#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iia n GLY 5 N 0.00 -0.12 3.15 7.39 0.00 -1.26 -3.92 105.19 110.43 2iia n GLY 5 Ca 0.00 -2.04 -0.10 0.00 0.00 0.00 0.00 46.02 43.88 2iia n GLY 5 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2iia s ARG 6 N 0.00 0.85 0.00 1.61 0.52 -0.20 -4.69 118.95 117.04 2iia s ARG 6 Ca 0.00 -1.38 0.24 0.00 -0.52 0.00 0.00 55.73 54.07 2iia s ARG 6 Cb 0.00 0.10 0.21 0.00 0.52 0.00 0.00 34.95 35.78 2iia s ARG 6 CO 0.00 -0.16 1.23 0.25 0.02 0.00 0.00 175.30 176.63 2iia n THR 7 N -0.05 0.00 -3.81 0.02 -2.24 -1.26 -1.25 114.28 105.69 2iia n THR 7 Ca -0.09 -0.24 -0.19 0.00 -2.27 0.00 0.00 64.05 61.26 2iia n THR 7 Cb 0.62 1.05 -0.17 0.00 -2.10 0.00 0.00 70.33 69.73 2iia n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2iia s TRP 9 N 1.59 1.47 0.04 0.00 0.52 -0.15 -5.00 118.94 117.41 2iia s TRP 9 Ca -0.02 -0.35 0.05 0.00 0.02 0.00 0.00 56.10 55.81 2iia s TRP 9 Cb -0.13 -0.89 -0.02 0.00 -1.15 0.00 0.00 33.47 31.29 2iia s TRP 9 CO -0.03 0.05 -0.15 0.00 0.02 0.00 0.00 176.95 176.84 2iia s ALA 10 N -0.76 1.27 -0.23 0.98 0.00 -1.26 -0.53 121.76 121.23 2iia s ALA 10 Ca 0.04 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.15 2iia s ALA 10 Cb -0.08 -0.21 0.06 0.00 0.00 0.00 0.00 23.12 22.89 2iia s ALA 10 CO 0.01 0.25 -0.03 0.42 0.00 0.00 0.00 175.76 176.41 2iia s ILE 11 N -0.82 1.38 -0.94 0.00 1.01 0.91 -5.00 121.20 117.75 2iia s ILE 11 Ca 0.03 -1.15 0.28 0.00 0.00 0.00 0.00 60.65 59.81 2iia s ILE 11 Cb -0.08 -1.70 0.22 0.00 0.01 0.00 0.00 42.46 40.92 2iia s ILE 11 CO 0.01 -0.14 1.84 0.00 0.00 0.00 0.00 174.94 176.65 2iia n ALA 12 N 4.72 2.44 -3.72 9.38 0.00 -1.26 -0.74 120.51 131.33 2iia n ALA 12 Ca -0.11 -0.11 -0.18 0.00 0.00 0.00 0.00 53.44 53.04 2iia n ALA 12 Cb 0.44 -1.43 -0.17 0.00 0.00 0.00 0.00 19.45 18.29 2iia n ALA 12 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2iia s GLU 13 N -3.02 -0.05 0.05 0.00 2.56 -1.26 -4.35 118.70 112.64 2iia s GLU 13 Ca 0.13 0.29 0.01 0.00 0.00 0.00 0.00 54.97 55.40 2iia s GLU 13 Cb 0.17 -0.40 -0.03 0.00 2.00 0.00 0.00 34.13 35.87 2iia s GLU 13 CO 0.56 -0.26 -0.06 0.20 -0.56 0.00 0.00 175.26 175.15 2iia s GLY 14 N 1.67 0.51 -0.28 -1.50 0.00 0.16 -4.94 107.32 102.95 2iia s GLY 14 Ca -0.01 -0.96 -0.18 0.00 0.00 0.00 0.00 44.72 43.57 2iia s GLY 14 CO -0.03 -1.04 0.79 -0.47 0.00 0.00 0.00 173.10 172.35 2iia s TYR 15 N -2.44 -0.86 -0.24 1.90 5.04 -1.26 -1.25 117.35 118.24 2iia s TYR 15 Ca -0.02 1.78 -0.03 0.00 -2.44 0.00 0.00 57.07 56.36 2iia s TYR 15 Cb -0.03 0.50 0.01 0.00 0.35 0.00 0.00 41.96 42.80 2iia s TYR 15 CO -0.03 -0.43 -0.05 0.42 -1.34 0.00 0.00 175.55 174.12 2iia s ILE 16 N 1.32 3.08 0.47 3.14 1.01 -1.26 -4.59 121.20 124.36 2iia s ILE 16 Ca -0.08 -0.83 -0.23 0.00 0.00 0.00 0.00 60.65 59.51 2iia s ILE 16 Cb -0.05 -2.50 -0.07 0.00 0.01 0.00 0.00 42.46 39.85 2iia s ILE 16 CO -0.15 0.27 1.17 -2.16 0.00 0.00 0.00 174.94 174.07 2iia s PRO 17 N 1.38 3.71 0.00 