS 24 Ca -0.27 -0.02 -0.62 0.00 -1.87 0.00 0.00 60.65 57.87 1ci5 h LYS 24 Cb 1.06 0.01 -0.40 0.00 0.08 0.00 0.00 32.23 32.98 1ci5 h LYS 24 CO 1.25 0.78 -0.75 -2.00 -0.57 0.00 0.00 179.45 178.16 1ci5 s GLU 25 N -2.65 1.22 0.23 3.15 2.12 -1.26 0.11 118.70 121.61 1ci5 s GLU 25 Ca -0.02 -1.34 0.08 0.00 0.36 0.00 0.00 54.97 54.05 1ci5 s GLU 25 Cb 0.09 -2.59 -0.05 0.00 0.26 0.00 0.00 34.13 31.84 1ci5 s GLU 25 CO 0.82 -0.87 -0.15 0.54 -0.54 0.00 0.00 175.26 175.07 1ci5 s VAL 26 N 1.30 1.88 -0.17 3.70 0.11 -0.58 -3.82 120.40 122.82 1ci5 s VAL 26 Ca 0.06 -2.24 -0.05 0.00 -2.93 0.00 0.00 61.98 56.81 1ci5 s VAL 26 Cb -0.18 -2.14 0.08 0.00 -1.53 0.00 0.00 36.38 32.60 1ci5 s VAL 26 CO -0.14 -0.52 0.33 -0.22 -3.33 0.00 0.00 175.10 171.22 1ci5 s LEU 27 N -3.37 -0.46 -0.13 2.54 2.96 0.87 0.12 118.68 121.22 1ci5 s LEU 27 Ca 0.25 0.70 -0.05 0.00 -0.22 0.00 0.00 54.13 54.81 1ci5 s LEU 27 Cb -0.01 0.98 -0.04 0.00 0.50 0.00 0.00 46.19 47.63 1ci5 s LEU 27 CO 0.09 -0.24 0.04 0.26 -1.32 0.00 0.00 176.35 175.17 1ci5 s TRP 28 N 2.50 3.24 0.17 5.38 0.52 0.83 0.11 118.94 131.69 1ci5 s TRP 28 Ca 0.01 0.15 0.08 0.00 0.02 0.00 0.00 56.10 56.36 1ci5 s TRP 28 Cb -0.12 -1.93 -0.04 0.00 -1.15 0.00 0.00 33.47 30.23 1ci5 s TRP 28 CO -0.11 0.35 -0.18 0.15 0.02 0.00 0.00 176.95 177.18 1ci5 s LYS 29 N -0.35 1.27 -0.16 4.98 3.01 0.37 -1.10 119.74 127.77 1ci5 s LYS 29 Ca 0.08 -1.41 -0.04 0.00 -1.01 0.00 0.00 55.97 53.59 1ci5 s LYS 29 Cb -0.12 -1.31 0.06 0.00 -1.01 0.00 0.00 37.83 35.45 1ci5 s LYS 29 CO 0.02 0.26 0.10 0.21 0.51 0.00 0.00 175.35 176.46 1ci5 s LYS 30 N -2.83 0.06 6.56 1.68 2.20 0.20 -0.87 119.74 126.75 1ci5 s LYS 30 Ca 0.16 0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.80 1ci5 s LYS 30 Cb -0.05 -1.55 0.00 0.00 -1.51 0.00 0.00 37.83 34.71 1ci5 s LYS 30 CO 0.06 -0.62 0.00 0.94 -0.36 0.00 0.00 175.35 175.38 1ci5 n GLN 31 N 5.29 0.00 -0.96 4.03 7.27 -1.25 -2.20 117.38 129.55 1ci5 n GLN 31 Ca -0.06 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.88 1ci5 n GLN 31 Cb 0.49 0.00 0.21 0.00 2.41 0.00 0.00 30.24 33.35 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 13.30 2.75 -4.07 3.69 4.01 -1.26 -4.92 118.16 131.67 1ci5 n LYS 32 Ca 0.00 -2.60 -0.07 0.00 -0.51 0.00 0.00 58.31 55.12 1ci5 n LYS 32 Cb 0.00 -2.05 -0.10 0.00 -0.51 0.00 0.00 35.03 32.37 1ci5 n LYS 32 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1ci5 