#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 4.37 -0.25 2.46 2.96 -1.26 -5.00 118.68 121.96 2ii9 s LEU 2 Ca 0.00 2.48 -0.03 0.00 -0.22 0.00 0.00 54.13 56.36 2ii9 s LEU 2 Cb 0.00 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.15 2ii9 s LEU 2 CO 0.00 -0.91 -0.04 -0.55 -1.32 0.00 0.00 176.35 173.54 2ii9 s SER 3 N 2.67 4.41 -0.04 3.68 0.15 -1.26 -3.85 113.70 119.46 2ii9 s SER 3 Ca 0.75 -0.74 -0.04 0.00 0.70 0.00 0.00 55.95 56.62 2ii9 s SER 3 Cb -0.39 -1.71 0.01 0.00 -1.71 0.00 0.00 66.02 62.22 2ii9 s SER 3 CO 0.33 -0.11 0.11 -0.51 1.20 0.00 0.00 173.24 174.25 2ii9 s ILE 4 N 1.38 0.00 0.00 6.45 2.07 -1.26 -5.10 121.20 124.74 2ii9 s ILE 4 Ca 0.02 -0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.23 2ii9 s ILE 4 Cb -0.16 -0.16 0.00 0.00 0.13 0.00 0.00 42.46 42.26 2ii9 s ILE 4 CO -0.03 -0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.59 2ii9 n GLY 5 N 2.97 -0.99 3.52 1.50 0.00 -1.26 -3.84 105.19 107.09 2ii9 n GLY 5 Ca -0.13 -2.04 -0.10 0.00 0.00 0.00 0.00 46.02 43.76 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 1.51 0.00 1.61 1.70 -0.58 -4.69 118.95 118.49 2ii9 s ARG 6 Ca 0.00 -1.35 0.26 0.00 -0.47 0.00 0.00 55.73 54.18 2ii9 s ARG 6 Cb 0.00 0.43 0.77 0.00 -0.57 0.00 0.00 34.95 35.58 2ii9 s ARG 6 CO 0.00 -0.61 1.58 0.25 -1.08 0.00 0.00 175.30 175.44 2ii9 n THR 7 N -0.37 0.00 -3.69 4.99 -2.24 -1.26 -1.31 114.28 110.40 2ii9 n THR 7 Ca -0.01 -0.08 -0.19 0.00 -2.27 0.00 0.00 64.05 61.50 2ii9 n THR 7 Cb 0.63 0.27 -0.18 0.00 -2.10 0.00 0.00 70.33 68.95 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 1.90 1.47 -0.03 0.00 0.52 0.72 -4.99 118.94 118.52 2ii9 s TRP 9 Ca 0.02 -0.38 0.05 0.00 0.02 0.00 0.00 56.10 55.80 2ii9 s TRP 9 Cb -0.12 -0.86 -0.01 0.00 -1.15 0.00 0.00 33.47 31.33 2ii9 s TRP 9 CO -0.03 0.08 -0.17 0.00 0.02 0.00 0.00 176.95 176.85 2ii9 s ALA 10 N -0.92 1.48 -0.25 0.98 0.00 -1.26 0.26 121.76 122.05 2ii9 s ALA 10 Ca 0.03 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.32 2ii9 s ALA 10 Cb -0.09 -0.46 0.05 0.00 0.00 0.00 0.00 23.12 22.62 2ii9 s ALA 10 CO 0.02 0.29 -0.12 0.42 0.00 0.00 0.00 175.76 176.37 2ii9 s ILE 11 N -0.08 2.25 -0.61 0.00 1.01 0.02 -5.01 121.20 118.77 2ii9 s ILE 11 Ca -0.01 -1.45 0.25 0.00 0.00 0.00 0.00 60.65 59.45 2ii9 s ILE 11 Cb -0.10 -2.24 0.28 0.00 0.01 0.00 0.00 42.46 40.41 2ii9 s ILE 11 CO 0.01 0.09 1.75 0.00 0.00 0.00 0.00 174.94 176.80 2ii9 n ALA 12 N 4.50 2.03 -2.79 9.38 0.00 -1.26 -0.96 120.51 131.41 2ii9 n ALA 12 Ca -0.15 0.03 -0.22 0.00 0.00 0.00 0.00 53.44 53.09 2ii9 n ALA 12 Cb 0.44 -1.44 -0.05 0.00 0.00 0.00 0.00 19.45 18.40 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 -3.20 2.80 0.00 0.00 2.56 -1.26 -4.54 118.70 115.07 2ii9 s GLU 13 Ca 0.08 -1.13 0.00 0.00 0.00 0.00 0.00 54.97 53.92 2ii9 s GLU 13 Cb 0.11 -2.48 0.00 0.00 2.00 0.00 0.00 34.13 33.76 2ii9 s GLU 13 CO 0.52 0.39 0.00 0.41 -0.56 0.00 0.00 175.26 176.02 2ii9 n GLY 14 N -1.13 1.35 3.58 -1.50 0.00 -0.79 -4.49 105.19 102.22 2ii9 n GLY 14 Ca -0.08 0.36 -0.04 