#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 0.58 -0.09 9.51 -0.21 -1.26 -4.72 119.66 123.48 1c16 s GLN 2 Ca 0.00 -0.92 -0.04 0.00 0.02 0.00 0.00 55.36 54.42 1c16 s GLN 2 Cb 0.00 -0.18 0.05 0.00 1.00 0.00 0.00 33.01 33.88 1c16 s GLN 2 CO 0.00 0.01 0.19 1.03 -2.12 0.00 0.00 175.29 174.40 1c16 s ARG 3 N -2.31 0.10 0.43 2.91 0.52 -1.26 -4.92 118.95 114.42 1c16 s ARG 3 Ca -0.04 0.55 -0.24 0.00 -0.52 0.00 0.00 55.73 55.48 1c16 s ARG 3 Cb -0.05 -0.18 -0.08 0.00 0.52 0.00 0.00 34.95 35.16 1c16 s ARG 3 CO -0.02 -0.25 1.16 -0.08 0.02 0.00 0.00 175.30 176.13 1c16 s THR 4 N 1.89 3.19 0.48 0.02 -1.32 -1.26 -1.49 115.64 117.15 1c16 s THR 4 Ca -0.02 0.95 -0.20 0.00 -1.21 0.00 0.00 61.69 61.20 1c16 s THR 4 Cb -0.12 -3.50 -0.08 0.00 -1.51 0.00 0.00 72.50 67.28 1c16 s THR 4 CO -0.07 0.04 1.04 -2.16 -2.21 0.00 0.00 174.62 171.26 1c16 s PRO 5 N -2.49 3.81 -0.15 7.08 0.04 -1.26 -4.20 135.00 137.84 1c16 s PRO 5 Ca 0.60 1.38 -0.07 0.00 0.04 0.00 0.00 61.00 62.95 1c16 s PRO 5 Cb -0.29 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 1c16 s PRO 5 CO 0.36 -0.42 0.09 0.15 0.04 0.00 0.00 177.00 177.21 1c16 s LYS 6 N -3.19 3.67 0.16 4.56 1.02 -0.56 -4.94 119.74 120.46 1c16 s LYS 6 Ca 0.67 -0.26 0.10 0.00 0.02 0.00 0.00 55.97 56.49 1c16 s LYS 6 Cb -0.17 -3.17 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 1c16 s LYS 6 CO 0.20 0.52 -0.17 0.42 -0.92 0.00 0.00 175.35 175.40 1c16 s ILE 7 N -0.31 2.82 -0.19 2.17 1.01 -1.26 -2.39 121.20 123.05 1c16 s ILE 7 Ca 0.10 -1.69 -0.10 0.00 0.00 0.00 0.00 60.65 58.96 1c16 s ILE 7 Cb -0.12 -2.34 0.07 0.00 0.01 0.00 0.00 42.46 40.08 1c16 s ILE 7 CO 0.01 -0.02 0.46 -1.10 0.00 0.00 0.00 174.94 174.29 1c16 s GLN 8 N -2.49 0.43 -0.10 2.79 -0.21 -0.89 -4.97 119.66 114.22 1c16 s GLN 8 Ca 0.21 0.91 0.03 0.00 0.02 0.00 0.00 55.36 56.53 1c16 s GLN 8 Cb -0.09 0.08 -0.01 0.00 1.00 0.00 0.00 33.01 33.99 1c16 s GLN 8 CO 0.12 -0.17 -0.20 0.08 -2.12 0.00 0.00 175.29 172.99 1c16 s VAL 9 N 1.69 2.49 0.20 1.09 1.01 -1.26 -0.05 120.40 125.57 1c16 s VAL 9 Ca -0.08 -0.88 -0.23 0.00 0.00 0.00 0.00 61.98 60.79 1c16 s VAL 9 Cb -0.09 -1.98 0.06 0.00 0.00 0.00 0.00 36.38 34.37 1c16 s VAL 9 CO -0.14 0.55 0.94 -0.72 0.00 0.00 0.00 175.10 175.73 1c16 s TYR 10 N 0.13 -0.06 0.04 5.22 -0.85 -0.29 -4.65 117.35 116.88 1c16 s TYR 10 Ca -0.10 -0.32 0.01 0.00 -0.52 0.00 0.00 57.07 56.14 1c16 s TYR 10 Cb -0.16 0.68 -0.04 0.00 0.38 0.00 0.00 41.96 42.82 1c16 s TYR 10 CO 0.06 -0.96 0.11 -1.54 -1.52 0.00 0.00 175.55 171.69 1c16 s SER 11 N -3.06 5.77 0.11 -0.18 1.04 -1.26 0.46 113.70 116.58 1c16 s SER 11 Ca 0.15 0.12 -0.28 0.00 0.48 0.00 0.00 55.95 56.42 1c16 s SER 11 Cb -0.02 -1.65 -0.09 0.00 0.10 0.00 0.00 66.02 64.35 1c16 s SER 11 CO 0.04 0.22 1.63 -0.09 0.98 0.00 0.00 173.24 176.02 1c16 h ARG 12 N 3.62 -0.50 -6.12 4.02 2.43 -1.49 -3.43 114.38 112.91 1c16 h ARG 12 Ca -0.48 0.03 -0.56 0.00 -0.81 0.00 0.00 59.98 58.17 1c16 h ARG 12 Cb 1.17 0.11 -0.09 0.00 -0.42 0.00 0.00 29.97 30.74 1c16 h ARG 12 CO 0.66 -0.33 -0.60 -1.01 -1.51 0.00 0.00 179.97 177.18 1c16 s HIS 13 N -6.05 2.66 0.01 2.20 3.76 -1.26 -5.04 115.29 111.57 1c16 s HIS 13 Ca -0.16 -0.33 -0.37 0.00 -0.15 0.00 0.00 55.06 54.05 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 1.50 -2.30 -0.85 0.00 0.00 174.74 174.22 1c16 n PRO 14 N -1.00 1.36 -1.68 8.40 -0.02 -1.26 -4.83 135.00 135.97 1c16 n PRO 14 Ca -0.05 0.49 -0.45 0.00 -2.02 0.00 0.00 63.50 61.47 1c16 n PRO 14 Cb 0.61 -2.18 -0.04 0.00 -0.02 0.00 0.00 33.50 31.87 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 3.55 1.43 -3.36 3.55 0.00 -1.26 -4.98 120.51 119.44 1c16 n ALA 15 Ca 0.20 0.32 -0.10 0.00 0.00 0.00 0.00 53.44 53.87 1c16 n ALA 15 Cb 0.20 -2.51 -0.08 0.00 0.00 0.00 0.00 19.45 17.06 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 3.00 0.34 0.51 0.00 2.12 -1.26 -5.15 118.70 118.26 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 -0.60 -0.52 -0.11 0.00 0.26 0.00 0.00 34.13 33.15 1c16 s GLU 16 CO 0.43 -0.69 0.43 0.09 -0.54 0.00 0.00 175.26 174.99 1c16 n ASN 17 N 5.36 -1.40 0.00 -1.70 3.02 -1.26 -2.29 115.26 117.00 1c16 n ASN 17 Ca -0.03 0.78 0.00 0.00 -0.03 0.00 0.00 54.58 55.30 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 1.90 1.90 3.68 7.41 0.00 -0.74 -4.96 105.19 114.37 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 3.21 0.58 1.61 1.02 -0.97 -5.03 119.74 120.17 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 -2.90 -0.04 0.00 -0.52 0.00 0.00 37.83 34.37 1c16 s LYS 19 CO 0.00 0.62 1.17 0.45 -0.92 0.00 0.00 175.35 176.67 1c16 n SER 20 N 2.42 1.73 -0.31 2.83 2.88 -1.26 -4.41 113.62 117.49 1c16 n SER 20 Ca -0.18 0.88 0.00 0.00 -1.33 0.00 0.00 58.87 58.24 1c16 n SER 20 Cb 0.53 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 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 -1.02 0.00 -3.75 -3.46 2.85 0.18 -4.97 115.26 105.09 1c16 n ASN 21 Ca 0.13 -0.31 -0.14 0.00 -0.11 0.00 0.00 54.58 54.15 1c16 n ASN 21 Cb 0.46 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.34 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 -4.79 -0.17 -0.17 1.20 0.40 -1.26 -1.30 117.98 111.89 1c16 s PHE 22 Ca 0.00 0.49 -0.16 0.00 -0.60 0.00 0.00 56.93 56.66 1c16 s PHE 22 Cb 0.00 -0.08 -0.04 0.00 0.51 0.00 0.00 43.02 43.41 1c16 s PHE 22 CO 0.00 -0.17 0.41 -1.17 0.70 0.00 0.00 175.22 174.99 1c16 s LEU 23 N 1.16 4.20 -0.05 -0.37 2.96 0.39 -1.10 118.68 125.87 1c16 s LEU 23 Ca -0.09 0.60 0.05 0.00 -0.22 0.00 0.00 54.13 54.47 1c16 s LEU 23 Cb -0.11 -2.55 -0.02 0.00 0.50 0.00 0.00 46.19 44.00 1c16 s LEU 23 CO -0.06 -0.04 -0.18 0.20 -1.32 0.00 0.00 176.35 174.95 1c16 s ASN 24 N 0.86 3.74 -0.11 3.68 0.02 0.17 -1.73 114.94 121.57 1c16 s ASN 24 Ca 0.21 -0.28 0.01 0.00 -1.02 0.00 0.00 52.86 51.77 1c16 s ASN 24 Cb -0.15 -0.75 0.02 0.00 0.02 0.00 0.00 41.25 40.40 1c16 s ASN 24 CO 0.08 0.33 -0.12 0.00 0.02 0.00 0.00 177.10 177.41 1c16 s TYR 26 N 1.23 2.85 -0.11 0.00 5.04 0.92 -0.11 117.35 127.17 1c16 s TYR 26 Ca -0.03 -1.68 -0.01 0.00 -2.44 0.00 0.00 57.07 52.92 1c16 s TYR 26 Cb -0.14 -1.94 -0.03 0.00 0.35 0.00 0.00 41.96 40.21 1c16 s TYR 26 CO -0.04 -0.80 -0.08 0.08 -1.34 0.00 0.00 175.55 173.37 1c16 s VAL 27 N 1.28 3.59 0.34 3.14 1.01 -0.55 -2.09 120.40 127.12 1c16 s VAL 27 Ca 0.03 -0.49 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 