s ASP 33 N -0.87 0.44 0.09 4.39 1.11 -0.94 -5.16 116.67 115.74 1ci5 s ASP 33 Ca 0.48 -0.97 -0.11 0.00 0.18 0.00 0.00 52.55 52.13 1ci5 s ASP 33 Cb 0.39 0.22 -0.06 0.00 1.07 0.00 0.00 42.92 44.54 1ci5 s ASP 33 CO 0.11 -0.62 0.44 -0.54 1.18 0.00 0.00 175.17 175.73 1ci5 s LYS 34 N -3.92 3.83 -0.04 8.23 1.02 -1.26 -0.62 119.74 126.97 1ci5 s LYS 34 Ca 0.07 0.27 -0.05 0.00 0.02 0.00 0.00 55.97 56.29 1ci5 s LYS 34 Cb 0.08 -3.01 -0.02 0.00 -0.52 0.00 0.00 37.83 34.37 1ci5 s LYS 34 CO -0.10 0.56 -0.09 0.28 -0.92 0.00 0.00 175.35 175.08 1ci5 n VAL 35 N 0.98 0.45 -4.20 3.17 0.31 -0.26 -4.60 118.33 114.17 1ci5 n VAL 35 Ca -0.08 0.34 -0.12 0.00 -0.01 0.00 0.00 64.34 64.47 1ci5 n VAL 35 Cb 0.52 -1.66 -0.10 0.00 -0.91 0.00 0.00 33.84 31.69 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 1.15 -0.20 3.52 0.00 -0.94 -1.39 121.76 121.10 1ci5 s ALA 36 Ca -0.07 -1.45 -0.10 0.00 0.00 0.00 0.00 51.96 50.34 1ci5 s ALA 36 Cb 0.01 0.30 0.07 0.00 0.00 0.00 0.00 23.12 23.50 1ci5 s ALA 36 CO 0.11 -0.26 0.47 -2.00 0.00 0.00 0.00 175.76 174.08 1ci5 s GLU 37 N -3.86 0.43 0.02 0.00 2.12 -0.75 -0.12 118.70 116.54 1ci5 s GLU 37 Ca 0.17 0.96 0.03 0.00 0.36 0.00 0.00 54.97 56.48 1ci5 s GLU 37 Cb 0.05 0.14 -0.04 0.00 0.26 0.00 0.00 34.13 34.54 1ci5 s GLU 37 CO -0.01 -0.18 -0.02 -1.17 -0.54 0.00 0.00 175.26 173.34 1ci5 s LEU 38 N 1.82 3.41 -0.37 2.70 2.96 0.33 -2.24 118.68 127.29 1ci5 s LEU 38 Ca -0.07 -0.08 0.04 0.00 -0.22 0.00 0.00 54.13 53.80 1ci5 s LEU 38 Cb -0.09 -1.99 0.16 0.00 0.50 0.00 0.00 46.19 44.78 1ci5 s LEU 38 CO -0.14 0.26 0.45 -1.61 -1.32 0.00 0.00 176.35 173.99 1ci5 s GLU 39 N -1.65 0.65 -0.37 1.98 2.02 0.11 -1.53 118.70 119.92 1ci5 s GLU 39 Ca 0.20 -0.49 -0.19 0.00 0.02 0.00 0.00 54.97 54.51 1ci5 s GLU 39 Cb -0.11 -0.41 0.03 0.00 0.10 0.00 0.00 34.13 33.73 1ci5 s GLU 39 CO 0.11 -1.16 0.46 -1.71 0.02 0.00 0.00 175.26 172.97 1ci5 n ASN 40 N 4.51 -7.12 -1.86 -0.19 5.15 0.29 -2.55 115.26 113.50 1ci5 n ASN 40 Ca 0.09 0.47 -0.15 0.00 -0.60 0.00 0.00 54.58 54.39 1ci5 n ASN 40 Cb 0.49 -3.90 -0.04 0.00 -0.53 0.00 0.00 39.78 35.80 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 0.07 -4.16 -3.84 1.20 3.41 -1.26 -4.91 113.62 104.13 1ci5 n SER 41 Ca 0.03 0.27 -0.30 0.00 -0.26 0.00 0.00 58.87 58.60 1ci5 n SER 41 Cb 0.46 -3.68 -0.14 0.00 -0.26 0.00 0.00 64.21 60.58 