#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ci5 s SER 2 N 0.00 3.61 -0.07 -3.46 1.04 -1.26 -4.80 113.70 108.76 1ci5 s SER 2 Ca 0.00 0.08 -0.03 0.00 0.48 0.00 0.00 55.95 56.48 1ci5 s SER 2 Cb 0.00 -0.27 0.04 0.00 0.10 0.00 0.00 66.02 65.89 1ci5 s SER 2 CO 0.00 -2.39 0.15 -1.58 0.98 0.00 0.00 173.24 170.40 1ci5 s GLN 3 N -5.62 0.07 0.04 4.02 0.74 -1.18 -5.02 119.66 112.71 1ci5 s GLN 3 Ca 0.71 0.45 -0.22 0.00 0.05 0.00 0.00 55.36 56.34 1ci5 s GLN 3 Cb -0.05 -0.21 -0.06 0.00 1.10 0.00 0.00 33.01 33.79 1ci5 s GLN 3 CO 0.50 -0.22 0.67 -0.65 -0.55 0.00 0.00 175.29 175.04 1ci5 s GLN 4 N 1.59 4.39 0.05 1.67 1.11 -1.26 -0.27 119.66 126.95 1ci5 s GLN 4 Ca -0.05 0.89 0.06 0.00 0.01 0.00 0.00 55.36 56.27 1ci5 s GLN 4 Cb -0.12 -3.33 -0.04 0.00 -1.01 0.00 0.00 33.01 28.52 1ci5 s GLN 4 CO -0.06 0.39 -0.11 0.42 0.01 0.00 0.00 175.29 175.95 1ci5 s ILE 5 N -0.35 3.34 -0.33 1.08 -1.09 0.37 -4.88 121.20 119.34 1ci5 s ILE 5 Ca 0.34 -1.05 -0.10 0.00 -2.23 0.00 0.00 60.65 57.61 1ci5 s ILE 5 Cb -0.20 -2.48 -0.00 0.00 -1.58 0.00 0.00 42.46 38.20 1ci5 s ILE 5 CO 0.20 0.28 0.18 -0.31 -1.23 0.00 0.00 174.94 174.06 1ci5 s TYR 6 N -1.05 3.20 0.43 3.97 2.02 -1.26 -1.17 117.35 123.48 1ci5 s TYR 6 Ca 0.18 -0.59 0.04 0.00 -0.37 0.00 0.00 57.07 56.33 1ci5 s TYR 6 Cb -0.11 -2.39 -0.05 0.00 -0.40 0.00 0.00 41.96 39.01 1ci5 s TYR 6 CO 0.09 -0.48 0.03 0.20 -1.57 0.00 0.00 175.55 173.83 1ci5 s GLY 7 N 1.62 2.61 -0.07 0.71 0.00 0.24 -4.92 107.32 107.51 1ci5 s GLY 7 Ca 0.04 -1.52 -0.07 0.00 0.00 0.00 0.00 44.72 43.17 1ci5 s GLY 7 CO 0.07 -2.04 0.21 -1.34 0.00 0.00 0.00 173.10 169.99 1ci5 s VAL 8 N -2.94 0.00 0.16 1.40 -7.23 -1.26 -0.14 120.40 110.40 1ci5 s VAL 8 Ca 0.25 -0.03 -0.33 0.00 -1.81 0.00 0.00 61.98 60.06 1ci5 s VAL 8 Cb 0.06 -0.31 -0.16 0.00 0.56 0.00 0.00 36.38 36.53 1ci5 s VAL 8 CO 0.12 -0.02 1.04 0.29 -0.31 0.00 0.00 175.10 176.22 1ci5 n LYS 9 N 2.89 0.84 -1.97 4.82 4.76 0.30 0.39 118.16 130.18 1ci5 n LYS 9 Ca -0.13 0.30 -0.20 0.00 -2.87 0.00 0.00 58.31 55.41 1ci5 n LYS 9 Cb 0.58 -1.71 -0.05 0.00 -1.84 0.00 0.00 35.03 32.02 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 1.15 -0.47 -4.22 2.13 4.02 -0.16 -4.77 117.16 114.84 1ci5 n TYR 10 Ca 0.16 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.92 1ci5 n TYR 10 Cb 0.23 -3.60 -0.02 0.00 -0.02 0.00 0.00 39.34 35.93 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 -0.77 3.84 3.49 2.72 0.00 0.16 -4.72 105.19 109.92 1ci5 n GLY 11 Ca -0.22 -2.27 -0.25 0.00 0.00 0.00 0.00 46.02 43.29 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 -2.10 3.74 0.00 1.61 0.01 -1.26 -1.18 114.94 115.76 1ci5 s ASN 12 Ca 0.01 -0.91 -0.27 0.00 -0.71 0.00 0.00 52.86 50.98 1ci5 s ASN 12 Cb -0.00 -0.40 0.06 0.00 0.41 0.00 0.00 41.25 41.32 1ci5 s ASN 12 CO 0.01 0.05 0.60 -0.69 -1.51 0.00 0.00 177.10 175.56 1ci5 s VAL 13 N -2.27 0.01 0.06 1.60 1.01 -1.01 -4.69 120.40 115.11 1ci5 s VAL 13 Ca 0.28 -0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.22 1ci5 s VAL 13 Cb -0.06 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 1ci5 s VAL 13 CO 0.15 -0.05 -0.16 -0.89 0.00 