1c16 s VAL 27 Cb -0.14 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 33.75 1c16 s VAL 27 CO -0.11 0.54 0.62 -0.94 0.00 0.00 0.00 175.10 175.21 1c16 s SER 28 N -0.12 0.31 0.00 3.32 1.04 -1.01 0.12 113.70 117.36 1c16 s SER 28 Ca 0.01 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.25 1c16 s SER 28 Cb -0.13 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.72 1c16 s SER 28 CO 0.03 -1.43 0.00 0.61 0.98 0.00 0.00 173.24 173.43 1c16 n GLY 29 N -0.51 0.00 3.92 7.32 0.00 -0.30 -1.50 105.19 114.12 1c16 n GLY 29 Ca -0.03 0.00 -0.29 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 -0.89 3.49 0.00 1.61 -0.12 -1.24 -4.56 117.98 116.28 1c16 s PHE 30 Ca 0.00 0.32 0.00 0.00 -0.05 0.00 0.00 56.93 57.20 1c16 s PHE 30 Cb 0.00 -1.83 0.00 0.00 -0.63 0.00 0.00 43.02 40.56 1c16 s PHE 30 CO 0.00 0.48 0.00 1.58 -0.05 0.00 0.00 175.22 177.23 1c16 n HIS 31 N -0.21 0.00 -0.58 3.49 -0.00 -0.55 -0.68 115.22 116.69 1c16 n HIS 31 Ca -0.05 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.42 1c16 n HIS 31 Cb 0.53 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 -0.39 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 -0.67 0.58 0.00 -0.02 0.00 0.00 33.50 33.39 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 4.28 0.35 -2.22 2.55 4.64 -2.00 -3.40 113.55 117.74 1c16 h SER 33 Ca -0.04 0.15 -0.57 0.00 -0.47 0.00 0.00 61.79 60.86 1c16 h SER 33 Cb 0.63 0.13 0.03 0.00 -0.31 0.00 0.00 62.40 62.87 1c16 h SER 33 CO 0.51 -0.16 1.11 -0.67 -0.87 0.00 0.00 176.83 176.76 1c16 n ASP 34 N -4.83 3.73 -3.63 4.97 2.03 -1.26 -4.96 116.55 112.60 1c16 n ASP 34 Ca 0.34 0.96 -0.16 0.00 0.52 0.00 0.00 54.79 56.46 1c16 n ASP 34 Cb 1.23 -1.45 -0.07 0.00 -0.72 0.00 0.00 41.12 40.10 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 3.68 0.02 -0.20 5.18 2.07 -1.26 -4.67 121.20 126.02 1c16 s ILE 35 Ca 0.89 -0.16 -0.01 0.00 -1.41 0.00 0.00 60.65 59.95 1c16 s ILE 35 Cb -0.58 -0.83 0.01 0.00 0.13 0.00 0.00 42.46 41.18 1c16 s ILE 35 CO 0.45 -0.09 -0.12 -0.70 -1.91 0.00 0.00 174.94 172.57 1c16 s GLU 36 N -0.98 3.13 -0.07 3.50 2.12 0.41 -4.97 118.70 121.83 1c16 s GLU 36 Ca -0.10 -0.76 0.03 0.00 0.36 0.00 0.00 54.97 54.50 1c16 s GLU 36 Cb -0.02 -2.78 0.01 0.00 0.26 0.00 0.00 34.13 31.59 1c16 s GLU 36 CO 0.06 -0.22 -0.15 0.08 -0.54 0.00 0.00 175.26 174.50 1c16 s VAL 37 N 1.37 1.33 0.03 3.70 1.01 -1.26 0.56 120.40 127.14 1c16 s VAL 37 Ca 0.05 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.48 1c16 s VAL 37 Cb -0.14 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 1c16 s VAL 37 CO -0.08 0.40 -0.11 -1.81 0.00 0.00 0.00 175.10 173.50 1c16 s ASP 38 N 0.62 1.28 -0.04 3.32 1.01 -0.14 -4.99 116.67 117.73 1c16 s ASP 38 Ca -0.15 -0.41 -0.03 0.00 0.71 0.00 0.00 52.55 52.67 1c16 s ASP 38 Cb -0.16 -0.07 -0.04 0.00 1.01 0.00 0.00 42.92 43.66 1c16 s ASP 38 CO 0.05 -0.02 0.15 -0.76 0.21 0.00 0.00 175.17 174.80 1c16 s LEU 39 N -1.05 4.26 -0.07 1.23 1.43 -1.26 0.14 118.68 123.35 1c16 s LEU 39 Ca -0.01 0.33 0.02 0.00 -1.03 0.00 0.00 54.13 53.44 1c16 s LEU 39 Cb -0.07 -2.39 0.02 0.00 0.03 0.00 0.00 46.19 43.77 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 -1.65 1.54 -0.37 1.79 1.43 0.92 -0.64 118.68 121.70 1c16 s LEU 40 Ca 0.23 -0.29 -0.08 0.00 -1.03 0.00 0.00 54.13 52.96 1c16 s LEU 40 Cb -0.12 -0.80 0.05 0.00 0.03 0.00 0.00 46.19 45.34 1c16 s LEU 40 CO 0.14 -0.00 0.17 -0.75 0.23 0.00 0.00 176.35 176.13 1c16 s LYS 41 N 0.88 2.66 -0.67 1.70 2.20 -1.06 -0.51 119.74 124.94 1c16 s LYS 41 Ca -0.11 -1.22 0.00 0.00 -0.36 0.00 0.00 55.97 54.28 1c16 s LYS 41 Cb -0.15 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 1c16 s LYS 41 CO 0.01 -0.74 0.00 0.09 -0.36 0.00 0.00 175.35 174.35 1c16 n ASN 42 N 4.89 -5.14 0.00 1.43 3.02 0.18 -2.11 115.26 117.52 1c16 n ASN 42 Ca -0.12 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1c16 n ASN 42 Cb 0.45 -3.20 0.00 0.00 -0.61 0.00 0.00 39.78 36.41 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 -0.37 0.63 3.56 7.41 0.00 -1.26 -5.06 105.19 110.10 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 -0.69 3.82 -0.35 1.61 2.02 -0.90 -4.98 118.70 119.24 1c16 s GLU 44 Ca 0.00 -0.42 -0.39 0.00 0.02 0.00 0.00 54.97 54.18 1c16 s GLU 44 Cb 0.00 -3.13 -0.15 0.00 0.10 0.00 0.00 34.13 30.95 1c16 s GLU 44 CO 0.00 0.19 1.99 -2.13 0.02 0.00 0.00 175.26 175.32 1c16 n ARG 45 N 3.76 0.89 -2.22 1.61 0.63 -1.26 -2.55 116.66 117.52 1c16 n ARG 45 Ca -0.17 0.29 -0.41 0.00 -0.92 0.00 0.00 57.85 56.64 1c16 n ARG 45 Cb 0.52 -2.12 -0.03 0.00 0.45 0.00 0.00 32.46 31.28 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 5.44 3.06 0.00 5.15 1.01 0.18 -4.96 121.20 131.08 1c16 s ILE 46 Ca 1.07 0.98 0.00 0.00 0.00 0.00 0.00 60.65 62.70 1c16 s ILE 46 Cb -1.07 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 37.77 1c16 s ILE 46 CO 0.60 0.20 0.00 -0.62 0.00 0.00 0.00 174.94 175.12 1c16 n GLU 47 N 1.62 0.00 -2.26 2.79 1.02 -1.26 -4.49 120.64 118.06 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 0.43 -0.28 -0.03 0.00 -0.02 0.00 0.00 31.44 31.54 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 3.15 -0.07 3.49 2.20 -1.26 -4.97 119.74 122.28 1c16 s LYS 48 Ca 0.00 0.61 0.00 0.00 -0.36 0.00 0.00 55.97 56.22 1c16 s LYS 48 Cb 0.00 -4.20 0.02 0.00 -1.51 0.00 0.00 37.83 32.15 1c16 s LYS 48 CO 0.00 -2.11 -0.04 0.08 -0.36 0.00 0.00 175.35 172.92 1c16 s VAL 49 N 6.85 0.60 0.31 4.02 1.01 -1.26 -4.72 120.40 127.21 1c16 s VAL 49 Ca 0.59 -0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.57 1c16 s VAL 49 Cb -0.13 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 1c16 s VAL 49 CO 0.25 0.27 0.04 -1.61 0.00 0.00 0.00 175.10 174.04 1c16 s GLU 50 N 1.37 2.24 0.11 2.72 2.02 -0.96 -4.97 118.70 121.24 1c16 s GLU 50 Ca -0.04 -1.56 -0.00 0.00 0.02 0.00 0.00 54.97 53.39 1c16 s GLU 50 Cb -0.13 -2.09 -0.04 0.00 0.10 0.00 0.00 34.13 31.96 1c16 s GLU 50 CO -0.03 0.23 0.01 -3.38 0.02 0.00 0.00 175.26 172.11 1c16 s HIS 51 N -2.41 0.83 1.01 1.61 -3.43 -1.26 -0.83 115.29 110.81 1c16 s HIS 51 Ca 0.34 -1.13 -0.15 0.00 -0.80 0.00 0.00 55.06 53.32 1c16 s HIS 51 Cb -0.03 -0.50 0.20 0.00 -1.43 0.00 0.00 32.58 30.82 1c16 s HIS 51 CO 0.20 -0.40 1.19 -1.54 -2.00 0.00 0.00 174.74 172.19 1c16 s SER 52 N -3.04 2.64 0.11 7.38 1.04 -0.23 -4.95 113.70 116.66 1c16 