#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cii s GLN 2 N 0.00 0.13 -0.23 9.51 -0.21 -1.26 -4.22 119.66 123.38 2cii s GLN 2 Ca 0.00 0.24 0.01 0.00 0.02 0.00 0.00 55.36 55.63 2cii s GLN 2 Cb 0.00 -0.81 0.04 0.00 1.00 0.00 0.00 33.01 33.24 2cii s GLN 2 CO 0.00 -0.37 -0.13 1.03 -2.12 0.00 0.00 175.29 173.70 2cii s ARG 3 N 2.11 2.68 0.50 2.91 0.52 0.11 -4.93 118.95 122.85 2cii s ARG 3 Ca 0.05 -1.05 -0.24 0.00 -0.52 0.00 0.00 55.73 53.97 2cii s ARG 3 Cb -0.13 -2.80 -0.07 0.00 0.52 0.00 0.00 34.95 32.47 2cii s ARG 3 CO -0.04 -0.39 1.39 2.41 0.02 0.00 0.00 175.30 178.69 2cii n THR 4 N 4.57 3.29 -2.52 0.02 -1.04 -1.26 -2.15 114.28 115.19 2cii n THR 4 Ca -0.17 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.05 60.97 2cii n THR 4 Cb 0.46 -1.74 -0.04 0.00 -1.82 0.00 0.00 70.33 67.19 2cii n THR 4 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2cii s PRO 5 N -2.65 4.10 -0.14 -2.82 0.04 -1.26 -4.30 135.00 127.98 2cii s PRO 5 Ca 0.66 1.52 -0.12 0.00 0.04 0.00 0.00 61.00 63.10 2cii s PRO 5 Cb -0.44 -2.50 -0.05 0.00 0.04 0.00 0.00 34.50 31.56 2cii s PRO 5 CO 0.53 -0.20 0.26 0.15 0.04 0.00 0.00 177.00 177.79 2cii s LYS 6 N -2.57 4.05 -0.04 4.56 1.02 0.29 -4.88 119.74 122.18 2cii s LYS 6 Ca 0.59 0.05 0.06 0.00 0.02 0.00 0.00 55.97 56.69 2cii s LYS 6 Cb -0.22 -3.35 -0.01 0.00 -0.52 0.00 0.00 37.83 33.72 2cii s LYS 6 CO 0.28 0.41 -0.23 0.42 -0.92 0.00 0.00 175.35 175.30 2cii s ILE 7 N -0.03 1.84 -0.03 2.17 -1.09 -1.26 -0.38 121.20 122.43 2cii s ILE 7 Ca 0.16 -0.97 -0.01 0.00 -2.23 0.00 0.00 60.65 57.60 2cii s ILE 7 Cb -0.13 -1.55 0.03 0.00 -1.58 0.00 0.00 42.46 39.23 2cii s ILE 7 CO 0.04 0.52 0.04 -1.10 -1.23 0.00 0.00 174.94 173.21 2cii s GLN 8 N -0.28 0.00 -0.13 2.79 -0.21 -0.80 -4.99 119.66 116.04 2cii s GLN 8 Ca 0.01 0.24 -0.01 0.00 0.02 0.00 0.00 55.36 55.63 2cii s GLN 8 Cb -0.11 -0.39 -0.02 0.00 1.00 0.00 0.00 33.01 33.49 2cii s GLN 8 CO 0.02 -0.23 -0.09 0.08 -2.12 0.00 0.00 175.29 172.95 2cii s VAL 9 N 1.49 3.43 0.13 1.09 1.01 -1.26 -0.58 120.40 125.71 2cii s VAL 9 Ca -0.04 -0.53 -0.26 0.00 0.00 0.00 0.00 61.98 61.15 2cii s VAL 9 Cb -0.13 -2.46 0.07 0.00 0.00 0.00 0.00 36.38 33.87 2cii s VAL 9 CO -0.03 0.52 1.01 -0.72 0.00 0.00 0.00 175.10 175.89 2cii s TYR 10 N 0.17 -0.11 -0.02 5.22 -0.85 -0.22 -4.63 117.35 116.90 2cii s TYR 10 Ca -0.05 -0.16 0.00 0.00 -0.52 0.00 0.00 57.07 56.34 2cii s TYR 10 Cb -0.14 0.63 -0.04 0.00 0.38 0.00 0.00 41.96 42.79 2cii s TYR 10 CO 0.04 -0.75 0.02 -1.54 -1.52 0.00 0.00 175.55 171.81 2cii s SER 11 N -2.95 5.31 0.18 -0.18 1.04 -1.26 0.84 113.70 116.67 2cii s SER 11 Ca 0.13 0.07 -0.16 0.00 0.48 0.00 0.00 55.95 56.46 2cii s SER 11 Cb -0.00 -1.45 0.15 0.00 0.10 0.00 0.00 66.02 64.81 2cii s SER 11 CO 0.01 0.30 1.65 -0.09 0.98 0.00 0.00 173.24 176.09 2cii h ARG 12 N 4.42 -0.00 -6.21 4.02 2.43 -1.54 -3.42 114.38 114.08 2cii h ARG 12 Ca -0.49 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.12 2cii h ARG 12 Cb 1.18 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.64 2cii h ARG 12 CO 0.58 -0.00 -0.63 -1.01 -1.51 0.00 0.00 179.97 177.40 2cii s HIS 13 N -6.22 2.75 0.01 2.20 3.76 -1.26 -5.03 115.29 111.49 2cii s HIS 13 Ca -0.14 -0.20 -0.30 0.00 -0.15 0.00 0.00 55.06 54.27 2cii s HIS 13 Cb 0.16 -1.23 -0.09 0.00 1.11 0.00 