#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ii8 s LEU 2 N 0.00 4.31 -0.33 -3.43 2.96 -1.26 -5.00 118.68 115.93 2ii8 s LEU 2 Ca 0.00 2.09 0.00 0.00 -0.22 0.00 0.00 54.13 56.00 2ii8 s LEU 2 Cb 0.00 -3.56 0.08 0.00 0.50 0.00 0.00 46.19 43.21 2ii8 s LEU 2 CO 0.00 -0.71 0.05 -0.55 -1.32 0.00 0.00 176.35 173.81 2ii8 s SER 3 N 1.88 4.89 -0.02 3.68 0.15 -1.26 -3.90 113.70 119.12 2ii8 s SER 3 Ca 0.63 -1.71 0.04 0.00 0.70 0.00 0.00 55.95 55.61 2ii8 s SER 3 Cb -0.31 -1.70 -0.01 0.00 -1.71 0.00 0.00 66.02 62.30 2ii8 s SER 3 CO 0.26 -0.35 -0.14 -0.63 1.20 0.00 0.00 173.24 173.58 2ii8 s ILE 4 N 1.11 1.12 0.00 6.45 1.01 -1.26 -5.08 121.20 124.55 2ii8 s ILE 4 Ca 0.02 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.08 2ii8 s ILE 4 Cb -0.20 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.32 2ii8 s ILE 4 CO -0.04 0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.83 2ii8 n GLY 5 N 2.90 0.10 3.75 6.18 0.00 -1.26 -3.87 105.19 112.99 2ii8 n GLY 5 Ca -0.16 -1.91 -0.08 0.00 0.00 0.00 0.00 46.02 43.88 2ii8 n GLY 5 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ii8 s ARG 6 N 0.00 1.76 0.00 1.61 1.70 -0.28 -4.70 118.95 119.04 2ii8 s ARG 6 Ca 0.00 -1.16 0.26 0.00 -0.47 0.00 0.00 55.73 54.36 2ii8 s ARG 6 Cb 0.00 0.56 0.71 0.00 -0.57 0.00 0.00 34.95 35.65 2ii8 s ARG 6 CO 0.00 -0.78 1.54 0.25 -1.08 0.00 0.00 175.30 175.23 2ii8 n THR 7 N -0.45 0.00 -3.67 4.99 -2.24 -1.26 -1.89 114.28 109.76 2ii8 n THR 7 Ca -0.03 -0.08 -0.16 0.00 -2.27 0.00 0.00 64.05 61.51 2ii8 n THR 7 Cb 0.60 0.30 -0.15 0.00 -2.10 0.00 0.00 70.33 68.99 2ii8 n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ii8 s TRP 9 N 2.29 1.41 -0.06 0.00 0.52 0.17 -4.98 118.94 118.29 2ii8 s TRP 9 Ca 0.02 -0.31 0.05 0.00 0.02 0.00 0.00 56.10 55.88 2ii8 s TRP 9 Cb -0.12 -0.87 -0.01 0.00 -1.15 0.00 0.00 33.47 31.32 2ii8 s TRP 9 CO -0.06 0.02 -0.21 0.00 0.02 0.00 0.00 176.95 176.71 2ii8 s ALA 10 N -0.60 1.86 -0.27 0.98 0.00 -1.26 0.79 121.76 123.26 2ii8 s ALA 10 Ca 0.05 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.13 2ii8 s ALA 10 Cb -0.07 -0.62 0.03 0.00 0.00 0.00 0.00 23.12 22.47 2ii8 s ALA 10 CO 0.00 0.33 -0.04 0.42 0.00 0.00 0.00 175.76 176.47 2ii8 s ILE 11 N 0.02 2.91 -0.67 0.00 1.01 0.12 -4.99 121.20 119.61 2ii8 s ILE 11 Ca -0.06 -1.15 0.26 0.00 0.00 0.00 0.00 60.65 59.69 2ii8 s ILE 11 Cb -0.14 -2.55 0.28 0.00 0.01 0.00 0.00 42.46 40.07 2ii8 s ILE 11 CO 0.04 0.09 1.76 0.00 0.00 0.00 0.00 174.94 176.83 2ii8 n ALA 12 N 4.65 2.16 -2.40 9.38 0.00 -1.26 -1.04 120.51 131.99 2ii8 n ALA 12 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.01 2ii8 n ALA 12 Cb 0.46 -1.46 -0.14 0.00 0.00 0.00 0.00 19.45 18.31 2ii8 n ALA 12 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2ii8 s GLU 13 N -3.15 1.48 -0.27 0.00 2.56 -1.26 -4.44 118.70 113.62 2ii8 s GLU 13 Ca 0.09 -1.22 -0.26 0.00 0.00 0.00 0.00 54.97 53.59 2ii8 s GLU 13 Cb 0.11 -1.82 0.15 0.00 2.00 0.00 0.00 34.13 34.58 2ii8 s GLU 13 CO 0.56 0.45 1.19 0.20 -0.56 0.00 0.00 175.26 177.10 2ii8 s GLY 14 N -1.71 0.02 -0.30 -1.50 0.00 -0.26 -4.74 107.32 98.84 2ii8 s GLY 14 Ca 0.12 2.89 -0.14 0.00 0.00 0.00 0.00 44.72 47.59 2ii8 s GLY 14 CO 0.04 1.70 0.87 -0.47 0.00 0.00 0.00 173.10 175.24 