#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 4.37 -0.32 2.46 1.02 -1.26 -5.00 118.68 119.94 2ii8 s LEU 2 Ca 0.00 2.87 0.02 0.00 0.02 0.00 0.00 54.13 57.03 2ii8 s LEU 2 Cb 0.00 -3.60 0.08 0.00 0.02 0.00 0.00 46.19 42.69 2ii8 s LEU 2 CO 0.00 -0.97 0.03 -0.55 0.02 0.00 0.00 176.35 174.87 2ii8 s SER 3 N 1.17 4.79 -0.01 2.29 0.15 -1.26 -4.13 113.70 116.69 2ii8 s SER 3 Ca 0.75 -1.78 0.03 0.00 0.70 0.00 0.00 55.95 55.64 2ii8 s SER 3 Cb -0.50 -1.66 -0.00 0.00 -1.71 0.00 0.00 66.02 62.15 2ii8 s SER 3 CO 0.32 -0.34 -0.09 -0.63 1.20 0.00 0.00 173.24 173.70 2ii8 s ILE 4 N 1.06 0.76 0.00 6.45 1.01 -1.26 -5.07 121.20 124.15 2ii8 s ILE 4 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.29 2ii8 s ILE 4 Cb -0.20 -0.66 0.00 0.00 0.01 0.00 0.00 42.46 41.61 2ii8 s ILE 4 CO -0.05 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.72 2ii8 n GLY 5 N 3.03 -0.25 3.79 6.18 0.00 -1.26 -3.82 105.19 112.87 2ii8 n GLY 5 Ca -0.15 -1.90 -0.08 0.00 0.00 0.00 0.00 46.02 43.89 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 1.82 0.00 1.61 1.70 0.30 -4.69 118.95 119.68 2ii8 s ARG 6 Ca 0.00 -1.12 0.24 0.00 -0.47 0.00 0.00 55.73 54.37 2ii8 s ARG 6 Cb 0.00 0.58 0.30 0.00 -0.57 0.00 0.00 34.95 35.26 2ii8 s ARG 6 CO 0.00 -0.82 1.27 0.25 -1.08 0.00 0.00 175.30 174.92 2ii8 n THR 7 N -0.46 0.00 -3.72 4.99 -2.24 -1.26 -1.71 114.28 109.88 2ii8 n THR 7 Ca -0.04 -0.06 -0.21 0.00 -2.27 0.00 0.00 64.05 61.47 2ii8 n THR 7 Cb 0.60 0.60 -0.18 0.00 -2.10 0.00 0.00 70.33 69.25 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 2.05 1.74 -0.06 0.00 0.52 0.54 -4.99 118.94 118.74 2ii8 s TRP 9 Ca 0.04 -0.42 0.05 0.00 0.02 0.00 0.00 56.10 55.79 2ii8 s TRP 9 Cb -0.12 -1.15 -0.01 0.00 -1.15 0.00 0.00 33.47 31.04 2ii8 s TRP 9 CO -0.04 -0.10 -0.23 0.00 0.02 0.00 0.00 176.95 176.60 2ii8 s ALA 10 N -0.20 1.99 -0.28 0.98 0.00 -1.26 0.82 121.76 123.82 2ii8 s ALA 10 Ca 0.02 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 51.01 2ii8 s ALA 10 Cb -0.10 -0.65 0.03 0.00 0.00 0.00 0.00 23.12 22.40 2ii8 s ALA 10 CO 0.01 0.35 -0.00 0.42 0.00 0.00 0.00 175.76 176.54 2ii8 s ILE 11 N -0.01 3.20 -0.15 0.00 1.01 0.43 -5.01 121.20 120.68 2ii8 s ILE 11 Ca -0.07 -1.05 0.21 0.00 0.00 0.00 0.00 60.65 59.75 2ii8 s ILE 11 Cb -0.14 -2.70 0.21 0.00 0.01 0.00 0.00 42.46 39.85 2ii8 s ILE 11 CO 0.04 0.07 1.63 0.00 0.00 0.00 0.00 174.94 176.68 2ii8 h ALA 12 N 8.07 0.88 -2.44 9.38 0.00 -1.91 0.88 119.26 134.13 2ii8 h ALA 12 Ca -0.29 -0.23 -0.52 0.00 0.00 0.00 0.00 54.91 53.88 2ii8 h ALA 12 Cb 1.10 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2ii8 h ALA 12 CO 0.57 0.31 -0.36 -2.00 0.00 0.00 0.00 179.25 177.78 2ii8 s GLU 13 N -3.26 3.49 -0.30 0.00 2.56 -1.26 -4.44 118.70 115.49 2ii8 s GLU 13 Ca 0.04 -0.46 -0.19 0.00 0.00 0.00 0.00 54.97 54.36 2ii8 s GLU 13 Cb 0.08 -2.85 0.21 0.00 2.00 0.00 0.00 34.13 33.57 2ii8 s GLU 13 CO 0.68 0.39 1.35 0.20 -0.56 0.00 0.00 175.26 177.32 2ii8 s GLY 14 N -3.43 0.58 -0.30 -1.50 0.00 -0.55 -4.53 107.32 97.59 2ii8 s GLY 14 Ca 0.37 3.78 -0.13 0.00 0.00 0.00 0.00 44.72 48.75 2ii8 s GLY 14 CO 0.30 2.49 0.79 -0.47 0.00 0.00 0.00 173.10 176.21 2ii8 s TYR 15 N 0.67 -1.04 -0.30 1.90 6.14 -1.26 -1.12 117.35 122.33 2ii8 s TYR 15 Ca -0.02 1.84 -0.10 0.00 0.64 0.00 0.00 57.07 59.42 2ii8 s TYR 15 Cb -0.03 0.62 -0.02 0.00 0.42 0.00 0.00 41.96 42.95 2ii8 s TYR 15 CO -0.12 -0.52 0.17 0.42 0.64 0.00 0.00 175.55 176.14 2ii8 s ILE 16 N 2.53 4.82 0.97 3.14 1.01 -1.26 -4.67 121.20 127.75 2ii8 s ILE 16 Ca -0.05 -0.25 -0.12 0.00 0.00 0.00 0.00 60.65 60.22 2ii8 s ILE 16 Cb -0.09 -3.41 0.17 0.00 0.01 0.00 0.00 42.46 39.14 2ii8 s ILE 16 CO -0.18 0.11 1.09 -2.16 0.00 0.00 0.00 174.94 173.80 2ii8 s PRO 17 N 1.66 0.66 0.00 2.79 0.04 -1.26 0.24 135.00 139.13 2ii8 s PRO 17 Ca 0.05 0.68 0.00 0.00 0.04 0.00 0.00 61.00 61.78 2ii8 s PRO 17 Cb -0.17 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2ii8 s PRO 17 CO 0.08 -2.62 0.00 -2.30 0.04 0.00 0.00 177.00 172.20 2ii8 n PRO 18 N -4.12 0.00 0.00 0.56 -0.02 -1.26 -4.52 135.00 125.64 2ii8 n PRO 18 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 2ii8 n PRO 18 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 2ii8 n PRO 18 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2ii8 n GLU 31 N 0.00 0.00 -4.55 -0.52 -0.00 -1.26 -4.90 120.64 109.41 2ii8 n GLU 31 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.16 56.88 2ii8 n GLU 31 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 31.44 31.27 2ii8 n GLU 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 2ii8 s THR 32 N 0.00 1.44 -0.33 3.84 2.01 -1.26 -1.40 115.64 119.94 2ii8 s THR 32 Ca 0.00 -0.62 -0.19 0.00 0.31 0.00 0.00 61.69 61.19 2ii8 s THR 32 Cb 0.00 -1.31 -0.01 0.00 0.01 0.00 0.00 72.50 71.19 2ii8 s THR 32 CO 0.00 0.43 0.54 -0.69 -0.69 0.00 0.00 174.62 174.21 2ii8 s VAL 33 N 0.86 5.00 -0.25 3.82 1.01 0.20 -0.30 120.40 130.73 2ii8 s VAL 33 Ca -0.10 0.55 -0.10 0.00 0.00 0.00 0.00 61.98 62.34 2ii8 s VAL 33 Cb -0.15 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 2ii8 s VAL 33 CO 0.01 -0.15 0.16 0.00 0.00 0.00 0.00 175.10 175.11 2ii8 s ILE 35 N 1.36 2.09 -0.10 0.00 1.01 0.18 -0.10 121.20 125.64 2ii8 s ILE 35 Ca 0.07 -1.06 0.04 0.00 0.00 0.00 0.00 60.65 59.70 2ii8 s ILE 35 Cb -0.15 -1.75 -0.00 0.00 0.01 0.00 0.00 42.46 40.58 2ii8 s ILE 35 CO 0.07 0.57 -0.24 -0.22 0.00 0.00 0.00 174.94 175.12 2ii8 s LEU 36 N -0.25 2.09 -0.51 2.97 2.96 0.93 -1.26 118.68 125.61 2ii8 s LEU 36 Ca -0.01 -0.56 -0.06 0.00 -0.22 0.00 0.00 54.13 53.29 2ii8 s LEU 36 Cb -0.13 -1.41 0.13 0.00 0.50 0.00 0.00 46.19 45.29 2ii8 s LEU 36 CO 0.03 0.16 0.35 0.21 -1.32 0.00 0.00 176.35 175.78 2ii8 s ASN 37 N 0.31 5.51 0.00 3.68 3.04 0.63 -1.22 114.94 126.89 2ii8 s ASN 37 Ca -0.18 -2.25 0.25 0.00 0.04 0.00 0.00 52.86 50.72 2ii8 s ASN 37 Cb -0.18 -1.93 1.08 0.00 -1.54 0.00 0.00 41.25 38.68 2ii8 s ASN 37 CO 0.09 -0.55 1.74 0.00 -3.04 0.00 0.00 177.10 175.33 2ii8 n ALA 38 N 4.38 2.58 -1.97 