#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ci5 h SER 2 N 0.00 -0.56 -3.76 4.04 0.87 -1.99 -3.46 113.55 108.69 1ci5 h SER 2 Ca 0.00 0.02 -0.19 0.00 -1.23 0.00 0.00 61.79 60.39 1ci5 h SER 2 Cb 0.00 0.15 -0.27 0.00 -0.44 0.00 0.00 62.40 61.84 1ci5 h SER 2 CO 0.00 -0.36 -0.53 -1.58 -0.53 0.00 0.00 176.83 173.82 1ci5 s GLN 3 N -4.22 0.18 -0.09 2.24 2.00 -1.02 -5.05 119.66 113.71 1ci5 s GLN 3 Ca -0.10 0.24 -0.01 0.00 -2.00 0.00 0.00 55.36 53.49 1ci5 s GLN 3 Cb 0.01 0.07 -0.03 0.00 0.80 0.00 0.00 33.01 33.86 1ci5 s GLN 3 CO 0.29 -0.04 -0.02 1.14 -0.50 0.00 0.00 175.29 176.16 1ci5 s GLN 4 N 0.19 2.99 0.03 1.67 -2.07 -1.26 0.10 119.66 121.31 1ci5 s GLN 4 Ca -0.01 -0.46 0.08 0.00 -1.82 0.00 0.00 55.36 53.16 1ci5 s GLN 4 Cb -0.02 -2.75 -0.03 0.00 -1.09 0.00 0.00 33.01 29.12 1ci5 s GLN 4 CO -0.00 0.64 -0.24 0.42 -1.32 0.00 0.00 175.29 174.79 1ci5 s ILE 5 N -0.73 2.32 -0.22 3.63 -1.09 0.29 -4.90 121.20 120.50 1ci5 s ILE 5 Ca 0.11 -1.29 -0.11 0.00 -2.23 0.00 0.00 60.65 57.13 1ci5 s ILE 5 Cb -0.11 -1.91 -0.05 0.00 -1.58 0.00 0.00 42.46 38.80 1ci5 s ILE 5 CO 0.02 0.39 0.19 -0.31 -1.23 0.00 0.00 174.94 174.00 1ci5 s TYR 6 N -0.81 3.35 0.38 3.97 1.51 -1.26 -1.04 117.35 123.44 1ci5 s TYR 6 Ca 0.12 0.31 0.04 0.00 -1.01 0.00 0.00 57.07 56.53 1ci5 s TYR 6 Cb -0.10 -2.29 -0.03 0.00 -0.11 0.00 0.00 41.96 39.43 1ci5 s TYR 6 CO 0.02 0.10 0.12 0.20 -1.11 0.00 0.00 175.55 174.88 1ci5 s GLY 7 N 0.91 2.43 -0.16 0.71 0.00 0.31 -4.91 107.32 106.61 1ci5 s GLY 7 Ca 0.10 -1.46 -0.12 0.00 0.00 0.00 0.00 44.72 43.23 1ci5 s GLY 7 CO 0.04 -1.80 0.41 -1.34 0.00 0.00 0.00 173.10 170.41 1ci5 s VAL 8 N -3.28 -0.01 0.21 1.40 -7.23 -1.26 -1.12 120.40 109.11 1ci5 s VAL 8 Ca 0.28 0.03 -0.30 0.00 -1.81 0.00 0.00 61.98 60.18 1ci5 s VAL 8 Cb 0.04 -0.59 -0.16 0.00 0.56 0.00 0.00 36.38 36.24 1ci5 s VAL 8 CO 0.15 0.01 0.88 0.29 -0.31 0.00 0.00 175.10 176.12 1ci5 n LYS 9 N 3.37 0.74 -1.34 4.82 4.76 0.10 0.50 118.16 131.12 1ci5 n LYS 9 Ca -0.17 0.26 -0.12 0.00 -2.87 0.00 0.00 58.31 55.41 1ci5 n LYS 9 Cb 0.56 -1.54 -0.05 0.00 -1.84 0.00 0.00 35.03 32.17 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 0.52 0.00 -4.21 2.13 4.01 -1.25 -4.95 117.16 113.41 1ci5 n TYR 10 Ca 0.14 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.73 1ci5 n TYR 10 Cb 0.26 -2.45 -0.03 0.00 -0.31 0.00 0.00 39.34 36.81 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 -0.70 3.62 3.47 2.72 0.00 0.18 -4.96 105.19 109.52 1ci5 n GLY 11 Ca -0.12 -2.28 -0.24 0.00 0.00 0.00 0.00 46.02 43.39 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 -2.47 3.45 -0.09 1.61 2.20 -1.26 -4.17 114.94 114.21 1ci5 s ASN 12 Ca 0.04 -1.07 -0.31 0.00 -0.94 0.00 0.00 52.86 50.58 1ci5 s ASN 12 Cb -0.00 -0.28 0.09 0.00 -2.00 0.00 0.00 41.25 39.06 1ci5 s ASN 12 CO 0.03 -0.05 0.80 0.68 -2.94 0.00 0.00 177.10 175.61 1ci5 s VAL 13 N -2.61 0.00 0.12 3.54 -7.23 -0.96 -4.72 120.40 108.53 1ci5 s VAL 13 Ca 0.30 0.00 0.09 0.00 -1.81 0.00 0.00 61.98 60.55 1ci5 s VAL 13 Cb -0.03 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.88 1ci5 s VAL 13 CO 0.14 0.00 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.82 