#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c16 s GLN 2 N 0.00 0.55 -0.10 9.51 -0.21 -1.26 -4.71 119.66 123.44 1c16 s GLN 2 Ca 0.00 -0.91 -0.04 0.00 0.02 0.00 0.00 55.36 54.43 1c16 s GLN 2 Cb 0.00 -0.09 0.05 0.00 1.00 0.00 0.00 33.01 33.97 1c16 s GLN 2 CO 0.00 -0.02 0.20 1.03 -2.12 0.00 0.00 175.29 174.39 1c16 s ARG 3 N -2.38 0.10 0.44 2.91 0.52 -1.26 -4.92 118.95 114.36 1c16 s ARG 3 Ca -0.04 0.58 -0.24 0.00 -0.52 0.00 0.00 55.73 55.51 1c16 s ARG 3 Cb -0.04 -0.16 -0.08 0.00 0.52 0.00 0.00 34.95 35.19 1c16 s ARG 3 CO -0.03 -0.25 1.15 -0.08 0.02 0.00 0.00 175.30 176.11 1c16 s THR 4 N 1.97 3.19 0.45 0.02 -1.32 -1.26 -1.52 115.64 117.17 1c16 s THR 4 Ca -0.02 0.93 -0.22 0.00 -1.21 0.00 0.00 61.69 61.17 1c16 s THR 4 Cb -0.12 -3.48 -0.09 0.00 -1.51 0.00 0.00 72.50 67.30 1c16 s THR 4 CO -0.07 0.02 1.04 -2.16 -2.21 0.00 0.00 174.62 171.24 1c16 s PRO 5 N -2.57 3.95 -0.14 7.08 0.04 -1.26 -4.20 135.00 137.91 1c16 s PRO 5 Ca 0.61 1.43 -0.07 0.00 0.04 0.00 0.00 61.00 63.01 1c16 s PRO 5 Cb -0.28 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.93 1c16 s PRO 5 CO 0.35 -0.31 0.10 0.15 0.04 0.00 0.00 177.00 177.33 1c16 s LYS 6 N -2.92 3.58 0.15 4.56 1.02 -0.60 -4.94 119.74 120.60 1c16 s LYS 6 Ca 0.63 -0.22 0.10 0.00 0.02 0.00 0.00 55.97 56.50 1c16 s LYS 6 Cb -0.19 -3.17 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 1c16 s LYS 6 CO 0.23 0.61 -0.20 0.42 -0.92 0.00 0.00 175.35 175.49 1c16 s ILE 7 N -0.55 2.66 -0.19 2.17 1.01 -1.26 -2.37 121.20 122.67 1c16 s ILE 7 Ca 0.12 -1.73 -0.09 0.00 0.00 0.00 0.00 60.65 58.95 1c16 s ILE 7 Cb -0.12 -2.25 0.07 0.00 0.01 0.00 0.00 42.46 40.18 1c16 s ILE 7 CO 0.02 -0.00 0.44 -1.10 0.00 0.00 0.00 174.94 174.30 1c16 s GLN 8 N -2.40 0.40 -0.11 2.79 -0.21 -0.83 -4.98 119.66 114.33 1c16 s GLN 8 Ca 0.19 0.91 0.02 0.00 0.02 0.00 0.00 55.36 56.50 1c16 s GLN 8 Cb -0.09 0.11 -0.01 0.00 1.00 0.00 0.00 33.01 34.02 1c16 s GLN 8 CO 0.10 -0.19 -0.18 0.08 -2.12 0.00 0.00 175.29 172.99 1c16 s VAL 9 N 1.81 2.66 0.20 1.09 1.01 -1.26 -0.20 120.40 125.71 1c16 s VAL 9 Ca -0.07 -0.82 -0.23 0.00 0.00 0.00 0.00 61.98 60.86 1c16 s VAL 9 Cb -0.09 -2.07 0.06 0.00 0.00 0.00 0.00 36.38 34.28 1c16 s VAL 9 CO -0.13 0.55 0.93 -0.72 0.00 0.00 0.00 175.10 175.72 1c16 s TYR 10 N 0.19 -0.07 0.02 5.22 -0.85 -0.24 -4.63 117.35 116.99 1c16 s TYR 10 Ca -0.10 -0.31 0.00 0.00 -0.52 0.00 0.00 57.07 56.13 1c16 s TYR 10 Cb -0.16 0.68 -0.04 0.00 0.38 0.00 0.00 41.96 42.83 1c16 s TYR 10 CO 0.06 -0.97 0.10 -1.54 -1.52 0.00 0.00 175.55 171.68 1c16 s SER 11 N -3.05 5.78 0.11 -0.18 1.04 -1.26 0.50 113.70 116.64 1c16 s SER 11 Ca 0.14 0.14 -0.28 0.00 0.48 0.00 0.00 55.95 56.43 1c16 s SER 11 Cb -0.03 -1.66 -0.09 0.00 0.10 0.00 0.00 66.02 64.35 1c16 s SER 11 CO 0.04 0.23 1.62 -0.09 0.98 0.00 0.00 173.24 176.03 1c16 h ARG 12 N 3.75 -0.51 -6.11 4.02 2.43 -1.52 -3.43 114.38 113.00 1c16 h ARG 12 Ca -0.48 0.03 -0.56 0.00 -0.81 0.00 0.00 59.98 58.16 1c16 h ARG 12 Cb 1.18 0.12 -0.09 0.00 -0.42 0.00 0.00 29.97 30.75 1c16 h ARG 12 CO 0.65 -0.34 -0.60 -1.01 -1.51 0.00 0.00 179.97 177.16 1c16 s HIS 13 N -6.03 2.65 0.01 2.20 3.76 -1.26 -5.04 115.29 111.58 1c16 s HIS 13 Ca -0.16 -0.34 -0.37 0.00 -0.15 0.00 0.00 55.06 54.04 1c16 s HIS 13 Cb 0.08 -1.43 -0.16 0.00 1.11 0.00 0.00 32.58 32.18 