2ii8 s TYR 15 N -0.13 -0.87 -0.33 1.90 6.14 -1.26 -0.96 117.35 121.84 2ii8 s TYR 15 Ca 0.04 1.56 -0.10 0.00 0.64 0.00 0.00 57.07 59.21 2ii8 s TYR 15 Cb -0.04 0.52 -0.00 0.00 0.42 0.00 0.00 41.96 42.86 2ii8 s TYR 15 CO -0.08 -0.43 0.18 0.42 0.64 0.00 0.00 175.55 176.27 2ii8 s ILE 16 N 2.32 4.71 0.00 3.14 1.01 -1.26 -4.66 121.20 126.46 2ii8 s ILE 16 Ca -0.05 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.11 2ii8 s ILE 16 Cb -0.07 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 38.94 2ii8 s ILE 16 CO -0.18 -0.02 0.00 -0.81 0.00 0.00 0.00 174.94 173.94 2ii8 n PRO 17 N 5.01 0.00 0.21 2.79 -0.04 -1.26 0.21 135.00 141.91 2ii8 n PRO 17 Ca -0.13 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.38 2ii8 n PRO 17 Cb 0.48 -0.12 0.46 0.00 -0.04 0.00 0.00 33.50 34.29 2ii8 n PRO 17 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 2ii8 h PRO 25 N 0.00 0.00 -3.29 0.54 0.11 -2.14 -3.41 132.00 123.81 2ii8 h PRO 25 Ca 0.00 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.52 2ii8 h PRO 25 Cb 0.00 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 30.71 2ii8 h PRO 25 CO 0.00 0.28 -0.76 -1.14 -0.21 0.00 0.00 178.00 176.17 2ii8 s GLN 26 N -4.22 0.80 0.20 1.05 -0.44 -1.26 -5.05 119.66 110.75 2ii8 s GLN 26 Ca -0.03 -1.29 -0.23 0.00 -2.50 0.00 0.00 55.36 51.32 2ii8 s GLN 26 Cb 0.14 -1.96 0.05 0.00 -1.64 0.00 0.00 33.01 29.60 2ii8 s GLN 26 CO 0.69 -1.05 0.74 -0.06 0.50 0.00 0.00 175.29 176.11 2ii8 s PHE 27 N 1.29 -0.29 -0.01 1.67 0.08 -1.26 -5.20 117.98 114.26 2ii8 s PHE 27 Ca 0.12 -0.05 0.00 0.00 0.12 0.00 0.00 56.93 57.13 2ii8 s PHE 27 Cb -0.19 0.64 0.02 0.00 -0.57 0.00 0.00 43.02 42.91 2ii8 s PHE 27 CO -0.17 -1.01 0.00 0.96 -0.10 0.00 0.00 175.22 174.90 2ii8 s ILE 28 N -3.70 0.10 -0.54 0.64 -5.25 -1.26 -5.09 121.20 106.10 2ii8 s ILE 28 Ca 0.08 0.05 0.07 0.00 -0.99 0.00 0.00 60.65 59.86 2ii8 s ILE 28 Cb -0.03 -0.16 0.31 0.00 2.95 0.00 0.00 42.46 45.53 2ii8 s ILE 28 CO -0.01 0.08 0.81 -1.20 -1.79 0.00 0.00 174.94 172.84 2ii8 n SER 29 N 3.67 3.19 -4.79 4.36 7.64 -1.26 -5.02 113.62 121.42 2ii8 n SER 29 Ca -0.21 -3.40 -0.38 0.00 1.01 0.00 0.00 58.87 55.89 2ii8 n SER 29 Cb 0.54 -0.61 -0.06 0.00 -1.01 0.00 0.00 64.21 63.07 2ii8 n SER 29 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2ii8 s HIS 30 N -2.77 3.79 -0.03 1.43 3.76 -1.26 -4.96 115.29 115.25 2ii8 s HIS 30 Ca 0.43 1.61 -0.32 0.00 -0.15 0.00 0.00 55.06 56.63 2ii8 s HIS 30 Cb 0.24 -2.77 -0.10 0.00 1.11 0.00 0.00 32.58 31.06 2ii8 s HIS 30 CO -0.09 0.40 1.94 0.39 -0.85 0.00 0.00 174.74 176.53 2ii8 n GLU 31 N 1.12 2.53 -4.69 1.40 -0.58 -1.26 -4.93 120.64 114.22 2ii8 n GLU 31 Ca -0.03 0.92 -0.27 0.00 -0.42 0.00 0.00 57.16 57.36 2ii8 n GLU 31 Cb 0.50 -2.85 -0.17 0.00 -0.57 0.00 0.00 31.44 28.35 2ii8 n GLU 31 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2ii8 s THR 32 N 4.41 1.39 -0.22 2.62 2.01 -1.26 -1.59 115.64 123.00 2ii8 s THR 32 Ca 0.91 -0.62 -0.16 0.00 0.31 0.00 0.00 61.69 62.13 2ii8 s THR 32 Cb -0.55 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.67 2ii8 s THR 32 CO 0.46 0.41 0.42 -0.69 -0.69 0.00 0.00 174.62 174.54 2ii8 s VAL 33 N 0.66 5.17 -0.25 3.82 1.01 0.11 -0.88 120.40 130.03 2ii8 s VAL 33 Ca -0.14 0.73 -0.11 0.00 0.00 