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 -4.02 1.26 -0.15 4.33 2.12 -1.06 -5.10 118.70 116.08 1ci5 s GLU 42 Ca 0.00 -1.77 -0.06 0.00 0.36 0.00 0.00 54.97 53.51 1ci5 s GLU 42 Cb 0.00 -2.63 -0.04 0.00 0.26 0.00 0.00 34.13 31.72 1ci5 s GLU 42 CO 0.00 -1.03 0.04 0.12 -0.54 0.00 0.00 175.26 173.85 1ci5 s PHE 43 N 0.82 3.23 -0.28 5.30 5.36 -1.26 0.10 117.98 131.25 1ci5 s PHE 43 Ca 0.13 0.08 -0.20 0.00 -0.96 0.00 0.00 56.93 55.98 1ci5 s PHE 43 Cb -0.21 -1.99 0.09 0.00 -0.34 0.00 0.00 43.02 40.57 1ci5 s PHE 43 CO -0.10 0.25 0.76 0.50 -1.46 0.00 0.00 175.22 175.17 1ci5 s ARG 44 N -0.02 0.71 0.51 10.12 3.52 -0.95 -5.02 118.95 127.81 1ci5 s ARG 44 Ca 0.05 1.02 0.07 0.00 -0.13 0.00 0.00 55.73 56.75 1ci5 s ARG 44 Cb -0.12 0.25 0.05 0.00 -1.56 0.00 0.00 34.95 33.56 1ci5 s ARG 44 CO 0.01 -0.11 0.70 0.00 -0.81 0.00 0.00 175.30 175.09 1ci5 s ALA 45 N 0.98 4.48 0.50 6.12 0.00 -1.26 -1.82 121.76 130.76 1ci5 s ALA 45 Ca -0.05 -1.81 0.04 0.00 0.00 0.00 0.00 51.96 50.14 1ci5 s ALA 45 Cb -0.05 -1.64 -0.01 0.00 0.00 0.00 0.00 23.12 21.43 1ci5 s ALA 45 CO -0.10 -0.61 0.16 -0.06 0.00 0.00 0.00 175.76 175.14 1ci5 s PHE 46 N -2.56 1.93 0.00 0.00 0.40 -0.49 -4.69 117.98 112.58 1ci5 s PHE 46 Ca 0.58 -0.85 0.00 0.00 -0.60 0.00 0.00 56.93 56.06 1ci5 s PHE 46 Cb -0.08 -1.77 0.00 0.00 0.51 0.00 0.00 43.02 41.68 1ci5 s PHE 46 CO 0.36 0.01 0.00 0.45 0.70 0.00 0.00 175.22 176.74 1ci5 n SER 47 N -1.41 0.00 -0.79 1.36 2.88 -1.26 -1.73 113.62 112.68 1ci5 n SER 47 Ca -0.10 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.41 1ci5 n SER 47 Cb 0.66 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.09 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 3.62 -0.42 0.05 -3.46 3.41 -1.26 -4.92 113.62 110.64 1ci5 n SER 48 Ca 0.00 -1.57 -0.03 0.00 -0.26 0.00 0.00 58.87 57.01 1ci5 n SER 48 Cb 0.00 0.12 -0.08 0.00 -0.26 0.00 0.00 64.21 63.99 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 0.05 0.00 -0.80 7.33 -1.00 -1.66 -3.33 116.94 117.53 1ci5 h PHE 49 Ca -0.28 0.00 0.23 0.00 2.81 0.00 0.00 57.97 60.73 1ci5 h PHE 49 Cb 1.26 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.78 1ci5 h PHE 49 CO -0.20 0.75 0.69 1.57 -1.61 0.00 0.00 178.31 179.51 1ci5 h LYS 50 N 0.00 0.00 -0.65 1.51 2.10 -1.84 1.10 116.57 118.80 1ci5 h LYS 50 Ca -0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 1ci5 h LYS 50 Cb 1.68 