#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 -0.03 -0.08 -3.46 1.04 -1.26 -4.43 113.70 105.49 1ci5 s SER 2 Ca 0.00 -0.17 -0.07 0.00 0.48 0.00 0.00 55.95 56.19 1ci5 s SER 2 Cb 0.00 0.16 0.02 0.00 0.10 0.00 0.00 66.02 66.30 1ci5 s SER 2 CO 0.00 -0.30 0.20 -1.58 0.98 0.00 0.00 173.24 172.54 1ci5 s GLN 3 N -2.23 0.23 -0.13 4.02 2.00 -1.04 -5.04 119.66 117.48 1ci5 s GLN 3 Ca 0.21 0.28 -0.09 0.00 -2.00 0.00 0.00 55.36 53.76 1ci5 s GLN 3 Cb 0.03 0.10 -0.04 0.00 0.80 0.00 0.00 33.01 33.89 1ci5 s GLN 3 CO -0.02 -0.03 0.18 -0.65 -0.50 0.00 0.00 175.29 174.26 1ci5 s GLN 4 N 0.15 3.72 0.20 1.67 -0.21 -1.26 -0.28 119.66 123.65 1ci5 s GLN 4 Ca -0.00 -0.07 0.08 0.00 0.02 0.00 0.00 55.36 55.39 1ci5 s GLN 4 Cb -0.02 -3.26 -0.04 0.00 1.00 0.00 0.00 33.01 30.69 1ci5 s GLN 4 CO -0.00 0.62 -0.03 0.42 -2.12 0.00 0.00 175.29 174.18 1ci5 s ILE 5 N -0.61 3.49 -0.19 1.08 -1.09 0.41 -4.90 121.20 119.40 1ci5 s ILE 5 Ca 0.15 -1.61 -0.05 0.00 -2.23 0.00 0.00 60.65 56.91 1ci5 s ILE 5 Cb -0.12 -2.77 -0.02 0.00 -1.58 0.00 0.00 42.46 37.96 1ci5 s ILE 5 CO 0.04 -0.17 -0.01 -0.31 -1.23 0.00 0.00 174.94 173.25 1ci5 s TYR 6 N -1.86 3.03 0.35 3.97 1.51 -1.26 -1.82 117.35 121.27 1ci5 s TYR 6 Ca 0.27 -0.43 0.04 0.00 -1.01 0.00 0.00 57.07 55.94 1ci5 s TYR 6 Cb -0.08 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.68 1ci5 s TYR 6 CO 0.18 -0.19 0.14 0.20 -1.11 0.00 0.00 175.55 174.76 1ci5 s GLY 7 N 0.84 2.27 -0.09 0.71 0.00 0.13 -4.90 107.32 106.28 1ci5 s GLY 7 Ca 0.00 -1.62 -0.10 0.00 0.00 0.00 0.00 44.72 43.01 1ci5 s GLY 7 CO 0.02 -1.71 0.27 -1.34 0.00 0.00 0.00 173.10 170.34 1ci5 s VAL 8 N -3.41 0.01 0.22 1.40 -7.23 -1.26 -0.76 120.40 109.36 1ci5 s VAL 8 Ca 0.31 -0.04 -0.30 0.00 -1.81 0.00 0.00 61.98 60.14 1ci5 s VAL 8 Cb 0.05 -0.39 -0.15 0.00 0.56 0.00 0.00 36.38 36.44 1ci5 s VAL 8 CO 0.16 -0.02 1.05 1.17 -0.31 0.00 0.00 175.10 177.14 1ci5 n LYS 9 N 2.81 1.13 -1.78 4.82 4.81 0.34 -0.00 118.16 130.29 1ci5 n LYS 9 Ca -0.13 0.40 -0.19 0.00 -0.87 0.00 0.00 58.31 57.52 1ci5 n LYS 9 Cb 0.58 -1.80 -0.06 0.00 0.02 0.00 0.00 35.03 33.77 1ci5 n LYS 9 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1ci5 n TYR 10 N 0.85 -0.27 -4.36 5.64 4.01 -0.37 -4.81 117.16 117.85 1ci5 n TYR 10 Ca 0.13 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.71 1ci5 n TYR 10 Cb 0.27 -3.30 -0.03 0.00 -0.31 0.00 0.00 39.34 35.97 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 -0.79 3.87 3.52 2.72 0.00 1.00 -4.76 105.19 110.75 1ci5 n GLY 11 Ca -0.20 -2.27 -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 -2.37 3.83 0.01 1.61 2.20 -1.26 -1.99 114.94 116.98 1ci5 s ASN 12 Ca 0.01 -0.95 -0.28 0.00 -0.94 0.00 0.00 52.86 50.69 1ci5 s ASN 12 Cb 0.00 -0.43 0.07 0.00 -2.00 0.00 0.00 41.25 38.89 1ci5 s ASN 12 CO 0.00 0.01 0.65 0.68 -2.94 0.00 0.00 177.10 175.50 1ci5 s VAL 13 N -2.47 0.00 0.04 3.54 -7.23 -1.00 -4.70 120.40 108.57 1ci5 s VAL 13 Ca 0.31 -0.02 0.07 0.00 -1.81 0.00 0.00 61.98 60.52 1ci5 s VAL 13 Cb -0.05 -0.99 -0.02 0.00 0.56 0.00 0.00 36.38 35.88 1ci5 s VAL 13 CO 0.16 -0.01 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.86 1ci5 s THR 14 