#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 4.26 -0.42 1.04 2.96 -1.26 -5.01 118.68 120.25 2ii8 s LEU 2 Ca 0.00 2.50 -0.07 0.00 -0.22 0.00 0.00 54.13 56.35 2ii8 s LEU 2 Cb 0.00 -3.53 0.10 0.00 0.50 0.00 0.00 46.19 43.26 2ii8 s LEU 2 CO 0.00 -1.20 0.24 -0.55 -1.32 0.00 0.00 176.35 173.52 2ii8 s SER 3 N 5.01 5.47 -0.02 3.68 0.15 -1.26 -3.73 113.70 123.01 2ii8 s SER 3 Ca 0.89 -1.75 0.03 0.00 0.70 0.00 0.00 55.95 55.82 2ii8 s SER 3 Cb -0.40 -1.92 -0.00 0.00 -1.71 0.00 0.00 66.02 61.98 2ii8 s SER 3 CO 0.40 -0.55 -0.11 -0.63 1.20 0.00 0.00 173.24 173.54 2ii8 s ILE 4 N 1.30 0.90 0.00 6.45 1.01 -1.26 -5.08 121.20 124.52 2ii8 s ILE 4 Ca 0.05 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.23 2ii8 s ILE 4 Cb -0.23 -0.77 0.00 0.00 0.01 0.00 0.00 42.46 41.47 2ii8 s ILE 4 CO -0.01 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.80 2ii8 n GLY 5 N 2.99 -1.20 3.56 6.18 0.00 -1.26 -3.73 105.19 111.73 2ii8 n GLY 5 Ca -0.16 -2.01 -0.11 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.17 -4.63 118.95 119.22 2ii8 s ARG 6 Ca 0.00 -1.48 0.26 0.00 -0.47 0.00 0.00 55.73 54.03 2ii8 s ARG 6 Cb 0.00 0.47 0.61 0.00 -0.57 0.00 0.00 34.95 35.46 2ii8 s ARG 6 CO 0.00 -0.74 1.48 0.25 -1.08 0.00 0.00 175.30 175.20 2ii8 n THR 7 N -0.47 0.00 -3.73 4.99 -2.24 -1.26 -1.70 114.28 109.88 2ii8 n THR 7 Ca -0.01 -0.16 -0.13 0.00 -2.27 0.00 0.00 64.05 61.48 2ii8 n THR 7 Cb 0.62 0.57 -0.13 0.00 -2.10 0.00 0.00 70.33 69.29 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 1.30 0.79 -0.04 0.00 0.52 0.01 -5.00 118.94 116.52 2ii8 s TRP 9 Ca -0.09 -0.28 0.04 0.00 0.02 0.00 0.00 56.10 55.79 2ii8 s TRP 9 Cb -0.11 -0.48 -0.00 0.00 -1.15 0.00 0.00 33.47 31.73 2ii8 s TRP 9 CO -0.08 -0.02 -0.17 0.00 0.02 0.00 0.00 176.95 176.69 2ii8 s ALA 10 N -0.68 1.56 -0.32 0.98 0.00 -1.26 0.19 121.76 122.22 2ii8 s ALA 10 Ca -0.01 -0.71 -0.00 0.00 0.00 0.00 0.00 51.96 51.24 2ii8 s ALA 10 Cb -0.06 -0.51 0.07 0.00 0.00 0.00 0.00 23.12 22.62 2ii8 s ALA 10 CO 0.00 0.28 0.03 0.42 0.00 0.00 0.00 175.76 176.50 2ii8 s ILE 11 N 0.02 2.77 -0.58 0.00 1.01 -0.17 -5.00 121.20 119.25 2ii8 s ILE 11 Ca -0.04 -1.74 0.21 0.00 0.00 0.00 0.00 60.65 59.08 2ii8 s ILE 11 Cb -0.12 -2.74 0.21 0.00 0.01 0.00 0.00 42.46 39.83 2ii8 s ILE 11 CO 0.02 -0.30 1.64 0.00 0.00 0.00 0.00 174.94 176.30 2ii8 n ALA 12 N 4.52 1.60 -2.48 9.38 0.00 -1.26 -1.38 120.51 130.89 2ii8 n ALA 12 Ca -0.08 0.06 -0.26 0.00 0.00 0.00 0.00 53.44 53.17 2ii8 n ALA 12 Cb 0.42 -1.34 -0.14 0.00 0.00 0.00 0.00 19.45 18.39 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 -3.26 1.40 -0.26 0.00 2.56 -1.26 -4.54 118.70 113.34 2ii8 s GLU 13 Ca 0.04 -0.94 -0.26 0.00 0.00 0.00 0.00 54.97 53.81 2ii8 s GLU 13 Cb 0.09 -1.51 0.12 0.00 2.00 0.00 0.00 34.13 34.83 2ii8 s GLU 13 CO 0.34 0.39 1.02 0.20 -0.56 0.00 0.00 175.26 176.65 2ii8 s GLY 14 N -1.18 -0.18 -0.29 -1.50 0.00 0.12 -4.75 107.32 99.54 2ii8 s GLY 14 Ca 0.07 2.55 -0.14 0.00 0.00 0.00 0.00 44.72 47.20 2ii8 s GLY 