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.15 -0.22 1.61 5.04 -1.26 -1.76 117.35 119.61 2ii9 s TYR 15 Ca 0.00 2.12 -0.10 0.00 -2.44 0.00 0.00 57.07 56.65 2ii9 s TYR 15 Cb 0.00 0.66 -0.05 0.00 0.35 0.00 0.00 41.96 42.93 2ii9 s TYR 15 CO 0.00 -0.58 0.13 0.42 -1.34 0.00 0.00 175.55 174.17 2ii9 s ILE 16 N 2.38 5.19 0.17 3.14 1.01 -1.26 -4.04 121.20 127.78 2ii9 s ILE 16 Ca -0.07 0.12 -0.30 0.00 0.00 0.00 0.00 60.65 60.39 2ii9 s ILE 16 Cb -0.10 -3.39 -0.08 0.00 0.01 0.00 0.00 42.46 38.90 2ii9 s ILE 16 CO -0.18 0.39 1.33 -2.84 0.00 0.00 0.00 174.94 173.64 2ii9 s PRO 17 N 0.76 4.37 0.00 2.79 0.02 -1.26 -0.38 135.00 141.30 2ii9 s PRO 17 Ca 0.07 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.13 2ii9 s PRO 17 Cb -0.13 -3.21 0.00 0.00 0.02 0.00 0.00 34.50 31.18 2ii9 s PRO 17 CO 0.02 -0.30 0.00 -2.30 -0.33 0.00 0.00 177.00 174.09 2ii9 n PRO 18 N 3.00 0.00 0.00 5.54 -0.02 -1.26 -4.74 135.00 137.52 2ii9 n PRO 18 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2ii9 n PRO 18 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.91 2ii9 n PRO 18 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2ii9 n TYR 19 N -0.99 0.00 0.19 6.00 4.02 -1.26 -4.82 117.16 120.31 2ii9 n TYR 19 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2ii9 n TYR 19 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2ii9 n TYR 19 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2ii9 n GLU 31 N -0.42 0.00 -5.22 -0.72 2.13 -1.26 -5.20 120.64 109.96 2ii9 n GLU 31 Ca 0.00 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.51 2ii9 n GLU 31 Cb 0.00 0.00 -0.16 0.00 0.27 0.00 0.00 31.44 31.55 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 -1.77 1.99 -0.13 6.31 2.01 -1.26 -0.69 115.64 122.10 2ii9 s THR 32 Ca 0.00 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 60.97 2ii9 s THR 32 Cb 0.00 -1.68 -0.01 0.00 0.01 0.00 0.00 72.50 70.82 2ii9 s THR 32 CO 0.00 0.55 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.65 2ii9 s VAL 33 N -0.14 2.91 -0.24 3.82 1.01 0.66 -1.50 120.40 126.93 2ii9 s VAL 33 Ca -0.04 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 2ii9 s VAL 33 Cb -0.13 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 2ii9 s VAL 33 CO 0.04 0.53 0.05 0.00 0.00 0.00 0.00 175.10 175.71 2ii9 s ILE 35 N 1.43 2.76 -0.17 0.00 1.01 0.62 -0.14 121.20 126.72 2ii9 s ILE 35 Ca 0.05 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 59.90 2ii9 s ILE 35 Cb -0.15 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 2ii9 s ILE 35 CO 0.03 0.54 -0.08 -0.22 0.00 0.00 0.00 174.94 175.21 2ii9 s LEU 36 N 0.19 2.89 -0.47 2.97 2.96 0.96 -0.76 118.68 127.42 2ii9 s LEU 36 Ca -0.10 -0.31 -0.05 0.00 -0.22 0.00 0.00 54.13 53.46 2ii9 s LEU 36 Cb -0.16 -1.69 0.12 0.00 0.50 0.00 0.00 46.19 44.97 2ii9 s LEU 36 CO 0.06 0.10 0.30 0.21 -1.32 0.00 0.00 176.35 175.70 2ii9 s ASN 37 N 0.73 5.43 0.00 3.68 2.47 0.46 -0.74 114.94 126.97 2ii9 s ASN 37 Ca -0.04 -2.14 0.29 0.00 0.42 0.00 0.00 52.86 51.39 2ii9 s ASN 37 Cb -0.15 -1.90 1.31 