#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ci5 n SER 2 N 0.00 0.00 -3.55 -3.46 7.64 -1.26 -5.07 113.62 107.92 1ci5 n SER 2 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 1ci5 n SER 2 Cb 0.00 -0.01 -0.14 0.00 -1.01 0.00 0.00 64.21 63.05 1ci5 n SER 2 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1ci5 s GLN 3 N -0.07 0.14 -0.19 1.43 -0.44 -1.15 -5.04 119.66 114.34 1ci5 s GLN 3 Ca 0.00 0.23 -0.22 0.00 -2.50 0.00 0.00 55.36 52.88 1ci5 s GLN 3 Cb 0.00 -1.12 -0.02 0.00 -1.64 0.00 0.00 33.01 30.23 1ci5 s GLN 3 CO 0.00 -0.59 0.66 -0.65 0.50 0.00 0.00 175.29 175.22 1ci5 s GLN 4 N 2.29 4.24 0.24 1.67 -0.21 -1.26 -0.22 119.66 126.41 1ci5 s GLN 4 Ca 0.05 0.69 -0.04 0.00 0.02 0.00 0.00 55.36 56.08 1ci5 s GLN 4 Cb -0.15 -3.57 -0.05 0.00 1.00 0.00 0.00 33.01 30.24 1ci5 s GLN 4 CO -0.10 -0.24 0.49 0.42 -2.12 0.00 0.00 175.29 173.74 1ci5 s ILE 5 N 1.88 5.08 -0.25 1.08 -1.09 0.37 -4.90 121.20 123.37 1ci5 s ILE 5 Ca 0.31 -0.01 -0.05 0.00 -2.23 0.00 0.00 60.65 58.67 1ci5 s ILE 5 Cb -0.16 -3.70 -0.00 0.00 -1.58 0.00 0.00 42.46 37.02 1ci5 s ILE 5 CO 0.11 -0.20 0.01 -0.31 -1.23 0.00 0.00 174.94 173.31 1ci5 s TYR 6 N -1.94 3.05 0.38 3.97 2.02 -1.26 -1.66 117.35 121.90 1ci5 s TYR 6 Ca 0.42 -0.97 0.04 0.00 -0.37 0.00 0.00 57.07 56.19 1ci5 s TYR 6 Cb -0.11 -2.16 -0.04 0.00 -0.40 0.00 0.00 41.96 39.26 1ci5 s TYR 6 CO 0.28 -0.56 0.11 0.20 -1.57 0.00 0.00 175.55 174.02 1ci5 s GLY 7 N 1.48 2.41 -0.10 0.71 0.00 0.96 -4.91 107.32 107.87 1ci5 s GLY 7 Ca 0.04 -1.49 -0.10 0.00 0.00 0.00 0.00 44.72 43.18 1ci5 s GLY 7 CO -0.01 -1.80 0.28 -1.34 0.00 0.00 0.00 173.10 170.23 1ci5 s VAL 8 N -3.29 0.00 0.22 1.40 -7.23 -1.26 -0.79 120.40 109.46 1ci5 s VAL 8 Ca 0.28 -0.01 -0.30 0.00 -1.81 0.00 0.00 61.98 60.14 1ci5 s VAL 8 Cb 0.04 -0.39 -0.15 0.00 0.56 0.00 0.00 36.38 36.44 1ci5 s VAL 8 CO 0.15 -0.00 0.98 0.29 -0.31 0.00 0.00 175.10 176.21 1ci5 n LYS 9 N 2.91 1.00 -1.78 4.82 4.01 0.37 0.06 118.16 129.56 1ci5 n LYS 9 Ca -0.13 0.35 -0.19 0.00 -0.51 0.00 0.00 58.31 57.83 1ci5 n LYS 9 Cb 0.58 -1.71 -0.06 0.00 -0.51 0.00 0.00 35.03 33.33 1ci5 n LYS 9 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1ci5 n TYR 10 N 0.71 -0.25 -4.40 2.13 4.01 -0.96 -4.81 117.16 113.59 1ci5 n TYR 10 Ca 0.13 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.70 1ci5 n TYR 10 Cb 0.27 -3.35 -0.04 0.00 -0.31 0.00 0.00 39.34 35.91 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 -0.75 3.86 3.50 2.72 0.00 0.11 -4.73 105.19 109.91 1ci5 n GLY 11 Ca -0.20 -2.29 -0.24 0.00 0.00 0.00 0.00 46.02 43.29 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 3.72 -0.07 1.61 2.20 -1.26 -1.26 114.94 117.40 1ci5 s ASN 12 Ca 0.00 -1.03 -0.30 0.00 -0.94 0.00 0.00 52.86 50.59 1ci5 s ASN 12 Cb 0.00 -0.36 0.09 0.00 -2.00 0.00 0.00 41.25 38.97 1ci5 s ASN 12 CO 0.00 -0.02 0.77 0.68 -2.94 0.00 0.00 177.10 175.60 1ci5 s VAL 13 N -2.51 0.00 -0.02 3.54 -7.23 -0.99 -4.71 120.40 108.48 1ci5 s VAL 13 Ca 0.31 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 60.53 1ci5 s VAL 13 Cb -0.04 -1.00 -0.01 0.00 0.56 0.00 0.00 36.38 35.89 1ci5 s VAL 13 CO 0.16 0.00 