#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ri0 s SER 2 N 0.00 -0.01 0.92 7.83 1.04 -1.26 -5.15 113.70 117.07 1ri0 s SER 2 Ca 0.00 -0.01 -0.11 0.00 0.48 0.00 0.00 55.95 56.30 1ri0 s SER 2 Cb 0.00 0.18 0.10 0.00 0.10 0.00 0.00 66.02 66.39 1ri0 s SER 2 CO 0.00 -0.15 0.86 -2.11 0.98 0.00 0.00 173.24 172.82 1ri0 n ARG 3 N 2.47 -0.33 -3.65 4.02 1.85 -1.26 -4.97 116.66 114.79 1ri0 n ARG 3 Ca -0.16 -0.04 -0.39 0.00 -1.00 0.00 0.00 57.85 56.26 1ri0 n ARG 3 Cb 0.58 -2.17 -0.12 0.00 -1.05 0.00 0.00 32.46 29.70 1ri0 n ARG 3 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1ri0 s SER 4 N -2.33 5.59 0.41 2.89 0.01 -1.26 -5.08 113.70 113.92 1ri0 s SER 4 Ca 0.64 -0.51 0.08 0.00 1.31 0.00 0.00 55.95 57.47 1ri0 s SER 4 Cb -0.23 -2.01 -0.01 0.00 0.21 0.00 0.00 66.02 63.98 1ri0 s SER 4 CO 0.61 -0.19 0.46 0.54 0.41 0.00 0.00 173.24 175.06 1ri0 s ASN 5 N 1.62 5.35 1.12 2.44 4.22 -1.26 -5.12 114.94 123.31 1ri0 s ASN 5 Ca 0.05 -0.57 -0.15 0.00 -2.14 0.00 0.00 52.86 50.04 1ri0 s ASN 5 Cb -0.17 -0.66 0.22 0.00 1.28 0.00 0.00 41.25 41.92 1ri0 s ASN 5 CO 0.07 -0.67 0.94 -2.11 -2.04 0.00 0.00 177.10 173.28 1ri0 n ARG 6 N -1.67 -2.04 -0.07 3.55 0.00 -1.26 -5.03 116.66 110.15 1ri0 n ARG 6 Ca 0.05 -1.47 -0.10 0.00 -0.00 0.00 0.00 57.85 56.32 1ri0 n ARG 6 Cb 0.60 -1.21 -0.06 0.00 -0.00 0.00 0.00 32.46 31.79 1ri0 n ARG 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ri0 n GLN 7 N -3.77 0.34 0.00 2.89 0.00 -1.26 -4.93 117.38 110.65 1ri0 n GLN 7 Ca 0.12 0.09 0.00 0.00 0.00 0.00 0.00 57.00 57.21 1ri0 n GLN 7 Cb 0.46 -1.25 0.00 0.00 0.00 0.00 0.00 30.24 29.45 1ri0 n GLN 7 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1ri0 n LYS 8 N -2.99 0.00 -1.55 2.61 0.00 -1.26 -4.99 118.16 109.98 1ri0 n LYS 8 Ca -0.25 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 57.75 1ri0 n LYS 8 Cb 0.75 -0.43 -0.05 0.00 -0.00 0.00 0.00 35.03 35.30 1ri0 n LYS 8 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1ri0 n GLU 9 N -1.59 0.85 -4.54 -1.58 0.28 -1.26 -4.90 120.64 107.90 1ri0 n GLU 9 Ca 0.00 -0.19 -0.33 0.00 -0.16 0.00 0.00 57.16 56.48 1ri0 n GLU 9 Cb 0.00 -3.34 -0.16 0.00 1.43 0.00 0.00 31.44 29.37 1ri0 n GLU 9 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 1ri0 s TYR 10 N 12.41 2.71 0.35 -1.84 1.13 -1.26 -4.74 117.35 126.12 1ri0 s TYR 10 Ca 1.00 -1.35 0.08 0.00 -1.41 0.00 0.00 57.07 55.39 1ri0 s TYR 10 Cb -0.24 -1.85 -0.03 0.00 -1.10 0.00 0.00 41.96 38.74 1ri0 s TYR 10 CO 0.24 -0.63 0.27 1.63 -2.51 0.00 0.00 175.55 174.56 1ri0 n LYS 11 N 4.18 0.44 -1.38 -3.49 5.02 -1.26 -5.02 118.16 116.65 1ri0 n LYS 11 Ca -0.20 -3.44 -0.50 0.00 -2.02 0.00 0.00 58.31 52.15 1ri0 n LYS 11 Cb 0.51 2.71 -0.05 0.00 -0.02 0.00 0.00 35.03 38.18 1ri0 n LYS 11 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ri0 n GLY 13 N 1.74 1.13 3.71 0.00 0.00 -1.25 -5.03 105.19 105.49 1ri0 n GLY 13 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1ri0 n GLY 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ri0 s ASP 14 N -2.94 6.94 -0.17 1.61 -1.08 0.16 -4.92 116.67 116.27 1ri0 s ASP 14 Ca 0.00 1.13 -0.07 0.00 -0.52 0.00 0.00 52.55 53.10 1ri0 s ASP 14 Cb 0.00 -2.40 -0.04 0.00 -1.46 0.00 0.00 42.92 39.02 1ri0 s ASP 14 CO 0.00 -0.14 0.05 -0.22 0.52 0.00 0.00 175.17 175.38 1ri0 s LEU 15 N 0.96 3.74 0.36 -1.34 1.98 -1.26 -0.30 