0.00 0.00 61.98 62.46 2ii8 s VAL 33 Cb -0.16 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 2ii8 s VAL 33 CO 0.04 0.20 0.17 0.00 0.00 0.00 0.00 175.10 175.51 2ii8 s ILE 35 N 1.27 2.65 -0.14 0.00 1.01 -0.06 -0.89 121.20 125.03 2ii8 s ILE 35 Ca 0.07 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.88 2ii8 s ILE 35 Cb -0.14 -2.01 0.01 0.00 0.01 0.00 0.00 42.46 40.33 2ii8 s ILE 35 CO 0.06 0.58 -0.21 -0.22 0.00 0.00 0.00 174.94 175.15 2ii8 s LEU 36 N -0.55 2.08 -0.59 2.97 2.96 0.21 -0.94 118.68 124.82 2ii8 s LEU 36 Ca 0.08 -0.60 -0.11 0.00 -0.22 0.00 0.00 54.13 53.28 2ii8 s LEU 36 Cb -0.11 -1.42 0.15 0.00 0.50 0.00 0.00 46.19 45.31 2ii8 s LEU 36 CO 0.01 0.07 0.49 0.21 -1.32 0.00 0.00 176.35 175.81 2ii8 s ASN 37 N 0.86 5.97 0.00 3.68 2.47 0.65 -0.88 114.94 127.70 2ii8 s ASN 37 Ca -0.06 -2.23 0.30 0.00 0.42 0.00 0.00 52.86 51.29 2ii8 s ASN 37 Cb -0.15 -2.07 1.43 0.00 -1.45 0.00 0.00 41.25 39.01 2ii8 s ASN 37 CO -0.03 -0.64 1.96 0.00 -3.72 0.00 0.00 177.10 174.67 2ii8 n ALA 38 N 4.52 2.66 -1.95 1.71 0.00 -1.26 -1.10 120.51 125.08 2ii8 n ALA 38 Ca -0.01 -0.31 -0.26 0.00 0.00 0.00 0.00 53.44 52.85 2ii8 n ALA 38 Cb 0.42 -1.34 0.11 0.00 0.00 0.00 0.00 19.45 18.64 2ii8 n ALA 38 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ii8 s GLY 39 N -2.09 1.74 0.00 0.00 0.00 -1.25 -4.53 107.32 101.19 2ii8 s GLY 39 Ca 0.40 -1.29 0.27 0.00 0.00 0.00 0.00 44.72 44.11 2ii8 s GLY 39 CO 0.38 -0.73 1.65 1.22 0.00 0.00 0.00 173.10 175.62 2ii8 n ASP 40 N -3.12 1.49 -4.26 1.64 8.00 -1.26 -1.07 116.55 117.98 2ii8 n ASP 40 Ca 0.12 -1.37 -0.29 0.00 0.71 0.00 0.00 54.79 53.96 2ii8 n ASP 40 Cb 0.60 0.05 -0.16 0.00 -0.02 0.00 0.00 41.12 41.59 2ii8 n ASP 40 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2ii8 s GLU 41 N -2.14 1.84 0.49 -1.24 2.12 -1.26 -4.80 118.70 113.71 2ii8 s GLU 41 Ca 0.33 -0.83 -0.24 0.00 0.36 0.00 0.00 54.97 54.60 2ii8 s GLU 41 Cb 0.20 -1.79 -0.07 0.00 0.26 0.00 0.00 34.13 32.74 2ii8 s GLU 41 CO 0.39 0.49 1.40 -0.51 -0.54 0.00 0.00 175.26 176.49 2ii8 s ASP 42 N -0.57 5.63 -0.32 -1.70 1.01 -1.26 -4.19 116.67 115.26 2ii8 s ASP 42 Ca 0.09 2.86 -0.15 0.00 0.71 0.00 0.00 52.55 56.05 2ii8 s ASP 42 Cb -0.09 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 41.18 2ii8 s ASP 42 CO -0.01 -1.34 0.38 0.00 0.21 0.00 0.00 175.17 174.42 2ii8 s ALA 43 N -1.24 3.51 -0.70 5.23 0.00 0.81 -4.84 121.76 124.53 2ii8 s ALA 43 Ca 0.65 -1.08 -0.23 0.00 0.00 0.00 0.00 51.96 51.30 2ii8 s ALA 43 Cb -0.42 -2.82 0.07 0.00 0.00 0.00 0.00 23.12 19.95 2ii8 s ALA 43 CO 0.53 -0.98 1.02 -1.01 0.00 0.00 0.00 175.76 175.32 2ii8 s HIS 44 N 2.08 2.66 0.17 0.00 3.76 -1.26 -0.80 115.29 121.90 2ii8 s HIS 44 Ca 0.13 -0.57 -0.14 0.00 -0.15 0.00 0.00 55.06 54.34 2ii8 s HIS 44 Cb -0.16 -4.34 -0.07 0.00 1.11 0.00 0.00 32.58 29.12 2ii8 s HIS 44 CO 0.11 -1.69 0.56 0.08 -0.85 0.00 0.00 174.74 172.95 2ii8 s VAL 45 N 4.16 4.86 -0.10 -0.90 1.01 -0.02 -3.26 120.40 126.14 2ii8 s VAL 45 Ca 0.25 0.77 -0.01 0.00 0.00 0.00 0.00 61.98 63.00 2ii8 s VAL 45 Cb -0.15 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.55 2ii8 s VAL 45 CO 0.09 0.17 -0.04 -1.61 0.00 0.00 0.00 175.10 173.70 2ii8 s GLU 46 N -2.16 1.12 -0.19 2.72 2.02 0.13 -2.56 118.70 119.78 