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.89 1ci5 s THR 14 N -1.36 1.38 -0.49 5.32 2.01 -1.26 -0.65 115.64 120.59 1ci5 s THR 14 Ca -0.07 -0.73 -0.11 0.00 0.31 0.00 0.00 61.69 61.09 1ci5 s THR 14 Cb -0.00 -1.16 0.12 0.00 0.01 0.00 0.00 72.50 71.47 1ci5 s THR 14 CO 0.06 0.39 0.39 -0.36 -0.69 0.00 0.00 174.62 174.41 1ci5 s PHE 15 N -0.27 3.37 0.51 4.92 0.40 0.45 -4.95 117.98 122.42 1ci5 s PHE 15 Ca 0.04 -1.69 -0.22 0.00 -0.60 0.00 0.00 56.93 54.45 1ci5 s PHE 15 Cb -0.08 -3.58 -0.06 0.00 0.51 0.00 0.00 43.02 39.81 1ci5 s PHE 15 CO 0.00 -1.00 1.23 -1.01 0.70 0.00 0.00 175.22 175.14 1ci5 s HIS 16 N 1.43 2.60 -0.10 0.36 3.76 -1.26 -2.07 115.29 120.01 1ci5 s HIS 16 Ca 0.05 1.48 0.02 0.00 -0.15 0.00 0.00 55.06 56.46 1ci5 s HIS 16 Cb -0.27 -3.53 0.01 0.00 1.11 0.00 0.00 32.58 29.90 1ci5 s HIS 16 CO 0.00 -2.07 -0.16 0.08 -0.85 0.00 0.00 174.74 171.75 1ci5 s VAL 17 N -1.48 1.50 -0.85 -0.90 1.01 -1.26 -4.93 120.40 113.48 1ci5 s VAL 17 Ca 0.69 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.91 1ci5 s VAL 17 Cb -0.32 -1.35 -0.07 0.00 0.00 0.00 0.00 36.38 34.63 1ci5 s VAL 17 CO 0.38 0.44 2.02 -0.81 0.00 0.00 0.00 175.10 177.14 1ci5 n PRO 18 N 3.99 1.88 -3.52 2.72 -0.04 -1.26 -4.66 135.00 134.11 1ci5 n PRO 18 Ca -0.20 -1.51 -0.29 0.00 -0.04 0.00 0.00 63.50 61.46 1ci5 n PRO 18 Cb 0.52 -2.54 -0.12 0.00 -0.04 0.00 0.00 33.50 31.32 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 3.82 2.94 0.39 3.54 0.15 -1.26 -4.92 113.70 118.36 1ci5 s SER 19 Ca 0.42 -2.44 0.13 0.00 0.70 0.00 0.00 55.95 54.75 1ci5 s SER 19 Cb 0.11 -0.57 0.79 0.00 -1.71 0.00 0.00 66.02 64.64 1ci5 s SER 19 CO 0.00 -0.28 1.88 -0.55 1.20 0.00 0.00 173.24 175.49 1ci5 h ASN 20 N 6.73 0.03 -4.05 5.45 -1.07 -1.92 -3.40 115.58 117.35 1ci5 h ASN 20 Ca 0.07 -0.01 -0.47 0.00 0.07 0.00 0.00 56.30 55.97 1ci5 h ASN 20 Cb 0.95 -0.01 0.02 0.00 -2.07 0.00 0.00 38.32 37.21 1ci5 h ASN 20 CO 0.34 0.33 0.39 -1.10 0.07 0.00 0.00 177.43 177.45 1ci5 s GLN 21 N -4.36 3.91 -0.01 4.14 -0.21 -1.26 -4.92 119.66 116.94 1ci5 s GLN 21 Ca -0.03 1.37 -0.35 0.00 0.02 0.00 0.00 55.36 56.37 1ci5 s GLN 21 Cb 0.15 -2.18 -0.13 0.00 1.00 0.00 0.00 33.01 31.84 1ci5 s GLN 21 CO 0.72 -0.34 1.74 -2.30 -2.12 0.00 0.00 175.29 172.98 1ci5 n PRO 22 N -0.77 2.02 -3.24 2.91 -0.02 -1.26 -4.67 135.00 129.97 1ci5 n PRO 22 Ca 0.08 0.74 -0.44 0.00 -2.02 0.00 0.00 63.50 61.86 1ci5 n PRO 22 Cb 0.52 -2.53 -0.07 0.00 -0.02 0.00 0.00 33.50 31.41 1ci5 n PRO 22 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ci5 s LEU 23 N 2.76 5.25 0.12 2.45 1.43 0.30 -4.89 118.68 126.09 1ci5 s LEU 23 Ca 0.88 -1.11 0.13 0.00 -1.03 0.00 0.00 54.13 53.00 1ci5 s LEU 23 Cb -0.74 -2.34 -0.12 0.00 0.03 0.00 0.00 46.19 43.03 1ci5 s LEU 23 CO 0.48 -0.82 1.08 0.50 0.23 0.00 0.00 176.35 177.81 1ci5 h LYS 24 N 8.92 0.00 -4.03 1.70 3.64 -1.92 -3.40 116.57 121.48 1ci5 h LYS 24 Ca -0.28 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.54 1ci5 h LYS 24 Cb 1.10 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 32.53 1ci5 h LYS 24 CO 0.95 0.56 -0.78 -1.21 -2.27 0.00 0.00 179.45 176.70 1ci5 s GLU 25 N -2.82 1.24 -0.05 1.90 