#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ii9 s LEU 2 N 0.00 4.07 -0.19 2.46 2.96 -1.26 -5.02 118.68 121.69 2ii9 s LEU 2 Ca 0.00 0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 54.10 2ii9 s LEU 2 Cb 0.00 -2.37 0.01 0.00 0.50 0.00 0.00 46.19 44.32 2ii9 s LEU 2 CO 0.00 -0.18 -0.15 -0.55 -1.32 0.00 0.00 176.35 174.15 2ii9 s SER 3 N 1.67 3.54 -0.08 3.68 0.15 -1.26 -3.94 113.70 117.46 2ii9 s SER 3 Ca 0.14 -0.56 -0.07 0.00 0.70 0.00 0.00 55.95 56.16 2ii9 s SER 3 Cb -0.16 -1.57 0.02 0.00 -1.71 0.00 0.00 66.02 62.60 2ii9 s SER 3 CO 0.10 -0.00 0.20 -0.51 1.20 0.00 0.00 173.24 174.23 2ii9 s ILE 4 N 1.32 -0.00 0.00 6.45 2.07 -1.26 -5.10 121.20 124.68 2ii9 s ILE 4 Ca 0.05 0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.30 2ii9 s ILE 4 Cb -0.14 -0.29 0.00 0.00 0.13 0.00 0.00 42.46 42.16 2ii9 s ILE 4 CO -0.09 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.55 2ii9 n GLY 5 N 3.05 -1.12 3.40 1.50 0.00 -1.26 -3.83 105.19 106.93 2ii9 n GLY 5 Ca -0.13 -2.10 -0.12 0.00 0.00 0.00 0.00 46.02 43.67 2ii9 n GLY 5 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ii9 s ARG 6 N 0.00 1.52 0.00 1.61 1.70 -0.45 -4.68 118.95 118.66 2ii9 s ARG 6 Ca 0.00 -1.57 0.26 0.00 -0.47 0.00 0.00 55.73 53.95 2ii9 s ARG 6 Cb 0.00 0.38 0.70 0.00 -0.57 0.00 0.00 34.95 35.45 2ii9 s ARG 6 CO 0.00 -0.59 1.53 0.25 -1.08 0.00 0.00 175.30 175.41 2ii9 n THR 7 N -0.40 0.00 -3.88 4.99 -2.24 -1.26 -1.11 114.28 110.38 2ii9 n THR 7 Ca 0.01 -0.13 -0.17 0.00 -2.27 0.00 0.00 64.05 61.49 2ii9 n THR 7 Cb 0.63 0.44 -0.16 0.00 -2.10 0.00 0.00 70.33 69.14 2ii9 n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ii9 s TRP 9 N 1.18 0.52 -0.06 0.00 0.52 0.12 -5.00 118.94 116.22 2ii9 s TRP 9 Ca -0.08 -0.30 0.03 0.00 0.02 0.00 0.00 56.10 55.77 2ii9 s TRP 9 Cb -0.13 -0.32 0.01 0.00 -1.15 0.00 0.00 33.47 31.87 2ii9 s TRP 9 CO -0.02 -0.05 -0.15 0.00 0.02 0.00 0.00 176.95 176.75 2ii9 s ALA 10 N -0.78 1.42 -0.26 0.98 0.00 -1.26 -0.87 121.76 120.98 2ii9 s ALA 10 Ca -0.05 -0.55 -0.02 0.00 0.00 0.00 0.00 51.96 51.34 2ii9 s ALA 10 Cb -0.06 -0.56 0.03 0.00 0.00 0.00 0.00 23.12 22.53 2ii9 s ALA 10 CO 0.00 0.18 -0.04 0.42 0.00 0.00 0.00 175.76 176.33 2ii9 s ILE 11 N 0.42 2.96 -0.99 0.00 1.01 0.30 -5.00 121.20 119.90 2ii9 s ILE 11 Ca -0.11 -1.10 0.25 0.00 0.00 0.00 0.00 60.65 59.68 2ii9 s ILE 11 Cb -0.14 -2.56 0.21 0.00 0.01 0.00 0.00 42.46 39.97 2ii9 s ILE 11 CO 0.04 0.11 1.80 0.00 0.00 0.00 0.00 174.94 176.89 2ii9 n ALA 12 N 4.67 2.15 -2.63 9.38 0.00 -1.26 -0.85 120.51 131.96 2ii9 n ALA 12 Ca -0.15 -0.09 -0.23 0.00 0.00 0.00 0.00 53.44 52.97 2ii9 n ALA 12 Cb 0.46 -1.41 -0.07 0.00 0.00 0.00 0.00 19.45 18.43 2ii9 n ALA 12 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2ii9 s GLU 13 N -3.00 2.24 0.00 0.00 2.56 -1.26 -4.53 118.70 114.70 2ii9 s GLU 13 Ca 0.12 -1.44 0.00 0.00 0.00 0.00 0.00 54.97 53.65 2ii9 s GLU 13 Cb 0.16 -2.13 0.00 0.00 2.00 0.00 0.00 34.13 34.17 2ii9 s GLU 13 CO 0.46 0.36 0.00 0.41 -0.56 0.00 0.00 175.26 175.93 2ii9 n GLY 14 N -0.85 1.03 3.24 -1.50 0.00 -0.62 -4.53 105.19 101.96 2ii9 n GLY 14 Ca -0.06 0.49 -0.10 0.00 