118.68 122.81 1ri0 s LEU 15 Ca 0.36 0.07 -0.02 0.00 -2.89 0.00 0.00 54.13 51.65 1ri0 s LEU 15 Cb -0.17 -1.93 0.01 0.00 0.66 0.00 0.00 46.19 44.75 1ri0 s LEU 15 CO 0.17 0.19 0.50 0.68 -1.89 0.00 0.00 176.35 176.00 1ri0 s VAL 16 N 0.27 0.00 -0.18 1.68 -7.23 -0.92 -4.98 120.40 109.04 1ri0 s VAL 16 Ca 0.03 -1.58 -0.19 0.00 -1.81 0.00 0.00 61.98 58.43 1ri0 s VAL 16 Cb -0.13 -2.69 -0.03 0.00 0.56 0.00 0.00 36.38 34.09 1ri0 s VAL 16 CO 0.01 0.00 0.53 0.12 -0.31 0.00 0.00 175.10 175.44 1ri0 s PHE 17 N -2.89 3.41 -0.05 2.82 2.19 -0.89 -1.84 117.98 120.74 1ri0 s PHE 17 Ca 0.30 0.83 0.05 0.00 0.33 0.00 0.00 56.93 58.44 1ri0 s PHE 17 Cb -0.01 -2.66 -0.00 0.00 -1.31 0.00 0.00 43.02 39.04 1ri0 s PHE 17 CO 0.21 -0.04 -0.18 0.00 1.83 0.00 0.00 175.22 177.04 1ri0 s ALA 18 N 1.40 1.62 0.11 11.12 0.00 0.49 0.17 121.76 136.67 1ri0 s ALA 18 Ca 0.25 -0.74 0.10 0.00 0.00 0.00 0.00 51.96 51.57 1ri0 s ALA 18 Cb -0.15 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 1ri0 s ALA 18 CO 0.10 0.30 -0.24 -1.59 0.00 0.00 0.00 175.76 174.33 1ri0 s LYS 19 N 0.01 1.30 0.16 0.00 0.00 -0.68 -0.18 119.74 120.35 1ri0 s LYS 19 Ca -0.04 -1.24 0.05 0.00 0.00 0.00 0.00 55.97 54.74 1ri0 s LYS 19 Cb -0.12 -1.67 -0.05 0.00 0.00 0.00 0.00 37.83 35.99 1ri0 s LYS 19 CO 0.02 0.40 -0.09 1.41 0.00 0.00 0.00 175.35 177.09 1ri0 s MET 20 N -1.92 1.12 0.03 1.78 1.75 -0.99 -4.84 119.30 116.23 1ri0 s MET 20 Ca 0.10 -1.50 -0.32 0.00 -1.25 0.00 0.00 55.69 52.73 1ri0 s MET 20 Cb -0.10 -0.66 -0.11 0.00 2.84 0.00 0.00 34.83 36.80 1ri0 s MET 20 CO 0.05 0.06 1.87 1.17 -0.65 0.00 0.00 175.02 177.52 1ri0 n LYS 21 N -0.24 2.57 0.00 4.11 0.00 -1.26 0.06 118.16 123.39 1ri0 n LYS 21 Ca -0.09 0.94 0.00 0.00 0.00 0.00 0.00 58.31 59.15 1ri0 n LYS 21 Cb 0.61 -2.82 0.00 0.00 0.00 0.00 0.00 35.03 32.82 1ri0 n LYS 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ri0 n GLY 22 N 4.31 3.19 3.47 3.14 0.00 -1.26 -5.00 105.19 113.04 1ri0 n GLY 22 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1ri0 n GLY 22 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ri0 s TYR 23 N -1.80 2.93 0.59 1.61 5.04 0.11 -5.11 117.35 120.73 1ri0 s TYR 23 Ca 0.00 -0.35 -0.15 0.00 -2.44 0.00 0.00 57.07 54.12 1ri0 s TYR 23 Cb 0.00 -1.87 -0.04 0.00 0.35 0.00 0.00 41.96 40.40 1ri0 s TYR 23 CO 0.00 -0.03 1.05 -1.25 -1.34 0.00 0.00 175.55 173.98 1ri0 s PRO 24 N 0.13 3.35 -0.48 4.97 0.04 -1.26 -2.36 135.00 139.40 1ri0 s PRO 24 Ca -0.03 1.16 -0.45 0.00 0.04 0.00 0.00 61.00 61.71 1ri0 s PRO 24 Cb -0.14 -2.04 -0.19 0.00 0.04 0.00 0.00 34.50 32.17 1ri0 s PRO 24 CO 0.04 -0.78 1.79 0.72 0.04 0.00 0.00 177.00 178.80 1ri0 n HIS 25 N -2.08 1.61 -4.38 0.56 8.25 -1.26 -4.63 115.22 113.28 1ri0 n HIS 25 Ca 0.08 0.95 -0.22 0.00 -0.26 0.00 0.00 57.72 58.28 1ri0 n HIS 25 Cb 0.53 -2.28 -0.11 0.00 1.12 0.00 0.00 29.99 29.25 1ri0 n HIS 25 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 1ri0 s TRP 26 N 4.07 1.96 -0.58 4.41 -0.11 0.75 -4.58 118.94 124.85 1ri0 s TRP 26 Ca 1.09 -0.45 -0.27 0.00 1.22 0.00 0.00 56.10 57.69 1ri0 s TRP 26 Cb -1.44 -0.93 0.01 0.00 -1.50 0.00 0.00 33.47 29.61 1ri0 s TRP 26 CO 0.75 0.45 1.51 -1.25 -4.62 0.00 0.00 176.95 173.79 1ri0 s PRO 27 N -3.15 3.15 0.06 5.86 0.04 -1.26 -0.38 135.00 139.32 1ri0 s PRO 27 Ca 0.21 0.45 0.09 0.00 0.04 0.00 0.00 61.00 61.79 1ri0 s PRO 