2.02 -1.26 -2.85 118.70 116.87 1ci5 s GLU 25 Ca -0.00 -0.68 -0.00 0.00 0.02 0.00 0.00 54.97 54.30 1ci5 s GLU 25 Cb 0.09 -2.28 0.03 0.00 0.10 0.00 0.00 34.13 32.06 1ci5 s GLU 25 CO 0.80 -0.57 -0.01 0.54 0.02 0.00 0.00 175.26 176.04 1ci5 s VAL 26 N 1.61 0.35 -0.23 2.63 0.11 -0.86 -3.98 120.40 120.04 1ci5 s VAL 26 Ca -0.03 0.07 0.02 0.00 -2.93 0.00 0.00 61.98 59.11 1ci5 s VAL 26 Cb -0.17 -0.47 0.04 0.00 -1.53 0.00 0.00 36.38 34.25 1ci5 s VAL 26 CO -0.07 0.22 -0.14 -0.22 -3.33 0.00 0.00 175.10 171.56 1ci5 s LEU 27 N 1.52 2.87 -0.13 2.54 2.96 0.22 0.11 118.68 128.77 1ci5 s LEU 27 Ca -0.02 -1.03 -0.10 0.00 -0.22 0.00 0.00 54.13 52.76 1ci5 s LEU 27 Cb -0.13 -1.53 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 1ci5 s LEU 27 CO -0.03 -0.10 0.22 0.26 -1.32 0.00 0.00 176.35 175.37 1ci5 s TRP 28 N 1.21 3.55 0.16 5.38 0.52 0.63 0.12 118.94 130.50 1ci5 s TRP 28 Ca -0.02 0.58 0.07 0.00 0.02 0.00 0.00 56.10 56.75 1ci5 s TRP 28 Cb -0.17 -2.14 -0.04 0.00 -1.15 0.00 0.00 33.47 29.97 1ci5 s TRP 28 CO -0.08 0.51 -0.15 0.15 0.02 0.00 0.00 176.95 177.39 1ci5 s LYS 29 N -0.39 1.20 -0.27 4.98 3.01 0.33 -1.32 119.74 127.28 1ci5 s LYS 29 Ca 0.15 -1.42 -0.04 0.00 -1.01 0.00 0.00 55.97 53.66 1ci5 s LYS 29 Cb -0.13 -1.10 0.09 0.00 -1.01 0.00 0.00 37.83 35.69 1ci5 s LYS 29 CO 0.04 0.20 0.13 0.21 0.51 0.00 0.00 175.35 176.44 1ci5 s LYS 30 N -3.07 0.17 6.89 1.68 2.20 0.35 -0.24 119.74 127.73 1ci5 s LYS 30 Ca 0.16 -0.47 0.00 0.00 -0.36 0.00 0.00 55.97 55.30 1ci5 s LYS 30 Cb -0.03 -1.25 0.00 0.00 -1.51 0.00 0.00 37.83 35.04 1ci5 s LYS 30 CO 0.05 -0.97 0.00 0.94 -0.36 0.00 0.00 175.35 175.01 1ci5 n GLN 31 N 5.25 0.00 -0.60 4.03 -0.06 -1.13 -1.62 117.38 123.25 1ci5 n GLN 31 Ca -0.06 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 54.92 1ci5 n GLN 31 Cb 0.43 0.00 0.20 0.00 -4.06 0.00 0.00 30.24 26.81 1ci5 n GLN 31 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 1ci5 n LYS 32 N 13.62 2.80 -4.15 3.69 0.00 -1.26 -4.88 118.16 127.98 1ci5 n LYS 32 Ca 0.00 -1.84 -0.16 0.00 0.00 0.00 0.00 58.31 56.31 1ci5 n LYS 32 Cb 0.00 -1.87 -0.12 0.00 0.00 0.00 0.00 35.03 33.04 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 -0.42 1.45 0.14 3.14 1.01 -0.64 -5.15 116.67 116.21 1ci5 s ASP 33 Ca 0.33 -0.65 -0.17 0.00 0.71 0.00 0.00 52.55 52.77 1ci5 s ASP 33 Cb 0.26 -0.02 -0.07 0.00 1.01 0.00 0.00 42.92 44.10 1ci5 s ASP 33 CO 0.08 -0.15 0.59 -0.54 0.21 0.00 0.00 175.17 175.37 1ci5 s LYS 34 N -1.97 4.09 -0.04 8.23 -0.14 -1.26 -0.49 119.74 128.15 1ci5 s LYS 34 Ca -0.02 0.63 -0.05 0.00 -1.36 0.00 0.00 55.97 55.17 1ci5 s LYS 34 Cb -0.08 -2.99 -0.02 0.00 -1.68 0.00 0.00 37.83 33.06 1ci5 s LYS 34 CO 0.01 0.50 -0.10 0.28 -0.76 0.00 0.00 175.35 175.28 1ci5 n VAL 35 N 1.00 0.50 -4.05 3.17 0.31 -0.43 -4.56 118.33 114.27 1ci5 n VAL 35 Ca -0.06 0.33 -0.10 0.00 -0.01 0.00 0.00 64.34 64.51 1ci5 n VAL 35 Cb 0.51 -1.69 -0.08 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 -2.79 0.38 -0.22 3.52 0.00 -0.90 0.10 121.76 121.85 1ci5 s ALA 36 Ca -0.08 -1.16 -0.12 0.00 0.00 0.00 0.00 51.96 50.59 1ci5 s ALA 36 Cb 0.01 0.95 0.07 0.00 0.00 0.00 0.00 23.12 