s SER 52 Ca 0.18 0.65 -0.28 0.00 0.48 0.00 0.00 55.95 56.99 1c16 s SER 52 Cb 0.07 -0.97 -0.06 0.00 0.10 0.00 0.00 66.02 65.16 1c16 s SER 52 CO -0.02 -3.06 0.87 -1.81 0.98 0.00 0.00 173.24 170.20 1c16 s ASP 53 N -4.26 7.40 0.37 7.02 1.01 -1.26 -4.72 116.67 122.23 1c16 s ASP 53 Ca 0.69 1.67 -0.25 0.00 0.71 0.00 0.00 52.55 55.38 1c16 s ASP 53 Cb -0.10 -2.54 -0.13 0.00 1.01 0.00 0.00 42.92 41.16 1c16 s ASP 53 CO 0.54 0.02 0.78 -0.11 0.21 0.00 0.00 175.17 176.61 1c16 n LEU 54 N 2.52 1.00 -3.67 1.23 7.94 -1.26 -4.93 117.00 119.84 1c16 n LEU 54 Ca -0.01 1.03 -0.08 0.00 -1.11 0.00 0.00 56.01 55.85 1c16 n LEU 54 Cb 0.49 -1.20 -0.02 0.00 0.53 0.00 0.00 43.42 43.22 1c16 n LEU 54 CO 0.49 -2.16 0.53 -0.55 -1.11 0.00 0.00 177.39 174.59 1c16 s SER 55 N -0.80 -0.35 0.05 1.96 0.15 -1.24 -5.04 113.70 108.43 1c16 s SER 55 Ca 0.62 -0.31 0.02 0.00 0.70 0.00 0.00 55.95 56.98 1c16 s SER 55 Cb -0.65 0.60 -0.03 0.00 -1.71 0.00 0.00 66.02 64.24 1c16 s SER 55 CO 0.58 -1.06 -0.08 0.72 1.20 0.00 0.00 173.24 174.60 1c16 s PHE 56 N -3.64 0.73 0.55 3.44 -0.12 -1.26 -1.31 117.98 116.35 1c16 s PHE 56 Ca 0.08 -0.51 -0.07 0.00 -0.05 0.00 0.00 56.93 56.38 1c16 s PHE 56 Cb -0.03 -0.43 0.12 0.00 -0.63 0.00 0.00 43.02 42.05 1c16 s PHE 56 CO -0.02 -0.07 0.74 0.43 -0.05 0.00 0.00 175.22 176.25 1c16 n SER 57 N 1.39 0.31 -0.23 1.98 7.64 0.59 -4.89 113.62 120.41 1c16 n SER 57 Ca -0.22 -1.42 0.03 0.00 1.01 0.00 0.00 58.87 58.26 1c16 n SER 57 Cb 0.55 -0.54 0.15 0.00 -1.01 0.00 0.00 64.21 63.35 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 0.41 0.00 1.43 1.57 -2.02 -0.45 116.57 117.51 1c16 h LYS 58 Ca -0.24 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1c16 h LYS 58 Cb 0.73 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1c16 h LYS 58 CO 0.19 0.27 0.00 -0.40 -0.57 0.00 0.00 179.45 178.95 1c16 n ASP 59 N -5.00 0.00 0.00 0.86 5.75 -1.26 -4.84 116.55 112.06 1c16 n ASP 59 Ca 0.12 -1.54 0.00 0.00 -0.01 0.00 0.00 54.79 53.36 1c16 n ASP 59 Cb 0.35 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 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 -0.58 0.00 -2.12 2.11 7.02 -0.18 -5.03 117.44 118.67 1c16 n TRP 60 Ca 0.03 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.19 1c16 n TRP 60 Cb 0.02 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.91 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 -3.22 5.93 0.73 -0.99 1.04 -1.26 -4.72 113.70 111.21 1c16 s SER 61 Ca 0.00 1.79 -0.00 0.00 0.48 0.00 0.00 55.95 58.21 1c16 s SER 61 Cb 0.00 -2.53 0.14 0.00 0.10 0.00 0.00 66.02 63.73 1c16 s SER 61 CO 0.00 -1.07 1.01 -0.36 0.98 0.00 0.00 173.24 173.80 1c16 s PHE 62 N -2.46 1.41 -0.29 5.02 0.40 0.15 -0.30 117.98 121.91 1c16 s PHE 62 Ca 0.63 -0.34 -0.23 0.00 -0.60 0.00 0.00 56.93 56.39 1c16 s PHE 62 Cb -0.15 -2.98 0.14 0.00 0.51 0.00 0.00 43.02 40.54 1c16 s PHE 62 CO 0.35 -1.78 1.08 1.52 0.70 0.00 0.00 175.22 177.09 1c16 s TYR 63 N -3.16 -0.43 0.09 0.36 -0.85 -0.43 -1.15 117.35 111.79 1c16 s TYR 63 Ca 0.67 0.98 0.01 0.00 -0.52 0.00 0.00 57.07 58.21 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 0.45 -0.21 -0.05 -0.51 -1.52 0.00 0.00 175.55 