0.00 32.58 32.54 2cii s HIS 13 CO 0.72 0.60 2.00 -0.35 -0.85 0.00 0.00 174.74 176.87 2cii n PRO 14 N -0.87 2.78 -1.23 8.40 -0.04 -1.26 -4.87 135.00 137.90 2cii n PRO 14 Ca -0.07 1.00 -0.37 0.00 -0.04 0.00 0.00 63.50 64.02 2cii n PRO 14 Cb 0.59 -3.03 0.06 0.00 -0.04 0.00 0.00 33.50 31.07 2cii n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cii n ALA 15 N 7.97 -2.22 -3.21 0.55 0.00 -1.26 -5.02 120.51 117.32 2cii n ALA 15 Ca 0.21 -0.25 0.03 0.00 0.00 0.00 0.00 53.44 53.44 2cii n ALA 15 Cb 0.41 -1.70 -0.01 0.00 0.00 0.00 0.00 19.45 18.15 2cii n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2cii s GLU 16 N -2.35 0.54 0.10 0.00 2.12 -1.26 -5.11 118.70 112.74 2cii s GLU 16 Ca 0.61 1.01 -0.36 0.00 0.36 0.00 0.00 54.97 56.59 2cii s GLU 16 Cb -0.36 0.57 -0.17 0.00 0.26 0.00 0.00 34.13 34.43 2cii s GLU 16 CO 0.62 -0.53 1.18 0.09 -0.54 0.00 0.00 175.26 176.08 2cii n ASN 17 N 5.43 1.03 0.00 -1.70 3.02 -1.23 -0.20 115.26 121.61 2cii n ASN 17 Ca -0.03 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.66 2cii n ASN 17 Cb 0.51 -1.12 0.00 0.00 -0.61 0.00 0.00 39.78 38.56 2cii n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cii n GLY 18 N 2.11 2.63 3.62 7.41 0.00 -0.46 -5.00 105.19 115.51 2cii n GLY 18 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 2cii n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2cii s LYS 19 N -0.20 4.01 0.19 1.61 2.36 0.73 -4.98 119.74 123.46 2cii s LYS 19 Ca 0.00 -0.28 -0.33 0.00 -2.55 0.00 0.00 55.97 52.82 2cii s LYS 19 Cb 0.00 -3.60 -0.14 0.00 -1.05 0.00 0.00 37.83 33.03 2cii s LYS 19 CO 0.00 -0.08 1.45 0.45 1.55 0.00 0.00 175.35 178.72 2cii n SER 20 N 4.72 2.68 0.00 1.43 2.88 -1.26 -4.20 113.62 119.87 2cii n SER 20 Ca -0.14 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 2cii n SER 20 Cb 0.52 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 2cii n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2cii n ASN 21 N 2.64 0.05 -3.76 -3.46 2.85 0.76 -4.99 115.26 109.35 2cii n ASN 21 Ca 0.14 0.00 -0.14 0.00 -0.11 0.00 0.00 54.58 54.48 2cii n ASN 21 Cb 0.29 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.16 2cii n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2cii s PHE 22 N -0.73 -0.14 -0.28 1.20 0.08 -1.26 -2.72 117.98 114.13 2cii s PHE 22 Ca 0.00 0.44 -0.13 0.00 0.12 0.00 0.00 56.93 57.36 2cii s PHE 22 Cb 0.00 -0.09 -0.04 0.00 -0.57 0.00 0.00 43.02 42.32 2cii s PHE 22 CO 0.00 -0.15 0.28 -1.17 -0.10 0.00 0.00 175.22 174.07 2cii s LEU 23 N 1.08 4.07 0.02 -0.37 2.96 0.04 -1.21 118.68 125.28 2cii s LEU 23 Ca -0.08 0.08 0.03 0.00 -0.22 0.00 0.00 54.13 53.93 2cii s LEU 23 Cb -0.11 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 2cii s LEU 23 CO -0.05 -0.13 -0.03 0.20 -1.32 0.00 0.00 176.35 175.02 2cii s ASN 24 N 1.71 4.86 -0.21 3.68 0.01 0.25 -2.24 114.94 122.99 2cii s ASN 24 Ca 0.10 -0.11 -0.03 0.00 -0.71 0.00 0.00 52.86 52.12 2cii s ASN 24 Cb -0.16 -1.18 0.07 0.00 0.41 0.00 0.00 41.25 40.38 2cii s ASN 24 CO 0.11 0.26 0.05 0.00 -1.51 0.00 0.00 177.10 176.01 2cii s TYR 26 N 1.86 3.24 -0.19 0.00 5.04 0.26 -0.65 117.35 126.91 2cii s TYR 26 Ca 0.01 -0.83 -0.09 0.00 -2.44 0.00 0.00 57.07 53.72 2cii s TYR 26 Cb -0.17 -3.05 -0.05 0.00 0.35 0.00 0.00 41.96 39.05 2cii s TYR 26 CO -0.12 -0.76 0.10 0.08 -1.34 