0.00 -1.45 0.00 0.00 41.25 39.06 2ii9 s ASN 37 CO 0.02 -0.57 1.89 0.00 -3.72 0.00 0.00 177.10 174.72 2ii9 n ALA 38 N 4.50 2.61 -1.99 1.71 0.00 -1.26 -1.09 120.51 124.99 2ii9 n ALA 38 Ca -0.02 -0.37 -0.23 0.00 0.00 0.00 0.00 53.44 52.82 2ii9 n ALA 38 Cb 0.41 -1.27 0.09 0.00 0.00 0.00 0.00 19.45 18.68 2ii9 n ALA 38 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ii9 s GLY 39 N -2.01 1.77 0.00 0.00 0.00 -1.25 -4.56 107.32 101.27 2ii9 s GLY 39 Ca 0.41 -1.66 0.20 0.00 0.00 0.00 0.00 44.72 43.66 2ii9 s GLY 39 CO 0.35 -1.16 1.51 1.22 0.00 0.00 0.00 173.10 175.02 2ii9 n ASP 40 N -2.72 1.85 -4.23 1.64 8.00 -1.26 -1.64 116.55 118.19 2ii9 n ASP 40 Ca 0.14 -1.76 -0.26 0.00 0.71 0.00 0.00 54.79 53.61 2ii9 n ASP 40 Cb 0.60 -0.13 -0.15 0.00 -0.02 0.00 0.00 41.12 41.42 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 -1.74 1.56 0.39 -1.24 2.12 -1.26 -4.81 118.70 113.72 2ii9 s GLU 41 Ca 0.32 -0.83 -0.27 0.00 0.36 0.00 0.00 54.97 54.56 2ii9 s GLU 41 Cb 0.17 -1.58 -0.11 0.00 0.26 0.00 0.00 34.13 32.88 2ii9 s GLU 41 CO 0.26 0.42 1.36 -0.25 -0.54 0.00 0.00 175.26 176.51 2ii9 n ASP 42 N 2.26 3.06 -4.60 -1.70 8.00 -1.26 -4.19 116.55 118.11 2ii9 n ASP 42 Ca -0.16 1.17 -0.38 0.00 0.71 0.00 0.00 54.79 56.13 2ii9 n ASP 42 Cb 0.53 -1.54 -0.10 0.00 -0.02 0.00 0.00 41.12 39.98 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 -1.15 3.55 -0.56 2.24 0.00 0.15 -4.84 121.76 121.16 2ii9 s ALA 43 Ca 0.57 -1.01 -0.20 0.00 0.00 0.00 0.00 51.96 51.33 2ii9 s ALA 43 Cb -0.51 -2.51 0.07 0.00 0.00 0.00 0.00 23.12 20.17 2ii9 s ALA 43 CO 0.61 -0.53 0.71 -1.01 0.00 0.00 0.00 175.76 175.54 2ii9 s HIS 44 N 1.74 2.97 0.00 0.00 3.76 -1.26 -0.96 115.29 121.55 2ii9 s HIS 44 Ca 0.09 -0.65 -0.15 0.00 -0.15 0.00 0.00 55.06 54.19 2ii9 s HIS 44 Cb -0.16 -3.83 -0.06 0.00 1.11 0.00 0.00 32.58 29.65 2ii9 s HIS 44 CO 0.10 -1.22 0.42 0.08 -0.85 0.00 0.00 174.74 173.27 2ii9 s VAL 45 N 2.89 5.01 -0.09 -0.90 1.01 0.33 -3.26 120.40 125.40 2ii9 s VAL 45 Ca 0.16 0.86 0.03 0.00 0.00 0.00 0.00 61.98 63.03 2ii9 s VAL 45 Cb -0.20 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.46 2ii9 s VAL 45 CO 0.10 0.57 -0.18 -1.61 0.00 0.00 0.00 175.10 173.98 2ii9 s GLU 46 N -1.03 2.38 -0.15 2.72 2.02 -0.14 -2.09 118.70 122.41 2ii9 s GLU 46 Ca 0.24 -0.64 -0.02 0.00 0.02 0.00 0.00 54.97 54.57 2ii9 s GLU 46 Cb -0.17 -1.87 -0.02 0.00 0.10 0.00 0.00 34.13 32.17 2ii9 s GLU 46 CO 0.14 0.08 -0.09 0.42 0.02 0.00 0.00 175.26 175.83 2ii9 s ILE 47 N 0.56 3.40 -0.09 -1.63 1.01 0.96 -0.76 121.20 124.64 2ii9 s ILE 47 Ca -0.15 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 59.97 2ii9 s ILE 47 Cb -0.17 -2.46 -0.02 0.00 0.01 0.00 0.00 42.46 39.82 2ii9 s ILE 47 CO 0.05 0.51 -0.09 -0.89 0.00 0.00 0.00 174.94 174.52 2ii9 s THR 48 N 0.43 3.45 -0.16 2.92 2.01 -0.23 -0.48 115.64 123.59 2ii9 s THR 48 Ca -0.07 -0.55 -0.04 0.00 0.31 0.00 0.00 61.69 61.34 2ii9 s THR 48 Cb -0.15 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 69.90 2ii9 s THR 48 CO 0.04 0.56 