0.00 0.00 0.00 46.02 46.34 2ii9 n GLY 14 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ii9 s TYR 15 N 0.00 -0.63 -0.28 1.61 5.04 -1.26 -1.20 117.35 120.62 2ii9 s TYR 15 Ca 0.00 1.31 -0.09 0.00 -2.44 0.00 0.00 57.07 55.85 2ii9 s TYR 15 Cb 0.00 0.24 -0.02 0.00 0.35 0.00 0.00 41.96 42.53 2ii9 s TYR 15 CO 0.00 -0.38 0.13 0.42 -1.34 0.00 0.00 175.55 174.38 2ii9 s ILE 16 N 1.85 4.60 0.90 3.14 1.01 -1.26 -3.22 121.20 128.22 2ii9 s ILE 16 Ca -0.06 -0.25 -0.12 0.00 0.00 0.00 0.00 60.65 60.22 2ii9 s ILE 16 Cb -0.10 -3.25 0.18 0.00 0.01 0.00 0.00 42.46 39.30 2ii9 s ILE 16 CO -0.12 0.19 1.24 -2.16 0.00 0.00 0.00 174.94 174.09 2ii9 s PRO 17 N 1.63 0.89 0.47 2.79 0.04 -1.26 -0.05 135.00 139.52 2ii9 s PRO 17 Ca 0.06 -0.59 -0.23 0.00 0.04 0.00 0.00 61.00 60.27 2ii9 s PRO 17 Cb -0.16 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 2ii9 s PRO 17 CO 0.06 -2.18 1.15 -2.30 0.04 0.00 0.00 177.00 173.77 2ii9 n PRO 18 N -3.54 1.55 -3.70 0.56 -0.02 -1.26 -4.78 135.00 123.81 2ii9 n PRO 18 Ca 0.15 0.56 -0.14 0.00 -2.02 0.00 0.00 63.50 62.05 2ii9 n PRO 18 Cb 0.60 -2.26 -0.14 0.00 -0.02 0.00 0.00 33.50 31.67 2ii9 n PRO 18 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2ii9 s TYR 19 N -1.29 -0.27 0.00 6.00 6.14 -1.26 -5.16 117.35 121.51 2ii9 s TYR 19 Ca 0.65 0.71 0.00 0.00 0.64 0.00 0.00 57.07 59.08 2ii9 s TYR 19 Cb -0.50 -0.09 0.00 0.00 0.42 0.00 0.00 41.96 41.79 2ii9 s TYR 19 CO 0.55 -0.26 0.00 0.41 0.64 0.00 0.00 175.55 176.89 2ii9 n GLY 20 N 4.82 1.69 0.00 8.97 0.00 -1.26 -5.27 105.19 114.13 2ii9 n GLY 20 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2ii9 n GLY 20 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ii9 n GLU 31 N -0.44 0.00 -4.23 1.61 2.13 -1.20 -5.36 120.64 113.15 2ii9 n GLU 31 Ca 0.00 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.63 2ii9 n GLU 31 Cb 0.00 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 31.59 2ii9 n GLU 31 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2ii9 s THR 32 N 0.00 1.34 -0.02 6.31 2.01 -1.26 0.29 115.64 124.31 2ii9 s THR 32 Ca 0.00 -1.56 0.01 0.00 0.31 0.00 0.00 61.69 60.45 2ii9 s THR 32 Cb 0.00 -1.39 0.01 0.00 0.01 0.00 0.00 72.50 71.12 2ii9 s THR 32 CO 0.00 -0.29 -0.04 -0.69 -0.69 0.00 0.00 174.62 172.91 2ii9 s VAL 33 N -1.68 0.39 -0.16 3.82 1.01 -0.33 -4.64 120.40 118.81 2ii9 s VAL 33 Ca 0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 2ii9 s VAL 33 Cb -0.07 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 2ii9 s VAL 33 CO 0.03 0.14 -0.03 0.00 0.00 0.00 0.00 175.10 175.24 2ii9 s ILE 35 N 0.38 2.45 -0.15 0.00 1.01 -0.00 -1.35 121.20 123.54 2ii9 s ILE 35 Ca -0.04 -0.88 -0.03 0.00 0.00 0.00 0.00 60.65 59.70 2ii9 s ILE 35 Cb -0.14 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 2ii9 s ILE 35 CO 0.03 0.55 -0.06 -0.22 0.00 0.00 0.00 174.94 175.23 2ii9 s LEU 36 N 0.29 3.07 -0.49 2.97 2.96 0.88 -0.23 118.68 128.13 2ii9 s LEU 36 Ca -0.14 -0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 53.55 2ii9 s LEU 36 Cb -0.17 -1.73 0.13 0.00 0.50 0.00 0.00 46.19 44.92 2ii9 s LEU 36 CO 0.07 0.16 0.27 0.21 -1.32 0.00 0.00 176.35 