N -1.94 1.55 -0.74 5.32 2.01 -1.26 -0.89 115.64 119.70 1ci5 s THR 14 Ca -0.08 -1.13 -0.01 0.00 0.31 0.00 0.00 61.69 60.78 1ci5 s THR 14 Cb -0.00 -1.35 0.18 0.00 0.01 0.00 0.00 72.50 71.34 1ci5 s THR 14 CO 0.03 0.18 0.57 -0.36 -0.69 0.00 0.00 174.62 174.36 1ci5 s PHE 15 N -0.78 3.60 0.63 4.92 0.40 0.53 -4.96 117.98 122.32 1ci5 s PHE 15 Ca 0.06 -2.93 -0.18 0.00 -0.60 0.00 0.00 56.93 53.29 1ci5 s PHE 15 Cb -0.08 -3.15 -0.02 0.00 0.51 0.00 0.00 43.02 40.28 1ci5 s PHE 15 CO 0.01 -0.76 1.19 -1.01 0.70 0.00 0.00 175.22 175.36 1ci5 s HIS 16 N -0.74 2.36 -0.24 0.36 3.76 -1.26 -2.41 115.29 117.11 1ci5 s HIS 16 Ca 0.22 1.54 0.01 0.00 -0.15 0.00 0.00 55.06 56.68 1ci5 s HIS 16 Cb -0.14 -3.44 0.06 0.00 1.11 0.00 0.00 32.58 30.18 1ci5 s HIS 16 CO -0.08 -2.21 -0.05 0.08 -0.85 0.00 0.00 174.74 171.63 1ci5 s VAL 17 N -1.77 1.58 -0.52 -0.90 1.01 -1.26 -4.95 120.40 113.59 1ci5 s VAL 17 Ca 0.75 -1.29 -0.13 0.00 0.00 0.00 0.00 61.98 61.31 1ci5 s VAL 17 Cb -0.29 -1.85 -0.13 0.00 0.00 0.00 0.00 36.38 34.11 1ci5 s VAL 17 CO 0.36 -0.13 1.72 -2.65 0.00 0.00 0.00 175.10 174.40 1ci5 n PRO 18 N 4.65 1.11 -3.95 2.72 -0.02 -1.26 -4.75 135.00 133.49 1ci5 n PRO 18 Ca -0.11 -1.28 -0.31 0.00 -2.02 0.00 0.00 63.50 59.78 1ci5 n PRO 18 Cb 0.44 -2.49 -0.15 0.00 -0.02 0.00 0.00 33.50 31.28 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 4.82 4.52 0.52 2.55 0.15 -1.26 -4.97 113.70 120.04 1ci5 s SER 19 Ca 0.41 -2.21 0.26 0.00 0.70 0.00 0.00 55.95 55.10 1ci5 s SER 19 Cb 0.10 -1.47 1.38 0.00 -1.71 0.00 0.00 66.02 64.32 1ci5 s SER 19 CO 0.08 -0.36 1.97 -1.13 1.20 0.00 0.00 173.24 175.00 1ci5 h ASN 20 N 7.49 0.04 -3.92 5.45 -1.24 -1.97 -3.41 115.58 118.02 1ci5 h ASN 20 Ca -0.06 0.00 -0.48 0.00 0.71 0.00 0.00 56.30 56.48 1ci5 h ASN 20 Cb 1.00 -0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.04 1ci5 h ASN 20 CO 0.53 0.02 0.38 -1.10 -1.29 0.00 0.00 177.43 175.97 1ci5 s GLN 21 N -5.04 4.41 -0.05 6.67 1.11 -1.26 -5.00 119.66 120.50 1ci5 s GLN 21 Ca -0.05 1.43 -0.30 0.00 0.01 0.00 0.00 55.36 56.45 1ci5 s GLN 21 Cb 0.20 -2.70 -0.04 0.00 -1.01 0.00 0.00 33.01 29.46 1ci5 s GLN 21 CO 0.74 0.10 1.36 -1.25 0.01 0.00 0.00 175.29 176.25 1ci5 s PRO 22 N -2.22 4.28 -0.55 2.91 0.04 -1.26 -4.73 135.00 133.46 1ci5 s PRO 22 Ca 0.53 1.87 -0.23 0.00 0.04 0.00 0.00 61.00 63.20 1ci5 s PRO 22 Cb -0.21 -3.65 0.05 0.00 0.04 0.00 0.00 34.50 30.73 1ci5 s PRO 22 CO 0.26 -0.60 0.90 -0.51 0.04 0.00 0.00 177.00 177.09 1ci5 s LEU 23 N 2.75 4.23 0.10 -3.56 1.43 0.36 -4.87 118.68 119.13 1ci5 s LEU 23 Ca 0.61 -0.47 0.12 0.00 -1.03 0.00 0.00 54.13 53.36 1ci5 s LEU 23 Cb -0.28 -2.75 -0.14 0.00 0.03 0.00 0.00 46.19 43.04 1ci5 s LEU 23 CO 0.23 -1.20 1.06 0.11 0.23 0.00 0.00 176.35 176.78 1ci5 h LYS 24 N 9.29 0.00 -3.49 1.70 1.79 -1.92 -3.41 116.57 120.53 1ci5 h LYS 24 Ca -0.26 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.68 1ci5 h LYS 24 Cb 1.08 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.33 1ci5 h LYS 24 CO 1.08 0.62 -0.76 -1.21 -1.08 0.00 0.00 179.45 178.09 1ci5 s GLU 25 N -2.78 0.62 0.30 3.15 8.01 -1.26 -3.45 118.70 123.29 1ci5 s GLU 25 Ca -0.01 -0.53 0.09 