27 Cb -0.05 -4.19 -0.03 0.00 0.04 0.00 0.00 34.50 30.27 1ri0 s PRO 27 CO 0.09 -2.12 -0.24 0.00 0.04 0.00 0.00 177.00 174.76 1ri0 s ALA 28 N 6.68 2.09 0.35 8.56 0.00 -0.76 -2.09 121.76 136.59 1ri0 s ALA 28 Ca 0.55 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1ri0 s ALA 28 Cb -0.11 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 1ri0 s ALA 28 CO 0.23 0.48 0.56 0.50 0.00 0.00 0.00 175.76 177.53 1ri0 s ARG 29 N -1.39 3.47 0.27 0.00 3.52 0.17 -2.18 118.95 122.81 1ri0 s ARG 29 Ca 0.10 -0.34 -0.17 0.00 -0.13 0.00 0.00 55.73 55.20 1ri0 s ARG 29 Cb -0.10 -2.66 -0.09 0.00 -1.56 0.00 0.00 34.95 30.55 1ri0 s ARG 29 CO 0.03 0.13 0.72 -1.50 -0.81 0.00 0.00 175.30 173.87 1ri0 s ILE 30 N -2.33 4.64 -0.03 4.11 -1.16 0.59 -0.84 121.20 126.17 1ri0 s ILE 30 Ca 0.40 1.09 -0.26 0.00 -0.51 0.00 0.00 60.65 61.38 1ri0 s ILE 30 Cb -0.10 -3.73 0.05 0.00 0.61 0.00 0.00 42.46 39.30 1ri0 s ILE 30 CO 0.36 0.01 0.56 -1.81 -2.81 0.00 0.00 174.94 171.25 1ri0 s ASP 31 N -1.97 -0.50 0.16 4.50 1.01 0.16 -3.78 116.67 116.25 1ri0 s ASP 31 Ca 0.48 0.48 -0.02 0.00 0.71 0.00 0.00 52.55 54.21 1ri0 s ASP 31 Cb -0.13 0.47 -0.05 0.00 1.01 0.00 0.00 42.92 44.22 1ri0 s ASP 31 CO 0.19 -0.58 0.36 -1.61 0.21 0.00 0.00 175.17 173.74 1ri0 s GLU 32 N -1.36 3.54 -0.22 8.23 2.02 -1.26 -0.94 118.70 128.70 1ri0 s GLU 32 Ca -0.11 -0.27 -0.29 0.00 0.02 0.00 0.00 54.97 54.32 1ri0 s GLU 32 Cb -0.02 -2.87 -0.01 0.00 0.10 0.00 0.00 34.13 31.33 1ri0 s GLU 32 CO 0.07 0.46 1.30 0.00 0.02 0.00 0.00 175.26 177.11 1ri0 s MET 33 N -2.97 4.08 0.94 1.61 0.23 -1.26 -4.69 119.30 117.25 1ri0 s MET 33 Ca 0.39 1.51 -0.13 0.00 -1.03 0.00 0.00 55.69 56.42 1ri0 s MET 33 Cb -0.12 -3.83 0.16 0.00 -1.53 0.00 0.00 34.83 29.51 1ri0 s MET 33 CO 0.27 -0.90 1.15 -1.25 -2.03 0.00 0.00 175.02 172.26 1ri0 s PRO 34 N 3.83 0.90 -0.17 3.16 0.04 -1.26 -4.92 135.00 136.58 1ri0 s PRO 34 Ca 0.56 0.20 0.20 0.00 0.04 0.00 0.00 61.00 62.00 1ri0 s PRO 34 Cb -0.20 -1.82 0.41 0.00 0.04 0.00 0.00 34.50 32.94 1ri0 s PRO 34 CO 0.19 -2.34 1.19 -0.85 0.04 0.00 0.00 177.00 175.23 1ri0 n GLU 35 N -3.85 0.99 -0.02 4.56 0.28 -1.25 -3.58 120.64 117.77 1ri0 n GLU 35 Ca 0.08 -2.42 -0.03 0.00 -0.16 0.00 0.00 57.16 54.63 1ri0 n GLU 35 Cb 0.59 -0.58 -0.01 0.00 1.43 0.00 0.00 31.44 32.88 1ri0 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ri0 n ALA 36 N -0.39 0.97 0.00 -1.84 0.00 -1.26 -4.71 120.51 113.28 1ri0 n ALA 36 Ca -0.01 -0.38 -0.11 0.00 0.00 0.00 0.00 53.44 52.93 1ri0 n ALA 36 Cb 0.90 0.03 -0.06 0.00 0.00 0.00 0.00 19.45 20.32 1ri0 n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ri0 h ALA 37 N -1.22 0.10 -2.54 0.00 0.00 -2.04 -3.46 119.26 110.10 1ri0 h ALA 37 Ca 0.00 -0.05 -0.45 0.00 0.00 0.00 0.00 54.91 54.41 1ri0 h ALA 37 Cb 0.32 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 17.95 1ri0 h ALA 37 CO 0.00 -0.37 -0.52 0.14 0.00 0.00 0.00 179.25 178.50 1ri0 s VAL 38 N -5.88 0.17 -0.43 0.00 -7.23 -1.26 -5.12 120.40 100.64 1ri0 s VAL 38 Ca -0.13 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 57.89 1ri0 s VAL 38 Cb 0.06 -2.47 0.05 0.00 0.56 0.00 0.00 36.38 34.58 1ri0 s VAL 38 CO 0.68 0.00 0.33 -0.54 -0.31 0.00 0.00 175.10 175.25 1ri0 s LYS 39 N -3.65 2.93 1.20 4.82 1.02 -1.26 -3.94 119.74 120.86 1ri0 s LYS 39 Ca 0.37 -1.20 -0.18 0.00 0.02 0.00 0.00 55.97 54.97 