24.14 1ci5 s ALA 36 CO 0.12 -0.61 0.53 -1.83 0.00 0.00 0.00 175.76 173.97 1ci5 s GLU 37 N -4.02 0.53 0.04 0.00 -1.05 -0.30 -0.27 118.70 113.63 1ci5 s GLU 37 Ca 0.22 0.96 0.07 0.00 -0.15 0.00 0.00 54.97 56.08 1ci5 s GLU 37 Cb 0.05 0.06 -0.03 0.00 -0.44 0.00 0.00 34.13 33.76 1ci5 s GLU 37 CO 0.03 -0.15 -0.19 -1.17 0.95 0.00 0.00 175.26 174.73 1ci5 s LEU 38 N 1.44 2.57 -0.29 1.83 2.96 0.31 -1.96 118.68 125.53 1ci5 s LEU 38 Ca -0.09 -0.45 -0.16 0.00 -0.22 0.00 0.00 54.13 53.21 1ci5 s LEU 38 Cb -0.07 -1.49 0.15 0.00 0.50 0.00 0.00 46.19 45.27 1ci5 s LEU 38 CO -0.15 0.25 0.98 -1.83 -1.32 0.00 0.00 176.35 174.29 1ci5 s GLU 39 N -1.43 0.38 -1.31 1.98 -1.05 -0.04 -2.04 118.70 115.19 1ci5 s GLU 39 Ca 0.14 0.64 -0.00 0.00 -0.15 0.00 0.00 54.97 55.60 1ci5 s GLU 39 Cb -0.10 0.08 -0.00 0.00 -0.44 0.00 0.00 34.13 33.66 1ci5 s GLU 39 CO 0.05 -0.08 0.69 0.09 0.95 0.00 0.00 175.26 176.96 1ci5 n ASN 40 N 3.63 -1.15 -2.06 0.83 3.02 -1.17 -0.61 115.26 117.75 1ci5 n ASN 40 Ca -0.18 -0.83 -0.20 0.00 -0.03 0.00 0.00 54.58 53.34 1ci5 n ASN 40 Cb 0.58 -4.02 -0.04 0.00 -0.61 0.00 0.00 39.78 35.69 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 -3.05 -5.50 -4.03 6.41 3.41 -1.26 -4.95 113.62 104.65 1ci5 n SER 41 Ca -0.30 0.21 -0.31 0.00 -0.26 0.00 0.00 58.87 58.20 1ci5 n SER 41 Cb 0.68 -4.70 -0.15 0.00 -0.26 0.00 0.00 64.21 59.78 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 -4.49 1.94 -0.11 4.33 2.12 0.22 -5.11 118.70 117.61 1ci5 s GLU 42 Ca 0.00 -1.40 -0.05 0.00 0.36 0.00 0.00 54.97 53.87 1ci5 s GLU 42 Cb 0.00 -2.89 -0.04 0.00 0.26 0.00 0.00 34.13 31.46 1ci5 s GLU 42 CO 0.00 -0.66 0.09 0.12 -0.54 0.00 0.00 175.26 174.27 1ci5 s PHE 43 N 1.12 3.44 -0.28 5.30 5.36 -1.26 -0.86 117.98 130.80 1ci5 s PHE 43 Ca -0.04 0.40 -0.18 0.00 -0.96 0.00 0.00 56.93 56.15 1ci5 s PHE 43 Cb -0.20 -1.91 0.08 0.00 -0.34 0.00 0.00 43.02 40.66 1ci5 s PHE 43 CO -0.06 0.61 0.70 0.50 -1.46 0.00 0.00 175.22 175.51 1ci5 s ARG 44 N -0.88 0.74 0.53 10.12 6.06 -0.83 -5.01 118.95 129.68 1ci5 s ARG 44 Ca 0.14 1.18 0.01 0.00 -2.50 0.00 0.00 55.73 54.56 1ci5 s ARG 44 Cb -0.12 0.20 0.03 0.00 0.06 0.00 0.00 34.95 35.12 1ci5 s ARG 44 CO 0.03 -0.14 0.76 0.00 -2.50 0.00 0.00 175.30 173.45 1ci5 s ALA 45 N 1.36 3.91 0.24 6.12 0.00 -1.26 -1.15 121.76 130.98 1ci5 s ALA 45 Ca -0.08 -1.31 0.08 0.00 0.00 0.00 0.00 51.96 50.65 1ci5 s ALA 45 Cb -0.05 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.97 1ci5 s ALA 45 CO -0.15 -0.69 0.10 -0.06 0.00 0.00 0.00 175.76 174.95 1ci5 s PHE 46 N -2.72 2.93 0.00 0.00 0.08 0.29 -4.67 117.98 113.89 1ci5 s PHE 46 Ca 0.56 -0.15 0.00 0.00 0.12 0.00 0.00 56.93 57.46 1ci5 s PHE 46 Cb -0.10 -1.33 0.00 0.00 -0.57 0.00 0.00 43.02 41.02 1ci5 s PHE 46 CO 0.38 0.56 0.00 0.43 -0.10 0.00 0.00 175.22 176.49 1ci5 n SER 47 N -0.91 0.00 -1.65 1.36 7.64 -1.26 -1.81 113.62 116.99 1ci5 n SER 47 Ca -0.08 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.71 1ci5 n SER 47 Cb 0.58 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.92 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 -2.20 3.56 0.02 6.43 3.41 -1.26 -4.10 113.62 119.49 1ci5 