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.86 2ii9 s ILE 49 N -0.30 3.88 0.14 1.82 -1.09 0.11 -0.97 121.20 124.78 2ii9 s ILE 49 Ca 0.04 -0.36 0.07 0.00 -2.23 0.00 0.00 60.65 58.16 2ii9 s ILE 49 Cb -0.13 -2.70 -0.04 0.00 -1.58 0.00 0.00 42.46 38.01 2ii9 s ILE 49 CO 0.03 0.49 -0.05 -0.31 -1.23 0.00 0.00 174.94 173.87 2ii9 s TYR 50 N 0.39 2.81 0.26 3.97 2.02 0.38 -0.32 117.35 126.85 2ii9 s TYR 50 Ca -0.04 -0.13 0.02 0.00 -0.37 0.00 0.00 57.07 56.55 2ii9 s TYR 50 Cb -0.14 -1.42 -0.05 0.00 -0.40 0.00 0.00 41.96 39.95 2ii9 s TYR 50 CO 0.03 0.48 0.05 0.71 -1.57 0.00 0.00 175.55 175.25 2ii9 s TYR 51 N -1.47 1.61 -0.44 2.71 2.02 -1.26 -1.53 117.35 118.99 2ii9 s TYR 51 Ca 0.25 -1.05 0.23 0.00 -0.37 0.00 0.00 57.07 56.14 2ii9 s TYR 51 Cb -0.10 -0.96 0.29 0.00 -0.40 0.00 0.00 41.96 40.78 2ii9 s TYR 51 CO 0.16 -0.17 1.40 0.66 -1.57 0.00 0.00 175.55 176.04 2ii9 h SER 52 N 2.38 0.00 0.00 2.29 4.64 -1.99 -3.39 113.55 117.47 2ii9 h SER 52 Ca -0.39 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2ii9 h SER 52 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2ii9 h SER 52 CO 0.64 0.02 -0.48 -0.90 -0.87 0.00 0.00 176.83 175.23 2ii9 n ASP 53 N -2.71 0.00 -3.62 4.97 5.68 -1.26 -5.10 116.55 114.51 2ii9 n ASP 53 Ca 0.03 -1.97 -0.08 0.00 -0.50 0.00 0.00 54.79 52.27 2ii9 n ASP 53 Cb 0.51 -0.19 -0.02 0.00 -1.14 0.00 0.00 41.12 40.28 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 0.00 1.28 0.76 0.11 -2.85 -1.26 -5.16 119.74 112.62 2ii9 s LYS 54 Ca 0.00 -0.60 -0.12 0.00 -1.00 0.00 0.00 55.97 54.25 2ii9 s LYS 54 Cb 0.00 0.51 0.05 0.00 -2.06 0.00 0.00 37.83 36.33 2ii9 s LYS 54 CO 0.00 -0.58 1.11 -1.21 0.10 0.00 0.00 175.35 174.78 2ii9 s GLU 55 N -3.55 2.20 0.80 1.78 0.41 -1.26 -4.29 118.70 114.79 2ii9 s GLU 55 Ca 0.07 1.33 -0.11 0.00 -0.41 0.00 0.00 54.97 55.84 2ii9 s GLU 55 Cb -0.02 -1.88 0.08 0.00 -1.78 0.00 0.00 34.13 30.52 2ii9 s GLU 55 CO -0.04 -1.70 1.12 -1.25 -0.49 0.00 0.00 175.26 172.89 2ii9 s PRO 56 N -4.58 1.94 -0.05 0.39 0.05 -1.26 -4.75 135.00 126.74 2ii9 s PRO 56 Ca 0.64 1.35 0.06 0.00 0.05 0.00 0.00 61.00 63.10 2ii9 s PRO 56 Cb -0.20 -1.85 -0.02 0.00 0.05 0.00 0.00 34.50 32.49 2ii9 s PRO 56 CO 0.52 -1.91 -0.24 0.08 0.05 0.00 0.00 177.00 175.50 2ii9 s VAL 57 N -2.71 2.19 -5.00 -0.36 1.01 0.57 -4.95 120.40 111.15 2ii9 s VAL 57 Ca 0.64 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2ii9 s VAL 57 Cb -0.20 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.39 2ii9 s VAL 57 CO 0.54 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.83 2ii9 n GLY 58 N 2.72 -1.62 3.79 4.51 0.00 -1.26 -0.71 105.19 112.61 2ii9 n GLY 58 Ca -0.17 -1.36 -0.38 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.95 4.47 -0.15 1.61 0.04 -1.26 -4.99 135.00 132.77 2ii9 s PRO 59 Ca 0.00 1.10 -0.22 0.00 0.04 0.00 0.00 61.00 61.92 2ii9 s PRO 59 Cb 0.00 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.45 2ii9 s PRO 59 CO 0.00 0.47 0.66 0.71 0.04 0.00 0.00 177.00 178.88 2ii9 s TYR 60 N -1.35 3.44 -0.01 0.56 1.51 0.37 -4.49 117.35 117.38 