1ri0 s LYS 39 Cb 0.03 -4.01 0.28 0.00 -0.52 0.00 0.00 37.83 33.62 1ri0 s LYS 39 CO 0.22 -0.88 1.08 -1.12 -0.92 0.00 0.00 175.35 173.73 1ri0 s SER 40 N 2.09 0.91 0.18 2.83 0.01 -1.23 -5.07 113.70 113.41 1ri0 s SER 40 Ca 0.04 0.77 0.01 0.00 1.31 0.00 0.00 55.95 58.07 1ri0 s SER 40 Cb -0.22 -1.10 0.01 0.00 0.21 0.00 0.00 66.02 64.92 1ri0 s SER 40 CO 0.08 -4.15 0.06 0.35 0.41 0.00 0.00 173.24 169.99 1ri0 n THR 41 N -4.79 0.00 -3.34 1.44 -2.24 -1.26 -5.08 114.28 99.00 1ri0 n THR 41 Ca 0.11 -0.79 -0.22 0.00 -2.27 0.00 0.00 64.05 60.88 1ri0 n THR 41 Cb 0.59 -0.05 0.05 0.00 -2.10 0.00 0.00 70.33 68.82 1ri0 n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ri0 n ALA 42 N -2.51 1.13 -4.05 6.98 0.00 -1.26 -4.67 120.51 116.13 1ri0 n ALA 42 Ca -0.07 -2.19 -0.46 0.00 0.00 0.00 0.00 53.44 50.73 1ri0 n ALA 42 Cb 0.22 0.71 0.02 0.00 0.00 0.00 0.00 19.45 20.40 1ri0 n ALA 42 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1ri0 n ASN 43 N -2.15 -4.20 -3.61 0.00 0.23 -1.26 -4.93 115.26 99.35 1ri0 n ASN 43 Ca 0.10 -1.28 -0.07 0.00 -0.53 0.00 0.00 54.58 52.80 1ri0 n ASN 43 Cb 0.62 -1.81 -0.05 0.00 -2.08 0.00 0.00 39.78 36.46 1ri0 n ASN 43 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1ri0 s LYS 44 N -7.33 0.38 0.11 -3.83 -2.85 -1.26 -5.10 119.74 99.86 1ri0 s LYS 44 Ca 0.49 0.17 0.07 0.00 -1.00 0.00 0.00 55.97 55.70 1ri0 s LYS 44 Cb -0.26 0.18 -0.04 0.00 -2.06 0.00 0.00 37.83 35.65 1ri0 s LYS 44 CO 0.96 -0.10 -0.17 0.71 0.10 0.00 0.00 175.35 176.86 1ri0 s TYR 45 N -0.74 1.53 -0.12 1.78 1.51 -0.13 -4.82 117.35 116.37 1ri0 s TYR 45 Ca 0.03 -0.48 -0.17 0.00 -1.01 0.00 0.00 57.07 55.44 1ri0 s TYR 45 Cb -0.02 -0.82 -0.04 0.00 -0.11 0.00 0.00 41.96 40.97 1ri0 s TYR 45 CO -0.04 0.17 0.43 -1.14 -1.11 0.00 0.00 175.55 173.85 1ri0 s GLN 46 N -2.26 4.30 -0.01 -0.62 0.74 -0.12 0.09 119.66 121.77 1ri0 s GLN 46 Ca 0.07 0.36 0.06 0.00 0.05 0.00 0.00 55.36 55.89 1ri0 s GLN 46 Cb -0.08 -3.42 -0.01 0.00 1.10 0.00 0.00 33.01 30.60 1ri0 s GLN 46 CO 0.04 0.21 -0.18 0.08 -0.55 0.00 0.00 175.29 174.88 1ri0 s VAL 47 N 0.49 1.46 -0.29 1.34 1.01 -0.32 0.41 120.40 124.49 1ri0 s VAL 47 Ca 0.23 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 1ri0 s VAL 47 Cb -0.15 -1.21 0.05 0.00 0.00 0.00 0.00 36.38 35.07 1ri0 s VAL 47 CO 0.09 0.41 -0.02 -0.36 0.00 0.00 0.00 175.10 175.22 1ri0 s PHE 48 N -0.43 3.28 -0.10 5.22 0.40 -0.02 -0.27 117.98 126.07 1ri0 s PHE 48 Ca 0.07 -1.99 -0.28 0.00 -0.60 0.00 0.00 56.93 54.13 1ri0 s PHE 48 Cb -0.07 -2.10 -0.02 0.00 0.51 0.00 0.00 43.02 41.34 1ri0 s PHE 48 CO -0.01 -0.82 0.95 -0.06 0.70 0.00 0.00 175.22 175.98 1ri0 s PHE 49 N 1.22 3.52 -0.08 0.36 0.40 0.14 0.44 117.98 123.98 1ri0 s PHE 49 Ca -0.06 1.53 -0.07 0.00 -0.60 0.00 0.00 56.93 57.73 1ri0 s PHE 49 Cb -0.20 -3.12 -0.05 0.00 0.51 0.00 0.00 43.02 40.16 1ri0 s PHE 49 CO -0.02 -0.17 0.28 0.74 0.70 0.00 0.00 175.22 176.75 1ri0 h PHE 50 N 7.07 -0.16 -0.92 0.36 0.04 -1.70 0.56 116.94 122.18 1ri0 h PHE 50 Ca -0.33 -0.00 0.12 0.00 2.80 0.00 0.00 57.97 60.56 1ri0 h PHE 50 Cb 1.16 0.05 -0.13 0.00 2.20 0.00 0.00 35.95 39.23 1ri0 h PHE 50 CO 0.70 -0.02 -0.44 0.41 -0.60 0.00 0.00 178.31 178.37 1ri0 n GLY 51 N 1.29 -2.11 0.07 -1.45 0.00 -1.26 0.04 105.19 101.78 1ri0 n GLY 51 Ca -0.03 1.06 -0.09 0.00 0.00 0.00 0.00 46.02 46.96 1ri0 n GLY 51 