#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 5.26 -0.07 6.43 1.04 -1.26 -4.78 113.70 120.32 1ci5 s SER 2 Ca 0.00 -0.71 -0.03 0.00 0.48 0.00 0.00 55.95 55.69 1ci5 s SER 2 Cb 0.00 -0.19 0.04 0.00 0.10 0.00 0.00 66.02 65.96 1ci5 s SER 2 CO 0.00 -0.99 0.17 -1.58 0.98 0.00 0.00 173.24 171.82 1ci5 s GLN 3 N -4.42 0.12 0.07 4.02 0.74 -1.05 -5.02 119.66 114.11 1ci5 s GLN 3 Ca 0.54 0.40 -0.20 0.00 0.05 0.00 0.00 55.36 56.15 1ci5 s GLN 3 Cb -0.07 -0.16 -0.07 0.00 1.10 0.00 0.00 33.01 33.82 1ci5 s GLN 3 CO 0.33 -0.16 0.58 -0.65 -0.55 0.00 0.00 175.29 174.84 1ci5 s GLN 4 N 1.14 4.23 0.17 1.67 -0.21 -1.26 -0.29 119.66 125.11 1ci5 s GLN 4 Ca -0.09 0.75 0.09 0.00 0.02 0.00 0.00 55.36 56.13 1ci5 s GLN 4 Cb -0.11 -3.25 -0.04 0.00 1.00 0.00 0.00 33.01 30.61 1ci5 s GLN 4 CO -0.06 0.61 -0.12 0.42 -2.12 0.00 0.00 175.29 174.01 1ci5 s ILE 5 N -1.01 3.05 -0.23 1.08 -1.09 0.30 -4.88 121.20 118.42 1ci5 s ILE 5 Ca 0.29 -1.66 -0.07 0.00 -2.23 0.00 0.00 60.65 56.98 1ci5 s ILE 5 Cb -0.19 -2.49 -0.03 0.00 -1.58 0.00 0.00 42.46 38.17 1ci5 s ILE 5 CO 0.19 -0.07 0.07 -0.31 -1.23 0.00 0.00 174.94 173.59 1ci5 s TYR 6 N -1.60 3.13 0.34 3.97 2.02 -1.26 -1.76 117.35 122.18 1ci5 s TYR 6 Ca 0.23 -0.26 0.03 0.00 -0.37 0.00 0.00 57.07 56.71 1ci5 s TYR 6 Cb -0.09 -2.19 -0.04 0.00 -0.40 0.00 0.00 41.96 39.24 1ci5 s TYR 6 CO 0.14 -0.20 0.12 0.20 -1.57 0.00 0.00 175.55 174.23 1ci5 s GLY 7 N 1.25 2.20 -0.10 0.71 0.00 0.13 -4.93 107.32 106.58 1ci5 s GLY 7 Ca 0.05 -1.67 -0.09 0.00 0.00 0.00 0.00 44.72 43.00 1ci5 s GLY 7 CO 0.03 -1.72 0.26 -1.34 0.00 0.00 0.00 173.10 170.34 1ci5 s VAL 8 N -3.43 0.00 0.25 1.40 -7.23 -1.26 -0.69 120.40 109.44 1ci5 s VAL 8 Ca 0.32 -0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 60.20 1ci5 s VAL 8 Cb 0.05 -0.37 -0.15 0.00 0.56 0.00 0.00 36.38 36.47 1ci5 s VAL 8 CO 0.16 -0.00 0.94 0.29 -0.31 0.00 0.00 175.10 176.18 1ci5 n LYS 9 N 2.93 1.06 -1.33 4.82 5.02 0.64 -0.04 118.16 131.26 1ci5 n LYS 9 Ca -0.13 0.37 -0.11 0.00 -2.02 0.00 0.00 58.31 56.42 1ci5 n LYS 9 Cb 0.58 -1.69 -0.05 0.00 -0.02 0.00 0.00 35.03 33.85 1ci5 n LYS 9 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1ci5 n TYR 10 N 0.40 0.00 -4.19 2.13 4.01 -0.83 -4.81 117.16 113.87 1ci5 n TYR 10 Ca 0.12 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.71 1ci5 n TYR 10 Cb 0.29 -2.36 -0.02 0.00 -0.31 0.00 0.00 39.34 36.93 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 -0.85 3.64 3.44 2.72 0.00 0.95 -4.73 105.19 110.36 1ci5 n GLY 11 Ca -0.11 -2.27 -0.22 0.00 0.00 0.00 0.00 46.02 43.41 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 -2.39 3.16 0.02 1.61 2.20 -1.26 -1.34 114.94 116.93 1ci5 s ASN 12 Ca 0.04 -1.09 -0.28 0.00 -0.94 0.00 0.00 52.86 50.59 1ci5 s ASN 12 Cb -0.00 -0.23 0.07 0.00 -2.00 0.00 0.00 41.25 39.08 1ci5 s ASN 12 CO 0.02 -0.13 0.66 -0.69 -2.94 0.00 0.00 177.10 174.02 1ci5 s VAL 13 N -2.76 0.00 0.07 3.54 1.01 -1.03 -4.76 120.40 116.47 1ci5 s VAL 13 Ca 0.28 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.33 1ci5 s VAL 13 Cb -0.01 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 1ci5 s VAL 13 CO 0.12 0.00 -0.20 -0.89 