1c16 s HIS 13 CO 0.65 0.48 1.49 -2.30 -0.85 0.00 0.00 174.74 174.21 1c16 n PRO 14 N -1.00 1.34 -1.68 8.40 -0.02 -1.26 -4.83 135.00 135.95 1c16 n PRO 14 Ca -0.05 0.48 -0.45 0.00 -2.02 0.00 0.00 63.50 61.47 1c16 n PRO 14 Cb 0.61 -2.16 -0.04 0.00 -0.02 0.00 0.00 33.50 31.89 1c16 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1c16 n ALA 15 N 3.49 1.54 -3.36 3.55 0.00 -1.26 -4.98 120.51 119.50 1c16 n ALA 15 Ca 0.20 0.31 -0.10 0.00 0.00 0.00 0.00 53.44 53.86 1c16 n ALA 15 Cb 0.20 -2.53 -0.08 0.00 0.00 0.00 0.00 19.45 17.03 1c16 n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1c16 s GLU 16 N 3.06 0.34 0.48 0.00 2.12 -1.26 -5.15 118.70 118.29 1c16 s GLU 16 Ca 0.86 0.46 -0.20 0.00 0.36 0.00 0.00 54.97 56.45 1c16 s GLU 16 Cb -0.58 -0.53 -0.12 0.00 0.26 0.00 0.00 34.13 33.17 1c16 s GLU 16 CO 0.43 -0.68 0.46 0.09 -0.54 0.00 0.00 175.26 175.01 1c16 n ASN 17 N 5.36 -1.26 0.00 -1.70 3.02 -1.26 -2.29 115.26 117.13 1c16 n ASN 17 Ca -0.03 0.82 0.00 0.00 -0.03 0.00 0.00 54.58 55.34 1c16 n ASN 17 Cb 0.50 -1.10 0.00 0.00 -0.61 0.00 0.00 39.78 38.57 1c16 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1c16 n GLY 18 N 1.87 1.98 3.68 7.41 0.00 -0.80 -4.97 105.19 114.36 1c16 n GLY 18 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1c16 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c16 s LYS 19 N 0.00 3.19 0.58 1.61 1.02 -0.97 -5.03 119.74 120.14 1c16 s LYS 19 Ca 0.00 -0.38 -0.20 0.00 0.02 0.00 0.00 55.97 55.41 1c16 s LYS 19 Cb 0.00 -2.89 -0.05 0.00 -0.52 0.00 0.00 37.83 34.38 1c16 s LYS 19 CO 0.00 0.63 1.16 0.45 -0.92 0.00 0.00 175.35 176.67 1c16 n SER 20 N 2.38 1.69 -0.32 2.83 2.88 -1.26 -4.41 113.62 117.41 1c16 n SER 20 Ca -0.18 0.89 0.00 0.00 -1.33 0.00 0.00 58.87 58.24 1c16 n SER 20 Cb 0.54 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 1c16 n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1c16 n ASN 21 N -0.94 0.00 -3.75 -3.46 2.85 0.17 -4.97 115.26 105.16 1c16 n ASN 21 Ca 0.13 -0.32 -0.14 0.00 -0.11 0.00 0.00 54.58 54.14 1c16 n ASN 21 Cb 0.46 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.33 1c16 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1c16 s PHE 22 N -4.83 -0.15 -0.18 1.20 0.40 -1.26 -1.52 117.98 111.64 1c16 s PHE 22 Ca 0.00 0.46 -0.16 0.00 -0.60 0.00 0.00 56.93 56.63 1c16 s PHE 22 Cb 0.00 -0.09 -0.04 0.00 0.51 0.00 0.00 43.02 43.40 1c16 s PHE 22 CO 0.00 -0.16 0.40 -1.17 0.70 0.00 0.00 175.22 175.00 1c16 s LEU 23 N 1.12 4.20 -0.05 -0.37 2.96 0.40 -1.18 118.68 125.77 1c16 s LEU 23 Ca -0.09 0.59 0.05 0.00 -0.22 0.00 0.00 54.13 54.46 1c16 s LEU 23 Cb -0.11 -2.54 -0.02 0.00 0.50 0.00 0.00 46.19 44.02 1c16 s LEU 23 CO -0.06 -0.03 -0.19 0.20 -1.32 0.00 0.00 176.35 174.95 1c16 s ASN 24 N 0.85 3.65 -0.11 3.68 0.02 0.18 -1.75 114.94 121.46 1c16 s ASN 24 Ca 0.20 -0.31 0.01 0.00 -1.02 0.00 0.00 52.86 51.74 1c16 s ASN 24 Cb -0.15 -0.75 0.02 0.00 0.02 0.00 0.00 41.25 40.39 1c16 s ASN 24 CO 0.08 0.32 -0.13 0.00 0.02 0.00 0.00 177.10 177.38 1c16 s TYR 26 N 1.23 2.78 -0.11 0.00 5.04 0.72 -0.24 117.35 126.77 1c16 s TYR 26 Ca -0.02 -1.60 -0.00 0.00 -2.44 0.00 0.00 57.07 53.01 1c16 s TYR 26 Cb -0.14 -1.92 -0.02 0.00 0.35 0.00 0.00 41.96 40.23 1c16 s TYR 26 CO -0.05 -0.79 -0.10 0.08 -1.34 0.00 0.00 175.55 173.36 1c16 s VAL 27 N 1.26 