175.74 2ii9 s ASN 37 N 0.42 5.05 0.00 3.68 2.47 -0.21 -0.74 114.94 125.62 2ii9 s ASN 37 Ca -0.06 -2.47 0.31 0.00 0.42 0.00 0.00 52.86 51.06 2ii9 s ASN 37 Cb -0.15 -1.78 1.65 0.00 -1.45 0.00 0.00 41.25 39.52 2ii9 s ASN 37 CO 0.04 -0.42 2.10 0.00 -3.72 0.00 0.00 177.10 175.10 2ii9 n ALA 38 N 3.96 2.64 -2.72 1.71 0.00 -1.26 -1.72 120.51 123.11 2ii9 n ALA 38 Ca 0.03 -0.21 -0.23 0.00 0.00 0.00 0.00 53.44 53.02 2ii9 n ALA 38 Cb 0.39 -1.46 0.11 0.00 0.00 0.00 0.00 19.45 18.49 2ii9 n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ii9 n GLY 39 N 1.12 0.99 1.01 0.00 0.00 -1.25 -4.53 105.19 102.53 2ii9 n GLY 39 Ca 0.20 -2.08 0.10 0.00 0.00 0.00 0.00 46.02 44.24 2ii9 n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ii9 n ASP 40 N -2.76 2.97 -4.22 1.61 8.00 -1.26 -1.28 116.55 119.62 2ii9 n ASP 40 Ca 0.16 -1.95 -0.27 0.00 0.71 0.00 0.00 54.79 53.44 2ii9 n ASP 40 Cb 0.59 -0.30 -0.16 0.00 -0.02 0.00 0.00 41.12 41.23 2ii9 n ASP 40 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2ii9 s GLU 41 N -1.39 1.71 0.39 -1.24 2.12 -1.26 -4.85 118.70 114.18 2ii9 s GLU 41 Ca 0.38 -0.74 -0.28 0.00 0.36 0.00 0.00 54.97 54.69 2ii9 s GLU 41 Cb 0.20 -1.64 -0.11 0.00 0.26 0.00 0.00 34.13 32.85 2ii9 s GLU 41 CO 0.28 0.44 1.49 -0.25 -0.54 0.00 0.00 175.26 176.68 2ii9 n ASP 42 N 2.59 3.76 -4.62 -1.70 8.00 -1.26 -4.21 116.55 119.11 2ii9 n ASP 42 Ca -0.15 1.21 -0.38 0.00 0.71 0.00 0.00 54.79 56.18 2ii9 n ASP 42 Cb 0.53 -1.62 -0.09 0.00 -0.02 0.00 0.00 41.12 39.91 2ii9 n ASP 42 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ii9 s ALA 43 N -1.13 3.56 -0.45 2.24 0.00 0.04 -4.86 121.76 121.16 2ii9 s ALA 43 Ca 0.54 -0.86 -0.19 0.00 0.00 0.00 0.00 51.96 51.46 2ii9 s ALA 43 Cb -0.47 -2.56 0.04 0.00 0.00 0.00 0.00 23.12 20.13 2ii9 s ALA 43 CO 0.63 -0.48 0.54 -1.01 0.00 0.00 0.00 175.76 175.44 2ii9 s HIS 44 N 1.67 3.11 -0.01 0.00 3.76 -1.26 -0.60 115.29 121.96 2ii9 s HIS 44 Ca 0.12 -0.37 -0.08 0.00 -0.15 0.00 0.00 55.06 54.57 2ii9 s HIS 44 Cb -0.15 -3.21 -0.05 0.00 1.11 0.00 0.00 32.58 30.28 2ii9 s HIS 44 CO 0.09 -0.84 0.28 0.08 -0.85 0.00 0.00 174.74 173.49 2ii9 s VAL 45 N 2.42 5.27 -0.06 -0.90 1.01 0.35 -3.18 120.40 125.32 2ii9 s VAL 45 Ca 0.15 0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.49 2ii9 s VAL 45 Cb -0.17 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.63 2ii9 s VAL 45 CO 0.14 0.43 -0.21 -1.61 0.00 0.00 0.00 175.10 173.85 2ii9 s GLU 46 N -1.55 2.32 -0.13 2.72 2.02 0.32 -1.77 118.70 122.63 2ii9 s GLU 46 Ca 0.25 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.48 2ii9 s GLU 46 Cb -0.14 -1.93 -0.01 0.00 0.10 0.00 0.00 34.13 32.16 2ii9 s GLU 46 CO 0.14 0.27 -0.14 0.42 0.02 0.00 0.00 175.26 175.97 2ii9 s ILE 47 N 0.06 2.92 -0.11 -1.63 1.01 0.02 -0.63 121.20 122.85 2ii9 s ILE 47 Ca -0.07 -0.70 -0.00 0.00 0.00 0.00 0.00 60.65 59.87 2ii9 s ILE 47 Cb -0.14 -2.22 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 2ii9 s ILE 47 CO 0.04 0.52 -0.10 -0.89 0.00 0.00 0.00 174.94 174.51 2ii9 s THR 48 N 0.45 3.36 -0.19 2.92 2.01 -0.45 -0.75 115.64 123.00 2ii9 s THR 48 Ca -0.10 -0.57 -0.07 0.00 0.31 0.00 