#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ii7 s SER 3 N 0.00 1.57 0.18 1.96 1.04 -1.26 -4.33 113.70 112.86 2ii7 s SER 3 Ca 0.00 -0.24 0.11 0.00 0.48 0.00 0.00 55.95 56.30 2ii7 s SER 3 Cb 0.00 -0.20 -0.04 0.00 0.10 0.00 0.00 66.02 65.87 2ii7 s SER 3 CO 0.00 0.16 -0.23 -0.63 0.98 0.00 0.00 173.24 173.51 2ii7 s ILE 4 N -0.26 2.25 0.00 -1.02 1.01 -1.26 -5.07 121.20 116.85 2ii7 s ILE 4 Ca 0.04 -1.99 0.00 0.00 0.00 0.00 0.00 60.65 58.71 2ii7 s ILE 4 Cb -0.06 -2.06 0.00 0.00 0.01 0.00 0.00 42.46 40.35 2ii7 s ILE 4 CO -0.00 -0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.41 2ii7 n GLY 5 N 0.33 -1.76 3.30 6.18 0.00 -1.26 -3.60 105.19 108.37 2ii7 n GLY 5 Ca -0.13 -1.74 -0.11 0.00 0.00 0.00 0.00 46.02 44.04 2ii7 n GLY 5 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ii7 s ARG 6 N 0.00 1.25 0.00 1.61 1.70 -0.68 -4.66 118.95 118.18 2ii7 s ARG 6 Ca 0.00 -1.49 0.30 0.00 -0.47 0.00 0.00 55.73 54.07 2ii7 s ARG 6 Cb 0.00 0.32 1.41 0.00 -0.57 0.00 0.00 34.95 36.11 2ii7 s ARG 6 CO 0.00 -0.44 1.95 0.25 -1.08 0.00 0.00 175.30 175.98 2ii7 n THR 7 N -0.28 0.00 -3.79 4.99 -2.24 -1.26 -1.88 114.28 109.83 2ii7 n THR 7 Ca -0.00 -0.12 -0.13 0.00 -2.27 0.00 0.00 64.05 61.53 2ii7 n THR 7 Cb 0.65 0.01 -0.13 0.00 -2.10 0.00 0.00 70.33 68.75 2ii7 n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ii7 s TRP 9 N 0.63 0.18 0.01 0.00 0.52 0.22 -4.99 118.94 115.51 2ii7 s TRP 9 Ca -0.05 -0.38 0.04 0.00 0.02 0.00 0.00 56.10 55.74 2ii7 s TRP 9 Cb -0.06 -0.14 -0.02 0.00 -1.15 0.00 0.00 33.47 32.11 2ii7 s TRP 9 CO -0.03 -0.15 -0.13 0.00 0.02 0.00 0.00 176.95 176.66 2ii7 s ALA 10 N -1.12 1.08 -0.18 0.98 0.00 -1.26 0.12 121.76 121.37 2ii7 s ALA 10 Ca -0.12 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.16 2ii7 s ALA 10 Cb -0.08 -0.21 0.04 0.00 0.00 0.00 0.00 23.12 22.87 2ii7 s ALA 10 CO -0.01 0.23 -0.07 0.42 0.00 0.00 0.00 175.76 176.33 2ii7 s ILE 11 N -0.58 1.35 -0.12 0.00 1.01 0.50 -5.00 121.20 118.35 2ii7 s ILE 11 Ca 0.03 -0.83 0.23 0.00 0.00 0.00 0.00 60.65 60.09 2ii7 s ILE 11 Cb -0.06 -1.50 0.26 0.00 0.01 0.00 0.00 42.46 41.17 2ii7 s ILE 11 CO 0.00 0.12 1.70 0.00 0.00 0.00 0.00 174.94 176.77 2ii7 h ALA 12 N 8.05 0.93 -2.92 9.38 0.00 -1.91 -0.81 119.26 131.98 2ii7 h ALA 12 Ca -0.25 -0.16 -0.63 0.00 0.00 0.00 0.00 54.91 53.87 2ii7 h ALA 12 Cb 1.10 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 2ii7 h ALA 12 CO 0.43 0.22 -0.51 -2.00 0.00 0.00 0.00 179.25 177.39 2ii7 s GLU 13 N -3.36 3.38 -0.29 0.00 2.56 -1.26 -4.51 118.70 115.22 2ii7 s GLU 13 Ca 0.04 -0.44 -0.16 0.00 0.00 0.00 0.00 54.97 54.41 2ii7 s GLU 13 Cb 0.08 -3.02 0.16 0.00 2.00 0.00 0.00 34.13 33.35 2ii7 s GLU 13 CO 0.65 0.62 1.05 0.20 -0.56 0.00 0.00 175.26 177.22 2ii7 s GLY 14 N -2.35 0.11 -0.29 -1.50 0.00 -0.18 -4.65 107.32 98.45 2ii7 s GLY 14 Ca 0.32 3.29 -0.16 0.00 0.00 0.00 0.00 44.72 48.18 2ii7 s GLY 14 CO 0.25 2.77 1.00 -0.47 0.00 0.00 0.00 173.10 176.65 2ii7 s TYR 15 N 1.49 -0.58 -0.32 1.90 5.04 -1.26 -1.27 117.35 