0.00 0.00 0.00 175.10 174.13 1ci5 s THR 14 N -2.11 1.60 -0.61 3.92 2.01 -1.26 -0.67 115.64 118.53 1ci5 s THR 14 Ca -0.06 -1.33 0.00 0.00 0.31 0.00 0.00 61.69 60.61 1ci5 s THR 14 Cb -0.00 -1.43 0.15 0.00 0.01 0.00 0.00 72.50 71.23 1ci5 s THR 14 CO 0.01 0.05 0.39 -0.36 -0.69 0.00 0.00 174.62 174.03 1ci5 s PHE 15 N -0.98 3.34 0.56 4.92 0.08 0.42 -4.95 117.98 121.37 1ci5 s PHE 15 Ca 0.06 -2.94 -0.20 0.00 0.12 0.00 0.00 56.93 53.97 1ci5 s PHE 15 Cb -0.09 -3.04 -0.05 0.00 -0.57 0.00 0.00 43.02 39.27 1ci5 s PHE 15 CO 0.03 -0.78 1.23 -1.01 -0.10 0.00 0.00 175.22 174.58 1ci5 s HIS 16 N -0.29 2.47 -0.09 0.36 3.76 -1.26 -2.16 115.29 118.07 1ci5 s HIS 16 Ca 0.18 1.49 0.01 0.00 -0.15 0.00 0.00 55.06 56.59 1ci5 s HIS 16 Cb -0.21 -3.52 0.02 0.00 1.11 0.00 0.00 32.58 29.98 1ci5 s HIS 16 CO -0.03 -2.19 -0.11 0.08 -0.85 0.00 0.00 174.74 171.64 1ci5 s VAL 17 N -1.53 1.14 -0.96 -0.90 1.01 -1.26 -4.92 120.40 112.97 1ci5 s VAL 17 Ca 0.74 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 62.19 1ci5 s VAL 17 Cb -0.32 -1.08 -0.08 0.00 0.00 0.00 0.00 36.38 34.90 1ci5 s VAL 17 CO 0.36 0.37 2.12 -0.81 0.00 0.00 0.00 175.10 177.14 1ci5 n PRO 18 N 4.35 2.08 -3.49 2.72 -0.04 -1.26 -4.83 135.00 134.54 1ci5 n PRO 18 Ca -0.18 -1.68 -0.42 0.00 -0.04 0.00 0.00 63.50 61.18 1ci5 n PRO 18 Cb 0.51 -2.65 -0.07 0.00 -0.04 0.00 0.00 33.50 31.25 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 3.76 5.88 0.03 3.54 0.15 -1.26 -4.98 113.70 120.82 1ci5 s SER 19 Ca 0.47 -2.03 -0.09 0.00 0.70 0.00 0.00 55.95 55.00 1ci5 s SER 19 Cb 0.12 -2.06 -0.04 0.00 -1.71 0.00 0.00 66.02 62.33 1ci5 s SER 19 CO 0.00 -0.70 1.15 -1.13 1.20 0.00 0.00 173.24 173.76 1ci5 h ASN 20 N 8.39 -0.46 -4.04 5.45 -1.24 -1.95 -3.42 115.58 118.30 1ci5 h ASN 20 Ca -0.19 0.05 -0.47 0.00 0.71 0.00 0.00 56.30 56.40 1ci5 h ASN 20 Cb 1.07 0.18 0.02 0.00 0.73 0.00 0.00 38.32 40.32 1ci5 h ASN 20 CO 0.88 -0.14 0.39 0.00 -1.29 0.00 0.00 177.43 177.28 1ci5 s GLN 21 N -3.73 3.91 0.33 6.67 -2.07 -1.26 -4.98 119.66 118.53 1ci5 s GLN 21 Ca -0.04 1.40 -0.28 0.00 -1.82 0.00 0.00 55.36 54.62 1ci5 s GLN 21 Cb 0.02 -2.22 -0.13 0.00 -1.09 0.00 0.00 33.01 29.59 1ci5 s GLN 21 CO 0.16 -0.34 1.17 -2.30 -1.32 0.00 0.00 175.29 172.66 1ci5 n PRO 22 N -0.71 1.80 -3.33 9.60 -0.02 -1.26 -4.87 135.00 136.21 1ci5 n PRO 22 Ca 0.08 0.63 -0.43 0.00 -2.02 0.00 0.00 63.50 61.76 1ci5 n PRO 22 Cb 0.52 -2.13 -0.09 0.00 -0.02 0.00 0.00 33.50 31.77 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 -0.46 4.84 0.04 2.45 1.43 0.25 -4.92 118.68 122.32 1ci5 s LEU 23 Ca 0.57 -0.65 0.06 0.00 -1.03 0.00 0.00 54.13 53.08 1ci5 s LEU 23 Cb -0.62 -2.37 -0.23 0.00 0.03 0.00 0.00 46.19 43.00 1ci5 s LEU 23 CO 0.61 -0.56 0.97 0.11 0.23 0.00 0.00 176.35 177.72 1ci5 h LYS 24 N 8.70 0.06 -4.64 1.70 1.79 -1.92 -3.41 116.57 118.85 1ci5 h LYS 24 Ca -0.27 -0.11 -0.58 0.00 -2.18 0.00 0.00 60.65 57.52 1ci5 h LYS 24 Cb 1.11 0.04 -0.35 0.00 -1.58 0.00 0.00 32.23 31.45 1ci5 h LYS 24 CO 0.78 0.87 -0.83 -2.00 -1.08 0.00 0.00 179.45 177.19 1ci5 s GLU 25 N -2.65 2.10 -0.15 3.15 2.12 -1.26 -3.54 118.70 118.47 1ci5 s GLU 25 Ca -0.03 -0.51 -0.07 0.00 0.36 