#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 5.01 -0.06 6.43 0.01 -1.26 -4.70 113.70 119.13 1ci5 s SER 2 Ca 0.00 -0.89 -0.11 0.00 1.31 0.00 0.00 55.95 56.27 1ci5 s SER 2 Cb 0.00 -0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.21 1ci5 s SER 2 CO 0.00 -0.99 0.26 -1.58 0.41 0.00 0.00 173.24 171.34 1ci5 s GLN 3 N -4.35 0.45 -0.03 12.44 0.74 -1.20 -5.04 119.66 122.67 1ci5 s GLN 3 Ca 0.49 0.10 0.02 0.00 0.05 0.00 0.00 55.36 56.02 1ci5 s GLN 3 Cb -0.04 0.20 -0.03 0.00 1.10 0.00 0.00 33.01 34.24 1ci5 s GLN 3 CO 0.30 -0.09 -0.05 1.14 -0.55 0.00 0.00 175.29 176.03 1ci5 s GLN 4 N -0.50 2.68 0.20 1.67 -2.07 -1.26 0.70 119.66 121.07 1ci5 s GLN 4 Ca -0.06 -0.62 0.10 0.00 -1.82 0.00 0.00 55.36 52.96 1ci5 s GLN 4 Cb -0.04 -2.57 -0.04 0.00 -1.09 0.00 0.00 33.01 29.27 1ci5 s GLN 4 CO 0.02 0.63 -0.17 0.42 -1.32 0.00 0.00 175.29 174.87 1ci5 s ILE 5 N -0.93 2.74 -0.27 3.63 -1.09 0.37 -4.89 121.20 120.76 1ci5 s ILE 5 Ca 0.15 -1.90 -0.05 0.00 -2.23 0.00 0.00 60.65 56.62 1ci5 s ILE 5 Cb -0.11 -2.35 0.01 0.00 -1.58 0.00 0.00 42.46 38.43 1ci5 s ILE 5 CO 0.05 -0.14 0.02 -0.31 -1.23 0.00 0.00 174.94 173.33 1ci5 s TYR 6 N -1.77 3.09 0.45 3.97 2.02 -1.26 -1.92 117.35 121.94 1ci5 s TYR 6 Ca 0.23 -1.07 0.04 0.00 -0.37 0.00 0.00 57.07 55.90 1ci5 s TYR 6 Cb -0.08 -2.18 -0.04 0.00 -0.40 0.00 0.00 41.96 39.26 1ci5 s TYR 6 CO 0.13 -0.59 0.02 0.20 -1.57 0.00 0.00 175.55 173.74 1ci5 s GLY 7 N 1.46 2.73 -0.11 0.71 0.00 0.20 -4.94 107.32 107.37 1ci5 s GLY 7 Ca 0.03 -1.24 -0.10 0.00 0.00 0.00 0.00 44.72 43.40 1ci5 s GLY 7 CO -0.00 -2.09 0.29 -1.34 0.00 0.00 0.00 173.10 169.96 1ci5 s VAL 8 N -2.90 0.00 0.19 1.40 -7.23 -1.26 -0.58 120.40 110.01 1ci5 s VAL 8 Ca 0.20 -0.02 -0.32 0.00 -1.81 0.00 0.00 61.98 60.03 1ci5 s VAL 8 Cb 0.05 -0.42 -0.16 0.00 0.56 0.00 0.00 36.38 36.41 1ci5 s VAL 8 CO 0.10 -0.01 1.04 1.17 -0.31 0.00 0.00 175.10 177.09 1ci5 n LYS 9 N 2.87 0.97 -1.68 4.82 3.00 0.14 0.17 118.16 128.44 1ci5 n LYS 9 Ca -0.13 0.34 -0.17 0.00 -0.00 0.00 0.00 58.31 58.35 1ci5 n LYS 9 Cb 0.58 -1.75 -0.06 0.00 0.00 0.00 0.00 35.03 33.80 1ci5 n LYS 9 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1ci5 n TYR 10 N 1.05 -0.19 -4.33 5.64 4.01 -0.86 -4.81 117.16 117.68 1ci5 n TYR 10 Ca 0.15 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.71 1ci5 n TYR 10 Cb 0.25 -3.02 -0.03 0.00 -0.31 0.00 0.00 39.34 36.23 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 -0.93 3.71 3.47 2.72 0.00 0.13 -4.72 105.19 109.57 1ci5 n GLY 11 Ca -0.18 -2.29 -0.24 0.00 0.00 0.00 0.00 46.02 43.31 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 -2.61 3.62 -0.00 1.61 2.20 -1.26 -1.48 114.94 117.01 1ci5 s ASN 12 Ca 0.02 -1.00 -0.29 0.00 -0.94 0.00 0.00 52.86 50.66 1ci5 s ASN 12 Cb -0.00 -0.32 0.07 0.00 -2.00 0.00 0.00 41.25 38.99 1ci5 s ASN 12 CO 0.02 0.05 0.65 -0.69 -2.94 0.00 0.00 177.10 174.18 1ci5 s VAL 13 N -2.42 0.00 0.00 3.54 1.01 -1.00 -4.74 120.40 116.79 1ci5 s VAL 13 Ca 0.29 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.30 1ci5 s VAL 13 Cb -0.05 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 1ci5 s VAL 13 CO 