0.00 0.01 0.00 0.00 54.97 54.53 1ci5 s GLU 25 Cb 0.09 -2.03 -0.06 0.00 -4.31 0.00 0.00 34.13 27.82 1ci5 s GLU 25 CO 0.80 -0.72 -0.10 0.54 0.01 0.00 0.00 175.26 175.79 1ci5 s VAL 26 N 1.84 2.01 -0.25 2.63 0.11 -0.37 -3.87 120.40 122.51 1ci5 s VAL 26 Ca 0.01 -2.21 -0.03 0.00 -2.93 0.00 0.00 61.98 56.82 1ci5 s VAL 26 Cb -0.17 -2.46 0.14 0.00 -1.53 0.00 0.00 36.38 32.35 1ci5 s VAL 26 CO -0.13 -0.31 0.42 -0.22 -3.33 0.00 0.00 175.10 171.53 1ci5 s LEU 27 N -3.50 -0.74 -0.11 2.54 2.96 0.37 0.13 118.68 120.33 1ci5 s LEU 27 Ca 0.30 0.44 -0.10 0.00 -0.22 0.00 0.00 54.13 54.55 1ci5 s LEU 27 Cb 0.01 1.31 -0.05 0.00 0.50 0.00 0.00 46.19 47.96 1ci5 s LEU 27 CO 0.14 -0.28 0.21 0.26 -1.32 0.00 0.00 176.35 175.36 1ci5 s TRP 28 N 2.60 3.59 0.15 5.38 0.52 0.18 0.10 118.94 131.46 1ci5 s TRP 28 Ca 0.12 0.62 0.07 0.00 0.02 0.00 0.00 56.10 56.92 1ci5 s TRP 28 Cb -0.15 -2.08 -0.04 0.00 -1.15 0.00 0.00 33.47 30.05 1ci5 s TRP 28 CO -0.16 0.62 -0.16 0.15 0.02 0.00 0.00 176.95 177.42 1ci5 s LYS 29 N -0.74 1.15 -0.21 4.98 3.01 0.29 -0.55 119.74 127.68 1ci5 s LYS 29 Ca 0.16 -1.34 -0.04 0.00 -1.01 0.00 0.00 55.97 53.75 1ci5 s LYS 29 Cb -0.13 -1.10 0.07 0.00 -1.01 0.00 0.00 37.83 35.66 1ci5 s LYS 29 CO 0.05 0.21 0.08 0.21 0.51 0.00 0.00 175.35 176.42 1ci5 s LYS 30 N -2.80 0.33 6.54 1.68 2.20 -0.25 0.34 119.74 127.79 1ci5 s LYS 30 Ca 0.13 -0.35 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 1ci5 s LYS 30 Cb -0.05 -1.82 0.00 0.00 -1.51 0.00 0.00 37.83 34.45 1ci5 s LYS 30 CO 0.05 -0.75 0.00 0.94 -0.36 0.00 0.00 175.35 175.23 1ci5 n GLN 31 N 5.16 0.00 -0.75 4.03 7.27 -1.22 -2.13 117.38 129.75 1ci5 n GLN 31 Ca -0.07 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 56.94 1ci5 n GLN 31 Cb 0.47 0.00 0.20 0.00 2.41 0.00 0.00 30.24 33.32 1ci5 n GLN 31 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1ci5 n LYS 32 N 13.25 2.78 -4.32 3.69 3.00 -1.26 -4.91 118.16 130.40 1ci5 n LYS 32 Ca 0.00 -2.15 -0.17 0.00 -0.00 0.00 0.00 58.31 55.99 1ci5 n LYS 32 Cb 0.00 -1.93 -0.10 0.00 0.00 0.00 0.00 35.03 33.00 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 -0.57 1.31 -0.00 3.14 1.01 -0.90 -5.16 116.67 115.49 1ci5 s ASP 33 Ca 0.39 -1.45 0.00 0.00 0.71 0.00 0.00 52.55 52.20 1ci5 s ASP 33 Cb 0.31 0.26 -0.04 0.00 1.01 0.00 0.00 42.92 44.47 1ci5 s ASP 33 CO 0.09 -0.80 0.06 -0.54 0.21 0.00 0.00 175.17 174.19 1ci5 s LYS 34 N -3.95 2.97 -0.03 8.23 1.02 -1.26 -1.08 119.74 125.64 1ci5 s LYS 34 Ca 0.37 -0.53 -0.03 0.00 0.02 0.00 0.00 55.97 55.80 1ci5 s LYS 34 Cb 0.07 -2.80 -0.01 0.00 -0.52 0.00 0.00 37.83 34.57 1ci5 s LYS 34 CO 0.15 0.64 -0.06 0.28 -0.92 0.00 0.00 175.35 175.44 1ci5 n VAL 35 N 1.24 0.27 -4.14 3.17 0.31 0.29 -4.14 118.33 115.32 1ci5 n VAL 35 Ca -0.13 0.38 -0.09 0.00 -0.01 0.00 0.00 64.34 64.48 1ci5 n VAL 35 Cb 0.53 -1.58 -0.10 0.00 -0.91 0.00 0.00 33.84 31.78 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 -2.84 0.82 -0.18 3.52 0.00 -0.92 -0.87 121.76 121.29 1ci5 s ALA 36 Ca -0.05 -1.35 -0.09 0.00 0.00 0.00 0.00 51.96 50.47 1ci5 s ALA 36 Cb 0.01 0.41 0.06 0.00 0.00 0.00 0.00 23.12 23.60 1ci5 s ALA 36 CO 0.07 -0.35 0.42 -2.00 0.00 