173.71 1c16 s LEU 64 N 0.49 2.46 -0.21 -3.49 1.43 0.12 -3.61 118.68 115.86 1c16 s LEU 64 Ca 0.01 -1.02 -0.00 0.00 -1.03 0.00 0.00 54.13 52.08 1c16 s LEU 64 Cb -0.05 0.00 0.05 0.00 0.03 0.00 0.00 46.19 46.23 1c16 s LEU 64 CO -0.10 -0.51 -0.05 -0.22 0.23 0.00 0.00 176.35 175.71 1c16 s LEU 65 N -3.02 2.12 -0.07 1.79 2.96 -1.26 -1.48 118.68 119.71 1c16 s LEU 65 Ca 0.12 -0.98 -0.13 0.00 -0.22 0.00 0.00 54.13 52.92 1c16 s LEU 65 Cb 0.06 -1.04 -0.05 0.00 0.50 0.00 0.00 46.19 45.66 1c16 s LEU 65 CO -0.05 -0.22 0.32 -0.31 -1.32 0.00 0.00 176.35 174.77 1c16 s TYR 66 N 1.52 3.63 0.18 5.38 1.51 0.84 -1.06 117.35 129.34 1c16 s TYR 66 Ca -0.03 0.79 -0.11 0.00 -1.01 0.00 0.00 57.07 56.71 1c16 s TYR 66 Cb -0.17 -2.23 -0.00 0.00 -0.11 0.00 0.00 41.96 39.44 1c16 s TYR 66 CO -0.07 0.56 0.34 1.52 -1.11 0.00 0.00 175.55 176.79 1c16 s TYR 67 N -0.65 0.30 -0.11 2.71 1.13 -0.01 0.24 117.35 120.96 1c16 s TYR 67 Ca 0.20 -0.66 -0.24 0.00 -1.41 0.00 0.00 57.07 54.96 1c16 s TYR 67 Cb -0.15 0.04 0.06 0.00 -1.10 0.00 0.00 41.96 40.81 1c16 s TYR 67 CO 0.09 -0.77 0.58 -0.08 -2.51 0.00 0.00 175.55 172.86 1c16 s THR 68 N -3.95 0.01 -0.02 -3.49 -1.32 -0.71 -2.26 115.64 103.90 1c16 s THR 68 Ca 0.16 -0.09 -0.30 0.00 -1.21 0.00 0.00 61.69 60.25 1c16 s THR 68 Cb 0.02 -0.87 -0.03 0.00 -1.51 0.00 0.00 72.50 70.12 1c16 s THR 68 CO 0.00 -0.05 1.07 -0.70 -2.21 0.00 0.00 174.62 172.73 1c16 s GLU 69 N -0.65 4.47 0.24 7.08 2.12 -1.26 -0.47 118.70 130.23 1c16 s GLU 69 Ca -0.07 1.53 -0.07 0.00 0.36 0.00 0.00 54.97 56.71 1c16 s GLU 69 Cb -0.03 -3.47 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 1c16 s GLU 69 CO 0.05 -0.22 0.35 -0.59 -0.54 0.00 0.00 175.26 174.32 1c16 s PHE 70 N 1.44 0.76 -0.33 5.30 -0.71 -0.42 -4.90 117.98 119.13 1c16 s PHE 70 Ca 0.53 -1.05 -0.02 0.00 -1.04 0.00 0.00 56.93 55.36 1c16 s PHE 70 Cb -0.23 -0.13 0.12 0.00 -1.21 0.00 0.00 43.02 41.57 1c16 s PHE 70 CO 0.25 -0.88 0.16 0.95 -1.34 0.00 0.00 175.22 174.36 1c16 s THR 71 N -3.95 0.31 0.88 -4.49 -4.23 -1.26 0.49 115.64 103.39 1c16 s THR 71 Ca 0.30 -1.35 -0.10 0.00 -1.18 0.00 0.00 61.69 59.35 1c16 s THR 71 Cb 0.02 -1.25 0.12 0.00 1.34 0.00 0.00 72.50 72.74 1c16 s THR 71 CO 0.12 -0.82 1.13 -2.16 -0.54 0.00 0.00 174.62 172.35 1c16 s PRO 72 N 1.51 1.35 0.05 3.99 0.04 -1.26 -4.74 135.00 135.94 1c16 s PRO 72 Ca 0.13 1.44 -0.04 0.00 0.04 0.00 0.00 61.00 62.58 1c16 s PRO 72 Cb -0.19 -1.77 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 1c16 s PRO 72 CO -0.19 -2.36 0.05 0.95 0.04 0.00 0.00 177.00 175.48 1c16 s THR 73 N -2.72 0.17 0.02 1.26 -4.23 -1.26 -1.80 115.64 107.08 1c16 s THR 73 Ca 0.65 -1.41 0.17 0.00 -1.18 0.00 0.00 61.69 59.92 1c16 s THR 73 Cb -0.21 -1.20 0.17 0.00 1.34 0.00 0.00 72.50 72.60 1c16 s THR 73 CO 0.57 -0.78 1.46 -0.33 -0.54 0.00 0.00 174.62 175.00 1c16 h GLU 74 N 3.35 0.00 0.00 3.99 4.39 -1.98 -3.21 114.58 121.13 1c16 h GLU 74 Ca -0.33 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.24 1c16 h GLU 74 Cb 1.17 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.80 1c16 h GLU 74 CO 0.58 0.00 -1.18 1.63 -1.16 0.00 0.00 179.01 178.87 1c16 n LYS 75 N -2.18 0.33 -1.70 2.33 5.02 -1.26 -5.00 118.16 115.71 1c16 n LYS 75 Ca -0.01 0.14 -0.59 0.00 -2.02 0.00 0.00 58.31 55.82 1c16 n LYS 75 Cb 0.24 -1.07 -0.08 0.00 -0.02 0.00 0.00 35.03 34.10 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 -3.93 1.93 -4.66 4.39 8.00 -1.21 -4.95 116.55 116.11 1c16 n ASP 76 Ca -0.19 1.11 -0.35 0.00 0.71 0.00 0.00 54.79 56.07 1c16 n ASP 76 Cb 0.50 -1.08 -0.09 0.00 -0.02 0.00 0.00 41.12 40.42 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 2.92 3.62 0.12 -1.24 2.12 -1.26 -4.62 118.70 120.35 1c16 s GLU 77 Ca 0.98 -0.35 0.10 0.00 0.36 0.00 0.00 54.97 56.06 1c16 s GLU 77 Cb -1.16 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 30.12 1c16 s GLU 77 CO 0.67 0.44 -0.25 0.71 -0.54 0.00 0.00 175.26 176.30 1c16 s TYR 78 N -0.13 2.37 0.24 5.30 2.02 -1.26 0.51 117.35 126.40 1c16 s TYR 78 Ca 0.06 -0.35 -0.12 0.00 -0.37 0.00 0.00 57.07 56.29 1c16 s TYR 78 Cb -0.12 -1.29 -0.01 0.00 -0.40 0.00 0.00 41.96 40.14 1c16 s TYR 78 CO 0.01 0.33 0.45 0.00 -1.57 0.00 0.00 175.55 174.77 1c16 s ALA 79 N -1.05 -0.11 -0.03 3.71 0.00 0.33 -0.31 121.76 124.30 1c16 s ALA 79 Ca 0.15 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.20 1c16 s ALA 79 Cb -0.10 1.10 -0.01 0.00 0.00 0.00 0.00 23.12 24.11 1c16 s ALA 79 CO 0.07 -0.83 -0.19 0.00 0.00 0.00 0.00 175.76 174.80 1c16 s ARG 81 N -0.22 2.88 -0.12 0.00 3.52 0.12 -1.44 118.95 123.69 1c16 s ARG 81 Ca 0.02 -0.93 -0.01 0.00 -0.13 0.00 0.00 55.73 54.67 1c16 s ARG 81 Cb -0.10 -2.88 -0.02 0.00 -1.56 0.00 0.00 34.95 30.39 1c16 s ARG 81 CO 0.01 -0.35 -0.08 0.08 -0.81 0.00 0.00 175.30 174.15 1c16 s VAL 82 N 1.31 3.53 -0.09 7.11 1.01 0.36 -0.97 120.40 132.67 1c16 s VAL 82 Ca 0.01 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.52 1c16 s VAL 82 Cb -0.16 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.73 1c16 s VAL 82 CO -0.06 0.53 -0.19 0.21 0.00 0.00 0.00 175.10 175.59 1c16 s ASN 83 N 0.07 2.54 0.03 3.32 2.47 0.19 -1.52 114.94 122.05 1c16 s ASN 83 Ca -0.03 -0.45 -0.17 0.00 0.42 0.00 0.00 52.86 52.63 1c16 s ASN 83 Cb -0.14 -1.16 0.03 0.00 -1.45 0.00 0.00 41.25 38.53 1c16 s ASN 83 CO 0.03 0.10 0.39 -2.28 -3.72 0.00 0.00 177.10 171.62 1c16 s HIS 84 N 0.52 -0.24 0.52 0.43 5.65 -1.26 -0.45 115.29 120.46 1c16 s HIS 84 Ca -0.16 0.23 0.26 0.00 0.25 0.00 0.00 55.06 55.64 1c16 s HIS 84 Cb -0.17 0.18 1.39 0.00 -1.18 0.00 0.00 32.58 32.80 1c16 s HIS 84 CO 0.06 -0.53 1.95 0.28 -0.65 0.00 0.00 174.74 175.86 1c16 h VAL 85 N 3.20 0.68 0.00 0.89 2.07 -1.94 0.11 116.25 121.26 1c16 h VAL 85 Ca -0.31 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1c16 h VAL 85 Cb 1.20 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1c16 h VAL 85 CO 0.43 0.01 0.00 0.35 0.02 0.00 0.00 177.57 178.38 1c16 n THR 86 N -4.36 0.00 -4.12 2.57 -2.24 -1.26 -4.81 114.28 100.06 1c16 n THR 86 Ca 0.13 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.55 1c16 n THR 86 Cb 0.71 -0.50 -0.08 0.00 -2.10 0.00 0.00 70.33 68.36 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 3.91 0.15 3.22 1.43 0.02 -4.93 118.68 120.61 1c16 s LEU 87 Ca 0.37 0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 53.62 1c16 s LEU 87 Cb 0.17 