0.00 0.00 175.10 174.14 1ci5 s THR 14 N -1.82 1.29 -0.49 3.92 2.01 -1.26 -0.64 115.64 118.65 1ci5 s THR 14 Ca -0.08 -1.24 -0.01 0.00 0.31 0.00 0.00 61.69 60.67 1ci5 s THR 14 Cb -0.01 -1.19 0.13 0.00 0.01 0.00 0.00 72.50 71.44 1ci5 s THR 14 CO 0.04 -0.07 0.28 -0.36 -0.69 0.00 0.00 174.62 173.82 1ci5 s PHE 15 N -1.06 3.49 0.47 4.92 0.08 0.52 -4.96 117.98 121.45 1ci5 s PHE 15 Ca 0.02 -2.70 -0.24 0.00 0.12 0.00 0.00 56.93 54.13 1ci5 s PHE 15 Cb -0.09 -3.12 -0.07 0.00 -0.57 0.00 0.00 43.02 39.16 1ci5 s PHE 15 CO 0.02 -0.89 1.28 -1.01 -0.10 0.00 0.00 175.22 174.52 1ci5 s HIS 16 N 0.49 2.65 -0.12 0.36 3.76 -1.26 -2.28 115.29 118.88 1ci5 s HIS 16 Ca 0.13 1.43 0.02 0.00 -0.15 0.00 0.00 55.06 56.49 1ci5 s HIS 16 Cb -0.22 -3.63 0.02 0.00 1.11 0.00 0.00 32.58 29.86 1ci5 s HIS 16 CO -0.04 -2.20 -0.16 0.08 -0.85 0.00 0.00 174.74 171.57 1ci5 s VAL 17 N -1.37 1.62 -1.16 -0.90 1.01 -1.26 -4.97 120.40 113.38 1ci5 s VAL 17 Ca 0.64 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.83 1ci5 s VAL 17 Cb -0.36 -1.48 -0.12 0.00 0.00 0.00 0.00 36.38 34.42 1ci5 s VAL 17 CO 0.44 0.47 2.90 -0.81 0.00 0.00 0.00 175.10 178.10 1ci5 n PRO 18 N 4.31 3.03 -3.49 2.72 -0.04 -1.26 -4.83 135.00 135.43 1ci5 n PRO 18 Ca -0.19 -1.80 -0.42 0.00 -0.04 0.00 0.00 63.50 61.05 1ci5 n PRO 18 Cb 0.51 -2.56 -0.07 0.00 -0.04 0.00 0.00 33.50 31.34 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 2.36 5.86 0.28 3.54 0.15 -1.26 -4.94 113.70 119.69 1ci5 s SER 19 Ca 0.63 -1.98 0.02 0.00 0.70 0.00 0.00 55.95 55.32 1ci5 s SER 19 Cb 0.19 -2.06 0.64 0.00 -1.71 0.00 0.00 66.02 63.08 1ci5 s SER 19 CO -0.04 -0.71 1.76 -0.55 1.20 0.00 0.00 173.24 174.90 1ci5 h ASN 20 N 8.44 0.63 -3.00 5.45 7.08 -1.96 -3.40 115.58 128.81 1ci5 h ASN 20 Ca -0.20 0.10 -0.61 0.00 -3.08 0.00 0.00 56.30 52.51 1ci5 h ASN 20 Cb 1.07 -0.01 -0.05 0.00 -2.08 0.00 0.00 38.32 37.25 1ci5 h ASN 20 CO 0.89 0.23 -0.25 -1.10 -2.08 0.00 0.00 177.43 175.12 1ci5 s GLN 21 N -5.91 3.80 -0.04 4.14 -1.52 -1.26 -5.02 119.66 113.84 1ci5 s GLN 21 Ca -0.12 0.26 -0.36 0.00 -1.95 0.00 0.00 55.36 53.20 1ci5 s GLN 21 Cb 0.23 -3.14 -0.14 0.00 -0.22 0.00 0.00 33.01 29.75 1ci5 s GLN 21 CO 0.79 0.66 1.69 -2.30 -0.25 0.00 0.00 175.29 175.87 1ci5 n PRO 22 N 1.51 1.77 -2.31 2.91 -0.02 -1.26 -4.87 135.00 132.72 1ci5 n PRO 22 Ca -0.12 0.64 -0.43 0.00 -2.02 0.00 0.00 63.50 61.57 1ci5 n PRO 22 Cb 0.53 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.58 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 2.59 3.55 -0.00 2.45 1.43 0.58 -4.86 118.68 124.42 1ci5 s LEU 23 Ca 0.89 0.82 -0.03 0.00 -1.03 0.00 0.00 54.13 54.78 1ci5 s LEU 23 Cb -0.82 -3.48 -0.28 0.00 0.03 0.00 0.00 46.19 41.65 1ci5 s LEU 23 CO 0.51 -1.51 0.83 0.50 0.23 0.00 0.00 176.35 176.90 1ci5 h LYS 24 N 11.07 0.25 -3.98 1.70 3.64 -1.90 -3.42 116.57 123.94 1ci5 h LYS 24 Ca -0.28 -0.43 -0.59 0.00 -1.27 0.00 0.00 60.65 58.08 1ci5 h LYS 24 Cb 1.11 0.16 -0.39 0.00 -0.41 0.00 0.00 32.23 32.70 1ci5 h LYS 24 CO 1.09 1.11 -0.76 -2.00 -2.27 0.00 0.00 179.45 176.62 1ci5 s GLU 25 N -2.61 1.12 0.18 1.90 2.12 -1.26 -3.25 118.70 116.90 1ci5 s GLU 25 