n SER 48 Ca 0.00 -2.87 -0.12 0.00 -0.26 0.00 0.00 58.87 55.62 1ci5 n SER 48 Cb 0.00 -0.68 -0.14 0.00 -0.26 0.00 0.00 64.21 63.13 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 1.05 0.18 -0.72 7.33 0.04 -1.70 -3.33 116.94 119.79 1ci5 h PHE 49 Ca 0.29 -0.13 0.21 0.00 2.80 0.00 0.00 57.97 61.14 1ci5 h PHE 49 Cb 1.96 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 40.07 1ci5 h PHE 49 CO 0.89 1.19 0.52 1.57 -0.60 0.00 0.00 178.31 181.88 1ci5 h LYS 50 N 0.03 0.00 -0.45 1.51 5.09 -1.71 0.82 116.57 121.86 1ci5 h LYS 50 Ca -0.23 -0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.51 1ci5 h LYS 50 Cb 1.97 -0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.30 1ci5 h LYS 50 CO 0.12 0.00 0.00 -1.71 -2.09 0.00 0.00 179.45 175.77 1ci5 n ASN 51 N -4.32 2.31 -0.87 7.07 5.15 -1.25 -3.94 115.26 119.42 1ci5 n ASN 51 Ca 0.14 -2.07 -0.01 0.00 -0.60 0.00 0.00 54.58 52.04 1ci5 n ASN 51 Cb 0.79 -0.31 -0.02 0.00 -0.53 0.00 0.00 39.78 39.71 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 0.62 0.00 -4.09 1.20 1.74 0.26 -5.03 116.66 111.37 1ci5 n ARG 52 Ca 0.14 -0.93 -0.13 0.00 -0.77 0.00 0.00 57.85 56.16 1ci5 n ARG 52 Cb 0.39 0.06 -0.11 0.00 -1.02 0.00 0.00 32.46 31.78 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 0.58 -0.40 1.55 -7.23 0.36 0.11 120.40 115.37 1ci5 s VAL 53 Ca 0.07 -1.27 0.03 0.00 -1.81 0.00 0.00 61.98 59.01 1ci5 s VAL 53 Cb 0.08 -0.85 0.16 0.00 0.56 0.00 0.00 36.38 36.34 1ci5 s VAL 53 CO -0.04 -0.49 0.34 -0.47 -0.31 0.00 0.00 175.10 174.13 1ci5 s TYR 54 N -1.87 0.68 0.25 2.82 5.04 0.34 -4.90 117.35 119.72 1ci5 s TYR 54 Ca -0.05 -1.89 -0.29 0.00 -2.44 0.00 0.00 57.07 52.39 1ci5 s TYR 54 Cb -0.07 -0.78 -0.09 0.00 0.35 0.00 0.00 41.96 41.37 1ci5 s TYR 54 CO -0.01 -0.87 0.94 -1.17 -1.34 0.00 0.00 175.55 173.10 1ci5 s LEU 55 N 0.50 4.60 0.13 6.97 2.96 -1.26 -1.41 118.68 131.17 1ci5 s LEU 55 Ca 0.27 1.93 -0.25 0.00 -0.22 0.00 0.00 54.13 55.87 1ci5 s LEU 55 Cb -0.05 -3.67 -0.07 0.00 0.50 0.00 0.00 46.19 42.90 1ci5 s LEU 55 CO -0.12 0.13 0.77 -0.62 -1.32 0.00 0.00 176.35 175.19 1ci5 s ASP 56 N -1.24 7.34 -0.53 3.68 2.15 0.13 -4.96 116.67 123.24 1ci5 s ASP 56 Ca 0.42 1.59 -0.02 0.00 0.43 0.00 0.00 52.55 54.97 1ci5 s ASP 56 Cb -0.25 -2.49 0.28 0.00 -0.30 0.00 0.00 42.92 40.16 1ci5 s ASP 56 CO 0.31 0.16 2.17 0.35 -0.17 0.00 0.00 175.17 177.99 1ci5 n THR 57 N 1.90 3.27 0.00 1.71 -2.24 -1.26 -3.38 114.28 114.28 1ci5 n THR 57 Ca -0.05 -2.68 0.00 0.00 -2.27 0.00 0.00 64.05 59.05 1ci5 n THR 57 Cb 0.49 -1.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.41 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 -0.09 0.00 0.02 -0.78 3.00 -1.26 -4.76 118.16 114.29 1ci5 n LYS 58 Ca 0.48 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.91 1ci5 n LYS 58 Cb 0.55 0.00 0.32 0.00 0.00 0.00 0.00 35.03 35.91 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 -1.88 0.44 0.00 3.14 3.41 -1.26 0.11 113.62 117.58 1ci5 n SER 59 Ca 0.00 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 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 1.46 1.69 3.70 5.00 0.00 -1.22 -4.54 105.19 111.29 1ci5 