1ci5 s THR 14 N -1.20 1.86 -0.58 5.32 2.01 -1.26 -1.03 115.64 120.76 1ci5 s THR 14 Ca -0.07 -1.66 0.02 0.00 0.31 0.00 0.00 61.69 60.29 1ci5 s THR 14 Cb -0.00 -1.71 0.15 0.00 0.01 0.00 0.00 72.50 70.95 1ci5 s THR 14 CO 0.07 -0.07 0.35 -0.36 -0.69 0.00 0.00 174.62 173.92 1ci5 s PHE 15 N -1.28 3.31 0.47 4.92 0.08 0.47 -4.96 117.98 120.99 1ci5 s PHE 15 Ca 0.10 -3.09 -0.24 0.00 0.12 0.00 0.00 56.93 53.82 1ci5 s PHE 15 Cb -0.09 -2.91 -0.07 0.00 -0.57 0.00 0.00 43.02 39.37 1ci5 s PHE 15 CO 0.05 -0.74 1.36 -1.01 -0.10 0.00 0.00 175.22 174.79 1ci5 s HIS 16 N -0.43 2.50 -0.22 0.36 3.76 -1.26 -2.37 115.29 117.62 1ci5 s HIS 16 Ca 0.18 1.35 -0.00 0.00 -0.15 0.00 0.00 55.06 56.44 1ci5 s HIS 16 Cb -0.21 -3.80 0.06 0.00 1.11 0.00 0.00 32.58 29.74 1ci5 s HIS 16 CO -0.03 -2.67 -0.04 0.08 -0.85 0.00 0.00 174.74 171.24 1ci5 s VAL 17 N -1.27 1.27 -0.97 -0.90 1.01 -1.26 -4.95 120.40 113.33 1ci5 s VAL 17 Ca 0.64 -1.00 -0.26 0.00 0.00 0.00 0.00 61.98 61.36 1ci5 s VAL 17 Cb -0.40 -1.57 -0.20 0.00 0.00 0.00 0.00 36.38 34.20 1ci5 s VAL 17 CO 0.51 -0.09 2.19 -2.65 0.00 0.00 0.00 175.10 175.06 1ci5 n PRO 18 N 4.78 0.24 -3.23 2.72 -0.02 -1.26 -4.73 135.00 133.50 1ci5 n PRO 18 Ca -0.11 -1.38 -0.14 0.00 -2.02 0.00 0.00 63.50 59.84 1ci5 n PRO 18 Cb 0.45 -3.78 -0.06 0.00 -0.02 0.00 0.00 33.50 30.09 1ci5 n PRO 18 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ci5 s SER 19 N 9.05 0.35 0.36 2.55 0.15 -1.26 -5.00 113.70 119.91 1ci5 s SER 19 Ca 0.84 -1.82 0.07 0.00 0.70 0.00 0.00 55.95 55.75 1ci5 s SER 19 Cb -0.08 0.81 0.77 0.00 -1.71 0.00 0.00 66.02 65.81 1ci5 s SER 19 CO 0.15 -0.19 1.93 -0.55 1.20 0.00 0.00 173.24 175.79 1ci5 h ASN 20 N 6.35 0.65 -4.09 5.45 -1.07 -1.93 -3.40 115.58 117.54 1ci5 h ASN 20 Ca 0.10 0.01 -0.53 0.00 0.07 0.00 0.00 56.30 55.95 1ci5 h ASN 20 Cb 1.05 -0.12 0.11 0.00 -2.07 0.00 0.00 38.32 37.29 1ci5 h ASN 20 CO 0.18 0.40 0.48 -1.10 0.07 0.00 0.00 177.43 177.46 1ci5 s GLN 21 N -5.66 3.01 0.03 4.14 -0.21 -1.26 -4.92 119.66 114.78 1ci5 s GLN 21 Ca -0.10 1.86 -0.30 0.00 0.02 0.00 0.00 55.36 56.84 1ci5 s GLN 21 Cb 0.20 -1.97 -0.07 0.00 1.00 0.00 0.00 33.01 32.18 1ci5 s GLN 21 CO 0.78 -1.19 1.51 -1.25 -2.12 0.00 0.00 175.29 173.01 1ci5 s PRO 22 N -3.27 4.25 -0.49 2.91 0.04 -1.26 -4.69 135.00 132.48 1ci5 s PRO 22 Ca 0.77 2.12 -0.16 0.00 0.04 0.00 0.00 61.00 63.76 1ci5 s PRO 22 Cb -0.31 -3.58 0.08 0.00 0.04 0.00 0.00 34.50 30.73 1ci5 s PRO 22 CO 0.34 -0.64 0.45 -0.51 0.04 0.00 0.00 177.00 176.68 1ci5 s LEU 23 N 2.49 5.64 0.07 -3.56 1.43 -1.03 -4.90 118.68 118.83 1ci5 s LEU 23 Ca 0.68 -1.36 0.11 0.00 -1.03 0.00 0.00 54.13 52.53 1ci5 s LEU 23 Cb -0.35 -2.22 -0.18 0.00 0.03 0.00 0.00 46.19 43.47 1ci5 s LEU 23 CO 0.29 -0.73 1.03 0.11 0.23 0.00 0.00 176.35 177.28 1ci5 h LYS 24 N 8.82 0.00 -4.51 1.70 1.57 -1.93 -3.44 116.57 118.77 1ci5 h LYS 24 Ca -0.29 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 57.87 1ci5 h LYS 24 Cb 1.11 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 33.04 1ci5 h LYS 24 CO 0.92 0.70 -0.80 -1.21 -0.57 0.00 0.00 179.45 178.49 1ci5 s GLU 25 N -2.72 1.87 -0.04 3.15 2.02 -1.26 -2.49 118.70 119.24 1ci5 s GLU 25 Ca -0.01 -0.97 -0.01 0.00 0.02 0.00 0.00 54.97 54.00 1ci5 s GLU 25 Cb 0.09 -2.55 0.03 0.00 0.10 0.00 0.00 34.13 31.79 1ci5 s GLU 25 CO 0.81 -0.52 0.02 0.54 0.02 0.00 0.00 175.26 176.13 1ci5 s VAL 26 N 1.36 0.11 -0.26 2.63 0.11 -0.90 -3.95 120.40 119.50 1ci5 s VAL 26 Ca -0.04 0.19 -0.01 0.00 -2.93 0.00 0.00 61.98 59.19 1ci5 s VAL 26 Cb -0.18 -0.27 0.03 0.00 -1.53 0.00 0.00 36.38 34.44 1ci5 s VAL 26 CO -0.07 0.17 -0.05 -0.22 -3.33 0.00 0.00 175.10 171.60 1ci5 s LEU 27 N 1.49 3.42 -0.20 2.54 2.96 0.60 0.90 118.68 130.38 1ci5 s LEU 27 Ca -0.03 -1.02 -0.15 0.00 -0.22 0.00 0.00 54.13 52.70 1ci5 s LEU 27 Cb -0.13 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 1ci5 s LEU 27 CO -0.03 -0.17 0.38 0.26 -1.32 0.00 0.00 176.35 175.47 1ci5 s TRP 28 N 1.29 3.37 0.19 5.38 0.52 0.48 0.11 118.94 130.28 1ci5 s TRP 28 Ca -0.02 0.59 0.10 0.00 0.02 0.00 0.00 56.10 56.79 1ci5 s TRP 28 Cb -0.18 -2.50 -0.04 0.00 -1.15 0.00 0.00 33.47 29.60 1ci5 s TRP 28 CO -0.03 0.01 -0.17 0.15 0.02 0.00 0.00 176.95 176.92 1ci5 s LYS 29 N 1.25 1.76 -0.25 4.98 3.01 0.36 0.43 119.74 131.28 1ci5 s LYS 29 Ca 0.18 -1.42 -0.04 0.00 -1.01 0.00 0.00 55.97 53.68 1ci5 s LYS 29 Cb -0.15 -1.98 0.09 0.00 -1.01 0.00 0.00 37.83 34.78 1ci5 s LYS 29 CO 0.08 0.41 0.10 0.21 0.51 0.00 0.00 175.35 176.66 1ci5 s LYS 30 N -2.78 0.30 6.45 1.68 2.20 0.21 -0.33 119.74 127.48 1ci5 s LYS 30 Ca 0.23 -0.50 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 1ci5 s LYS 30 Cb -0.08 -1.55 0.00 0.00 -1.51 0.00 0.00 37.83 34.69 1ci5 s LYS 30 CO 0.12 -0.89 0.00 0.94 -0.36 0.00 0.00 175.35 175.16 1ci5 n GLN 31 N 5.17 0.00 -0.73 4.03 7.27 -1.19 -2.19 117.38 129.74 1ci5 n GLN 31 Ca -0.06 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 56.96 1ci5 n GLN 31 Cb 0.44 0.00 0.21 0.00 2.41 0.00 0.00 30.24 33.30 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 13.19 2.83 -4.18 3.69 4.01 -1.26 -4.90 118.16 131.54 1ci5 n LYS 32 Ca 0.00 -2.13 -0.11 0.00 -0.51 0.00 0.00 58.31 55.56 1ci5 n LYS 32 Cb 0.00 -1.93 -0.10 0.00 -0.51 0.00 0.00 35.03 32.49 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 -0.56 1.21 0.14 4.39 2.15 -0.93 -5.15 116.67 117.92 1ci5 s ASP 33 Ca 0.38 -1.02 -0.11 0.00 0.43 0.00 0.00 52.55 52.23 1ci5 s ASP 33 Cb 0.31 0.09 -0.06 0.00 -0.30 0.00 0.00 42.92 42.95 1ci5 s ASP 33 CO 0.09 -0.46 0.48 -0.54 -0.17 0.00 0.00 175.17 174.57 1ci5 s LYS 34 N -3.83 3.84 -0.02 4.34 1.02 -1.26 -0.62 119.74 123.21 1ci5 s LYS 34 Ca 0.13 0.30 -0.03 0.00 0.02 0.00 0.00 55.97 56.39 1ci5 s LYS 34 Cb 0.05 -2.90 -0.01 0.00 -0.52 0.00 0.00 37.83 34.45 1ci5 s LYS 34 CO -0.03 0.48 -0.06 0.28 -0.92 0.00 0.00 175.35 175.10 1ci5 n VAL 35 N 0.62 0.31 -4.21 3.17 0.31 0.17 -4.62 118.33 114.08 1ci5 n VAL 35 Ca -0.05 0.33 -0.12 0.00 -0.01 0.00 0.00 64.34 64.49 1ci5 n VAL 35 Cb 0.52 -1.54 -0.10 0.00 -0.91 0.00 0.00 33.84 31.81 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 -2.72 1.22 -0.22 3.52 0.00 -0.49 0.13 121.76 123.21 1ci5 s ALA 36 Ca -0.05 -1.70 -0.11 0.00 0.00 0.00 0.00 51.96 50.10 1ci5 s ALA 36 Cb 0.01 1.27 0.08 0.00 0.00 0.00 0.00 23.12 24.47 1ci5 s ALA 36 CO 0.07 -0.56 0.53 -2.00 0.00 0.00 0.00 