Ca -0.10 -1.02 0.10 0.00 0.36 0.00 0.00 54.97 54.32 1ci5 s GLU 25 Cb 0.07 -2.38 -0.04 0.00 0.26 0.00 0.00 34.13 32.04 1ci5 s GLU 25 CO 0.85 -0.78 -0.21 0.54 -0.54 0.00 0.00 175.26 175.13 1ci5 s VAL 26 N 1.50 2.08 -0.05 3.70 0.11 -0.54 -3.86 120.40 123.33 1ci5 s VAL 26 Ca 0.02 -1.99 -0.02 0.00 -2.93 0.00 0.00 61.98 57.06 1ci5 s VAL 26 Cb -0.18 -1.98 0.04 0.00 -1.53 0.00 0.00 36.38 32.72 1ci5 s VAL 26 CO -0.13 -0.23 0.09 -0.22 -3.33 0.00 0.00 175.10 171.28 1ci5 s LEU 27 N -2.70 0.34 -0.11 2.54 2.96 0.52 0.11 118.68 122.34 1ci5 s LEU 27 Ca 0.19 0.17 0.00 0.00 -0.22 0.00 0.00 54.13 54.27 1ci5 s LEU 27 Cb -0.07 0.06 -0.02 0.00 0.50 0.00 0.00 46.19 46.66 1ci5 s LEU 27 CO 0.08 -0.21 -0.10 0.26 -1.32 0.00 0.00 176.35 175.06 1ci5 s TRP 28 N 1.85 2.85 0.17 5.38 0.52 0.53 0.11 118.94 130.35 1ci5 s TRP 28 Ca -0.00 -0.35 0.07 0.00 0.02 0.00 0.00 56.10 55.84 1ci5 s TRP 28 Cb -0.12 -1.79 -0.04 0.00 -1.15 0.00 0.00 33.47 30.36 1ci5 s TRP 28 CO -0.04 0.01 -0.15 0.15 0.02 0.00 0.00 176.95 176.94 1ci5 s LYS 29 N -0.10 1.23 -0.18 4.98 3.01 0.32 -1.17 119.74 127.83 1ci5 s LYS 29 Ca -0.01 -1.46 -0.05 0.00 -1.01 0.00 0.00 55.97 53.45 1ci5 s LYS 29 Cb -0.14 -1.09 0.06 0.00 -1.01 0.00 0.00 37.83 35.66 1ci5 s LYS 29 CO 0.03 0.19 0.09 0.21 0.51 0.00 0.00 175.35 176.38 1ci5 s LYS 30 N -3.25 0.15 6.73 1.68 2.20 -0.59 -0.41 119.74 126.25 1ci5 s LYS 30 Ca 0.18 -0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.62 1ci5 s LYS 30 Cb -0.03 -1.81 0.00 0.00 -1.51 0.00 0.00 37.83 34.49 1ci5 s LYS 30 CO 0.05 -0.70 0.00 1.04 -0.36 0.00 0.00 175.35 175.39 1ci5 n GLN 31 N 5.25 0.00 -0.85 4.03 6.02 -1.25 -2.04 117.38 128.53 1ci5 n GLN 31 Ca -0.07 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.83 1ci5 n GLN 31 Cb 0.48 0.00 0.21 0.00 1.02 0.00 0.00 30.24 31.96 1ci5 n GLN 31 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1ci5 n LYS 32 N 13.39 2.85 -4.36 -1.09 -0.00 -1.26 -4.92 118.16 122.77 1ci5 n LYS 32 Ca 0.00 -2.39 -0.19 0.00 -0.00 0.00 0.00 58.31 55.73 1ci5 n LYS 32 Cb 0.00 -2.00 -0.10 0.00 -0.00 0.00 0.00 35.03 32.94 1ci5 n LYS 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1ci5 s ASP 33 N -0.71 1.67 0.00 -5.58 1.11 -0.87 -5.16 116.67 107.13 1ci5 s ASP 33 Ca 0.44 -1.50 0.01 0.00 0.18 0.00 0.00 52.55 51.68 1ci5 s ASP 33 Cb 0.35 0.28 -0.04 0.00 1.07 0.00 0.00 42.92 44.59 1ci5 s ASP 33 CO 0.10 -0.81 0.03 -0.54 1.18 0.00 0.00 175.17 175.13 1ci5 s LYS 34 N -3.88 2.90 -0.03 8.23 1.02 -1.26 -1.54 119.74 125.17 1ci5 s LYS 34 Ca 0.35 -0.57 -0.04 0.00 0.02 0.00 0.00 55.97 55.73 1ci5 s LYS 34 Cb 0.06 -2.75 -0.01 0.00 -0.52 0.00 0.00 37.83 34.61 1ci5 s LYS 34 CO 0.16 0.63 -0.08 0.28 -0.92 0.00 0.00 175.35 175.42 1ci5 n VAL 35 N 1.28 0.43 -4.10 3.17 0.31 -0.32 -4.55 118.33 114.54 1ci5 n VAL 35 Ca -0.14 0.33 -0.08 0.00 -0.01 0.00 0.00 64.34 64.44 1ci5 n VAL 35 Cb 0.53 -1.61 -0.10 0.00 -0.91 0.00 0.00 33.84 31.75 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 -2.73 0.58 -0.16 3.52 0.00 -0.95 -1.12 121.76 120.90 1ci5 s ALA 36 Ca -0.07 -1.26 -0.07 0.00 0.00 0.00 0.00 51.96 50.56 1ci5 s ALA 36 Cb 0.01 0.38 0.07 