#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 0.46 6.12 0.15 -1.26 -4.56 113.70 114.60 1ri0 s SER 2 Ca 0.00 0.02 -0.19 0.00 0.70 0.00 0.00 55.95 56.48 1ri0 s SER 2 Cb 0.00 0.02 -0.15 0.00 -1.71 0.00 0.00 66.02 64.18 1ri0 s SER 2 CO 0.00 -0.00 -0.04 -2.11 1.20 0.00 0.00 173.24 172.29 1ri0 n ARG 3 N 1.46 0.01 -4.69 5.44 1.85 -1.26 -4.94 116.66 114.52 1ri0 n ARG 3 Ca -0.09 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.43 1ri0 n ARG 3 Cb 0.57 -1.01 -0.14 0.00 -1.05 0.00 0.00 32.46 30.83 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 -1.00 4.01 0.61 2.89 0.01 -1.26 -5.10 113.70 113.85 1ri0 s SER 4 Ca 0.58 -0.34 -0.18 0.00 1.31 0.00 0.00 55.95 57.32 1ri0 s SER 4 Cb -0.55 -1.62 -0.03 0.00 0.21 0.00 0.00 66.02 64.03 1ri0 s SER 4 CO 0.65 0.15 1.15 0.54 0.41 0.00 0.00 173.24 176.13 1ri0 s ASN 5 N 0.46 5.28 1.21 2.44 4.22 -1.26 -4.81 114.94 122.49 1ri0 s ASN 5 Ca -0.09 2.19 -0.18 0.00 -2.14 0.00 0.00 52.86 52.64 1ri0 s ASN 5 Cb -0.16 -2.58 0.26 0.00 1.28 0.00 0.00 41.25 40.06 1ri0 s ASN 5 CO 0.04 -1.52 0.95 -2.11 -2.04 0.00 0.00 177.10 172.43 1ri0 n ARG 6 N -1.82 -2.84 0.00 3.55 0.00 -1.26 -5.06 116.66 109.22 1ri0 n ARG 6 Ca 0.12 -1.52 0.00 0.00 -0.00 0.00 0.00 57.85 56.45 1ri0 n ARG 6 Cb 0.51 -1.42 0.00 0.00 -0.00 0.00 0.00 32.46 31.55 1ri0 n ARG 6 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1ri0 n GLN 7 N -4.39 0.00 -0.01 2.89 3.00 -1.26 -4.95 117.38 112.66 1ri0 n GLN 7 Ca 0.13 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 57.12 1ri0 n GLN 7 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.71 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 -1.01 2.06 -5.15 -1.09 2.85 -1.26 -5.01 118.16 109.55 1ri0 n LYS 8 Ca 0.00 -0.02 -0.31 0.00 -1.05 0.00 0.00 58.31 56.93 1ri0 n LYS 8 Cb 0.00 -1.12 -0.15 0.00 -0.65 0.00 0.00 35.03 33.11 1ri0 n LYS 8 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 1ri0 s GLU 9 N -2.20 2.00 0.40 -1.58 -1.05 -1.26 -5.11 118.70 109.91 1ri0 s GLU 9 Ca -0.02 -0.99 -0.26 0.00 -0.15 0.00 0.00 54.97 53.55 1ri0 s GLU 9 Cb 0.02 -2.03 -0.09 0.00 -0.44 0.00 0.00 34.13 31.60 1ri0 s GLU 9 CO 0.19 0.54 1.29 1.52 0.95 0.00 0.00 175.26 179.75 1ri0 s TYR 10 N -0.69 2.85 0.32 4.83 1.13 -1.26 -4.79 117.35 119.74 1ri0 s TYR 10 Ca 0.11 1.43 -0.07 0.00 -1.41 0.00 0.00 57.07 57.13 1ri0 s TYR 10 Cb -0.10 -3.63 0.01 0.00 -1.10 0.00 0.00 41.96 37.13 1ri0 s TYR 10 CO 0.00 -1.99 0.52 -1.59 -2.51 0.00 0.00 175.55 169.98 1ri0 s LYS 11 N -2.24 1.86 0.32 -3.49 -2.85 -1.26 -5.07 119.74 107.01 1ri0 s LYS 11 Ca 0.57 -1.58 -0.25 0.00 -1.00 0.00 0.00 55.97 53.71 1ri0 s LYS 11 Cb -0.37 0.48 -0.15 0.00 -2.06 0.00 0.00 37.83 35.72 1ri0 s LYS 11 CO 0.48 -0.79 0.46 0.00 0.10 0.00 0.00 175.35 175.60 1ri0 n GLY 13 N 1.95 1.08 3.71 0.00 0.00 -1.24 -4.94 105.19 105.76 1ri0 n GLY 13 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.05 