175.76 173.80 1ci5 s GLU 37 N -4.13 0.51 0.06 0.00 2.56 0.08 -0.39 118.70 117.39 1ci5 s GLU 37 Ca 0.37 1.02 0.06 0.00 0.00 0.00 0.00 54.97 56.42 1ci5 s GLU 37 Cb 0.07 0.14 -0.04 0.00 2.00 0.00 0.00 34.13 36.31 1ci5 s GLU 37 CO 0.11 -0.17 -0.11 -1.17 -0.56 0.00 0.00 175.26 173.36 1ci5 s LEU 38 N 1.75 2.98 -0.30 2.70 2.96 0.26 -2.02 118.68 127.01 1ci5 s LEU 38 Ca -0.08 -0.32 -0.24 0.00 -0.22 0.00 0.00 54.13 53.26 1ci5 s LEU 38 Cb -0.08 -1.76 0.19 0.00 0.50 0.00 0.00 46.19 45.04 1ci5 s LEU 38 CO -0.16 0.23 1.39 -0.70 -1.32 0.00 0.00 176.35 175.79 1ci5 s GLU 39 N -1.77 0.10 -1.46 1.98 2.12 -0.66 -2.11 118.70 116.89 1ci5 s GLU 39 Ca 0.18 0.12 -0.08 0.00 0.36 0.00 0.00 54.97 55.56 1ci5 s GLU 39 Cb -0.11 0.05 0.05 0.00 0.26 0.00 0.00 34.13 34.38 1ci5 s GLU 39 CO 0.10 -0.01 0.78 0.09 -0.54 0.00 0.00 175.26 175.67 1ci5 n ASN 40 N 1.75 -2.74 -1.99 -1.70 3.02 -1.24 0.08 115.26 112.44 1ci5 n ASN 40 Ca -0.11 -0.86 -0.18 0.00 -0.03 0.00 0.00 54.58 53.40 1ci5 n ASN 40 Cb 0.57 -3.67 -0.04 0.00 -0.61 0.00 0.00 39.78 36.02 1ci5 n ASN 40 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1ci5 n SER 41 N -2.91 -5.08 -3.99 6.41 2.88 -1.26 -4.94 113.62 104.73 1ci5 n SER 41 Ca -0.12 0.24 -0.31 0.00 -1.33 0.00 0.00 58.87 57.35 1ci5 n SER 41 Cb 0.60 -4.38 -0.15 0.00 -0.75 0.00 0.00 64.21 59.52 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 -4.33 1.84 -0.04 -1.46 -6.30 0.11 -5.12 118.70 103.41 1ci5 s GLU 42 Ca 0.00 -1.18 -0.07 0.00 -2.50 0.00 0.00 54.97 51.22 1ci5 s GLU 42 Cb 0.00 -2.73 -0.04 0.00 0.00 0.00 0.00 34.13 31.36 1ci5 s GLU 42 CO 0.00 -0.61 0.23 0.12 0.02 0.00 0.00 175.26 175.02 1ci5 s PHE 43 N 1.26 3.60 -0.27 5.30 5.36 -1.26 -1.66 117.98 130.30 1ci5 s PHE 43 Ca -0.06 0.57 -0.24 0.00 -0.96 0.00 0.00 56.93 56.24 1ci5 s PHE 43 Cb -0.19 -1.98 0.08 0.00 -0.34 0.00 0.00 43.02 40.59 1ci5 s PHE 43 CO -0.06 0.66 0.79 0.50 -1.46 0.00 0.00 175.22 175.65 1ci5 s ARG 44 N -1.49 0.75 0.54 10.12 3.52 -0.85 -5.02 118.95 126.52 1ci5 s ARG 44 Ca 0.23 0.93 -0.01 0.00 -0.13 0.00 0.00 55.73 56.75 1ci5 s ARG 44 Cb -0.13 0.34 0.02 0.00 -1.56 0.00 0.00 34.95 33.62 1ci5 s ARG 44 CO 0.12 -0.10 0.79 0.00 -0.81 0.00 0.00 175.30 175.31 1ci5 s ALA 45 N 0.49 3.65 0.33 6.12 0.00 -1.26 -0.74 121.76 130.35 1ci5 s ALA 45 Ca -0.00 -1.08 0.08 0.00 0.00 0.00 0.00 51.96 50.95 1ci5 s ALA 45 Cb -0.05 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.78 1ci5 s ALA 45 CO -0.03 -0.71 0.22 -0.06 0.00 0.00 0.00 175.76 175.19 1ci5 s PHE 46 N -2.79 2.85 0.00 0.00 0.08 0.34 -4.65 117.98 113.80 1ci5 s PHE 46 Ca 0.54 -0.31 0.00 0.00 0.12 0.00 0.00 56.93 57.28 1ci5 s PHE 46 Cb -0.10 -1.69 0.00 0.00 -0.57 0.00 0.00 43.02 40.65 1ci5 s PHE 46 CO 0.40 0.28 0.00 0.45 -0.10 0.00 0.00 175.22 176.25 1ci5 n SER 47 N -1.27 0.00 -1.53 1.36 2.88 -1.26 -1.27 113.62 112.53 1ci5 n SER 47 Ca -0.03 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.52 1ci5 n SER 47 Cb 0.60 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 64.31 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 -1.11 4.12 0.08 -3.46 3.41 -1.26 -4.18 113.62 111.22 1ci5 n SER 48 Ca 0.00 -2.72 -0.14 0.00 -0.26 0.00 0.00 