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.01 1ci5 h LYS 50 CO 0.07 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.61 1ci5 n ASN 51 N -3.89 3.80 -0.91 7.07 4.13 -1.25 -4.00 115.26 120.20 1ci5 n ASN 51 Ca 0.17 -2.44 -0.03 0.00 1.68 0.00 0.00 54.58 53.96 1ci5 n ASN 51 Cb 0.98 -0.54 -0.03 0.00 -1.54 0.00 0.00 39.78 38.65 1ci5 n ASN 51 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 1ci5 n ARG 52 N 0.62 0.00 -4.10 3.52 1.85 0.37 -5.05 116.66 113.87 1ci5 n ARG 52 Ca 0.19 -0.91 -0.10 0.00 -1.00 0.00 0.00 57.85 56.03 1ci5 n ARG 52 Cb 0.76 0.21 -0.10 0.00 -1.05 0.00 0.00 32.46 32.27 1ci5 n ARG 52 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 1ci5 s VAL 53 N 0.00 0.46 -0.42 8.89 -7.23 -0.51 0.39 120.40 121.98 1ci5 s VAL 53 Ca 0.06 -1.60 0.05 0.00 -1.81 0.00 0.00 61.98 58.67 1ci5 s VAL 53 Cb 0.06 -1.25 0.19 0.00 0.56 0.00 0.00 36.38 35.94 1ci5 s VAL 53 CO -0.03 -0.76 0.42 0.00 -0.31 0.00 0.00 175.10 174.42 1ci5 n TYR 54 N 0.50 -1.23 -2.33 2.82 9.36 0.39 -4.92 117.16 121.75 1ci5 n TYR 54 Ca -0.16 -3.10 -0.42 0.00 3.32 0.00 0.00 57.90 57.54 1ci5 n TYR 54 Cb 0.59 0.34 -0.03 0.00 -0.63 0.00 0.00 39.34 39.61 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 4.38 0.61 2.98 2.96 -1.26 -1.58 118.68 126.72 1ci5 s LEU 55 Ca 0.33 2.15 -0.15 0.00 -0.22 0.00 0.00 54.13 56.24 1ci5 s LEU 55 Cb 0.06 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.14 1ci5 s LEU 55 CO -0.17 -0.51 1.06 -0.62 -1.32 0.00 0.00 176.35 174.78 1ci5 s ASP 56 N 0.91 5.71 -0.33 3.68 2.15 0.33 -4.95 116.67 124.17 1ci5 s ASP 56 Ca 0.59 1.77 0.07 0.00 0.43 0.00 0.00 52.55 55.42 1ci5 s ASP 56 Cb -0.32 -2.53 0.48 0.00 -0.30 0.00 0.00 42.92 40.25 1ci5 s ASP 56 CO 0.31 -1.22 1.42 1.07 -0.17 0.00 0.00 175.17 176.58 1ci5 n THR 57 N -2.25 2.64 0.01 1.71 5.66 -1.26 -4.19 114.28 116.60 1ci5 n THR 57 Ca 0.08 -3.31 0.00 0.00 -3.05 0.00 0.00 64.05 57.77 1ci5 n THR 57 Cb 0.53 -0.67 0.00 0.00 -1.55 0.00 0.00 70.33 68.64 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 -0.97 0.00 -0.38 1.09 4.01 -1.26 -4.87 118.16 115.79 1ci5 n LYS 58 Ca 0.39 0.00 0.08 0.00 -0.51 0.00 0.00 58.31 58.26 1ci5 n LYS 58 Cb 0.93 -0.04 0.25 0.00 -0.51 0.00 0.00 35.03 35.65 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 -2.63 3.74 0.00 4.39 2.88 -1.26 -1.53 113.62 119.21 1ci5 n SER 59 Ca 0.00 -2.37 0.00 0.00 -1.33 0.00 0.00 