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ri0 h THR 52 N 0.00 1.54 -2.18 2.61 1.35 -1.87 -3.45 112.91 110.90 1ri0 h THR 52 Ca 0.25 -3.24 -0.11 0.00 -0.55 0.00 0.00 66.41 62.76 1ri0 h THR 52 Cb 0.48 2.81 0.03 0.00 -1.73 0.00 0.00 68.15 69.74 1ri0 h THR 52 CO -0.89 0.90 -0.18 1.57 -0.25 0.00 0.00 175.52 176.66 1ri0 n HIS 53 N -3.35 -0.74 -4.10 4.73 -0.00 0.18 -5.05 115.22 106.90 1ri0 n HIS 53 Ca -0.05 0.25 -0.11 0.00 0.46 0.00 0.00 57.72 58.27 1ri0 n HIS 53 Cb 0.97 -2.07 -0.11 0.00 -0.12 0.00 0.00 29.99 28.67 1ri0 n HIS 53 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 1ri0 s GLU 54 N -5.26 0.63 0.16 1.57 2.02 -0.33 -4.94 118.70 112.55 1ri0 s GLU 54 Ca 0.15 -1.01 -0.03 0.00 0.02 0.00 0.00 54.97 54.10 1ri0 s GLU 54 Cb -0.06 -0.17 -0.05 0.00 0.10 0.00 0.00 34.13 33.95 1ri0 s GLU 54 CO 0.18 -0.00 0.37 0.99 0.02 0.00 0.00 175.26 176.82 1ri0 s THR 55 N -2.50 5.19 -0.02 3.63 2.01 -1.26 0.27 115.64 122.96 1ri0 s THR 55 Ca -0.01 -0.13 -0.21 0.00 0.31 0.00 0.00 61.69 61.65 1ri0 s THR 55 Cb -0.02 -3.66 0.04 0.00 0.01 0.00 0.00 72.50 68.86 1ri0 s THR 55 CO -0.03 -0.04 0.45 0.00 -0.69 0.00 0.00 174.62 174.32 1ri0 s ALA 56 N -1.73 -1.16 -0.45 7.40 0.00 0.63 -4.94 121.76 121.51 1ri0 s ALA 56 Ca 0.40 0.69 -0.29 0.00 0.00 0.00 0.00 51.96 52.76 1ri0 s ALA 56 Cb -0.12 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.09 1ri0 s ALA 56 CO 0.27 -0.32 1.33 -0.06 0.00 0.00 0.00 175.76 176.98 1ri0 s PHE 57 N -1.38 2.51 0.30 0.00 0.08 -1.26 -1.17 117.98 117.07 1ri0 s PHE 57 Ca -0.12 0.66 0.04 0.00 0.12 0.00 0.00 56.93 57.63 1ri0 s PHE 57 Cb -0.03 -4.37 -0.03 0.00 -0.57 0.00 0.00 43.02 38.03 1ri0 s PHE 57 CO 0.06 -1.77 0.28 -0.51 -0.10 0.00 0.00 175.22 173.19 1ri0 s LEU 58 N 5.20 1.48 0.00 -0.37 1.02 0.11 -4.92 118.68 121.20 1ri0 s LEU 58 Ca 0.56 -1.62 0.00 0.00 0.02 0.00 0.00 54.13 53.09 1ri0 s LEU 58 Cb -0.11 0.69 0.00 0.00 0.02 0.00 0.00 46.19 46.79 1ri0 s LEU 58 CO 0.32 -1.06 0.00 0.61 0.02 0.00 0.00 176.35 176.24 1ri0 n GLY 59 N -0.53 5.12 0.18 -3.19 0.00 -1.26 -0.95 105.19 104.55 1ri0 n GLY 59 Ca 0.05 -1.25 0.05 0.00 0.00 0.00 0.00 46.02 44.87 1ri0 n GLY 59 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ri0 h PRO 60 N 0.00 0.00 0.00 1.61 0.13 -1.98 -1.87 132.00 129.89 1ri0 h PRO 60 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 1ri0 h PRO 60 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1ri0 h PRO 60 CO 0.00 0.39 -0.50 0.87 -0.23 0.00 0.00 178.00 178.53 1ri0 h LYS 61 N 0.00 0.00 -0.02 0.86 1.79 -2.01 -2.33 116.57 114.86 1ri0 h LYS 61 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1ri0 h LYS 61 Cb 1.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 1ri0 h LYS 61 CO 0.05 0.50 -0.19 -0.25 -1.08 0.00 0.00 179.45 178.48 1ri0 n ASP 62 N -3.78 2.11 -4.41 0.86 9.92 -1.10 -4.88 116.55 115.27 1ri0 n ASP 62 Ca -0.01 -1.58 -0.31 0.00 -0.53 0.00 0.00 54.79 52.36 1ri0 n ASP 62 Cb 0.54 0.17 -0.14 0.00 -0.64 0.00 0.00 41.12 41.06 1ri0 n ASP 62 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1ri0 s LEU 63 N -2.23 2.42 0.02 0.64 1.43 -0.72 -1.69 118.68 118.55 1ri0 s LEU 63 Ca 0.26 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 1ri0 s LEU 63 Cb 0.19 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.97 1ri0 s LEU 63 CO 0.43 0.28 -0.07 0.12 0.23 0.00 0.00 176.35 