7.01 -0.21 1.61 2.15 0.05 -4.82 116.67 119.41 1ri0 s ASP 14 Ca 0.00 1.21 -0.08 0.00 0.43 0.00 0.00 52.55 54.11 1ri0 s ASP 14 Cb 0.00 -2.42 -0.04 0.00 -0.30 0.00 0.00 42.92 40.16 1ri0 s ASP 14 CO 0.00 -0.14 0.09 -0.22 -0.17 0.00 0.00 175.17 174.73 1ri0 s LEU 15 N 0.88 3.86 0.34 -1.34 1.98 -1.26 -0.50 118.68 122.63 1ri0 s LEU 15 Ca 0.38 0.06 0.00 0.00 -2.89 0.00 0.00 54.13 51.69 1ri0 s LEU 15 Cb -0.18 -2.00 -0.01 0.00 0.66 0.00 0.00 46.19 44.66 1ri0 s LEU 15 CO 0.18 0.12 0.41 0.68 -1.89 0.00 0.00 176.35 175.86 1ri0 s VAL 16 N 0.70 0.00 -0.35 1.68 -7.23 -0.92 -4.93 120.40 109.35 1ri0 s VAL 16 Ca 0.05 -1.72 -0.19 0.00 -1.81 0.00 0.00 61.98 58.31 1ri0 s VAL 16 Cb -0.13 -2.60 -0.00 0.00 0.56 0.00 0.00 36.38 34.21 1ri0 s VAL 16 CO 0.02 0.00 0.57 -0.36 -0.31 0.00 0.00 175.10 175.02 1ri0 s PHE 17 N -3.17 3.17 -0.14 2.82 0.08 -0.92 -1.77 117.98 118.04 1ri0 s PHE 17 Ca 0.34 0.26 -0.02 0.00 0.12 0.00 0.00 56.93 57.62 1ri0 s PHE 17 Cb 0.00 -3.03 -0.02 0.00 -0.57 0.00 0.00 43.02 39.40 1ri0 s PHE 17 CO 0.22 -0.58 -0.07 0.00 -0.10 0.00 0.00 175.22 174.69 1ri0 s ALA 18 N 2.54 2.85 0.16 5.36 0.00 0.14 -1.02 121.76 131.81 1ri0 s ALA 18 Ca 0.21 -0.84 0.07 0.00 0.00 0.00 0.00 51.96 51.40 1ri0 s ALA 18 Cb -0.15 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 1ri0 s ALA 18 CO 0.14 0.23 -0.03 -1.59 0.00 0.00 0.00 175.76 174.52 1ri0 s LYS 19 N 0.35 2.32 0.19 0.00 0.00 -0.75 -0.08 119.74 121.77 1ri0 s LYS 19 Ca -0.07 -1.12 0.05 0.00 0.00 0.00 0.00 55.97 54.83 1ri0 s LYS 19 Cb -0.15 -2.32 -0.05 0.00 0.00 0.00 0.00 37.83 35.31 1ri0 s LYS 19 CO 0.04 0.46 -0.07 1.41 0.00 0.00 0.00 175.35 177.19 1ri0 s MET 20 N -2.82 1.21 -0.05 1.78 1.75 -0.92 -4.83 119.30 115.42 1ri0 s MET 20 Ca 0.26 -1.56 -0.31 0.00 -1.25 0.00 0.00 55.69 52.83 1ri0 s MET 20 Cb -0.09 -0.71 -0.10 0.00 2.84 0.00 0.00 34.83 36.77 1ri0 s MET 20 CO 0.17 0.03 1.98 1.63 -0.65 0.00 0.00 175.02 178.18 1ri0 n LYS 21 N -0.31 2.48 0.00 4.11 4.76 -1.26 0.40 118.16 128.34 1ri0 n LYS 21 Ca -0.08 0.89 0.00 0.00 -2.87 0.00 0.00 58.31 56.25 1ri0 n LYS 21 Cb 0.62 -2.89 0.00 0.00 -1.84 0.00 0.00 35.03 30.91 1ri0 n LYS 21 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ri0 n GLY 22 N 4.70 2.60 3.49 0.72 0.00 -1.26 -5.00 105.19 110.45 1ri0 n GLY 22 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.24 2.91 0.60 1.61 5.04 0.16 -5.11 117.35 120.32 1ri0 s TYR 23 Ca 0.00 -0.26 -0.15 0.00 -2.44 0.00 0.00 57.07 54.22 1ri0 s TYR 23 Cb 0.00 -1.81 -0.04 0.00 0.35 0.00 0.00 41.96 40.46 1ri0 s TYR 23 CO 0.00 0.07 1.05 -1.25 -1.34 0.00 0.00 175.55 174.08 1ri0 s PRO 24 N -0.15 3.34 -0.45 4.97 0.04 -1.26 -2.16 135.00 139.33 1ri0 s PRO 24 Ca 0.01 1.14 -0.42 0.00 0.04 0.00 0.00 61.00 61.78 1ri0 s PRO 24 Cb -0.13 -2.04 -0.17 0.00 0.04 0.00 0.00 34.50 32.20 1ri0 s PRO 24 CO 0.03 -0.79 2.07 0.72 0.04 0.00 0.00 177.00 179.07 1ri0 n HIS 25 N -2.12 1.39 -4.29 0.56 8.25 -1.26 -4.54 115.22 113.20 1ri0 n HIS 25 Ca 0.08 0.68 -0.24 0.00 -0.26 0.00 0.00 57.72 57.98 1ri0 n HIS 25 Cb 0.53 -2.35 -0.08 0.00 1.12 0.00 0.00 29.99 29.21 1ri0 n HIS 25 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1ri0 s TRP 26 N 5.81 2.69 -0.60 4.41 0.23 0.89 -4.62 118.94 127.75 1ri0 s TRP 26 Ca 1.15 -0.21 -0.27 0.00 -2.03 0.00 0.00 56.10 54.73 1ri0 s TRP 26 Cb -1.33 -1.24 0.01 0.00 0.03 0.00 0.00 33.47 30.94 1ri0 s TRP 26 CO 0.64 0.58 1.53 -1.25 0.96 0.00 0.00 176.95 179.41 1ri0 s PRO 27 N -3.35 3.10 0.07 4.98 0.04 -1.26 0.28 135.00 138.86 1ri0 s PRO 27 Ca 0.29 0.40 0.07 0.00 0.04 0.00 0.00 61.00 61.80 1ri0 s PRO 27 Cb -0.07 -4.21 -0.03 0.00 0.04 0.00 0.00 34.50 30.23 1ri0 s PRO 27 CO 0.18 -2.19 -0.20 0.00 0.04 0.00 0.00 177.00 174.83 1ri0 s ALA 28 N 6.85 1.71 0.35 8.56 0.00 -0.73 -1.97 121.76 136.52 1ri0 s ALA 28 Ca 0.54 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 51.37 1ri0 s ALA 28 Cb -0.11 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 1ri0 s ALA 28 CO 0.22 0.35 0.54 0.50 0.00 0.00 0.00 175.76 177.38 1ri0 s ARG 29 N -1.58 3.47 0.18 0.00 3.52 0.20 -2.16 118.95 122.59 1ri0 s ARG 29 Ca 0.06 -0.36 -0.17 0.00 -0.13 0.00 0.00 55.73 55.13 1ri0 s ARG 29 Cb -0.09 -2.67 -0.08 0.00 -1.56 0.00 0.00 34.95 30.55 1ri0 s ARG 29 CO 0.03 0.15 0.64 -1.50 -0.81 0.00 0.00 175.30 173.81 1ri0 s ILE 30 N -2.31 4.70 -0.03 4.11 -1.16 0.34 -1.04 121.20 125.81 1ri0 s ILE 30 Ca 0.40 1.07 -0.22 0.00 -0.51 0.00 0.00 60.65 61.39 1ri0 s ILE 30 Cb -0.10 -3.80 0.04 0.00 0.61 0.00 0.00 42.46 39.22 1ri0 s ILE 30 CO 0.36 0.23 0.47 -1.81 -2.81 0.00 0.00 174.94 171.38 1ri0 s ASP 31 N -1.67 -0.40 0.16 4.50 1.11 0.15 -3.64 116.67 116.89 1ri0 s ASP 31 Ca 0.40 0.36 -0.10 0.00 0.18 0.00 0.00 52.55 53.40 1ri0 s ASP 31 Cb -0.16 0.41 -0.07 0.00 1.07 0.00 0.00 42.92 44.18 1ri0 s ASP 31 CO 0.20 -0.52 0.48 -1.61 1.18 0.00 0.00 175.17 174.91 1ri0 s GLU 32 N -1.27 3.79 -0.31 8.23 2.02 -1.26 -0.86 118.70 129.05 1ri0 s GLU 32 Ca -0.12 0.23 -0.29 0.00 0.02 0.00 0.00 54.97 54.80 1ri0 s GLU 32 Cb -0.03 -2.81 -0.00 0.00 0.10 0.00 0.00 34.13 31.38 1ri0 s GLU 32 CO 0.07 0.43 1.42 0.00 0.02 0.00 0.00 175.26 177.19 1ri0 s MET 33 N -2.43 3.78 1.01 1.61 0.23 -1.26 -4.66 119.30 117.59 1ri0 s MET 33 Ca 0.41 1.27 -0.15 0.00 -1.03 0.00 0.00 55.69 56.19 1ri0 s MET 33 Cb -0.13 -3.96 0.20 0.00 -1.53 0.00 0.00 34.83 29.41 1ri0 s MET 33 CO 0.21 -1.30 1.19 -1.25 -2.03 0.00 0.00 175.02 171.83 1ri0 s PRO 34 N 4.53 0.28 -0.29 3.16 0.04 -1.26 -4.92 135.00 136.54 1ri0 s PRO 34 Ca 0.62 -0.03 0.20 0.00 0.04 0.00 0.00 61.00 61.83 1ri0 s PRO 34 Cb -0.18 -1.77 0.48 0.00 0.04 0.00 0.00 34.50 33.07 1ri0 s PRO 34 CO 0.27 -2.72 1.18 -0.85 0.04 0.00 0.00 177.00 174.92 1ri0 n GLU 35 N -4.07 1.55 0.00 4.56 0.28 -1.26 -3.70 120.64 118.01 1ri0 n GLU 35 Ca 0.11 -2.97 0.00 0.00 -0.16 0.00 0.00 57.16 54.14 