0.00 0.00 0.00 0.00 23.12 23.57 1ci5 s ALA 36 CO 0.10 -0.39 0.37 -2.00 0.00 0.00 0.00 175.76 173.83 1ci5 s GLU 37 N -3.94 0.31 0.01 0.00 2.56 -0.44 -0.35 118.70 116.85 1ci5 s GLU 37 Ca 0.10 0.80 0.03 0.00 0.00 0.00 0.00 54.97 55.91 1ci5 s GLU 37 Cb 0.08 0.04 -0.03 0.00 2.00 0.00 0.00 34.13 36.22 1ci5 s GLU 37 CO -0.08 -0.20 -0.07 -1.17 -0.56 0.00 0.00 175.26 173.19 1ci5 s LEU 38 N 1.80 3.18 -0.29 2.70 2.96 0.30 -2.40 118.68 126.93 1ci5 s LEU 38 Ca -0.06 -0.14 -0.16 0.00 -0.22 0.00 0.00 54.13 53.54 1ci5 s LEU 38 Cb -0.10 -1.82 0.17 0.00 0.50 0.00 0.00 46.19 44.94 1ci5 s LEU 38 CO -0.12 0.28 1.09 -0.70 -1.32 0.00 0.00 176.35 175.59 1ci5 s GLU 39 N -1.44 0.24 -1.38 1.98 2.12 -0.81 -1.47 118.70 117.94 1ci5 s GLU 39 Ca 0.17 0.43 -0.06 0.00 0.36 0.00 0.00 54.97 55.87 1ci5 s GLU 39 Cb -0.11 0.08 0.03 0.00 0.26 0.00 0.00 34.13 34.39 1ci5 s GLU 39 CO 0.08 -0.05 0.92 0.09 -0.54 0.00 0.00 175.26 175.75 1ci5 n ASN 40 N 3.63 -3.38 -1.63 -1.70 4.13 -1.21 -0.74 115.26 114.35 1ci5 n ASN 40 Ca -0.17 -0.73 -0.19 0.00 1.68 0.00 0.00 54.58 55.17 1ci5 n ASN 40 Cb 0.57 -4.31 -0.06 0.00 -1.54 0.00 0.00 39.78 34.44 1ci5 n ASN 40 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1ci5 n SER 41 N -2.99 -5.31 -4.09 6.41 7.64 -1.26 -4.95 113.62 109.07 1ci5 n SER 41 Ca -0.13 0.33 -0.34 0.00 1.01 0.00 0.00 58.87 59.74 1ci5 n SER 41 Cb 0.61 -4.43 -0.14 0.00 -1.01 0.00 0.00 64.21 59.24 1ci5 n SER 41 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1ci5 s GLU 42 N -3.96 1.91 -0.21 1.43 0.41 0.08 -5.09 118.70 113.26 1ci5 s GLU 42 Ca 0.00 -1.70 -0.10 0.00 -0.41 0.00 0.00 54.97 52.76 1ci5 s GLU 42 Cb 0.00 -3.31 -0.05 0.00 -1.78 0.00 0.00 34.13 28.99 1ci5 s GLU 42 CO 0.00 -0.90 0.14 0.12 -0.49 0.00 0.00 175.26 174.13 1ci5 s PHE 43 N 1.07 3.38 -0.21 1.61 5.36 -1.26 -1.92 117.98 126.01 1ci5 s PHE 43 Ca 0.05 0.29 -0.18 0.00 -0.96 0.00 0.00 56.93 56.13 1ci5 s PHE 43 Cb -0.21 -2.19 0.05 0.00 -0.34 0.00 0.00 43.02 40.34 1ci5 s PHE 43 CO -0.05 0.22 0.54 0.50 -1.46 0.00 0.00 175.22 174.97 1ci5 s ARG 44 N 0.58 0.63 0.27 10.12 3.52 -1.01 -5.03 118.95 128.03 1ci5 s ARG 44 Ca 0.08 0.78 0.10 0.00 -0.13 0.00 0.00 55.73 56.55 1ci5 s ARG 44 Cb -0.12 0.29 -0.04 0.00 -1.56 0.00 0.00 34.95 33.51 1ci5 s ARG 44 CO 0.00 -0.08 -0.01 0.00 -0.81 0.00 0.00 175.30 174.39 1ci5 s ALA 45 N 0.40 3.14 0.23 6.12 0.00 -1.26 -1.32 121.76 129.06 1ci5 s ALA 45 Ca -0.01 -1.70 0.03 0.00 0.00 0.00 0.00 51.96 50.29 1ci5 s ALA 45 Cb -0.04 -0.71 0.03 0.00 0.00 0.00 0.00 23.12 22.40 1ci5 s ALA 45 CO -0.01 0.25 0.24 1.19 0.00 0.00 0.00 175.76 177.43 1ci5 n PHE 46 N -0.89 -1.92 -2.28 0.00 3.72 -0.27 -4.34 117.46 111.48 1ci5 n PHE 46 Ca -0.06 -0.90 -0.07 0.00 -0.05 0.00 0.00 57.45 56.37 1ci5 n PHE 46 Cb 0.59 -0.20 -0.01 0.00 -0.94 0.00 0.00 39.48 38.92 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 -2.33 -2.65 -1.51 4.37 2.88 -1.26 0.79 113.62 113.90 1ci5 n SER 47 Ca 0.03 0.30 -0.19 0.00 -1.33 0.00 0.00 58.87 57.67 1ci5 n SER 47 Cb 0.25 -2.36 -0.08 0.00 -0.75 0.00 0.00 64.21 61.27 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 -1.41 -5.32 0.17 -3.46 3.41 -1.26 -4.85 113.62 100.89 1ci5 n SER 48 Ca -0.09 0.44 0.03 0.00 -0.26 0.00 0.00 58.87 58.99 1ci5 n SER 48 Cb 0.52 -4.49 0.27 0.00 -0.26 0.00 0.00 64.21 60.25 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 -1.02 7.33 3.04 0.12 -3.10 116.94 123.30 1ci5 h PHE 49 Ca -0.40 0.00 0.27 0.00 3.98 0.00 0.00 57.97 61.82 1ci5 h PHE 49 Cb 1.25 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 39.69 1ci5 h PHE 49 CO 0.54 0.47 0.68 1.57 -2.02 0.00 0.00 178.31 179.55 1ci5 h LYS 50 N 0.00 0.28 0.00 1.11 2.10 -1.76 1.16 116.57 119.47 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 0.95 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.22 1ci5 h LYS 50 CO 0.06 0.19 0.00 0.09 -2.00 0.00 0.00 179.45 177.79 1ci5 n ASN 51 N -4.49 0.00 -0.54 7.07 4.13 -1.17 -3.37 115.26 116.88 1ci5 n ASN 51 Ca 0.23 -0.53 0.01 0.00 1.68 0.00 0.00 54.58 55.98 1ci5 n ASN 51 Cb 0.91 -0.15 0.02 0.00 -1.54 0.00 0.00 39.78 39.02 1ci5 n ASN 51 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1ci5 n ARG 52 N -1.15 0.13 -4.11 3.52 1.74 0.37 -5.03 116.66 112.13 1ci5 n ARG 52 Ca 0.18 -1.24 -0.13 0.00 -0.77 0.00 0.00 57.85 55.89 1ci5 n ARG 52 Cb 0.17 -0.56 -0.11 0.00 -1.02 0.00 0.00 32.46 30.94 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 -0.28 0.68 -0.46 1.55 -7.23 0.63 0.11 120.40 115.40 1ci5 s VAL 53 Ca 0.06 -1.31 0.03 0.00 -1.81 0.00 0.00 61.98 58.95 1ci5 s VAL 53 Cb 0.06 -0.93 0.16 0.00 0.56 0.00 0.00 36.38 36.24 1ci5 s VAL 53 CO -0.01 -0.46 0.34 -0.31 -0.31 0.00 0.00 175.10 174.34 1ci5 s TYR 54 N -1.86 1.63 -0.13 2.82 2.02 0.53 -4.84 117.35 117.51 1ci5 s TYR 54 Ca -0.04 -2.45 -0.29 0.00 -0.37 0.00 0.00 57.07 53.92 1ci5 s TYR 54 Cb -0.07 -1.38 -0.01 0.00 -0.40 0.00 0.00 41.96 40.10 1ci5 s TYR 54 CO -0.00 -0.77 1.08 -1.17 -1.57 0.00 0.00 175.55 173.12 1ci5 s LEU 55 N -0.07 4.21 0.26 -1.29 2.96 -1.26 -0.84 118.68 122.65 1ci5 s LEU 55 Ca 0.28 1.57 -0.30 0.00 -0.22 0.00 0.00 54.13 55.46 1ci5 s LEU 55 Cb -0.05 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 43.00 1ci5 s LEU 55 CO -0.14 -0.56 1.21 -0.62 -1.32 0.00 0.00 176.35 174.91 1ci5 s ASP 56 N 1.29 7.05 -0.56 3.68 -1.08 0.31 -4.93 116.67 122.43 1ci5 s ASP 56 Ca 0.50 2.38 -0.01 0.00 -0.52 0.00 0.00 52.55 54.90 1ci5 s ASP 56 Cb -0.19 -2.62 0.43 0.00 -1.46 0.00 0.00 42.92 39.07 1ci5 s ASP 56 CO 0.16 -0.35 2.00 1.07 0.52 0.00 0.00 175.17 178.57 1ci5 n THR 57 N 1.65 3.38 0.00 1.71 5.66 -1.26 -3.61 114.28 121.81 1ci5 n THR 57 Ca 0.02 -2.51 0.00 0.00 -3.05 0.00 0.00 64.05 58.51 1ci5 n THR 57 Cb 0.44 -1.10 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 1.17 -3.05 0.00 0.00 175.07 173.19 1ci5 n LYS 58 N -0.69 0.00 -0.35 1.09 3.00 -1.26 -4.91 118.16 115.05 1ci5 n LYS 58 Ca 0.55 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.95 1ci5 n LYS 58 Cb 0.77 0.00 0.26 0.00 0.00 0.00 0.00 35.03 36.06 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 -1.89 3.71 0.00 3.14 2.88 -1.26 -0.31 113.62 119.88 1ci5 n SER 59 Ca 0.00 -2.17 0.00 0.00 -1.33 0.00 0.00 58.87 55.37 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 0.93 1.18 3.67 0.46 0.00 -1.24 -4.54 105.19 105.66 1ci5 n GLY 60 Ca 0.19 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.71 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 2.79 -4.79 1.61 7.64 -1.26 -4.59 113.62 115.01 1ci5 n SER 61 Ca 0.00 1.05 -0.36 0.00 1.01 0.00 0.00 58.87 60.57 1ci5 n SER 61 Cb 0.00 -1.30 -0.07 0.00 -1.01 0.00 0.00 64.21 61.83 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 2.52 4.18 -0.28 -3.43 2.96 -0.97 0.12 118.68 123.78 1ci5 s LEU 62 Ca 0.89 0.33 0.00 0.00 -0.22 0.00 0.00 54.13 55.13 1ci5 s LEU 62 Cb -0.82 -2.03 0.08 0.00 0.50 0.00 0.00 46.19 43.92 1ci5 s LEU 62 CO 0.51 0.33 0.04 -0.89 -1.32 0.00 0.00 176.35 175.01 1ci5 s THR 63 N -0.54 1.29 0.52 3.68 2.01 -0.02 0.20 115.64 122.78 1ci5 s THR 63 Ca 0.12 -1.44 -0.18 0.00 0.31 0.00 0.00 61.69 60.49 1ci5 s THR 63 Cb -0.12 -1.83 -0.07 0.00 0.01 0.00 0.00 72.50 70.49 1ci5 s THR 63 CO 0.02 -0.45 1.02 -0.63 -0.69 0.00 0.00 174.62 173.89 1ci5 s ILE 64 N 1.44 4.01 0.03 1.82 1.01 0.18 0.20 121.20 129.89 1ci5 s ILE 64 Ca 0.05 1.10 0.07 0.00 0.00 0.00 0.00 60.65 61.87 1ci5 s ILE 64 Cb -0.18 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 1ci5 s ILE 64 CO -0.15 -0.42 -0.21 -0.31 0.00 0.00 0.00 174.94 173.85 1ci5 s TYR 65 N -2.27 1.87 -0.14 3.97 1.51 0.30 -2.41 117.35 120.18 1ci5 s TYR 65 Ca 0.64 -0.37 -0.10 0.00 -1.01 0.00 0.00 57.07 56.23 1ci5 s TYR 65 Cb -0.14 -1.14 0.04 0.00 -0.11 0.00 0.00 41.96 40.61 1ci5 s TYR 65 CO 0.27 0.07 0.20 0.09 -1.11 0.00 0.00 175.55 175.06 1ci5 n ASN 66 N 1.98 -1.97 -4.90 2.29 4.13 -0.33 -4.69 115.26 111.78 1ci5 n ASN 66 Ca -0.17 1.30 -0.21 0.00 1.68 0.00 0.00 54.58 57.18 1ci5 n ASN 66 Cb 0.53 -4.54 -0.03 0.00 -1.54 0.00 0.00 39.78 34.20 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 -0.53 3.83 0.00 3.41 1.43 -1.20 -4.78 118.68 120.83 1ci5 s LEU 67 Ca -0.23 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1ci5 s LEU 67 Cb 0.02 -2.46 0.00 0.00 0.03 0.00 0.00 46.19 43.78 1ci5 s LEU 67 CO 0.62 -0.27 0.00 0.35 0.23 0.00 0.00 176.35 177.27 1ci5 n THR 68 N -1.40 0.00 0.50 5.49 -2.24 -1.26 -0.99 114.28 114.38 1ci5 n THR 68 Ca -0.04 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.87 1ci5 n THR 68 Cb 0.59 0.00 0.37 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 1.16 3.42 0.02 -1.98 -3.05 113.55 113.12 1ci5 h SER 69 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 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 -0.86 -1.28 -1.14 0.00 0.00 176.83 173.55 1ci5 h SER 70 N 0.00 0.00 0.92 3.07 0.87 -2.00 -3.29 113.55 113.12 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 0.76 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1ci5 h SER 70 CO 0.00 0.12 0.00 0.44 -0.53 0.00 0.00 176.83 176.86 1ci5 h ASP 71 N 0.00 0.00 -0.00 6.23 5.19 -1.92 -3.36 116.42 122.56 1ci5 h ASP 71 Ca -0.03 0.00 -0.66 0.00 -0.62 0.00 0.00 57.03 55.73 1ci5 h ASP 71 Cb 1.11 0.00 0.04 0.00 0.18 0.00 0.00 39.33 40.66 1ci5 h ASP 71 CO 0.01 0.00 2.38 1.21 -3.12 0.00 0.00 179.24 179.72 1ci5 n GLU 72 N -2.92 1.62 -4.19 3.56 2.13 -1.24 -4.74 120.64 114.86 1ci5 n GLU 72 Ca 0.01 -1.91 -0.11 0.00 0.66 0.00 0.00 