0.00 0.00 54.97 54.72 1ci5 s GLU 25 Cb 0.09 -1.85 0.06 0.00 0.26 0.00 0.00 34.13 32.69 1ci5 s GLU 25 CO 0.83 -0.12 0.34 0.54 -0.54 0.00 0.00 175.26 176.31 1ci5 s VAL 26 N 1.17 -0.25 -0.27 3.70 0.11 -0.93 -4.18 120.40 119.75 1ci5 s VAL 26 Ca -0.03 0.16 0.01 0.00 -2.93 0.00 0.00 61.98 59.19 1ci5 s VAL 26 Cb -0.14 -0.53 0.05 0.00 -1.53 0.00 0.00 36.38 34.23 1ci5 s VAL 26 CO -0.04 0.07 -0.08 -0.22 -3.33 0.00 0.00 175.10 171.50 1ci5 s LEU 27 N 1.85 3.54 -0.15 2.54 2.96 0.09 0.12 118.68 129.62 1ci5 s LEU 27 Ca -0.05 -1.32 -0.17 0.00 -0.22 0.00 0.00 54.13 52.37 1ci5 s LEU 27 Cb -0.10 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 1ci5 s LEU 27 CO -0.11 -0.20 0.43 0.26 -1.32 0.00 0.00 176.35 175.41 1ci5 s TRP 28 N 1.16 3.47 0.19 5.38 0.52 0.99 0.12 118.94 130.76 1ci5 s TRP 28 Ca -0.07 0.77 0.10 0.00 0.02 0.00 0.00 56.10 56.92 1ci5 s TRP 28 Cb -0.20 -2.51 -0.04 0.00 -1.15 0.00 0.00 33.47 29.57 1ci5 s TRP 28 CO -0.04 0.13 -0.15 0.15 0.02 0.00 0.00 176.95 177.05 1ci5 s LYS 29 N 0.80 1.84 -0.27 4.98 -0.14 0.28 -1.32 119.74 125.92 1ci5 s LYS 29 Ca 0.23 -1.37 -0.04 0.00 -1.36 0.00 0.00 55.97 53.43 1ci5 s LYS 29 Cb -0.15 -2.03 0.09 0.00 -1.68 0.00 0.00 37.83 34.06 1ci5 s LYS 29 CO 0.08 0.42 0.11 0.21 -0.76 0.00 0.00 175.35 175.42 1ci5 s LYS 30 N -2.77 0.28 6.65 1.68 2.20 -0.45 -0.31 119.74 127.02 1ci5 s LYS 30 Ca 0.23 -0.53 0.00 0.00 -0.36 0.00 0.00 55.97 55.31 1ci5 s LYS 30 Cb -0.08 -1.46 0.00 0.00 -1.51 0.00 0.00 37.83 34.78 1ci5 s LYS 30 CO 0.13 -0.93 0.00 1.04 -0.36 0.00 0.00 175.35 175.23 1ci5 n GLN 31 N 5.18 0.00 -0.88 4.03 1.13 -1.25 -2.14 117.38 123.46 1ci5 n GLN 31 Ca -0.06 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.89 1ci5 n GLN 31 Cb 0.44 0.00 0.20 0.00 0.11 0.00 0.00 30.24 30.98 1ci5 n GLN 31 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1ci5 n LYS 32 N 13.30 2.64 -4.21 -1.09 4.01 -1.26 -4.91 118.16 126.64 1ci5 n LYS 32 Ca 0.00 -2.38 -0.12 0.00 -0.51 0.00 0.00 58.31 55.30 1ci5 n LYS 32 Cb 0.00 -1.98 -0.10 0.00 -0.51 0.00 0.00 35.03 32.44 1ci5 n LYS 32 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1ci5 s ASP 33 N -0.73 1.14 -0.04 4.39 -1.08 -0.91 -5.15 116.67 114.29 1ci5 s ASP 33 Ca 0.44 -1.11 -0.10 0.00 -0.52 0.00 0.00 52.55 51.26 1ci5 s ASP 33 Cb 0.36 0.12 -0.05 0.00 -1.46 0.00 0.00 42.92 41.89 1ci5 s ASP 33 CO 0.10 -0.54 0.28 -0.54 0.52 0.00 0.00 175.17 175.00 1ci5 s LYS 34 N -3.89 3.67 -0.05 4.34 -0.14 -1.26 -1.34 119.74 121.08 1ci5 s LYS 34 Ca 0.19 0.12 -0.05 0.00 -1.36 0.00 0.00 55.97 54.87 1ci5 s LYS 34 Cb 0.06 -3.17 -0.02 0.00 -1.68 0.00 0.00 37.83 33.02 1ci5 s LYS 34 CO 0.00 0.71 -0.10 0.28 -0.76 0.00 0.00 175.35 175.49 1ci5 n VAL 35 N 1.72 0.50 -4.08 3.17 0.31 -0.44 -4.44 118.33 115.08 1ci5 n VAL 35 Ca -0.16 0.34 -0.08 0.00 -0.01 0.00 0.00 64.34 64.43 1ci5 n VAL 35 Cb 0.53 -1.69 -0.10 0.00 -0.91 0.00 0.00 33.84 31.68 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 -2.81 0.49 -0.23 3.52 0.00 -0.87 -1.26 121.76 120.61 1ci5 s ALA 36 Ca -0.08 -1.19 -0.08 0.00 0.00 0.00 0.00 51.96 50.60 1ci5 s ALA 36 Cb 0.01 0.41 0.10 0.00 0.00 0.00 0.00 23.12 23.64 1ci5 s ALA 36 CO 0.12 -0.41 0.49 -2.00 0.00 0.00 0.00 175.76 173.96 1ci5 s GLU 37 N -3.94 0.41 -0.13 0.00 2.12 -0.46 -0.01 118.70 116.69 1ci5 s GLU 37 Ca 0.10 1.15 -0.07 0.00 0.36 0.00 0.00 54.97 56.51 1ci5 s GLU 37 Cb 0.08 0.47 -0.04 0.00 0.26 0.00 0.00 34.13 34.89 1ci5 s GLU 37 CO -0.08 -0.23 0.12 -1.17 -0.54 0.00 0.00 175.26 173.36 1ci5 s LEU 38 N 2.61 4.25 -0.24 2.70 2.96 0.31 -2.31 118.68 128.96 1ci5 s LEU 38 Ca -0.04 0.38 -0.09 0.00 -0.22 0.00 0.00 54.13 54.17 1ci5 s LEU 38 Cb -0.12 -2.04 0.11 0.00 0.50 0.00 0.00 46.19 44.64 1ci5 s LEU 38 CO -0.15 0.36 0.52 -0.70 -1.32 0.00 0.00 176.35 175.07 1ci5 s GLU 39 N -0.75 0.44 -1.10 1.98 2.12 -0.14 -2.18 118.70 119.08 1ci5 s GLU 39 Ca 0.13 1.21 -0.20 0.00 0.36 0.00 0.00 54.97 56.48 1ci5 s GLU 39 Cb -0.12 0.54 -0.01 0.00 0.26 0.00 0.00 34.13 34.80 1ci5 s GLU 39 CO 0.03 -0.22 0.78 0.09 -0.54 0.00 0.00 175.26 175.39 1ci5 n ASN 40 N 5.34 -5.41 -1.88 -1.70 3.02 -1.23 -0.47 115.26 112.93 1ci5 n ASN 40 Ca -0.11 -0.98 -0.16 0.00 -0.03 0.00 0.00 54.58 53.30 1ci5 n ASN 40 Cb 0.50 -3.32 -0.04 0.00 -0.61 0.00 0.00 39.78 36.30 1ci5 n ASN 40 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1ci5 n SER 41 N -2.61 -4.38 -4.01 6.41 3.41 -1.26 -4.92 113.62 106.26 1ci5 n SER 41 Ca -0.10 0.27 -0.31 0.00 -0.26 0.00 0.00 58.87 58.47 1ci5 n SER 41 Cb 0.59 -3.85 -0.15 0.00 -0.26 0.00 0.00 64.21 60.54 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 -4.08 1.47 -0.16 4.33 2.12 0.38 -5.09 118.70 117.67 1ci5 s GLU 42 Ca 0.00 -1.86 -0.16 0.00 0.36 0.00 0.00 54.97 53.30 1ci5 s GLU 42 Cb 0.00 -3.18 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 1ci5 s GLU 42 CO 0.00 -0.94 0.41 0.12 -0.54 0.00 0.00 175.26 174.31 1ci5 s PHE 43 N 0.91 3.45 -0.19 5.30 5.36 -1.26 -0.96 117.98 130.59 1ci5 s PHE 43 Ca 0.11 0.73 -0.12 0.00 -0.96 0.00 0.00 56.93 56.70 1ci5 s PHE 43 Cb -0.19 -2.50 0.06 0.00 -0.34 0.00 0.00 43.02 40.05 1ci5 s PHE 43 CO -0.08 0.12 0.46 -0.98 -1.46 0.00 0.00 175.22 173.28 1ci5 s ARG 44 N 0.85 0.47 0.25 10.12 1.70 -0.98 -5.02 118.95 126.34 1ci5 s ARG 44 Ca 0.22 0.83 0.07 0.00 -0.47 0.00 0.00 55.73 56.38 1ci5 s ARG 44 Cb -0.14 0.05 -0.04 0.00 -0.57 0.00 0.00 34.95 34.25 1ci5 s ARG 44 CO 0.08 -0.14 0.21 0.00 -1.08 0.00 0.00 175.30 174.36 1ci5 s ALA 45 N 1.24 3.61 0.17 7.88 0.00 -1.26 -1.36 121.76 132.03 1ci5 s ALA 45 Ca -0.08 -1.40 0.02 0.00 0.00 0.00 0.00 51.96 50.49 1ci5 s ALA 45 Cb -0.07 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 21.74 1ci5 s ALA 45 CO -0.12 0.25 0.15 1.19 0.00 0.00 0.00 175.76 177.24 1ci5 n PHE 46 N -1.18 -1.68 -3.85 0.00 3.01 -0.39 -4.48 117.46 108.90 1ci5 n PHE 46 Ca -0.08 -0.67 -0.30 0.00 1.01 0.00 0.00 57.45 57.41 1ci5 n PHE 46 Cb 0.58 -0.14 -0.03 0.00 -0.01 0.00 0.00 39.48 39.87 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 -2.20 -2.56 -1.87 4.37 2.88 -1.26 0.74 113.62 113.72 1ci5 n SER 47 Ca 0.01 -0.70 -0.12 0.00 -1.33 0.00 0.00 58.87 56.73 1ci5 n SER 47 Cb 0.18 -2.17 -0.03 0.00 -0.75 0.00 0.00 64.21 61.44 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 -2.31 -3.49 0.18 -3.46 3.41 -1.26 -4.79 113.62 101.89 1ci5 n SER 48 Ca 0.06 0.25 0.13 0.00 -0.26 