58.87 55.17 1ci5 n SER 59 Cb 0.00 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 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 0.51 0.69 3.54 0.46 0.00 -1.26 -4.54 105.19 104.59 1ci5 n GLY 60 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.06 -0.29 -4.12 1.61 7.64 -1.26 -4.62 113.62 112.53 1ci5 n SER 61 Ca 0.00 0.70 -0.25 0.00 1.01 0.00 0.00 58.87 60.33 1ci5 n SER 61 Cb 0.03 -1.29 -0.16 0.00 -1.01 0.00 0.00 64.21 61.78 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 -1.10 1.92 -0.26 -3.43 2.96 -1.03 0.12 118.68 117.85 1ci5 s LEU 62 Ca 0.71 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 54.31 1ci5 s LEU 62 Cb -0.39 -0.88 0.07 0.00 0.50 0.00 0.00 46.19 45.50 1ci5 s LEU 62 CO 0.52 0.15 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.80 1ci5 s THR 63 N -0.03 1.50 0.47 3.68 2.01 -0.62 0.18 115.64 122.84 1ci5 s THR 63 Ca -0.01 -1.40 -0.13 0.00 0.31 0.00 0.00 61.69 60.46 1ci5 s THR 63 Cb -0.10 -1.88 -0.07 0.00 0.01 0.00 0.00 72.50 70.46 1ci5 s THR 63 CO 0.01 -0.27 0.88 -0.63 -0.69 0.00 0.00 174.62 173.92 1ci5 s ILE 64 N 1.37 4.67 0.08 1.82 1.01 0.31 0.15 121.20 130.61 1ci5 s ILE 64 Ca -0.01 0.89 0.06 0.00 0.00 0.00 0.00 60.65 61.59 1ci5 s ILE 64 Cb -0.19 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 1ci5 s ILE 64 CO -0.10 -0.65 -0.17 -0.31 0.00 0.00 0.00 174.94 173.72 1ci5 s TYR 65 N -2.55 1.43 -0.22 3.97 1.51 0.16 -2.04 117.35 119.61 1ci5 s TYR 65 Ca 0.55 -0.44 -0.03 0.00 -1.01 0.00 0.00 57.07 56.14 1ci5 s TYR 65 Cb -0.10 -0.80 0.01 0.00 -0.11 0.00 0.00 41.96 40.96 1ci5 s TYR 65 CO 0.33 0.11 0.06 -1.71 -1.11 0.00 0.00 175.55 173.23 1ci5 n ASN 66 N 1.23 -6.04 -4.91 2.29 2.85 0.02 -4.76 115.26 105.93 1ci5 n ASN 66 Ca -0.20 1.25 -0.21 0.00 -0.11 0.00 0.00 54.58 55.31 1ci5 n ASN 66 Cb 0.54 -4.59 -0.03 0.00 1.24 0.00 0.00 39.78 36.94 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 -1.23 4.01 0.00 1.20 1.43 -1.20 -4.78 118.68 118.11 1ci5 s LEU 67 Ca -0.07 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 1ci5 s LEU 67 Cb 0.00 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.63 1ci5 s LEU 67 CO 0.63 -0.16 0.00 0.35 0.23 0.00 0.00 176.35 177.40 1ci5 n THR 68 N -1.38 0.00 0.46 5.49 -2.24 -1.26 -0.94 114.28 114.41 1ci5 n THR 68 Ca -0.06 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.85 1ci5 n THR 68 Cb 0.58 0.00 0.43 0.00 -2.10 