0.00 0.00 175.76 173.90 1ci5 s GLU 37 N -3.93 0.40 0.05 0.00 -6.30 -0.67 0.48 118.70 108.73 1ci5 s GLU 37 Ca 0.14 0.85 0.06 0.00 -2.50 0.00 0.00 54.97 53.52 1ci5 s GLU 37 Cb 0.07 0.04 -0.04 0.00 0.00 0.00 0.00 34.13 34.20 1ci5 s GLU 37 CO -0.04 -0.17 -0.12 -1.17 0.02 0.00 0.00 175.26 173.78 1ci5 s LEU 38 N 1.60 2.92 -0.30 2.70 2.96 0.34 -2.05 118.68 126.86 1ci5 s LEU 38 Ca -0.08 -0.33 -0.17 0.00 -0.22 0.00 0.00 54.13 53.33 1ci5 s LEU 38 Cb -0.09 -1.71 0.18 0.00 0.50 0.00 0.00 46.19 45.07 1ci5 s LEU 38 CO -0.13 0.24 1.16 -0.70 -1.32 0.00 0.00 176.35 175.59 1ci5 s GLU 39 N -1.69 0.16 -1.27 1.98 2.12 -0.16 -1.23 118.70 118.61 1ci5 s GLU 39 Ca 0.18 0.32 -0.04 0.00 0.36 0.00 0.00 54.97 55.79 1ci5 s GLU 39 Cb -0.11 0.09 -0.01 0.00 0.26 0.00 0.00 34.13 34.37 1ci5 s GLU 39 CO 0.09 -0.04 0.71 0.09 -0.54 0.00 0.00 175.26 175.56 1ci5 n ASN 40 N 3.79 -2.12 -1.88 -1.70 3.02 -1.22 -0.60 115.26 114.55 1ci5 n ASN 40 Ca -0.14 -0.86 -0.19 0.00 -0.03 0.00 0.00 54.58 53.36 1ci5 n ASN 40 Cb 0.56 -3.96 -0.05 0.00 -0.61 0.00 0.00 39.78 35.71 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 -3.01 -5.13 -4.12 6.41 3.41 -1.26 -4.94 113.62 104.99 1ci5 n SER 41 Ca -0.25 0.30 -0.33 0.00 -0.26 0.00 0.00 58.87 58.32 1ci5 n SER 41 Cb 0.66 -4.46 -0.14 0.00 -0.26 0.00 0.00 64.21 60.01 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 -4.15 2.32 -0.18 4.33 2.12 0.23 -5.09 118.70 118.27 1ci5 s GLU 42 Ca 0.00 -1.32 -0.04 0.00 0.36 0.00 0.00 54.97 53.97 1ci5 s GLU 42 Cb 0.00 -3.03 -0.02 0.00 0.26 0.00 0.00 34.13 31.33 1ci5 s GLU 42 CO 0.00 -0.60 -0.03 0.12 -0.54 0.00 0.00 175.26 174.21 1ci5 s PHE 43 N 1.17 3.01 -0.19 5.30 5.36 -1.26 -0.99 117.98 130.38 1ci5 s PHE 43 Ca -0.07 -0.46 -0.14 0.00 -0.96 0.00 0.00 56.93 55.30 1ci5 s PHE 43 Cb -0.20 -2.02 0.05 0.00 -0.34 0.00 0.00 43.02 40.51 1ci5 s PHE 43 CO -0.03 -0.19 0.48 0.50 -1.46 0.00 0.00 175.22 174.51 1ci5 s ARG 44 N 0.76 0.52 0.20 10.12 3.52 -0.87 -5.02 118.95 128.18 1ci5 s ARG 44 Ca -0.01 0.76 0.04 0.00 -0.13 0.00 0.00 55.73 56.39 1ci5 s ARG 44 Cb -0.14 0.16 -0.03 0.00 -1.56 0.00 0.00 34.95 33.38 1ci5 s ARG 44 CO 0.02 -0.10 0.31 0.00 -0.81 0.00 0.00 175.30 174.72 1ci5 s ALA 45 N 0.75 3.92 0.00 6.12 0.00 -1.26 -1.67 121.76 129.63 1ci5 s ALA 45 Ca -0.04 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1ci5 s ALA 45 Cb -0.05 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.34 1ci5 s ALA 45 CO -0.06 0.38 0.00 1.19 0.00 0.00 0.00 175.76 177.27 1ci5 n PHE 46 N -0.99 -0.93 -2.47 0.00 3.01 -0.05 -4.37 117.46 111.66 1ci5 n PHE 46 Ca -0.08 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.31 1ci5 n PHE 46 Cb 0.56 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 40.02 1ci5 n PHE 46 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1ci5 n SER 47 N -1.23 -2.55 -1.68 4.37 7.64 -1.26 0.99 113.62 119.91 1ci5 n SER 47 Ca 0.00 0.34 -0.19 0.00 1.01 0.00 0.00 58.87 60.03 1ci5 n SER 47 Cb 0.00 -2.23 -0.07 0.00 -1.01 0.00 0.00 64.21 60.89 1ci5 n SER 47 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ci5 n SER 48 N -1.66 -5.13 0.17 6.43 3.41 -1.26 -4.82 113.62 110.75 1ci5 n SER 