0.00 0.00 175.55 173.52 2cii s VAL 27 N 1.69 5.18 0.37 3.14 1.01 -0.94 -1.91 120.40 128.94 2cii s VAL 27 Ca 0.05 0.11 -0.09 0.00 0.00 0.00 0.00 61.98 62.04 2cii s VAL 27 Cb -0.23 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 32.83 2cii s VAL 27 CO 0.08 0.46 0.64 -0.94 0.00 0.00 0.00 175.10 175.33 2cii s SER 28 N 0.26 0.49 -1.78 3.32 1.04 0.49 -1.23 113.70 116.28 2cii s SER 28 Ca 0.07 -1.33 0.00 0.00 0.48 0.00 0.00 55.95 55.17 2cii s SER 28 Cb -0.12 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.77 2cii s SER 28 CO -0.01 -1.51 0.00 0.61 0.98 0.00 0.00 173.24 173.31 2cii n GLY 29 N -0.55 1.54 3.85 7.32 0.00 -0.64 0.11 105.19 116.82 2cii n GLY 29 Ca -0.04 -0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 2cii n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2cii s PHE 30 N -2.65 3.20 -0.29 1.61 -0.71 -1.04 -4.42 117.98 113.68 2cii s PHE 30 Ca 0.00 -0.08 -0.19 0.00 -1.04 0.00 0.00 56.93 55.63 2cii s PHE 30 Cb 0.00 -1.45 0.13 0.00 -1.21 0.00 0.00 43.02 40.49 2cii s PHE 30 CO 0.00 0.50 0.98 -1.58 -1.34 0.00 0.00 175.22 173.78 2cii s HIS 31 N -2.05 -0.57 1.05 3.49 2.46 -0.91 0.06 115.29 118.82 2cii s HIS 31 Ca 0.33 1.20 -0.18 0.00 0.47 0.00 0.00 55.06 56.88 2cii s HIS 31 Cb -0.08 0.37 0.26 0.00 -0.13 0.00 0.00 32.58 33.00 2cii s HIS 31 CO 0.26 -0.28 0.86 -0.35 -2.47 0.00 0.00 174.74 172.76 2cii n PRO 32 N 3.27 -3.12 0.12 2.88 -0.04 -1.26 0.09 135.00 136.94 2cii n PRO 32 Ca -0.17 -1.39 0.12 0.00 -0.04 0.00 0.00 63.50 62.03 2cii n PRO 32 Cb 0.57 -1.39 0.27 0.00 -0.04 0.00 0.00 33.50 32.91 2cii n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2cii h SER 33 N -2.62 0.00 -2.73 3.54 4.64 -2.00 -3.46 113.55 110.93 2cii h SER 33 Ca -0.34 -0.05 -0.54 0.00 -0.47 0.00 0.00 61.79 60.40 2cii h SER 33 Cb 1.05 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.14 2cii h SER 33 CO 0.22 0.02 0.98 -1.81 -0.87 0.00 0.00 176.83 175.37 2cii s ASP 34 N -4.92 6.69 -0.09 4.97 -0.00 -1.26 -4.96 116.67 117.11 2cii s ASP 34 Ca 0.08 2.31 -0.15 0.00 -0.00 0.00 0.00 52.55 54.79 2cii s ASP 34 Cb 0.11 -2.55 0.03 0.00 -0.00 0.00 0.00 42.92 40.51 2cii s ASP 34 CO 0.66 -0.85 0.38 -0.51 -0.00 0.00 0.00 175.17 174.85 2cii s ILE 35 N 2.96 0.02 -0.15 0.77 2.07 -1.26 -4.64 121.20 120.97 2cii s ILE 35 Ca 0.71 -0.20 -0.04 0.00 -1.41 0.00 0.00 60.65 59.71 2cii s ILE 35 Cb -0.36 -0.61 -0.03 0.00 0.13 0.00 0.00 42.46 41.59 2cii s ILE 35 CO 0.30 -0.11 -0.04 -0.70 -1.91 0.00 0.00 174.94 172.48 2cii s GLU 36 N -0.54 3.67 -0.02 3.50 2.12 -0.02 -4.99 118.70 122.42 2cii s GLU 36 Ca -0.07 -0.52 -0.00 0.00 0.36 0.00 0.00 54.97 54.74 2cii s GLU 36 Cb -0.04 -2.91 0.03 0.00 0.26 0.00 0.00 34.13 31.48 2cii s GLU 36 CO 0.03 0.25 0.03 0.08 -0.54 0.00 0.00 175.26 175.11 2cii s VAL 37 N 0.34 -0.06 0.11 3.70 1.01 -1.26 -0.57 120.40 123.67 2cii s VAL 37 Ca -0.04 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.19 2cii s VAL 37 Cb -0.14 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 2cii s VAL 37 CO 0.03 0.09 -0.09 -1.81 0.00 0.00 0.00 175.10 173.32 2cii s ASP 38 N 1.07 1.43 -0.04 3.32 1.01 0.13 -4.97 116.67 118.61 2cii s ASP 38 Ca -0.09 -0.89 0.01 0.00 0.71 0.00 0.00 52.55 52.30 2cii s ASP 38 Cb -0.13 0.02 -0.03 0.00 1.01 0.00 0.00 42.92 43.79 2cii s ASP 38 CO -0.03 -0.32 -0.06 -0.76 0.21 0.00 0.00 175.17 174.21 2cii s LEU 39 N -2.70 3.22 0.01 1.23 1.43 -1.26 -0.12 118.68 120.49 2cii s LEU 39 Ca 0.09 -0.05 0.07 0.00 -1.03 0.00 0.00 54.13 53.21 2cii s LEU 39 Cb -0.00 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 2cii s LEU 39 CO -0.01 0.33 -0.21 -0.76 0.23 0.00 0.00 176.35 175.93 2cii s LEU 40 N -1.04 2.39 -0.21 1.79 1.43 0.15 -2.11 118.68 121.08 2cii s LEU 40 Ca 0.14 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 2cii s LEU 40 Cb -0.11 -1.43 0.04 0.00 0.03 0.00 0.00 46.19 44.72 2cii s LEU 40 CO 0.04 0.29 -0.15 -0.75 0.23 0.00 0.00 176.35 176.00 2cii s LYS 41 N -1.05 2.58 -1.35 1.70 2.20 0.12 -2.04 119.74 121.91 2cii s LYS 41 Ca 0.12 -0.99 -0.11 0.00 -0.36 0.00 0.00 55.97 54.62 2cii s LYS 41 Cb -0.10 -2.64 0.01 0.00 -1.51 0.00 0.00 37.83 33.59 2cii s LYS 41 CO 0.02 -0.36 0.45 0.09 -0.36 0.00 0.00 175.35 175.19 2cii n ASN 42 N 4.57 -1.81 0.00 1.43 3.02 0.19 -0.41 115.26 122.26 2cii n ASN 42 Ca -0.18 -1.13 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 2cii n ASN 42 Cb 0.47 -2.50 0.00 0.00 -0.61 0.00 0.00 39.78 37.14 2cii n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cii n GLY 43 N -2.08 0.79 3.60 7.41 0.00 -1.26 -4.99 105.19 108.65 2cii n GLY 43 Ca -0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 2cii n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2cii s GLU 44 N -0.34 2.51 0.26 1.61 2.56 0.46 -5.01 118.70 120.75 2cii s GLU 44 Ca 0.00 -0.76 -0.30 0.00 0.00 0.00 0.00 54.97 53.91 2cii s GLU 44 Cb 0.00 -2.48 -0.10 0.00 2.00 0.00 0.00 34.13 33.55 2cii s GLU 44 CO 0.00 0.59 1.43 0.50 -0.56 0.00 0.00 175.26 177.21 2cii s ARG 45 N -1.55 4.27 -0.22 4.30 3.52 -1.26 0.14 118.95 128.16 2cii s ARG 45 Ca 0.18 2.29 -0.15 0.00 -0.13 0.00 0.00 55.73 57.92 2cii s ARG 45 Cb -0.11 -3.10 -0.04 0.00 -1.56 0.00 0.00 34.95 30.14 2cii s ARG 45 CO 0.09 -0.40 0.39 0.42 -0.81 0.00 0.00 175.30 174.99 2cii s ILE 46 N -0.13 5.20 0.83 4.11 1.01 -0.90 -4.86 121.20 126.46 2cii s ILE 46 Ca 0.58 0.66 -0.10 0.00 0.00 0.00 0.00 60.65 61.79 2cii s ILE 46 Cb -0.42 -3.71 0.09 0.00 0.01 0.00 0.00 42.46 38.43 2cii s ILE 46 CO 0.44 0.23 1.11 -1.61 0.00 0.00 0.00 174.94 175.12 2cii s GLU 47 N 1.49 1.76 -1.19 2.79 0.41 -1.26 -4.18 118.70 118.51 2cii s GLU 47 Ca 0.18 1.31 -0.28 0.00 -0.41 0.00 0.00 54.97 55.77 2cii s GLU 47 Cb -0.15 -1.83 0.02 0.00 -1.78 0.00 0.00 34.13 30.39 2cii s GLU 47 CO 0.08 -2.04 0.72 1.63 -0.49 0.00 0.00 175.26 175.17 2cii n LYS 48 N -3.81 -0.72 -3.52 1.61 4.76 -1.26 -4.95 118.16 110.26 2cii n LYS 48 Ca 0.10 0.25 -0.37 0.00 -2.87 0.00 0.00 58.31 55.41 2cii n LYS 48 Cb 0.53 -3.27 -0.09 0.00 -1.84 0.00 0.00 35.03 30.36 2cii n LYS 48 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2cii s VAL 49 N -3.52 5.28 0.61 -0.18 1.01 -1.26 -4.99 120.40 117.35 2cii s VAL 49 Ca 0.48 0.44 -0.07 0.00 0.00 0.00 0.00 61.98 62.82 2cii s VAL 49 Cb -0.22 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.55 2cii s VAL 49 CO 0.92 0.29 0.94 -1.61 0.00 0.00 0.00 175.10 175.64 2cii s GLU 50 N 1.25 3.00 0.16 2.72 2.02 -0.86 -4.91 118.70 122.08 2cii s GLU 50 Ca 0.13 0.16 -0.22 0.00 0.02 0.00 0.00 54.97 55.05 2cii s GLU 50 Cb -0.14 -2.22 0.06 0.00 0.10 0.00 0.00 34.13 31.93 2cii s GLU 50 CO 0.06 -0.72 0.58 -3.38 0.02 0.00 0.00 175.26 