2ii8 s GLU 46 Ca 0.40 -0.11 -0.10 0.00 0.02 0.00 0.00 54.97 55.19 2ii8 s GLU 46 Cb -0.14 -1.34 -0.05 0.00 0.10 0.00 0.00 34.13 32.70 2ii8 s GLU 46 CO 0.20 -0.29 0.13 0.42 0.02 0.00 0.00 175.26 175.74 2ii8 s ILE 47 N 1.82 5.42 -0.12 -1.63 1.01 0.48 -1.47 121.20 126.71 2ii8 s ILE 47 Ca 0.05 0.19 -0.01 0.00 0.00 0.00 0.00 60.65 60.88 2ii8 s ILE 47 Cb -0.13 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 38.86 2ii8 s ILE 47 CO -0.07 0.47 -0.09 -0.89 0.00 0.00 0.00 174.94 174.36 2ii8 s THR 48 N 0.15 3.49 -0.16 2.92 2.01 0.03 -0.51 115.64 123.56 2ii8 s THR 48 Ca 0.09 -0.52 -0.05 0.00 0.31 0.00 0.00 61.69 61.52 2ii8 s THR 48 Cb -0.11 -2.47 -0.03 0.00 0.01 0.00 0.00 72.50 69.89 2ii8 s THR 48 CO -0.01 0.53 0.01 -0.63 -0.69 0.00 0.00 174.62 173.83 2ii8 s ILE 49 N 0.04 4.34 0.07 1.82 -1.09 0.02 -1.23 121.20 125.18 2ii8 s ILE 49 Ca -0.02 -0.20 0.08 0.00 -2.23 0.00 0.00 60.65 58.28 2ii8 s ILE 49 Cb -0.14 -2.92 -0.04 0.00 -1.58 0.00 0.00 42.46 37.79 2ii8 s ILE 49 CO 0.03 0.50 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.74 2ii8 s TYR 50 N 0.19 2.51 0.17 3.97 1.51 0.51 -0.92 117.35 125.29 2ii8 s TYR 50 Ca 0.01 -0.28 0.04 0.00 -1.01 0.00 0.00 57.07 55.83 2ii8 s TYR 50 Cb -0.13 -1.40 -0.05 0.00 -0.11 0.00 0.00 41.96 40.27 2ii8 s TYR 50 CO 0.02 0.30 -0.07 0.71 -1.11 0.00 0.00 175.55 175.39 2ii8 s TYR 51 N -1.00 1.34 0.29 2.71 2.02 -1.26 -0.79 117.35 120.66 2ii8 s TYR 51 Ca 0.16 -0.81 0.22 0.00 -0.37 0.00 0.00 57.07 56.26 2ii8 s TYR 51 Cb -0.10 -0.71 1.01 0.00 -0.40 0.00 0.00 41.96 41.75 2ii8 s TYR 51 CO 0.07 0.04 1.89 0.66 -1.57 0.00 0.00 175.55 176.64 2ii8 h SER 52 N 2.70 0.00 0.00 2.29 4.64 -1.99 -3.39 113.55 117.80 2ii8 h SER 52 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2ii8 h SER 52 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2ii8 h SER 52 CO 0.64 0.25 -0.24 -0.90 -0.87 0.00 0.00 176.83 175.71 2ii8 n ASP 53 N -3.65 0.00 -3.89 4.97 5.68 -1.26 -5.10 116.55 113.30 2ii8 n ASP 53 Ca -0.01 -1.48 -0.09 0.00 -0.50 0.00 0.00 54.79 52.71 2ii8 n ASP 53 Cb 0.38 -0.10 -0.05 0.00 -1.14 0.00 0.00 41.12 40.21 2ii8 n ASP 53 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2ii8 s LYS 54 N 0.00 1.42 0.63 0.11 -2.85 -1.26 -5.15 119.74 112.64 2ii8 s LYS 54 Ca 0.00 -1.08 -0.17 0.00 -1.00 0.00 0.00 55.97 53.72 2ii8 s LYS 54 Cb 0.00 0.48 -0.01 0.00 -2.06 0.00 0.00 37.83 36.23 2ii8 s LYS 54 CO 0.00 -0.59 1.17 -1.21 0.10 0.00 0.00 175.35 174.82 2ii8 s GLU 55 N -3.95 2.79 0.69 1.78 0.41 -1.26 -4.28 118.70 114.88 2ii8 s GLU 55 Ca 0.16 1.67 -0.16 0.00 -0.41 0.00 0.00 54.97 56.24 2ii8 s GLU 55 Cb -0.00 -1.92 0.02 0.00 -1.78 0.00 0.00 34.13 30.44 2ii8 s GLU 55 CO 0.03 -1.31 1.19 -1.25 -0.49 0.00 0.00 175.26 173.43 2ii8 s PRO 56 N -3.64 2.44 -0.11 0.39 0.04 -1.26 -4.76 135.00 128.09 2ii8 s PRO 56 Ca 0.73 1.71 0.01 0.00 0.04 0.00 0.00 61.00 63.49 2ii8 s PRO 56 Cb -0.27 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 2ii8 s PRO 56 CO 0.37 -1.60 -0.15 0.08 0.04 0.00 0.00 177.00 175.75 2ii8 s VAL 57 N -1.97 2.91 -5.00 -0.36 1.01 -0.10 -4.94 120.40 111.96 2ii8 s VAL 57 Ca 0.74 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.99 2ii8 s VAL 57 Cb -0.28 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 