1.71 0.00 -1.26 -1.00 120.51 124.94 2ii8 n ALA 38 Ca -0.01 -0.40 -0.24 0.00 0.00 0.00 0.00 53.44 52.80 2ii8 n ALA 38 Cb 0.41 -1.20 0.09 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.81 1.77 0.00 0.00 0.00 -1.26 -4.54 107.32 101.48 2ii8 s GLY 39 Ca 0.36 -1.47 0.16 0.00 0.00 0.00 0.00 44.72 43.77 2ii8 s GLY 39 CO 0.30 -1.00 1.41 1.22 0.00 0.00 0.00 173.10 175.03 2ii8 n ASP 40 N -2.76 1.82 -4.19 1.64 8.00 -1.26 -1.33 116.55 118.47 2ii8 n ASP 40 Ca 0.12 -1.86 -0.24 0.00 0.71 0.00 0.00 54.79 53.53 2ii8 n ASP 40 Cb 0.60 -0.18 -0.14 0.00 -0.02 0.00 0.00 41.12 41.38 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 -1.65 1.27 0.54 -1.24 2.12 -1.26 -4.86 118.70 113.62 2ii8 s GLU 41 Ca 0.28 -0.77 -0.22 0.00 0.36 0.00 0.00 54.97 54.62 2ii8 s GLU 41 Cb 0.15 -1.30 -0.05 0.00 0.26 0.00 0.00 34.13 33.19 2ii8 s GLU 41 CO 0.21 0.34 1.37 -0.51 -0.54 0.00 0.00 175.26 176.14 2ii8 s ASP 42 N -0.89 5.26 -0.28 -1.70 1.11 -1.26 -4.25 116.67 114.66 2ii8 s ASP 42 Ca 0.06 2.80 -0.08 0.00 0.18 0.00 0.00 52.55 55.51 2ii8 s ASP 42 Cb -0.08 -2.64 -0.01 0.00 1.07 0.00 0.00 42.92 41.26 2ii8 s ASP 42 CO 0.01 -1.58 0.09 0.00 1.18 0.00 0.00 175.17 174.87 2ii8 s ALA 43 N -1.29 3.16 -0.54 5.23 0.00 0.92 -4.84 121.76 124.41 2ii8 s ALA 43 Ca 0.71 -1.29 -0.22 0.00 0.00 0.00 0.00 51.96 51.17 2ii8 s ALA 43 Cb -0.41 -2.17 0.05 0.00 0.00 0.00 0.00 23.12 20.59 2ii8 s ALA 43 CO 0.49 -0.72 0.81 -1.01 0.00 0.00 0.00 175.76 175.33 2ii8 s HIS 44 N 1.58 2.90 -0.12 0.00 3.76 -1.26 -0.46 115.29 121.69 2ii8 s HIS 44 Ca 0.05 -0.26 -0.11 0.00 -0.15 0.00 0.00 55.06 54.58 2ii8 s HIS 44 Cb -0.16 -3.86 -0.05 0.00 1.11 0.00 0.00 32.58 29.62 2ii8 s HIS 44 CO 0.04 -1.23 0.24 0.08 -0.85 0.00 0.00 174.74 173.02 2ii8 s VAL 45 N 3.39 5.33 -0.13 -0.90 1.01 0.85 -3.31 120.40 126.64 2ii8 s VAL 45 Ca 0.23 0.44 0.03 0.00 0.00 0.00 0.00 61.98 62.68 2ii8 s VAL 45 Cb -0.16 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.69 2ii8 s VAL 45 CO 0.16 0.52 -0.22 -1.61 0.00 0.00 0.00 175.10 173.94 2ii8 s GLU 46 N -0.40 3.01 -0.16 2.72 2.02 0.26 -1.92 118.70 124.24 2ii8 s GLU 46 Ca 0.16 -0.85 -0.04 0.00 0.02 0.00 0.00 54.97 54.26 2ii8 s GLU 46 Cb -0.13 -2.40 -0.03 0.00 0.10 0.00 0.00 34.13 31.67 2ii8 s GLU 46 CO 0.05 0.02 -0.02 0.42 0.02 0.00 0.00 175.26 175.76 2ii8 s ILE 47 N 0.72 4.10 -0.07 -1.63 1.01 0.02 -0.79 121.20 124.56 2ii8 s ILE 47 Ca -0.09 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.28 2ii8 s ILE 47 Cb -0.16 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 2ii8 s ILE 47 CO 0.00 0.49 -0.08 -0.89 0.00 0.00 0.00 174.94 174.46 2ii8 s THR 48 N 0.30 3.58 -0.18 2.92 2.01 -0.56 -0.43 115.64 123.29 2ii8 s THR 48 Ca -0.02 -0.53 -0.03 0.00 0.31 0.00 0.00 61.69 61.42 2ii8 s THR 48 Cb -0.14 -2.45 -0.02 0.00 0.01 0.00 0.00 72.50 69.90 2ii8 s THR 48 CO 0.02 0.60 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.87 2ii8 s ILE 49 N -0.77 3.55 0.04 1.82 -1.09 -0.01 -1.08 121.20 123.68 2ii8 s ILE 49 Ca 0.12 -0.46 