0.00 0.00 58.87 59.05 1ci5 n SER 48 Cb 0.49 -3.14 0.38 0.00 -0.26 0.00 0.00 64.21 61.68 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 -0.93 7.33 3.57 0.05 -3.30 116.94 123.66 1ci5 h PHE 49 Ca -0.27 0.00 0.26 0.00 3.53 0.00 0.00 57.97 61.49 1ci5 h PHE 49 Cb 0.99 0.00 -0.14 0.00 2.79 0.00 0.00 35.95 39.59 1ci5 h PHE 49 CO 0.51 0.00 0.42 0.87 -2.23 0.00 0.00 178.31 177.88 1ci5 h LYS 50 N 0.00 0.33 0.00 1.11 1.57 -1.79 1.15 116.57 118.94 1ci5 h LYS 50 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1ci5 h LYS 50 Cb 0.74 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1ci5 h LYS 50 CO 0.00 0.22 0.00 0.09 -0.57 0.00 0.00 179.45 179.19 1ci5 n ASN 51 N -5.08 0.00 -0.54 0.86 4.13 -1.24 -3.15 115.26 110.24 1ci5 n ASN 51 Ca 0.25 -0.30 0.05 0.00 1.68 0.00 0.00 54.58 56.26 1ci5 n ASN 51 Cb 0.77 -0.21 0.09 0.00 -1.54 0.00 0.00 39.78 38.89 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 -1.21 0.75 -4.15 3.52 5.12 0.38 -4.97 116.66 116.09 1ci5 n ARG 52 Ca 0.15 -2.16 -0.09 0.00 -1.93 0.00 0.00 57.85 53.82 1ci5 n ARG 52 Cb 0.18 -0.98 -0.10 0.00 -1.16 0.00 0.00 32.46 30.41 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 -1.61 0.49 -0.45 1.55 -7.23 -0.01 -0.43 120.40 112.71 1ci5 s VAL 53 Ca 0.24 -1.89 0.07 0.00 -1.81 0.00 0.00 61.98 58.58 1ci5 s VAL 53 Cb 0.23 -1.68 0.23 0.00 0.56 0.00 0.00 36.38 35.73 1ci5 s VAL 53 CO -0.03 -0.87 0.69 0.00 -0.31 0.00 0.00 175.10 174.58 1ci5 n TYR 54 N -0.01 -2.12 -2.35 2.82 9.36 0.32 -4.87 117.16 120.31 1ci5 n TYR 54 Ca -0.12 -2.50 -0.39 0.00 3.32 0.00 0.00 57.90 58.21 1ci5 n TYR 54 Cb 0.61 0.75 -0.03 0.00 -0.63 0.00 0.00 39.34 40.04 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 -0.61 4.36 0.83 2.98 2.96 -1.26 -1.84 118.68 126.10 1ci5 s LEU 55 Ca 0.33 2.36 -0.12 0.00 -0.22 0.00 0.00 54.13 56.48 1ci5 s LEU 55 Cb 0.16 -3.82 0.09 0.00 0.50 0.00 0.00 46.19 43.12 1ci5 s LEU 55 CO -0.17 -0.44 1.14 -0.62 -1.32 0.00 0.00 176.35 174.93 1ci5 s ASP 56 N -0.96 4.23 -0.27 3.68 2.15 0.18 -4.93 116.67 120.75 1ci5 s ASP 56 Ca 0.51 0.98 0.10 0.00 0.43 0.00 0.00 52.55 54.57 1ci5 s ASP 56 Cb -0.32 -1.58 0.46 0.00 -0.30 0.00 0.00 42.92 41.18 1ci5 s ASP 56 CO 0.41 -2.10 1.18 1.07 -0.17 0.00 0.00 175.17 175.57 1ci5 n THR 57 N -3.47 2.29 0.01 1.71 5.66 -1.26 -4.48 114.28 114.74 1ci5 n THR 57 Ca 0.07 -3.90 0.00 0.00 -3.05 0.00 0.00 64.05 57.17 1ci5 n THR 57 Cb 0.59 -0.69 0.00 0.00 -1.55 0.00 0.00 70.33 68.68 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 -0.72 0.00 0.02 1.09 0.00 -1.26 -4.84 118.16 112.45 1ci5 n LYS 58 Ca 0.36 0.00 0.13 0.00 0.00 0.00 0.00 58.31 58.80 1ci5 n LYS 58 Cb 0.92 0.00 0.37 0.00 0.00 0.00 0.00 35.03 36.33 1ci5 n LYS 58 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1ci5 n SER 59 N -2.55 0.39 0.00 3.14 3.41 -1.26 0.86 113.62 117.60 1ci5 n SER 59 Ca 0.00 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1ci5 n SER 59 Cb 0.00 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 1ci5 n SER 59 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ci5 n GLY 60 N 1.46 1.09 3.65 5.00 0.00 -1.26 -4.42 105.19 110.71 1ci5 n GLY 60 Ca 0.06 