1ri0 n GLU 35 Cb 0.59 -1.11 0.00 0.00 1.43 0.00 0.00 31.44 32.35 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 -0.70 0.92 -0.09 -1.84 0.00 -1.26 -4.72 120.51 112.81 1ri0 n ALA 36 Ca 0.02 -0.17 -0.07 0.00 0.00 0.00 0.00 53.44 53.22 1ri0 n ALA 36 Cb 0.82 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.28 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 -1.39 0.37 -2.63 0.00 0.00 -2.05 -3.45 119.26 110.12 1ri0 h ALA 37 Ca 0.00 0.04 -0.44 0.00 0.00 0.00 0.00 54.91 54.51 1ri0 h ALA 37 Cb 0.00 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 17.68 1ri0 h ALA 37 CO 0.00 -0.29 -0.52 0.14 0.00 0.00 0.00 179.25 178.57 1ri0 s VAL 38 N -6.17 0.12 -0.48 0.00 -7.23 -1.26 -5.12 120.40 100.26 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 0.11 -2.48 0.09 0.00 0.56 0.00 0.00 36.38 34.66 1ri0 s VAL 38 CO 0.71 0.00 0.40 -0.54 -0.31 0.00 0.00 175.10 175.36 1ri0 s LYS 39 N -3.63 2.90 1.29 4.82 1.02 -1.26 -4.04 119.74 120.84 1ri0 s LYS 39 Ca 0.38 -1.48 -0.19 0.00 0.02 0.00 0.00 55.97 54.70 1ri0 s LYS 39 Cb 0.03 -4.12 0.32 0.00 -0.52 0.00 0.00 37.83 33.55 1ri0 s LYS 39 CO 0.22 -1.10 1.00 -1.12 -0.92 0.00 0.00 175.35 173.43 1ri0 s SER 40 N 2.79 0.02 0.12 2.83 0.01 -1.24 -5.07 113.70 113.16 1ri0 s SER 40 Ca 0.04 1.00 0.00 0.00 1.31 0.00 0.00 55.95 58.30 1ri0 s SER 40 Cb -0.26 -1.48 0.00 0.00 0.21 0.00 0.00 66.02 64.49 1ri0 s SER 40 CO 0.05 -4.72 0.03 0.35 0.41 0.00 0.00 173.24 169.36 1ri0 n THR 41 N -5.21 0.00 -3.08 1.44 -2.24 -1.26 -5.08 114.28 98.85 1ri0 n THR 41 Ca 0.09 -0.53 -0.20 0.00 -2.27 0.00 0.00 64.05 61.15 1ri0 n THR 41 Cb 0.58 -0.04 0.05 0.00 -2.10 0.00 0.00 70.33 68.83 1ri0 n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ri0 s ALA 42 N -2.19 4.68 -1.13 6.98 0.00 -1.26 -4.64 121.76 124.19 1ri0 s ALA 42 Ca 0.02 -2.05 -0.27 0.00 0.00 0.00 0.00 51.96 49.66 1ri0 s ALA 42 Cb -0.00 -1.43 0.03 0.00 0.00 0.00 0.00 23.12 21.72 1ri0 s ALA 42 CO 0.01 -0.77 0.68 0.27 0.00 0.00 0.00 175.76 175.95 1ri0 n ASN 43 N -2.17 -4.41 -3.62 0.00 0.23 -1.26 -4.93 115.26 99.10 1ri0 n ASN 43 Ca 0.14 -1.21 -0.07 0.00 -0.53 0.00 0.00 54.58 52.92 1ri0 n ASN 43 Cb 0.61 -1.82 -0.05 0.00 -2.08 0.00 0.00 39.78 36.44 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 -6.82 0.34 0.10 -3.83 -2.85 -1.26 -5.05 119.74 100.37 1ri0 s LYS 44 Ca 0.40 0.16 0.06 0.00 -1.00 0.00 0.00 55.97 55.58 1ri0 s LYS 44 Cb -0.21 0.16 -0.03 0.00 -2.06 0.00 0.00 37.83 35.69 1ri0 s LYS 44 CO 0.95 -0.09 -0.14 0.71 0.10 0.00 0.00 175.35 176.88 1ri0 s TYR 45 N -0.74 1.33 -0.14 1.78 1.51 -0.37 -4.79 117.35 115.94 1ri0 s TYR 45 Ca 0.04 -0.52 -0.20 0.00 -1.01 0.00 0.00 57.07 55.37 1ri0 s TYR 45 Cb -0.02 -0.72 -0.03 0.00 -0.11 0.00 0.00 41.96 41.08 1ri0 s TYR 45 CO -0.05 0.11 0.59 -1.14 -1.11 0.00 0.00 175.55 173.94 1ri0 s GLN 46 N -2.32 4.31 -0.05 -0.62 0.74 -0.03 -0.93 119.66 120.75 1ri0 s GLN 46 