2.79 0.04 -1.26 0.93 135.00 142.59 2iia s PRO 17 Ca 0.02 1.77 -0.02 0.00 0.04 0.00 0.00 61.00 62.81 2iia s PRO 17 Cb -0.16 -2.37 -0.10 0.00 0.04 0.00 0.00 34.50 31.91 2iia s PRO 17 CO -0.04 -0.59 2.37 -0.35 0.04 0.00 0.00 177.00 178.43 2iia n PRO 18 N -0.57 1.24 0.00 0.56 -0.04 -1.26 -4.59 135.00 130.34 2iia n PRO 18 Ca 0.08 -0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.16 2iia n PRO 18 Cb 0.48 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 2iia n PRO 18 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2iia n GLU 31 N 2.00 0.00 -3.84 0.54 4.07 -1.26 -5.01 120.64 117.14 2iia n GLU 31 Ca 0.16 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 57.14 2iia n GLU 31 Cb 0.59 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 31.83 2iia n GLU 31 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 2iia s THR 32 N 0.00 -0.01 -0.17 6.31 2.01 -0.88 -0.97 115.64 121.93 2iia s THR 32 Ca 0.00 0.04 -0.03 0.00 0.31 0.00 0.00 61.69 62.01 2iia s THR 32 Cb 0.00 -0.08 -0.02 0.00 0.01 0.00 0.00 72.50 72.42 2iia s THR 32 CO 0.00 0.02 -0.06 0.68 -0.69 0.00 0.00 174.62 174.57 2iia s VAL 33 N 0.25 3.56 -0.21 3.82 -7.23 -0.67 -0.20 120.40 119.73 2iia s VAL 33 Ca -0.02 -0.46 -0.14 0.00 -1.81 0.00 0.00 61.98 59.54 2iia s VAL 33 Cb -0.03 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 2iia s VAL 33 CO -0.01 0.48 0.34 0.00 -0.31 0.00 0.00 175.10 175.59 2iia s ILE 35 N 1.17 2.61 -0.11 0.00 1.01 -0.13 -1.18 121.20 124.57 2iia s ILE 35 Ca 0.16 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 59.96 2iia s ILE 35 Cb -0.14 -1.99 0.01 0.00 0.01 0.00 0.00 42.46 40.35 2iia s ILE 35 CO 0.07 0.58 -0.21 -0.22 0.00 0.00 0.00 174.94 175.16 2iia s LEU 36 N -0.52 1.98 -0.51 2.97 2.96 0.70 -0.76 118.68 125.49 2iia s LEU 36 Ca 0.07 -0.53 -0.05 0.00 -0.22 0.00 0.00 54.13 53.41 2iia s LEU 36 Cb -0.11 -1.31 0.13 0.00 0.50 0.00 0.00 46.19 45.40 2iia s LEU 36 CO 0.01 0.09 0.34 0.21 -1.32 0.00 0.00 176.35 175.68 2iia s ASN 37 N 0.66 5.42 0.00 3.68 2.47 -0.66 -1.14 114.94 125.37 2iia s ASN 37 Ca -0.12 -2.30 0.30 0.00 0.42 0.00 0.00 52.86 51.16 2iia s ASN 37 Cb -0.16 -1.89 1.41 0.00 -1.45 0.00 0.00 41.25 39.16 2iia s ASN 37 CO 0.03 -0.52 1.97 0.00 -3.72 0.00 0.00 177.10 174.86 2iia n ALA 38 N 4.28 2.65 -1.94 1.71 0.00 -1.26 -0.82 120.51 125.12 2iia n ALA 38 Ca 0.00 -0.21 -0.27 0.00 0.00 0.00 0.00 53.44 52.96 2iia n ALA 38 Cb 0.40 -1.41 0.13 0.00 0.00 0.00 0.00 19.45 18.57 2iia n ALA 38 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2iia s GLY 39 N -2.45 1.74 0.00 0.00 0.00 -1.26 -4.56 107.32 100.78 2iia s GLY 39 Ca 0.31 -1.21 0.27 0.00 0.00 0.00 0.00 44.72 44.09 2iia s GLY 39 CO 0.46 -0.59 1.61 1.22 0.00 0.00 0.00 173.10 175.79 2iia n ASP 40 N -3.31 1.83 -4.60 1.64 8.00 -1.26 -2.00 116.55 116.85 2iia n ASP 40 Ca 0.13 -1.58 -0.31 0.00 0.71 0.00 0.00 54.79 53.74 2iia n ASP 40 Cb 0.60 0.02 -0.10 0.00 -0.02 0.00 0.00 41.12 41.62 2iia n ASP 40 