2ii9 s TYR 60 Ca 0.40 1.05 0.03 0.00 -1.01 0.00 0.00 57.07 57.54 2ii9 s TYR 60 Cb -0.20 -2.81 -0.03 0.00 -0.11 0.00 0.00 41.96 38.81 2ii9 s TYR 60 CO 0.24 -0.09 -0.07 1.03 -1.11 0.00 0.00 175.55 175.55 2ii9 s ARG 61 N 1.56 2.60 0.16 -0.62 0.52 -1.26 -0.03 118.95 121.88 2ii9 s ARG 61 Ca 0.32 -0.68 -0.23 0.00 -0.52 0.00 0.00 55.73 54.62 2ii9 s ARG 61 Cb -0.16 -2.52 0.07 0.00 0.52 0.00 0.00 34.95 32.85 2ii9 s ARG 61 CO 0.12 0.62 0.64 -0.48 0.02 0.00 0.00 175.30 176.22 2ii9 s LEU 62 N -1.27 -0.51 -0.08 2.53 0.05 -0.89 -5.03 118.68 113.48 2ii9 s LEU 62 Ca 0.16 -0.08 0.02 0.00 0.05 0.00 0.00 54.13 54.28 2ii9 s LEU 62 Cb -0.11 2.57 -0.02 0.00 -2.05 0.00 0.00 46.19 46.58 2ii9 s LEU 62 CO 0.06 -0.99 -0.15 -0.89 -0.55 0.00 0.00 176.35 173.83 2ii9 s THR 63 N -3.72 2.94 -0.35 5.48 2.01 -1.26 -0.51 115.64 120.23 2ii9 s THR 63 Ca 0.03 -0.74 -0.06 0.00 0.31 0.00 0.00 61.69 61.23 2ii9 s THR 63 Cb -0.02 -2.18 0.05 0.00 0.01 0.00 0.00 72.50 70.36 2ii9 s THR 63 CO -0.10 0.56 0.12 -0.69 -0.69 0.00 0.00 174.62 173.82 2ii9 s VAL 64 N -0.20 3.75 0.91 3.82 1.01 -0.13 -4.98 120.40 124.58 2ii9 s VAL 64 Ca -0.00 -1.22 -0.11 0.00 0.00 0.00 0.00 61.98 60.65 2ii9 s VAL 64 Cb -0.13 -3.16 0.14 0.00 0.00 0.00 0.00 36.38 33.22 2ii9 s VAL 64 CO 0.03 -0.23 1.12 -2.84 0.00 0.00 0.00 175.10 173.18 2ii9 s PRO 65 N 1.38 1.10 0.13 2.72 0.02 -1.26 -0.68 135.00 138.42 2ii9 s PRO 65 Ca -0.01 1.32 -0.34 0.00 0.02 0.00 0.00 61.00 61.98 2ii9 s PRO 65 Cb -0.20 -1.75 -0.17 0.00 0.02 0.00 0.00 34.50 32.40 2ii9 s PRO 65 CO 0.02 -2.50 1.17 0.00 -0.33 0.00 0.00 177.00 175.37 2ii9 n ALA 66 N -4.12 -1.26 -3.53 -1.55 0.00 -1.26 -2.86 120.51 105.93 2ii9 n ALA 66 Ca 0.10 0.49 -0.21 0.00 0.00 0.00 0.00 53.44 53.82 2ii9 n ALA 66 Cb 0.53 -1.99 0.08 0.00 0.00 0.00 0.00 19.45 18.07 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 1.90 -7.35 -3.94 0.00 1.74 -0.25 -4.98 116.66 103.78 2ii9 n ARG 67 Ca 0.17 0.83 -0.09 0.00 -0.77 0.00 0.00 57.85 57.99 2ii9 n ARG 67 Cb 0.21 -5.87 -0.10 0.00 -1.02 0.00 0.00 32.46 25.69 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 -5.90 0.56 0.22 5.56 1.81 -0.45 -4.98 118.95 115.77 2ii9 s ARG 68 Ca 0.33 -0.75 0.08 0.00 -1.72 0.00 0.00 55.73 53.66 2ii9 s ARG 68 Cb -0.14 0.22 -0.04 0.00 -0.45 0.00 0.00 34.95 34.53 2ii9 s ARG 68 CO 0.73 -0.14 0.05 -0.08 -0.68 0.00 0.00 175.30 175.18 2ii9 s THR 69 N -2.54 3.82 -0.04 0.02 -1.32 -1.26 -0.41 115.64 113.92 2ii9 s THR 69 Ca -0.06 -1.58 -0.02 0.00 -1.21 0.00 0.00 61.69 58.82 2ii9 s THR 69 Cb -0.02 -3.00 0.03 0.00 -1.51 0.00 0.00 72.50 68.00 2ii9 s THR 69 CO -0.04 -0.26 0.09 -0.75 -2.21 0.00 0.00 174.62 171.45 2ii9 s LYS 70 N -3.42 0.06 -0.25 7.08 2.20 0.06 -4.96 119.74 120.51 2ii9 s LYS 70 Ca 0.30 0.24 -0.18 0.00 -0.36 0.00 0.00 55.97 55.98 2ii9 s LYS 70 Cb -0.08 -0.13 -0.03 0.00 -1.51 0.00 0.00 37.83 36.08 2ii9 s LYS 70 CO 0.21 -0.12 0.51 -1.01 -0.36 0.00 0.00 175.35 174.57 2ii9 s HIS 71 N 0.81 3.28 -0.29 4.03 3.76 -1.26 -0.27 115.29 125.35 2ii9 s HIS 71 Ca -0.06 0.64 -0.04 0.00 -0.15 0.00 