14 CO 0.02 1.69 0.83 -0.47 0.00 0.00 0.00 173.10 175.16 2ii8 s TYR 15 N -0.02 -0.93 -0.33 1.90 6.14 -1.26 -0.68 117.35 122.17 2ii8 s TYR 15 Ca 0.02 1.69 -0.09 0.00 0.64 0.00 0.00 57.07 59.33 2ii8 s TYR 15 Cb -0.04 0.56 0.01 0.00 0.42 0.00 0.00 41.96 42.91 2ii8 s TYR 15 CO -0.05 -0.46 0.15 0.42 0.64 0.00 0.00 175.55 176.25 2ii8 s ILE 16 N 2.25 4.38 0.02 3.14 1.01 -1.26 -4.86 121.20 125.88 2ii8 s ILE 16 Ca -0.06 -0.68 -0.27 0.00 0.00 0.00 0.00 60.65 59.65 2ii8 s ILE 16 Cb -0.07 -3.32 -0.16 0.00 0.01 0.00 0.00 42.46 38.92 2ii8 s ILE 16 CO -0.18 -0.04 1.18 1.55 0.00 0.00 0.00 174.94 177.45 2ii8 h PRO 17 N 8.34 -0.78 -5.81 2.79 0.13 -1.95 1.53 132.00 136.25 2ii8 h PRO 17 Ca -0.29 0.05 -0.64 0.00 -0.87 0.00 0.00 66.00 64.25 2ii8 h PRO 17 Cb 1.12 0.18 -0.05 0.00 0.13 0.00 0.00 31.00 32.38 2ii8 h PRO 17 CO 0.63 -0.47 -0.46 -1.01 -0.23 0.00 0.00 178.00 176.45 2ii8 s HIS 30 N -4.79 3.56 -0.73 1.56 0.09 -1.26 -4.60 115.29 109.13 2ii8 s HIS 30 Ca -0.14 0.43 -0.26 0.00 -0.00 0.00 0.00 55.06 55.09 2ii8 s HIS 30 Cb 0.02 -1.88 -0.04 0.00 -0.00 0.00 0.00 32.58 30.67 2ii8 s HIS 30 CO 0.47 0.65 1.95 -1.21 -0.00 0.00 0.00 174.74 176.61 2ii8 s GLU 31 N -1.77 2.52 -0.07 1.40 0.41 -1.26 -4.81 118.70 115.13 2ii8 s GLU 31 Ca 0.26 0.30 0.01 0.00 -0.41 0.00 0.00 54.97 55.13 2ii8 s GLU 31 Cb -0.13 -4.68 0.02 0.00 -1.78 0.00 0.00 34.13 27.56 2ii8 s GLU 31 CO 0.16 -3.10 -0.09 0.99 -0.49 0.00 0.00 175.26 172.73 2ii8 s THR 32 N 9.92 0.95 -0.28 3.63 2.01 -1.24 -0.99 115.64 129.64 2ii8 s THR 32 Ca 0.71 -0.34 -0.17 0.00 0.31 0.00 0.00 61.69 62.20 2ii8 s THR 32 Cb -0.11 -0.91 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 2ii8 s THR 32 CO 0.12 0.32 0.46 -0.69 -0.69 0.00 0.00 174.62 174.15 2ii8 s VAL 33 N 0.96 5.10 -0.09 3.82 1.01 0.23 -2.38 120.40 129.06 2ii8 s VAL 33 Ca -0.09 0.68 -0.14 0.00 0.00 0.00 0.00 61.98 62.42 2ii8 s VAL 33 Cb -0.15 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 2ii8 s VAL 33 CO 0.00 0.06 0.34 0.00 0.00 0.00 0.00 175.10 175.50 2ii8 s ILE 35 N -0.32 1.20 -0.12 0.00 1.01 -0.06 -0.57 121.20 122.35 2ii8 s ILE 35 Ca 0.20 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.30 2ii8 s ILE 35 Cb -0.15 -1.06 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 2ii8 s ILE 35 CO 0.08 0.36 -0.15 -0.22 0.00 0.00 0.00 174.94 175.01 2ii8 s LEU 36 N 0.28 2.59 -0.37 2.97 2.96 0.53 -0.75 118.68 126.89 2ii8 s LEU 36 Ca -0.07 -0.36 -0.01 0.00 -0.22 0.00 0.00 54.13 53.47 2ii8 s LEU 36 Cb -0.12 -1.57 0.10 0.00 0.50 0.00 0.00 46.19 45.10 2ii8 s LEU 36 CO 0.02 0.18 0.13 0.21 -1.32 0.00 0.00 176.35 175.57 2ii8 s ASN 37 N 0.26 5.06 0.00 3.68 3.04 0.29 -1.00 114.94 126.26 2ii8 s ASN 37 Ca -0.11 -1.94 0.27 0.00 0.04 0.00 0.00 52.86 51.13 2ii8 s ASN 37 Cb -0.16 -1.75 0.89 0.00 -1.54 0.00 0.00 41.25 38.69 2ii8 s ASN 37 CO 0.06 -0.45 1.65 0.00 -3.04 0.00 0.00 177.10 175.32 2ii8 n ALA 38 N 4.50 3.01 -1.97 1.71 0.00 -1.26 -0.50 120.51 126.00 2ii8 n ALA 38 Ca -0.02 -0.34 -0.25 0.00 0.00 