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2iia s GLU 41 N -2.04 2.37 0.47 -1.24 2.02 -1.26 -4.80 118.70 114.22 2iia s GLU 41 Ca 0.34 -0.87 -0.24 0.00 0.02 0.00 0.00 54.97 54.23 2iia s GLU 41 Cb 0.21 -2.42 -0.07 0.00 0.10 0.00 0.00 34.13 31.95 2iia s GLU 41 CO 0.34 0.55 1.28 -0.51 0.02 0.00 0.00 175.26 176.94 2iia s ASP 42 N -1.85 5.95 -0.28 -0.19 1.01 -1.26 -3.98 116.67 116.06 2iia s ASP 42 Ca 0.20 2.58 -0.13 0.00 0.71 0.00 0.00 52.55 55.91 2iia s ASP 42 Cb -0.11 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.15 2iia s ASP 42 CO 0.11 -1.09 0.28 0.00 0.21 0.00 0.00 175.17 174.68 2iia s ALA 43 N -1.37 3.54 -0.59 5.23 0.00 0.15 -4.83 121.76 123.88 2iia s ALA 43 Ca 0.63 -1.00 -0.20 0.00 0.00 0.00 0.00 51.96 51.40 2iia s ALA 43 Cb -0.36 -2.61 0.09 0.00 0.00 0.00 0.00 23.12 20.24 2iia s ALA 43 CO 0.44 -0.66 0.74 -1.01 0.00 0.00 0.00 175.76 175.27 2iia s HIS 44 N 1.91 2.95 -0.02 0.00 3.76 -1.26 -0.22 115.29 122.40 2iia s HIS 44 Ca 0.11 -0.84 -0.02 0.00 -0.15 0.00 0.00 55.06 54.16 2iia s HIS 44 Cb -0.16 -4.00 -0.04 0.00 1.11 0.00 0.00 32.58 29.49 2iia s HIS 44 CO 0.11 -1.32 0.13 0.08 -0.85 0.00 0.00 174.74 172.88 2iia s VAL 45 N 2.91 5.08 -0.13 -0.90 1.01 0.55 -3.02 120.40 125.90 2iia s VAL 45 Ca 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 2iia s VAL 45 Cb -0.22 -3.34 0.04 0.00 0.00 0.00 0.00 36.38 32.86 2iia s VAL 45 CO 0.08 0.36 -0.00 -1.61 0.00 0.00 0.00 175.10 173.93 2iia s GLU 46 N -1.75 0.81 -0.11 2.72 2.02 0.33 -1.55 118.70 121.17 2iia s GLU 46 Ca 0.24 -0.18 -0.05 0.00 0.02 0.00 0.00 54.97 55.00 2iia s GLU 46 Cb -0.12 -1.54 -0.04 0.00 0.10 0.00 0.00 34.13 32.53 2iia s GLU 46 CO 0.15 -0.43 0.07 0.42 0.02 0.00 0.00 175.26 175.49 2iia s ILE 47 N 1.87 4.87 -0.08 -1.63 1.01 0.62 -1.12 121.20 126.73 2iia s ILE 47 Ca 0.02 -0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.68 2iia s ILE 47 Cb -0.14 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.23 2iia s ILE 47 CO -0.07 0.59 -0.19 -0.89 0.00 0.00 0.00 174.94 174.38 2iia s THR 48 N -0.74 1.64 -0.20 2.92 2.01 -0.29 0.22 115.64 121.21 2iia s THR 48 Ca 0.12 -0.78 -0.10 0.00 0.31 0.00 0.00 61.69 61.24 2iia s THR 48 Cb -0.12 -1.44 -0.05 0.00 0.01 0.00 0.00 72.50 70.90 2iia s THR 48 CO 0.03 0.47 0.14 -0.63 -0.69 0.00 0.00 174.62 173.94 2iia s ILE 49 N 0.44 5.40 0.15 1.82 -1.09 0.26 -1.39 121.20 126.78 2iia s ILE 49 Ca -0.16 0.22 0.06 0.00 -2.23 0.00 0.00 60.65 58.54 2iia s ILE 49 Cb -0.17 -3.48 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 2iia s ILE 49 CO 0.06 0.44 0.01 -0.31 -1.23 0.00 0.00 174.94 173.91 2iia s TYR 50 N 0.36 2.91 0.21 3.97 2.02 0.19 -1.04 117.35 125.98 2iia s TYR 50 Ca 0.09 -0.09 0.02 0.00 -0.37 0.00 0.00 57.07 56.71 2iia s TYR 50 Cb -0.11 -1.44 -0.05 0.00 -0.40 0.00 0.00 41.96 39.96 2iia s TYR 50 CO -0.01 0.50 0.05 0.71 -1.57 0.00 0.00 175.55 175.22 2iia s TYR 51 N -1.59 1.37 -0.47 2.71 2.02 -1.26 -1.36 117.35 118.77 2iia s TYR 51 Ca 0.27 -1.09 0.23 0.00 -0.37 0.00 0.00 57.07 56.11 2iia s TYR 51 Cb -0.10 -0.79 0.39 0.00 -0.40 0.00 0.00 41.96 41.06 2iia s TYR 51 CO 0.19 -0.27 1.61 0.66 -1.57 0.00 0.00 175.55 176.17 2iia h SER 52 N 2.55 0.00 0.00 2.29 4.64 -1.99 -3.39 113.55 117.64 2iia h SER 52 Ca -0.37 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2iia h SER 52 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2iia h SER 52 CO 0.62 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.68 2iia n ASP 53 N -2.96 0.00 -4.01 4.97 5.75 -1.26 -5.10 116.55 113.95 2iia n ASP 53 Ca 0.04 -1.00 -0.10 0.00 -0.01 0.00 0.00 54.79 53.72 2iia n ASP 53 Cb 0.52 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.54 2iia n ASP 53 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2iia s LYS 54 N 0.00 1.31 0.75 0.11 -2.85 -1.26 -5.16 119.74 112.64 2iia s LYS 54 Ca 0.00 -1.27 -0.14 0.00 -1.00 0.00 0.00 55.97 53.56 2iia s LYS 54 Cb 0.00 0.40 0.05 0.00 -2.06 0.00 0.00 37.83 36.22 2iia s LYS 54 CO 0.00 -0.50 1.19 -1.21 0.10 0.00 0.00 175.35 174.93 2iia s GLU 55 N -4.02 2.06 0.68 1.78 0.41 -1.26 -4.26 118.70 114.09 2iia s GLU 55 Ca 0.22 1.70 -0.15 0.00 -0.41 0.00 0.00 54.97 56.33 2iia s GLU 55 Cb 0.02 -1.83 0.01 0.00 -1.78 0.00 0.00 34.13 30.56 2iia s GLU 55 CO 0.05 -1.88 1.16 -1.25 -0.49 0.00 0.00 175.26 172.84 2iia s PRO 56 N -4.03 2.54 -0.12 0.39 0.04 -1.26 -4.75 135.00 127.82 2iia s PRO 56 Ca 0.73 1.58 0.01 0.00 0.04 0.00 0.00 61.00 63.36 2iia s PRO 56 Cb -0.28 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 2iia s PRO 56 CO 0.47 -1.49 -0.16 0.08 0.04 0.00 0.00 177.00 175.94 2iia s VAL 57 N -2.13 2.77 -5.00 -0.36 1.01 -0.20 -4.96 120.40 111.52 2iia s VAL 57 Ca 0.71 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2iia s VAL 57 Cb -0.25 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.00 2iia s VAL 57 CO 0.42 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.67 2iia n GLY 58 N 3.45 -0.77 3.77 4.51 0.00 -1.26 -0.58 105.19 114.31 2iia n GLY 58 Ca -0.18 -1.49 -0.38 0.00 0.00 0.00 0.00 46.02 43.97 2iia n GLY 58 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2iia s PRO 59 N -1.91 4.60 -0.22 1.61 0.04 -1.26 -4.97 135.00 132.88 2iia s PRO 59 Ca 0.00 1.40 -0.21 0.00 0.04 0.00 0.00 61.00 62.23 2iia s PRO 59 Cb 0.00 -2.89 -0.02 0.00 0.04 0.00 0.00 34.50 31.63 2iia s PRO 59 CO 0.00 0.29 0.66 0.71 0.04 0.00 0.00 177.00 178.69 2iia s TYR 60 N -1.52 3.33 -0.11 0.56 1.51 0.13 -4.39 117.35 116.87 2iia s TYR 60 Ca 0.49 0.92 -0.03 0.00 -1.01 0.00 0.00 57.07 57.44 2iia s TYR 60 Cb -0.21 -2.85 -0.03 0.00 -0.11 0.00 0.00 41.96 38.76 2iia s TYR 60 CO 0.26 -0.26 -0.02 1.03 -1.11 0.00 0.00 175.55 175.46 2iia s ARG 61 N 2.26 3.26 0.13 -0.62 0.52 -1.26 -0.28 118.95 122.96 2iia s ARG 61 Ca 0.29 -0.46 -0.12 0.00 -0.52 0.00 0.00 55.73 54.92 2iia s ARG 61 Cb -0.16 -2.84 0.01 0.00 0.52 0.00 0.00 34.95 32.49 2iia s ARG 61 CO 0.09 0.51 0.31 -0.48 0.02 0.00 0.00 175.30 175.75 2iia s LEU 62 N -0.35 0.88 -0.16 