122.35 2ii7 s TYR 15 Ca -0.07 1.08 -0.02 0.00 -2.44 0.00 0.00 57.07 55.62 2ii7 s TYR 15 Cb -0.04 0.35 0.06 0.00 0.35 0.00 0.00 41.96 42.68 2ii7 s TYR 15 CO -0.14 -0.29 0.04 0.42 -1.34 0.00 0.00 175.55 174.24 2ii7 s ILE 16 N 1.83 2.99 0.78 3.14 1.01 -1.26 -4.58 121.20 125.10 2ii7 s ILE 16 Ca -0.06 -1.56 -0.11 0.00 0.00 0.00 0.00 60.65 58.92 2ii7 s ILE 16 Cb -0.05 -2.80 0.06 0.00 0.01 0.00 0.00 42.46 39.68 2ii7 s ILE 16 CO -0.16 -0.24 1.10 -2.84 0.00 0.00 0.00 174.94 172.80 2ii7 s PRO 17 N 1.21 2.18 0.00 2.79 0.02 -1.26 0.59 135.00 140.53 2ii7 s PRO 17 Ca -0.02 1.21 0.00 0.00 0.02 0.00 0.00 61.00 62.22 2ii7 s PRO 17 Cb -0.20 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.43 2ii7 s PRO 17 CO -0.02 -1.71 0.00 -2.30 -0.33 0.00 0.00 177.00 172.64 2ii7 n PRO 18 N -3.52 0.00 0.00 5.54 -0.02 -1.26 -4.67 135.00 131.07 2ii7 n PRO 18 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 2ii7 n PRO 18 Cb 0.53 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.97 2ii7 n PRO 18 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2ii7 n GLU 31 N 0.77 0.00 -4.42 -0.52 1.02 -1.26 -5.08 120.64 111.15 2ii7 n GLU 31 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 2ii7 n GLU 31 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.29 2ii7 n GLU 31 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2ii7 s THR 32 N 0.00 1.34 -0.32 2.62 2.01 -0.12 -2.42 115.64 118.75 2ii7 s THR 32 Ca 0.00 -1.14 -0.09 0.00 0.31 0.00 0.00 61.69 60.77 2ii7 s THR 32 Cb 0.00 -1.20 0.01 0.00 0.01 0.00 0.00 72.50 71.32 2ii7 s THR 32 CO 0.00 0.04 0.15 -0.69 -0.69 0.00 0.00 174.62 173.43 2ii7 s VAL 33 N -0.90 4.41 -0.25 3.82 1.01 -0.09 -1.01 120.40 127.38 2ii7 s VAL 33 Ca 0.04 -0.63 -0.15 0.00 0.00 0.00 0.00 61.98 61.24 2ii7 s VAL 33 Cb -0.09 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 2ii7 s VAL 33 CO 0.02 -0.02 0.37 0.00 0.00 0.00 0.00 175.10 175.47 2ii7 s ILE 35 N 1.84 2.98 -0.03 0.00 1.01 -0.17 -1.22 121.20 125.61 2ii7 s ILE 35 Ca 0.16 -1.41 0.02 0.00 0.00 0.00 0.00 60.65 59.42 2ii7 s ILE 35 Cb -0.15 -2.37 0.01 0.00 0.01 0.00 0.00 42.46 39.96 2ii7 s ILE 35 CO 0.09 0.13 -0.07 -0.22 0.00 0.00 0.00 174.94 174.87 2ii7 s LEU 36 N -2.09 1.72 -0.45 2.97 2.96 -0.10 -0.89 118.68 122.79 2ii7 s LEU 36 Ca 0.19 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 2ii7 s LEU 36 Cb -0.11 -0.46 0.13 0.00 0.50 0.00 0.00 46.19 46.26 2ii7 s LEU 36 CO 0.11 0.03 0.24 0.21 -1.32 0.00 0.00 176.35 175.62 2ii7 s ASN 37 N 0.31 3.81 0.00 3.68 3.04 0.16 -1.27 114.94 124.67 2ii7 s ASN 37 Ca -0.04 -2.67 0.06 0.00 0.04 0.00 0.00 52.86 50.24 2ii7 s ASN 37 Cb -0.09 -1.16 0.20 0.00 -1.54 0.00 0.00 41.25 38.66 2ii7 s ASN 37 CO 0.00 -0.26 1.15 0.00 -3.04 0.00 0.00 177.10 174.95 2ii7 n ALA 38 N 3.50 2.49 -1.98 1.71 0.00 -1.26 -0.74 120.51 124.22 2ii7 n ALA 38 Ca 0.07 -0.25 -0.24 0.00 0.00 0.00 0.00 53.44 53.02 2ii7 n ALA 38 Cb 0.34 -1.01 0.11 0.00 0.00 0.00 0.00 19.45 18.89 2ii7 n ALA 38 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ii7 