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.61 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 2.80 -4.68 1.61 7.64 -1.26 -4.53 113.62 115.21 1ci5 n SER 61 Ca 0.00 1.09 -0.35 0.00 1.01 0.00 0.00 58.87 60.62 1ci5 n SER 61 Cb 0.00 -1.38 -0.09 0.00 -1.01 0.00 0.00 64.21 61.73 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 0.79 3.83 -0.28 -3.43 2.96 -0.92 0.50 118.68 122.14 1ci5 s LEU 62 Ca 0.79 0.15 0.03 0.00 -0.22 0.00 0.00 54.13 54.88 1ci5 s LEU 62 Cb -0.73 -1.94 0.08 0.00 0.50 0.00 0.00 46.19 44.10 1ci5 s LEU 62 CO 0.40 0.26 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.77 1ci5 s THR 63 N -0.15 1.99 0.56 3.68 2.01 -0.77 0.16 115.64 123.12 1ci5 s THR 63 Ca 0.07 -1.77 -0.15 0.00 0.31 0.00 0.00 61.69 60.16 1ci5 s THR 63 Cb -0.12 -2.27 -0.06 0.00 0.01 0.00 0.00 72.50 70.05 1ci5 s THR 63 CO 0.01 -0.27 1.00 -0.63 -0.69 0.00 0.00 174.62 174.05 1ci5 s ILE 64 N 1.13 4.54 0.05 1.82 1.01 0.16 0.12 121.20 130.02 1ci5 s ILE 64 Ca -0.01 1.08 0.06 0.00 0.00 0.00 0.00 60.65 61.79 1ci5 s ILE 64 Cb -0.19 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 1ci5 s ILE 64 CO -0.08 -0.83 -0.17 -0.31 0.00 0.00 0.00 174.94 173.56 1ci5 s TYR 65 N -2.80 1.48 -0.22 3.97 2.02 0.43 -2.46 117.35 119.76 1ci5 s TYR 65 Ca 0.58 -0.37 -0.01 0.00 -0.37 0.00 0.00 57.07 56.90 1ci5 s TYR 65 Cb -0.11 -0.87 0.01 0.00 -0.40 0.00 0.00 41.96 40.59 1ci5 s TYR 65 CO 0.39 0.07 0.03 0.09 -1.57 0.00 0.00 175.55 174.56 1ci5 n ASN 66 N 1.81 -6.91 -4.93 2.29 4.13 -0.45 -4.75 115.26 106.45 1ci5 n ASN 66 Ca -0.18 1.20 -0.25 0.00 1.68 0.00 0.00 54.58 57.03 1ci5 n ASN 66 Cb 0.54 -4.42 -0.00 0.00 -1.54 0.00 0.00 39.78 34.36 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 -1.35 3.81 0.00 3.41 1.43 -1.11 -4.80 118.68 120.08 1ci5 s LEU 67 Ca -0.03 0.63 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 1ci5 s LEU 67 Cb 0.00 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1ci5 s LEU 67 CO 0.60 -0.46 0.00 0.35 0.23 0.00 0.00 176.35 177.07 1ci5 n THR 68 N -2.02 0.00 0.24 5.49 -2.24 -1.26 -1.96 114.28 112.53 1ci5 n THR 68 Ca -0.02 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.89 1ci5 n THR 68 Cb 0.56 0.00 0.24 0.00 -2.10 0.00 0.00 70.33 69.03 1ci5 n THR 68 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1ci5 h SER 69 N 0.00 0.00 1.43 3.42 4.64 -1.99 -3.07 113.55 117.98 1ci5 h SER 69 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1ci5 h SER 69 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1ci5 h SER 69 CO 0.00 0.00 -0.59 0.28 -0.87 0.00 0.00 176.83 175.65 1ci5 h SER 70 N 0.00 0.00 0.61 4.97 0.02 -2.00 -3.23 113.55 113.92 1ci5 h SER 70 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ci5 h SER 70 Cb 0.93 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.47 1ci5 h SER 70 CO 0.00 0.28 -0.01 0.44 -1.14 0.00 0.00 176.83 176.40 1ci5 h ASP 71 N 0.00 0.00 -0.10 3.07 5.19 -1.92 -3.35 116.42 119.30 1ci5 h ASP 71 Ca -0.03 0.00 -0.64 0.00 -0.62 0.00 0.00 57.03 55.75 1ci5 h ASP 71 Cb 1.24 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.75 1ci5 h ASP 71 CO 0.03 0.01 2.39 1.21 -3.12 0.00 0.00 179.24 179.76 1ci5 n