Ca 0.05 0.60 0.05 0.00 0.05 0.00 0.00 55.36 56.11 1ri0 s GLN 46 Cb -0.07 -3.50 -0.00 0.00 1.10 0.00 0.00 33.01 30.54 1ri0 s GLN 46 CO 0.03 -0.03 -0.20 0.08 -0.55 0.00 0.00 175.29 174.62 1ri0 s VAL 47 N 1.19 1.64 -0.28 1.34 1.01 -0.75 0.30 120.40 124.85 1ri0 s VAL 47 Ca 0.29 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 1ri0 s VAL 47 Cb -0.16 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 34.84 1ri0 s VAL 47 CO 0.12 0.47 0.03 -0.36 0.00 0.00 0.00 175.10 175.35 1ri0 s PHE 48 N 0.01 3.14 -0.14 5.22 0.40 -0.21 -0.35 117.98 126.05 1ri0 s PHE 48 Ca -0.05 -1.29 -0.23 0.00 -0.60 0.00 0.00 56.93 54.76 1ri0 s PHE 48 Cb -0.13 -2.18 -0.03 0.00 0.51 0.00 0.00 43.02 41.20 1ri0 s PHE 48 CO 0.03 -0.66 0.71 -0.06 0.70 0.00 0.00 175.22 175.94 1ri0 s PHE 49 N 1.41 3.47 -0.09 0.36 0.40 0.14 0.61 117.98 124.28 1ri0 s PHE 49 Ca 0.01 1.14 -0.06 0.00 -0.60 0.00 0.00 56.93 57.42 1ri0 s PHE 49 Cb -0.17 -2.85 -0.05 0.00 0.51 0.00 0.00 43.02 40.46 1ri0 s PHE 49 CO -0.00 -0.08 0.21 0.74 0.70 0.00 0.00 175.22 176.79 1ri0 h PHE 50 N 7.13 -0.08 -0.98 0.36 0.04 -1.67 0.29 116.94 122.03 1ri0 h PHE 50 Ca -0.35 -0.00 0.13 0.00 2.80 0.00 0.00 57.97 60.55 1ri0 h PHE 50 Cb 1.16 0.03 -0.14 0.00 2.20 0.00 0.00 35.95 39.20 1ri0 h PHE 50 CO 0.69 0.07 -0.45 0.41 -0.60 0.00 0.00 178.31 178.42 1ri0 n GLY 51 N 1.51 -2.21 0.07 -1.45 0.00 -1.26 0.10 105.19 101.96 1ri0 n GLY 51 Ca -0.02 1.12 -0.09 0.00 0.00 0.00 0.00 46.02 47.03 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 1.66 -2.28 2.61 1.35 -1.87 -3.45 112.91 110.93 1ri0 h THR 52 Ca 0.28 -3.28 -0.11 0.00 -0.55 0.00 0.00 66.41 62.74 1ri0 h THR 52 Cb 0.52 2.83 0.04 0.00 -1.73 0.00 0.00 68.15 69.81 1ri0 h THR 52 CO -0.95 0.94 -0.19 1.57 -0.25 0.00 0.00 175.52 176.64 1ri0 n HIS 53 N -3.42 -0.79 -4.08 4.73 -0.00 0.11 -5.05 115.22 106.74 1ri0 n HIS 53 Ca -0.02 0.27 -0.07 0.00 0.46 0.00 0.00 57.72 58.36 1ri0 n HIS 53 Cb 0.94 -2.14 -0.10 0.00 -0.12 0.00 0.00 29.99 28.57 1ri0 n HIS 53 CO 0.00 0.00 0.00 -1.83 0.46 0.00 0.00 176.34 174.97 1ri0 s GLU 54 N -5.31 0.59 0.05 1.57 -1.05 -0.36 -4.95 118.70 109.24 1ri0 s GLU 54 Ca 0.16 -1.16 -0.03 0.00 -0.15 0.00 0.00 54.97 53.79 1ri0 s GLU 54 Cb -0.07 0.21 -0.04 0.00 -0.44 0.00 0.00 34.13 33.78 1ri0 s GLU 54 CO 0.19 -0.11 0.24 0.99 0.95 0.00 0.00 175.26 177.53 1ri0 s THR 55 N -3.72 5.35 -0.10 1.83 2.01 -1.26 0.28 115.64 120.02 1ri0 s THR 55 Ca 0.05 -0.16 -0.09 0.00 0.31 0.00 0.00 61.69 61.80 1ri0 s THR 55 Cb 0.06 -3.60 0.03 0.00 0.01 0.00 0.00 72.50 69.00 1ri0 s THR 55 CO -0.09 0.20 0.26 0.00 -0.69 0.00 0.00 174.62 174.30 1ri0 s ALA 56 N -1.46 -0.65 -0.66 7.40 0.00 0.52 -4.95 121.76 121.96 1ri0 s ALA 56 Ca 0.33 0.72 -0.27 0.00 0.00 0.00 0.00 51.96 52.74 1ri0 s ALA 56 Cb -0.13 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.59 1ri0 s ALA 56 CO 0.23 -0.13 1.55 -0.06 0.00 0.00 0.00 175.76 177.35 1ri0 s PHE 57 N 0.07 2.01 0.33 0.00 0.08 -1.26 -1.80 117.98 117.41 1ri0 s PHE 57 Ca -0.01 0.37 0.03 0.00 0.12 0.00 0.00 56.93 57.44 1ri0 s PHE 57 Cb -0.02 -4.37 -0.05 0.00 -0.57 0.00 0.00 43.02 38.02 1ri0 s PHE 57 CO 0.00 -2.18 0.10 -0.51 -0.10 0.00 0.00 175.22 172.54 1ri0 s LEU 58 N 7.21 1.92 0.00 -0.37 1.43 -0.11 -4.90 118.68 123.88 1ri0 s LEU 58 Ca 0.51 -1.