n GLY 60 Ca 0.05 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.51 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 2.42 -4.82 1.61 3.41 -1.26 -4.44 113.62 110.54 1ci5 n SER 61 Ca 0.00 1.07 -0.37 0.00 -0.26 0.00 0.00 58.87 59.31 1ci5 n SER 61 Cb 0.00 -1.16 -0.06 0.00 -0.26 0.00 0.00 64.21 62.73 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 3.36 4.40 -0.29 1.04 2.96 -0.88 -0.69 118.68 128.58 1ci5 s LEU 62 Ca 0.97 0.73 0.02 0.00 -0.22 0.00 0.00 54.13 55.63 1ci5 s LEU 62 Cb -1.03 -2.40 0.08 0.00 0.50 0.00 0.00 46.19 43.33 1ci5 s LEU 62 CO 0.63 0.30 0.01 -0.89 -1.32 0.00 0.00 176.35 175.08 1ci5 s THR 63 N -0.72 1.65 0.50 3.68 2.01 -0.50 0.17 115.64 122.42 1ci5 s THR 63 Ca 0.20 -1.63 -0.15 0.00 0.31 0.00 0.00 61.69 60.42 1ci5 s THR 63 Cb -0.15 -2.07 -0.07 0.00 0.01 0.00 0.00 72.50 70.22 1ci5 s THR 63 CO 0.09 -0.38 0.94 -0.63 -0.69 0.00 0.00 174.62 173.95 1ci5 s ILE 64 N 1.28 4.59 0.06 1.82 1.01 0.17 0.13 121.20 130.25 1ci5 s ILE 64 Ca 0.03 1.08 0.06 0.00 0.00 0.00 0.00 60.65 61.82 1ci5 s ILE 64 Cb -0.19 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 1ci5 s ILE 64 CO -0.11 -0.67 -0.15 -0.31 0.00 0.00 0.00 174.94 173.70 1ci5 s TYR 65 N -2.59 1.34 -0.35 3.97 1.51 0.31 -2.34 117.35 119.20 1ci5 s TYR 65 Ca 0.57 -0.40 -0.15 0.00 -1.01 0.00 0.00 57.07 56.08 1ci5 s TYR 65 Cb -0.10 -0.77 0.02 0.00 -0.11 0.00 0.00 41.96 41.00 1ci5 s TYR 65 CO 0.32 0.07 0.39 0.09 -1.11 0.00 0.00 175.55 175.30 1ci5 n ASN 66 N 1.61 -7.24 -4.90 2.29 3.02 -0.39 -4.75 115.26 104.90 1ci5 n ASN 66 Ca -0.19 0.58 -0.28 0.00 -0.03 0.00 0.00 54.58 54.67 1ci5 n ASN 66 Cb 0.54 -4.02 0.01 0.00 -0.61 0.00 0.00 39.78 35.70 1ci5 n ASN 66 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ci5 s LEU 67 N -2.12 3.47 0.35 3.41 1.43 -1.21 -4.75 118.68 119.27 1ci5 s LEU 67 Ca 0.19 0.95 0.07 0.00 -1.03 0.00 0.00 54.13 54.31 1ci5 s LEU 67 Cb -0.04 -3.88 -0.03 0.00 0.03 0.00 0.00 46.19 42.27 1ci5 s LEU 67 CO 0.69 -0.74 0.27 0.42 0.23 0.00 0.00 176.35 177.23 1ci5 s THR 68 N -2.87 0.06 -0.04 5.49 -4.23 -1.26 -2.28 115.64 110.52 1ci5 s THR 68 Ca 0.50 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.32 1ci5 s THR 68 Cb -0.10 -2.47 0.34 0.00 1.34 0.00 0.00 72.50 71.60 1ci5 s THR 68 CO 0.46 0.00 1.92 0.77 -0.54 0.00 0.00 174.62 177.23 1ci5 h SER 69 N 2.06 0.00 1.26 3.99 4.64 -1.98 -1.64 113.55 121.88 1ci5 h SER 69 Ca -0.25 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.01 1ci5 h SER 69 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 1ci5 h SER 69 CO 0.37 0.00 -0.77 -1.28 -0.87 0.00 0.00 176.83 174.29 1ci5 h SER 70 N 0.00 0.00 0.85 4.97 0.87 -2.01 -3.26 113.55 114.98 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 0.