0.00 0.00 53.44 52.82 2ii8 n ALA 38 Cb 0.42 -1.21 0.13 0.00 0.00 0.00 0.00 19.45 18.79 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 -2.57 1.76 0.00 0.00 0.00 -1.24 -4.47 107.32 100.80 2ii8 s GLY 39 Ca 0.24 -1.51 0.27 0.00 0.00 0.00 0.00 44.72 43.71 2ii8 s GLY 39 CO 0.53 -0.91 1.67 1.22 0.00 0.00 0.00 173.10 175.61 2ii8 n ASP 40 N -3.09 1.72 -4.20 1.64 8.00 -1.26 -1.04 116.55 118.33 2ii8 n ASP 40 Ca 0.14 -1.58 -0.29 0.00 0.71 0.00 0.00 54.79 53.77 2ii8 n ASP 40 Cb 0.60 -0.01 -0.16 0.00 -0.02 0.00 0.00 41.12 41.53 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 -1.98 2.20 0.50 -1.24 2.12 -1.26 -4.80 118.70 114.24 2ii8 s GLU 41 Ca 0.36 -0.75 -0.21 0.00 0.36 0.00 0.00 54.97 54.73 2ii8 s GLU 41 Cb 0.21 -1.87 -0.09 0.00 0.26 0.00 0.00 34.13 32.64 2ii8 s GLU 41 CO 0.33 0.29 0.80 -0.25 -0.54 0.00 0.00 175.26 175.89 2ii8 n ASP 42 N 3.11 0.22 -4.44 -1.70 8.00 -1.26 -4.27 116.55 116.20 2ii8 n ASP 42 Ca -0.18 0.89 -0.36 0.00 0.71 0.00 0.00 54.79 55.85 2ii8 n ASP 42 Cb 0.52 -1.28 -0.13 0.00 -0.02 0.00 0.00 41.12 40.22 2ii8 n ASP 42 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ii8 s ALA 43 N -1.47 3.10 -0.54 2.24 0.00 0.64 -4.82 121.76 120.91 2ii8 s ALA 43 Ca 0.67 -1.07 -0.18 0.00 0.00 0.00 0.00 51.96 51.38 2ii8 s ALA 43 Cb -0.51 -1.94 0.09 0.00 0.00 0.00 0.00 23.12 20.76 2ii8 s ALA 43 CO 0.54 -0.34 0.62 -1.01 0.00 0.00 0.00 175.76 175.57 2ii8 s HIS 44 N 1.35 3.07 -0.08 0.00 3.76 -1.26 -0.89 115.29 121.23 2ii8 s HIS 44 Ca 0.05 -0.84 -0.05 0.00 -0.15 0.00 0.00 55.06 54.07 2ii8 s HIS 44 Cb -0.15 -3.73 -0.04 0.00 1.11 0.00 0.00 32.58 29.78 2ii8 s HIS 44 CO 0.02 -1.12 0.13 0.08 -0.85 0.00 0.00 174.74 173.01 2ii8 s VAL 45 N 2.44 5.34 -0.09 -0.90 1.01 0.26 -3.24 120.40 125.23 2ii8 s VAL 45 Ca 0.11 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.15 2ii8 s VAL 45 Cb -0.23 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 32.80 2ii8 s VAL 45 CO 0.08 0.53 -0.11 -1.61 0.00 0.00 0.00 175.10 173.99 2ii8 s GLU 46 N -1.28 1.71 -0.13 2.72 2.02 -0.36 -1.76 118.70 121.61 2ii8 s GLU 46 Ca 0.18 -0.38 -0.05 0.00 0.02 0.00 0.00 54.97 54.75 2ii8 s GLU 46 Cb -0.12 -1.54 -0.04 0.00 0.10 0.00 0.00 34.13 32.53 2ii8 s GLU 46 CO 0.08 -0.10 0.04 0.42 0.02 0.00 0.00 175.26 175.73 2ii8 s ILE 47 N 1.09 4.63 -0.06 -1.63 1.01 0.40 -0.85 121.20 125.79 2ii8 s ILE 47 Ca -0.06 -0.11 0.03 0.00 0.00 0.00 0.00 60.65 60.51 2ii8 s ILE 47 Cb -0.14 -3.02 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 2ii8 s ILE 47 CO -0.02 0.55 -0.15 -0.89 0.00 0.00 0.00 174.94 174.43 2ii8 s THR 48 N -0.34 2.96 -0.16 2.92 2.01 0.07 -0.67 115.64 122.42 2ii8 s THR 48 Ca 0.08 -0.75 -0.03 0.00 0.31 0.00 0.00 61.69 61.31 2ii8 s THR 48 Cb -0.12 -2.17 -0.02 0.00 0.01 0.00 0.00 72.50 70.20 2ii8 s THR 48 CO 0.02 0.58 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.83 2ii8 s ILE 49 N -0.48 3.56 0.05 1.82 -1.09 0.09 -0.51 121.20 124.64 2ii8 s ILE 49 Ca 0.06 -0.47 0.04 0.00 -2.23 0.00 0.00 60.65 58.06 2ii8 