57.16 55.80 1ci5 n GLU 72 Cb 0.28 -2.95 -0.10 0.00 0.27 0.00 0.00 31.44 28.94 1ci5 n GLU 72 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1ci5 s ASP 73 N 4.84 0.62 -0.35 4.31 1.01 -1.07 -4.90 116.67 121.13 1ci5 s ASP 73 Ca 0.56 -1.22 -0.26 0.00 0.71 0.00 0.00 52.55 52.34 1ci5 s ASP 73 Cb 0.14 0.24 0.01 0.00 1.01 0.00 0.00 42.92 44.33 1ci5 s ASP 73 CO 0.10 -0.69 0.92 -1.83 0.21 0.00 0.00 175.17 173.87 1ci5 s GLU 74 N -4.02 3.88 0.15 8.23 -1.05 -1.26 -1.81 118.70 122.82 1ci5 s GLU 74 Ca 0.26 0.63 -0.08 0.00 -0.15 0.00 0.00 54.97 55.63 1ci5 s GLU 74 Cb 0.07 -3.78 -0.06 0.00 -0.44 0.00 0.00 34.13 29.92 1ci5 s GLU 74 CO 0.04 -0.90 0.44 0.71 0.95 0.00 0.00 175.26 176.50 1ci5 s TYR 75 N 3.40 3.49 -0.06 4.83 1.51 -0.39 -3.79 117.35 126.34 1ci5 s TYR 75 Ca 0.38 0.73 0.04 0.00 -1.01 0.00 0.00 57.07 57.20 1ci5 s TYR 75 Cb -0.12 -2.13 0.00 0.00 -0.11 0.00 0.00 41.96 39.60 1ci5 s TYR 75 CO 0.17 0.41 -0.18 -2.00 -1.11 0.00 0.00 175.55 172.84 1ci5 s GLU 76 N -2.48 2.13 0.04 -0.62 -6.30 0.45 -0.66 118.70 111.26 1ci5 s GLU 76 Ca 0.41 -0.65 0.07 0.00 -2.50 0.00 0.00 54.97 52.30 1ci5 s GLU 76 Cb -0.12 -1.74 -0.03 0.00 0.00 0.00 0.00 34.13 32.23 1ci5 s GLU 76 CO 0.22 0.19 -0.18 0.00 0.02 0.00 0.00 175.26 175.50 1ci5 s MET 77 N 0.25 2.07 0.07 4.30 0.23 0.18 0.12 119.30 126.52 1ci5 s MET 77 Ca -0.10 -0.98 0.05 0.00 -1.03 0.00 0.00 55.69 53.63 1ci5 s MET 77 Cb -0.14 -2.19 -0.03 0.00 -1.53 0.00 0.00 34.83 30.94 1ci5 s MET 77 CO 0.04 0.54 -0.14 -2.00 -2.03 0.00 0.00 175.02 171.43 1ci5 s GLU 78 N -1.40 0.82 -0.27 3.16 -6.30 0.29 -1.11 118.70 113.89 1ci5 s GLU 78 Ca 0.14 -0.95 -0.25 0.00 -2.50 0.00 0.00 54.97 51.41 1ci5 s GLU 78 Cb -0.10 -0.83 0.11 0.00 0.00 0.00 0.00 34.13 33.31 1ci5 s GLU 78 CO 0.05 0.18 0.94 0.45 0.02 0.00 0.00 175.26 176.90 1ci5 s SER 79 N -1.72 -0.54 0.22 -1.70 0.15 -1.26 -0.35 113.70 108.50 1ci5 s SER 79 Ca -0.02 1.02 -0.08 0.00 0.70 0.00 0.00 55.95 57.57 1ci5 s SER 79 Cb -0.10 1.03 0.29 0.00 -1.71 0.00 0.00 66.02 65.53 1ci5 s SER 79 CO 0.02 -0.19 1.78 -0.65 1.20 0.00 0.00 173.24 175.41 1ci5 h PRO 80 N 4.36 0.58 -0.26 5.44 0.11 -1.93 -1.34 132.00 138.96 1ci5 h PRO 80 Ca -0.28 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.67 1ci5 h PRO 80 Cb 1.17 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1ci5 h PRO 80 CO 0.10 0.38 -0.35 -0.91 -0.21 0.00 0.00 178.00 177.02 1ci5 h ASN 81 N 0.60 0.59 -4.14 -2.05 2.35 -1.97 -3.45 115.58 107.51 1ci5 h ASN 81 Ca 0.33 -0.24 -0.54 0.00 -0.55 0.00 0.00 56.30 55.30 1ci5 h ASN 81 Cb 0.31 -0.16 0.19 0.00 0.05 0.00 0.00 38.32 38.70 1ci5 h ASN 81 CO -0.24 0.89 0.28 -0.38 -1.65 0.00 0.00 177.43 176.33 1ci5 n ILE 82 N -4.06 1.91 -0.25 2.81 2.08 -0.50 -4.92 119.36 116.43 1ci5 n ILE 82 Ca -0.01 -0.21 -0.07 0.00 0.56 0.00 0.00 62.75 63.03 1ci5 n ILE 82 Cb 0.48 -1.16 0.04 0.00 -0.75 0.00 0.00 39.64 38.25 1ci5 n ILE 82 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 1ci5 h THR 83 N -0.94 1.24 0.00 1.39 2.02 -1.86 -3.46 112.91 111.30 1ci5 h THR 83 Ca -0.46 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 65.95 1ci5 h THR 83 Cb 1.30 