48 Ca -0.08 0.41 0.03 0.00 -0.26 0.00 0.00 58.87 58.98 1ci5 n SER 48 Cb 0.56 -4.53 0.25 0.00 -0.26 0.00 0.00 64.21 60.24 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 0.00 0.00 -2.41 7.33 -1.00 0.36 -3.46 116.94 117.75 1ci5 h PHE 49 Ca -0.40 0.00 -0.56 0.00 2.81 0.00 0.00 57.97 59.82 1ci5 h PHE 49 Cb 1.27 0.00 0.22 0.00 3.61 0.00 0.00 35.95 41.04 1ci5 h PHE 49 CO 0.55 0.46 -1.31 1.17 -1.61 0.00 0.00 178.31 177.57 1ci5 n LYS 50 N -3.55 -0.01 -0.90 1.51 4.81 -1.26 -2.06 118.16 116.71 1ci5 n LYS 50 Ca -0.00 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1ci5 n LYS 50 Cb 0.57 -1.26 0.00 0.00 0.02 0.00 0.00 35.03 34.36 1ci5 n LYS 50 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1ci5 n ASN 51 N 1.96 -0.26 -0.42 3.14 5.15 -1.26 -4.69 115.26 118.88 1ci5 n ASN 51 Ca 0.03 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.01 1ci5 n ASN 51 Cb 0.53 -0.60 0.00 0.00 -0.53 0.00 0.00 39.78 39.18 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 -2.01 0.00 -4.15 1.20 1.74 -0.88 -5.07 116.66 107.49 1ci5 n ARG 52 Ca 0.00 -0.70 -0.16 0.00 -0.77 0.00 0.00 57.85 56.22 1ci5 n ARG 52 Cb 0.01 -0.38 -0.11 0.00 -1.02 0.00 0.00 32.46 30.95 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 0.95 -0.30 1.55 -7.23 -1.25 -0.55 120.40 113.56 1ci5 s VAL 53 Ca 0.00 -1.39 -0.02 0.00 -1.81 0.00 0.00 61.98 58.76 1ci5 s VAL 53 Cb 0.00 -1.09 0.12 0.00 0.56 0.00 0.00 36.38 35.97 1ci5 s VAL 53 CO 0.00 -0.37 0.18 -0.47 -0.31 0.00 0.00 175.10 174.13 1ci5 s TYR 54 N -1.71 0.25 -0.10 2.82 5.04 0.23 -4.98 117.35 118.90 1ci5 s TYR 54 Ca -0.01 -0.91 -0.13 0.00 -2.44 0.00 0.00 57.07 53.58 1ci5 s TYR 54 Cb -0.07 -0.82 -0.05 0.00 0.35 0.00 0.00 41.96 41.37 1ci5 s TYR 54 CO 0.01 -0.85 0.30 -1.17 -1.34 0.00 0.00 175.55 172.51 1ci5 s LEU 55 N 1.92 4.34 0.25 6.97 2.96 -1.26 0.11 118.68 133.96 1ci5 s LEU 55 Ca 0.11 0.65 -0.29 0.00 -0.22 0.00 0.00 54.13 54.38 1ci5 s LEU 55 Cb -0.17 -2.39 -0.09 0.00 0.50 0.00 0.00 46.19 44.04 1ci5 s LEU 55 CO -0.28 0.22 0.93 -0.62 -1.32 0.00 0.00 176.35 175.29 1ci5 s ASP 56 N -0.28 7.60 -0.55 3.68 -1.08 0.32 -4.96 116.67 121.39 1ci5 s ASP 56 Ca 0.19 1.92 -0.00 0.00 -0.52 0.00 0.00 52.55 54.13 1ci5 s ASP 56 Cb -0.14 -2.60 0.46 0.00 -1.46 0.00 0.00 42.92 39.18 1ci5 s ASP 56 CO 0.07 0.13 1.98 1.07 0.52 0.00 0.00 175.17 178.95 1ci5 n THR 57 N 1.38 3.36 0.02 1.71 5.66 -1.26 -3.39 114.28 121.76 1ci5 n THR 57 Ca -0.02 -2.44 0.00 0.00 -3.05 0.00 0.00 64.05 58.54 1ci5 n THR 57 Cb 0.47 -1.01 0.00 0.00 -1.55 0.00 0.00 70.33 68.24 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 -0.78 0.00 -0.21 1.09 3.00 -1.26 -4.83 118.16 115.17 1ci5 n LYS 58 Ca 0.56 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.95 1ci5 n LYS 58 Cb 0.90 -0.09 0.19 0.00 0.00 0.00 0.00 35.03 36.03 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 -2.78 3.14 0.00 3.14 2.88 -1.26 -0.48 113.62 118.26 1ci5 n SER 59 Ca 0.00 -1.95 0.00 0.00 -1.33 0.00 0.00 58.87 55.59 1ci5 n SER 59 Cb 0.00 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 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 0.89 0.93 3.55 0.46 0.00 -1.22 -4.50 