s ILE 49 Cb -0.12 -2.56 -0.04 0.00 -1.58 0.00 0.00 42.46 38.17 2ii8 s ILE 49 CO 0.02 0.48 -0.04 -0.31 -1.23 0.00 0.00 174.94 173.86 2ii8 s TYR 50 N 0.62 2.93 0.35 3.97 1.51 0.11 -0.78 117.35 126.06 2ii8 s TYR 50 Ca -0.04 -0.04 0.04 0.00 -1.01 0.00 0.00 57.07 56.03 2ii8 s TYR 50 Cb -0.15 -1.56 -0.06 0.00 -0.11 0.00 0.00 41.96 40.08 2ii8 s TYR 50 CO 0.03 0.43 0.05 0.71 -1.11 0.00 0.00 175.55 175.66 2ii8 s TYR 51 N -1.16 2.06 -0.91 2.71 2.02 -1.26 -1.28 117.35 119.54 2ii8 s TYR 51 Ca 0.21 -0.92 0.26 0.00 -0.37 0.00 0.00 57.07 56.25 2ii8 s TYR 51 Cb -0.11 -1.38 0.78 0.00 -0.40 0.00 0.00 41.96 40.85 2ii8 s TYR 51 CO 0.13 0.08 1.63 -1.13 -1.57 0.00 0.00 175.55 174.69 2ii8 n SER 52 N -0.80 0.38 -0.18 2.29 3.41 -1.26 -4.38 113.62 113.09 2ii8 n SER 52 Ca -0.04 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 2ii8 n SER 52 Cb 0.67 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2ii8 n SER 52 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2ii8 n ASP 53 N -1.68 0.00 -3.46 4.04 5.68 -1.26 -5.10 116.55 114.76 2ii8 n ASP 53 Ca 0.06 -1.25 -0.13 0.00 -0.50 0.00 0.00 54.79 52.97 2ii8 n ASP 53 Cb 0.36 -0.05 -0.03 0.00 -1.14 0.00 0.00 41.12 40.26 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 1.22 0.70 0.11 -2.85 -1.26 -5.16 119.74 112.49 2ii8 s LYS 54 Ca 0.00 -0.38 -0.16 0.00 -1.00 0.00 0.00 55.97 54.42 2ii8 s LYS 54 Cb 0.00 0.56 0.01 0.00 -2.06 0.00 0.00 37.83 36.34 2ii8 s LYS 54 CO 0.00 -0.51 1.10 0.39 0.10 0.00 0.00 175.35 176.43 2ii8 n GLU 55 N -0.15 0.66 -1.04 1.78 -0.58 -1.26 -4.14 120.64 115.91 2ii8 n GLU 55 Ca -0.17 0.29 -0.31 0.00 -0.42 0.00 0.00 57.16 56.54 2ii8 n GLU 55 Cb 0.64 -2.34 0.12 0.00 -0.57 0.00 0.00 31.44 29.29 2ii8 n GLU 55 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2ii8 s PRO 56 N -3.41 1.67 -0.06 3.49 0.04 -1.26 -4.75 135.00 130.72 2ii8 s PRO 56 Ca 0.76 1.27 0.06 0.00 0.04 0.00 0.00 61.00 63.13 2ii8 s PRO 56 Cb -0.35 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 2ii8 s PRO 56 CO 0.47 -2.08 -0.24 0.08 0.04 0.00 0.00 177.00 175.26 2ii8 s VAL 57 N -2.81 2.13 -5.00 -0.36 1.01 0.04 -4.95 120.40 110.47 2ii8 s VAL 57 Ca 0.63 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.58 2ii8 s VAL 57 Cb -0.19 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.41 2ii8 s VAL 57 CO 0.57 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.85 2ii8 n GLY 58 N 2.98 -1.02 3.75 4.51 0.00 -1.26 -0.73 105.19 113.42 2ii8 n GLY 58 Ca -0.18 -1.37 -0.40 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.98 4.78 -0.23 1.61 0.04 -1.26 -4.97 135.00 132.98 2ii8 s PRO 59 Ca 0.00 1.58 -0.21 0.00 0.04 0.00 0.00 61.00 62.40 2ii8 s PRO 59 Cb 0.00 -3.26 -0.02 0.00 0.04 0.00 0.00 34.50 31.26 2ii8 s PRO 59 CO 0.00 0.40 0.68 0.71 0.04 0.00 0.00 177.00 178.83 2ii8 s TYR 60 N -1.05 3.32 -0.10 0.56 1.51 0.15 -4.44 117.35 117.29 2ii8 s TYR 60 Ca 0.43 0.92 -0.05 0.00 -1.01 0.00 0.00 57.07 57.36 2ii8 s TYR 60 Cb -0.27 -2.88 -0.04 0.00 -0.11 0.00 0.00 41.96 