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1ci5 h SER 70 CO 0.00 0.23 0.00 0.44 -0.53 0.00 0.00 176.83 176.97 1ci5 h ASP 71 N 0.00 0.00 -0.16 6.23 5.19 -1.68 -3.37 116.42 122.64 1ci5 h ASP 71 Ca -0.04 0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 55.75 1ci5 h ASP 71 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 1ci5 h ASP 71 CO 0.02 0.00 2.31 1.21 -3.12 0.00 0.00 179.24 179.66 1ci5 n GLU 72 N -2.80 2.02 -4.14 3.56 2.13 -1.23 -4.71 120.64 115.46 1ci5 n GLU 72 Ca 0.01 -2.27 -0.10 0.00 0.66 0.00 0.00 57.16 55.46 1ci5 n GLU 72 Cb 0.26 -3.19 -0.10 0.00 0.27 0.00 0.00 31.44 28.68 1ci5 n GLU 72 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1ci5 s ASP 73 N 4.71 0.23 -0.18 4.31 1.11 -1.11 -4.91 116.67 120.84 1ci5 s ASP 73 Ca 0.56 -1.22 -0.29 0.00 0.18 0.00 0.00 52.55 51.79 1ci5 s ASP 73 Cb 0.11 0.34 0.00 0.00 1.07 0.00 0.00 42.92 44.44 1ci5 s ASP 73 CO 0.07 -0.78 1.05 -1.83 1.18 0.00 0.00 175.17 174.85 1ci5 s GLU 74 N -4.07 4.31 0.16 8.23 -1.05 -1.26 -1.82 118.70 123.20 1ci5 s GLU 74 Ca 0.27 1.40 -0.00 0.00 -0.15 0.00 0.00 54.97 56.49 1ci5 s GLU 74 Cb 0.07 -3.62 -0.04 0.00 -0.44 0.00 0.00 34.13 30.10 1ci5 s GLU 74 CO 0.04 -0.54 0.33 0.71 0.95 0.00 0.00 175.26 176.76 1ci5 s TYR 75 N 2.85 3.49 -0.06 4.83 1.51 0.08 -2.85 117.35 127.20 1ci5 s TYR 75 Ca 0.46 0.31 -0.02 0.00 -1.01 0.00 0.00 57.07 56.80 1ci5 s TYR 75 Cb -0.17 -1.82 0.04 0.00 -0.11 0.00 0.00 41.96 39.91 1ci5 s TYR 75 CO 0.11 0.45 0.12 -2.00 -1.11 0.00 0.00 175.55 173.12 1ci5 s GLU 76 N -3.07 0.03 -0.02 -0.62 2.12 0.67 -1.10 118.70 116.70 1ci5 s GLU 76 Ca 0.37 0.42 0.01 0.00 0.36 0.00 0.00 54.97 56.13 1ci5 s GLU 76 Cb -0.11 -0.27 -0.03 0.00 0.26 0.00 0.00 34.13 33.97 1ci5 s GLU 76 CO 0.28 -0.24 -0.03 1.41 -0.54 0.00 0.00 175.26 176.14 1ci5 s MET 77 N 1.70 2.75 -0.16 4.30 -2.45 -0.50 0.12 119.30 125.07 1ci5 s MET 77 Ca -0.03 -0.60 0.01 0.00 -1.25 0.00 0.00 55.69 53.82 1ci5 s MET 77 Cb -0.12 -2.63 0.02 0.00 1.25 0.00 0.00 34.83 33.35 1ci5 s MET 77 CO -0.05 0.64 -0.16 -1.21 1.05 0.00 0.00 175.02 175.29 1ci5 s GLU 78 N -1.29 2.47 -0.04 4.11 2.02 0.33 -2.23 118.70 124.07 1ci5 s GLU 78 Ca 0.17 -0.63 -0.00 0.00 0.02 0.00 0.00 54.97 54.52 1ci5 s GLU 78 Cb -0.11 -2.23 0.03 0.00 0.10 0.00 0.00 34.13 31.91 1ci5 s GLU 78 CO 0.07 -0.23 -0.01 0.45 0.02 0.00 0.00 175.26 175.56 1ci5 s SER 79 N 1.44 0.92 0.38 -0.19 0.15 -1.26 -0.61 113.70 114.53 1ci5 s SER 79 Ca 0.05 -0.06 0.11 0.00 0.70 0.00 0.00 55.95 56.75 1ci5 s SER 79 Cb -0.13 -0.33 0.89 0.00 -1.71 0.00 0.00 66.02 64.74 1ci5 s SER 79 CO -0.11 -0.12 1.91 -0.65 1.20 0.00 0.00 173.24 175.46 1ci5 h PRO 80 N 7.60 0.58 0.00 5.44 0.11 -1.92 0.31 132.00 144.11 1ci5 h PRO 80 Ca -0.33 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.56 1ci5 h PRO 80 Cb 1.14 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1ci5 h PRO 80 CO 0.39 0.38 -0.84 -0.91 -0.21 0.00 0.00 178.00 176.82 1ci5 h ASN 81 N 0.60 0.13 -4.05 -2.05 4.21 -1.96 -3.46 115.58 109.00 1ci5 h ASN 81 Ca 0.39 -0.10 -0.53 0.00 1.21 0.00 0.00 56.30 57.27 1ci5 h ASN 81 Cb 0.68 -0.04 0.19 0.00 -1.12 0.00 0.00 38.32 38.04 1ci5 h ASN 81 CO -0.15 0.90 0.13 -0.38 -1.29 0.00 0.00 177.43 176.64 1ci5 n ILE 82 N -3.62 1.10 -0.19 2.81 2.08 0.10 -4.91 119.36 116.73 1ci5 n ILE 82 Ca -0.02 -0.15 -0.05 0.00 0.56 0.00 0.00 62.75 63.09 1ci5 n ILE 82 Cb 0.79 -1.03 0.05 0.00 -0.75 0.00 0.00 39.64 38.70 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 -1.28 1.06 0.00 1.39 2.02 -1.88 -3.46 112.91 110.76 1ci5 h THR 83 Ca -0.45 