171.83 2cii s HIS 51 N -3.06 -0.49 1.00 1.61 -3.43 -1.26 -1.25 115.29 108.41 2cii s HIS 51 Ca 0.54 0.26 -0.12 0.00 -0.80 0.00 0.00 55.06 54.94 2cii s HIS 51 Cb -0.11 0.53 0.19 0.00 -1.43 0.00 0.00 32.58 31.76 2cii s HIS 51 CO 0.47 -0.84 1.08 -1.12 -2.00 0.00 0.00 174.74 172.33 2cii s SER 52 N -2.76 2.57 0.22 7.38 0.01 0.27 -4.96 113.70 116.43 2cii s SER 52 Ca 0.01 1.38 -0.25 0.00 1.31 0.00 0.00 55.95 58.40 2cii s SER 52 Cb -0.01 -2.06 -0.09 0.00 0.21 0.00 0.00 66.02 64.08 2cii s SER 52 CO -0.12 -3.19 0.83 -1.81 0.41 0.00 0.00 173.24 169.35 2cii s ASP 53 N -3.24 7.37 0.37 2.44 1.01 -1.26 -4.74 116.67 118.62 2cii s ASP 53 Ca 0.65 1.70 -0.26 0.00 0.71 0.00 0.00 52.55 55.36 2cii s ASP 53 Cb -0.20 -2.52 -0.12 0.00 1.01 0.00 0.00 42.92 41.09 2cii s ASP 53 CO 0.59 0.11 0.99 -0.11 0.21 0.00 0.00 175.17 176.96 2cii n LEU 54 N 1.20 2.18 -4.00 1.23 7.94 -1.26 -4.90 117.00 119.39 2cii n LEU 54 Ca -0.03 1.09 -0.13 0.00 -1.11 0.00 0.00 56.01 55.83 2cii n LEU 54 Cb 0.49 -1.32 -0.02 0.00 0.53 0.00 0.00 43.42 43.10 2cii n LEU 54 CO 0.46 -1.50 0.26 -0.44 -1.11 0.00 0.00 177.39 175.06 2cii s SER 55 N -0.66 0.61 0.16 1.96 0.01 -1.21 -5.05 113.70 109.51 2cii s SER 55 Ca 0.61 -1.36 -0.16 0.00 1.31 0.00 0.00 55.95 56.35 2cii s SER 55 Cb -0.61 0.72 0.03 0.00 0.21 0.00 0.00 66.02 66.37 2cii s SER 55 CO 0.58 -1.42 0.44 0.72 0.41 0.00 0.00 173.24 173.98 2cii s PHE 56 N -2.86 -0.12 0.58 2.43 -0.71 -1.26 -2.33 117.98 113.71 2cii s PHE 56 Ca 0.26 -0.21 0.09 0.00 -1.04 0.00 0.00 56.93 56.03 2cii s PHE 56 Cb -0.02 0.28 0.08 0.00 -1.21 0.00 0.00 43.02 42.16 2cii s PHE 56 CO 0.17 -0.79 0.76 -1.12 -1.34 0.00 0.00 175.22 172.90 2cii s SER 57 N -2.84 5.03 0.25 1.98 0.01 0.29 -4.94 113.70 113.48 2cii s SER 57 Ca 0.07 -0.91 -0.03 0.00 1.31 0.00 0.00 55.95 56.39 2cii s SER 57 Cb 0.01 0.35 0.52 0.00 0.21 0.00 0.00 66.02 67.11 2cii s SER 57 CO -0.07 -1.34 1.69 0.11 0.41 0.00 0.00 173.24 174.04 2cii h LYS 58 N 0.22 0.29 0.00 12.44 1.57 -2.03 0.48 116.57 129.55 2cii h LYS 58 Ca -0.30 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2cii h LYS 58 Cb 1.29 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2cii h LYS 58 CO 0.42 0.19 0.00 -0.40 -0.57 0.00 0.00 179.45 179.10 2cii n ASP 59 N -5.13 0.00 0.00 0.86 3.85 -1.26 -4.85 116.55 110.02 2cii n ASP 59 Ca 0.16 -1.03 0.00 0.00 -0.71 0.00 0.00 54.79 53.21 2cii n ASP 59 Cb 0.50 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.27 2cii n ASP 59 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 2cii n TRP 60 N -0.74 0.00 -2.62 2.11 7.02 0.17 -5.03 117.44 118.36 2cii n TRP 60 Ca 0.08 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.22 2cii n TRP 60 Cb 0.04 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 28.88 2cii n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2cii s SER 61 N -3.64 6.52 0.44 -0.99 1.04 -1.26 -4.62 113.70 111.18 2cii s SER 61 Ca 0.00 1.87 -0.06 0.00 0.48 0.00 0.00 55.95 58.25 2cii s SER 61 Cb 0.00 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 2cii s SER 61 CO 0.00 -0.65 0.74 -0.36 0.98 0.00 0.00 173.24 173.94 2cii s PHE 62 N -2.01 3.53 -0.06 5.02 0.08 0.11 -0.55 117.98 124.10 2cii s PHE 62 Ca 0.65 0.79 -0.17 0.00 0.12 0.00 0.00 56.93 58.33 2cii s PHE 62 Cb -0.15 -2.27 0.03 0.00 -0.57 0.00 0.00 43.02 40.07 