0.15 -0.01 -0.16 -0.89 0.00 0.00 0.00 175.10 174.19 1ci5 s THR 14 N -1.75 1.24 -0.61 3.92 2.01 -1.26 -0.55 115.64 118.64 1ci5 s THR 14 Ca -0.08 -0.78 -0.07 0.00 0.31 0.00 0.00 61.69 61.07 1ci5 s THR 14 Cb -0.00 -1.06 0.16 0.00 0.01 0.00 0.00 72.50 71.61 1ci5 s THR 14 CO 0.05 0.26 0.47 -0.36 -0.69 0.00 0.00 174.62 174.35 1ci5 s PHE 15 N -0.50 3.50 0.35 4.92 0.08 0.38 -4.95 117.98 121.76 1ci5 s PHE 15 Ca 0.05 -2.33 -0.28 0.00 0.12 0.00 0.00 56.93 54.50 1ci5 s PHE 15 Cb -0.07 -3.41 -0.10 0.00 -0.57 0.00 0.00 43.02 38.88 1ci5 s PHE 15 CO 0.00 -0.92 1.27 -1.01 -0.10 0.00 0.00 175.22 174.45 1ci5 s HIS 16 N 0.44 3.06 -0.14 0.36 3.76 -1.26 -2.26 115.29 119.25 1ci5 s HIS 16 Ca 0.14 1.46 0.01 0.00 -0.15 0.00 0.00 55.06 56.52 1ci5 s HIS 16 Cb -0.20 -3.60 0.02 0.00 1.11 0.00 0.00 32.58 29.91 1ci5 s HIS 16 CO -0.04 -1.69 -0.18 0.08 -0.85 0.00 0.00 174.74 172.06 1ci5 s VAL 17 N -1.20 1.81 -1.12 -0.90 1.01 -1.26 -4.97 120.40 113.76 1ci5 s VAL 17 Ca 0.51 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.59 1ci5 s VAL 17 Cb -0.37 -1.64 -0.07 0.00 0.00 0.00 0.00 36.38 34.30 1ci5 s VAL 17 CO 0.49 0.50 2.33 -0.81 0.00 0.00 0.00 175.10 177.61 1ci5 n PRO 18 N 4.38 2.51 -3.16 2.72 -0.04 -1.26 -4.84 135.00 135.31 1ci5 n PRO 18 Ca -0.19 -1.76 -0.45 0.00 -0.04 0.00 0.00 63.50 61.06 1ci5 n PRO 18 Cb 0.51 -2.64 -0.04 0.00 -0.04 0.00 0.00 33.50 31.29 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 3.22 6.32 0.55 3.54 0.15 -1.26 -4.90 113.70 121.32 1ci5 s SER 19 Ca 0.50 -1.75 0.31 0.00 0.70 0.00 0.00 55.95 55.71 1ci5 s SER 19 Cb 0.13 -2.28 1.47 0.00 -1.71 0.00 0.00 66.02 63.63 1ci5 s SER 19 CO -0.03 -0.99 1.88 -0.55 1.20 0.00 0.00 173.24 174.75 1ci5 h ASN 20 N 8.89 0.00 -3.88 5.45 7.08 -1.97 -3.39 115.58 127.76 1ci5 h ASN 20 Ca -0.19 0.00 -0.69 0.00 -3.08 0.00 0.00 56.30 52.35 1ci5 h ASN 20 Cb 1.08 0.00 -0.21 0.00 -2.08 0.00 0.00 38.32 37.10 1ci5 h ASN 20 CO 1.04 0.00 -0.75 -1.58 -2.08 0.00 0.00 177.43 174.06 1ci5 s GLN 21 N -4.88 2.45 -0.31 4.14 0.74 -1.26 -5.06 119.66 115.48 1ci5 s GLN 21 Ca -0.05 -0.75 -0.36 0.00 0.05 0.00 0.00 55.36 54.26 1ci5 s GLN 21 Cb 0.20 -2.39 -0.12 0.00 1.10 0.00 0.00 33.01 31.80 1ci5 s GLN 21 CO 0.72 0.61 2.08 -2.30 -0.55 0.00 0.00 175.29 175.84 1ci5 n PRO 22 N 1.96 1.20 -1.83 1.67 -0.02 -1.26 -4.84 135.00 131.88 1ci5 n PRO 22 Ca -0.17 0.36 -0.42 0.00 -2.02 0.00 0.00 63.50 61.26 1ci5 n PRO 22 Cb 0.52 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 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 6.34 3.45 0.04 2.45 1.43 0.25 -4.82 118.68 127.82 1ci5 s LEU 23 Ca 1.06 1.38 0.08 0.00 -1.03 0.00 0.00 54.13 55.62 1ci5 s LEU 23 Cb -0.88 -3.33 -0.23 0.00 0.03 0.00 0.00 46.19 41.78 1ci5 s LEU 23 CO 0.52 -1.96 0.97 0.11 0.23 0.00 0.00 176.35 176.22 1ci5 h LYS 24 N 14.41 0.04 -3.55 1.70 1.57 -1.88 -3.42 116.57 125.44 1ci5 h LYS 24 Ca -0.34 -0.07 -0.56 0.00 -1.87 0.00 0.00 60.65 57.81 1ci5 h LYS 24 Cb 1.20 0.03 -0.40 0.00 0.08 0.00 0.00 32.23 33.14 1ci5 h LYS 24 CO 1.04 0.82 -0.76 -2.00 -0.57 0.00 0.00 179.45 177.97 1ci5 s GLU 25 N -2.65 0.72 0.14 3.15 2.12 -1.26 -4.00 118.70 116.92 