58.87 55.75 1ci5 n SER 48 Cb 0.00 -0.65 -0.07 0.00 -0.26 0.00 0.00 64.21 63.24 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 2.36 0.56 -3.33 7.33 0.04 -1.51 -3.46 116.94 118.94 1ci5 h PHE 49 Ca 0.08 -0.33 -0.56 0.00 2.80 0.00 0.00 57.97 59.96 1ci5 h PHE 49 Cb 1.66 -0.05 0.19 0.00 2.20 0.00 0.00 35.95 39.94 1ci5 h PHE 49 CO 0.82 1.18 -0.31 1.17 -0.60 0.00 0.00 178.31 180.56 1ci5 n LYS 50 N -3.69 0.30 -0.89 1.51 0.00 -1.25 -1.93 118.16 112.22 1ci5 n LYS 50 Ca -0.07 0.15 0.00 0.00 0.00 0.00 0.00 58.31 58.39 1ci5 n LYS 50 Cb 0.88 -1.90 0.00 0.00 0.00 0.00 0.00 35.03 34.01 1ci5 n LYS 50 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1ci5 n ASN 51 N -0.61 -0.78 -0.39 3.14 5.15 -1.26 -4.70 115.26 115.81 1ci5 n ASN 51 Ca 0.10 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.08 1ci5 n ASN 51 Cb 0.50 -0.83 0.00 0.00 -0.53 0.00 0.00 39.78 38.92 1ci5 n ASN 51 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1ci5 n ARG 52 N -1.98 0.00 -4.18 1.20 1.74 -0.81 -5.04 116.66 107.60 1ci5 n ARG 52 Ca 0.00 -0.69 -0.17 0.00 -0.77 0.00 0.00 57.85 56.21 1ci5 n ARG 52 Cb 0.03 -0.39 -0.12 0.00 -1.02 0.00 0.00 32.46 30.96 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 1.09 -0.32 1.55 -7.23 -1.21 -1.84 120.40 112.44 1ci5 s VAL 53 Ca 0.00 -1.42 -0.02 0.00 -1.81 0.00 0.00 61.98 58.73 1ci5 s VAL 53 Cb 0.00 -1.17 0.12 0.00 0.56 0.00 0.00 36.38 35.89 1ci5 s VAL 53 CO 0.00 -0.32 0.17 -0.47 -0.31 0.00 0.00 175.10 174.17 1ci5 s TYR 54 N -1.61 0.56 -0.10 2.82 5.04 0.13 -4.99 117.35 119.21 1ci5 s TYR 54 Ca 0.01 -1.26 -0.18 0.00 -2.44 0.00 0.00 57.07 53.19 1ci5 s TYR 54 Cb -0.08 -0.94 -0.04 0.00 0.35 0.00 0.00 41.96 41.24 1ci5 s TYR 54 CO 0.02 -0.83 0.47 -1.17 -1.34 0.00 0.00 175.55 172.70 1ci5 s LEU 55 N 1.59 4.31 0.29 6.97 2.96 -1.26 0.54 118.68 134.08 1ci5 s LEU 55 Ca 0.13 0.85 -0.29 0.00 -0.22 0.00 0.00 54.13 54.60 1ci5 s LEU 55 Cb -0.19 -2.69 -0.09 0.00 0.50 0.00 0.00 46.19 43.71 1ci5 s LEU 55 CO -0.19 0.05 1.07 -0.62 -1.32 0.00 0.00 176.35 175.34 1ci5 s ASP 56 N 0.37 7.25 -0.58 3.68 -1.08 0.30 -4.95 116.67 121.66 1ci5 s ASP 56 Ca 0.26 2.20 -0.02 0.00 -0.52 0.00 0.00 52.55 54.47 1ci5 s ASP 56 Cb -0.15 -2.62 0.38 0.00 -1.46 0.00 0.00 42.92 39.06 1ci5 s ASP 56 CO 0.11 -0.15 2.05 0.35 0.52 0.00 0.00 175.17 178.05 1ci5 n THR 57 N 1.06 3.41 0.00 1.71 -2.24 -1.26 -3.48 114.28 113.48 1ci5 n THR 57 Ca -0.00 -2.67 0.00 0.00 -2.27 0.00 0.00 64.05 59.11 1ci5 n THR 57 Cb 0.46 -1.22 0.00 0.00 -2.10 0.00 0.00 70.33 67.47 1ci5 n THR 57 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ci5 n LYS 58 N -0.54 0.00 -0.19 -0.78 0.00 -1.26 -4.83 118.16 110.55 1ci5 n LYS 58 Ca 0.54 0.00 0.11 0.00 0.00 0.00 0.00 58.31 58.96 1ci5 n LYS 58 Cb 0.62 0.00 0.21 0.00 0.00 0.00 0.00 35.03 35.86 1ci5 n LYS 58 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1ci5 n SER 59 N -2.25 3.42 0.00 3.14 7.64 -1.26 -2.45 113.62 121.86 1ci5 n SER 59 Ca 0.00 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 57.91 1ci5 n SER 59 Cb 0.00 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 1ci5 n SER 59 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ci5 