0.00 61.69 61.25 2ii9 s THR 48 Cb -0.16 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 2ii9 s THR 48 CO 0.05 0.54 0.06 -0.63 -0.69 0.00 0.00 174.62 173.95 2ii9 s ILE 49 N -0.07 4.72 0.17 1.82 -1.09 -0.27 -1.08 121.20 125.40 2ii9 s ILE 49 Ca -0.01 -0.06 0.07 0.00 -2.23 0.00 0.00 60.65 58.43 2ii9 s ILE 49 Cb -0.14 -3.13 -0.04 0.00 -1.58 0.00 0.00 42.46 37.57 2ii9 s ILE 49 CO 0.03 0.45 -0.01 -0.31 -1.23 0.00 0.00 174.94 173.87 2ii9 s TYR 50 N 0.45 2.82 0.16 3.97 2.02 0.72 -0.86 117.35 126.63 2ii9 s TYR 50 Ca 0.03 -0.15 0.01 0.00 -0.37 0.00 0.00 57.07 56.60 2ii9 s TYR 50 Cb -0.13 -1.37 -0.04 0.00 -0.40 0.00 0.00 41.96 40.02 2ii9 s TYR 50 CO 0.01 0.52 -0.00 0.71 -1.57 0.00 0.00 175.55 175.21 2ii9 s TYR 51 N -1.73 1.12 -0.25 2.71 2.02 -1.26 -1.17 117.35 118.79 2ii9 s TYR 51 Ca 0.27 -1.03 0.19 0.00 -0.37 0.00 0.00 57.07 56.13 2ii9 s TYR 51 Cb -0.09 -0.64 0.23 0.00 -0.40 0.00 0.00 41.96 41.06 2ii9 s TYR 51 CO 0.18 -0.24 1.53 0.66 -1.57 0.00 0.00 175.55 176.12 2ii9 h SER 52 N 2.76 0.00 0.00 2.29 4.64 -2.00 -3.39 113.55 117.85 2ii9 h SER 52 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2ii9 h SER 52 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2ii9 h SER 52 CO 0.63 0.29 -0.32 -0.90 -0.87 0.00 0.00 176.83 175.66 2ii9 n ASP 53 N -3.19 0.46 -3.64 4.97 5.68 -1.26 -5.08 116.55 114.49 2ii9 n ASP 53 Ca 0.03 -2.01 -0.10 0.00 -0.50 0.00 0.00 54.79 52.21 2ii9 n ASP 53 Cb 0.64 -0.20 -0.02 0.00 -1.14 0.00 0.00 41.12 40.40 2ii9 n ASP 53 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2ii9 s LYS 54 N -0.50 1.52 0.67 0.11 -2.85 -1.26 -5.16 119.74 112.27 2ii9 s LYS 54 Ca 0.05 -0.73 -0.17 0.00 -1.00 0.00 0.00 55.97 54.12 2ii9 s LYS 54 Cb 0.04 0.60 -0.00 0.00 -2.06 0.00 0.00 37.83 36.41 2ii9 s LYS 54 CO 0.00 -0.68 1.15 0.39 0.10 0.00 0.00 175.35 176.31 2ii9 n GLU 55 N -0.42 0.83 -1.39 1.78 -0.58 -1.26 -4.29 120.64 115.32 2ii9 n GLU 55 Ca -0.11 0.34 -0.31 0.00 -0.42 0.00 0.00 57.16 56.66 2ii9 n GLU 55 Cb 0.62 -2.38 0.07 0.00 -0.57 0.00 0.00 31.44 29.18 2ii9 n GLU 55 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2ii9 s PRO 56 N -3.32 2.53 -0.11 3.49 0.04 -1.26 -4.78 135.00 131.59 2ii9 s PRO 56 Ca 0.79 1.09 0.04 0.00 0.04 0.00 0.00 61.00 62.95 2ii9 s PRO 56 Cb -0.37 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.24 2ii9 s PRO 56 CO 0.45 -1.42 -0.24 0.08 0.04 0.00 0.00 177.00 175.91 2ii9 s VAL 57 N -2.95 2.06 -3.89 -0.36 1.01 -0.04 -4.94 120.40 111.29 2ii9 s VAL 57 Ca 0.60 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.57 2ii9 s VAL 57 Cb -0.16 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.44 2ii9 s VAL 57 CO 0.55 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.82 2ii9 n GLY 58 N 3.59 -2.11 3.82 4.51 0.00 -1.26 -1.12 105.19 112.63 2ii9 n GLY 58 Ca -0.19 -1.21 -0.35 0.00 0.00 0.00 0.00 46.02 44.27 2ii9 n GLY 58 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ii9 s PRO 59 N -1.84 4.20 -0.09 1.61 0.04 -1.26 -5.02 135.00 132.64 2ii9 s PRO 59 Ca 0.00 0.88 -0.16 0.00 0.04 0.00 0.00 61.00 61.76 2ii9 s PRO 59 Cb 0.00 -2.63 -0.05 0.00 0.04 0.00 0.00 34.50 31.86 2ii9 s