1ci5 s GLU 25 Ca -0.03 -0.83 0.11 0.00 0.36 0.00 0.00 54.97 54.58 1ci5 s GLU 25 Cb 0.09 -2.01 -0.04 0.00 0.26 0.00 0.00 34.13 32.43 1ci5 s GLU 25 CO 0.83 -0.86 -0.24 0.54 -0.54 0.00 0.00 175.26 174.98 1ci5 s VAL 26 N 1.71 2.41 -0.17 3.70 0.11 -0.50 -3.76 120.40 123.89 1ci5 s VAL 26 Ca 0.05 -1.73 -0.05 0.00 -2.93 0.00 0.00 61.98 57.32 1ci5 s VAL 26 Cb -0.17 -2.09 0.06 0.00 -1.53 0.00 0.00 36.38 32.65 1ci5 s VAL 26 CO -0.20 0.07 0.11 -0.22 -3.33 0.00 0.00 175.10 171.53 1ci5 s LEU 27 N -2.16 0.27 -0.06 2.54 2.96 0.19 0.16 118.68 122.58 1ci5 s LEU 27 Ca 0.16 -0.55 -0.12 0.00 -0.22 0.00 0.00 54.13 53.40 1ci5 s LEU 27 Cb -0.10 -0.15 -0.05 0.00 0.50 0.00 0.00 46.19 46.40 1ci5 s LEU 27 CO 0.07 -0.35 0.29 0.26 -1.32 0.00 0.00 176.35 175.31 1ci5 s TRP 28 N 2.17 3.66 0.11 5.38 0.52 0.31 0.11 118.94 131.21 1ci5 s TRP 28 Ca 0.03 0.78 0.04 0.00 0.02 0.00 0.00 56.10 56.97 1ci5 s TRP 28 Cb -0.16 -2.15 -0.04 0.00 -1.15 0.00 0.00 33.47 29.97 1ci5 s TRP 28 CO -0.09 0.66 -0.10 0.15 0.02 0.00 0.00 176.95 177.59 1ci5 s LYS 29 N -0.98 0.90 -0.31 4.98 3.01 0.32 -1.99 119.74 125.67 1ci5 s LYS 29 Ca 0.20 -1.22 -0.02 0.00 -1.01 0.00 0.00 55.97 53.92 1ci5 s LYS 29 Cb -0.15 -0.56 0.10 0.00 -1.01 0.00 0.00 37.83 36.22 1ci5 s LYS 29 CO 0.09 0.08 0.11 0.21 0.51 0.00 0.00 175.35 176.36 1ci5 s LYS 30 N -3.01 0.55 6.67 1.68 2.20 -1.00 0.27 119.74 127.10 1ci5 s LYS 30 Ca 0.08 -0.92 0.00 0.00 -0.36 0.00 0.00 55.97 54.77 1ci5 s LYS 30 Cb -0.02 -1.70 0.00 0.00 -1.51 0.00 0.00 37.83 34.60 1ci5 s LYS 30 CO 0.00 -1.01 0.00 1.04 -0.36 0.00 0.00 175.35 175.02 1ci5 n GLN 31 N 4.93 0.00 -0.69 4.03 6.02 -1.23 -2.03 117.38 128.41 1ci5 n GLN 31 Ca -0.03 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.91 1ci5 n GLN 31 Cb 0.42 0.00 0.19 0.00 1.02 0.00 0.00 30.24 31.87 1ci5 n GLN 31 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1ci5 n LYS 32 N 13.27 2.71 -4.58 -1.09 4.01 -1.26 -4.90 118.16 126.32 1ci5 n LYS 32 Ca 0.00 -1.99 -0.27 0.00 -0.51 0.00 0.00 58.31 55.53 1ci5 n LYS 32 Cb 0.00 -1.89 -0.08 0.00 -0.51 0.00 0.00 35.03 32.55 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 -0.49 3.14 -0.06 4.39 -1.08 -0.86 -5.16 116.67 116.55 1ci5 s ASP 33 Ca 0.36 -1.65 0.03 0.00 -0.52 0.00 0.00 52.55 50.77 1ci5 s ASP 33 Cb 0.29 0.47 -0.02 0.00 -1.46 0.00 0.00 42.92 42.20 1ci5 s ASP 33 CO 0.09 -0.89 -0.14 -0.54 0.52 0.00 0.00 175.17 174.21 1ci5 s LYS 34 N -3.76 2.61 -0.08 4.34 -0.14 -1.26 -2.37 119.74 119.08 1ci5 s LYS 34 Ca 0.20 -0.69 -0.09 0.00 -1.36 0.00 0.00 55.97 54.03 1ci5 s LYS 34 Cb 0.03 -2.42 -0.03 0.00 -1.68 0.00 0.00 37.83 33.73 1ci5 s LYS 34 CO 0.12 0.58 -0.17 0.28 -0.76 0.00 0.00 175.35 175.39 1ci5 n VAL 35 N 2.44 0.86 -4.00 3.17 0.31 -0.84 -4.46 118.33 115.80 1ci5 n VAL 35 Ca -0.17 0.28 -0.10 0.00 -0.01 0.00 0.00 64.34 64.34 1ci5 n VAL 35 Cb 0.52 -1.90 -0.08 0.00 -0.91 0.00 0.00 33.84 31.48 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 -2.80 0.18 -0.25 3.52 0.00 -1.00 -1.31 121.76 120.10 1ci5 s ALA 36 Ca -0.14 -1.01 -0.11 0.00 0.00 0.00 0.00 51.96 50.70 1ci5 s ALA 36 Cb 0.02 0.87 0.10 0.00 0.00 0.00 0.00 23.12 