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1ci5 h THR 83 CO 0.45 0.31 0.00 0.47 0.37 0.00 0.00 175.52 177.12 1ci5 n ASP 84 N -4.38 0.00 -3.34 4.18 8.00 -1.26 -5.11 116.55 114.64 1ci5 n ASP 84 Ca 0.05 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.57 1ci5 n ASP 84 Cb 0.18 0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 41.31 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 1.56 -0.53 0.44 -2.24 1.04 -1.26 -4.15 113.70 108.55 1ci5 s SER 85 Ca 0.00 0.66 -0.10 0.00 0.48 0.00 0.00 55.95 56.99 1ci5 s SER 85 Cb 0.00 1.57 -0.06 0.00 0.10 0.00 0.00 66.02 67.64 1ci5 s SER 85 CO 0.00 -0.10 0.80 -0.04 0.98 0.00 0.00 173.24 174.87 1ci5 s MET 86 N 2.48 3.72 -0.35 4.02 -1.94 -0.27 -4.82 119.30 122.15 1ci5 s MET 86 Ca -0.01 0.44 0.00 0.00 -1.71 0.00 0.00 55.69 54.41 1ci5 s MET 86 Cb -0.06 -2.36 0.11 0.00 2.01 0.00 0.00 34.83 34.53 1ci5 s MET 86 CO -0.17 -0.11 0.14 0.15 -0.01 0.00 0.00 175.02 175.02 1ci5 s LYS 87 N -4.12 0.92 -0.27 2.03 3.01 -1.26 0.47 119.74 120.53 1ci5 s LYS 87 Ca 0.51 -1.40 -0.21 0.00 -1.01 0.00 0.00 55.97 53.86 1ci5 s LYS 87 Cb -0.10 -2.16 -0.01 0.00 -1.01 0.00 0.00 37.83 34.55 1ci5 s LYS 87 CO 0.35 -1.04 0.65 -0.06 0.51 0.00 0.00 175.35 175.77 1ci5 s PHE 88 N 1.20 3.26 -0.36 3.18 0.40 0.17 -3.13 117.98 122.71 1ci5 s PHE 88 Ca 0.12 0.79 -0.27 0.00 -0.60 0.00 0.00 56.93 56.97 1ci5 s PHE 88 Cb -0.20 -2.91 0.02 0.00 0.51 0.00 0.00 43.02 40.45 1ci5 s PHE 88 CO -0.16 -0.37 1.00 0.12 0.70 0.00 0.00 175.22 176.50 1ci5 s PHE 89 N 2.57 3.08 -0.10 0.36 2.19 0.63 -1.26 117.98 125.46 1ci5 s PHE 89 Ca 0.27 0.93 -0.19 0.00 0.33 0.00 0.00 56.93 58.26 1ci5 s PHE 89 Cb -0.15 -3.73 -0.04 0.00 -1.31 0.00 0.00 43.02 37.78 1ci5 s PHE 89 CO 0.09 -0.84 0.53 -1.17 1.83 0.00 0.00 175.22 175.66 1ci5 s LEU 90 N 3.63 4.30 -0.17 6.12 2.96 -0.75 0.14 118.68 134.91 1ci5 s LEU 90 Ca 0.42 0.91 0.00 0.00 -0.22 0.00 0.00 54.13 55.25 1ci5 s LEU 90 Cb -0.12 -2.78 0.01 0.00 0.50 0.00 0.00 46.19 43.80 1ci5 s LEU 90 CO 0.19 -0.01 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.73 1ci5 s TYR 91 N 0.57 2.78 -0.17 5.38 1.51 -0.31 -2.59 117.35 124.51 1ci5 s TYR 91 Ca 0.29 -1.26 -0.16 0.00 -1.01 0.00 0.00 57.07 54.93 1ci5 s TYR 91 Cb -0.16 -1.91 -0.04 0.00 -0.11 0.00 0.00 41.96 39.74 1ci5 s TYR 91 CO 0.12 -0.60 0.38 0.08 -1.11 0.00 0.00 175.55 174.41 1ci5 s VAL 92 N 1.02 5.23 0.44 0.71 1.01 -1.26 0.81 120.40 128.37 1ci5 s VAL 92 Ca -0.02 0.70 0.03 0.00 0.00 0.00 0.00 61.98 62.69 1ci5 s VAL 92 Cb -0.15 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1ci5 s VAL 92 CO -0.04 0.31 0.04 -0.83 0.00 0.00 0.00 175.10 174.58 1ci5 s GLY 93 N 0.79 2.70 -0.06 4.51 0.00 0.80 -4.91 107.32 111.16 1ci5 s GLY 93 Ca 0.19 -1.18 -0.06 0.00 0.00 0.00 0.00 44.72 43.67 1ci5 s GLY 93 CO 0.07 -2.04 0.61 0.83 0.00 0.00 0.00 173.10 172.57 1ci5 h GLU 94 N 1.64 0.29 0.00 2.90 5.08 -1.95 0.88 114.58 123.42 1ci5 h GLU 94 Ca -0.41 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 57.45 1ci5 h GLU 94 Cb 1.28 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.72 1ci5 h GLU 94 CO 0.70 1.18 0.00 -1.13 -1.00 0.00 0.00 179.01 178.76