PRO 59 CO 0.00 0.25 0.42 0.71 0.04 0.00 0.00 177.00 178.42 2ii9 s TYR 60 N -1.77 3.56 -0.04 0.56 1.51 0.07 -4.44 117.35 116.80 2ii9 s TYR 60 Ca 0.50 0.86 0.04 0.00 -1.01 0.00 0.00 57.07 57.46 2ii9 s TYR 60 Cb -0.14 -2.44 -0.03 0.00 -0.11 0.00 0.00 41.96 39.24 2ii9 s TYR 60 CO 0.19 0.31 -0.16 1.03 -1.11 0.00 0.00 175.55 175.82 2ii9 s ARG 61 N 0.13 2.44 0.19 -0.62 0.52 -1.26 -0.80 118.95 119.56 2ii9 s ARG 61 Ca 0.24 -0.73 -0.16 0.00 -0.52 0.00 0.00 55.73 54.55 2ii9 s ARG 61 Cb -0.15 -2.33 0.02 0.00 0.52 0.00 0.00 34.95 33.00 2ii9 s ARG 61 CO 0.10 0.61 0.47 -0.48 0.02 0.00 0.00 175.30 176.03 2ii9 s LEU 62 N -0.76 0.26 -0.09 2.53 0.05 -0.73 -5.02 118.68 114.92 2ii9 s LEU 62 Ca 0.12 -0.58 0.02 0.00 0.05 0.00 0.00 54.13 53.74 2ii9 s LEU 62 Cb -0.11 1.94 -0.02 0.00 -2.05 0.00 0.00 46.19 45.96 2ii9 s LEU 62 CO 0.01 -1.03 -0.14 -0.89 -0.55 0.00 0.00 176.35 173.75 2ii9 s THR 63 N -3.90 3.01 -0.35 5.48 2.01 -1.26 -0.50 115.64 120.13 2ii9 s THR 63 Ca 0.11 -0.71 -0.07 0.00 0.31 0.00 0.00 61.69 61.32 2ii9 s THR 63 Cb -0.00 -2.21 0.04 0.00 0.01 0.00 0.00 72.50 70.34 2ii9 s THR 63 CO -0.02 0.56 0.13 -0.69 -0.69 0.00 0.00 174.62 173.92 2ii9 s VAL 64 N -0.21 3.96 1.03 3.82 1.01 0.23 -4.97 120.40 125.27 2ii9 s VAL 64 Ca 0.00 -1.10 -0.12 0.00 0.00 0.00 0.00 61.98 60.76 2ii9 s VAL 64 Cb -0.13 -3.25 0.21 0.00 0.00 0.00 0.00 36.38 33.21 2ii9 s VAL 64 CO 0.03 -0.21 1.08 -2.84 0.00 0.00 0.00 175.10 173.16 2ii9 s PRO 65 N 1.43 0.14 0.26 2.72 0.02 -1.26 -0.78 135.00 137.54 2ii9 s PRO 65 Ca -0.01 1.05 -0.30 0.00 0.02 0.00 0.00 61.00 61.76 2ii9 s PRO 65 Cb -0.20 -1.66 -0.13 0.00 0.02 0.00 0.00 34.50 32.53 2ii9 s PRO 65 CO 0.03 -3.07 1.35 0.00 -0.33 0.00 0.00 177.00 174.99 2ii9 n ALA 66 N -4.49 1.05 -3.38 -1.55 0.00 -1.26 -2.89 120.51 107.99 2ii9 n ALA 66 Ca 0.07 0.40 -0.25 0.00 0.00 0.00 0.00 53.44 53.66 2ii9 n ALA 66 Cb 0.54 -2.25 0.03 0.00 0.00 0.00 0.00 19.45 17.76 2ii9 n ALA 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ii9 n ARG 67 N 1.61 -4.96 -4.25 0.00 1.74 -0.40 -4.98 116.66 105.41 2ii9 n ARG 67 Ca 0.10 0.71 -0.14 0.00 -0.77 0.00 0.00 57.85 57.75 2ii9 n ARG 67 Cb 0.32 -5.56 -0.10 0.00 -1.02 0.00 0.00 32.46 26.11 2ii9 n ARG 67 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2ii9 s ARG 68 N -6.06 1.08 0.22 5.56 1.81 -0.88 -4.98 118.95 115.70 2ii9 s ARG 68 Ca 0.44 -1.49 0.09 0.00 -1.72 0.00 0.00 55.73 53.05 2ii9 s ARG 68 Cb -0.21 -0.48 -0.04 0.00 -0.45 0.00 0.00 34.95 33.76 2ii9 s ARG 68 CO 0.55 -0.01 -0.01 -0.08 -0.68 0.00 0.00 175.30 175.07 2ii9 s THR 69 N -3.46 3.55 -0.07 0.02 -1.32 -1.26 -1.04 115.64 112.06 2ii9 s THR 69 Ca 0.19 -1.69 -0.03 0.00 -1.21 0.00 0.00 61.69 58.96 2ii9 s THR 69 Cb 0.04 -2.84 0.04 0.00 -1.51 0.00 0.00 72.50 68.23 2ii9 s THR 69 CO 0.02 -0.25 0.14 -0.75 -2.21 0.00 0.00 174.62 171.57 2ii9 s LYS 70 N -3.32 0.05 -0.26 7.08 2.20 0.68 -4.97 119.74 121.21 2ii9 s LYS 70 Ca 0.29 0.45 -0.26 0.00 -0.36 0.00 0.00 55.97 56.10 2ii9 s LYS 70 Cb -0.08 -0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.00 2ii9 s LYS 70 CO 0.19 -0.24 0.88 -1.01 -0.36 0.00 0.00 175.35 174.81 2ii9 s HIS 71 N 