105.19 105.29 1ci5 n GLY 60 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.12 -4.11 1.61 7.64 -1.26 -4.60 113.62 112.78 1ci5 n SER 61 Ca 0.00 0.76 -0.21 0.00 1.01 0.00 0.00 58.87 60.43 1ci5 n SER 61 Cb 0.00 -1.29 -0.14 0.00 -1.01 0.00 0.00 64.21 61.77 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 -0.78 2.08 -0.23 -3.43 2.96 -1.01 0.12 118.68 118.38 1ci5 s LEU 62 Ca 0.73 -0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 54.32 1ci5 s LEU 62 Cb -0.43 -0.65 0.07 0.00 0.50 0.00 0.00 46.19 45.68 1ci5 s LEU 62 CO 0.50 0.12 0.00 -0.89 -1.32 0.00 0.00 176.35 174.76 1ci5 s THR 63 N -0.49 1.09 0.42 3.68 2.01 0.30 0.20 115.64 122.84 1ci5 s THR 63 Ca 0.04 -1.03 -0.08 0.00 0.31 0.00 0.00 61.69 60.93 1ci5 s THR 63 Cb -0.06 -1.52 -0.05 0.00 0.01 0.00 0.00 72.50 70.88 1ci5 s THR 63 CO 0.00 -0.23 0.75 -0.63 -0.69 0.00 0.00 174.62 173.82 1ci5 s ILE 64 N 1.58 4.86 0.17 1.82 1.01 -0.06 0.78 121.20 131.36 1ci5 s ILE 64 Ca -0.02 0.39 0.08 0.00 0.00 0.00 0.00 60.65 61.11 1ci5 s ILE 64 Cb -0.18 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 1ci5 s ILE 64 CO -0.09 -0.61 -0.17 -0.31 0.00 0.00 0.00 174.94 173.76 1ci5 s TYR 65 N -2.47 1.77 -0.14 3.97 2.02 0.28 -2.39 117.35 120.40 1ci5 s TYR 65 Ca 0.49 -0.50 -0.06 0.00 -0.37 0.00 0.00 57.07 56.63 1ci5 s TYR 65 Cb -0.10 -0.86 0.02 0.00 -0.40 0.00 0.00 41.96 40.61 1ci5 s TYR 65 CO 0.36 0.33 0.11 -1.71 -1.57 0.00 0.00 175.55 173.07 1ci5 n ASN 66 N 0.12 -4.37 -4.77 2.29 5.15 -0.84 -4.88 115.26 107.96 1ci5 n ASN 66 Ca -0.12 1.16 -0.22 0.00 -0.60 0.00 0.00 54.58 54.80 1ci5 n ASN 66 Cb 0.58 -3.89 -0.05 0.00 -0.53 0.00 0.00 39.78 35.89 1ci5 n ASN 66 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1ci5 s LEU 67 N -0.71 3.43 0.00 1.20 1.43 -1.23 -4.83 118.68 117.98 1ci5 s LEU 67 Ca -0.13 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 1ci5 s LEU 67 Cb 0.01 -1.96 -0.00 0.00 0.03 0.00 0.00 46.19 44.27 1ci5 s LEU 67 CO 0.50 -0.24 0.00 0.35 0.23 0.00 0.00 176.35 177.19 1ci5 n THR 68 N -1.19 0.00 0.82 5.49 -2.24 -1.26 -1.23 114.28 114.67 1ci5 n THR 68 Ca -0.04 -0.03 0.11 0.00 -2.27 0.00 0.00 64.05 61.83 1ci5 n THR 68 Cb 0.60 0.01 0.51 0.00 -2.10 0.00 0.00 70.33 69.35 1ci5 n THR 68 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ci5 n SER 69 N -2.54 0.00 0.06 3.42 7.64 -1.26 -2.61 113.62 118.33 1ci5 n SER 69 Ca 0.00 0.49 0.09 0.00 1.01 0.00 0.00 58.87 60.46 1ci5 n SER 69 Cb 0.01 -0.50 -0.06 0.00 -1.01 0.00 0.00 64.21 62.65 1ci5 n SER 69 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ci5 n SER 70 N -1.50 0.64 0.15 6.43 2.88 -1.26 -3.89 113.62 117.08 1ci5 n SER 70 Ca 0.06 0.26 0.13 0.00 -1.33 0.00 0.00 58.87 57.98 1ci5 n SER 70 Cb 0.28 0.75 0.48 0.00 -0.75 0.00 0.00 64.21 64.97 1ci5 n SER 70 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1ci5 h ASP 71 N 0.00 0.00 0.00 -3.46 5.19 -1.89 -3.38 116.42 112.88 1ci5 h ASP 71 Ca -0.04 0.00 -0.63 0.00 -0.62 0.00 0.00 57.03 55.74 1ci5 h ASP 71 Cb 1.14 0.00 0.05 0.00 0.18 0.00 0.00 39.33 40.69 1ci5 h ASP 71 CO 0.01 0.00 2.34 1.21 -3.12 0.00 0.00 179.24 179.67 1ci5 n GLU 72 N -2.44 1.56 -4.27 3.56 0.00 -1.25 -4.77 