24.10 1ci5 s ALA 36 CO 0.21 -0.62 0.57 -2.00 0.00 0.00 0.00 175.76 173.93 1ci5 s GLU 37 N -3.99 0.52 -0.14 0.00 2.12 -0.17 -0.53 118.70 116.52 1ci5 s GLU 37 Ca 0.19 1.19 -0.03 0.00 0.36 0.00 0.00 54.97 56.67 1ci5 s GLU 37 Cb 0.04 0.41 -0.03 0.00 0.26 0.00 0.00 34.13 34.81 1ci5 s GLU 37 CO 0.01 -0.19 -0.02 -1.17 -0.54 0.00 0.00 175.26 173.35 1ci5 s LEU 38 N 2.26 3.40 -0.18 2.70 2.96 0.41 -2.14 118.68 128.09 1ci5 s LEU 38 Ca -0.07 -0.03 -0.29 0.00 -0.22 0.00 0.00 54.13 53.52 1ci5 s LEU 38 Cb -0.10 -1.81 0.13 0.00 0.50 0.00 0.00 46.19 44.91 1ci5 s LEU 38 CO -0.17 0.23 1.00 -1.83 -1.32 0.00 0.00 176.35 174.26 1ci5 s GLU 39 N -0.02 0.59 -1.50 1.98 -1.05 -0.40 -1.41 118.70 116.88 1ci5 s GLU 39 Ca 0.02 0.22 -0.12 0.00 -0.15 0.00 0.00 54.97 54.94 1ci5 s GLU 39 Cb -0.13 0.28 0.07 0.00 -0.44 0.00 0.00 34.13 33.91 1ci5 s GLU 39 CO 0.02 -0.17 0.94 -1.71 0.95 0.00 0.00 175.26 175.30 1ci5 n ASN 40 N 0.96 -4.28 -1.94 0.83 2.85 -1.26 -0.11 115.26 112.31 1ci5 n ASN 40 Ca -0.11 -0.79 -0.18 0.00 -0.11 0.00 0.00 54.58 53.39 1ci5 n ASN 40 Cb 0.58 -3.89 -0.04 0.00 1.24 0.00 0.00 39.78 37.66 1ci5 n ASN 40 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1ci5 n SER 41 N -2.86 -4.95 -3.93 1.20 2.88 -1.26 -4.95 113.62 99.74 1ci5 n SER 41 Ca -0.01 0.26 -0.25 0.00 -1.33 0.00 0.00 58.87 57.54 1ci5 n SER 41 Cb 0.55 -4.30 -0.17 0.00 -0.75 0.00 0.00 64.21 59.54 1ci5 n SER 41 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1ci5 s GLU 42 N -4.23 1.48 -0.10 -1.46 -6.30 0.85 -5.13 118.70 103.81 1ci5 s GLU 42 Ca 0.00 -0.27 -0.06 0.00 -2.50 0.00 0.00 54.97 52.14 1ci5 s GLU 42 Cb 0.00 -1.45 -0.04 0.00 0.00 0.00 0.00 34.13 32.64 1ci5 s GLU 42 CO 0.00 -0.17 0.13 0.12 0.02 0.00 0.00 175.26 175.36 1ci5 s PHE 43 N 1.36 3.54 -0.26 5.30 5.36 -1.26 -1.28 117.98 130.74 1ci5 s PHE 43 Ca -0.02 0.46 -0.22 0.00 -0.96 0.00 0.00 56.93 56.20 1ci5 s PHE 43 Cb -0.14 -1.90 0.07 0.00 -0.34 0.00 0.00 43.02 40.71 1ci5 s PHE 43 CO -0.04 0.69 0.68 0.50 -1.46 0.00 0.00 175.22 175.60 1ci5 s ARG 44 N -1.18 0.77 0.58 10.12 3.52 -0.91 -5.02 118.95 126.83 1ci5 s ARG 44 Ca 0.17 1.02 0.07 0.00 -0.13 0.00 0.00 55.73 56.86 1ci5 s ARG 44 Cb -0.12 0.32 0.08 0.00 -1.56 0.00 0.00 34.95 33.68 1ci5 s ARG 44 CO 0.06 -0.11 0.80 0.00 -0.81 0.00 0.00 175.30 175.24 1ci5 s ALA 45 N 0.69 4.49 0.34 6.12 0.00 -1.26 -1.00 121.76 131.14 1ci5 s ALA 45 Ca -0.03 -1.99 0.09 0.00 0.00 0.00 0.00 51.96 50.03 1ci5 s ALA 45 Cb -0.05 -1.59 -0.05 0.00 0.00 0.00 0.00 23.12 21.43 1ci5 s ALA 45 CO -0.04 -0.89 0.07 -0.06 0.00 0.00 0.00 175.76 174.83 1ci5 s PHE 46 N -2.71 2.61 0.00 0.00 0.08 -0.43 -4.73 117.98 112.81 1ci5 s PHE 46 Ca 0.62 -0.41 0.00 0.00 0.12 0.00 0.00 56.93 57.25 1ci5 s PHE 46 Cb -0.06 -1.55 0.00 0.00 -0.57 0.00 0.00 43.02 40.84 1ci5 s PHE 46 CO 0.39 0.42 0.00 -1.13 -0.10 0.00 0.00 175.22 174.80 1ci5 n SER 47 N -1.03 0.00 -0.27 1.36 3.41 -1.26 -0.89 113.62 114.94 1ci5 n SER 47 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1ci5 n SER 47 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1ci5 n SER 47 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ci5 n