s GLY 39 N -1.05 1.76 0.00 0.00 0.00 -1.26 -4.61 107.32 102.16 2ii7 s GLY 39 Ca 0.11 -1.64 0.25 0.00 0.00 0.00 0.00 44.72 43.44 2ii7 s GLY 39 CO 0.08 -1.09 1.52 1.22 0.00 0.00 0.00 173.10 174.83 2ii7 n ASP 40 N -2.86 2.24 -4.27 1.64 8.00 -1.26 -0.69 116.55 119.35 2ii7 n ASP 40 Ca 0.14 -1.76 -0.31 0.00 0.71 0.00 0.00 54.79 53.58 2ii7 n ASP 40 Cb 0.60 -0.06 -0.16 0.00 -0.02 0.00 0.00 41.12 41.48 2ii7 n ASP 40 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2ii7 s GLU 41 N -1.89 2.39 0.42 -1.24 2.12 -1.26 -4.85 118.70 114.40 2ii7 s GLU 41 Ca 0.34 -0.89 -0.25 0.00 0.36 0.00 0.00 54.97 54.54 2ii7 s GLU 41 Cb 0.20 -2.08 -0.10 0.00 0.26 0.00 0.00 34.13 32.41 2ii7 s GLU 41 CO 0.31 0.41 1.20 -0.25 -0.54 0.00 0.00 175.26 176.38 2ii7 n ASP 42 N 2.85 2.18 -4.52 -1.70 9.92 -1.26 -4.34 116.55 119.68 2ii7 n ASP 42 Ca -0.17 1.08 -0.38 0.00 -0.53 0.00 0.00 54.79 54.79 2ii7 n ASP 42 Cb 0.52 -1.46 -0.11 0.00 -0.64 0.00 0.00 41.12 39.43 2ii7 n ASP 42 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ii7 s ALA 43 N -1.22 3.40 -0.67 2.24 0.00 0.72 -4.83 121.76 121.40 2ii7 s ALA 43 Ca 0.62 -1.19 -0.18 0.00 0.00 0.00 0.00 51.96 51.20 2ii7 s ALA 43 Cb -0.52 -2.40 0.12 0.00 0.00 0.00 0.00 23.12 20.32 2ii7 s ALA 43 CO 0.57 -0.66 0.78 -1.01 0.00 0.00 0.00 175.76 175.44 2ii7 s HIS 44 N 1.70 3.10 0.16 0.00 3.76 -1.26 -0.33 115.29 122.41 2ii7 s HIS 44 Ca 0.06 -1.14 -0.21 0.00 -0.15 0.00 0.00 55.06 53.62 2ii7 s HIS 44 Cb -0.16 -4.04 -0.08 0.00 1.11 0.00 0.00 32.58 29.41 2ii7 s HIS 44 CO 0.08 -1.30 0.70 0.08 -0.85 0.00 0.00 174.74 173.45 2ii7 s VAL 45 N 2.41 4.56 -0.13 -0.90 1.01 -0.04 -3.66 120.40 123.65 2ii7 s VAL 45 Ca 0.16 1.38 -0.01 0.00 0.00 0.00 0.00 61.98 63.51 2ii7 s VAL 45 Cb -0.20 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.27 2ii7 s VAL 45 CO 0.02 0.40 -0.05 -1.61 0.00 0.00 0.00 175.10 173.86 2ii7 s GLU 46 N -1.50 1.31 -0.13 2.72 2.02 0.03 -2.28 118.70 120.88 2ii7 s GLU 46 Ca 0.37 -0.32 -0.04 0.00 0.02 0.00 0.00 54.97 55.00 2ii7 s GLU 46 Cb -0.19 -1.71 -0.04 0.00 0.10 0.00 0.00 34.13 32.30 2ii7 s GLU 46 CO 0.22 -0.36 0.03 0.42 0.02 0.00 0.00 175.26 175.59 2ii7 s ILE 47 N 1.72 4.57 -0.09 -1.63 1.01 -0.78 -1.61 121.20 124.39 2ii7 s ILE 47 Ca 0.03 -0.13 0.04 0.00 0.00 0.00 0.00 60.65 60.59 2ii7 s ILE 47 Cb -0.14 -2.98 -0.00 0.00 0.01 0.00 0.00 42.46 39.35 2ii7 s ILE 47 CO -0.08 0.55 -0.24 -0.89 0.00 0.00 0.00 174.94 174.29 2ii7 s THR 48 N -0.39 2.02 -0.19 2.92 2.01 -0.36 -1.09 115.64 120.56 2ii7 s THR 48 Ca 0.08 -1.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.00 2ii7 s THR 48 Cb -0.12 -1.74 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 2ii7 s THR 48 CO 0.02 0.55 0.08 -0.63 -0.69 0.00 0.00 174.62 173.95 2ii7 s ILE 49 N 0.30 4.91 0.14 1.82 -1.09 -1.22 -1.19 121.20 124.88 2ii7 s ILE 49 Ca -0.17 0.01 0.07 0.00 -2.23 0.00 0.00 60.65 58.33 2ii7 s ILE 49 Cb -0.17 -3.22 -0.04 0.00 -1.58 0.00 0.00 42.46 37.44 2ii7 s ILE 49 CO 0.08 0.46 -0.02 -0.31 -1.23 0.00 0.00 