38.66 2ii8 s TYR 60 CO 0.34 -0.30 0.10 1.03 -1.11 0.00 0.00 175.55 175.61 2ii8 s ARG 61 N 2.41 3.28 0.08 -0.62 0.52 -1.26 -0.46 118.95 122.90 2ii8 s ARG 61 Ca 0.29 -0.24 -0.23 0.00 -0.52 0.00 0.00 55.73 55.03 2ii8 s ARG 61 Cb -0.16 -3.05 0.06 0.00 0.52 0.00 0.00 34.95 32.32 2ii8 s ARG 61 CO 0.09 0.75 0.56 -0.48 0.02 0.00 0.00 175.30 176.23 2ii8 s LEU 62 N -1.06 -0.28 -0.11 2.53 0.05 -0.73 -5.02 118.68 114.07 2ii8 s LEU 62 Ca 0.15 0.16 -0.01 0.00 0.05 0.00 0.00 54.13 54.48 2ii8 s LEU 62 Cb -0.12 2.31 -0.03 0.00 -2.05 0.00 0.00 46.19 46.31 2ii8 s LEU 62 CO 0.05 -0.79 -0.06 -0.89 -0.55 0.00 0.00 176.35 174.10 2ii8 s THR 63 N -2.79 3.72 -0.31 5.48 2.01 -1.26 -0.57 115.64 121.91 2ii8 s THR 63 Ca -0.03 -0.45 -0.01 0.00 0.31 0.00 0.00 61.69 61.51 2ii8 s THR 63 Cb -0.00 -2.57 0.06 0.00 0.01 0.00 0.00 72.50 70.00 2ii8 s THR 63 CO -0.04 0.55 0.01 -0.69 -0.69 0.00 0.00 174.62 173.76 2ii8 s VAL 64 N -0.24 2.84 0.89 3.82 1.01 -0.07 -4.96 120.40 123.69 2ii8 s VAL 64 Ca 0.03 -1.59 -0.10 0.00 0.00 0.00 0.00 61.98 60.32 2ii8 s VAL 64 Cb -0.13 -2.71 0.13 0.00 0.00 0.00 0.00 36.38 33.67 2ii8 s VAL 64 CO 0.03 -0.21 1.14 -2.84 0.00 0.00 0.00 175.10 173.22 2ii8 s PRO 65 N 1.18 1.24 0.05 2.72 0.02 -1.26 -0.26 135.00 138.69 2ii8 s PRO 65 Ca -0.03 1.51 -0.37 0.00 0.02 0.00 0.00 61.00 62.13 2ii8 s PRO 65 Cb -0.20 -1.76 -0.16 0.00 0.02 0.00 0.00 34.50 32.40 2ii8 s PRO 65 CO -0.03 -2.46 1.39 0.00 -0.33 0.00 0.00 177.00 175.57 2ii8 n ALA 66 N -4.07 -0.81 -3.37 -1.55 0.00 -1.26 -2.40 120.51 107.06 2ii8 n ALA 66 Ca 0.12 0.50 -0.19 0.00 0.00 0.00 0.00 53.44 53.87 2ii8 n ALA 66 Cb 0.52 -2.10 0.06 0.00 0.00 0.00 0.00 19.45 17.93 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 2.87 -6.37 -4.16 0.00 1.74 0.35 -4.96 116.66 106.13 2ii8 n ARG 67 Ca 0.19 0.67 -0.10 0.00 -0.77 0.00 0.00 57.85 57.84 2ii8 n ARG 67 Cb 0.19 -5.22 -0.10 0.00 -1.02 0.00 0.00 32.46 26.31 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 -6.00 0.89 0.25 5.56 1.81 -0.42 -4.98 118.95 116.06 2ii8 s ARG 68 Ca 0.44 -1.40 0.09 0.00 -1.72 0.00 0.00 55.73 53.15 2ii8 s ARG 68 Cb -0.20 0.10 -0.04 0.00 -0.45 0.00 0.00 34.95 34.36 2ii8 s ARG 68 CO 0.59 -0.18 -0.02 -0.08 -0.68 0.00 0.00 175.30 174.93 2ii8 s THR 69 N -3.91 3.43 -0.12 0.02 -1.32 -1.26 -0.54 115.64 111.94 2ii8 s THR 69 Ca 0.19 -1.85 -0.07 0.00 -1.21 0.00 0.00 61.69 58.76 2ii8 s THR 69 Cb 0.07 -2.81 0.04 0.00 -1.51 0.00 0.00 72.50 68.30 2ii8 s THR 69 CO -0.01 -0.32 0.28 -0.75 -2.21 0.00 0.00 174.62 171.61 2ii8 s LYS 70 N -3.51 0.26 -0.29 7.08 2.20 0.07 -4.97 119.74 120.60 2ii8 s LYS 70 Ca 0.30 0.54 -0.09 0.00 -0.36 0.00 0.00 55.97 56.36 2ii8 s LYS 70 Cb -0.07 -0.05 -0.02 0.00 -1.51 0.00 0.00 37.83 36.18 2ii8 s LYS 70 CO 0.19 -0.14 0.14 -1.01 -0.36 0.00 0.00 175.35 174.18 2ii8 s HIS 71 N 1.05 3.16 -0.26 4.03 3.76 -1.26 -0.88 115.29 124.90 2ii8 s HIS 71 Ca -0.07 -0.34 -0.08 0.00 -0.15 0.00 0.00 55.06 54.42 2ii8 s HIS 71 Cb -0.08 -2.33 -0.03 0.00 1.11 0.00 0.00 32.58 