SER 48 N 4.84 0.00 0.11 4.04 7.64 -1.26 -4.84 113.62 124.15 1ci5 n SER 48 Ca 0.00 -1.53 -0.02 0.00 1.01 0.00 0.00 58.87 58.33 1ci5 n SER 48 Cb 0.00 -0.11 0.20 0.00 -1.01 0.00 0.00 64.21 63.29 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 0.19 -0.86 1.43 0.04 -1.32 -2.99 116.94 113.43 1ci5 h PHE 49 Ca 0.00 -0.06 0.25 0.00 2.80 0.00 0.00 57.97 60.96 1ci5 h PHE 49 Cb 1.21 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 39.29 1ci5 h PHE 49 CO 0.05 0.63 0.66 1.57 -0.60 0.00 0.00 178.31 180.62 1ci5 h LYS 50 N 0.13 0.00 -0.37 1.51 2.10 -1.84 1.01 116.57 119.11 1ci5 h LYS 50 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ci5 h LYS 50 Cb 0.94 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 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 -4.15 1.99 -1.10 7.07 4.13 -1.13 -3.95 115.26 118.12 1ci5 n ASN 51 Ca 0.18 -1.99 -0.02 0.00 1.68 0.00 0.00 54.58 54.42 1ci5 n ASN 51 Cb 0.96 -0.25 -0.03 0.00 -1.54 0.00 0.00 39.78 38.93 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 0.59 0.00 -4.10 3.52 1.74 0.33 -5.03 116.66 113.70 1ci5 n ARG 52 Ca 0.13 -1.25 -0.10 0.00 -0.77 0.00 0.00 57.85 55.85 1ci5 n ARG 52 Cb 0.32 0.25 -0.10 0.00 -1.02 0.00 0.00 32.46 31.90 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 0.47 -0.42 1.55 -7.23 -0.03 0.29 120.40 115.03 1ci5 s VAL 53 Ca 0.11 -1.60 0.06 0.00 -1.81 0.00 0.00 61.98 58.75 1ci5 s VAL 53 Cb 0.13 -1.24 0.21 0.00 0.56 0.00 0.00 36.38 36.04 1ci5 s VAL 53 CO -0.06 -0.76 0.53 0.00 -0.31 0.00 0.00 175.10 174.51 1ci5 n TYR 54 N 0.51 -1.34 -2.33 2.82 9.36 0.40 -4.89 117.16 121.69 1ci5 n TYR 54 Ca -0.16 -2.99 -0.42 0.00 3.32 0.00 0.00 57.90 57.64 1ci5 n TYR 54 Cb 0.59 0.32 -0.03 0.00 -0.63 0.00 0.00 39.34 39.59 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 -0.47 4.34 0.89 2.98 2.96 -1.26 -1.87 118.68 126.24 1ci5 s LEU 55 Ca 0.33 2.06 -0.11 0.00 -0.22 0.00 0.00 54.13 56.19 1ci5 s LEU 55 Cb 0.12 -3.57 0.13 0.00 0.50 0.00 0.00 46.19 43.36 1ci5 s LEU 55 CO -0.15 -0.59 1.09 -0.62 -1.32 0.00 0.00 176.35 174.75 1ci5 s ASP 56 N 1.38 3.46 -0.27 3.68 2.15 0.17 -4.94 116.67 122.30 1ci5 s ASP 56 Ca 0.61 1.57 0.08 0.00 0.43 0.00 0.00 52.55 55.23 1ci5 s ASP 56 Cb -0.30 -2.24 0.45 0.00 -0.30 0.00 0.00 42.92 40.53 1ci5 s ASP 56 CO 0.27 -2.66 1.20 1.07 -0.17 0.00 0.00 175.17 174.88 1ci5 n THR 57 N -3.90 2.47 0.00 1.71 5.66 -1.26 -4.40 114.28 114.55 1ci5 n THR 57 Ca 0.07 -4.03 0.00 0.00 -3.05 0.00 0.00 64.05 57.04 1ci5 n THR 57 Cb 0.55 -0.96 0.00 0.00 -1.55 0.00 0.00 70.33 68.37 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 -0.79 0.00 0.00 1.09 4.01 -1.26 -4.90 118.16 116.31 1ci5 n LYS 58 Ca 0.39 0.00 0.14 0.00 -0.51 0.00 0.00 58.31 58.33 1ci5 n LYS 58 Cb 0.92 0.00 0.53 0.00 -0.51 0.00 0.00 35.03 35.97 1ci5 n LYS 58 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1ci5 n SER 59 N -1.79 1.34 0.00 4.39 3.41 -1.26 0.87 113.62 120.59 1ci5 n SER 59 Ca 0.00 -1.38 0.00 0.00 -0.26 0.00 0.00 58.87 57.23 1ci5 n SER 59 Cb 0.00 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 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 1.19 0.94 