2.53 0.05 -0.60 -5.02 118.68 116.01 2iia s LEU 62 Ca 0.06 -0.59 -0.02 0.00 0.05 0.00 0.00 54.13 53.63 2iia s LEU 62 Cb -0.12 1.42 -0.02 0.00 -2.05 0.00 0.00 46.19 45.42 2iia s LEU 62 CO 0.02 -0.84 -0.07 -0.89 -0.55 0.00 0.00 176.35 174.02 2iia s THR 63 N -3.87 3.49 -0.32 5.48 2.01 -1.26 -0.33 115.64 120.83 2iia s THR 63 Ca 0.08 -0.49 -0.09 0.00 0.31 0.00 0.00 61.69 61.49 2iia s THR 63 Cb 0.03 -2.52 0.00 0.00 0.01 0.00 0.00 72.50 70.03 2iia s THR 63 CO -0.08 0.49 0.15 -0.69 -0.69 0.00 0.00 174.62 173.80 2iia s VAL 64 N 0.56 4.48 0.58 3.82 1.01 0.69 -4.97 120.40 126.57 2iia s VAL 64 Ca -0.05 -0.55 -0.20 0.00 0.00 0.00 0.00 61.98 61.18 2iia s VAL 64 Cb -0.15 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2iia s VAL 64 CO 0.03 0.01 1.28 -2.84 0.00 0.00 0.00 175.10 173.58 2iia s PRO 65 N 1.58 2.96 -0.01 2.72 0.02 -1.26 0.31 135.00 141.32 2iia s PRO 65 Ca 0.04 2.04 -0.40 0.00 0.02 0.00 0.00 61.00 62.70 2iia s PRO 65 Cb -0.17 -2.05 -0.20 0.00 0.02 0.00 0.00 34.50 32.10 2iia s PRO 65 CO 0.06 -1.28 1.12 0.00 -0.33 0.00 0.00 177.00 176.57 2iia n ALA 66 N -1.41 -3.25 -3.44 -1.55 0.00 -1.26 -2.74 120.51 106.86 2iia n ALA 66 Ca 0.13 0.59 -0.22 0.00 0.00 0.00 0.00 53.44 53.93 2iia n ALA 66 Cb 0.47 -1.81 0.07 0.00 0.00 0.00 0.00 19.45 18.19 2iia n ALA 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2iia n ARG 67 N 1.72 -7.05 -4.13 0.00 1.74 -0.00 -5.00 116.66 103.93 2iia n ARG 67 Ca 0.20 0.80 -0.09 0.00 -0.77 0.00 0.00 57.85 57.99 2iia n ARG 67 Cb 0.09 -5.69 -0.10 0.00 -1.02 0.00 0.00 32.46 25.74 2iia n ARG 67 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2iia s ARG 68 N -6.14 0.72 0.39 5.56 1.81 -0.91 -4.98 118.95 115.40 2iia s ARG 68 Ca 0.51 -1.26 0.03 0.00 -1.72 0.00 0.00 55.73 53.29 2iia s ARG 68 Cb -0.22 -0.00 -0.01 0.00 -0.45 0.00 0.00 34.95 34.26 2iia s ARG 68 CO 0.63 -0.06 0.57 0.95 -0.68 0.00 0.00 175.30 176.71 2iia s THR 69 N -3.70 4.16 -0.15 0.02 -4.23 -1.26 -1.65 115.64 108.82 2iia s THR 69 Ca 0.09 -0.71 -0.08 0.00 -1.18 0.00 0.00 61.69 59.80 2iia s THR 69 Cb 0.06 -3.50 0.05 0.00 1.34 0.00 0.00 72.50 70.46 2iia s THR 69 CO -0.07 -0.28 0.35 -0.75 -0.54 0.00 0.00 174.62 173.33 2iia s LYS 70 N -4.37 0.34 -0.08 3.99 2.20 0.06 -4.91 119.74 116.97 2iia s LYS 70 Ca 0.46 0.67 -0.14 0.00 -0.36 0.00 0.00 55.97 56.60 2iia s LYS 70 Cb -0.10 -0.03 -0.05 0.00 -1.51 0.00 0.00 37.83 36.15 2iia s LYS 70 CO 0.35 -0.15 0.36 -1.01 -0.36 0.00 0.00 175.35 174.54 2iia s HIS 71 N 1.21 3.59 -0.20 4.03 3.76 -1.26 -0.95 115.29 125.47 2iia s HIS 71 Ca -0.08 0.81 0.01 0.00 -0.15 0.00 0.00 55.06 55.66 2iia s HIS 71 Cb -0.08 -2.33 0.03 0.00 1.11 0.00 0.00 32.58 31.31 2iia s HIS 71 CO -0.10 0.44 -0.18 0.08 -0.85 0.00 0.00 174.74 174.13 2iia s VAL 72 N -0.27 2.07 -0.19 -0.90 1.01 -0.28 -4.99 120.40 116.86 2iia s VAL 72 Ca 0.21 -1.10 -0.26 0.00 0.00 0.00 0.00 61.98 60.83 2iia s VAL 72 Cb -0.15 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 2iia s VAL 72 