0.00 0.00 70.33 69.24 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 1.17 3.42 0.87 -1.98 -2.84 113.55 114.20 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 0.00 -0.85 -1.28 -0.53 0.00 0.00 176.83 174.17 1ci5 h SER 70 N 0.00 0.00 0.91 6.23 0.87 -2.00 -3.28 113.55 116.28 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 0.63 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 1ci5 h SER 70 CO 0.00 0.14 0.00 0.44 -0.53 0.00 0.00 176.83 176.88 1ci5 h ASP 71 N 0.00 0.00 -0.09 6.23 5.19 -1.89 -3.37 116.42 122.49 1ci5 h ASP 71 Ca -0.03 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 55.79 1ci5 h ASP 71 Cb 1.13 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.68 1ci5 h ASP 71 CO 0.01 0.00 2.07 1.21 -3.12 0.00 0.00 179.24 179.41 1ci5 n GLU 72 N -2.80 1.52 -4.16 3.56 2.13 -1.24 -4.77 120.64 114.88 1ci5 n GLU 72 Ca 0.01 -1.96 -0.10 0.00 0.66 0.00 0.00 57.16 55.77 1ci5 n GLU 72 Cb 0.28 -3.07 -0.10 0.00 0.27 0.00 0.00 31.44 28.82 1ci5 n GLU 72 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1ci5 s ASP 73 N 5.28 0.29 -0.36 4.31 -1.08 -1.13 -4.92 116.67 119.05 1ci5 s ASP 73 Ca 0.59 -1.24 -0.26 0.00 -0.52 0.00 0.00 52.55 51.13 1ci5 s ASP 73 Cb 0.12 0.31 0.01 0.00 -1.46 0.00 0.00 42.92 41.90 1ci5 s ASP 73 CO 0.12 -0.75 0.91 -0.70 0.52 0.00 0.00 175.17 175.28 1ci5 s GLU 74 N -4.07 3.85 0.25 4.34 2.12 -1.26 -1.87 118.70 122.07 1ci5 s GLU 74 Ca 0.26 0.58 -0.08 0.00 0.36 0.00 0.00 54.97 56.10 1ci5 s GLU 74 Cb 0.07 -3.80 -0.07 0.00 0.26 0.00 0.00 34.13 30.60 1ci5 s GLU 74 CO 0.03 -0.92 0.55 0.71 -0.54 0.00 0.00 175.26 175.09 1ci5 s TYR 75 N 3.42 3.44 -0.02 5.30 1.51 -0.47 -3.96 117.35 126.58 1ci5 s TYR 75 Ca 0.38 0.80 0.01 0.00 -1.01 0.00 0.00 57.07 57.25 1ci5 s TYR 75 Cb -0.12 -2.21 0.01 0.00 -0.11 0.00 0.00 41.96 39.53 1ci5 s TYR 75 CO 0.18 0.23 -0.04 -2.00 -1.11 0.00 0.00 175.55 172.81 1ci5 s GLU 76 N -3.06 0.57 0.13 -0.62 2.12 -0.05 -0.49 118.70 117.31 1ci5 s GLU 76 Ca 0.46 -0.11 0.09 0.00 0.36 0.00 0.00 54.97 55.77 1ci5 s GLU 76 Cb -0.11 -0.59 -0.04 0.00 0.26 0.00 0.00 34.13 33.64 1ci5 s GLU 76 CO 0.24 -0.00 -0.18 0.00 -0.54 0.00 0.00 175.26 174.78 1ci5 s MET 77 N 0.47 1.76 0.03 4.30 0.23 -0.07 0.14 119.30 126.16 1ci5 s MET 77 Ca -0.05 -1.24 0.04 0.00 -1.03 0.00 0.00 55.69 53.41 1ci5 s MET 77 Cb -0.09 -2.08 -0.02 0.00 -1.53 0.00 0.00 34.83 31.11 1ci5 s MET 