n GLY 60 N 1.42 1.28 3.58 0.23 0.00 -1.23 -4.48 105.19 105.99 1ci5 n GLY 60 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 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 1.14 -4.40 1.61 3.41 -1.26 -4.57 113.62 109.55 1ci5 n SER 61 Ca 0.00 1.13 -0.32 0.00 -0.26 0.00 0.00 58.87 59.42 1ci5 n SER 61 Cb 0.00 -1.29 -0.14 0.00 -0.26 0.00 0.00 64.21 62.52 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 0.33 2.54 -0.29 1.04 2.96 -1.00 0.11 118.68 124.37 1ci5 s LEU 62 Ca 0.60 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 1ci5 s LEU 62 Cb -0.66 -1.51 0.08 0.00 0.50 0.00 0.00 46.19 44.60 1ci5 s LEU 62 CO 0.59 0.29 0.02 -0.89 -1.32 0.00 0.00 176.35 175.04 1ci5 s THR 63 N -0.38 1.56 0.49 3.68 2.01 0.19 0.18 115.64 123.37 1ci5 s THR 63 Ca 0.04 -1.59 -0.11 0.00 0.31 0.00 0.00 61.69 60.34 1ci5 s THR 63 Cb -0.12 -2.01 -0.05 0.00 0.01 0.00 0.00 72.50 70.32 1ci5 s THR 63 CO 0.02 -0.41 0.87 -0.63 -0.69 0.00 0.00 174.62 173.79 1ci5 s ILE 64 N 1.32 4.75 0.00 1.82 1.01 -0.20 0.22 121.20 130.12 1ci5 s ILE 64 Ca 0.03 0.70 0.00 0.00 0.00 0.00 0.00 60.65 61.38 1ci5 s ILE 64 Cb -0.18 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.49 1ci5 s ILE 64 CO -0.12 -0.77 0.00 -1.22 0.00 0.00 0.00 174.94 172.83 1ci5 n TYR 65 N -1.91 0.00 -1.55 3.97 4.01 -0.76 -2.27 117.16 118.64 1ci5 n TYR 65 Ca 0.04 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.53 1ci5 n TYR 65 Cb 0.54 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.50 1ci5 n TYR 65 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1ci5 n ASN 66 N 0.00 1.71 -4.91 7.72 4.13 -1.26 -4.29 115.26 118.37 1ci5 n ASN 66 Ca 0.00 -0.96 -0.28 0.00 1.68 0.00 0.00 54.58 55.03 1ci5 n ASN 66 Cb 0.00 -1.52 -0.02 0.00 -1.54 0.00 0.00 39.78 36.70 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 12.56 3.94 0.30 3.41 1.43 -1.26 -4.96 118.68 134.11 1ci5 s LEU 67 Ca 1.00 0.75 0.00 0.00 -1.03 0.00 0.00 54.13 54.85 1ci5 s LEU 67 Cb -0.26 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.34 1ci5 s LEU 67 CO 0.21 -0.31 0.33 0.42 0.23 0.00 0.00 176.35 177.23 1ci5 s THR 68 N -2.28 0.00 0.25 5.49 -4.23 -1.26 -3.79 115.64 109.81 1ci5 s THR 68 Ca 0.45 -1.80 0.36 0.00 -1.18 0.00 0.00 61.69 59.51 1ci5 s THR 68 Cb -0.10 -2.52 0.38 0.00 1.34 0.00 0.00 72.50 71.60 1ci5 s THR 68 CO 0.34 0.00 2.09 -1.28 -0.54 0.00 0.00 174.62 175.23 1ci5 h SER 69 N 2.25 0.00 1.32 3.99 0.87 -1.98 -0.37 113.55 119.62 1ci5 h SER 69 Ca -0.29 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.19 1ci5 h SER 69 Cb 1.24 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.19 1ci5 h SER 69 CO 0.41 0.00 -0.71 -1.28 -0.53 0.00 0.00 176.83 174.72 1ci5 h SER 70 N 0.00 0.00 0.70 6.23 0.87 -1.98 -3.23 113.55 116.13 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 0.