33.91 2ii8 s VAL 57 CO 0.42 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.67 2ii8 n GLY 58 N 3.32 -0.49 3.74 4.51 0.00 -1.26 -0.80 105.19 114.21 2ii8 n GLY 58 Ca -0.18 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 2ii8 n GLY 58 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ii8 s PRO 59 N -2.00 4.56 -0.25 1.61 0.04 -1.26 -4.96 135.00 132.73 2ii8 s PRO 59 Ca 0.00 1.76 -0.28 0.00 0.04 0.00 0.00 61.00 62.52 2ii8 s PRO 59 Cb 0.00 -3.27 0.01 0.00 0.04 0.00 0.00 34.50 31.28 2ii8 s PRO 59 CO 0.00 0.01 0.98 0.71 0.04 0.00 0.00 177.00 178.74 2ii8 s TYR 60 N -0.12 3.29 -0.08 0.56 1.51 0.33 -4.41 117.35 118.43 2ii8 s TYR 60 Ca 0.51 1.30 -0.04 0.00 -1.01 0.00 0.00 57.07 57.83 2ii8 s TYR 60 Cb -0.30 -3.29 -0.04 0.00 -0.11 0.00 0.00 41.96 38.23 2ii8 s TYR 60 CO 0.35 -0.51 0.11 1.03 -1.11 0.00 0.00 175.55 175.41 2ii8 s ARG 61 N 3.18 3.28 0.11 -0.62 0.52 -1.26 -0.39 118.95 123.77 2ii8 s ARG 61 Ca 0.41 -0.28 -0.25 0.00 -0.52 0.00 0.00 55.73 55.10 2ii8 s ARG 61 Cb -0.15 -3.04 0.08 0.00 0.52 0.00 0.00 34.95 32.37 2ii8 s ARG 61 CO 0.08 0.72 0.70 -0.48 0.02 0.00 0.00 175.30 176.35 2ii8 s LEU 62 N -1.26 -0.49 -0.08 2.53 0.05 -1.06 -5.03 118.68 113.34 2ii8 s LEU 62 Ca 0.18 -0.02 0.05 0.00 0.05 0.00 0.00 54.13 54.39 2ii8 s LEU 62 Cb -0.12 2.41 -0.01 0.00 -2.05 0.00 0.00 46.19 46.42 2ii8 s LEU 62 CO 0.08 -0.87 -0.24 -0.89 -0.55 0.00 0.00 176.35 173.88 2ii8 s THR 63 N -3.54 2.10 -0.31 5.48 2.01 -1.26 -0.84 115.64 119.27 2ii8 s THR 63 Ca 0.03 -1.03 -0.06 0.00 0.31 0.00 0.00 61.69 60.94 2ii8 s THR 63 Cb -0.01 -1.78 0.03 0.00 0.01 0.00 0.00 72.50 70.75 2ii8 s THR 63 CO -0.11 0.56 0.07 -0.69 -0.69 0.00 0.00 174.62 173.77 2ii8 s VAL 64 N 0.06 3.71 0.87 3.82 1.01 0.02 -4.97 120.40 124.92 2ii8 s VAL 64 Ca -0.10 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 60.80 2ii8 s VAL 64 Cb -0.16 -3.01 0.12 0.00 0.00 0.00 0.00 36.38 33.34 2ii8 s VAL 64 CO 0.06 -0.03 1.16 -2.84 0.00 0.00 0.00 175.10 173.45 2ii8 s PRO 65 N 1.42 1.30 -0.01 2.72 0.02 -1.26 -0.14 135.00 139.06 2ii8 s PRO 65 Ca -0.00 1.60 -0.38 0.00 0.02 0.00 0.00 61.00 62.24 2ii8 s PRO 65 Cb -0.18 -1.75 -0.18 0.00 0.02 0.00 0.00 34.50 32.41 2ii8 s PRO 65 CO 0.02 -2.43 1.34 0.00 -0.33 0.00 0.00 177.00 175.59 2ii8 n ALA 66 N -3.86 -1.56 -3.70 -1.55 0.00 -1.26 -2.25 120.51 106.32 2ii8 n ALA 66 Ca 0.12 0.52 -0.24 0.00 0.00 0.00 0.00 53.44 53.84 2ii8 n ALA 66 Cb 0.52 -2.01 0.05 0.00 0.00 0.00 0.00 19.45 18.01 2ii8 n ALA 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ii8 n ARG 67 N 2.70 -6.00 -4.09 0.00 1.74 -0.23 -4.98 116.66 105.79 2ii8 n ARG 67 Ca 0.20 0.69 -0.08 0.00 -0.77 0.00 0.00 57.85 57.90 2ii8 n ARG 67 Cb 0.14 -5.53 -0.10 0.00 -1.02 0.00 0.00 32.46 25.96 2ii8 n ARG 67 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2ii8 s ARG 68 N -6.14 0.71 0.28 5.56 1.81 -0.63 -4.98 118.95 115.56 2ii8 s ARG 68 Ca 0.32 -1.26 0.09 0.00 -1.72 0.00 0.00 55.73 53.16 2ii8 s ARG 68 Cb -0.15 0.23 -0.04 0.00 -0.45 0.00 0.00 34.95 34.53 2ii8 s ARG 68 CO 0.79 -0.16 0.07 -0.08 -0.68 0.00 0.00 175.30 175.24 2ii8 s THR 69 N -3.95 3.60 -0.17 0.02 -1.32 -1.26 -0.25 115.64 112.31 2ii8 s THR 69 Ca 0.11 -1.75 -0.14 0.00 -1.21 0.00 0.00 61.69 58.70 2ii8 s THR 69 