177.33 1ri0 s PHE 64 N -0.83 0.59 0.83 0.29 5.36 0.13 -4.76 117.98 119.59 1ri0 s PHE 64 Ca 0.13 -0.32 -0.12 0.00 -0.96 0.00 0.00 56.93 55.66 1ri0 s PHE 64 Cb -0.10 -0.36 0.09 0.00 -0.34 0.00 0.00 43.02 42.30 1ri0 s PHE 64 CO 0.03 -0.05 1.11 -1.25 -1.46 0.00 0.00 175.22 173.60 1ri0 s PRO 65 N -0.96 1.83 0.04 10.12 0.04 -1.26 -2.10 135.00 142.71 1ri0 s PRO 65 Ca -0.05 0.55 -0.04 0.00 0.04 0.00 0.00 61.00 61.50 1ri0 s PRO 65 Cb -0.07 -1.90 -0.28 0.00 0.04 0.00 0.00 34.50 32.29 1ri0 s PRO 65 CO 0.00 -1.77 1.02 -0.92 0.04 0.00 0.00 177.00 175.37 1ri0 h TYR 66 N -1.20 0.50 -0.12 0.56 3.20 -1.95 -2.53 116.97 115.44 1ri0 h TYR 66 Ca -0.48 -0.36 0.03 0.00 3.14 0.00 0.00 58.73 61.06 1ri0 h TYR 66 Cb 1.29 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.51 1ri0 h TYR 66 CO 0.42 1.33 -0.06 0.93 -1.64 0.00 0.00 178.16 179.14 1ri0 h GLU 67 N 0.07 -0.05 -0.10 1.82 5.08 -1.94 1.76 114.58 121.22 1ri0 h GLU 67 Ca -0.18 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1ri0 h GLU 67 Cb 2.00 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.26 1ri0 h GLU 67 CO 0.19 -0.04 -0.07 0.93 -1.00 0.00 0.00 179.01 179.02 1ri0 h GLU 68 N -0.06 0.23 0.09 2.33 5.08 -1.98 0.40 114.58 120.68 1ri0 h GLU 68 Ca 0.07 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1ri0 h GLU 68 Cb 0.16 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1ri0 h GLU 68 CO -0.15 0.61 -0.08 0.66 -1.00 0.00 0.00 179.01 179.05 1ri0 h SER 69 N -0.15 -0.20 0.55 1.42 4.64 -1.21 -0.01 113.55 118.60 1ri0 h SER 69 Ca 0.02 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1ri0 h SER 69 Cb 0.55 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1ri0 h SER 69 CO 0.02 -0.12 0.00 2.29 -0.87 0.00 0.00 176.83 178.15 1ri0 n LYS 70 N -5.19 0.15 0.01 4.77 -0.00 0.60 -0.14 118.16 118.36 1ri0 n LYS 70 Ca -0.07 0.43 -0.13 0.00 -0.00 0.00 0.00 58.31 58.54 1ri0 n LYS 70 Cb 0.12 -1.81 -0.09 0.00 -0.00 0.00 0.00 35.03 33.24 1ri0 n LYS 70 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1ri0 h GLU 71 N 0.00 -0.06 0.00 -1.58 4.22 0.11 -3.42 114.58 113.85 1ri0 h GLU 71 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1ri0 h GLU 71 Cb 0.27 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1ri0 h GLU 71 CO 0.00 0.39 -0.22 1.17 -2.18 0.00 0.00 179.01 178.17 1ri0 n LYS 72 N -4.90 0.12 0.00 1.92 3.00 -0.95 -5.07 118.16 112.28 1ri0 n LYS 72 Ca -0.08 0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1ri0 n LYS 72 Cb 0.25 -0.68 0.00 0.00 0.00 0.00 0.00 35.03 34.60 1ri0 n LYS 72 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1ri0 n PHE 73 N -2.94 0.00 -1.00 5.64 3.72 0.81 -5.00 117.46 118.69 1ri0 n PHE 73 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1ri0 n PHE 73 Cb 0.11 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 1ri0 n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ri0 n GLY 74 N 1.98 0.28 3.09 1.37 0.00 -0.05 -3.91 105.19 107.95 1ri0 n GLY 74 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1ri0 n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ri0 s LYS 75 N -0.87 2.20 1.01 1.61 1.02 -1.26 -4.85 119.74 118.60 1ri0 s LYS 75 Ca 0.00 -2.19 -0.16 0.00 0.02 0.00 0.00 55.97 53.65 1ri0 s LYS 75 Cb 0.00 -3.60 0.20 0.00 -0.52 0.00 0.00 37.83 33.91 1ri0 s LYS 75 CO 0.00 -1.11 1.19 -1.25 -0.92 0.00 0.00 175.35 173.26 