2cii s PHE 62 CO 0.18 -0.16 0.39 1.52 -0.10 0.00 0.00 175.22 177.05 2cii s TYR 63 N -2.57 -0.32 0.05 0.36 -0.85 -0.99 -1.61 117.35 111.41 2cii s TYR 63 Ca 0.47 0.62 -0.04 0.00 -0.52 0.00 0.00 57.07 57.60 2cii s TYR 63 Cb -0.10 0.16 -0.02 0.00 0.38 0.00 0.00 41.96 42.38 2cii s TYR 63 CO 0.40 -0.38 0.06 -0.51 -1.52 0.00 0.00 175.55 173.61 2cii s LEU 64 N -0.89 1.99 -0.17 -3.49 1.43 -0.37 -3.36 118.68 113.82 2cii s LEU 64 Ca -0.10 -0.69 0.01 0.00 -1.03 0.00 0.00 54.13 52.32 2cii s LEU 64 Cb -0.04 0.50 0.02 0.00 0.03 0.00 0.00 46.19 46.70 2cii s LEU 64 CO 0.04 -0.55 -0.19 -0.22 0.23 0.00 0.00 176.35 175.65 2cii s LEU 65 N -2.43 2.17 -0.11 1.79 2.96 -1.26 -2.21 118.68 119.59 2cii s LEU 65 Ca -0.01 -0.63 -0.03 0.00 -0.22 0.00 0.00 54.13 53.25 2cii s LEU 65 Cb 0.02 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 2cii s LEU 65 CO -0.07 0.01 -0.00 -0.31 -1.32 0.00 0.00 176.35 174.66 2cii s TYR 66 N 1.21 3.13 0.16 5.38 2.02 0.18 -0.56 117.35 128.86 2cii s TYR 66 Ca 0.03 0.06 -0.14 0.00 -0.37 0.00 0.00 57.07 56.64 2cii s TYR 66 Cb -0.14 -1.86 0.02 0.00 -0.40 0.00 0.00 41.96 39.58 2cii s TYR 66 CO -0.10 0.31 0.41 1.52 -1.57 0.00 0.00 175.55 176.11 2cii s TYR 67 N -0.44 -0.00 -0.20 2.71 -0.85 -0.38 0.23 117.35 118.42 2cii s TYR 67 Ca 0.08 -0.34 -0.28 0.00 -0.52 0.00 0.00 57.07 56.01 2cii s TYR 67 Cb -0.12 0.22 0.11 0.00 0.38 0.00 0.00 41.96 42.54 2cii s TYR 67 CO 0.02 -0.78 0.91 -0.08 -1.52 0.00 0.00 175.55 174.10 2cii s THR 68 N -3.87 0.00 0.47 -3.49 -1.32 -0.95 -2.03 115.64 104.45 2cii s THR 68 Ca 0.09 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.36 2cii s THR 68 Cb 0.01 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.91 2cii s THR 68 CO -0.05 0.00 1.03 -0.70 -2.21 0.00 0.00 174.62 172.68 2cii s GLU 69 N -0.47 3.89 0.04 7.08 2.12 -1.26 -0.78 118.70 129.32 2cii s GLU 69 Ca -0.02 1.35 -0.28 0.00 0.36 0.00 0.00 54.97 56.39 2cii s GLU 69 Cb -0.03 -2.16 0.09 0.00 0.26 0.00 0.00 34.13 32.30 2cii s GLU 69 CO 0.01 -0.35 0.87 -0.59 -0.54 0.00 0.00 175.26 174.65 2cii s PHE 70 N -1.96 -0.33 -0.31 5.30 -0.71 -1.10 -4.86 117.98 114.01 2cii s PHE 70 Ca 0.66 0.16 0.03 0.00 -1.04 0.00 0.00 56.93 56.73 2cii s PHE 70 Cb -0.16 0.56 0.09 0.00 -1.21 0.00 0.00 43.02 42.29 2cii s PHE 70 CO 0.20 -0.62 0.00 0.99 -1.34 0.00 0.00 175.22 174.45 2cii s THR 71 N -3.21 2.02 0.19 -4.49 2.01 -1.26 -0.17 115.64 110.72 2cii s THR 71 Ca 0.06 -1.95 -0.33 0.00 0.31 0.00 0.00 61.69 59.78 2cii s THR 71 Cb -0.01 -2.38 -0.13 0.00 0.01 0.00 0.00 72.50 69.99 2cii s THR 71 CO -0.08 -0.41 1.66 -0.81 -0.69 0.00 0.00 174.62 174.29 2cii n PRO 72 N 4.40 2.50 -4.44 4.92 -0.04 -1.26 -4.70 135.00 136.38 2cii n PRO 72 Ca -0.03 0.90 -0.27 0.00 -0.04 0.00 0.00 63.50 64.06 2cii n PRO 72 Cb 0.42 -2.71 -0.09 0.00 -0.04 0.00 0.00 33.50 31.08 2cii n PRO 72 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2cii s THR 73 N 1.05 2.00 0.12 0.52 -4.23 -1.26 -1.36 115.64 112.48 2cii s THR 73 Ca 0.77 -1.87 -0.27 0.00 -1.18 0.00 0.00 61.69 59.13 2cii s THR 73 Cb -0.58 -2.87 -0.07 0.00 1.34 0.00 0.00 72.50 70.32 2cii s THR 73 CO 0.35 0.00 1.62 -0.08 -0.54 0.00 0.00 174.62 175.97 2cii h GLU 74 N 1.56 -0.45 0.00 3.99 4.81 -1.97 -3.29 114.58 119.23 2cii h GLU 74 Ca -0.43 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2cii