0.00 55.06 55.45 2ii9 s HIS 71 Cb -0.09 -2.70 0.03 0.00 1.11 0.00 0.00 32.58 30.93 2ii9 s HIS 71 CO -0.03 -0.25 0.02 0.08 -0.85 0.00 0.00 174.74 173.71 2ii9 s VAL 72 N 2.19 3.40 -0.20 -0.90 1.01 0.15 -4.97 120.40 121.09 2ii9 s VAL 72 Ca 0.21 -1.01 -0.26 0.00 0.00 0.00 0.00 61.98 60.92 2ii9 s VAL 72 Cb -0.16 -2.81 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 2ii9 s VAL 72 CO 0.09 0.04 0.88 -0.13 0.00 0.00 0.00 175.10 175.98 2ii9 s ARG 73 N 1.38 4.26 0.52 2.72 0.52 -1.26 -0.24 118.95 126.84 2ii9 s ARG 73 Ca -0.00 1.08 0.16 0.00 -0.52 0.00 0.00 55.73 56.44 2ii9 s ARG 73 Cb -0.18 -3.61 1.27 0.00 0.52 0.00 0.00 34.95 32.96 2ii9 s ARG 73 CO -0.00 -0.45 2.15 0.74 0.02 0.00 0.00 175.30 177.75 2ii9 h PHE 74 N 7.46 0.00 0.00 -0.53 0.04 -1.30 -0.83 116.94 121.79 2ii9 h PHE 74 Ca -0.25 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.51 2ii9 h PHE 74 Cb 1.11 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.25 2ii9 h PHE 74 CO 0.74 0.01 -0.04 -0.97 -0.60 0.00 0.00 178.31 177.44 2ii9 h ASN 75 N 0.00 0.00 -0.20 2.17 -0.73 -1.92 -2.45 115.58 112.44 2ii9 h ASN 75 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2ii9 h ASN 75 Cb 0.01 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.60 2ii9 h ASN 75 CO 0.00 0.04 0.00 0.47 -0.37 0.00 0.00 177.43 177.57 2ii9 n ASP 76 N -4.21 3.19 -4.62 1.15 8.00 -0.32 -4.85 116.55 114.89 2ii9 n ASP 76 Ca -0.03 -1.99 -0.43 0.00 0.71 0.00 0.00 54.79 53.06 2ii9 n ASP 76 Cb 0.13 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 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 -1.75 3.99 0.00 0.64 1.43 -0.92 -4.84 118.68 117.22 2ii9 s LEU 77 Ca 0.33 0.80 0.00 0.00 -1.03 0.00 0.00 54.13 54.24 2ii9 s LEU 77 Cb 0.21 -3.33 0.00 0.00 0.03 0.00 0.00 46.19 43.10 2ii9 s LEU 77 CO 0.31 -0.80 0.43 -0.46 0.23 0.00 0.00 176.35 176.06 2ii9 n ASN 78 N 6.66 0.00 -3.91 2.29 0.23 -1.26 -3.77 115.26 115.51 2ii9 n ASN 78 Ca 0.08 -1.03 -0.28 0.00 -0.53 0.00 0.00 54.58 52.82 2ii9 n ASN 78 Cb 0.48 -0.01 -0.17 0.00 -2.08 0.00 0.00 39.78 38.00 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 -0.03 2.48 0.46 0.53 -1.08 -1.26 -2.66 116.67 115.11 2ii9 s ASP 79 Ca 0.00 -0.46 0.23 0.00 -0.52 0.00 0.00 52.55 51.79 2ii9 s ASP 79 Cb 0.00 -0.89 1.13 0.00 -1.46 0.00 0.00 42.92 41.70 2ii9 s ASP 79 CO 0.00 -0.14 1.95 1.55 0.52 0.00 0.00 175.17 179.04 2ii9 h PRO 80 N 8.15 0.00 -2.29 4.34 0.13 -1.94 -3.41 132.00 136.97 2ii9 h PRO 80 Ca -0.28 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.78 2ii9 h PRO 80 Cb 1.12 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.06 2ii9 h PRO 80 CO 0.41 0.21 0.06 0.00 -0.23 0.00 0.00 178.00 178.46 2ii9 s ALA 81 N -4.05 -1.50 0.55 -0.56 0.00 -1.09 -5.14 121.76 109.97 2ii9 s ALA 81 Ca -0.02 1.04 -0.21 0.00 0.00 0.00 0.00 51.96 52.78 2ii9 s ALA 81 Cb 0.13 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.23 2ii9 s ALA 81 CO 0.63 -0.34 1.26 -2.14 0.00 0.00 0.00 175.76 175.17 2ii9 s PRO 82 N -1.25 3.18 0.00 0.00 0.02 -1.22 -4.00 135.00 131.72 2ii9 