1ri0 s PRO 76 N 0.51 0.27 0.22 -1.68 0.04 -1.26 -4.94 135.00 128.16 1ri0 s PRO 76 Ca 0.13 -0.05 -0.31 0.00 0.04 0.00 0.00 61.00 60.81 1ri0 s PRO 76 Cb -0.22 -1.77 -0.15 0.00 0.04 0.00 0.00 34.50 32.40 1ri0 s PRO 76 CO -0.04 -2.72 1.11 0.09 0.04 0.00 0.00 177.00 175.48 1ri0 n ASN 77 N -4.06 1.34 -4.44 6.66 3.02 -1.26 -4.86 115.26 111.66 1ri0 n ASN 77 Ca 0.11 1.15 -0.44 0.00 -0.03 0.00 0.00 54.58 55.38 1ri0 n ASN 77 Cb 0.59 -1.25 -0.03 0.00 -0.61 0.00 0.00 39.78 38.49 1ri0 n ASN 77 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1ri0 s LYS 78 N -0.79 3.52 0.33 3.52 2.47 -1.26 -4.87 119.74 122.66 1ri0 s LYS 78 Ca 0.68 -1.71 0.05 0.00 -1.56 0.00 0.00 55.97 53.43 1ri0 s LYS 78 Cb -0.79 -4.78 0.05 0.00 -1.46 0.00 0.00 37.83 30.85 1ri0 s LYS 78 CO 0.55 -1.73 0.44 0.54 0.16 0.00 0.00 175.35 175.31 1ri0 n ARG 79 N 6.44 0.79 -0.11 4.03 5.12 -1.26 -4.96 116.66 126.71 1ri0 n ARG 79 Ca 0.19 -1.77 -0.12 0.00 -1.93 0.00 0.00 57.85 54.22 1ri0 n ARG 79 Cb 0.48 -0.12 -0.03 0.00 -1.16 0.00 0.00 32.46 31.63 1ri0 n ARG 79 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1ri0 h LYS 80 N 0.00 0.67 0.00 5.56 3.11 -2.01 -2.30 116.57 121.60 1ri0 h LYS 80 Ca -0.15 -0.28 0.00 0.00 -2.81 0.00 0.00 60.65 57.41 1ri0 h LYS 80 Cb 0.70 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.91 1ri0 h LYS 80 CO 0.22 0.86 0.00 0.41 -2.81 0.00 0.00 179.45 178.13 1ri0 n GLY 81 N -0.10 -1.22 0.10 5.01 0.00 -1.26 -2.59 105.19 105.13 1ri0 n GLY 81 Ca -0.03 -0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 1ri0 n GLY 81 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ri0 h PHE 82 N 0.00 0.32 0.37 1.61 3.04 -1.76 -0.29 116.94 120.23 1ri0 h PHE 82 Ca 0.00 -0.24 -0.02 0.00 3.98 0.00 0.00 57.97 61.70 1ri0 h PHE 82 Cb 0.37 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.87 1ri0 h PHE 82 CO 0.00 1.26 -0.18 1.03 -2.02 0.00 0.00 178.31 178.40 1ri0 h SER 83 N -0.60 -0.43 0.64 0.41 0.87 -1.38 0.13 113.55 113.19 1ri0 h SER 83 Ca -0.13 -0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.23 1ri0 h SER 83 Cb 1.44 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.50 1ri0 h SER 83 CO 0.07 -0.08 -0.29 1.05 -0.53 0.00 0.00 176.83 177.05 1ri0 h GLU 84 N -0.81 0.00 0.37 2.24 4.11 -1.67 -2.06 114.58 116.76 1ri0 h GLU 84 Ca -0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.36 1ri0 h GLU 84 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1ri0 h GLU 84 CO 0.08 0.29 -0.18 0.78 0.07 0.00 0.00 179.01 180.06 1ri0 h GLY 85 N 1.57 -0.52 1.69 1.06 0.00 -0.92 0.58 103.07 106.53 1ri0 h GLY 85 Ca -0.00 0.19 0.04 0.00 0.00 0.00 0.00 47.33 47.56 1ri0 h GLY 85 CO 0.04 -0.19 0.12 -2.00 0.00 0.00 0.00 176.54 174.51 1ri0 h LEU 86 N -0.99 0.05 0.00 3.11 7.12 -0.73 0.57 115.31 124.44 1ri0 h LEU 86 Ca -0.05 -0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.94 1ri0 h LEU 86 Cb 0.52 -0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 40.64 1ri0 h LEU 86 CO 0.08 0.03 -0.38 -0.25 -0.13 0.00 0.00 178.44 177.79 1ri0 h TRP 87 N 0.06 0.00 0.00 1.25 2.91 -1.31 -0.76 115.95 118.09 1ri0 h TRP 87 Ca 0.08 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 60.04 1ri0 h TRP 87 Cb 0.25 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.89 1ri0 h TRP 87 CO -0.00 0.09 -0.28 0.93 -1.03 0.00 0.00 178.44 178.15 1ri0 h GLU 88 N 