Cb 0.08 -3.00 0.05 0.00 -1.51 0.00 0.00 72.50 68.11 2ii8 s THR 69 CO -0.07 -0.33 0.44 -0.75 -2.21 0.00 0.00 174.62 171.70 2ii8 s LYS 70 N -3.75 0.49 -0.22 7.08 2.20 -0.12 -4.93 119.74 120.50 2ii8 s LYS 70 Ca 0.33 0.67 -0.07 0.00 -0.36 0.00 0.00 55.97 56.55 2ii8 s LYS 70 Cb -0.06 0.18 -0.03 0.00 -1.51 0.00 0.00 37.83 36.41 2ii8 s LYS 70 CO 0.22 -0.09 0.04 -1.01 -0.36 0.00 0.00 175.35 174.15 2ii8 s HIS 71 N 0.55 3.10 -0.21 4.03 3.76 -1.26 -0.89 115.29 124.37 2ii8 s HIS 71 Ca -0.03 -0.31 -0.03 0.00 -0.15 0.00 0.00 55.06 54.54 2ii8 s HIS 71 Cb -0.04 -2.15 -0.01 0.00 1.11 0.00 0.00 32.58 31.49 2ii8 s HIS 71 CO -0.03 -0.19 -0.06 0.08 -0.85 0.00 0.00 174.74 173.69 2ii8 s VAL 72 N 1.11 3.25 -0.17 -0.90 1.01 0.18 -4.96 120.40 119.92 2ii8 s VAL 72 Ca 0.04 -0.54 -0.22 0.00 0.00 0.00 0.00 61.98 61.26 2ii8 s VAL 72 Cb -0.14 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 2ii8 s VAL 72 CO 0.03 0.44 0.66 -0.13 0.00 0.00 0.00 175.10 176.09 2ii8 s ARG 73 N 1.44 4.27 0.35 2.72 0.52 -1.26 0.04 118.95 127.01 2ii8 s ARG 73 Ca 0.05 0.70 0.03 0.00 -0.52 0.00 0.00 55.73 55.99 2ii8 s ARG 73 Cb -0.14 -3.55 0.65 0.00 0.52 0.00 0.00 34.95 32.43 2ii8 s ARG 73 CO -0.04 -0.18 1.99 0.74 0.02 0.00 0.00 175.30 177.83 2ii8 h PHE 74 N 7.30 0.82 -0.76 -0.53 0.04 -1.68 -0.40 116.94 121.74 2ii8 h PHE 74 Ca -0.33 0.02 0.19 0.00 2.80 0.00 0.00 57.97 60.65 2ii8 h PHE 74 Cb 1.15 -0.27 -0.04 0.00 2.20 0.00 0.00 35.95 38.99 2ii8 h PHE 74 CO 0.70 0.49 0.52 -0.97 -0.60 0.00 0.00 178.31 178.45 2ii8 h ASN 75 N 0.86 0.17 0.46 2.17 -0.00 -1.93 -2.35 115.58 114.96 2ii8 h ASN 75 Ca 0.27 0.01 0.00 0.00 -0.00 0.00 0.00 56.30 56.58 2ii8 h ASN 75 Cb 0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 2ii8 h ASN 75 CO -0.07 0.08 -0.14 0.47 -0.00 0.00 0.00 177.43 177.77 2ii8 n ASP 76 N -4.40 0.42 -4.73 1.15 8.00 -0.16 -4.86 116.55 111.97 2ii8 n ASP 76 Ca 0.15 -0.40 -0.41 0.00 0.71 0.00 0.00 54.79 54.84 2ii8 n ASP 76 Cb 0.70 -0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 41.67 2ii8 n ASP 76 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2ii8 s LEU 77 N -2.60 4.51 0.00 0.64 1.02 -0.89 -4.90 118.68 116.47 2ii8 s LEU 77 Ca 0.25 1.94 0.00 0.00 0.02 0.00 0.00 54.13 56.34 2ii8 s LEU 77 Cb 0.20 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 42.81 2ii8 s LEU 77 CO 0.51 -0.11 0.00 -0.46 0.02 0.00 0.00 176.35 176.31 2ii8 n ASN 78 N 2.47 0.00 -4.15 2.29 2.04 -1.26 -4.11 115.26 112.54 2ii8 n ASN 78 Ca 0.02 0.00 -0.34 0.00 -0.44 0.00 0.00 54.58 53.82 2ii8 n ASN 78 Cb 0.48 0.00 -0.15 0.00 -2.53 0.00 0.00 39.78 37.58 2ii8 n ASN 78 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 2ii8 s ASP 79 N 0.00 4.09 0.28 0.53 2.15 -1.26 -1.18 116.67 121.27 2ii8 s ASP 79 Ca 0.00 -0.96 0.26 0.00 0.43 0.00 0.00 52.55 52.28 2ii8 s ASP 79 Cb 0.00 -1.60 0.78 0.00 -0.30 0.00 0.00 42.92 41.80 2ii8 s ASP 79 CO 0.00 -0.12 1.75 1.55 -0.17 0.00 0.00 175.17 178.18 2ii8 h PRO 80 N 7.94 0.00 -1.76 4.34 0.13 -1.93 -3.39 132.00 137.33 2ii8 h PRO 80 Ca -0.32 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.87 2ii8 h PRO 80 Cb 1.10 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.02 2ii8 h PRO 80 CO 0.56 0.00 0.48 0.00 -0.23 0.00 0.00 178.00 178.81 2ii8 s ALA 