GLU 72 N -3.11 1.98 -4.13 3.56 0.00 -1.22 -4.67 120.64 113.05 1ci5 n GLU 72 Ca -0.01 -2.20 -0.11 0.00 0.00 0.00 0.00 57.16 54.84 1ci5 n GLU 72 Cb 0.21 -3.14 -0.08 0.00 0.00 0.00 0.00 31.44 28.43 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 4.62 0.08 -0.35 4.31 1.01 -0.99 -4.89 116.67 120.46 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 0.12 0.44 0.01 0.00 1.01 0.00 0.00 42.92 44.50 1ci5 s ASP 73 CO 0.06 -0.93 0.92 -1.61 0.21 0.00 0.00 175.17 173.82 1ci5 s GLU 74 N -4.10 3.88 0.15 8.23 2.02 -1.26 -1.52 118.70 126.10 1ci5 s GLU 74 Ca 0.32 0.63 -0.08 0.00 0.02 0.00 0.00 54.97 55.86 1ci5 s GLU 74 Cb 0.05 -3.78 -0.06 0.00 0.10 0.00 0.00 34.13 30.43 1ci5 s GLU 74 CO 0.10 -0.90 0.43 0.71 0.02 0.00 0.00 175.26 175.63 1ci5 s TYR 75 N 3.40 3.50 0.29 1.61 1.51 -0.35 -3.78 117.35 123.52 1ci5 s TYR 75 Ca 0.38 0.71 0.07 0.00 -1.01 0.00 0.00 57.07 57.22 1ci5 s TYR 75 Cb -0.12 -2.12 -0.06 0.00 -0.11 0.00 0.00 41.96 39.55 1ci5 s TYR 75 CO 0.17 0.42 -0.06 -1.21 -1.11 0.00 0.00 175.55 173.75 1ci5 s GLU 76 N -2.47 1.58 -0.06 -0.62 2.02 0.58 -1.26 118.70 118.47 1ci5 s GLU 76 Ca 0.40 -1.80 -0.03 0.00 0.02 0.00 0.00 54.97 53.56 1ci5 s GLU 76 Cb -0.12 -1.23 0.04 0.00 0.10 0.00 0.00 34.13 32.92 1ci5 s GLU 76 CO 0.22 0.05 0.11 1.41 0.02 0.00 0.00 175.26 177.07 1ci5 s MET 77 N -3.71 -0.02 -0.33 1.61 1.75 0.70 0.10 119.30 119.40 1ci5 s MET 77 Ca 0.30 0.46 -0.09 0.00 -1.25 0.00 0.00 55.69 55.11 1ci5 s MET 77 Cb 0.03 -0.38 0.01 0.00 2.84 0.00 0.00 34.83 37.33 1ci5 s MET 77 CO 0.12 -0.31 0.15 -1.21 -0.65 0.00 0.00 175.02 173.13 1ci5 s GLU 78 N 2.18 3.10 -0.03 4.11 8.01 0.33 -1.43 118.70 134.97 1ci5 s GLU 78 Ca 0.03 -0.88 0.05 0.00 0.01 0.00 0.00 54.97 54.19 1ci5 s GLU 78 Cb -0.12 -3.58 -0.01 0.00 -4.31 0.00 0.00 34.13 26.11 1ci5 s GLU 78 CO -0.04 -0.52 -0.18 0.45 0.01 0.00 0.00 175.26 174.98 1ci5 s SER 79 N 1.57 2.13 0.21 -0.19 0.15 -1.26 -0.74 113.70 115.56 1ci5 s SER 79 Ca 0.03 -0.34 -0.04 0.00 0.70 0.00 0.00 55.95 56.31 1ci5 s SER 79 Cb -0.18 -0.38 0.16 0.00 -1.71 0.00 0.00 66.02 63.91 1ci5 s SER 79 CO 0.06 0.19 1.58 1.55 1.20 0.00 0.00 173.24 177.82 1ci5 h PRO 80 N 5.92 0.69 -0.17 5.44 0.13 -1.96 -3.13 132.00 138.92 1ci5 h PRO 80 Ca -0.35 -0.33 -0.22 0.00 -0.87 0.00 0.00 66.00 64.23 1ci5 h PRO 80 Cb 1.16 -0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.29 1ci5 h PRO 80 CO 0.48 0.94 -0.74 -0.91 -0.23 0.00 0.00 178.00 177.54 1ci5 h ASN 81 N 0.58 0.93 -3.82 1.44 2.35 -1.96 -3.45 115.58 111.64 1ci5 h ASN 81 Ca 0.06 -0.59 -0.56 0.00 -0.55 0.00 0.00 56.30 54.66 1ci5 h ASN 81 Cb 0.87 -0.27 0.15 0.00 0.05 0.00 0.00 38.32 39.12 1ci5 h ASN 81 CO 0.08 1.39 0.43 -0.38 -1.65 0.00 0.00 177.43 177.29 1ci5 n ILE 82 N -3.94 3.83 -0.06 2.81 5.41 -1.18 -4.92 119.36 121.30 1ci5 n ILE 82 Ca -0.07 -0.50 -0.15 0.00 1.00 0.00 0.00 62.75 63.03 1ci5 n ILE 82 Cb 0.73 -1.46 -0.04 0.00 -0.71 0.00 0.00 39.64 38.16 1ci5 n ILE 82 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1ci5 h THR 83 N 1.07 1.28 0.00 1.39 2.02 -1.87 -3.45 112.91 113.35 1ci5 h THR 83 Ca -0.50 -1.79 0.00 0.00 0.77 0.00 0.00 66.41 64.89 1ci5 h THR 83 Cb 1.33 