0.01 0.00 -2.23 0.00 0.00 60.65 58.09 2ii8 s ILE 49 Cb -0.11 -2.57 -0.04 0.00 -1.58 0.00 0.00 42.46 38.16 2ii8 s ILE 49 CO 0.01 0.46 0.13 -0.31 -1.23 0.00 0.00 174.94 174.01 2ii8 s TYR 50 N 0.84 3.35 0.35 3.97 1.51 0.57 -0.52 117.35 127.43 2ii8 s TYR 50 Ca -0.01 0.19 0.06 0.00 -1.01 0.00 0.00 57.07 56.29 2ii8 s TYR 50 Cb -0.15 -1.71 -0.07 0.00 -0.11 0.00 0.00 41.96 39.92 2ii8 s TYR 50 CO 0.01 0.56 0.01 0.71 -1.11 0.00 0.00 175.55 175.74 2ii8 s TYR 51 N -1.37 2.21 -0.67 2.71 2.02 -1.26 -1.41 117.35 119.58 2ii8 s TYR 51 Ca 0.29 -0.78 0.25 0.00 -0.37 0.00 0.00 57.07 56.47 2ii8 s TYR 51 Cb -0.12 -1.46 0.69 0.00 -0.40 0.00 0.00 41.96 40.66 2ii8 s TYR 51 CO 0.21 0.26 1.71 0.66 -1.57 0.00 0.00 175.55 176.82 2ii8 h SER 52 N 2.00 0.00 0.00 2.29 4.64 -1.98 -3.39 113.55 117.10 2ii8 h SER 52 Ca -0.42 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2ii8 h SER 52 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2ii8 h SER 52 CO 0.74 0.01 -0.10 -0.90 -0.87 0.00 0.00 176.83 175.71 2ii8 n ASP 53 N -2.41 0.00 -3.87 4.97 5.68 -1.26 -5.11 116.55 114.55 2ii8 n ASP 53 Ca 0.05 -1.19 -0.10 0.00 -0.50 0.00 0.00 54.79 53.05 2ii8 n ASP 53 Cb 0.45 -0.04 -0.06 0.00 -1.14 0.00 0.00 41.12 40.33 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 1.21 0.71 0.11 -2.85 -1.26 -5.16 119.74 112.49 2ii8 s LYS 54 Ca 0.00 -1.04 -0.16 0.00 -1.00 0.00 0.00 55.97 53.78 2ii8 s LYS 54 Cb 0.00 0.43 0.03 0.00 -2.06 0.00 0.00 37.83 36.23 2ii8 s LYS 54 CO 0.00 -0.47 1.22 -1.21 0.10 0.00 0.00 175.35 175.00 2ii8 s GLU 55 N -3.92 2.21 0.71 1.78 0.41 -1.26 -4.17 118.70 114.46 2ii8 s GLU 55 Ca 0.13 1.82 -0.13 0.00 -0.41 0.00 0.00 54.97 56.38 2ii8 s GLU 55 Cb 0.02 -1.83 0.03 0.00 -1.78 0.00 0.00 34.13 30.56 2ii8 s GLU 55 CO -0.02 -1.79 1.11 -1.25 -0.49 0.00 0.00 175.26 172.81 2ii8 s PRO 56 N -3.80 2.51 -0.10 0.39 0.04 -1.26 -4.70 135.00 128.09 2ii8 s PRO 56 Ca 0.76 1.33 0.01 0.00 0.04 0.00 0.00 61.00 63.14 2ii8 s PRO 56 Cb -0.31 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 2ii8 s PRO 56 CO 0.44 -1.47 -0.13 0.08 0.04 0.00 0.00 177.00 175.96 2ii8 s VAL 57 N -2.54 3.14 -5.00 -0.36 1.01 0.33 -4.94 120.40 112.04 2ii8 s VAL 57 Ca 0.65 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2ii8 s VAL 57 Cb -0.20 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 33.90 2ii8 s VAL 57 CO 0.48 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.74 2ii8 n GLY 58 N 2.96 -0.38 3.74 4.51 0.00 -1.26 -0.83 105.19 113.93 2ii8 n GLY 58 Ca -0.18 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 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 4.59 -0.18 1.61 0.04 -1.26 -4.98 135.00 132.82 2ii8 s PRO 59 Ca 0.00 1.70 -0.29 0.00 0.04 0.00 0.00 61.00 62.45 2ii8 s PRO 59 Cb 0.00 -3.29 -0.00 0.00 0.04 0.00 0.00 34.50 31.25 2ii8 s PRO 59 CO 0.00 0.06 1.05 0.71 0.04 0.00 0.00 177.00 178.86 2ii8 s TYR 60 N -0.15 3.36 -0.04 0.56 1.51 0.43 -4.41 117.35 118.61 2ii8 s TYR 60 Ca 0.50 1.47 -0.02 0.00 -1.01 0.00 