81 N -3.18 -1.89 0.71 -0.56 0.00 -0.33 -5.13 121.76 111.39 2ii8 s ALA 81 Ca 0.09 1.44 -0.14 0.00 0.00 0.00 0.00 51.96 53.35 2ii8 s ALA 81 Cb 0.10 -0.40 0.03 0.00 0.00 0.00 0.00 23.12 22.85 2ii8 s ALA 81 CO 0.58 -0.39 1.14 -2.14 0.00 0.00 0.00 175.76 174.95 2ii8 s PRO 82 N -1.48 2.41 -0.18 0.00 0.02 -1.24 -4.09 135.00 130.42 2ii8 s PRO 82 Ca -0.02 1.48 -0.21 0.00 0.02 0.00 0.00 61.00 62.27 2ii8 s PRO 82 Cb -0.00 -1.89 -0.03 0.00 0.02 0.00 0.00 34.50 32.59 2ii8 s PRO 82 CO 0.01 -1.57 0.61 0.42 -0.33 0.00 0.00 177.00 176.14 2ii8 s ILE 83 N -2.33 5.05 0.43 2.83 1.01 -1.26 -5.01 121.20 121.92 2ii8 s ILE 83 Ca 0.68 1.16 -0.26 0.00 0.00 0.00 0.00 60.65 62.23 2ii8 s ILE 83 Cb -0.23 -3.93 -0.09 0.00 0.01 0.00 0.00 42.46 38.22 2ii8 s ILE 83 CO 0.46 0.15 1.39 -0.81 0.00 0.00 0.00 174.94 176.12 2ii8 n PRO 84 N 4.80 2.23 -2.04 2.79 -0.04 -1.26 -4.99 135.00 136.49 2ii8 n PRO 84 Ca -0.02 0.79 -0.28 0.00 -0.04 0.00 0.00 63.50 63.95 2ii8 n PRO 84 Cb 0.50 -2.56 0.10 0.00 -0.04 0.00 0.00 33.50 31.50 2ii8 n PRO 84 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2ii8 s HIS 85 N -1.18 2.66 -1.58 0.54 3.76 -1.26 -4.00 115.29 114.23 2ii8 s HIS 85 Ca 0.60 0.52 -0.16 0.00 -0.15 0.00 0.00 55.06 55.87 2ii8 s HIS 85 Cb -0.48 -3.47 0.14 0.00 1.11 0.00 0.00 32.58 29.88 2ii8 s HIS 85 CO 0.59 -1.78 0.72 -3.47 -0.85 0.00 0.00 174.74 169.95 2ii8 n ASP 86 N -3.23 -3.44 -3.82 1.40 2.03 0.55 -4.93 116.55 105.10 2ii8 n ASP 86 Ca 0.09 -0.84 -0.21 0.00 0.52 0.00 0.00 54.79 54.35 2ii8 n ASP 86 Cb 0.61 -2.82 -0.17 0.00 -0.72 0.00 0.00 41.12 38.01 2ii8 n ASP 86 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2ii8 s THR 87 N -3.17 0.42 0.20 5.18 2.01 -1.26 -5.03 115.64 113.99 2ii8 s THR 87 Ca 0.66 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 62.38 2ii8 s THR 87 Cb -0.36 -0.52 -0.09 0.00 0.01 0.00 0.00 72.50 71.54 2ii8 s THR 87 CO 0.81 0.23 1.37 -1.81 -0.69 0.00 0.00 174.62 174.54 2ii8 s ASP 88 N 1.46 6.81 0.29 3.53 1.01 -1.26 -4.22 116.67 124.29 2ii8 s ASP 88 Ca -0.03 2.47 -0.01 0.00 0.71 0.00 0.00 52.55 55.69 2ii8 s ASP 88 Cb -0.13 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.17 2ii8 s ASP 88 CO -0.03 -0.60 0.34 0.72 0.21 0.00 0.00 175.17 175.81 2ii8 s PHE 89 N 0.25 1.15 0.15 4.23 -0.71 -0.13 -4.45 117.98 118.47 2ii8 s PHE 89 Ca 0.59 -1.32 0.00 0.00 -1.04 0.00 0.00 56.93 55.16 2ii8 s PHE 89 Cb -0.38 -0.31 -0.04 0.00 -1.21 0.00 0.00 43.02 41.07 2ii8 s PHE 89 CO 0.38 -0.93 0.03 0.00 -1.34 0.00 0.00 175.22 173.36 2ii8 s ALA 90 N -3.57 1.12 0.01 1.99 0.00 0.03 -1.10 121.76 120.24 2ii8 s ALA 90 Ca 0.34 -1.54 -0.03 0.00 0.00 0.00 0.00 51.96 50.73 2ii8 s ALA 90 Cb 0.02 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.84 2ii8 s ALA 90 CO 0.18 -0.41 0.05 -1.54 0.00 0.00 0.00 175.76 174.04 2ii8 s SER 91 N -3.11 0.11 -0.11 0.00 1.04 -0.21 -0.36 113.70 111.06 2ii8 s SER 91 Ca 0.24 -0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.39 2ii8 s SER 91 Cb 0.07 0.15 -0.02 0.00 0.10 0.00 0.00 66.02 66.32 2ii8 s SER 91 CO 0.03 -0.28 -0.15 -0.69 0.98 0.00 0.00 173.24 173.13 2ii8 s VAL 92 N -1.20 2.95 -0.27 5.02 1.01 -0.36 0.12 120.40 127.66 2ii8 s VAL 92 Ca -0.13 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.15 2ii8 