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1ci5 h SER 70 CO 0.00 0.35 0.00 0.44 -0.53 0.00 0.00 176.83 177.09 1ci5 h ASP 71 N 0.00 0.00 -0.11 6.23 5.19 -1.44 -3.36 116.42 122.93 1ci5 h ASP 71 Ca -0.04 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.77 1ci5 h ASP 71 Cb 1.30 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.84 1ci5 h ASP 71 CO 0.04 0.00 2.13 1.21 -3.12 0.00 0.00 179.24 179.50 1ci5 n GLU 72 N -3.01 1.65 -4.06 3.56 2.13 -1.22 -4.69 120.64 115.00 1ci5 n GLU 72 Ca -0.00 -2.04 -0.10 0.00 0.66 0.00 0.00 57.16 55.68 1ci5 n GLU 72 Cb 0.23 -3.10 -0.09 0.00 0.27 0.00 0.00 31.44 28.75 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 5.13 0.17 -0.26 4.31 1.11 -1.13 -4.91 116.67 121.10 1ci5 s ASP 73 Ca 0.59 -1.05 -0.29 0.00 0.18 0.00 0.00 52.55 51.97 1ci5 s ASP 73 Cb 0.11 0.37 0.00 0.00 1.07 0.00 0.00 42.92 44.48 1ci5 s ASP 73 CO 0.11 -0.82 1.17 -1.61 1.18 0.00 0.00 175.17 175.21 1ci5 s GLU 74 N -4.01 4.10 0.32 8.23 2.02 -1.26 -2.17 118.70 125.93 1ci5 s GLU 74 Ca 0.21 1.31 -0.06 0.00 0.02 0.00 0.00 54.97 56.46 1ci5 s GLU 74 Cb 0.05 -3.76 -0.05 0.00 0.10 0.00 0.00 34.13 30.47 1ci5 s GLU 74 CO 0.01 -0.86 0.60 0.71 0.02 0.00 0.00 175.26 175.75 1ci5 s TYR 75 N 3.72 3.48 -0.02 1.61 1.51 0.30 -3.18 117.35 124.76 1ci5 s TYR 75 Ca 0.50 0.70 -0.00 0.00 -1.01 0.00 0.00 57.07 57.26 1ci5 s TYR 75 Cb -0.16 -2.16 0.03 0.00 -0.11 0.00 0.00 41.96 39.56 1ci5 s TYR 75 CO 0.15 0.10 0.03 -2.00 -1.11 0.00 0.00 175.55 172.72 1ci5 s GLU 76 N -3.72 0.01 -0.21 -0.62 2.12 0.56 -1.39 118.70 115.45 1ci5 s GLU 76 Ca 0.45 0.18 -0.06 0.00 0.36 0.00 0.00 54.97 55.90 1ci5 s GLU 76 Cb -0.11 -0.30 -0.03 0.00 0.26 0.00 0.00 34.13 33.96 1ci5 s GLU 76 CO 0.31 -0.17 0.02 1.41 -0.54 0.00 0.00 175.26 176.29 1ci5 s MET 77 N 1.11 3.64 -0.34 4.30 -2.45 -0.27 0.13 119.30 125.43 1ci5 s MET 77 Ca -0.09 -0.50 -0.08 0.00 -1.25 0.00 0.00 55.69 53.77 1ci5 s MET 77 Cb -0.13 -3.14 0.02 0.00 1.25 0.00 0.00 34.83 32.84 1ci5 s MET 77 CO -0.03 -0.02 0.14 -2.00 1.05 0.00 0.00 175.02 174.16 1ci5 s GLU 78 N 1.10 2.86 -0.09 4.11 2.56 0.30 -1.59 118.70 127.95 1ci5 s GLU 78 Ca 0.03 -1.03 0.01 0.00 0.00 0.00 0.00 54.97 53.98 1ci5 s GLU 78 Cb -0.14 -3.55 0.02 0.00 2.00 0.00 0.00 34.13 32.46 1ci5 s GLU 78 CO 0.02 -0.61 -0.10 0.45 -0.56 0.00 0.00 175.26 174.46 1ci5 s SER 79 N 1.50 2.02 0.40 -1.70 0.15 -1.26 -0.29 113.70 114.51 1ci5 s SER 79 Ca 0.01 -0.31 0.12 0.00 0.70 0.00 0.00 55.95 56.46 1ci5 s SER 79 Cb -0.19 -0.86 0.92 0.00 -1.71 0.00 0.00 66.02 64.19 1ci5 s SER 79 CO 0.04 -0.04 1.92 -0.65 1.20 0.00 0.00 173.24 175.72 1ci5 h PRO 80 N 7.59 0.54 -0.00 5.44 0.11 -1.95 -0.82 132.00 142.90 1ci5 h PRO 80 Ca -0.31 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 65.55 1ci5 h PRO 80 Cb 1.16 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1ci5 h PRO 80 CO 0.45 0.36 -0.92 -0.97 -0.21 0.00 0.00 178.00 176.71 1ci5 h ASN 81 N 0.56 0.48 -4.12 -2.05 -1.24 -1.96 -3.46 115.58 103.80 1ci5 h ASN 81 Ca 0.37 -0.38 -0.54 0.00 0.71 0.00 0.00 56.30 56.45 1ci5 h ASN 81 Cb 0.65 -0.15 0.18 0.00 0.73 0.00 0.00 38.32 39.73 1ci5 h ASN 81 CO -0.13 1.18 0.33 -0.38 -1.29 0.00 0.00 177.43 177.14 1ci5 n ILE 82 N -3.74 2.66 -0.08 2.57 5.41 -0.32 -4.94 119.36 120.93 1ci5 n ILE 82 Ca -0.06 -0.28 -0.15 0.00 1.00 0.00 0.00 62.75 63.26 1ci5 n ILE 82 Cb 0.82 -1.24 -0.05 0.00 -0.71 0.00 0.00 39.64 38.47 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 -0.57 1.29 0.00 1.39 2.02 -1.88 -3.47 112.91 111.68 1ci5 h THR 83 Ca -0.47 -1.70 0.00 0.00 0.77 0.00 0.00 66.41 65.00 1ci5 h THR 83 Cb 1.31 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.41 1ci5 h THR 83 CO 0.47 0.55 0.00 0.47 0.37 0.00 0.00 175.52 177.38 1ci5 n ASP 84 N -4.07 0.00 -3.59 4.18 8.00 -1.26 -5.14 116.55 114.67 1ci5 n ASP 84 Ca -0.05 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.41 1ci5 n ASP 84 Cb 0.61 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.69 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 1.00 -0.20 -0.54 -2.24 1.04 -1.26 -4.55 113.70 106.94 1ci5 s SER 85 Ca 0.00 -0.07 -0.08 0.00 0.48 0.00 0.00 55.95 56.28 1ci5 s SER 85 Cb 0.00 0.27 0.14 0.00 0.10 0.00 0.00 66.02 66.53 1ci5 s SER 85 CO 0.00 -0.45 0.40 -0.32 0.98 0.00 0.00 173.24 173.85 1ci5 s MET 86 N -2.75 2.58 -0.60 4.02 1.75 -0.62 -4.86 119.30 118.82 1ci5 s MET 86 Ca 0.09 -2.04 -0.21 0.00 -1.25 0.00 0.00 55.69 52.28 1ci5 s MET 86 Cb -0.00 -3.91 0.07 0.00 2.84 0.00 0.00 34.83 33.83 1ci5 s MET 86 CO -0.05 -1.19 0.83 0.15 -0.65 0.00 0.00 175.02 174.11 1ci5 s LYS 87 N 0.86 3.13 -0.22 4.11 3.01 -1.26 -1.12 119.74 128.26 1ci5 s LYS 87 Ca 0.10 -0.87 -0.02 0.00 -1.01 0.00 0.00 55.97 54.16 1ci5 s LYS 87 Cb -0.22 -4.19 0.01 0.00 -1.01 0.00 0.00 37.83 32.42 1ci5 s LYS 87 CO -0.03 -1.59 -0.08 -0.06 0.51 0.00 0.00 175.35 174.11 1ci5 s PHE 88 N 3.44 2.95 -0.34 3.18 0.40 -0.49 -2.42 117.98 124.70 1ci5 s PHE 88 Ca 0.19 -1.22 -0.25 0.00 -0.60 0.00 0.00 56.93 55.05 1ci5 s PHE 88 Cb -0.18 -2.06 0.01 0.00 0.51 0.00 0.00 43.02 41.29 1ci5 s PHE 88 CO 0.11 -0.64 0.86 0.12 0.70 0.00 0.00 175.22 176.37 1ci5 s PHE 89 N 1.41 3.13 0.06 0.36 2.19 0.28 -0.54 117.98 124.87 1ci5 s PHE 89 Ca 0.04 0.77 -0.11 0.00 0.33 0.00 0.00 56.93 57.96 1ci5 s PHE 89 Cb -0.15 -3.46 -0.06 0.00 -1.31 0.00 0.00 43.02 38.05 1ci5 s PHE 89 CO -0.05 -0.72 0.41 -1.17 1.83 0.00 0.00 175.22 175.52 1ci5 s LEU 90 N 3.24 4.38 -0.14 6.12 2.96 -0.92 0.10 118.68 134.43 1ci5 s LEU 90 Ca 0.35 0.85 -0.00 0.00 -0.22 0.00 0.00 54.13 55.11 1ci5 s LEU 90 Cb -0.13 -2.89 0.03 0.00 0.50 0.00 0.00 46.19 43.70 1ci5 s LEU 90 CO 0.16 0.21 -0.09 -0.31 -1.32 0.00 0.00 176.35 175.00 1ci5 s TYR 91 N -1.31 1.73 -0.17 5.38 2.02 -0.21 -2.82 117.35 121.96 1ci5 s TYR 91 Ca 0.31 -0.96 -0.15 0.00 -0.37 0.00 0.00 57.07 55.89 1ci5 s TYR 91 Cb -0.15 -1.35 -0.04 0.00 -0.40 0.00 0.00 41.96 40.02 1ci5 s TYR 91 CO 0.17 -0.58 0.36 0.08 -1.57 0.00 0.00 175.55 174.00 1ci5 s VAL 92 N 1.63 5.25 0.41 0.71 1.01 -1.26 0.11 120.40 128.25 1ci5 s VAL 92 Ca 0.04 0.66 0.03 0.00 0.00 0.00 0.00 61.98 62.71 1ci5 s VAL 92 Cb -0.13 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1ci5 s VAL 92 CO -0.09 0.32 0.09 -0.83 0.00 0.00 0.00 175.10 174.59 1ci5 s GLY 93 N 0.77 2.57 -0.03 4.51 0.00 -0.28 -4.90 107.32 109.96 1ci5 s GLY 93 Ca 0.19 -1.28 -0.06 0.00 0.00 0.00 0.00 44.72 43.56 1ci5 s GLY 93 CO 0.07 -1.89 0.72 0.83 0.00 0.00 0.00 173.10 172.82 1ci5 h GLU 94 N 1.78 0.31 0.00 2.90 3.07 -1.94 0.30 114.58 121.00 1ci5 h GLU 94 Ca -0.38 -0.53 0.00 0.00 -0.50 0.00 0.00 59.36 57.96 1ci5 h GLU 94 Cb 1.27 0.20 0.00 0.00 -0.84 0.00 0.00 28.75 29.38 1ci5 h GLU 94 CO 0.62 1.19 0.00 0.45 -1.40 0.00 0.00 179.01 179.87