174.94 173.92 2ii7 s TYR 50 N 0.36 2.85 0.42 3.97 1.51 0.22 -1.32 117.35 125.36 2ii7 s TYR 50 Ca 0.04 -0.12 0.03 0.00 -1.01 0.00 0.00 57.07 56.01 2ii7 s TYR 50 Cb -0.12 -1.42 -0.03 0.00 -0.11 0.00 0.00 41.96 40.28 2ii7 s TYR 50 CO -0.00 0.49 0.08 0.71 -1.11 0.00 0.00 175.55 175.72 2ii7 s TYR 51 N -1.55 1.87 -0.32 2.71 2.02 -1.26 -0.96 117.35 119.86 2ii7 s TYR 51 Ca 0.26 -1.12 0.23 0.00 -0.37 0.00 0.00 57.07 56.06 2ii7 s TYR 51 Cb -0.10 -1.32 -0.03 0.00 -0.40 0.00 0.00 41.96 40.11 2ii7 s TYR 51 CO 0.18 -0.08 0.94 -1.13 -1.57 0.00 0.00 175.55 173.89 2ii7 n SER 52 N -1.18 0.61 0.00 2.29 3.41 -1.26 -4.61 113.62 112.88 2ii7 n SER 52 Ca -0.08 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2ii7 n SER 52 Cb 0.66 0.83 0.00 0.00 -0.26 0.00 0.00 64.21 65.44 2ii7 n SER 52 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2ii7 n ASP 53 N -2.37 3.42 -4.55 4.04 5.68 -1.26 -5.10 116.55 116.42 2ii7 n ASP 53 Ca -0.00 0.00 -0.25 0.00 -0.50 0.00 0.00 54.79 54.04 2ii7 n ASP 53 Cb 0.52 0.56 -0.10 0.00 -1.14 0.00 0.00 41.12 40.96 2ii7 n ASP 53 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2ii7 s LYS 54 N -1.48 1.86 0.96 0.11 -2.85 -1.26 -5.14 119.74 111.94 2ii7 s LYS 54 Ca 0.00 -1.86 -0.11 0.00 -1.00 0.00 0.00 55.97 53.00 2ii7 s LYS 54 Cb 0.00 -1.77 0.17 0.00 -2.06 0.00 0.00 37.83 34.17 2ii7 s LYS 54 CO 0.00 0.18 1.10 -1.21 0.10 0.00 0.00 175.35 175.52 2ii7 s GLU 55 N -3.61 0.67 0.53 1.78 0.41 -1.26 -4.13 118.70 113.08 2ii7 s GLU 55 Ca 0.32 1.21 -0.22 0.00 -0.41 0.00 0.00 54.97 55.88 2ii7 s GLU 55 Cb 0.01 -1.71 -0.05 0.00 -1.78 0.00 0.00 34.13 30.59 2ii7 s GLU 55 CO 0.17 -2.76 1.30 -2.14 -0.49 0.00 0.00 175.26 171.33 2ii7 s PRO 56 N -4.67 3.26 -0.27 0.39 0.02 -1.26 -4.68 135.00 127.80 2ii7 s PRO 56 Ca 0.66 2.09 -0.14 0.00 0.02 0.00 0.00 61.00 63.63 2ii7 s PRO 56 Cb -0.22 -2.26 -0.04 0.00 0.02 0.00 0.00 34.50 32.00 2ii7 s PRO 56 CO 0.59 -1.05 0.34 0.08 -0.33 0.00 0.00 177.00 176.64 2ii7 s VAL 57 N -1.39 5.20 0.00 3.83 1.01 -0.44 -4.97 120.40 123.65 2ii7 s VAL 57 Ca 0.70 0.50 0.00 0.00 0.00 0.00 0.00 61.98 63.18 2ii7 s VAL 57 Cb -0.37 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.35 2ii7 s VAL 57 CO 0.43 0.18 0.00 0.61 0.00 0.00 0.00 175.10 176.32 2ii7 n GLY 58 N 4.70 0.00 3.66 4.51 0.00 -1.26 -3.45 105.19 113.34 2ii7 n GLY 58 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2ii7 n GLY 58 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2ii7 s PRO 59 N 0.00 4.18 -0.52 1.61 0.02 -1.26 -4.58 135.00 134.45 2ii7 s PRO 59 Ca 0.00 2.18 -0.18 0.00 0.02 0.00 0.00 61.00 63.02 2ii7 s PRO 59 Cb 0.00 -3.98 0.08 0.00 0.02 0.00 0.00 34.50 30.62 2ii7 s PRO 59 CO 0.00 -0.84 0.59 0.71 -0.33 0.00 0.00 177.00 177.12 2ii7 s TYR 60 N 4.01 3.09 0.55 6.54 1.51 -0.25 -4.41 117.35 128.39 2ii7 s TYR 60 Ca 0.73 -0.77 -0.15 0.00 -1.01 0.00 0.00 57.07 55.87 2ii7 s TYR 60 Cb -0.33 -3.59 -0.07 0.00 -0.11 0.00 0.00 41.96 37.86 2ii7 s TYR 60 CO 0.29 -1.04 1.00 1.03 -1.11 0.00 0.00 175.55 175.72 2ii7 s ARG 