1.73 3.28 -0.31 4.03 3.76 -1.26 -0.82 115.29 125.70 2ii9 s HIS 71 Ca -0.03 1.15 -0.08 0.00 -0.15 0.00 0.00 55.06 55.94 2ii9 s HIS 71 Cb -0.12 -3.18 0.01 0.00 1.11 0.00 0.00 32.58 30.40 2ii9 s HIS 71 CO -0.06 -0.48 0.12 0.08 -0.85 0.00 0.00 174.74 173.56 2ii9 s VAL 72 N 3.00 4.25 -0.32 -0.90 1.01 0.12 -4.96 120.40 122.61 2ii9 s VAL 72 Ca 0.37 -0.66 -0.25 0.00 0.00 0.00 0.00 61.98 61.45 2ii9 s VAL 72 Cb -0.15 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.01 2ii9 s VAL 72 CO 0.09 0.01 0.85 -0.13 0.00 0.00 0.00 175.10 175.92 2ii9 s ARG 73 N 1.54 3.96 0.53 2.72 0.52 -1.26 -1.18 118.95 125.77 2ii9 s ARG 73 Ca 0.03 0.66 0.18 0.00 -0.52 0.00 0.00 55.73 56.08 2ii9 s ARG 73 Cb -0.18 -3.74 1.36 0.00 0.52 0.00 0.00 34.95 32.91 2ii9 s ARG 73 CO 0.04 -0.75 2.16 0.74 0.02 0.00 0.00 175.30 177.51 2ii9 h PHE 74 N 8.16 0.00 -0.43 -0.53 0.04 -0.54 -1.52 116.94 122.12 2ii9 h PHE 74 Ca -0.23 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.54 2ii9 h PHE 74 Cb 1.09 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.22 2ii9 h PHE 74 CO 0.79 0.01 0.29 -0.97 -0.60 0.00 0.00 178.31 177.83 2ii9 h ASN 75 N 0.00 0.49 0.82 2.17 -0.73 -1.91 -2.52 115.58 113.90 2ii9 h ASN 75 Ca -0.00 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.16 2ii9 h ASN 75 Cb 0.02 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 38.49 2ii9 h ASN 75 CO 0.00 0.35 -0.58 0.47 -0.37 0.00 0.00 177.43 177.30 2ii9 n ASP 76 N -4.47 0.65 -4.69 1.15 8.00 -0.58 -4.86 116.55 111.75 2ii9 n ASP 76 Ca 0.04 0.09 -0.42 0.00 0.71 0.00 0.00 54.79 55.20 2ii9 n ASP 76 Cb 0.07 0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 2ii9 n ASP 76 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2ii9 s LEU 77 N -4.02 4.35 0.00 0.64 1.43 -0.95 -4.84 118.68 115.28 2ii9 s LEU 77 Ca 0.07 2.34 0.00 0.00 -1.03 0.00 0.00 54.13 55.51 2ii9 s LEU 77 Cb 0.14 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.79 2ii9 s LEU 77 CO 0.71 -0.80 0.13 -0.46 0.23 0.00 0.00 176.35 176.17 2ii9 n ASN 78 N 5.22 0.00 -3.84 2.29 0.23 -1.25 -4.02 115.26 113.88 2ii9 n ASN 78 Ca 0.14 -1.00 -0.26 0.00 -0.53 0.00 0.00 54.58 52.93 2ii9 n ASN 78 Cb 0.42 0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 37.95 2ii9 n ASN 78 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2ii9 s ASP 79 N 0.00 2.38 0.53 0.53 2.15 -1.26 -2.67 116.67 118.33 2ii9 s ASP 79 Ca 0.00 -0.45 0.31 0.00 0.43 0.00 0.00 52.55 52.83 2ii9 s ASP 79 Cb 0.00 -0.74 1.43 0.00 -0.30 0.00 0.00 42.92 43.32 2ii9 s ASP 79 CO 0.00 -0.19 2.03 1.55 -0.17 0.00 0.00 175.17 178.39 2ii9 h PRO 80 N 8.20 0.00 -2.27 4.34 0.13 -1.96 -3.42 132.00 137.02 2ii9 h PRO 80 Ca -0.23 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.84 2ii9 h PRO 80 Cb 1.12 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.07 2ii9 h PRO 80 CO 0.36 0.09 0.15 0.00 -0.23 0.00 0.00 178.00 178.37 2ii9 s ALA 81 N -3.89 -1.65 0.58 -0.56 0.00 -1.09 -5.14 121.76 110.01 2ii9 s ALA 81 Ca -0.01 1.08 -0.17 0.00 0.00 0.00 0.00 51.96 52.86 2ii9 s ALA 81 Cb 0.11 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 2ii9 s ALA 81 CO 0.56 -0.43 1.08 -2.14 0.00 