77 CO -0.00 0.46 -0.12 -2.00 -2.03 0.00 0.00 175.02 171.33 1ci5 s GLU 78 N -2.26 0.84 -0.22 3.16 2.12 0.31 -2.00 118.70 120.66 1ci5 s GLU 78 Ca 0.19 -0.69 -0.27 0.00 0.36 0.00 0.00 54.97 54.56 1ci5 s GLU 78 Cb -0.10 -0.82 0.09 0.00 0.26 0.00 0.00 34.13 33.56 1ci5 s GLU 78 CO 0.10 0.20 0.81 0.45 -0.54 0.00 0.00 175.26 176.28 1ci5 s SER 79 N -1.05 -0.63 0.11 -1.70 0.15 -1.26 -0.09 113.70 109.23 1ci5 s SER 79 Ca 0.00 1.07 -0.22 0.00 0.70 0.00 0.00 55.95 57.50 1ci5 s SER 79 Cb -0.07 1.04 -0.08 0.00 -1.71 0.00 0.00 66.02 65.19 1ci5 s SER 79 CO 0.01 -0.31 1.71 -0.65 1.20 0.00 0.00 173.24 175.20 1ci5 h PRO 80 N 4.19 -0.07 -0.35 5.44 0.11 -1.93 -2.14 132.00 137.23 1ci5 h PRO 80 Ca -0.27 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 1ci5 h PRO 80 Cb 1.16 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1ci5 h PRO 80 CO 0.16 -0.05 0.11 -0.91 -0.21 0.00 0.00 178.00 177.09 1ci5 h ASN 81 N -0.08 0.46 -4.22 -2.05 4.21 -1.96 -3.44 115.58 108.50 1ci5 h ASN 81 Ca 0.05 -0.05 -0.53 0.00 1.21 0.00 0.00 56.30 56.97 1ci5 h ASN 81 Cb 0.15 -0.12 0.19 0.00 -1.12 0.00 0.00 38.32 37.41 1ci5 h ASN 81 CO -0.11 0.45 0.32 -0.63 -1.29 0.00 0.00 177.43 176.16 1ci5 s ILE 82 N -5.18 2.02 0.20 2.81 -1.09 -0.81 -4.92 121.20 114.24 1ci5 s ILE 82 Ca -0.08 0.01 -0.10 0.00 -2.23 0.00 0.00 60.65 58.25 1ci5 s ILE 82 Cb 0.16 -2.34 0.14 0.00 -1.58 0.00 0.00 42.46 38.84 1ci5 s ILE 82 CO 0.75 -0.01 1.83 0.74 -1.23 0.00 0.00 174.94 177.02 1ci5 h THR 83 N -1.10 1.22 0.00 2.92 2.02 -1.84 -3.46 112.91 112.66 1ci5 h THR 83 Ca -0.46 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.20 1ci5 h THR 83 Cb 1.29 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1ci5 h THR 83 CO 0.45 0.24 0.00 -0.67 0.37 0.00 0.00 175.52 175.91 1ci5 n ASP 84 N -4.49 0.00 -3.65 4.18 -0.08 -1.26 -5.12 116.55 106.14 1ci5 n ASP 84 Ca 0.06 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.32 1ci5 n ASP 84 Cb 0.08 0.31 -0.07 0.00 2.34 0.00 0.00 41.12 43.78 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 -0.49 -0.27 0.23 1.67 1.04 -1.26 -4.22 113.70 110.39 1ci5 s SER 85 Ca 0.00 0.46 0.07 0.00 0.48 0.00 0.00 55.95 56.96 1ci5 s SER 85 Cb 0.00 0.86 -0.04 0.00 0.10 0.00 0.00 66.02 66.94 1ci5 s SER 85 CO 0.00 -0.08 0.16 -0.04 0.98 0.00 0.00 173.24 174.27 1ci5 s MET 86 N 0.77 2.87 -0.37 4.02 -1.94 -0.84 -4.94 119.30 118.87 1ci5 s MET 86 