61 N 2.37 3.83 -0.28 -0.62 0.52 -1.26 -1.86 118.95 121.65 2ii7 s ARG 61 Ca 0.11 0.91 -0.31 0.00 -0.52 0.00 0.00 55.73 55.92 2ii7 s ARG 61 Cb -0.22 -2.12 0.18 0.00 0.52 0.00 0.00 34.95 33.31 2ii7 s ARG 61 CO 0.09 -0.37 1.34 -1.17 0.02 0.00 0.00 175.30 175.21 2ii7 s LEU 62 N -4.38 -0.05 0.05 2.53 0.20 -0.96 -4.99 118.68 111.07 2ii7 s LEU 62 Ca 0.58 0.05 0.08 0.00 0.69 0.00 0.00 54.13 55.52 2ii7 s LEU 62 Cb -0.10 1.13 -0.03 0.00 -0.43 0.00 0.00 46.19 46.76 2ii7 s LEU 62 CO 0.37 -0.06 -0.22 -0.89 -0.29 0.00 0.00 176.35 175.27 2ii7 s THR 63 N -1.27 1.79 -0.27 3.68 2.01 -1.26 -0.86 115.64 119.45 2ii7 s THR 63 Ca 0.09 -1.25 0.02 0.00 0.31 0.00 0.00 61.69 60.85 2ii7 s THR 63 Cb -0.01 -1.55 0.08 0.00 0.01 0.00 0.00 72.50 71.03 2ii7 s THR 63 CO -0.06 0.24 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.40 2ii7 s VAL 64 N -0.81 1.69 0.59 3.82 1.01 0.54 -4.97 120.40 122.27 2ii7 s VAL 64 Ca 0.09 -1.57 -0.18 0.00 0.00 0.00 0.00 61.98 60.32 2ii7 s VAL 64 Cb -0.09 -2.05 -0.07 0.00 0.00 0.00 0.00 36.38 34.17 2ii7 s VAL 64 CO 0.02 -0.30 0.73 -2.65 0.00 0.00 0.00 175.10 172.90 2ii7 n PRO 65 N 4.57 0.67 -1.70 2.72 -0.02 -1.26 -0.20 135.00 139.78 2ii7 n PRO 65 Ca -0.07 0.26 -0.41 0.00 -2.02 0.00 0.00 63.50 61.27 2ii7 n PRO 65 Cb 0.43 -1.92 0.02 0.00 -0.02 0.00 0.00 33.50 32.01 2ii7 n PRO 65 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ii7 n ALA 66 N -1.74 1.27 -3.88 3.55 0.00 -1.26 -2.64 120.51 115.80 2ii7 n ALA 66 Ca 0.13 0.24 -0.26 0.00 0.00 0.00 0.00 53.44 53.55 2ii7 n ALA 66 Cb 0.48 -2.27 0.01 0.00 0.00 0.00 0.00 19.45 17.67 2ii7 n ALA 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ii7 n ARG 67 N -0.07 -4.46 -3.99 0.00 1.74 0.13 -4.97 116.66 105.03 2ii7 n ARG 67 Ca 0.07 0.53 -0.09 0.00 -0.77 0.00 0.00 57.85 57.59 2ii7 n ARG 67 Cb 0.40 -5.08 -0.08 0.00 -1.02 0.00 0.00 32.46 26.69 2ii7 n ARG 67 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2ii7 s ARG 68 N -6.41 1.06 0.43 5.56 1.81 -0.68 -4.97 118.95 115.75 2ii7 s ARG 68 Ca 0.26 -1.21 0.06 0.00 -1.72 0.00 0.00 55.73 53.12 2ii7 s ARG 68 Cb -0.13 0.34 -0.06 0.00 -0.45 0.00 0.00 34.95 34.65 2ii7 s ARG 68 CO 0.85 -0.36 0.09 -0.08 -0.68 0.00 0.00 175.30 175.12 2ii7 s THR 69 N -3.97 2.01 -0.30 0.02 -1.32 -1.26 -0.66 115.64 110.16 2ii7 s THR 69 Ca 0.17 -1.86 -0.15 0.00 -1.21 0.00 0.00 61.69 58.64 2ii7 s THR 69 Cb 0.05 -2.88 0.16 0.00 -1.51 0.00 0.00 72.50 68.31 2ii7 s THR 69 CO -0.01 0.00 0.95 -0.75 -2.21 0.00 0.00 174.62 172.60 2ii7 s LYS 70 N -3.82 0.34 0.05 7.08 2.20 -0.07 -4.92 119.74 120.59 2ii7 s LYS 70 Ca 0.34 0.80 -0.15 0.00 -0.36 0.00 0.00 55.97 56.59 2ii7 s LYS 70 Cb 0.06 0.43 -0.06 0.00 -1.51 0.00 0.00 37.83 36.75 2ii7 s LYS 70 CO 0.18 -0.11 0.47 -1.01 -0.36 0.00 0.00 175.35 174.52 2ii7 s HIS 71 N 2.33 3.72 -0.22 4.03 3.76 -1.26 -1.00 115.29 126.64 2ii7 s HIS 71 Ca -0.04 1.06 -0.02 0.00 -0.15 0.00 0.00 55.06 55.92 2ii7 s HIS 71 Cb -0.06 -2.34 0.07 0.00 1.11 0.00 0.00 32.58 31.35 2ii7 s HIS 71 CO -0.17 0.59 0.02 0.08 -0.85 0.00 0.00 174.74 174.41 2ii7 s VAL 72 N -1.16 0.85 0.06 -0.90 1.01 0.12 -4.96 120.40 115.41 2ii7 s VAL 72 Ca 0.28 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 2ii7 s VAL 72 Cb -0.17 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 2ii7 s VAL 72 CO 0.16 -0.26 1.16 -0.13 0.00 0.00 0.00 175.10 176.03 2ii7 s ARG 73 N 1.70 4.46 0.40 2.72 0.52 -1.26 -0.91 118.95 126.58 2ii7 s ARG 73 Ca -0.01 1.71 0.08 0.00 -0.52 0.00 0.00 55.73 56.99 2ii7 s ARG 73 Cb -0.18 -3.36 0.84 0.00 0.52 0.00 0.00 34.95 32.78 2ii7 s ARG 73 CO -0.10 -0.20 2.02 0.74 0.02 0.00 0.00 175.30 177.77 2ii7 h PHE 74 N 6.68 0.44 -0.52 -0.53 0.04 -1.86 -1.94 116.94 119.25 2ii7 h PHE 74 Ca -0.42 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.34 2ii7 h PHE 74 Cb 1.21 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 39.20 2ii7 h PHE 74 CO 0.67 0.34 0.29 -0.97 -0.60 0.00 0.00 178.31 178.03 2ii7 h ASN 75 N 0.45 0.62 0.69 2.17 -0.73 -1.91 -2.01 115.58 114.87 2ii7 h ASN 75 Ca 0.12 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.25 2ii7 h ASN 75 Cb 0.07 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.50 2ii7 h ASN 75 CO -0.01 0.50 0.00 0.47 -0.37 0.00 0.00 177.43 178.01 2ii7 n ASP 76 N -4.41 0.32 -4.75 1.15 9.92 -0.73 -4.75 116.55 113.30 2ii7 n ASP 76 Ca 0.04 0.57 -0.41 0.00 -0.53 0.00 0.00 54.79 54.47 2ii7 n ASP 76 Cb 0.09 -0.64 -0.03 0.00 -0.64 0.00 0.00 41.12 39.90 2ii7 n ASP 76 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2ii7 s LEU 77 N -3.69 4.45 0.00 0.64 1.02 -0.76 -4.87 118.68 115.48 2ii7 s LEU 77 Ca 0.07 2.38 0.00 0.00 0.02 0.00 0.00 54.13 56.60 2ii7 s LEU 77 Cb 0.10 -3.62 0.00 0.00 0.02 0.00 0.00 46.19 42.69 2ii7 s LEU 77 CO 0.35 -0.42 0.00 -0.46 0.02 0.00 0.00 176.35 175.85 2ii7 n ASN 78 N 2.03 0.00 -4.34 2.29 0.23 -1.26 -4.10 115.26 110.11 2ii7 n ASN 78 Ca 0.03 0.00 -0.33 0.00 -0.53 0.00 0.00 54.58 53.75 2ii7 n ASN 78 Cb 0.43 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 37.99 2ii7 n ASN 78 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2ii7 s ASP 79 N -0.58 3.99 0.32 0.53 2.15 -1.26 -0.49 116.67 121.34 2ii7 s ASP 79 Ca 0.00 -0.37 0.04 0.00 0.43 0.00 0.00 52.55 52.65 2ii7 s ASP 79 Cb 0.00 -1.62 0.65 0.00 -0.30 0.00 0.00 42.92 41.64 2ii7 s ASP 79 CO 0.00 0.12 1.89 -0.65 -0.17 0.00 0.00 175.17 176.35 2ii7 h PRO 80 N 7.08 0.86 -3.22 4.34 0.11 -1.88 -3.41 132.00 135.87 2ii7 h PRO 80 Ca -0.30 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.71 2ii7 h PRO 80 Cb 1.20 -0.19 -0.13 0.00 0.11 0.00 0.00 31.00 31.98 2ii7 h PRO 80 CO 0.57 0.57 0.01 0.00 -0.21 0.00 0.00 178.00 178.94 2ii7 s ALA 81 N -5.82 -1.14 0.55 -0.75 0.00 0.36 -5.14 121.76 109.82 2ii7 s ALA 81 Ca -0.11 0.16 -0.18 0.00 0.00 0.00 0.00 51.96 51.83 2ii7 s ALA 81 Cb 0.21 0.69 -0.05 0.00 0.00 0.00 0.00 23.12 23.97 2ii7 s ALA 81 CO 0.79 -0.65 1.07 -2.14 0.00 0.00 0.00 175.76 174.83 2ii7 s PRO 82 N -3.60 3.45 -0.22 0.00 0.02 -1.10 -4.01 135.00 129.54 2ii7 s PRO 82 Ca 0.01 1.35 -0.25 0.00 0.02 0.00 0.00 