3.40 0.33 3.14 1.01 -0.44 -1.96 120.40 127.15 1c16 s VAL 27 Ca 0.04 -0.56 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 1c16 s VAL 27 Cb -0.13 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.85 1c16 s VAL 27 CO -0.12 0.55 0.61 -0.94 0.00 0.00 0.00 175.10 175.20 1c16 s SER 28 N -0.12 0.28 0.00 3.32 1.04 -1.00 0.08 113.70 117.29 1c16 s SER 28 Ca 0.00 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.26 1c16 s SER 28 Cb -0.13 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1c16 s SER 28 CO 0.03 -1.41 0.00 0.61 0.98 0.00 0.00 173.24 173.45 1c16 n GLY 29 N -0.51 0.00 3.92 7.32 0.00 -0.29 -1.55 105.19 114.08 1c16 n GLY 29 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 1c16 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1c16 s PHE 30 N -0.92 3.49 0.00 1.61 -0.12 -1.24 -4.56 117.98 116.24 1c16 s PHE 30 Ca 0.00 0.35 0.00 0.00 -0.05 0.00 0.00 56.93 57.23 1c16 s PHE 30 Cb 0.00 -1.84 0.00 0.00 -0.63 0.00 0.00 43.02 40.55 1c16 s PHE 30 CO 0.00 0.49 0.00 1.58 -0.05 0.00 0.00 175.22 177.24 1c16 n HIS 31 N -0.08 0.00 -0.59 3.49 -0.00 -0.58 -0.79 115.22 116.67 1c16 n HIS 31 Ca -0.04 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.42 1c16 n HIS 31 Cb 0.52 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.46 1c16 n HIS 31 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1c16 n PRO 32 N 0.00 0.00 -0.38 1.57 -0.02 -1.26 -4.58 135.00 130.32 1c16 n PRO 32 Ca 0.00 0.00 0.31 0.00 -2.02 0.00 0.00 63.50 61.79 1c16 n PRO 32 Cb 0.00 -0.68 0.58 0.00 -0.02 0.00 0.00 33.50 33.38 1c16 n PRO 32 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1c16 h SER 33 N 4.30 0.35 -2.24 2.55 4.64 -2.00 -3.40 113.55 117.74 1c16 h SER 33 Ca -0.04 0.17 -0.57 0.00 -0.47 0.00 0.00 61.79 60.87 1c16 h SER 33 Cb 0.64 0.14 0.03 0.00 -0.31 0.00 0.00 62.40 62.90 1c16 h SER 33 CO 0.52 -0.19 1.09 -0.67 -0.87 0.00 0.00 176.83 176.71 1c16 n ASP 34 N -4.88 3.70 -3.60 4.97 2.03 -1.26 -4.96 116.55 112.55 1c16 n ASP 34 Ca 0.35 0.98 -0.16 0.00 0.52 0.00 0.00 54.79 56.47 1c16 n ASP 34 Cb 1.24 -1.45 -0.07 0.00 -0.72 0.00 0.00 41.12 40.12 1c16 n ASP 34 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1c16 s ILE 35 N 3.41 0.02 -0.18 5.18 2.07 -1.26 -4.67 121.20 125.76 1c16 s ILE 35 Ca 0.88 -0.14 -0.00 0.00 -1.41 0.00 0.00 60.65 59.98 1c16 s ILE 35 Cb -0.59 -0.88 0.01 0.00 0.13 0.00 0.00 42.46 41.13 1c16 s ILE 35 CO 0.44 -0.08 -0.16 -0.70 -1.91 0.00 0.00 174.94 172.54 1c16 s GLU 36 N -1.15 3.10 -0.07 3.50 2.12 0.47 -4.97 118.70 121.69 1c16 s GLU 36 Ca -0.11 -0.78 0.02 0.00 0.36 0.00 0.00 54.97 54.46 1c16 s GLU 36 Cb -0.02 -2.66 0.01 0.00 0.26 0.00 0.00 34.13 31.72 1c16 s GLU 36 CO 0.08 -0.17 -0.13 0.08 -0.54 0.00 0.00 175.26 174.58 1c16 s VAL 37 N 1.24 1.22 0.03 3.70 1.01 -1.26 0.64 120.40 126.98 1c16 s VAL 37 Ca 0.03 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.52 1c16 s VAL 37 Cb -0.14 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 1c16 s VAL 37 CO -0.09 0.37 -0.11 -1.81 0.00 0.00 0.00 175.10 173.47 1c16 s ASP 38 N 0.64 1.25 -0.03 3.32 1.01 -0.24 -4.99 116.67 117.63 1c16 s ASP 38 Ca -0.15 -0.42 -0.03 0.00 0.71 0.00 0.00 52.55 52.66 1c16 s ASP 38 Cb -0.16 -0.06 -0.04 0.00 1.01 0.00 0.00 42.92 43.67 1c16 s ASP 38 CO 0.04 -0.03 0.14 -0.76 0.21 0.00 0.00 