s VAL 92 Cb -0.08 -2.21 0.06 0.00 0.00 0.00 0.00 36.38 34.15 2ii8 s VAL 92 CO 0.00 0.54 -0.07 -0.63 0.00 0.00 0.00 175.10 174.94 2ii8 s ILE 93 N 0.09 2.43 0.08 2.22 1.01 0.24 -0.79 121.20 126.46 2ii8 s ILE 93 Ca -0.06 -1.58 0.05 0.00 0.00 0.00 0.00 60.65 59.06 2ii8 s ILE 93 Cb -0.15 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 2ii8 s ILE 93 CO 0.05 -0.07 -0.01 -1.10 0.00 0.00 0.00 174.94 173.81 2ii8 s GLN 94 N 1.14 2.54 -0.02 2.79 -0.21 -0.54 -0.66 119.66 124.70 2ii8 s GLN 94 Ca -0.07 -0.82 -0.11 0.00 0.02 0.00 0.00 55.36 54.37 2ii8 s GLN 94 Cb -0.20 -2.53 0.02 0.00 1.00 0.00 0.00 33.01 31.29 2ii8 s GLN 94 CO -0.04 0.55 0.24 0.45 -2.12 0.00 0.00 175.29 174.37 2ii8 s SER 95 N -2.16 -0.13 0.45 5.90 0.15 0.30 -0.69 113.70 117.52 2ii8 s SER 95 Ca 0.24 0.06 0.24 0.00 0.70 0.00 0.00 55.95 57.19 2ii8 s SER 95 Cb -0.12 0.31 1.04 0.00 -1.71 0.00 0.00 66.02 65.54 2ii8 s SER 95 CO 0.16 -0.36 1.89 -0.55 1.20 0.00 0.00 173.24 175.58 2ii8 h ASN 96 N 4.32 0.00 -4.11 5.45 -1.07 -1.85 -3.44 115.58 114.88 2ii8 h ASN 96 Ca -0.29 0.00 -0.42 0.00 0.07 0.00 0.00 56.30 55.66 2ii8 h ASN 96 Cb 1.19 0.00 -0.19 0.00 -2.07 0.00 0.00 38.32 37.25 2ii8 h ASN 96 CO 0.39 0.22 -0.76 0.68 0.07 0.00 0.00 177.43 178.03 2ii8 s VAL 97 N -3.83 1.31 0.34 6.14 -7.23 -1.26 -5.04 120.40 110.83 2ii8 s VAL 97 Ca -0.01 -1.66 -0.28 0.00 -1.81 0.00 0.00 61.98 58.22 2ii8 s VAL 97 Cb 0.11 -1.48 -0.12 0.00 0.56 0.00 0.00 36.38 35.45 2ii8 s VAL 97 CO 0.63 -0.39 1.33 -2.65 -0.31 0.00 0.00 175.10 173.71 2ii8 n PRO 98 N 0.64 2.20 -4.12 4.82 -0.02 -1.26 -4.61 135.00 132.65 2ii8 n PRO 98 Ca -0.16 0.77 -0.08 0.00 -2.02 0.00 0.00 63.50 62.01 2ii8 n PRO 98 Cb 0.57 -2.38 -0.10 0.00 -0.02 0.00 0.00 33.50 31.57 2ii8 n PRO 98 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2ii8 s ILE 99 N -1.02 0.17 -0.14 4.25 -4.36 -0.79 -4.72 121.20 114.59 2ii8 s ILE 99 Ca 0.56 -1.86 -0.03 0.00 -0.26 0.00 0.00 60.65 59.07 2ii8 s ILE 99 Cb -0.56 -1.76 -0.02 0.00 1.25 0.00 0.00 42.46 41.37 2ii8 s ILE 99 CO 0.62 -0.76 -0.06 -0.69 0.24 0.00 0.00 174.94 174.28 2ii8 s VAL 100 N -3.98 3.66 -0.06 8.37 1.01 -0.06 -1.13 120.40 128.21 2ii8 s VAL 100 Ca 0.15 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.73 2ii8 s VAL 100 Cb 0.08 -2.58 -0.00 0.00 0.00 0.00 0.00 36.38 33.87 2ii8 s VAL 100 CO -0.05 0.51 -0.20 -0.69 0.00 0.00 0.00 175.10 174.67 2ii8 s VAL 101 N 0.30 1.70 0.04 2.92 1.01 -1.26 -0.62 120.40 124.49 2ii8 s VAL 101 Ca -0.05 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.11 2ii8 s VAL 101 Cb -0.14 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 2ii8 s VAL 101 CO 0.04 0.48 -0.08 -1.58 0.00 0.00 0.00 175.10 173.96 2ii8 s GLN 102 N 0.17 0.52 0.02 2.72 0.74 -0.07 -4.99 119.66 118.78 2ii8 s GLN 102 Ca -0.09 -0.76 0.06 0.00 0.05 0.00 0.00 55.36 54.62 2ii8 s GLN 102 Cb -0.14 -0.27 -0.02 0.00 1.10 0.00 0.00 33.01 33.67 2ii8 s GLN 102 CO 0.05 0.04 -0.19 -3.38 -0.55 0.00 0.00 175.29 171.26 2ii8 s HIS 103 N -1.41 1.68 0.00 1.67 -3.43 -1.26 -0.13 115.29 112.41 2ii8 s HIS 103 Ca -0.10 -0.35 0.00 0.00 -0.80 0.00 0.00 55.06 53.81 2ii8 s HIS 103 Cb -0.10 -1.03 0.00 0.00 -1.43 0.00 0.00 32.58 30.03 2ii8 s HIS 103 CO 0.00 0.05 0.17 2.41 -2.00 0.00 0.00 174.74 175.37