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 1c16 s LEU 87 CO 0.28 0.34 1.45 0.28 0.23 0.00 0.00 176.35 178.94 1c16 h SER 88 N 5.44 0.87 -5.00 2.29 0.02 -1.87 -3.46 113.55 111.84 1c16 h SER 88 Ca -0.49 -0.46 -0.11 0.00 -0.84 0.00 0.00 61.79 59.89 1c16 h SER 88 Cb 1.20 -0.25 -0.20 0.00 0.14 0.00 0.00 62.40 63.30 1c16 h SER 88 CO 0.59 1.23 -0.25 0.00 -1.14 0.00 0.00 176.83 177.26 1c16 s GLN 89 N -4.12 0.71 0.79 3.45 -2.07 -1.26 -5.15 119.66 112.01 1c16 s GLN 89 Ca -0.10 -0.22 -0.17 0.00 -1.82 0.00 0.00 55.36 53.06 1c16 s GLN 89 Cb 0.11 0.31 -0.11 0.00 -1.09 0.00 0.00 33.01 32.23 1c16 s GLN 89 CO 0.87 -0.20 -0.19 -2.30 -1.32 0.00 0.00 175.29 172.15 1c16 n PRO 90 N 1.15 0.04 -5.22 9.60 -0.02 -1.26 -4.98 135.00 134.30 1c16 n PRO 90 Ca -0.21 0.03 -0.31 0.00 -2.02 0.00 0.00 63.50 60.99 1c16 n PRO 90 Cb 0.57 -1.27 -0.16 0.00 -0.02 0.00 0.00 33.50 32.61 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 -2.05 2.42 -0.06 -0.52 2.20 -0.57 -5.00 119.74 116.16 1c16 s LYS 91 Ca 0.52 -0.88 0.03 0.00 -0.36 0.00 0.00 55.97 55.29 1c16 s LYS 91 Cb -0.31 -2.08 0.01 0.00 -1.51 0.00 0.00 37.83 33.93 1c16 s LYS 91 CO 0.71 0.39 -0.15 0.42 -0.36 0.00 0.00 175.35 176.36 1c16 s ILE 92 N -0.19 1.29 -0.11 5.43 1.01 -1.26 -0.48 121.20 126.89 1c16 s ILE 92 Ca -0.02 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.07 1c16 s ILE 92 Cb -0.13 -1.15 0.01 0.00 0.01 0.00 0.00 42.46 41.20 1c16 s ILE 92 CO 0.03 0.39 -0.21 -0.69 0.00 0.00 0.00 174.94 174.46 1c16 s VAL 93 N 0.46 1.87 0.26 2.92 1.01 -0.52 -4.96 120.40 121.43 1c16 s VAL 93 Ca -0.12 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 60.68 1c16 s VAL 93 Cb -0.15 -1.64 -0.09 0.00 0.00 0.00 0.00 36.38 34.50 1c16 s VAL 93 CO 0.04 0.52 0.99 -0.54 0.00 0.00 0.00 175.10 176.10 1c16 s LYS 94 N 0.60 4.75 0.65 2.72 1.02 -1.26 -1.13 119.74 127.09 1c16 s LYS 94 Ca -0.13 1.57 -0.16 0.00 0.02 0.00 0.00 55.97 57.27 1c16 s LYS 94 Cb -0.17 -3.19 -0.01 0.00 -0.52 0.00 0.00 37.83 33.95 1c16 s LYS 94 CO 0.04 0.39 1.13 -0.46 -0.92 0.00 0.00 175.35 175.53 1c16 s TRP 95 N -1.22 2.52 -0.14 3.18 -0.00 0.58 -4.94 118.94 118.93 1c16 s TRP 95 Ca 0.43 1.56 -0.04 0.00 -0.00 0.00 0.00 56.10 58.05 1c16 s TRP 95 Cb -0.27 -3.25 0.07 0.00 -0.00 0.00 0.00 33.47 30.01 1c16 s TRP 95 CO 0.34 -1.85 0.23 0.34 -0.00 0.00 0.00 176.95 176.01 1c16 s ASP 96 N -2.31 0.65 0.00 5.86 -1.08 -1.26 -4.88 116.67 113.65 1c16 s ASP 96 Ca 0.70 0.37 0.08 0.00 -0.52 0.00 0.00 52.55 53.17 1c16 s ASP 96 Cb -0.23 0.55 0.49 0.00 -1.46 0.00 0.00 42.92 42.27 1c16 s ASP 96 CO 0.39 -0.26 0.91 0.54 0.52 0.00 0.00 175.17 177.27 1c16 n ARG 97 N 5.34 0.35 0.00 4.34 1.74 -1.26 -2.76 116.66 124.41 1c16 n ARG 97 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1c16 n ARG 97 Cb 0.50 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 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 -0.87 2.04 -0.03 0.55 8.00 -1.26 -4.80 116.55 120.18 1c16 n ASP 98 Ca 0.06 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.30 1c16 n ASP 98 Cb 0.03 0.93 0.00 0.00 -0.02 0.00 0.00 41.12 42.06 1c16 n ASP 98 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61