175.17 174.78 1c16 s LEU 39 N -1.09 4.24 -0.07 1.23 1.43 -1.26 0.20 118.68 123.35 1c16 s LEU 39 Ca -0.02 0.32 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 1c16 s LEU 39 Cb -0.07 -2.40 0.02 0.00 0.03 0.00 0.00 46.19 43.76 1c16 s LEU 39 CO 0.01 0.30 -0.11 -0.76 0.23 0.00 0.00 176.35 176.02 1c16 s LEU 40 N -1.67 1.53 -0.38 1.79 1.43 0.76 -0.74 118.68 121.39 1c16 s LEU 40 Ca 0.23 -0.28 -0.09 0.00 -1.03 0.00 0.00 54.13 52.96 1c16 s LEU 40 Cb -0.12 -0.79 0.05 0.00 0.03 0.00 0.00 46.19 45.35 1c16 s LEU 40 CO 0.14 -0.01 0.19 -0.75 0.23 0.00 0.00 176.35 176.16 1c16 s LYS 41 N 0.89 2.68 -0.65 1.70 2.20 -1.02 -0.55 119.74 125.00 1c16 s LYS 41 Ca -0.10 -1.24 0.00 0.00 -0.36 0.00 0.00 55.97 54.27 1c16 s LYS 41 Cb -0.15 -3.66 0.00 0.00 -1.51 0.00 0.00 37.83 32.51 1c16 s LYS 41 CO 0.01 -0.77 0.00 0.09 -0.36 0.00 0.00 175.35 174.32 1c16 n ASN 42 N 4.91 -5.01 0.00 1.43 3.02 0.16 -2.05 115.26 117.71 1c16 n ASN 42 Ca -0.11 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1c16 n ASN 42 Cb 0.45 -3.05 0.00 0.00 -0.61 0.00 0.00 39.78 36.57 1c16 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1c16 n GLY 43 N -0.54 0.63 3.58 7.41 0.00 -1.26 -5.06 105.19 109.95 1c16 n GLY 43 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 1c16 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1c16 s GLU 44 N -0.68 3.87 -0.35 1.61 2.02 -0.87 -4.97 118.70 119.32 1c16 s GLU 44 Ca 0.00 -0.40 -0.39 0.00 0.02 0.00 0.00 54.97 54.20 1c16 s GLU 44 Cb 0.00 -3.16 -0.14 0.00 0.10 0.00 0.00 34.13 30.93 1c16 s GLU 44 CO 0.00 0.21 2.01 -2.13 0.02 0.00 0.00 175.26 175.37 1c16 n ARG 45 N 3.70 0.93 -2.20 1.61 0.63 -1.26 -2.44 116.66 117.64 1c16 n ARG 45 Ca -0.17 0.29 -0.41 0.00 -0.92 0.00 0.00 57.85 56.65 1c16 n ARG 45 Cb 0.52 -2.16 -0.03 0.00 0.45 0.00 0.00 32.46 31.24 1c16 n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1c16 s ILE 46 N 5.64 2.99 0.00 5.15 1.01 0.08 -4.96 121.20 131.11 1c16 s ILE 46 Ca 1.07 0.92 0.00 0.00 0.00 0.00 0.00 60.65 62.64 1c16 s ILE 46 Cb -1.05 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 37.84 1c16 s ILE 46 CO 0.58 0.19 0.00 -0.62 0.00 0.00 0.00 174.94 175.09 1c16 n GLU 47 N 1.55 0.00 -2.23 2.79 1.02 -1.26 -4.49 120.64 118.02 1c16 n GLU 47 Ca 0.02 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.75 1c16 n GLU 47 Cb 0.42 -0.26 -0.03 0.00 -0.02 0.00 0.00 31.44 31.56 1c16 n GLU 47 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1c16 s LYS 48 N 0.00 3.14 -0.06 3.49 2.20 -1.26 -4.97 119.74 122.28 1c16 s LYS 48 Ca 0.00 0.68 0.00 0.00 -0.36 0.00 0.00 55.97 56.30 1c16 s LYS 48 Cb 0.00 -4.20 0.02 0.00 -1.51 0.00 0.00 37.83 32.14 1c16 s LYS 48 CO 0.00 -2.12 -0.04 0.08 -0.36 0.00 0.00 175.35 172.92 1c16 s VAL 49 N 6.96 0.57 0.31 4.02 1.01 -1.26 -4.72 120.40 127.30 1c16 s VAL 49 Ca 0.61 -0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.60 1c16 s VAL 49 Cb -0.13 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.57 1c16 s VAL 49 CO 0.26 0.26 0.03 -1.61 0.00 0.00 0.00 175.10 174.03 1c16 s GLU 50 N 1.31 2.20 0.12 2.72 2.02 -0.93 -4.97 118.70 121.16 1c16 s GLU 50 Ca -0.05 -1.60 -0.00 0.00 0.02 0.00 0.00 54.97 53.34 1c16 s GLU 50 Cb -0.14 -2.06 -0.04 0.00 0.10 0.00 0.00 34.13 32.00 1c16 s GLU 50 CO -0.02 0.21 0.02 -3.38 0.02 0.00 0.00 175.26 