3.70 5.00 0.00 -1.26 -4.48 105.19 110.27 1ci5 n GLY 60 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1ci5 n GLY 60 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ci5 n SER 61 N 0.00 2.78 -4.48 1.61 3.41 -1.26 -4.66 113.62 111.02 1ci5 n SER 61 Ca 0.00 1.21 -0.33 0.00 -0.26 0.00 0.00 58.87 59.48 1ci5 n SER 61 Cb 0.00 -1.48 -0.13 0.00 -0.26 0.00 0.00 64.21 62.34 1ci5 n SER 61 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ci5 s LEU 62 N -0.98 3.06 -0.30 1.04 2.96 -0.96 0.46 118.68 123.95 1ci5 s LEU 62 Ca 0.56 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 54.34 1ci5 s LEU 62 Cb -0.57 -1.70 0.08 0.00 0.50 0.00 0.00 46.19 44.50 1ci5 s LEU 62 CO 0.62 0.22 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.95 1ci5 s THR 63 N 0.02 2.28 0.53 3.68 2.01 -0.78 0.14 115.64 123.51 1ci5 s THR 63 Ca -0.01 -1.92 -0.16 0.00 0.31 0.00 0.00 61.69 59.91 1ci5 s THR 63 Cb -0.14 -2.49 -0.07 0.00 0.01 0.00 0.00 72.50 69.81 1ci5 s THR 63 CO 0.03 -0.28 0.99 -0.63 -0.69 0.00 0.00 174.62 174.04 1ci5 s ILE 64 N 1.03 4.55 0.04 1.82 1.01 0.29 0.15 121.20 130.10 1ci5 s ILE 64 Ca -0.00 1.18 0.04 0.00 0.00 0.00 0.00 60.65 61.86 1ci5 s ILE 64 Cb -0.20 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 1ci5 s ILE 64 CO -0.06 -0.74 -0.13 -0.31 0.00 0.00 0.00 174.94 173.70 1ci5 s TYR 65 N -2.69 1.11 -0.37 3.97 2.02 0.15 -2.38 117.35 119.16 1ci5 s TYR 65 Ca 0.58 -0.38 -0.17 0.00 -0.37 0.00 0.00 57.07 56.74 1ci5 s TYR 65 Cb -0.10 -0.65 0.02 0.00 -0.40 0.00 0.00 41.96 40.83 1ci5 s TYR 65 CO 0.34 0.02 0.44 0.09 -1.57 0.00 0.00 175.55 174.87 1ci5 n ASN 66 N 1.78 -7.28 -4.91 2.29 5.03 -0.55 -4.69 115.26 106.93 1ci5 n ASN 66 Ca -0.19 0.55 -0.28 0.00 0.87 0.00 0.00 54.58 55.54 1ci5 n ASN 66 Cb 0.55 -4.16 0.01 0.00 -1.02 0.00 0.00 39.78 35.16 1ci5 n ASN 66 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1ci5 s LEU 67 N -2.22 3.44 0.00 3.41 1.43 -1.21 -4.74 118.68 118.79 1ci5 s LEU 67 Ca 0.21 0.91 0.00 0.00 -1.03 0.00 0.00 54.13 54.22 1ci5 s LEU 67 Cb -0.04 -3.83 0.00 0.00 0.03 0.00 0.00 46.19 42.34 1ci5 s LEU 67 CO 0.72 -0.78 0.00 0.35 0.23 0.00 0.00 176.35 176.87 1ci5 n THR 68 N -2.43 0.00 0.22 5.49 -2.24 -1.26 -2.03 114.28 112.03 1ci5 n THR 68 Ca 0.03 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.92 1ci5 n THR 68 Cb 0.56 0.00 0.22 0.00 -2.10 0.00 0.00 70.33 69.01 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 1.51 3.42 0.87 -1.98 -3.08 113.55 114.29 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 -0.50 0.28 -0.53 0.00 0.00 176.83 176.12 1ci5 h SER 70 N 0.00 0.00 0.69 6.23 0.02 -2.00 -3.23 113.55 115.26 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 0.97 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.51 1ci5 h SER 70 CO 0.01 0.18 -0.01 0.44 -1.14 0.00 0.00 176.83 176.30 1ci5 h ASP 71 N 0.00 0.00 -0.27 3.07 5.19 -1.93 -3.36 116.42 119.13 1ci5 h ASP 71 Ca -0.02 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 55.84 1ci5 h ASP 71 Cb 1.15 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.65 1ci5 h ASP 71 CO 0.02 0.01 1.97 1.21 -3.12 0.00 0.00 179.24 179.33 1ci5 