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.46 1ci5 h THR 83 CO 0.55 0.58 0.00 0.47 0.37 0.00 0.00 175.52 177.49 1ci5 n ASP 84 N -3.99 0.00 0.00 4.18 9.92 -1.26 -5.14 116.55 120.27 1ci5 n ASP 84 Ca -0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 1ci5 n ASP 84 Cb 0.66 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.14 1ci5 n ASP 84 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1ci5 n SER 85 N -0.57 0.00 -4.91 -2.24 7.64 -1.26 -4.62 113.62 107.65 1ci5 n SER 85 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1ci5 n SER 85 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1ci5 n SER 85 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1ci5 s MET 86 N -2.00 3.52 -0.40 1.43 1.75 -0.52 -4.89 119.30 118.19 1ci5 s MET 86 Ca 0.00 -0.30 0.04 0.00 -1.25 0.00 0.00 55.69 54.18 1ci5 s MET 86 Cb 0.00 -2.93 0.16 0.00 2.84 0.00 0.00 34.83 34.90 1ci5 s MET 86 CO 0.00 0.52 0.43 0.15 -0.65 0.00 0.00 175.02 175.47 1ci5 s LYS 87 N -2.71 0.77 -0.24 4.11 3.01 -1.26 -0.22 119.74 123.21 1ci5 s LYS 87 Ca 0.38 -1.16 -0.08 0.00 -1.01 0.00 0.00 55.97 54.10 1ci5 s LYS 87 Cb -0.12 -0.75 -0.04 0.00 -1.01 0.00 0.00 37.83 35.91 1ci5 s LYS 87 CO 0.27 -1.26 0.10 -0.06 0.51 0.00 0.00 175.35 174.91 1ci5 s PHE 88 N 1.05 3.16 -0.36 3.18 0.40 -0.39 -2.53 117.98 122.49 1ci5 s PHE 88 Ca 0.22 -0.16 -0.25 0.00 -0.60 0.00 0.00 56.93 56.14 1ci5 s PHE 88 Cb -0.09 -2.24 0.01 0.00 0.51 0.00 0.00 43.02 41.21 1ci5 s PHE 88 CO -0.06 -0.19 0.87 0.12 0.70 0.00 0.00 175.22 176.66 1ci5 s PHE 89 N 1.37 3.11 -0.00 0.36 2.19 0.61 -1.21 117.98 124.40 1ci5 s PHE 89 Ca 0.06 0.73 -0.18 0.00 0.33 0.00 0.00 56.93 57.86 1ci5 s PHE 89 Cb -0.15 -3.52 -0.06 0.00 -1.31 0.00 0.00 43.02 37.99 1ci5 s PHE 89 CO 0.05 -0.76 0.51 -1.17 1.83 0.00 0.00 175.22 175.68 1ci5 s LEU 90 N 3.30 4.44 -0.15 6.12 2.96 -0.57 0.11 118.68 134.88 1ci5 s LEU 90 Ca 0.36 1.07 0.01 0.00 -0.22 0.00 0.00 54.13 55.35 1ci5 s LEU 90 Cb -0.13 -2.78 0.02 0.00 0.50 0.00 0.00 46.19 43.80 1ci5 s LEU 90 CO 0.17 0.19 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.89 1ci5 s TYR 91 N -0.52 2.52 -0.17 5.38 1.51 -0.72 -2.33 117.35 123.01 1ci5 s TYR 91 Ca 0.27 -1.39 -0.16 0.00 -1.01 0.00 0.00 57.07 54.79 1ci5 s TYR 91 Cb -0.18 -1.76 -0.04 0.00 -0.11 0.00 0.00 41.96 39.87 1ci5 s TYR 91 CO 0.15 -0.69 0.38 0.08 -1.11 0.00 0.00 175.55 174.37 1ci5 s VAL 92 N 1.17 5.23 0.44 0.71 1.01 -1.26 0.20 120.40 127.89 1ci5 s VAL 92 Ca 0.00 0.70 0.03 0.00 0.00 0.00 0.00 61.98 62.72 1ci5 s VAL 92 Cb -0.14 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1ci5 s VAL 92 CO -0.08 0.31 0.06 -0.83 0.00 0.00 0.00 175.10 174.56 1ci5 s GLY 93 N 0.79 2.70 -0.02 4.51 0.00 0.14 -4.90 107.32 110.54 1ci5 s GLY 93 Ca 0.19 -1.10 -0.06 0.00 0.00 0.00 0.00 44.72 43.76 1ci5 s GLY 93 CO 0.07 -1.99 0.77 0.83 0.00 0.00 0.00 173.10 172.78 1ci5 h GLU 94 N 1.66 0.31 0.00 2.90 5.08 -1.95 0.18 114.58 122.76 1ci5 h GLU 94 Ca -0.40 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 57.43 1ci5 h GLU 94 Cb 1.28 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.73 1ci5 h GLU 94 CO 0.67 1.19 0.00 0.43 -1.00 0.00 0.00 179.01 180.30