31.24 2ii8 s HIS 71 CO -0.07 -0.35 0.09 0.08 -0.85 0.00 0.00 174.74 173.64 2ii8 s VAL 72 N 1.66 4.46 -0.06 -0.90 1.01 0.13 -4.95 120.40 121.75 2ii8 s VAL 72 Ca 0.06 -0.13 -0.26 0.00 0.00 0.00 0.00 61.98 61.65 2ii8 s VAL 72 Cb -0.16 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 2ii8 s VAL 72 CO 0.07 0.32 0.80 -0.13 0.00 0.00 0.00 175.10 176.15 2ii8 s ARG 73 N 1.64 4.46 0.24 2.72 0.52 -1.26 -0.60 118.95 126.66 2ii8 s ARG 73 Ca 0.06 1.06 -0.05 0.00 -0.52 0.00 0.00 55.73 56.28 2ii8 s ARG 73 Cb -0.15 -3.47 0.34 0.00 0.52 0.00 0.00 34.95 32.19 2ii8 s ARG 73 CO 0.05 -0.02 1.84 0.74 0.02 0.00 0.00 175.30 177.93 2ii8 h PHE 74 N 6.84 0.94 -0.71 -0.53 0.04 -1.46 -1.60 116.94 120.46 2ii8 h PHE 74 Ca -0.40 0.03 0.20 0.00 2.80 0.00 0.00 57.97 60.61 2ii8 h PHE 74 Cb 1.20 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 39.02 2ii8 h PHE 74 CO 0.67 0.45 0.59 -0.97 -0.60 0.00 0.00 178.31 178.45 2ii8 h ASN 75 N 0.91 0.00 0.32 2.17 -0.00 -1.93 -1.45 115.58 115.61 2ii8 h ASN 75 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.67 2ii8 h ASN 75 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.54 2ii8 h ASN 75 CO -0.19 0.00 -0.19 0.47 -0.00 0.00 0.00 177.43 177.52 2ii8 n ASP 76 N -3.99 0.72 -4.72 1.15 8.00 -0.60 -4.88 116.55 112.23 2ii8 n ASP 76 Ca 0.14 -0.69 -0.42 0.00 0.71 0.00 0.00 54.79 54.54 2ii8 n ASP 76 Cb 0.85 0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.95 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 -2.52 4.42 0.00 0.64 1.02 -0.55 -4.89 118.68 116.81 2ii8 s LEU 77 Ca 0.26 1.89 0.00 0.00 0.02 0.00 0.00 54.13 56.30 2ii8 s LEU 77 Cb 0.20 -3.58 0.00 0.00 0.02 0.00 0.00 46.19 42.82 2ii8 s LEU 77 CO 0.50 -0.27 0.00 -0.46 0.02 0.00 0.00 176.35 176.14 2ii8 n ASN 78 N 3.32 0.00 -4.18 2.29 6.94 -1.26 -4.09 115.26 118.28 2ii8 n ASN 78 Ca 0.05 0.00 -0.35 0.00 -0.02 0.00 0.00 54.58 54.27 2ii8 n ASN 78 Cb 0.48 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.76 2ii8 n ASN 78 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2ii8 s ASP 79 N 0.00 4.67 0.08 0.53 -1.08 -1.26 -0.92 116.67 118.69 2ii8 s ASP 79 Ca 0.00 -1.12 0.26 0.00 -0.52 0.00 0.00 52.55 51.16 2ii8 s ASP 79 Cb 0.00 -1.69 0.64 0.00 -1.46 0.00 0.00 42.92 40.41 2ii8 s ASP 79 CO 0.00 -0.21 1.54 -0.81 0.52 0.00 0.00 175.17 176.21 2ii8 n PRO 80 N 4.64 0.15 -3.58 4.34 -0.04 -1.26 -4.31 135.00 134.94 2ii8 n PRO 80 Ca -0.14 0.07 -0.13 0.00 -0.04 0.00 0.00 63.50 63.26 2ii8 n PRO 80 Cb 0.45 -1.62 -0.06 0.00 -0.04 0.00 0.00 33.50 32.22 2ii8 n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ii8 s ALA 81 N -3.08 -1.88 0.81 0.55 0.00 -0.09 -5.12 121.76 112.94 2ii8 s ALA 81 Ca 0.10 1.63 -0.13 0.00 0.00 0.00 0.00 51.96 53.56 2ii8 s ALA 81 Cb 0.15 -0.73 0.08 0.00 0.00 0.00 0.00 23.12 22.62 2ii8 s ALA 81 CO 0.66 -0.31 1.18 -2.14 0.00 0.00 0.00 175.76 175.15 2ii8 s PRO 82 N -0.69 1.67 -0.21 0.00 0.02 -1.23 -4.22 135.00 130.34 2ii8 s PRO 82 Ca -0.03 1.66 -0.21 0.00 0.02 0.00 0.00 61.00 62.44 2ii8 s