CO 0.09 0.40 0.87 -0.13 0.00 0.00 0.00 175.10 176.33 2iia s ARG 73 N 1.25 4.28 0.48 2.72 0.52 -1.26 -1.67 118.95 125.27 2iia s ARG 73 Ca 0.02 1.08 0.18 0.00 -0.52 0.00 0.00 55.73 56.49 2iia s ARG 73 Cb -0.15 -3.60 1.20 0.00 0.52 0.00 0.00 34.95 32.93 2iia s ARG 73 CO -0.11 -0.41 2.01 0.74 0.02 0.00 0.00 175.30 177.55 2iia h PHE 74 N 7.40 0.21 0.00 -0.53 0.04 -1.45 0.21 116.94 122.83 2iia h PHE 74 Ca -0.27 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.50 2iia h PHE 74 Cb 1.11 -0.07 -0.00 0.00 2.20 0.00 0.00 35.95 39.19 2iia h PHE 74 CO 0.73 0.10 -0.03 -0.97 -0.60 0.00 0.00 178.31 177.54 2iia h ASN 75 N 0.20 0.00 0.54 2.17 -1.24 -1.93 -2.80 115.58 112.52 2iia h ASN 75 Ca 0.23 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.24 2iia h ASN 75 Cb 0.63 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.68 2iia h ASN 75 CO -0.04 0.03 -0.61 0.47 -1.29 0.00 0.00 177.43 175.99 2iia n ASP 76 N -3.20 0.57 -4.76 1.15 8.00 0.73 -4.91 116.55 114.14 2iia n ASP 76 Ca -0.01 -0.21 -0.41 0.00 0.71 0.00 0.00 54.79 54.87 2iia n ASP 76 Cb 0.21 0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 41.61 2iia n ASP 76 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2iia s LEU 77 N -3.34 4.46 0.00 0.64 1.43 -1.06 -4.91 118.68 115.91 2iia s LEU 77 Ca 0.09 2.46 0.00 0.00 -1.03 0.00 0.00 54.13 55.66 2iia s LEU 77 Cb 0.16 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.75 2iia s LEU 77 CO 0.72 -0.41 0.00 -0.46 0.23 0.00 0.00 176.35 176.43 2iia n ASN 78 N 1.49 0.00 -3.76 2.29 0.23 -1.26 -4.19 115.26 110.06 2iia n ASN 78 Ca 0.02 -0.70 -0.28 0.00 -0.53 0.00 0.00 54.58 53.09 2iia n ASN 78 Cb 0.43 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 37.97 2iia n ASN 78 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2iia s ASP 79 N 0.00 3.01 0.44 0.53 2.15 -1.26 -2.24 116.67 119.30 2iia s ASP 79 Ca 0.00 -0.86 0.23 0.00 0.43 0.00 0.00 52.55 52.36 2iia s ASP 79 Cb 0.00 -0.66 0.41 0.00 -0.30 0.00 0.00 42.92 42.38 2iia s ASP 79 CO 0.00 -0.30 1.63 1.55 -0.17 0.00 0.00 175.17 177.88 2iia h PRO 80 N 8.21 0.00 -1.90 4.34 0.13 -1.94 -3.40 132.00 137.44 2iia h PRO 80 Ca -0.16 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.00 2iia h PRO 80 Cb 1.11 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.05 2iia h PRO 80 CO 0.34 0.03 0.41 0.00 -0.23 0.00 0.00 178.00 178.56 2iia s ALA 81 N -3.24 -1.84 0.52 -0.56 0.00 -0.95 -5.12 121.76 110.57 2iia s ALA 81 Ca 0.06 1.34 -0.22 0.00 0.00 0.00 0.00 51.96 53.14 2iia s ALA 81 Cb 0.06 -0.21 -0.06 0.00 0.00 0.00 0.00 23.12 22.91 2iia s ALA 81 CO 0.66 -0.42 1.31 -1.25 0.00 0.00 0.00 175.76 176.06 2iia s PRO 82 N -1.63 3.33 -0.11 0.00 0.04 -1.25 -4.23 135.00 131.14 2iia s PRO 82 Ca -0.03 2.11 -0.30 0.00 0.04 0.00 0.00 61.00 62.82 2iia s PRO 82 Cb -0.00 -2.31 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 2iia s PRO 82 CO 0.01 -1.00 1.13 0.42 0.04 0.00 0.00 177.00 177.61 2iia s ILE 83 N -1.37 4.47 0.54 0.56 