172.10 1c16 s HIS 51 N -2.44 0.85 1.00 1.61 -3.43 -1.26 -0.86 115.29 110.76 1c16 s HIS 51 Ca 0.34 -1.14 -0.15 0.00 -0.80 0.00 0.00 55.06 53.31 1c16 s HIS 51 Cb -0.03 -0.50 0.19 0.00 -1.43 0.00 0.00 32.58 30.82 1c16 s HIS 51 CO 0.20 -0.41 1.20 -1.54 -2.00 0.00 0.00 174.74 172.19 1c16 s SER 52 N -3.04 2.78 0.13 7.38 1.04 -0.26 -4.95 113.70 116.79 1c16 s SER 52 Ca 0.19 0.60 -0.28 0.00 0.48 0.00 0.00 55.95 56.95 1c16 s SER 52 Cb 0.07 -0.89 -0.07 0.00 0.10 0.00 0.00 66.02 65.24 1c16 s SER 52 CO -0.01 -2.97 0.87 -1.81 0.98 0.00 0.00 173.24 170.30 1c16 s ASP 53 N -4.36 7.44 0.36 7.02 1.01 -1.26 -4.72 116.67 122.16 1c16 s ASP 53 Ca 0.69 1.71 -0.25 0.00 0.71 0.00 0.00 52.55 55.41 1c16 s ASP 53 Cb -0.09 -2.54 -0.13 0.00 1.01 0.00 0.00 42.92 41.17 1c16 s ASP 53 CO 0.54 0.06 0.83 -0.11 0.21 0.00 0.00 175.17 176.70 1c16 n LEU 54 N 2.26 1.29 -3.72 1.23 7.94 -1.26 -4.92 117.00 119.81 1c16 n LEU 54 Ca -0.02 1.05 -0.07 0.00 -1.11 0.00 0.00 56.01 55.86 1c16 n LEU 54 Cb 0.49 -1.23 -0.02 0.00 0.53 0.00 0.00 43.42 43.19 1c16 n LEU 54 CO 0.49 -1.99 0.52 -0.55 -1.11 0.00 0.00 177.39 174.75 1c16 s SER 55 N -0.77 -0.32 0.05 1.96 0.15 -1.23 -5.04 113.70 108.50 1c16 s SER 55 Ca 0.62 -0.39 0.03 0.00 0.70 0.00 0.00 55.95 56.91 1c16 s SER 55 Cb -0.64 0.62 -0.03 0.00 -1.71 0.00 0.00 66.02 64.27 1c16 s SER 55 CO 0.58 -1.12 -0.09 0.72 1.20 0.00 0.00 173.24 174.54 1c16 s PHE 56 N -3.69 0.76 0.47 3.44 -0.12 -1.26 -1.23 117.98 116.35 1c16 s PHE 56 Ca 0.09 -0.52 -0.06 0.00 -0.05 0.00 0.00 56.93 56.38 1c16 s PHE 56 Cb -0.04 -0.45 0.10 0.00 -0.63 0.00 0.00 43.02 42.01 1c16 s PHE 56 CO 0.00 -0.07 0.64 0.43 -0.05 0.00 0.00 175.22 176.17 1c16 n SER 57 N 1.33 0.22 -0.20 1.98 7.64 0.78 -4.88 113.62 120.49 1c16 n SER 57 Ca -0.22 -1.34 0.00 0.00 1.01 0.00 0.00 58.87 58.33 1c16 n SER 57 Cb 0.55 -0.47 0.11 0.00 -1.01 0.00 0.00 64.21 63.39 1c16 n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1c16 h LYS 58 N 0.00 0.32 0.00 1.43 1.57 -2.02 -0.74 116.57 117.14 1c16 h LYS 58 Ca -0.21 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1c16 h LYS 58 Cb 0.61 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1c16 h LYS 58 CO 0.16 0.21 0.00 -0.40 -0.57 0.00 0.00 179.45 178.86 1c16 n ASP 59 N -5.06 0.00 0.00 0.86 5.75 -1.26 -4.83 116.55 112.01 1c16 n ASP 59 Ca 0.09 -1.41 0.00 0.00 -0.01 0.00 0.00 54.79 53.45 1c16 n ASP 59 Cb 0.30 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 1c16 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1c16 n TRP 60 N -0.57 0.00 -2.22 2.11 7.02 -0.28 -5.02 117.44 118.48 1c16 n TRP 60 Ca 0.03 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.18 1c16 n TRP 60 Cb 0.01 -0.10 -0.01 0.00 -2.42 0.00 0.00 31.31 28.80 1c16 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1c16 s SER 61 N -2.97 6.12 0.72 -0.99 1.04 -1.26 -4.72 113.70 111.63 1c16 s SER 61 Ca 0.00 1.75 -0.00 0.00 0.48 0.00 0.00 55.95 58.18 1c16 s SER 61 Cb 0.00 -2.53 0.13 0.00 0.10 0.00 0.00 66.02 63.72 1c16 s SER 61 CO 0.00 -0.93 0.99 -0.36 0.98 0.00 0.00 173.24 173.92 1c16 s PHE 62 N -2.46 1.51 -0.28 5.02 0.40 0.03 -0.16 117.98 122.04 1c16 s PHE 62 Ca 0.62 -0.32 -0.23 0.00 -0.60 0.00 0.00 56.93 56.40 1c16 s PHE 62 Cb -0.14 -2.95 0.13 0.00 0.51 0.00 0.00 43.02 40.57 1c16 s PHE 62 CO 0.33 -1.71 1.04 1.52 