h GLU 74 Cb 1.26 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.74 2cii h GLU 74 CO 0.75 -0.30 -0.78 1.63 -0.73 0.00 0.00 179.01 179.58 2cii n LYS 75 N -5.40 0.02 -1.94 1.92 5.02 -1.26 -4.94 118.16 111.58 2cii n LYS 75 Ca -0.06 -0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.81 2cii n LYS 75 Cb 0.31 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 33.79 2cii n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2cii s ASP 76 N -3.06 6.62 -0.17 4.39 -0.00 -1.24 -4.98 116.67 118.23 2cii s ASP 76 Ca 0.09 2.40 -0.13 0.00 -0.00 0.00 0.00 52.55 54.91 2cii s ASP 76 Cb 0.17 -2.55 -0.05 0.00 -0.00 0.00 0.00 42.92 40.49 2cii s ASP 76 CO 0.79 -0.92 0.24 -1.61 -0.00 0.00 0.00 175.17 173.68 2cii s GLU 77 N 3.42 4.22 0.22 8.23 2.02 -1.26 -4.78 118.70 130.77 2cii s GLU 77 Ca 0.75 0.00 0.11 0.00 0.02 0.00 0.00 54.97 55.86 2cii s GLU 77 Cb -0.37 -3.42 -0.05 0.00 0.10 0.00 0.00 34.13 30.39 2cii s GLU 77 CO 0.32 0.27 -0.22 0.71 0.02 0.00 0.00 175.26 176.36 2cii s TYR 78 N 0.40 2.25 0.32 1.61 2.02 -1.26 0.57 117.35 123.26 2cii s TYR 78 Ca 0.14 -0.36 -0.18 0.00 -0.37 0.00 0.00 57.07 56.30 2cii s TYR 78 Cb -0.12 -1.07 0.03 0.00 -0.40 0.00 0.00 41.96 40.40 2cii s TYR 78 CO 0.02 0.55 0.72 0.00 -1.57 0.00 0.00 175.55 175.27 2cii s ALA 79 N -1.98 -0.87 -0.07 3.71 0.00 -0.86 -0.52 121.76 121.16 2cii s ALA 79 Ca 0.23 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.63 2cii s ALA 79 Cb -0.07 0.81 0.02 0.00 0.00 0.00 0.00 23.12 23.88 2cii s ALA 79 CO 0.11 -0.99 -0.09 0.00 0.00 0.00 0.00 175.76 174.79 2cii s ARG 81 N 0.96 3.71 -0.03 0.00 3.52 0.83 -1.66 118.95 126.27 2cii s ARG 81 Ca -0.09 -0.43 0.01 0.00 -0.13 0.00 0.00 55.73 55.09 2cii s ARG 81 Cb -0.15 -3.02 0.02 0.00 -1.56 0.00 0.00 34.95 30.24 2cii s ARG 81 CO 0.00 0.32 -0.05 0.08 -0.81 0.00 0.00 175.30 174.84 2cii s VAL 82 N 0.19 0.55 -0.02 7.11 1.01 -0.20 0.18 120.40 129.23 2cii s VAL 82 Ca 0.01 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 61.86 2cii s VAL 82 Cb -0.13 -0.55 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 2cii s VAL 82 CO 0.02 0.21 -0.15 0.21 0.00 0.00 0.00 175.10 175.39 2cii s ASN 83 N 0.64 1.85 0.03 3.32 3.84 0.26 -0.54 114.94 124.34 2cii s ASN 83 Ca -0.09 -0.29 -0.22 0.00 0.21 0.00 0.00 52.86 52.48 2cii s ASN 83 Cb -0.12 -0.32 0.05 0.00 -0.55 0.00 0.00 41.25 40.30 2cii s ASN 83 CO 0.00 0.17 0.49 -2.28 -2.79 0.00 0.00 177.10 172.69 2cii s HIS 84 N -0.19 -0.39 0.61 0.43 5.65 -1.26 -0.84 115.29 119.30 2cii s HIS 84 Ca 0.02 0.47 0.28 0.00 0.25 0.00 0.00 55.06 56.09 2cii s HIS 84 Cb -0.08 0.29 1.49 0.00 -1.18 0.00 0.00 32.58 33.10 2cii s HIS 84 CO 0.00 -0.59 1.88 -0.24 -0.65 0.00 0.00 174.74 175.15 2cii h VAL 85 N 3.00 0.25 0.00 0.89 3.04 -1.95 0.85 116.25 122.33 2cii h VAL 85 Ca -0.30 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 2cii h VAL 85 Cb 1.20 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 31.09 2cii h VAL 85 CO 0.41 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.32 2cii n THR 86 N -3.43 0.68 -3.75 3.17 -2.24 -1.26 -4.79 114.28 102.65 2cii n THR 86 Ca 0.05 -0.10 -0.35 0.00 -2.27 0.00 0.00 64.05 61.38 2cii n THR 86 Cb 0.59 -0.80 -0.05 0.00 -2.10 0.00 0.00 70.33 67.97 2cii n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2cii s LEU 