0.00 57.07 58.01 2ii8 s TYR 60 Cb -0.29 -3.26 -0.04 0.00 -0.11 0.00 0.00 41.96 38.26 2ii8 s TYR 60 CO 0.34 -0.50 0.09 1.03 -1.11 0.00 0.00 175.55 175.40 2ii8 s ARG 61 N 2.77 3.18 0.11 -0.62 0.52 -1.26 -0.80 118.95 122.84 2ii8 s ARG 61 Ca 0.47 -0.38 -0.25 0.00 -0.52 0.00 0.00 55.73 55.05 2ii8 s ARG 61 Cb -0.17 -2.95 0.08 0.00 0.52 0.00 0.00 34.95 32.43 2ii8 s ARG 61 CO 0.11 0.69 0.79 -0.48 0.02 0.00 0.00 175.30 176.44 2ii8 s LEU 62 N -1.47 -0.38 -0.05 2.53 0.05 -0.81 -5.02 118.68 113.53 2ii8 s LEU 62 Ca 0.20 -0.15 0.06 0.00 0.05 0.00 0.00 54.13 54.30 2ii8 s LEU 62 Cb -0.12 2.31 -0.01 0.00 -2.05 0.00 0.00 46.19 46.32 2ii8 s LEU 62 CO 0.10 -0.86 -0.25 -0.89 -0.55 0.00 0.00 176.35 173.90 2ii8 s THR 63 N -3.44 2.03 -0.28 5.48 2.01 -1.26 -0.10 115.64 120.08 2ii8 s THR 63 Ca 0.06 -1.06 -0.02 0.00 0.31 0.00 0.00 61.69 60.98 2ii8 s THR 63 Cb -0.02 -1.71 0.04 0.00 0.01 0.00 0.00 72.50 70.82 2ii8 s THR 63 CO -0.06 0.56 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.73 2ii8 s VAL 64 N -0.20 3.04 0.90 3.82 1.01 0.39 -4.97 120.40 124.38 2ii8 s VAL 64 Ca -0.02 -1.17 -0.11 0.00 0.00 0.00 0.00 61.98 60.68 2ii8 s VAL 64 Cb -0.13 -2.65 0.13 0.00 0.00 0.00 0.00 36.38 33.73 2ii8 s VAL 64 CO 0.03 0.04 1.11 -2.84 0.00 0.00 0.00 175.10 173.44 2ii8 s PRO 65 N 1.31 1.22 0.20 2.72 0.02 -1.26 -0.06 135.00 139.15 2ii8 s PRO 65 Ca -0.02 1.27 -0.32 0.00 0.02 0.00 0.00 61.00 61.94 2ii8 s PRO 65 Cb -0.18 -1.77 -0.15 0.00 0.02 0.00 0.00 34.50 32.42 2ii8 s PRO 65 CO -0.02 -2.40 1.29 0.00 -0.33 0.00 0.00 177.00 175.54 2ii8 n ALA 66 N -4.05 0.12 -3.95 -1.55 0.00 -1.26 -1.89 120.51 107.93 2ii8 n ALA 66 Ca 0.09 0.44 -0.30 0.00 0.00 0.00 0.00 53.44 53.67 2ii8 n ALA 66 Cb 0.53 -2.15 0.02 0.00 0.00 0.00 0.00 19.45 17.85 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 1.94 -4.96 -4.23 0.00 1.74 -0.17 -4.97 116.66 106.00 2ii8 n ARG 67 Ca 0.14 0.55 -0.13 0.00 -0.77 0.00 0.00 57.85 57.64 2ii8 n ARG 67 Cb 0.28 -5.34 -0.10 0.00 -1.02 0.00 0.00 32.46 26.27 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 -6.61 1.09 0.32 5.56 1.81 -0.78 -4.97 118.95 115.36 2ii8 s ARG 68 Ca 0.58 -1.52 0.09 0.00 -1.72 0.00 0.00 55.73 53.15 2ii8 s ARG 68 Cb -0.29 -0.22 -0.04 0.00 -0.45 0.00 0.00 34.95 33.95 2ii8 s ARG 68 CO 0.85 -0.14 0.11 -0.08 -0.68 0.00 0.00 175.30 175.35 2ii8 s THR 69 N -3.69 3.16 -0.20 0.02 -1.32 -1.26 -0.27 115.64 112.07 2ii8 s THR 69 Ca 0.24 -1.74 -0.18 0.00 -1.21 0.00 0.00 61.69 58.79 2ii8 s THR 69 Cb 0.06 -2.96 0.05 0.00 -1.51 0.00 0.00 72.50 68.15 2ii8 s THR 69 CO 0.04 -0.23 0.53 -0.75 -2.21 0.00 0.00 174.62 172.00 2ii8 s LYS 70 N -3.80 0.62 -0.19 7.08 2.20 -0.39 -4.92 119.74 120.34 2ii8 s LYS 70 Ca 0.36 0.75 -0.05 0.00 -0.36 0.00 0.00 55.97 56.67 2ii8 s LYS 70 Cb -0.03 0.29 -0.03 0.00 -1.51 0.00 0.00 37.83 36.55 2ii8 s LYS 70 CO 0.22 -0.08 -0.00 -1.01 -0.36 0.00 0.00 175.35 174.12 2ii8 s HIS 71 N 0.33 3.05 -0.16 4.03 3.76 -1.26 -0.64 115.29 124.40 2ii8 s HIS 71 Ca -0.00 -0.39 0.01 0.00 -0.15 0.00 0.00 55.06 54.52 2ii8 s HIS 71 Cb -0.04 -2.06 0.01 0.00 1.11 0.00 0.00 32.58 31.59 2ii8 s HIS 71 CO 0.00 -0.18 -0.17 0.08 -0.85 0.00 0.00 174.74 173.62 2ii8 s VAL 72 N 0.86 2.44 -0.13 -0.90 1.01 0.13 -4.95 120.40 118.86 2ii8 s VAL 72 Ca 0.01 -0.84 -0.20 0.00 0.00 0.00 0.00 61.98 60.95 2ii8 s VAL 72 Cb -0.14 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 2ii8 s VAL 72 CO 0.02 0.52 0.57 -0.13 0.00 0.00 0.00 175.10 176.08 2ii8 s ARG 73 N 0.96 4.32 0.38 2.72 0.52 -1.26 0.60 118.95 127.19 2ii8 s ARG 73 Ca -0.03 0.58 0.06 0.00 -0.52 0.00 0.00 55.73 55.83 2ii8 s ARG 73 Cb -0.15 -3.48 0.78 0.00 0.52 0.00 0.00 34.95 32.62 2ii8 s ARG 73 CO -0.03 0.02 2.01 0.74 0.02 0.00 0.00 175.30 178.05 2ii8 h PHE 74 N 6.97 0.66 -0.55 -0.53 0.04 -1.63 -1.70 116.94 120.20 2ii8 h PHE 74 Ca -0.38 0.02 0.15 0.00 2.80 0.00 0.00 57.97 60.56 2ii8 h PHE 74 Cb 1.17 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 39.08 2ii8 h PHE 74 CO 0.65 0.38 0.39 -0.97 -0.60 0.00 0.00 178.31 178.17 2ii8 h ASN 75 N 0.68 0.02 0.18 2.17 -0.00 -1.94 -2.74 115.58 113.96 2ii8 h ASN 75 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.54 2ii8 h ASN 75 Cb 0.10 -0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.42 2ii8 h ASN 75 CO -0.06 0.01 -0.13 0.47 -0.00 0.00 0.00 177.43 177.72 2ii8 n ASP 76 N -4.38 0.96 -4.73 1.15 8.00 -0.64 -4.88 116.55 112.03 2ii8 n ASP 76 Ca 0.10 -1.00 -0.41 0.00 0.71 0.00 0.00 54.79 54.19 2ii8 n ASP 76 Cb 0.61 0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.70 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 -2.31 4.51 0.00 0.64 1.02 -1.03 -4.90 118.68 116.60 2ii8 s LEU 77 Ca 0.31 1.92 0.00 0.00 0.02 0.00 0.00 54.13 56.38 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 0.44 -0.10 0.00 -0.46 0.02 0.00 0.00 176.35 176.26 2ii8 n ASN 78 N 2.48 0.00 -4.18 2.29 2.04 -1.26 -4.12 115.26 112.50 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 -0.14 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 4.30 0.28 0.53 -1.08 -1.26 -0.80 116.67 118.64 2ii8 s ASP 79 Ca 0.00 -0.93 0.26 0.00 -0.52 0.00 0.00 52.55 51.35 2ii8 s ASP 79 Cb 0.00 -1.65 0.80 0.00 -1.46 0.00 0.00 42.92 40.62 2ii8 s ASP 79 CO 0.00 -0.13 1.75 1.55 0.52 0.00 0.00 175.17 178.86 2ii8 h PRO 80 N 7.99 0.00 -1.50 4.34 0.13 -1.94 -3.39 132.00 137.62 2ii8 h PRO 80 Ca -0.31 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.91 2ii8 h PRO 80 Cb 1.10 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.99 2ii8 h PRO 80 CO 0.57 0.00 0.59 0.00 -0.23 0.00 0.00 178.00 178.92 2ii8 s ALA 81 N -3.20 -1.96 0.71 -0.56 0.00 0.02 -5.13 121.76 111.63 2ii8 s ALA 81 Ca 0.08 1.64 -0.13 0.00 0.00 0.00 0.00 51.96 53.55 2ii8 s ALA 81 Cb 0.10 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.38 2ii8 s ALA 81 CO 0.56 -0.29 1.10 -2.14 0.00 0.00 0.00 175.76 174.99 2ii8 s PRO 82 N -0.97 2.57 -0.14 0.00 0.02 -1.24 -4.15 135.00 131.08 2ii8 s PRO 82 Ca -0.00 1.30 -0.23 0.00 0.02 0.00 0.00 61.00 62.09 