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.12 1ri0 s LEU 58 Cb -0.10 -0.12 0.00 0.00 0.03 0.00 0.00 46.19 45.99 1ri0 s LEU 58 CO 0.19 -0.77 0.00 0.61 0.23 0.00 0.00 176.35 176.61 1ri0 n GLY 59 N -0.68 6.42 0.19 -3.19 0.00 -1.26 -1.23 105.19 105.43 1ri0 n GLY 59 Ca -0.02 -1.75 0.07 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.71 132.00 129.05 1ri0 h PRO 60 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1ri0 h PRO 60 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ri0 h PRO 60 CO 0.00 0.32 -0.05 -0.22 -0.23 0.00 0.00 178.00 177.82 1ri0 h LYS 61 N 0.00 0.00 -0.55 0.86 3.64 -2.01 -2.18 116.57 116.32 1ri0 h LYS 61 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ri0 h LYS 61 Cb 1.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1ri0 h LYS 61 CO 0.04 0.05 0.00 -0.25 -2.27 0.00 0.00 179.45 177.02 1ri0 n ASP 62 N -3.15 3.58 -3.94 4.20 8.00 -1.04 -4.90 116.55 119.31 1ri0 n ASP 62 Ca 0.01 -2.07 -0.19 0.00 0.71 0.00 0.00 54.79 53.25 1ri0 n ASP 62 Cb 0.39 -0.39 -0.16 0.00 -0.02 0.00 0.00 41.12 40.94 1ri0 n ASP 62 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ri0 s LEU 63 N -1.12 1.57 -0.03 0.64 1.43 -0.82 -1.81 118.68 118.54 1ri0 s LEU 63 Ca 0.38 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 1ri0 s LEU 63 Cb 0.21 -0.46 0.01 0.00 0.03 0.00 0.00 46.19 45.98 1ri0 s LEU 63 CO 0.24 0.00 -0.06 -0.36 0.23 0.00 0.00 176.35 176.40 1ri0 s PHE 64 N 0.54 0.79 0.76 0.29 0.40 -0.19 -4.78 117.98 115.78 1ri0 s PHE 64 Ca -0.07 -0.21 -0.11 0.00 -0.60 0.00 0.00 56.93 55.94 1ri0 s PHE 64 Cb -0.11 -0.63 0.04 0.00 0.51 0.00 0.00 43.02 42.84 1ri0 s PHE 64 CO 0.00 -0.14 1.08 -1.25 0.70 0.00 0.00 175.22 175.62 1ri0 s PRO 65 N 0.55 2.43 0.23 0.24 0.04 -1.26 -2.17 135.00 135.06 1ri0 s PRO 65 Ca -0.08 0.77 -0.07 0.00 0.04 0.00 0.00 61.00 61.66 1ri0 s PRO 65 Cb -0.11 -1.95 0.25 0.00 0.04 0.00 0.00 34.50 32.73 1ri0 s PRO 65 CO 0.00 -1.41 1.89 -0.92 0.04 0.00 0.00 177.00 176.60 1ri0 h TYR 66 N -0.94 1.07 -0.46 0.56 3.20 -1.97 0.68 116.97 119.12 1ri0 h TYR 66 Ca -0.46 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.52 1ri0 h TYR 66 Cb 1.24 -0.36 -0.07 0.00 1.54 0.00 0.00 36.73 39.08 1ri0 h TYR 66 CO 0.53 0.64 0.02 0.93 -1.64 0.00 0.00 178.16 178.64 1ri0 h GLU 67 N 1.13 0.13 -0.01 1.82 5.08 -1.97 1.47 114.58 122.22 1ri0 h GLU 67 Ca 0.34 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.58 1ri0 h GLU 67 Cb -0.04 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.18 1ri0 h GLU 67 CO -0.10 