120.64 113.03 1ci5 n GLU 72 Ca 0.03 -1.82 -0.15 0.00 0.00 0.00 0.00 57.16 55.23 1ci5 n GLU 72 Cb 0.31 -2.88 -0.10 0.00 0.00 0.00 0.00 31.44 28.77 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 4.84 1.27 -0.29 4.31 1.01 -1.10 -4.89 116.67 121.82 1ci5 s ASP 73 Ca 0.55 -1.23 -0.29 0.00 0.71 0.00 0.00 52.55 52.30 1ci5 s ASP 73 Cb 0.14 0.12 0.02 0.00 1.01 0.00 0.00 42.92 44.20 1ci5 s ASP 73 CO 0.10 -0.60 1.07 -1.83 0.21 0.00 0.00 175.17 174.12 1ci5 s GLU 74 N -3.94 4.12 0.18 8.23 -1.05 -1.26 -2.10 118.70 122.88 1ci5 s GLU 74 Ca 0.28 1.15 -0.04 0.00 -0.15 0.00 0.00 54.97 56.21 1ci5 s GLU 74 Cb 0.06 -3.71 -0.05 0.00 -0.44 0.00 0.00 34.13 29.99 1ci5 s GLU 74 CO 0.07 -0.83 0.41 0.71 0.95 0.00 0.00 175.26 176.57 1ci5 s TYR 75 N 3.53 3.47 0.17 4.83 1.51 -0.35 -3.42 117.35 127.10 1ci5 s TYR 75 Ca 0.45 0.52 0.05 0.00 -1.01 0.00 0.00 57.07 57.08 1ci5 s TYR 75 Cb -0.13 -1.98 -0.05 0.00 -0.11 0.00 0.00 41.96 39.69 1ci5 s TYR 75 CO 0.13 0.38 -0.10 -1.21 -1.11 0.00 0.00 175.55 173.64 1ci5 s GLU 76 N -2.95 1.16 -0.03 -0.62 2.02 0.15 0.55 118.70 118.98 1ci5 s GLU 76 Ca 0.41 -1.51 -0.02 0.00 0.02 0.00 0.00 54.97 53.87 1ci5 s GLU 76 Cb -0.12 -0.75 0.02 0.00 0.10 0.00 0.00 34.13 33.38 1ci5 s GLU 76 CO 0.26 0.09 0.08 0.00 0.02 0.00 0.00 175.26 175.71 1ci5 s MET 77 N -3.73 0.06 0.08 1.61 0.23 0.94 0.11 119.30 118.60 1ci5 s MET 77 Ca 0.19 0.18 0.09 0.00 -1.03 0.00 0.00 55.69 55.12 1ci5 s MET 77 Cb 0.02 -0.07 -0.04 0.00 -1.53 0.00 0.00 34.83 33.22 1ci5 s MET 77 CO 0.03 -0.08 -0.23 -2.00 -2.03 0.00 0.00 175.02 170.72 1ci5 s GLU 78 N 0.50 1.75 -0.03 3.16 2.12 0.29 -1.62 118.70 124.87 1ci5 s GLU 78 Ca -0.04 -1.16 -0.29 0.00 0.36 0.00 0.00 54.97 53.84 1ci5 s GLU 78 Cb -0.05 -2.04 0.08 0.00 0.26 0.00 0.00 34.13 32.38 1ci5 s GLU 78 CO -0.02 0.49 0.74 0.45 -0.54 0.00 0.00 175.26 176.39 1ci5 s SER 79 N -1.72 -0.56 0.04 -1.70 0.15 -1.26 -0.48 113.70 108.16 1ci5 s SER 79 Ca 0.14 0.45 -0.22 0.00 0.70 0.00 0.00 55.95 57.03 1ci5 s SER 79 Cb -0.10 0.49 -0.15 0.00 -1.71 0.00 0.00 66.02 64.55 1ci5 s SER 79 CO 0.06 -0.63 1.41 1.55 1.20 0.00 0.00 173.24 176.83 1ci5 h PRO 80 N 2.63 0.21 -0.04 5.44 0.13 -1.95 -3.02 132.00 135.40 1ci5 h PRO 80 Ca -0.26 -0.08 -0.07 0.00 -0.87 0.00 0.00 66.00 64.71 1ci5 h PRO 80 Cb 1.19 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1ci5 h PRO 80 CO 0.37 0.53 -0.31 -0.91 -0.23 0.00 0.00 178.00 177.44 1ci5 h ASN 81 N -0.12 0.08 -4.20 1.44 4.21 -1.94 -3.44 115.58 111.61 1ci5 h ASN 81 Ca 0.03 -0.02 -0.54 0.00 1.21 0.00 0.00 56.30 56.98 1ci5 h ASN 81 Cb 0.45 -0.02 0.18 0.00 -1.12 0.00 0.00 38.32 37.81 1ci5 h ASN 81 CO 0.01 0.39 0.36 -0.63 -1.29 0.00 0.00 177.43 176.27 1ci5 s ILE 82 N -4.33 2.08 0.15 2.81 -1.09 -1.14 -4.93 121.20 114.74 1ci5 s ILE 82 Ca -0.04 0.04 -0.10 0.00 -2.23 0.00 0.00 60.65 58.32 1ci5 s ILE 82 Cb 0.15 -2.49 -0.04 0.00 -1.58 0.00 0.00 42.46 38.49 1ci5 s ILE 82 CO 0.73 -0.02 1.48 0.74 -1.23 0.00 0.00 174.94 176.64 1ci5 h THR 83 N -0.77 1.28 0.00 2.92 2.02 -1.85 -3.46 112.91 113.04 1ci5 h THR 83 Ca -0.47 -1.58 0.00 0.00 0.77 0.00 0.00 66.41 65.13 1ci5 h THR 83 Cb 1.30 