0.00 0.00 175.76 174.83 2ii9 s PRO 82 N -1.68 3.28 -0.19 0.00 0.02 -1.22 -3.91 135.00 131.30 2ii9 s PRO 82 Ca -0.09 1.36 -0.21 0.00 0.02 0.00 0.00 61.00 62.09 2ii9 s PRO 82 Cb -0.00 -2.02 -0.03 0.00 0.02 0.00 0.00 34.50 32.47 2ii9 s PRO 82 CO 0.05 -0.86 0.62 0.42 -0.33 0.00 0.00 177.00 176.90 2ii9 s ILE 83 N -2.20 5.04 0.28 2.83 1.01 -1.26 -5.01 121.20 121.89 2ii9 s ILE 83 Ca 0.67 1.17 -0.30 0.00 0.00 0.00 0.00 60.65 62.19 2ii9 s ILE 83 Cb -0.19 -3.94 -0.13 0.00 0.01 0.00 0.00 42.46 38.22 2ii9 s ILE 83 CO 0.33 0.13 1.42 -0.81 0.00 0.00 0.00 174.94 176.02 2ii9 n PRO 84 N 4.90 2.22 -1.04 2.79 -0.04 -1.26 -5.00 135.00 137.58 2ii9 n PRO 84 Ca -0.02 0.79 -0.30 0.00 -0.04 0.00 0.00 63.50 63.93 2ii9 n PRO 84 Cb 0.50 -2.46 0.16 0.00 -0.04 0.00 0.00 33.50 31.66 2ii9 n PRO 84 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2ii9 s HIS 85 N -0.33 2.07 -1.56 0.54 3.76 -1.26 -3.81 115.29 114.70 2ii9 s HIS 85 Ca 0.64 1.30 0.00 0.00 -0.15 0.00 0.00 55.06 56.85 2ii9 s HIS 85 Cb -0.59 -3.18 0.00 0.00 1.11 0.00 0.00 32.58 29.92 2ii9 s HIS 85 CO 0.53 -2.69 0.00 -3.47 -0.85 0.00 0.00 174.74 168.25 2ii9 n ASP 86 N -4.10 -4.63 -4.05 1.40 2.03 0.93 -4.93 116.55 103.21 2ii9 n ASP 86 Ca 0.07 0.24 -0.24 0.00 0.52 0.00 0.00 54.79 55.38 2ii9 n ASP 86 Cb 0.55 -4.02 -0.16 0.00 -0.72 0.00 0.00 41.12 36.76 2ii9 n ASP 86 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2ii9 s THR 87 N -2.63 1.12 0.07 5.18 2.01 -1.25 -5.05 115.64 115.09 2ii9 s THR 87 Ca 0.00 -0.51 -0.30 0.00 0.31 0.00 0.00 61.69 61.19 2ii9 s THR 87 Cb 0.00 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 2ii9 s THR 87 CO 0.00 0.34 1.12 -1.81 -0.69 0.00 0.00 174.62 173.58 2ii9 s ASP 88 N 0.38 7.20 0.29 3.53 1.01 -1.26 -4.33 116.67 123.49 2ii9 s ASP 88 Ca -0.09 1.93 0.01 0.00 0.71 0.00 0.00 52.55 55.12 2ii9 s ASP 88 Cb -0.13 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.20 2ii9 s ASP 88 CO 0.02 -0.36 0.29 0.72 0.21 0.00 0.00 175.17 176.06 2ii9 s PHE 89 N 0.78 1.34 0.04 4.23 -0.12 -0.34 -4.49 117.98 119.42 2ii9 s PHE 89 Ca 0.55 -1.44 -0.01 0.00 -0.05 0.00 0.00 56.93 55.98 2ii9 s PHE 89 Cb -0.27 -0.47 -0.03 0.00 -0.63 0.00 0.00 43.02 41.62 2ii9 s PHE 89 CO 0.30 -0.87 -0.01 0.00 -0.05 0.00 0.00 175.22 174.59 2ii9 s ALA 90 N -3.60 0.28 0.13 1.99 0.00 -0.32 -1.58 121.76 118.66 2ii9 s ALA 90 Ca 0.37 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.50 2ii9 s ALA 90 Cb 0.03 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 2ii9 s ALA 90 CO 0.20 -0.29 -0.14 -1.54 0.00 0.00 0.00 175.76 173.99 2ii9 s SER 91 N -2.31 2.07 -0.07 0.00 1.04 -0.03 -0.20 113.70 114.20 2ii9 s SER 91 Ca -0.03 -0.84 0.05 0.00 0.48 0.00 0.00 55.95 55.62 2ii9 s SER 91 Cb 0.01 -0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.04 2ii9 s SER 91 CO -0.06 -0.15 -0.24 -0.69 0.98 0.00 0.00 173.24 173.08 2ii9 s VAL 92 N -2.25 2.03 -0.24 5.02 1.01 -0.24 -0.54 120.40 125.20 2ii9 s VAL 92 Ca 0.11 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.07 2ii9 s VAL 92 Cb -0.04 -1.73 0.05 0.00 0.00 0.00 0.00 36.38 34.65 2ii9 s VAL 92 CO 0.03 0.56 -0.12 -0.63 0.00 0.00 0.00 175.10 