61.00 62.14 2ii7 s PRO 82 Cb 0.01 -2.04 -0.01 0.00 0.02 0.00 0.00 34.50 32.48 2ii7 s PRO 82 CO -0.11 -0.72 0.82 0.42 -0.33 0.00 0.00 177.00 177.08 2ii7 s ILE 83 N -2.15 4.86 -0.02 2.83 1.09 -1.26 -4.98 121.20 121.57 2ii7 s ILE 83 Ca 0.67 1.57 -0.37 0.00 -1.10 0.00 0.00 60.65 61.42 2ii7 s ILE 83 Cb -0.18 -4.11 -0.15 0.00 -1.06 0.00 0.00 42.46 36.96 2ii7 s ILE 83 CO 0.29 -0.03 1.58 -2.65 -0.10 0.00 0.00 174.94 174.03 2ii7 n PRO 84 N 5.72 1.51 -1.40 2.79 -0.02 -1.26 -4.94 135.00 137.41 2ii7 n PRO 84 Ca 0.05 0.55 -0.29 0.00 -2.02 0.00 0.00 63.50 61.79 2ii7 n PRO 84 Cb 0.48 -2.26 0.14 0.00 -0.02 0.00 0.00 33.50 31.84 2ii7 n PRO 84 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2ii7 s HIS 85 N 1.93 2.42 -1.53 6.00 3.76 -1.26 -3.71 115.29 122.89 2ii7 s HIS 85 Ca 0.88 0.97 -0.08 0.00 -0.15 0.00 0.00 55.06 56.69 2ii7 s HIS 85 Cb -0.89 -3.29 0.06 0.00 1.11 0.00 0.00 32.58 29.57 2ii7 s HIS 85 CO 0.51 -2.44 0.57 -3.47 -0.85 0.00 0.00 174.74 169.05 2ii7 n ASP 86 N -3.85 -1.61 -3.76 1.40 -0.08 0.20 -4.96 116.55 103.89 2ii7 n ASP 86 Ca 0.06 -1.01 -0.15 0.00 -1.51 0.00 0.00 54.79 52.19 2ii7 n ASP 86 Cb 0.58 -2.93 -0.16 0.00 2.34 0.00 0.00 41.12 40.96 2ii7 n ASP 86 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2ii7 s THR 87 N -3.69 -0.06 -0.09 5.18 2.01 -1.24 -5.04 115.64 112.70 2ii7 s THR 87 Ca 0.31 0.22 -0.30 0.00 0.31 0.00 0.00 61.69 62.23 2ii7 s THR 87 Cb -0.17 -0.14 -0.02 0.00 0.01 0.00 0.00 72.50 72.18 2ii7 s THR 87 CO 0.91 0.09 1.11 -1.81 -0.69 0.00 0.00 174.62 174.23 2ii7 s ASP 88 N 1.18 7.14 0.31 3.53 1.01 -1.26 -4.39 116.67 124.18 2ii7 s ASP 88 Ca -0.08 1.67 0.04 0.00 0.71 0.00 0.00 52.55 54.89 2ii7 s ASP 88 Cb -0.12 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.21 2ii7 s ASP 88 CO -0.04 -0.53 0.19 0.72 0.21 0.00 0.00 175.17 175.72 2ii7 s PHE 89 N 2.19 1.62 0.19 4.23 -0.71 -0.40 -4.28 117.98 120.82 2ii7 s PHE 89 Ca 0.52 -1.46 -0.04 0.00 -1.04 0.00 0.00 56.93 54.92 2ii7 s PHE 89 Cb -0.21 -0.81 -0.03 0.00 -1.21 0.00 0.00 43.02 40.76 2ii7 s PHE 89 CO 0.19 -0.62 0.19 0.00 -1.34 0.00 0.00 175.22 173.64 2ii7 s ALA 90 N -3.58 0.79 0.11 1.99 0.00 -0.13 -1.01 121.76 119.93 2ii7 s ALA 90 Ca 0.36 -1.46 -0.10 0.00 0.00 0.00 0.00 51.96 50.77 2ii7 s ALA 90 Cb 0.04 1.20 0.00 0.00 0.00 0.00 0.00 23.12 24.37 2ii7 s ALA 90 CO 0.20 -0.62 0.25 -1.54 0.00 0.00 0.00 175.76 174.04 2ii7 s SER 91 N -3.10 0.05 -0.06 0.00 1.04 -0.31 0.70 113.70 112.01 2ii7 s SER 91 Ca 0.32 -0.65 0.01 0.00 0.48 0.00 0.00 55.95 56.11 2ii7 s SER 91 Cb 0.06 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.58 2ii7 s SER 91 CO 0.09 -0.79 -0.06 -0.69 0.98 0.00 0.00 173.24 172.76 2ii7 s VAL 92 N -3.88 0.76 -0.24 5.02 1.01 -0.33 -0.37 120.40 122.37 2ii7 s VAL 92 Ca 0.07 -0.22 -0.05 0.00 0.00 0.00 0.00 61.98 61.79 2ii7 s VAL 92 Cb 0.04 -0.77 -0.00 0.00 0.00 0.00 0.00 36.38 35.65 2ii7 s VAL 92 CO -0.09 0.29 -0.00 -0.63 0.00 0.00 0.00 175.10 174.67 2ii7 s ILE 93 N 1.12 3.57 0.13 2.22 1.09 0.12 -1.23 121.20 128.21 2ii7 