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1ci5 h THR 83 Cb 1.29 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1ci5 h THR 83 CO 0.43 0.12 0.00 0.47 0.37 0.00 0.00 175.52 176.91 1ci5 n ASP 84 N -4.76 0.00 -3.64 4.18 8.00 -1.26 -5.14 116.55 113.93 1ci5 n ASP 84 Ca 0.05 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.47 1ci5 n ASP 84 Cb 0.08 0.06 -0.07 0.00 -0.02 0.00 0.00 41.12 41.18 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 1.33 -0.50 0.22 -2.24 1.04 -1.26 -4.42 113.70 107.87 1ci5 s SER 85 Ca 0.00 0.91 0.06 0.00 0.48 0.00 0.00 55.95 57.40 1ci5 s SER 85 Cb 0.00 1.01 -0.03 0.00 0.10 0.00 0.00 66.02 67.10 1ci5 s SER 85 CO 0.00 -0.15 0.26 0.00 0.98 0.00 0.00 173.24 174.32 1ci5 s MET 86 N 0.58 3.16 -0.29 4.02 0.23 -0.95 -4.96 119.30 121.10 1ci5 s MET 86 Ca -0.01 -0.87 -0.03 0.00 -1.03 0.00 0.00 55.69 53.75 1ci5 s MET 86 Cb -0.05 -2.74 0.11 0.00 -1.53 0.00 0.00 34.83 30.62 1ci5 s MET 86 CO -0.09 0.44 0.15 0.21 -2.03 0.00 0.00 175.02 173.70 1ci5 s LYS 87 N -3.72 0.22 -0.29 3.16 2.36 -1.26 -1.40 119.74 118.82 1ci5 s LYS 87 Ca 0.33 -0.54 -0.10 0.00 -2.55 0.00 0.00 55.97 53.12 1ci5 s LYS 87 Cb -0.09 -1.12 -0.03 0.00 -1.05 0.00 0.00 37.83 35.55 1ci5 s LYS 87 CO 0.27 -1.03 0.15 -0.06 1.55 0.00 0.00 175.35 176.22 1ci5 s PHE 88 N 2.07 3.17 -0.39 4.03 0.40 -0.26 -2.92 117.98 124.07 1ci5 s PHE 88 Ca 0.10 -0.30 -0.25 0.00 -0.60 0.00 0.00 56.93 55.87 1ci5 s PHE 88 Cb -0.16 -2.34 0.02 0.00 0.51 0.00 0.00 43.02 41.05 1ci5 s PHE 88 CO -0.34 -0.34 0.90 0.12 0.70 0.00 0.00 175.22 176.26 1ci5 s PHE 89 N 1.66 3.04 0.07 0.36 2.19 0.69 -0.74 117.98 125.26 1ci5 s PHE 89 Ca 0.06 0.61 -0.24 0.00 0.33 0.00 0.00 56.93 57.69 1ci5 s PHE 89 Cb -0.16 -3.69 -0.06 0.00 -1.31 0.00 0.00 43.02 37.80 1ci5 s PHE 89 CO 0.07 -0.89 0.73 -1.17 1.83 0.00 0.00 175.22 175.79 1ci5 s LEU 90 N 3.48 4.49 -0.14 6.12 2.96 -0.75 0.14 118.68 134.97 1ci5 s LEU 90 Ca 0.36 1.44 0.02 0.00 -0.22 0.00 0.00 54.13 55.73 1ci5 s LEU 90 Cb -0.12 -3.17 0.01 0.00 0.50 0.00 0.00 46.19 43.42 1ci5 s LEU 90 CO 0.20 0.10 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.83 1ci5 s TYR 91 N -0.44 2.48 -0.18 5.38 2.02 -0.67 -2.74 117.35 123.21 1ci5 s TYR 91 Ca 0.36 -1.31 -0.15 0.00 -0.37 0.00 0.00 57.07 55.60 1ci5 s TYR 91 Cb -0.21 -1.73 -0.04 0.00 -0.40 0.00 0.00 41.96 39.58 1ci5 s TYR 91 CO 0.23 -0.63 0.37 0.08 -1.57 0.00 0.00 175.55 174.02 1ci5 s VAL 92 N 1.04 5.24 0.43 0.71 1.01 -1.26 -0.03 120.40 127.54 1ci5 s VAL 92 Ca -0.03 0.68 0.03 0.00 0.00 0.00 0.00 61.98 62.67 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 -0.05 0.31 0.05 -0.83 0.00 0.00 0.00 175.10 174.58 1ci5 s GLY 93 N 0.79 2.65 -0.08 4.51 0.00 0.03 -4.91 107.32 110.31 1ci5 s GLY 93 Ca 0.19 -1.26 -0.06 0.00 0.00 0.00 0.00 44.72 43.60 1ci5 s GLY 93 CO 0.07 -2.01 0.51 0.83 0.00 0.00 0.00 173.10 172.50 1ci5 h GLU 94 N 1.68 0.27 0.00 2.90 5.08 -1.95 0.11 114.58 122.68 1ci5 h GLU 94 Ca -0.41 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 57.49 1ci5 h GLU 94 Cb 1.28 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.70 1ci5 h GLU 94 CO 0.70 1.16 0.00 -1.13 -1.00 0.00 0.00 179.01 178.74