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 1ci5 h THR 83 CO 0.47 0.53 0.00 0.47 0.37 0.00 0.00 175.52 177.35 1ci5 n ASP 84 N -4.05 0.00 -3.47 4.18 9.92 -1.26 -5.12 116.55 116.75 1ci5 n ASP 84 Ca -0.02 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.25 1ci5 n ASP 84 Cb 0.55 0.06 -0.05 0.00 -0.64 0.00 0.00 41.12 41.04 1ci5 n ASP 84 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1ci5 s SER 85 N 1.45 -0.34 0.35 -2.24 1.04 -1.26 -4.28 113.70 108.42 1ci5 s SER 85 Ca 0.00 0.51 -0.05 0.00 0.48 0.00 0.00 55.95 56.89 1ci5 s SER 85 Cb 0.00 1.28 -0.05 0.00 0.10 0.00 0.00 66.02 67.36 1ci5 s SER 85 CO 0.00 -0.07 0.63 -0.04 0.98 0.00 0.00 173.24 174.73 1ci5 s MET 86 N 1.78 3.60 -0.15 4.02 -1.94 -0.64 -4.84 119.30 121.14 1ci5 s MET 86 Ca -0.05 0.03 -0.01 0.00 -1.71 0.00 0.00 55.69 53.96 1ci5 s MET 86 Cb -0.03 -2.56 0.04 0.00 2.01 0.00 0.00 34.83 34.28 1ci5 s MET 86 CO -0.15 0.09 -0.06 0.21 -0.01 0.00 0.00 175.02 175.10 1ci5 s LYS 87 N -3.97 1.42 -0.30 2.03 2.36 -1.26 -0.04 119.74 119.98 1ci5 s LYS 87 Ca 0.45 -0.41 -0.05 0.00 -2.55 0.00 0.00 55.97 53.40 1ci5 s LYS 87 Cb -0.10 -1.84 0.02 0.00 -1.05 0.00 0.00 37.83 34.85 1ci5 s LYS 87 CO 0.34 -0.38 0.05 -0.06 1.55 0.00 0.00 175.35 176.86 1ci5 s PHE 88 N 1.67 3.17 -0.08 4.03 0.40 0.19 -2.49 117.98 124.87 1ci5 s PHE 88 Ca 0.02 -1.25 -0.30 0.00 -0.60 0.00 0.00 56.93 54.80 1ci5 s PHE 88 Cb -0.14 -2.21 -0.03 0.00 0.51 0.00 0.00 43.02 41.15 1ci5 s PHE 88 CO -0.08 -0.66 1.18 0.12 0.70 0.00 0.00 175.22 176.48 1ci5 s PHE 89 N 1.43 3.20 -0.19 0.36 2.19 0.62 -1.21 117.98 124.37 1ci5 s PHE 89 Ca 0.01 1.25 -0.08 0.00 0.33 0.00 0.00 56.93 58.43 1ci5 s PHE 89 Cb -0.18 -3.40 -0.04 0.00 -1.31 0.00 0.00 43.02 38.09 1ci5 s PHE 89 CO 0.01 -1.20 0.07 -1.17 1.83 0.00 0.00 175.22 174.77 1ci5 s LEU 90 N 2.36 3.82 -0.20 6.12 2.96 -0.89 0.16 118.68 133.01 1ci5 s LEU 90 Ca 0.54 0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 54.49 1ci5 s LEU 90 Cb -0.23 -1.98 -0.00 0.00 0.50 0.00 0.00 46.19 44.48 1ci5 s LEU 90 CO 0.20 0.14 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.98 1ci5 s TYR 91 N 0.55 2.90 -0.17 5.38 2.02 -0.76 -2.70 117.35 124.58 1ci5 s TYR 91 Ca 0.04 -1.01 -0.16 0.00 -0.37 0.00 0.00 57.07 55.57 1ci5 s TYR 91 Cb -0.13 -2.03 -0.04 0.00 -0.40 0.00 0.00 41.96 39.36 1ci5 s TYR 91 CO 0.01 -0.53 0.38 0.08 -1.57 0.00 0.00 175.55 173.91 1ci5 s VAL 92 N 1.25 5.24 0.44 0.71 1.01 -1.26 0.22 120.40 128.00 1ci5 s VAL 92 Ca 0.03 0.70 0.03 0.00 0.00 0.00 0.00 61.98 62.74 1ci5 s VAL 92 Cb -0.14 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1ci5 s VAL 92 CO -0.04 0.31 0.06 -0.83 0.00 0.00 0.00 175.10 174.61 1ci5 s GLY 93 N 0.76 2.70 -0.04 4.51 0.00 0.06 -4.90 107.32 110.40 1ci5 s GLY 93 Ca 0.19 -1.12 -0.05 0.00 0.00 0.00 0.00 44.72 43.75 1ci5 s GLY 93 CO 0.07 -2.01 0.67 0.83 0.00 0.00 0.00 173.10 172.67 1ci5 h GLU 94 N 1.65 0.28 0.00 2.90 5.08 -1.95 0.97 114.58 123.52 1ci5 h GLU 94 Ca -0.40 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 57.48 1ci5 h GLU 94 Cb 1.28 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.71 1ci5 h GLU 94 CO 0.68 1.15 0.00 0.45 -1.00 0.00 0.00 179.01 180.29