0.70 0.00 0.00 175.22 177.10 1c16 s TYR 63 N -3.13 -0.47 0.07 0.36 -0.85 -0.37 -1.13 117.35 111.84 1c16 s TYR 63 Ca 0.66 1.10 0.01 0.00 -0.52 0.00 0.00 57.07 58.32 1c16 s TYR 63 Cb -0.05 0.37 -0.04 0.00 0.38 0.00 0.00 41.96 42.62 1c16 s TYR 63 CO 0.44 -0.23 -0.05 -0.51 -1.52 0.00 0.00 175.55 173.68 1c16 s LEU 64 N 0.45 2.49 -0.22 -3.49 1.43 0.11 -3.58 118.68 115.87 1c16 s LEU 64 Ca 0.01 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.14 1c16 s LEU 64 Cb -0.05 0.04 0.06 0.00 0.03 0.00 0.00 46.19 46.27 1c16 s LEU 64 CO -0.09 -0.51 -0.05 -0.22 0.23 0.00 0.00 176.35 175.71 1c16 s LEU 65 N -2.90 2.37 -0.07 1.79 2.96 -1.26 -1.33 118.68 120.24 1c16 s LEU 65 Ca 0.08 -1.08 -0.12 0.00 -0.22 0.00 0.00 54.13 52.78 1c16 s LEU 65 Cb 0.05 -1.12 -0.05 0.00 0.50 0.00 0.00 46.19 45.57 1c16 s LEU 65 CO -0.07 -0.23 0.31 -0.31 -1.32 0.00 0.00 176.35 174.74 1c16 s TYR 66 N 1.44 3.63 0.18 5.38 1.51 0.66 -1.10 117.35 129.05 1c16 s TYR 66 Ca -0.05 0.77 -0.11 0.00 -1.01 0.00 0.00 57.07 56.68 1c16 s TYR 66 Cb -0.18 -2.21 -0.00 0.00 -0.11 0.00 0.00 41.96 39.45 1c16 s TYR 66 CO -0.07 0.56 0.34 1.52 -1.11 0.00 0.00 175.55 176.80 1c16 s TYR 67 N -0.66 0.32 -0.11 2.71 1.13 -0.04 0.39 117.35 121.09 1c16 s TYR 67 Ca 0.20 -0.67 -0.25 0.00 -1.41 0.00 0.00 57.07 54.94 1c16 s TYR 67 Cb -0.14 0.04 0.06 0.00 -1.10 0.00 0.00 41.96 40.81 1c16 s TYR 67 CO 0.09 -0.78 0.59 -0.08 -2.51 0.00 0.00 175.55 172.85 1c16 s THR 68 N -3.96 0.01 -0.04 -3.49 -1.32 -0.72 -2.20 115.64 103.92 1c16 s THR 68 Ca 0.17 -0.09 -0.30 0.00 -1.21 0.00 0.00 61.69 60.26 1c16 s THR 68 Cb 0.02 -0.88 -0.03 0.00 -1.51 0.00 0.00 72.50 70.11 1c16 s THR 68 CO 0.01 -0.05 1.06 -0.70 -2.21 0.00 0.00 174.62 172.73 1c16 s GLU 69 N -0.68 4.45 0.24 7.08 2.12 -1.26 -0.45 118.70 130.19 1c16 s GLU 69 Ca -0.08 1.50 -0.07 0.00 0.36 0.00 0.00 54.97 56.69 1c16 s GLU 69 Cb -0.02 -3.50 -0.02 0.00 0.26 0.00 0.00 34.13 30.85 1c16 s GLU 69 CO 0.06 -0.26 0.34 -0.59 -0.54 0.00 0.00 175.26 174.27 1c16 s PHE 70 N 1.65 0.76 -0.33 5.30 -0.71 -0.57 -4.90 117.98 119.17 1c16 s PHE 70 Ca 0.52 -1.05 -0.01 0.00 -1.04 0.00 0.00 56.93 55.35 1c16 s PHE 70 Cb -0.22 -0.14 0.12 0.00 -1.21 0.00 0.00 43.02 41.57 1c16 s PHE 70 CO 0.23 -0.87 0.17 0.95 -1.34 0.00 0.00 175.22 174.36 1c16 s THR 71 N -3.97 0.32 0.88 -4.49 -4.23 -1.26 0.45 115.64 103.34 1c16 s THR 71 Ca 0.30 -1.42 -0.10 0.00 -1.18 0.00 0.00 61.69 59.29 1c16 s THR 71 Cb 0.02 -1.25 0.13 0.00 1.34 0.00 0.00 72.50 72.74 1c16 s THR 71 CO 0.12 -0.84 1.14 -2.16 -0.54 0.00 0.00 174.62 172.33 1c16 s PRO 72 N 1.44 1.26 0.05 3.99 0.04 -1.26 -4.74 135.00 135.78 1c16 s PRO 72 Ca 0.14 1.49 -0.04 0.00 0.04 0.00 0.00 61.00 62.63 1c16 s PRO 72 Cb -0.20 -1.76 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 1c16 s PRO 72 CO -0.16 -2.44 0.05 0.95 0.04 0.00 0.00 177.00 175.43 1c16 s THR 73 N -2.68 0.17 -0.01 1.26 -4.23 -1.26 -1.91 115.64 106.98 1c16 s THR 73 Ca 0.66 -1.43 0.17 0.00 -1.18 0.00 0.00 61.69 59.91 1c16 s THR 73 Cb -0.22 -1.23 0.17 0.00 1.34 0.00 0.00 72.50 72.57 1c16 s THR 73 CO 0.57 -0.79 1.46 -0.33 -0.54 0.00 0.00 174.62 175.00 1c16 h GLU 74 N 3.32 0.00 0.00 3.99 4.39 -1.98 -3.22 114.58 121.08 1c16 h GLU 74 Ca -0.33 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.27 1c16 h GLU 74 Cb 1.17 