174.94 2ii9 s ILE 93 N 0.04 2.24 0.04 2.22 1.01 -0.05 -1.34 121.20 125.36 2ii9 s ILE 93 Ca -0.10 -1.39 0.04 0.00 0.00 0.00 0.00 60.65 59.20 2ii9 s ILE 93 Cb -0.15 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 2ii9 s ILE 93 CO 0.06 0.13 -0.06 -1.10 0.00 0.00 0.00 174.94 173.97 2ii9 s GLN 94 N 1.18 2.47 0.02 2.79 -0.21 0.20 -0.70 119.66 125.40 2ii9 s GLN 94 Ca -0.04 -0.80 -0.01 0.00 0.02 0.00 0.00 55.36 54.52 2ii9 s GLN 94 Cb -0.18 -2.47 -0.02 0.00 1.00 0.00 0.00 33.01 31.34 2ii9 s GLN 94 CO -0.07 0.57 -0.00 0.45 -2.12 0.00 0.00 175.29 174.12 2ii9 s SER 95 N -1.73 0.21 0.34 5.90 0.15 0.30 -0.52 113.70 118.35 2ii9 s SER 95 Ca 0.19 -0.47 0.12 0.00 0.70 0.00 0.00 55.95 56.49 2ii9 s SER 95 Cb -0.11 0.12 0.59 0.00 -1.71 0.00 0.00 66.02 64.91 2ii9 s SER 95 CO 0.11 -0.33 1.75 -0.55 1.20 0.00 0.00 173.24 175.42 2ii9 h ASN 96 N 4.51 0.02 -3.57 5.45 -1.07 -1.86 -3.44 115.58 115.62 2ii9 h ASN 96 Ca -0.32 -0.01 -0.50 0.00 0.07 0.00 0.00 56.30 55.54 2ii9 h ASN 96 Cb 1.20 -0.00 -0.18 0.00 -2.07 0.00 0.00 38.32 37.27 2ii9 h ASN 96 CO 0.42 0.46 -0.78 0.68 0.07 0.00 0.00 177.43 178.29 2ii9 s VAL 97 N -4.01 1.76 0.32 6.14 -7.23 -1.26 -5.03 120.40 111.10 2ii9 s VAL 97 Ca -0.02 -1.92 -0.29 0.00 -1.81 0.00 0.00 61.98 57.93 2ii9 s VAL 97 Cb 0.14 -1.83 -0.12 0.00 0.56 0.00 0.00 36.38 35.12 2ii9 s VAL 97 CO 0.74 -0.35 1.35 -2.65 -0.31 0.00 0.00 175.10 173.88 2ii9 n PRO 98 N 0.26 2.20 -4.18 4.82 -0.02 -1.26 -4.57 135.00 132.24 2ii9 n PRO 98 Ca -0.13 0.77 -0.11 0.00 -2.02 0.00 0.00 63.50 62.01 2ii9 n PRO 98 Cb 0.57 -2.40 -0.10 0.00 -0.02 0.00 0.00 33.50 31.56 2ii9 n PRO 98 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2ii9 s ILE 99 N -0.79 0.24 -0.12 4.25 -4.36 -0.26 -4.70 121.20 115.46 2ii9 s ILE 99 Ca 0.59 -1.94 0.01 0.00 -0.26 0.00 0.00 60.65 59.05 2ii9 s ILE 99 Cb -0.57 -2.13 -0.01 0.00 1.25 0.00 0.00 42.46 41.00 2ii9 s ILE 99 CO 0.59 -0.41 -0.14 -0.69 0.24 0.00 0.00 174.94 174.53 2ii9 s VAL 100 N -3.96 2.96 -0.07 8.37 1.01 0.08 -1.34 120.40 127.45 2ii9 s VAL 100 Ca 0.26 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.56 2ii9 s VAL 100 Cb 0.07 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.24 2ii9 s VAL 100 CO 0.04 0.54 -0.16 -0.69 0.00 0.00 0.00 175.10 174.83 2ii9 s VAL 101 N 0.22 1.40 0.00 2.92 1.01 -1.26 -0.09 120.40 124.61 2ii9 s VAL 101 Ca -0.09 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.26 2ii9 s VAL 101 Cb -0.15 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 2ii9 s VAL 101 CO 0.05 0.41 -0.04 -1.58 0.00 0.00 0.00 175.10 173.95 2ii9 s GLN 102 N 0.52 0.30 -0.50 2.72 0.74 -0.46 -4.99 119.66 117.99 2ii9 s GLN 102 Ca -0.15 -0.21 0.03 0.00 0.05 0.00 0.00 55.36 55.08 2ii9 s GLN 102 Cb -0.16 -0.24 0.15 0.00 1.10 0.00 0.00 33.01 33.86 2ii9 s GLN 102 CO 0.05 0.06 0.33 -3.38 -0.55 0.00 0.00 175.29 171.80 2ii9 s HIS 103 N -0.29 2.14 -2.00 1.67 -3.43 -1.26 -0.68 115.29 111.43 2ii9 s HIS 103 Ca -0.01 -2.62 0.20 0.00 -0.80 0.00 0.00 55.06 51.84 2ii9 s HIS 103 Cb -0.03 -1.84 1.22 0.00 -1.43 0.00 0.00 32.58 30.50 2ii9 s HIS 103 CO -0.00 -0.74 1.60 0.25 -2.00 0.00 0.00 174.74 173.86