2ii8 s PRO 82 Cb -0.01 -1.93 -0.03 0.00 0.02 0.00 0.00 34.50 32.56 2ii8 s PRO 82 CO -0.00 -1.42 0.70 0.42 -0.33 0.00 0.00 177.00 176.37 2ii8 s ILE 83 N -2.58 5.00 0.37 2.83 1.01 -1.26 -5.01 121.20 121.56 2ii8 s ILE 83 Ca 0.65 1.39 -0.28 0.00 0.00 0.00 0.00 60.65 62.40 2ii8 s ILE 83 Cb -0.19 -4.02 -0.11 0.00 0.01 0.00 0.00 42.46 38.14 2ii8 s ILE 83 CO 0.48 0.15 1.41 -0.81 0.00 0.00 0.00 174.94 176.17 2ii8 n PRO 84 N 4.58 2.46 -1.87 2.79 -0.04 -1.26 -5.00 135.00 136.67 2ii8 n PRO 84 Ca -0.00 0.86 -0.29 0.00 -0.04 0.00 0.00 63.50 64.03 2ii8 n PRO 84 Cb 0.50 -2.55 0.09 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 -1.11 2.98 -1.25 0.54 3.76 -1.26 -4.01 115.29 114.94 2ii8 s HIS 85 Ca 0.54 0.80 -0.09 0.00 -0.15 0.00 0.00 55.06 56.17 2ii8 s HIS 85 Cb -0.51 -3.43 0.07 0.00 1.11 0.00 0.00 32.58 29.82 2ii8 s HIS 85 CO 0.63 -1.73 0.45 -3.47 -0.85 0.00 0.00 174.74 169.78 2ii8 n ASP 86 N -3.30 -3.60 -3.93 1.40 2.03 0.66 -4.94 116.55 104.87 2ii8 n ASP 86 Ca 0.08 -0.35 -0.20 0.00 0.52 0.00 0.00 54.79 54.83 2ii8 n ASP 86 Cb 0.60 -2.99 -0.16 0.00 -0.72 0.00 0.00 41.12 37.85 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 -2.89 0.63 0.17 5.18 2.01 -1.26 -5.02 115.64 114.45 2ii8 s THR 87 Ca 0.38 -0.21 -0.30 0.00 0.31 0.00 0.00 61.69 61.86 2ii8 s THR 87 Cb -0.20 -0.61 -0.07 0.00 0.01 0.00 0.00 72.50 71.63 2ii8 s THR 87 CO 0.46 0.23 1.14 -1.81 -0.69 0.00 0.00 174.62 173.95 2ii8 s ASP 88 N 0.63 7.19 0.36 3.53 1.01 -1.26 -4.17 116.67 123.97 2ii8 s ASP 88 Ca -0.09 2.12 -0.03 0.00 0.71 0.00 0.00 52.55 55.26 2ii8 s ASP 88 Cb -0.12 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.22 2ii8 s ASP 88 CO 0.01 -0.29 0.53 0.72 0.21 0.00 0.00 175.17 176.34 2ii8 s PHE 89 N -0.03 1.01 0.17 4.23 -0.71 -0.27 -4.29 117.98 118.08 2ii8 s PHE 89 Ca 0.51 -1.28 -0.07 0.00 -1.04 0.00 0.00 56.93 55.05 2ii8 s PHE 89 Cb -0.30 0.02 -0.02 0.00 -1.21 0.00 0.00 43.02 41.52 2ii8 s PHE 89 CO 0.35 -1.22 0.25 0.00 -1.34 0.00 0.00 175.22 173.26 2ii8 s ALA 90 N -2.82 0.24 0.05 1.99 0.00 -0.50 -1.48 121.76 119.23 2ii8 s ALA 90 Ca 0.29 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 2ii8 s ALA 90 Cb -0.01 0.95 -0.04 0.00 0.00 0.00 0.00 23.12 24.02 2ii8 s ALA 90 CO 0.20 -0.64 -0.02 -1.54 0.00 0.00 0.00 175.76 173.77 2ii8 s SER 91 N -3.01 0.47 -0.09 0.00 1.04 0.30 -0.31 113.70 112.10 2ii8 s SER 91 Ca 0.21 -0.98 0.03 0.00 0.48 0.00 0.00 55.95 55.70 2ii8 s SER 91 Cb 0.04 0.21 0.01 0.00 0.10 0.00 0.00 66.02 66.37 2ii8 s SER 91 CO 0.03 -0.60 -0.19 -0.69 0.98 0.00 0.00 173.24 172.76 2ii8 s VAL 92 N -3.90 1.70 -0.22 5.02 1.01 -0.24 -0.43 120.40 123.35 2ii8 s VAL 92 Ca 0.07 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 2ii8 s VAL 92 Cb 0.08 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.97 2ii8 s VAL 92 CO -0.10 0.48 -0.08 -0.63 0.00 0.00 0.00 175.10 174.77 2ii8 s ILE 93 N 0.50 2.96 0.02 2.22 1.01 0.24 -1.49 121.20 126.65 2ii8 s ILE 93 Ca -0.17 -0.70 0.09 0.00 0.00 0.00 0.00 60.65 59.87 2ii8 