0.09 -0.44 0.93 -1.00 0.00 0.00 179.01 178.49 1ri0 h GLU 68 N 0.13 0.32 -0.10 2.33 5.08 -1.80 -1.66 114.58 118.89 1ri0 h GLU 68 Ca 0.23 -0.33 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1ri0 h GLU 68 Cb 0.33 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 1ri0 h GLU 68 CO -0.36 1.01 -0.11 0.66 -1.00 0.00 0.00 179.01 179.22 1ri0 h SER 69 N -0.24 -0.33 0.46 1.42 4.64 0.81 0.35 113.55 120.66 1ri0 h SER 69 Ca -0.05 0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 1ri0 h SER 69 Cb 1.16 0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1ri0 h SER 69 CO 0.09 -0.15 -0.16 0.07 -0.87 0.00 0.00 176.83 175.81 1ri0 h LYS 70 N -0.14 0.00 -0.74 4.77 5.09 0.19 1.72 116.57 127.47 1ri0 h LYS 70 Ca 0.07 0.00 0.02 0.00 0.09 0.00 0.00 60.65 60.83 1ri0 h LYS 70 Cb 0.24 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 32.53 1ri0 h LYS 70 CO -0.18 0.16 0.48 1.49 -2.09 0.00 0.00 179.45 179.30 1ri0 h GLU 71 N 0.00 0.92 0.00 0.07 4.22 0.07 -3.37 114.58 116.48 1ri0 h GLU 71 Ca -0.00 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.38 1ri0 h GLU 71 Cb 0.43 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1ri0 h GLU 71 CO 0.02 0.61 -0.35 1.17 -2.18 0.00 0.00 179.01 178.28 1ri0 n LYS 72 N -4.61 0.18 0.00 1.92 3.00 -0.89 -5.05 118.16 112.71 1ri0 n LYS 72 Ca 0.08 0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 1ri0 n LYS 72 Cb 0.06 -0.77 0.00 0.00 0.00 0.00 0.00 35.03 34.32 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 -3.26 0.00 -0.92 5.64 3.01 0.30 -5.01 117.46 117.23 1ri0 n PHE 73 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.41 1ri0 n PHE 73 Cb 0.18 0.22 0.00 0.00 -0.01 0.00 0.00 39.48 39.87 1ri0 n PHE 73 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ri0 n GLY 74 N 2.34 0.71 2.68 1.37 0.00 0.51 -4.18 105.19 108.62 1ri0 n GLY 74 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1ri0 n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ri0 s LYS 75 N -0.24 0.91 1.03 1.61 0.00 -1.26 -4.82 119.74 116.97 1ri0 s LYS 75 Ca 0.00 -1.49 -0.16 0.00 0.00 0.00 0.00 55.97 54.32 1ri0 s LYS 75 Cb 0.00 -2.00 0.21 0.00 0.00 0.00 0.00 37.83 36.04 1ri0 s LYS 75 CO 0.00 -1.10 1.19 -1.25 0.00 0.00 0.00 175.35 174.20 1ri0 s PRO 76 N 1.01 0.14 0.28 1.78 0.04 -1.26 -4.94 135.00 132.04 1ri0 s PRO 76 Ca 0.14 -0.08 -0.28 0.00 0.04 0.00 0.00 61.00 60.82 1ri0 s PRO 76 Cb -0.21 -1.76 -0.14 0.00 0.04 0.00 0.00 34.50 32.43 1ri0 s PRO 76 CO -0.10 -2.80 0.94 0.09 0.04 0.00 0.00 177.00 175.16 1ri0 n ASN 77 N -4.11 0.94 -4.41 6.66 3.02 -1.26 -4.87 115.26 111.23 1ri0 n ASN 77 Ca 0.12 1.17 -0.45 0.00 -0.03 0.00 0.00 54.58 55.39 1ri0 n ASN 77 Cb 0.59 -1.24 -0.02 0.00 -0.61 0.00 0.00 39.78 38.50 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 -1.48 3.58 0.32 3.52 2.47 -1.26 -4.87 119.74 122.02 1ri0 s LYS 78 Ca 0.59 -1.98 0.05 0.00 -1.56 0.00 0.00 