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.80 1c16 h GLU 74 CO 0.58 0.00 -1.07 1.63 -1.16 0.00 0.00 179.01 178.99 1c16 n LYS 75 N -2.18 0.35 -1.70 2.33 5.02 -1.26 -5.00 118.16 115.72 1c16 n LYS 75 Ca -0.01 0.14 -0.60 0.00 -2.02 0.00 0.00 58.31 55.82 1c16 n LYS 75 Cb 0.23 -1.10 -0.08 0.00 -0.02 0.00 0.00 35.03 34.06 1c16 n LYS 75 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1c16 n ASP 76 N -4.00 1.86 -4.65 4.39 8.00 -1.22 -4.95 116.55 115.97 1c16 n ASP 76 Ca -0.17 1.12 -0.35 0.00 0.71 0.00 0.00 54.79 56.10 1c16 n ASP 76 Cb 0.47 -1.06 -0.10 0.00 -0.02 0.00 0.00 41.12 40.41 1c16 n ASP 76 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1c16 s GLU 77 N 2.94 3.64 0.14 -1.24 2.12 -1.26 -4.62 118.70 120.41 1c16 s GLU 77 Ca 0.99 -0.36 0.10 0.00 0.36 0.00 0.00 54.97 56.06 1c16 s GLU 77 Cb -1.19 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 30.09 1c16 s GLU 77 CO 0.68 0.43 -0.23 0.71 -0.54 0.00 0.00 175.26 176.31 1c16 s TYR 78 N -0.09 2.38 0.26 5.30 2.02 -1.26 0.35 117.35 126.31 1c16 s TYR 78 Ca 0.06 -0.34 -0.12 0.00 -0.37 0.00 0.00 57.07 56.30 1c16 s TYR 78 Cb -0.12 -1.26 -0.00 0.00 -0.40 0.00 0.00 41.96 40.17 1c16 s TYR 78 CO 0.01 0.38 0.48 0.00 -1.57 0.00 0.00 175.55 174.85 1c16 s ALA 79 N -1.19 -0.15 -0.03 3.71 0.00 0.29 -0.52 121.76 123.88 1c16 s ALA 79 Ca 0.16 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.23 1c16 s ALA 79 Cb -0.10 1.07 -0.01 0.00 0.00 0.00 0.00 23.12 24.09 1c16 s ALA 79 CO 0.08 -0.85 -0.17 0.00 0.00 0.00 0.00 175.76 174.82 1c16 s ARG 81 N -0.15 2.89 -0.12 0.00 3.52 0.13 -1.45 118.95 123.76 1c16 s ARG 81 Ca 0.01 -0.93 -0.01 0.00 -0.13 0.00 0.00 55.73 54.66 1c16 s ARG 81 Cb -0.09 -2.92 -0.02 0.00 -1.56 0.00 0.00 34.95 30.36 1c16 s ARG 81 CO 0.01 -0.36 -0.08 0.08 -0.81 0.00 0.00 175.30 174.14 1c16 s VAL 82 N 1.32 3.52 -0.08 7.11 1.01 0.58 -1.08 120.40 132.78 1c16 s VAL 82 Ca 0.01 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1c16 s VAL 82 Cb -0.16 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 33.74 1c16 s VAL 82 CO -0.06 0.53 -0.18 0.21 0.00 0.00 0.00 175.10 175.60 1c16 s ASN 83 N 0.02 2.46 0.02 3.32 2.47 0.21 -1.49 114.94 121.95 1c16 s ASN 83 Ca -0.02 -0.44 -0.18 0.00 0.42 0.00 0.00 52.86 52.65 1c16 s ASN 83 Cb -0.14 -1.13 0.03 0.00 -1.45 0.00 0.00 41.25 38.56 1c16 s ASN 83 CO 0.03 0.10 0.40 -2.28 -3.72 0.00 0.00 177.10 171.63 1c16 s HIS 84 N 0.49 -0.26 0.53 0.43 5.65 -1.26 -0.40 115.29 120.47 1c16 s HIS 84 Ca -0.17 0.28 0.28 0.00 0.25 0.00 0.00 55.06 55.71 1c16 s HIS 84 Cb -0.17 0.19 1.42 0.00 -1.18 0.00 0.00 32.58 32.84 1c16 s HIS 84 CO 0.07 -0.53 1.93 0.28 -0.65 0.00 0.00 174.74 175.84 1c16 h VAL 85 N 3.23 0.63 0.00 0.89 2.07 -1.94 0.78 116.25 121.91 1c16 h VAL 85 Ca -0.31 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1c16 h VAL 85 Cb 1.19 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1c16 h VAL 85 CO 0.43 0.01 0.00 0.35 0.02 0.00 0.00 177.57 178.37 1c16 n THR 86 N -4.32 0.00 -4.11 2.57 -2.24 -1.26 -4.81 114.28 100.10 1c16 n THR 86 Ca 0.15 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.58 1c16 n THR 86 Cb 0.81 -0.50 -0.08 0.00 -2.10 0.00 0.00 70.33 68.46 1c16 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1c16 s LEU 87 N -1.88 3.94 0.14 3.22 1.43 0.26 -4.93 118.68 120.86 