s PRO 82 Ca -0.12 1.98 -0.28 0.00 0.02 0.00 0.00 61.00 62.60 2ii9 s PRO 82 Cb -0.01 -2.15 -0.04 0.00 0.02 0.00 0.00 34.50 32.32 2ii9 s PRO 82 CO 0.08 -1.08 0.90 0.42 -0.33 0.00 0.00 177.00 176.99 2ii9 s ILE 83 N -1.46 4.86 0.57 2.83 1.01 -1.25 -5.00 121.20 122.76 2ii9 s ILE 83 Ca 0.73 1.89 -0.21 0.00 0.00 0.00 0.00 60.65 63.06 2ii9 s ILE 83 Cb -0.34 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 37.84 2ii9 s ILE 83 CO 0.39 0.22 1.26 -0.81 0.00 0.00 0.00 174.94 176.00 2ii9 n PRO 84 N 3.65 1.43 -2.11 2.79 -0.04 -1.26 -5.00 135.00 134.46 2ii9 n PRO 84 Ca 0.03 0.53 -0.28 0.00 -0.04 0.00 0.00 63.50 63.75 2ii9 n PRO 84 Cb 0.51 -2.47 0.05 0.00 -0.04 0.00 0.00 33.50 31.55 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 -1.34 3.19 -1.38 0.54 3.76 -1.26 -4.11 115.29 114.69 2ii9 s HIS 85 Ca 0.74 0.78 -0.07 0.00 -0.15 0.00 0.00 55.06 56.35 2ii9 s HIS 85 Cb -0.42 -3.03 0.05 0.00 1.11 0.00 0.00 32.58 30.29 2ii9 s HIS 85 CO 0.48 -1.17 0.52 -3.47 -0.85 0.00 0.00 174.74 170.25 2ii9 n ASP 86 N -2.89 -4.62 -3.91 1.40 2.03 0.49 -4.90 116.55 104.16 2ii9 n ASP 86 Ca 0.06 -0.34 -0.18 0.00 0.52 0.00 0.00 54.79 54.86 2ii9 n ASP 86 Cb 0.58 -3.78 -0.16 0.00 -0.72 0.00 0.00 41.12 37.05 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 -3.01 0.44 0.19 5.18 2.01 -1.26 -5.04 115.64 114.15 2ii9 s THR 87 Ca 0.35 -0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.93 2ii9 s THR 87 Cb -0.18 -0.45 -0.08 0.00 0.01 0.00 0.00 72.50 71.81 2ii9 s THR 87 CO 0.44 0.18 1.03 -1.81 -0.69 0.00 0.00 174.62 173.77 2ii9 s ASP 88 N 0.57 7.40 0.34 3.53 1.01 -1.26 -4.34 116.67 123.92 2ii9 s ASP 88 Ca -0.07 2.02 -0.04 0.00 0.71 0.00 0.00 52.55 55.17 2ii9 s ASP 88 Cb -0.10 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.23 2ii9 s ASP 88 CO -0.00 -0.09 0.50 0.72 0.21 0.00 0.00 175.17 176.50 2ii9 s PHE 89 N -0.52 0.93 0.04 4.23 -0.12 -0.72 -4.29 117.98 117.53 2ii9 s PHE 89 Ca 0.46 -1.21 -0.11 0.00 -0.05 0.00 0.00 56.93 56.02 2ii9 s PHE 89 Cb -0.28 0.01 0.01 0.00 -0.63 0.00 0.00 43.02 42.13 2ii9 s PHE 89 CO 0.34 -1.16 0.25 0.00 -0.05 0.00 0.00 175.22 174.60 2ii9 s ALA 90 N -3.07 -0.52 0.07 1.99 0.00 -0.58 -1.88 121.76 117.77 2ii9 s ALA 90 Ca 0.29 -0.13 0.05 0.00 0.00 0.00 0.00 51.96 52.17 2ii9 s ALA 90 Cb -0.01 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 2ii9 s ALA 90 CO 0.19 -0.38 -0.14 -1.54 0.00 0.00 0.00 175.76 173.89 2ii9 s SER 91 N -2.04 1.68 -0.10 0.00 1.04 -0.14 -0.47 113.70 113.67 2ii9 s SER 91 Ca -0.05 -0.60 0.01 0.00 0.48 0.00 0.00 55.95 55.78 2ii9 s SER 91 Cb -0.01 -0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 2ii9 s SER 91 CO -0.03 -0.07 -0.13 -0.69 0.98 0.00 0.00 173.24 173.30 2ii9 s VAL 92 N -1.24 3.10 -0.20 5.02 1.01 -0.14 -0.80 120.40 127.15 2ii9 s VAL 92 Ca -0.02 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 2ii9 s VAL 92 Cb -0.10 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 34.02 2ii9 s VAL 92 CO 0.02 0.55 -0.15 -0.63 0.00 0.00 0.00 175.10 174.89 2ii9 s ILE 93 N -0.04 2.42 0.09 