s ILE 93 Cb -0.17 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 39.92 2ii8 s ILE 93 CO 0.06 0.41 -0.26 -1.10 0.00 0.00 0.00 174.94 174.06 2ii8 s GLN 94 N 1.40 1.87 0.04 2.79 -0.21 0.03 -0.34 119.66 125.24 2ii8 s GLN 94 Ca 0.05 -1.02 0.01 0.00 0.02 0.00 0.00 55.36 54.41 2ii8 s GLN 94 Cb -0.14 -1.95 -0.03 0.00 1.00 0.00 0.00 33.01 31.89 2ii8 s GLN 94 CO -0.06 0.52 -0.06 0.45 -2.12 0.00 0.00 175.29 174.02 2ii8 s SER 95 N -0.99 0.67 0.34 5.90 0.15 0.77 -0.57 113.70 119.96 2ii8 s SER 95 Ca 0.11 -0.65 0.07 0.00 0.70 0.00 0.00 55.95 56.18 2ii8 s SER 95 Cb -0.10 0.08 0.62 0.00 -1.71 0.00 0.00 66.02 64.92 2ii8 s SER 95 CO 0.01 -0.31 1.83 -0.55 1.20 0.00 0.00 173.24 175.41 2ii8 h ASN 96 N 4.18 0.30 -3.22 5.45 -0.00 -1.86 -3.44 115.58 116.99 2ii8 h ASN 96 Ca -0.34 -0.08 -0.50 0.00 -0.00 0.00 0.00 56.30 55.38 2ii8 h ASN 96 Cb 1.19 -0.08 -0.16 0.00 -0.00 0.00 0.00 38.32 39.28 2ii8 h ASN 96 CO 0.47 0.52 -0.76 0.68 -0.00 0.00 0.00 177.43 178.34 2ii8 s VAL 97 N -4.57 1.86 0.32 6.14 -7.23 -1.26 -5.02 120.40 110.64 2ii8 s VAL 97 Ca -0.06 -2.12 -0.29 0.00 -1.81 0.00 0.00 61.98 57.70 2ii8 s VAL 97 Cb 0.15 -1.99 -0.11 0.00 0.56 0.00 0.00 36.38 34.98 2ii8 s VAL 97 CO 0.75 -0.46 1.58 -2.84 -0.31 0.00 0.00 175.10 173.82 2ii8 s PRO 98 N -3.28 4.11 0.11 4.82 0.02 -1.26 -4.56 135.00 134.95 2ii8 s PRO 98 Ca 0.21 2.60 -0.00 0.00 0.02 0.00 0.00 61.00 63.82 2ii8 s PRO 98 Cb -0.03 -3.00 -0.04 0.00 0.02 0.00 0.00 34.50 31.44 2ii8 s PRO 98 CO 0.08 -0.62 0.02 0.96 -0.33 0.00 0.00 177.00 177.10 2ii8 s ILE 99 N -0.30 0.24 -0.12 2.83 -4.36 -0.70 -4.68 121.20 114.12 2ii8 s ILE 99 Ca 0.61 -1.90 -0.01 0.00 -0.26 0.00 0.00 60.65 59.09 2ii8 s ILE 99 Cb -0.48 -1.90 -0.02 0.00 1.25 0.00 0.00 42.46 41.31 2ii8 s ILE 99 CO 0.52 -0.63 -0.09 -0.69 0.24 0.00 0.00 174.94 174.30 2ii8 s VAL 100 N -3.94 3.46 -0.07 8.37 1.01 -0.35 -0.54 120.40 128.33 2ii8 s VAL 100 Ca 0.19 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.67 2ii8 s VAL 100 Cb 0.07 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 34.00 2ii8 s VAL 100 CO -0.01 0.53 -0.14 -0.69 0.00 0.00 0.00 175.10 174.78 2ii8 s VAL 101 N 0.09 1.30 -0.02 2.92 1.01 -1.26 -0.05 120.40 124.40 2ii8 s VAL 101 Ca -0.03 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.43 2ii8 s VAL 101 Cb -0.14 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 2ii8 s VAL 101 CO 0.04 0.39 -0.20 -1.58 0.00 0.00 0.00 175.10 173.75 2ii8 s GLN 102 N 0.59 1.70 -0.27 2.72 0.74 0.85 -5.00 119.66 121.00 2ii8 s GLN 102 Ca -0.15 -0.72 -0.14 0.00 0.05 0.00 0.00 55.36 54.40 2ii8 s GLN 102 Cb -0.16 -1.61 -0.04 0.00 1.10 0.00 0.00 33.01 32.30 2ii8 s GLN 102 CO 0.05 0.41 0.32 -1.58 -0.55 0.00 0.00 175.29 173.94 2ii8 s HIS 103 N -0.40 3.25 0.00 1.67 5.65 -1.26 -0.41 115.29 123.78 2ii8 s HIS 103 Ca 0.06 0.34 0.00 0.00 0.25 0.00 0.00 55.06 55.71 2ii8 s HIS 103 Cb -0.08 -2.50 0.00 0.00 -1.18 0.00 0.00 32.58 28.81 2ii8 s HIS 103 CO -0.00 -0.18 0.00 2.41 -0.65 0.00 0.00 174.74 176.32