PRO 82 Cb -0.02 -1.79 -0.02 0.00 0.02 0.00 0.00 34.50 32.69 2ii8 s PRO 82 CO 0.02 -2.17 0.66 0.42 -0.33 0.00 0.00 177.00 175.61 2ii8 s ILE 83 N -2.28 4.98 0.56 2.83 1.01 -1.26 -5.01 121.20 122.03 2ii8 s ILE 83 Ca 0.71 1.24 -0.21 0.00 0.00 0.00 0.00 60.65 62.39 2ii8 s ILE 83 Cb -0.26 -3.97 -0.05 0.00 0.01 0.00 0.00 42.46 38.18 2ii8 s ILE 83 CO 0.51 0.07 1.18 -0.81 0.00 0.00 0.00 174.94 175.88 2ii8 n PRO 84 N 5.33 1.34 -2.33 2.79 -0.04 -1.26 -4.98 135.00 135.85 2ii8 n PRO 84 Ca -0.00 0.50 -0.25 0.00 -0.04 0.00 0.00 63.50 63.71 2ii8 n PRO 84 Cb 0.49 -2.36 0.06 0.00 -0.04 0.00 0.00 33.50 31.64 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 -1.37 2.93 -1.31 0.54 3.76 -1.26 -4.16 115.29 114.43 2ii8 s HIS 85 Ca 0.73 0.35 -0.05 0.00 -0.15 0.00 0.00 55.06 55.93 2ii8 s HIS 85 Cb -0.43 -3.04 0.03 0.00 1.11 0.00 0.00 32.58 30.25 2ii8 s HIS 85 CO 0.49 -1.22 0.37 -3.47 -0.85 0.00 0.00 174.74 170.05 2ii8 n ASP 86 N -2.75 -4.41 -3.88 1.40 2.03 0.52 -4.95 116.55 104.51 2ii8 n ASP 86 Ca 0.08 -0.20 -0.21 0.00 0.52 0.00 0.00 54.79 54.98 2ii8 n ASP 86 Cb 0.60 -3.65 -0.17 0.00 -0.72 0.00 0.00 41.12 37.19 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 -2.91 0.57 0.24 5.18 2.01 -1.26 -5.02 115.64 114.45 2ii8 s THR 87 Ca 0.26 -0.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.85 2ii8 s THR 87 Cb -0.13 -0.62 -0.09 0.00 0.01 0.00 0.00 72.50 71.67 2ii8 s THR 87 CO 0.32 0.25 1.21 -1.81 -0.69 0.00 0.00 174.62 173.90 2ii8 s ASP 88 N 1.15 7.04 0.33 3.53 1.01 -1.26 -4.09 116.67 124.37 2ii8 s ASP 88 Ca -0.07 2.37 -0.05 0.00 0.71 0.00 0.00 52.55 55.50 2ii8 s ASP 88 Cb -0.14 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.18 2ii8 s ASP 88 CO -0.01 -0.37 0.50 0.72 0.21 0.00 0.00 175.17 176.21 2ii8 s PHE 89 N -0.53 0.87 0.13 4.23 -0.71 0.15 -4.52 117.98 117.60 2ii8 s PHE 89 Ca 0.51 -1.16 -0.00 0.00 -1.04 0.00 0.00 56.93 55.23 2ii8 s PHE 89 Cb -0.35 0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.45 2ii8 s PHE 89 CO 0.41 -1.14 0.03 0.00 -1.34 0.00 0.00 175.22 173.18 2ii8 s ALA 90 N -3.16 0.93 0.04 1.99 0.00 -0.40 -0.70 121.76 120.46 2ii8 s ALA 90 Ca 0.28 -1.46 0.02 0.00 0.00 0.00 0.00 51.96 50.80 2ii8 s ALA 90 Cb -0.01 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.79 2ii8 s ALA 90 CO 0.17 -0.43 -0.07 -1.54 0.00 0.00 0.00 175.76 173.90 2ii8 s SER 91 N -3.06 0.74 -0.09 0.00 1.04 -0.48 0.04 113.70 111.90 2ii8 s SER 91 Ca 0.21 -0.51 0.02 0.00 0.48 0.00 0.00 55.95 56.16 2ii8 s SER 91 Cb 0.07 0.04 -0.02 0.00 0.10 0.00 0.00 66.02 66.21 2ii8 s SER 91 CO 0.00 -0.20 -0.15 -0.69 0.98 0.00 0.00 173.24 173.18 2ii8 s VAL 92 N -1.31 2.93 -0.21 5.02 1.01 0.33 -1.00 120.40 127.17 2ii8 s VAL 92 Ca -0.10 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.15 2ii8 s VAL 92 Cb -0.09 -2.18 0.03 0.00 0.00 0.00 0.00 36.38 34.14 2ii8 s VAL 92 CO 0.00 0.56 -0.15 -0.63 0.00 0.00 0.00 175.10 174.88 2ii8 s ILE 93 N -0.17 2.27 0.14 2.22 1.09 0.13 -0.75 121.20 126.12 2ii8 s ILE 93 Ca -0.01 -1.14 0.10 0.00 -1.10 0.00 0.00 60.65 58.51 2ii8 s ILE 93 Cb -0.13 -2.10 -0.04 0.00 -1.06 0.00 0.00 42.46 39.13 2ii8 s ILE 93 CO 0.03 0.32 -0.21 -1.10 -0.10 0.00 0.00 174.94 173.88 2ii8 s GLN 94 N 1.25 1.64 0.04 2.79 -0.21 -0.03 -0.81 119.66 124.34 2ii8 s GLN 94 Ca 0.00 -1.31 -0.05 0.00 0.02 0.00 0.00 55.36 54.02 2ii8 s GLN 94 Cb -0.16 -2.00 -0.01 0.00 1.00 0.00 0.00 33.01 31.84 2ii8 s GLN 94 CO -0.09 0.45 0.08 0.45 -2.12 0.00 0.00 175.29 174.06 2ii8 s SER 95 N -2.29 0.21 0.32 5.90 0.15 0.70 -1.23 113.70 117.46 2ii8 s SER 95 Ca 0.18 -0.60 0.15 0.00 0.70 0.00 0.00 55.95 56.38 2ii8 s SER 95 Cb -0.10 0.23 0.44 0.00 -1.71 0.00 0.00 66.02 64.88 2ii8 s SER 95 CO 0.09 -0.53 1.62 -0.55 1.20 0.00 0.00 173.24 175.07 2ii8 h ASN 96 N 3.55 0.00 -3.35 5.45 -0.00 -1.86 -3.44 115.58 115.92 2ii8 h ASN 96 Ca -0.33 0.00 -0.47 0.00 -0.00 0.00 0.00 56.30 55.50 2ii8 h ASN 96 Cb 1.18 0.00 -0.16 0.00 -0.00 0.00 0.00 38.32 39.34 2ii8 h ASN 96 CO 0.53 0.50 -0.75 0.68 -0.00 0.00 0.00 177.43 178.38 2ii8 s VAL 97 N -3.42 1.75 0.33 6.14 -7.23 -1.26 -5.03 120.40 111.67 2ii8 s VAL 97 Ca 0.01 -2.08 -0.29 0.00 -1.81 0.00 0.00 61.98 57.80 2ii8 s VAL 97 Cb 0.11 -1.95 -0.12 0.00 0.56 0.00 0.00 36.38 34.99 2ii8 s VAL 97 CO 0.72 -0.49 1.52 -2.65 -0.31 0.00 0.00 175.10 173.89 2ii8 n PRO 98 N -0.10 2.61 -4.08 4.82 -0.02 -1.26 -4.55 135.00 132.41 2ii8 n PRO 98 Ca -0.10 0.92 -0.08 0.00 -2.02 0.00 0.00 63.50 62.22 2ii8 n PRO 98 Cb 0.59 -2.66 -0.10 0.00 -0.02 0.00 0.00 33.50 31.31 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 -0.56 0.19 -0.14 4.25 -4.36 -0.69 -4.70 121.20 115.19 2ii8 s ILE 99 Ca 0.59 -1.76 -0.02 0.00 -0.26 0.00 0.00 60.65 59.20 2ii8 s ILE 99 Cb -0.50 -1.60 -0.02 0.00 1.25 0.00 0.00 42.46 41.58 2ii8 s ILE 99 CO 0.56 -0.86 -0.07 -0.69 0.24 0.00 0.00 174.94 174.11 2ii8 s VAL 100 N -3.94 3.58 -0.05 8.37 1.01 -0.17 -1.00 120.40 128.21 2ii8 s VAL 100 Ca 0.10 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.64 2ii8 s VAL 100 Cb 0.08 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.92 2ii8 s VAL 100 CO -0.08 0.51 -0.15 -0.69 0.00 0.00 0.00 175.10 174.69 2ii8 s VAL 101 N 0.25 1.29 0.01 2.92 1.01 -1.26 -0.35 120.40 124.27 2ii8 s VAL 101 Ca -0.05 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.32 2ii8 s VAL 101 Cb -0.14 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 2ii8 s VAL 101 CO 0.04 0.38 -0.04 -1.58 0.00 0.00 0.00 175.10 173.90 2ii8 s GLN 102 N 0.21 0.29 -0.13 2.72 0.74 0.27 -4.99 119.66 118.76 2ii8 s GLN 102 Ca -0.07 -0.33 -0.01 0.00 0.05 0.00 0.00 55.36 55.01 2ii8 s GLN 102 Cb -0.12 -0.16 -0.02 0.00 1.10 0.00 0.00 33.01 33.82 2ii8 s GLN 102 CO 0.02 0.03 -0.12 -1.58 -0.55 0.00 0.00 175.29 173.10 2ii8 s HIS 103 N -0.60 2.84 0.00 1.67 5.65 -1.26 -0.94 115.29 122.64 2ii8 s HIS 103 Ca -0.05 -0.62 0.00 0.00 0.25 0.00 0.00 55.06 54.65 2ii8 s HIS 103 Cb -0.05 -1.86 0.00 0.00 -1.18 0.00 0.00 32.58 29.49 2ii8 s HIS 103 CO -0.00 -0.20 0.00 2.41 -0.65 0.00 0.00 174.74 176.30