2.22 1.01 0.14 -1.07 121.20 125.97 2ii9 s ILE 93 Ca -0.03 -0.88 0.08 0.00 0.00 0.00 0.00 60.65 59.82 2ii9 s ILE 93 Cb -0.14 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 2ii9 s ILE 93 CO 0.04 0.46 -0.19 -1.10 0.00 0.00 0.00 174.94 174.15 2ii9 s GLN 94 N 1.33 1.86 0.03 2.79 -0.21 0.06 -0.20 119.66 125.31 2ii9 s GLN 94 Ca 0.04 -1.12 -0.03 0.00 0.02 0.00 0.00 55.36 54.28 2ii9 s GLN 94 Cb -0.14 -2.12 -0.02 0.00 1.00 0.00 0.00 33.01 31.73 2ii9 s GLN 94 CO -0.10 0.50 0.03 0.45 -2.12 0.00 0.00 175.29 174.05 2ii9 s SER 95 N -1.85 0.23 0.37 5.90 0.15 0.09 -0.97 113.70 117.62 2ii9 s SER 95 Ca 0.16 -0.54 0.16 0.00 0.70 0.00 0.00 55.95 56.43 2ii9 s SER 95 Cb -0.10 0.16 0.69 0.00 -1.71 0.00 0.00 66.02 65.06 2ii9 s SER 95 CO 0.08 -0.41 1.76 -0.55 1.20 0.00 0.00 173.24 175.31 2ii9 h ASN 96 N 4.11 0.00 -4.13 5.45 -1.07 -1.87 -3.44 115.58 114.62 2ii9 h ASN 96 Ca -0.32 0.00 -0.43 0.00 0.07 0.00 0.00 56.30 55.61 2ii9 h ASN 96 Cb 1.19 0.00 -0.19 0.00 -2.07 0.00 0.00 38.32 37.25 2ii9 h ASN 96 CO 0.47 0.40 -0.77 0.68 0.07 0.00 0.00 177.43 178.28 2ii9 s VAL 97 N -3.78 1.34 0.32 6.14 -7.23 -1.26 -5.03 120.40 110.90 2ii9 s VAL 97 Ca -0.01 -1.62 -0.29 0.00 -1.81 0.00 0.00 61.98 58.25 2ii9 s VAL 97 Cb 0.12 -1.45 -0.12 0.00 0.56 0.00 0.00 36.38 35.50 2ii9 s VAL 97 CO 0.70 -0.34 1.47 -2.65 -0.31 0.00 0.00 175.10 173.98 2ii9 n PRO 98 N 0.74 2.48 -4.22 4.82 -0.02 -1.26 -4.57 135.00 132.96 2ii9 n PRO 98 Ca -0.17 0.88 -0.13 0.00 -2.02 0.00 0.00 63.50 62.06 2ii9 n PRO 98 Cb 0.56 -2.58 -0.10 0.00 -0.02 0.00 0.00 33.50 31.36 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 -0.57 0.47 -0.11 4.25 -4.36 -0.42 -4.69 121.20 115.76 2ii9 s ILE 99 Ca 0.60 -1.96 -0.00 0.00 -0.26 0.00 0.00 60.65 59.02 2ii9 s ILE 99 Cb -0.53 -2.17 -0.02 0.00 1.25 0.00 0.00 42.46 40.99 2ii9 s ILE 99 CO 0.56 -0.40 -0.10 -0.69 0.24 0.00 0.00 174.94 174.55 2ii9 s VAL 100 N -3.80 3.41 -0.09 8.37 1.01 0.08 -1.53 120.40 127.85 2ii9 s VAL 100 Ca 0.26 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.71 2ii9 s VAL 100 Cb 0.07 -2.42 0.01 0.00 0.00 0.00 0.00 36.38 34.03 2ii9 s VAL 100 CO 0.05 0.54 -0.16 -0.69 0.00 0.00 0.00 175.10 174.84 2ii9 s VAL 101 N -0.09 1.50 -0.03 2.92 1.01 -1.26 -0.03 120.40 124.43 2ii9 s VAL 101 Ca -0.00 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.36 2ii9 s VAL 101 Cb -0.13 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 2ii9 s VAL 101 CO 0.03 0.44 -0.21 -1.58 0.00 0.00 0.00 175.10 173.78 2ii9 s GLN 102 N 0.65 1.89 -0.20 2.72 0.74 0.80 -4.98 119.66 121.29 2ii9 s GLN 102 Ca -0.14 -0.77 -0.04 0.00 0.05 0.00 0.00 55.36 54.47 2ii9 s GLN 102 Cb -0.16 -1.75 -0.01 0.00 1.10 0.00 0.00 33.01 32.18 2ii9 s GLN 102 CO 0.04 0.41 -0.04 -1.58 -0.55 0.00 0.00 175.29 173.57 2ii9 s HIS 103 N -0.35 2.96 0.00 1.67 5.65 -1.26 0.92 115.29 124.88 2ii9 s HIS 103 Ca 0.04 -0.74 0.00 0.00 0.25 0.00 0.00 55.06 54.61 2ii9 s HIS 103 Cb -0.10 -2.06 0.00 0.00 -1.18 0.00 0.00 32.58 29.24 2ii9 s HIS 103 CO 0.00 -0.40 0.34 0.25 -0.65 0.00 0.00 174.74 174.28