0.00 0.00 0.01 2.65 5.08 0.56 0.98 114.58 123.86 1ri0 h GLU 88 Ca -0.01 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.94 1ri0 h GLU 88 Cb 1.08 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.27 1ri0 h GLU 88 CO 0.01 0.28 -2.36 1.51 -1.00 0.00 0.00 179.01 177.45 1ri0 n ILE 89 N -3.36 1.54 0.13 3.13 0.00 -0.62 -2.86 119.36 117.32 1ri0 n ILE 89 Ca 0.01 -0.45 -0.00 0.00 0.00 0.00 0.00 62.75 62.30 1ri0 n ILE 89 Cb 0.50 -1.70 0.14 0.00 0.00 0.00 0.00 39.64 38.58 1ri0 n ILE 89 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1ri0 h GLU 90 N -0.50 0.00 -2.08 9.51 4.39 -1.20 -3.33 114.58 121.38 1ri0 h GLU 90 Ca -0.60 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 58.58 1ri0 h GLU 90 Cb 1.74 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 29.99 1ri0 h GLU 90 CO -0.23 0.63 -1.04 0.09 -1.16 0.00 0.00 179.01 177.30 1ri0 n ASN 91 N -3.59 1.76 -4.76 1.42 3.02 0.34 -5.03 115.26 108.42 1ri0 n ASN 91 Ca -0.00 -3.16 -0.38 0.00 -0.03 0.00 0.00 54.58 51.01 1ri0 n ASN 91 Cb 0.67 -0.61 0.03 0.00 -0.61 0.00 0.00 39.78 39.25 1ri0 n ASN 91 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ri0 s ASN 92 N -2.57 5.50 0.18 6.41 2.20 -1.13 -4.40 114.94 121.13 1ri0 s ASN 92 Ca 0.42 2.61 0.03 0.00 -0.94 0.00 0.00 52.86 54.99 1ri0 s ASN 92 Cb 0.31 -2.62 0.06 0.00 -2.00 0.00 0.00 41.25 37.00 1ri0 s ASN 92 CO -0.09 -1.40 1.43 1.55 -2.94 0.00 0.00 177.10 175.64 1ri0 h PRO 93 N 1.57 0.19 -3.38 3.55 0.13 -1.90 -3.39 132.00 128.78 1ri0 h PRO 93 Ca -0.50 -0.19 -0.62 0.00 -0.87 0.00 0.00 66.00 63.82 1ri0 h PRO 93 Cb 1.29 0.05 -0.40 0.00 0.13 0.00 0.00 31.00 32.06 1ri0 h PRO 93 CO 0.58 0.89 -0.72 -0.08 -0.23 0.00 0.00 178.00 178.45 1ri0 s THR 94 N -3.34 1.67 0.36 1.56 -1.32 -1.26 -5.11 115.64 108.20 1ri0 s THR 94 Ca -0.03 -2.49 -0.06 0.00 -1.21 0.00 0.00 61.69 57.90 1ri0 s THR 94 Cb 0.11 -2.19 0.08 0.00 -1.51 0.00 0.00 72.50 68.99 1ri0 s THR 94 CO 0.82 -0.80 0.49 0.55 -2.21 0.00 0.00 174.62 173.46 1ri0 n VAL 95 N 3.76 0.00 0.00 5.08 3.14 -1.26 -4.98 118.33 124.07 1ri0 n VAL 95 Ca 0.05 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 61.04 1ri0 n VAL 95 Cb 0.36 -1.75 0.00 0.00 -1.06 0.00 0.00 33.84 31.40 1ri0 n VAL 95 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1ri0 n LYS 96 N -2.02 0.00 -1.71 1.45 2.85 -1.26 -5.11 118.16 112.36 1ri0 n LYS 96 Ca 0.06 0.00 -0.60 0.00 -1.05 0.00 0.00 58.31 56.72 1ri0 n LYS 96 Cb 0.22 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.52 1ri0 n LYS 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ri0 n ALA 97 N 0.00 -0.69 -1.40 0.58 0.00 -1.26 -4.75 120.51 112.99 1ri0 n ALA 97 Ca 0.00 0.43 -0.47 0.00 0.00 0.00 0.00 53.44 53.40 1ri0 n ALA 97 Cb 0.00 -2.11 -0.03 0.00 0.00 0.00 0.00 19.45 17.31 1ri0 n ALA 97 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ri0 n SER 98 N 4.70 -1.27 0.00 0.00 3.41 -1.26 -3.80 113.62 115.40 1ri0 n SER 98 Ca 0.27 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.97 1ri0 n SER 98 Cb 0.07 -0.97 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 1ri0 n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ri0 n GLY 99 N 1.99 2.01 1.86 5.00 0.00 -1.26 -5.28 105.19 109.50 1ri0 n GLY 99 Ca 0.17 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1ri0 n GLY 99 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30