Ca -0.03 -1.03 0.01 0.00 -1.71 0.00 0.00 55.69 52.93 1ci5 s MET 86 Cb -0.04 -2.56 0.12 0.00 2.01 0.00 0.00 34.83 34.36 1ci5 s MET 86 CO -0.12 0.42 0.16 0.15 -0.01 0.00 0.00 175.02 175.62 1ci5 s LYS 87 N -3.61 1.01 -0.29 2.03 3.01 -1.26 -0.89 119.74 119.74 1ci5 s LYS 87 Ca 0.32 -1.54 -0.20 0.00 -1.01 0.00 0.00 55.97 53.54 1ci5 s LYS 87 Cb -0.08 -2.19 -0.01 0.00 -1.01 0.00 0.00 37.83 34.53 1ci5 s LYS 87 CO 0.24 -1.07 0.62 -0.06 0.51 0.00 0.00 175.35 175.59 1ci5 s PHE 88 N 1.00 3.23 0.23 3.18 0.40 0.36 -3.70 117.98 122.67 1ci5 s PHE 88 Ca 0.14 0.63 -0.30 0.00 -0.60 0.00 0.00 56.93 56.80 1ci5 s PHE 88 Cb -0.21 -2.93 -0.09 0.00 0.51 0.00 0.00 43.02 40.30 1ci5 s PHE 88 CO -0.12 -0.43 1.02 0.12 0.70 0.00 0.00 175.22 176.52 1ci5 s PHE 89 N 2.55 3.76 -0.11 0.36 2.19 0.88 -1.37 117.98 126.25 1ci5 s PHE 89 Ca 0.25 1.78 0.01 0.00 0.33 0.00 0.00 56.93 59.29 1ci5 s PHE 89 Cb -0.15 -3.14 -0.02 0.00 -1.31 0.00 0.00 43.02 38.40 1ci5 s PHE 89 CO 0.11 -0.09 -0.14 -1.17 1.83 0.00 0.00 175.22 175.76 1ci5 s LEU 90 N -0.99 2.69 -0.17 6.12 2.96 -0.78 0.17 118.68 128.68 1ci5 s LEU 90 Ca 0.44 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 54.05 1ci5 s LEU 90 Cb -0.28 -1.59 0.01 0.00 0.50 0.00 0.00 46.19 44.83 1ci5 s LEU 90 CO 0.35 0.20 -0.17 -0.31 -1.32 0.00 0.00 176.35 175.10 1ci5 s TYR 91 N 0.14 2.77 -0.18 5.38 2.02 0.29 -2.84 117.35 124.93 1ci5 s TYR 91 Ca -0.07 -1.33 -0.15 0.00 -0.37 0.00 0.00 57.07 55.15 1ci5 s TYR 91 Cb -0.15 -1.91 -0.04 0.00 -0.40 0.00 0.00 41.96 39.46 1ci5 s TYR 91 CO 0.05 -0.64 0.36 0.08 -1.57 0.00 0.00 175.55 173.83 1ci5 s VAL 92 N 1.07 5.24 0.43 0.71 1.01 -1.26 0.12 120.40 127.72 1ci5 s VAL 92 Ca -0.01 0.66 0.03 0.00 0.00 0.00 0.00 61.98 62.67 1ci5 s VAL 92 Cb -0.14 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1ci5 s VAL 92 CO -0.06 0.31 0.07 -0.83 0.00 0.00 0.00 175.10 174.60 1ci5 s GLY 93 N 0.78 2.65 -0.07 4.51 0.00 0.63 -4.91 107.32 110.91 1ci5 s GLY 93 Ca 0.19 -1.18 -0.05 0.00 0.00 0.00 0.00 44.72 43.68 1ci5 s GLY 93 CO 0.07 -1.96 0.55 0.83 0.00 0.00 0.00 173.10 172.59 1ci5 h GLU 94 N 1.70 0.26 0.00 2.90 5.08 -1.95 0.10 114.58 122.68 1ci5 h GLU 94 Ca -0.39 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 57.53 1ci5 h GLU 94 Cb 1.28 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.69 1ci5 h GLU 94 CO 0.66 1.13 0.00 0.45 -1.00 0.00 0.00 179.01 180.24