n GLU 72 N -3.12 1.91 -4.03 3.56 0.00 -1.22 -4.72 120.64 113.02 1ci5 n GLU 72 Ca -0.01 -2.33 -0.10 0.00 0.00 0.00 0.00 57.16 54.73 1ci5 n GLU 72 Cb 0.23 -3.31 -0.08 0.00 0.00 0.00 0.00 31.44 28.28 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 5.19 0.15 -0.46 4.31 1.01 -0.97 -4.89 116.67 121.00 1ci5 s ASP 73 Ca 0.59 -0.99 -0.27 0.00 0.71 0.00 0.00 52.55 52.59 1ci5 s ASP 73 Cb 0.08 0.38 0.03 0.00 1.01 0.00 0.00 42.92 44.41 1ci5 s ASP 73 CO 0.10 -0.82 1.03 -0.70 0.21 0.00 0.00 175.17 174.98 1ci5 s GLU 74 N -3.99 3.64 0.26 8.23 2.12 -1.26 -1.79 118.70 125.91 1ci5 s GLU 74 Ca 0.19 0.38 -0.10 0.00 0.36 0.00 0.00 54.97 55.80 1ci5 s GLU 74 Cb 0.05 -3.91 -0.07 0.00 0.26 0.00 0.00 34.13 30.46 1ci5 s GLU 74 CO 0.00 -1.29 0.60 0.71 -0.54 0.00 0.00 175.26 174.75 1ci5 s TYR 75 N 4.08 3.42 -0.06 5.30 1.51 -0.68 -3.55 117.35 127.37 1ci5 s TYR 75 Ca 0.42 0.94 0.01 0.00 -1.01 0.00 0.00 57.07 57.42 1ci5 s TYR 75 Cb -0.09 -2.32 0.02 0.00 -0.11 0.00 0.00 41.96 39.47 1ci5 s TYR 75 CO 0.29 0.20 -0.05 -1.21 -1.11 0.00 0.00 175.55 173.67 1ci5 s GLU 76 N -2.98 0.98 0.15 -0.62 8.01 0.14 -0.19 118.70 124.19 1ci5 s GLU 76 Ca 0.49 -0.12 0.04 0.00 0.01 0.00 0.00 54.97 55.39 1ci5 s GLU 76 Cb -0.11 -1.03 -0.04 0.00 -4.31 0.00 0.00 34.13 28.65 1ci5 s GLU 76 CO 0.22 -0.13 0.14 0.00 0.01 0.00 0.00 175.26 175.50 1ci5 s MET 77 N 1.19 2.96 -0.01 1.61 0.23 0.23 0.12 119.30 125.63 1ci5 s MET 77 Ca -0.06 -0.81 0.01 0.00 -1.03 0.00 0.00 55.69 53.80 1ci5 s MET 77 Cb -0.14 -2.70 0.00 0.00 -1.53 0.00 0.00 34.83 30.47 1ci5 s MET 77 CO -0.01 0.50 -0.02 -1.21 -2.03 0.00 0.00 175.02 172.25 1ci5 s GLU 78 N -2.99 0.18 -0.16 3.16 2.02 0.31 -1.87 118.70 119.35 1ci5 s GLU 78 Ca 0.31 -0.05 -0.15 0.00 0.02 0.00 0.00 54.97 55.10 1ci5 s GLU 78 Cb -0.11 -0.21 0.04 0.00 0.10 0.00 0.00 34.13 33.96 1ci5 s GLU 78 CO 0.24 0.02 0.44 0.45 0.02 0.00 0.00 175.26 176.42 1ci5 s SER 79 N 0.12 -0.46 0.21 -0.19 0.15 -1.26 0.55 113.70 112.81 1ci5 s SER 79 Ca -0.01 0.88 -0.09 0.00 0.70 0.00 0.00 55.95 57.43 1ci5 s SER 79 Cb -0.03 0.89 0.25 0.00 -1.71 0.00 0.00 66.02 65.42 1ci5 s SER 79 CO -0.00 -0.15 1.81 -0.65 1.20 0.00 0.00 173.24 175.44 1ci5 h PRO 80 N 5.54 0.69 -0.09 5.44 0.11 -1.93 -1.42 132.00 140.32 1ci5 h PRO 80 Ca -0.28 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.68 1ci5 h PRO 80 Cb 1.18 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1ci5 h PRO 80 CO 0.23 0.45 -0.46 -0.91 -0.21 0.00 0.00 178.00 177.11 1ci5 h ASN 81 N 0.71 0.24 -4.13 -2.05 2.35 -1.97 -3.45 115.58 107.29 1ci5 h ASN 81 Ca 0.30 -0.11 -0.54 0.00 -0.55 0.00 0.00 56.30 55.40 1ci5 h ASN 81 Cb 0.18 -0.07 0.18 0.00 0.05 0.00 0.00 38.32 38.67 1ci5 h ASN 81 CO -0.18 0.67 0.31 -0.38 -1.65 0.00 0.00 177.43 176.20 1ci5 n ILE 82 N -3.99 2.33 -0.27 2.81 2.08 -0.54 -4.91 119.36 116.88 1ci5 n ILE 82 Ca -0.02 -0.25 -0.03 0.00 0.56 0.00 0.00 62.75 63.02 1ci5 n ILE 82 Cb 0.51 -1.20 0.09 0.00 -0.75 0.00 0.00 39.64 38.28 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 -0.73 1.13 0.00 1.39 2.02 -1.86 -3.46 112.91 111.39 1ci5 h THR 83 Ca -0.47 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.38 