1.01 -1.26 -5.00 121.20 120.15 2iia s ILE 83 Ca 0.69 1.77 -0.21 0.00 0.00 0.00 0.00 60.65 62.90 2iia s ILE 83 Cb -0.37 -4.14 -0.05 0.00 0.01 0.00 0.00 42.46 37.91 2iia s ILE 83 CO 0.44 -0.04 1.29 -2.16 0.00 0.00 0.00 174.94 174.46 2iia s PRO 84 N 2.49 3.20 0.80 2.79 0.04 -1.26 -4.99 135.00 138.07 2iia s PRO 84 Ca 0.52 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 63.49 2iia s PRO 84 Cb -0.21 -2.20 0.07 0.00 0.04 0.00 0.00 34.50 32.20 2iia s PRO 84 CO 0.18 -1.09 1.16 -1.01 0.04 0.00 0.00 177.00 176.28 2iia s HIS 85 N -1.41 2.99 -1.55 0.56 3.76 -1.26 -4.15 115.29 114.23 2iia s HIS 85 Ca 0.72 0.81 -0.12 0.00 -0.15 0.00 0.00 55.06 56.32 2iia s HIS 85 Cb -0.36 -3.41 0.09 0.00 1.11 0.00 0.00 32.58 30.01 2iia s HIS 85 CO 0.42 -1.70 0.82 -3.47 -0.85 0.00 0.00 174.74 169.95 2iia n ASP 86 N -3.29 -3.36 -3.71 1.40 2.03 0.26 -4.91 116.55 104.98 2iia n ASP 86 Ca 0.08 -0.89 -0.16 0.00 0.52 0.00 0.00 54.79 54.34 2iia n ASP 86 Cb 0.60 -3.43 -0.16 0.00 -0.72 0.00 0.00 41.12 37.41 2iia n ASP 86 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2iia s THR 87 N -3.43 -0.14 0.16 5.18 2.01 -1.26 -5.02 115.64 113.15 2iia s THR 87 Ca 0.53 0.30 -0.30 0.00 0.31 0.00 0.00 61.69 62.53 2iia s THR 87 Cb -0.28 -0.21 -0.07 0.00 0.01 0.00 0.00 72.50 71.95 2iia s THR 87 CO 0.87 0.13 1.07 -1.81 -0.69 0.00 0.00 174.62 174.18 2iia s ASP 88 N 1.76 7.32 0.24 3.53 1.01 -1.26 -4.32 116.67 124.95 2iia s ASP 88 Ca -0.02 2.02 0.01 0.00 0.71 0.00 0.00 52.55 55.28 2iia s ASP 88 Cb -0.12 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.17 2iia s ASP 88 CO -0.05 -0.18 0.16 0.72 0.21 0.00 0.00 175.17 176.03 2iia s PHE 89 N -0.18 1.37 0.31 4.23 -0.12 -0.38 -4.62 117.98 118.58 2iia s PHE 89 Ca 0.49 -1.41 0.05 0.00 -0.05 0.00 0.00 56.93 56.01 2iia s PHE 89 Cb -0.28 -0.67 -0.06 0.00 -0.63 0.00 0.00 43.02 41.38 2iia s PHE 89 CO 0.34 -0.63 0.01 0.00 -0.05 0.00 0.00 175.22 174.89 2iia s ALA 90 N -3.91 2.33 -0.03 1.99 0.00 -0.47 0.40 121.76 122.07 2iia s ALA 90 Ca 0.39 -1.99 -0.05 0.00 0.00 0.00 0.00 51.96 50.30 2iia s ALA 90 Cb 0.06 0.48 0.01 0.00 0.00 0.00 0.00 23.12 23.67 2iia s ALA 90 CO 0.16 -0.22 0.12 -1.54 0.00 0.00 0.00 175.76 174.28 2iia s SER 91 N -3.46 -0.07 -0.12 0.00 1.04 0.08 -0.63 113.70 110.53 2iia s SER 91 Ca 0.33 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.85 2iia s SER 91 Cb 0.07 0.24 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 2iia s SER 91 CO 0.14 -0.15 -0.13 -0.69 0.98 0.00 0.00 173.24 173.39 2iia s VAL 92 N -0.42 3.04 -0.18 5.02 1.01 -0.49 -0.06 120.40 128.32 2iia s VAL 92 Ca -0.05 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.26 2iia s VAL 92 Cb -0.03 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 34.09 2iia s VAL 92 CO 0.00 0.53 -0.18 -0.63 0.00 0.00 0.00 175.10 174.83 2iia s ILE 93 N 0.25 2.28 0.09 2.22 1.01 0.31 -1.14 121.20 126.22 2iia s ILE 93 Ca -0.09 -0.87 0.10 0.00 0.00 0.00 0.00 60.65 59.79 2iia s ILE 93 Cb -0.15 