87 N -4.55 4.37 0.12 3.22 1.43 0.29 -4.96 118.68 118.60 2cii s LEU 87 Ca 0.08 0.57 0.24 0.00 -1.03 0.00 0.00 54.13 53.99 2cii s LEU 87 Cb 0.11 -2.65 0.35 0.00 0.03 0.00 0.00 46.19 44.03 2cii s LEU 87 CO 0.53 0.26 1.32 -1.20 0.23 0.00 0.00 176.35 177.49 2cii n SER 88 N 1.17 0.71 -3.60 2.29 7.64 -1.26 -4.76 113.62 115.80 2cii n SER 88 Ca -0.12 0.13 -0.13 0.00 1.01 0.00 0.00 58.87 59.77 2cii n SER 88 Cb 0.53 0.14 -0.05 0.00 -1.01 0.00 0.00 64.21 63.82 2cii n SER 88 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2cii s GLN 89 N -3.17 1.02 0.31 1.43 0.74 -1.26 -5.13 119.66 113.60 2cii s GLN 89 Ca 0.06 -0.31 -0.29 0.00 0.05 0.00 0.00 55.36 54.87 2cii s GLN 89 Cb 0.13 0.46 -0.12 0.00 1.10 0.00 0.00 33.01 34.58 2cii s GLN 89 CO 0.72 -0.37 1.48 -2.30 -0.55 0.00 0.00 175.29 174.28 2cii n PRO 90 N 0.35 2.49 -3.36 1.67 -0.02 -1.26 -4.91 135.00 129.95 2cii n PRO 90 Ca -0.18 0.88 -0.38 0.00 -2.02 0.00 0.00 63.50 61.80 2cii n PRO 90 Cb 0.61 -2.59 -0.06 0.00 -0.02 0.00 0.00 33.50 31.43 2cii n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2cii s LYS 91 N -1.15 4.31 -0.17 -0.52 2.36 0.29 -4.90 119.74 119.96 2cii s LYS 91 Ca 0.60 0.36 -0.01 0.00 -2.55 0.00 0.00 55.97 54.37 2cii s LYS 91 Cb -0.53 -3.44 -0.00 0.00 -1.05 0.00 0.00 37.83 32.81 2cii s LYS 91 CO 0.55 0.15 -0.12 0.42 1.55 0.00 0.00 175.35 177.91 2cii s ILE 92 N 0.66 2.88 -0.17 5.43 1.01 -1.26 -1.03 121.20 128.73 2cii s ILE 92 Ca 0.23 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 60.21 2cii s ILE 92 Cb -0.15 -2.25 0.02 0.00 0.01 0.00 0.00 42.46 40.09 2cii s ILE 92 CO 0.09 0.49 -0.20 -0.69 0.00 0.00 0.00 174.94 174.62 2cii s VAL 93 N 1.00 2.08 0.28 2.92 1.01 -0.67 -4.96 120.40 122.06 2cii s VAL 93 Ca -0.01 -0.95 -0.27 0.00 0.00 0.00 0.00 61.98 60.75 2cii s VAL 93 Cb -0.15 -1.86 -0.09 0.00 0.00 0.00 0.00 36.38 34.28 2cii s VAL 93 CO -0.02 0.54 0.92 -0.54 0.00 0.00 0.00 175.10 176.00 2cii s LYS 94 N 1.12 4.66 -0.22 2.72 1.02 -1.26 -0.69 119.74 127.09 2cii s LYS 94 Ca 0.01 1.35 -0.29 0.00 0.02 0.00 0.00 55.97 57.05 2cii s LYS 94 Cb -0.14 -3.00 -0.00 0.00 -0.52 0.00 0.00 37.83 34.17 2cii s LYS 94 CO -0.09 0.39 1.19 -0.46 -0.92 0.00 0.00 175.35 175.46 2cii s TRP 95 N -1.43 2.98 -0.59 3.18 -0.00 0.32 -4.88 118.94 118.52 2cii s TRP 95 Ca 0.46 1.12 -0.04 0.00 -0.00 0.00 0.00 56.10 57.64 2cii s TRP 95 Cb -0.21 -3.53 0.15 0.00 -0.00 0.00 0.00 33.47 29.88 2cii s TRP 95 CO 0.27 -1.29 0.42 0.34 -0.00 0.00 0.00 176.95 176.68 2cii s ASP 96 N 1.88 5.40 0.46 5.86 3.68 -1.26 -4.72 116.67 127.96 2cii s ASP 96 Ca 0.51 -2.62 0.26 0.00 2.13 0.00 0.00 52.55 52.83 2cii s ASP 96 Cb -0.18 -1.89 1.29 0.00 -1.45 0.00 0.00 42.92 40.69 2cii s ASP 96 CO 0.14 -0.44 1.79 0.08 0.13 0.00 0.00 175.17 176.86 2cii h ARG 97 N 7.39 0.21 -0.85 4.34 0.11 -1.94 -1.92 114.38 121.73 2cii h ARG 97 Ca -0.04 -0.01 -0.54 0.00 0.10 0.00 0.00 59.98 59.48 2cii h ARG 97 Cb 0.99 -0.05 -0.29 0.00 1.11 0.00 0.00 29.97 31.73 2cii h ARG 97 CO 0.73 0.14 0.38 -0.25 0.10 0.00 0.00 179.97 181.07 2cii n ASP 98 N -4.45 5.51 0.00 0.08 9.92 -1.26 -4.83 116.55 121.52 2cii n ASP 98 Ca 0.25 -3.75 0.00 0.00 -0.53 0.00 0.00 54.79 50.77 2cii n ASP 98 Cb 1.03 -0.78 0.00 0.00 -0.64 0.00 0.00 41.12 40.72 2cii n ASP 98 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13