1ci5 h THR 83 Cb 1.31 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1ci5 h THR 83 CO 0.46 0.17 0.00 -0.67 0.37 0.00 0.00 175.52 175.86 1ci5 n ASP 84 N -4.61 0.00 -3.64 4.18 -0.08 -1.26 -5.13 116.55 106.01 1ci5 n ASP 84 Ca 0.08 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.30 1ci5 n ASP 84 Cb 0.07 0.24 -0.07 0.00 2.34 0.00 0.00 41.12 43.71 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 0.30 -0.29 0.27 1.67 1.04 -1.26 -4.29 113.70 111.14 1ci5 s SER 85 Ca 0.00 0.56 0.09 0.00 0.48 0.00 0.00 55.95 57.07 1ci5 s SER 85 Cb 0.00 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 1ci5 s SER 85 CO 0.00 -0.10 0.09 -0.04 0.98 0.00 0.00 173.24 174.17 1ci5 s MET 86 N 0.17 2.52 -0.40 4.02 -1.94 -0.78 -4.95 119.30 117.94 1ci5 s MET 86 Ca 0.05 -1.32 0.01 0.00 -1.71 0.00 0.00 55.69 52.72 1ci5 s MET 86 Cb -0.05 -2.30 0.13 0.00 2.01 0.00 0.00 34.83 34.61 1ci5 s MET 86 CO -0.10 0.33 0.19 0.15 -0.01 0.00 0.00 175.02 175.58 1ci5 s LYS 87 N -3.76 1.12 -0.44 2.03 3.01 -1.26 -0.60 119.74 119.84 1ci5 s LYS 87 Ca 0.33 -1.74 -0.23 0.00 -1.01 0.00 0.00 55.97 53.32 1ci5 s LYS 87 Cb -0.06 -2.24 0.02 0.00 -1.01 0.00 0.00 37.83 34.54 1ci5 s LYS 87 CO 0.22 -1.11 0.79 -0.06 0.51 0.00 0.00 175.35 175.70 1ci5 s PHE 88 N 0.73 3.01 0.18 3.18 0.40 0.74 -3.22 117.98 123.00 1ci5 s PHE 88 Ca 0.15 0.22 -0.30 0.00 -0.60 0.00 0.00 56.93 56.40 1ci5 s PHE 88 Cb -0.22 -3.64 -0.08 0.00 0.51 0.00 0.00 43.02 39.59 1ci5 s PHE 88 CO -0.06 -0.96 1.08 0.12 0.70 0.00 0.00 175.22 176.10 1ci5 s PHE 89 N 3.28 3.63 -0.11 0.36 2.19 0.22 -1.69 117.98 125.85 1ci5 s PHE 89 Ca 0.30 1.64 0.01 0.00 0.33 0.00 0.00 56.93 59.21 1ci5 s PHE 89 Cb -0.12 -3.24 -0.01 0.00 -1.31 0.00 0.00 43.02 38.33 1ci5 s PHE 89 CO 0.22 -0.49 -0.15 -1.17 1.83 0.00 0.00 175.22 175.46 1ci5 s LEU 90 N -0.45 2.60 -0.16 6.12 2.96 -0.74 0.14 118.68 129.15 1ci5 s LEU 90 Ca 0.48 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 54.06 1ci5 s LEU 90 Cb -0.29 -1.56 0.01 0.00 0.50 0.00 0.00 46.19 44.85 1ci5 s LEU 90 CO 0.35 0.20 -0.20 -0.31 -1.32 0.00 0.00 176.35 175.07 1ci5 s TYR 91 N 0.13 2.74 -0.18 5.38 1.51 -0.81 -2.29 117.35 123.84 1ci5 s TYR 91 Ca -0.08 -1.46 -0.15 0.00 -1.01 0.00 0.00 57.07 54.37 1ci5 s TYR 91 Cb -0.15 -1.88 -0.04 0.00 -0.11 0.00 0.00 41.96 39.77 1ci5 s TYR 91 CO 0.05 -0.70 0.37 0.08 -1.11 0.00 0.00 175.55 174.25 1ci5 s VAL 92 N 1.08 5.23 0.44 0.71 1.01 -1.26 0.58 120.40 128.19 1ci5 s VAL 92 Ca -0.00 0.69 0.03 0.00 0.00 0.00 0.00 61.98 62.70 1ci5 s VAL 92 Cb -0.14 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1ci5 s VAL 92 CO -0.07 0.31 0.05 -0.83 0.00 0.00 0.00 175.10 174.55 1ci5 s GLY 93 N 0.80 2.67 -0.08 4.51 0.00 0.25 -4.91 107.32 110.56 1ci5 s GLY 93 Ca 0.19 -1.21 -0.04 0.00 0.00 0.00 0.00 44.72 43.65 1ci5 s GLY 93 CO 0.07 -2.02 0.54 0.83 0.00 0.00 0.00 173.10 172.52 1ci5 h GLU 94 N 1.67 0.25 0.00 2.90 5.08 -1.95 0.42 114.58 122.95 1ci5 h GLU 94 Ca -0.41 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.52 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 0.70 1.12 0.00 0.45 -1.00 0.00 0.00 179.01 180.28