1c16 s LEU 87 Ca 0.37 0.26 -0.10 0.00 -1.03 0.00 0.00 54.13 53.63 1c16 s LEU 87 Cb 0.17 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 1c16 s LEU 87 CO 0.29 0.35 1.42 0.28 0.23 0.00 0.00 176.35 178.92 1c16 h SER 88 N 5.39 0.91 -5.01 2.29 0.02 -1.87 -3.46 113.55 111.82 1c16 h SER 88 Ca -0.50 -0.49 -0.11 0.00 -0.84 0.00 0.00 61.79 59.85 1c16 h SER 88 Cb 1.20 -0.26 -0.19 0.00 0.14 0.00 0.00 62.40 63.29 1c16 h SER 88 CO 0.59 1.28 -0.27 0.00 -1.14 0.00 0.00 176.83 177.28 1c16 s GLN 89 N -4.09 0.70 0.80 3.45 -2.07 -1.26 -5.15 119.66 112.04 1c16 s GLN 89 Ca -0.10 -0.28 -0.16 0.00 -1.82 0.00 0.00 55.36 53.00 1c16 s GLN 89 Cb 0.10 0.31 -0.10 0.00 -1.09 0.00 0.00 33.01 32.23 1c16 s GLN 89 CO 0.88 -0.20 -0.13 -2.30 -1.32 0.00 0.00 175.29 172.22 1c16 n PRO 90 N 1.09 0.04 -5.21 9.60 -0.02 -1.26 -4.98 135.00 134.26 1c16 n PRO 90 Ca -0.21 0.03 -0.31 0.00 -2.02 0.00 0.00 63.50 61.00 1c16 n PRO 90 Cb 0.57 -1.33 -0.16 0.00 -0.02 0.00 0.00 33.50 32.56 1c16 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1c16 s LYS 91 N -2.16 2.41 -0.06 -0.52 2.20 -0.56 -5.00 119.74 116.06 1c16 s LYS 91 Ca 0.53 -0.87 0.03 0.00 -0.36 0.00 0.00 55.97 55.30 1c16 s LYS 91 Cb -0.31 -2.07 0.01 0.00 -1.51 0.00 0.00 37.83 33.95 1c16 s LYS 91 CO 0.70 0.38 -0.14 0.42 -0.36 0.00 0.00 175.35 176.35 1c16 s ILE 92 N -0.17 1.25 -0.10 5.43 1.01 -1.26 -0.31 121.20 127.05 1c16 s ILE 92 Ca -0.03 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.09 1c16 s ILE 92 Cb -0.13 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.23 1c16 s ILE 92 CO 0.03 0.38 -0.20 -0.69 0.00 0.00 0.00 174.94 174.45 1c16 s VAL 93 N 0.45 1.82 0.26 2.92 1.01 -0.53 -4.97 120.40 121.35 1c16 s VAL 93 Ca -0.11 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 60.71 1c16 s VAL 93 Cb -0.14 -1.60 -0.09 0.00 0.00 0.00 0.00 36.38 34.55 1c16 s VAL 93 CO 0.04 0.50 0.99 -0.54 0.00 0.00 0.00 175.10 176.09 1c16 s LYS 94 N 0.57 4.78 0.64 2.72 1.02 -1.26 -1.22 119.74 127.00 1c16 s LYS 94 Ca -0.14 1.59 -0.16 0.00 0.02 0.00 0.00 55.97 57.27 1c16 s LYS 94 Cb -0.17 -3.24 -0.01 0.00 -0.52 0.00 0.00 37.83 33.90 1c16 s LYS 94 CO 0.05 0.41 1.15 -0.46 -0.92 0.00 0.00 175.35 175.58 1c16 s TRP 95 N -1.19 2.47 -0.12 3.18 -0.00 0.32 -4.94 118.94 118.67 1c16 s TRP 95 Ca 0.42 1.56 -0.04 0.00 -0.00 0.00 0.00 56.10 58.04 1c16 s TRP 95 Cb -0.28 -3.30 0.06 0.00 -0.00 0.00 0.00 33.47 29.95 1c16 s TRP 95 CO 0.35 -1.95 0.21 0.34 -0.00 0.00 0.00 176.95 175.90 1c16 s ASP 96 N -2.16 0.68 0.00 5.86 -1.08 -1.26 -4.88 116.67 113.83 1c16 s ASP 96 Ca 0.71 0.36 0.10 0.00 -0.52 0.00 0.00 52.55 53.20 1c16 s ASP 96 Cb -0.24 0.47 0.58 0.00 -1.46 0.00 0.00 42.92 42.26 1c16 s ASP 96 CO 0.38 -0.26 1.00 0.54 0.52 0.00 0.00 175.17 177.36 1c16 n ARG 97 N 5.34 0.39 0.00 4.34 1.74 -1.26 -2.77 116.66 124.43 1c16 n ARG 97 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1c16 n ARG 97 Cb 0.50 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 1c16 n ARG 97 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1c16 n ASP 98 N -0.89 2.44 -0.06 0.55 8.00 -1.26 -4.80 116.55 120.54 1c16 n ASP 98 Ca 0.07 -0.25 0.01 0.00 0.71 0.00 0.00 54.79 55.33 1c16 n ASP 98 Cb 0.03 0.99 0.01 0.00 -0.02 0.00 0.00 41.12 42.13 1c16 n ASP 98 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61