s ILE 93 Ca -0.07 -0.55 0.11 0.00 -1.10 0.00 0.00 60.65 59.04 2ii7 s ILE 93 Cb -0.14 -2.69 -0.04 0.00 -1.06 0.00 0.00 42.46 38.52 2ii7 s ILE 93 CO -0.01 0.32 -0.25 -1.10 -0.10 0.00 0.00 174.94 173.80 2ii7 s GLN 94 N 1.49 1.50 0.04 2.79 -0.21 -0.63 -0.61 119.66 124.02 2ii7 s GLN 94 Ca 0.05 -1.32 -0.03 0.00 0.02 0.00 0.00 55.36 54.07 2ii7 s GLN 94 Cb -0.15 -1.95 -0.02 0.00 1.00 0.00 0.00 33.01 31.89 2ii7 s GLN 94 CO -0.01 0.45 0.04 0.45 -2.12 0.00 0.00 175.29 174.10 2ii7 s SER 95 N -2.11 0.29 0.35 5.90 0.15 -0.23 -0.79 113.70 117.25 2ii7 s SER 95 Ca 0.15 -0.69 0.18 0.00 0.70 0.00 0.00 55.95 56.30 2ii7 s SER 95 Cb -0.10 0.21 0.39 0.00 -1.71 0.00 0.00 66.02 64.81 2ii7 s SER 95 CO 0.07 -0.52 1.60 -0.55 1.20 0.00 0.00 173.24 175.03 2ii7 h ASN 96 N 3.57 0.00 -3.84 5.45 -1.07 -1.88 -3.44 115.58 114.38 2ii7 h ASN 96 Ca -0.33 0.00 -0.40 0.00 0.07 0.00 0.00 56.30 55.64 2ii7 h ASN 96 Cb 1.18 0.00 -0.17 0.00 -2.07 0.00 0.00 38.32 37.26 2ii7 h ASN 96 CO 0.55 0.37 -0.74 0.68 0.07 0.00 0.00 177.43 178.36 2ii7 s VAL 97 N -3.24 1.39 0.24 6.14 -7.23 -1.26 -5.03 120.40 111.40 2ii7 s VAL 97 Ca 0.03 -1.91 -0.31 0.00 -1.81 0.00 0.00 61.98 57.98 2ii7 s VAL 97 Cb 0.08 -1.72 -0.13 0.00 0.56 0.00 0.00 36.38 35.18 2ii7 s VAL 97 CO 0.70 -0.53 1.52 -2.65 -0.31 0.00 0.00 175.10 173.83 2ii7 n PRO 98 N 0.17 2.32 -4.17 4.82 -0.02 -1.26 -4.54 135.00 132.31 2ii7 n PRO 98 Ca -0.13 0.83 -0.11 0.00 -2.02 0.00 0.00 63.50 62.08 2ii7 n PRO 98 Cb 0.59 -2.56 -0.10 0.00 -0.02 0.00 0.00 33.50 31.41 2ii7 n PRO 98 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2ii7 s ILE 99 N 0.21 0.20 -0.16 4.25 -4.36 -0.79 -4.70 121.20 115.85 2ii7 s ILE 99 Ca 0.69 -1.93 -0.01 0.00 -0.26 0.00 0.00 60.65 59.14 2ii7 s ILE 99 Cb -0.59 -2.12 -0.01 0.00 1.25 0.00 0.00 42.46 41.00 2ii7 s ILE 99 CO 0.46 -0.41 -0.12 -0.69 0.24 0.00 0.00 174.94 174.41 2ii7 s VAL 100 N -3.98 2.90 0.08 8.37 1.01 -0.39 -1.68 120.40 126.70 2ii7 s VAL 100 Ca 0.26 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 61.63 2ii7 s VAL 100 Cb 0.07 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 2ii7 s VAL 100 CO 0.03 0.50 -0.18 -0.69 0.00 0.00 0.00 175.10 174.76 2ii7 s VAL 101 N 0.87 2.79 -0.15 2.92 1.01 -1.26 -0.92 120.40 125.66 2ii7 s VAL 101 Ca -0.03 -1.35 -0.07 0.00 0.00 0.00 0.00 61.98 60.52 2ii7 s VAL 101 Cb -0.15 -2.22 0.06 0.00 0.00 0.00 0.00 36.38 34.07 2ii7 s VAL 101 CO -0.00 0.22 0.34 -1.58 0.00 0.00 0.00 175.10 174.07 2ii7 s GLN 102 N -1.78 0.28 0.22 2.72 0.74 -0.36 -5.00 119.66 116.47 2ii7 s GLN 102 Ca 0.16 0.74 -0.25 0.00 0.05 0.00 0.00 55.36 56.06 2ii7 s GLN 102 Cb -0.10 0.00 -0.09 0.00 1.10 0.00 0.00 33.01 33.92 2ii7 s GLN 102 CO 0.07 -0.20 0.83 -1.58 -0.55 0.00 0.00 175.29 173.86 2ii7 s HIS 103 N 1.74 3.84 0.00 1.67 5.65 -1.26 -0.97 115.29 125.96 2ii7 s HIS 103 Ca -0.06 1.67 0.00 0.00 0.25 0.00 0.00 55.06 56.91 2ii7 s HIS 103 Cb -0.10 -2.80 0.00 0.00 -1.18 0.00 0.00 32.58 28.49 2ii7 s HIS 103 CO -0.11 0.42 0.00 2.41 -0.65 0.00 0.00 174.74 176.81