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 2iia s ILE 93 CO 0.05 0.52 -0.26 -1.10 0.00 0.00 0.00 174.94 174.15 2iia s GLN 94 N 1.28 1.57 0.02 2.79 -0.21 -0.28 -0.98 119.66 123.85 2iia s GLN 94 Ca 0.04 -1.22 -0.03 0.00 0.02 0.00 0.00 55.36 54.17 2iia s GLN 94 Cb -0.13 -1.90 -0.01 0.00 1.00 0.00 0.00 33.01 31.96 2iia s GLN 94 CO -0.11 0.47 0.04 0.45 -2.12 0.00 0.00 175.29 174.02 2iia s SER 95 N -1.66 0.18 0.51 5.90 0.15 -0.30 -0.51 113.70 117.97 2iia s SER 95 Ca 0.13 -0.44 0.30 0.00 0.70 0.00 0.00 55.95 56.63 2iia s SER 95 Cb -0.10 0.15 1.02 0.00 -1.71 0.00 0.00 66.02 65.38 2iia s SER 95 CO 0.04 -0.36 1.85 -0.55 1.20 0.00 0.00 173.24 175.42 2iia h ASN 96 N 4.33 0.00 -4.07 5.45 -1.07 -1.84 -3.45 115.58 114.93 2iia h ASN 96 Ca -0.32 0.00 -0.39 0.00 0.07 0.00 0.00 56.30 55.66 2iia h ASN 96 Cb 1.20 0.00 -0.18 0.00 -2.07 0.00 0.00 38.32 37.27 2iia h ASN 96 CO 0.43 0.00 -0.75 0.68 0.07 0.00 0.00 177.43 177.86 2iia s VAL 97 N -3.51 1.26 0.26 6.14 -7.23 -1.26 -5.05 120.40 111.02 2iia s VAL 97 Ca 0.03 -1.74 -0.30 0.00 -1.81 0.00 0.00 61.98 58.16 2iia s VAL 97 Cb 0.08 -1.54 -0.11 0.00 0.56 0.00 0.00 36.38 35.37 2iia s VAL 97 CO 0.58 -0.47 1.59 -2.84 -0.31 0.00 0.00 175.10 173.65 2iia s PRO 98 N -2.80 4.15 0.26 4.82 0.02 -1.26 -4.56 135.00 135.63 2iia s PRO 98 Ca 0.09 2.52 0.02 0.00 0.02 0.00 0.00 61.00 63.65 2iia s PRO 98 Cb -0.04 -3.05 -0.05 0.00 0.02 0.00 0.00 34.50 31.38 2iia s PRO 98 CO 0.02 -0.61 0.08 0.96 -0.33 0.00 0.00 177.00 177.13 2iia s ILE 99 N 0.25 0.66 -0.09 2.83 -4.36 -0.38 -4.68 121.20 115.42 2iia s ILE 99 Ca 0.65 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 59.08 2iia s ILE 99 Cb -0.47 -2.63 0.00 0.00 1.25 0.00 0.00 42.46 40.61 2iia s ILE 99 CO 0.44 -0.03 -0.23 -0.69 0.24 0.00 0.00 174.94 174.67 2iia s VAL 100 N -3.68 1.96 -0.05 8.37 1.01 -0.29 -1.03 120.40 126.69 2iia s VAL 100 Ca 0.37 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.43 2iia s VAL 100 Cb 0.08 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 2iia s VAL 100 CO 0.13 0.54 -0.20 -0.69 0.00 0.00 0.00 175.10 174.88 2iia s VAL 101 N 0.33 1.67 -0.04 2.92 1.01 -1.26 -0.22 120.40 124.81 2iia s VAL 101 Ca -0.17 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 60.97 2iia s VAL 101 Cb -0.17 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.79 2iia s VAL 101 CO 0.08 0.47 -0.10 -1.58 0.00 0.00 0.00 175.10 173.97 2iia s GLN 102 N -0.09 1.29 -0.20 2.72 0.74 -0.32 -4.98 119.66 118.82 2iia s GLN 102 Ca -0.02 -0.35 -0.17 0.00 0.05 0.00 0.00 55.36 54.87 2iia s GLN 102 Cb -0.12 -1.14 -0.04 0.00 1.10 0.00 0.00 33.01 32.81 2iia s GLN 102 CO 0.02 0.07 0.44 -1.58 -0.55 0.00 0.00 175.29 173.70 2iia s HIS 103 N 0.43 3.38 -0.31 1.67 5.65 -1.26 -0.40 115.29 124.45 2iia s HIS 103 Ca -0.08 0.68 0.02 0.00 0.25 0.00 0.00 55.06 55.93 2iia s HIS 103 Cb -0.12 -2.57 0.02 0.00 -1.18 0.00 0.00 32.58 28.72 2iia s HIS 103 CO 0.02 -0.03 0.58 0.25 -0.65 0.00 0.00 174.74 174.90