55.97 53.08 1ri0 s LYS 78 Cb -0.73 -4.73 0.05 0.00 -1.46 0.00 0.00 37.83 30.96 1ri0 s LYS 78 CO 0.59 -1.61 0.43 0.54 0.16 0.00 0.00 175.35 175.46 1ri0 n ARG 79 N 5.69 0.80 -0.07 4.03 5.12 -1.26 -4.96 116.66 126.01 1ri0 n ARG 79 Ca 0.20 -1.74 -0.12 0.00 -1.93 0.00 0.00 57.85 54.25 1ri0 n ARG 79 Cb 0.48 -0.10 -0.05 0.00 -1.16 0.00 0.00 32.46 31.62 1ri0 n ARG 79 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1ri0 h LYS 80 N 0.00 0.42 0.00 5.56 1.57 -2.01 -2.37 116.57 119.74 1ri0 h LYS 80 Ca -0.15 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1ri0 h LYS 80 Cb 0.69 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1ri0 h LYS 80 CO 0.22 0.69 0.00 0.41 -0.57 0.00 0.00 179.45 180.20 1ri0 n GLY 81 N -0.07 -1.13 0.12 3.86 0.00 -1.26 -2.64 105.19 104.07 1ri0 n GLY 81 Ca -0.05 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 0.51 0.36 1.61 3.04 -1.78 -0.66 116.94 120.02 1ri0 h PHE 82 Ca 0.00 -0.38 -0.02 0.00 3.98 0.00 0.00 57.97 61.56 1ri0 h PHE 82 Cb 0.31 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.81 1ri0 h PHE 82 CO 0.00 1.40 -0.17 1.03 -2.02 0.00 0.00 178.31 178.55 1ri0 h SER 83 N -0.35 -0.41 0.61 0.41 0.87 -1.30 0.15 113.55 113.53 1ri0 h SER 83 Ca -0.20 -0.14 -0.07 0.00 -1.23 0.00 0.00 61.79 60.15 1ri0 h SER 83 Cb 1.69 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.75 1ri0 h SER 83 CO 0.12 -0.05 -0.33 1.05 -0.53 0.00 0.00 176.83 177.09 1ri0 h GLU 84 N -0.81 0.00 0.33 2.24 4.11 -1.68 -2.11 114.58 116.67 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 0.33 -0.16 0.78 0.07 0.00 0.00 179.01 180.11 1ri0 h GLY 85 N 1.54 -0.47 1.80 1.06 0.00 -1.01 0.71 103.07 106.70 1ri0 h GLY 85 Ca -0.00 0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.53 1ri0 h GLY 85 CO 0.04 -0.17 0.08 -2.00 0.00 0.00 0.00 176.54 174.49 1ri0 h LEU 86 N -0.94 0.00 0.00 3.11 7.12 -0.69 0.49 115.31 124.40 1ri0 h LEU 86 Ca -0.05 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 57.90 1ri0 h LEU 86 Cb 0.52 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.64 1ri0 h LEU 86 CO 0.08 0.00 -0.71 -0.25 -0.13 0.00 0.00 178.44 177.43 1ri0 h TRP 87 N 0.00 0.00 0.00 1.25 2.91 -1.30 -1.56 115.95 117.25 1ri0 h TRP 87 Ca 0.04 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.01 1ri0 h TRP 87 Cb 0.20 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.84 1ri0 h TRP 87 CO 0.00 0.24 -0.26 0.93 -1.03 0.00 0.00 178.44 178.32 1ri0 h GLU 88 N 0.00 0.00 0.02 2.65 4.39 0.54 1.56 114.58 123.74 1ri0 h GLU 88 Ca -0.03 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.27 1ri0 h GLU 88 Cb 1.21 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.80 1ri0 h GLU 88 CO 0.02 0.26 -2.31 1.51 -1.16 0.00 0.00 179.01 177.34 1ri0 n ILE 89 N -3.49 1.55 0.13 3.13 0.00 -0.69 -3.09 119.36 116.90 1ri0 n ILE 89 Ca -0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 62.75 62.27 1ri0 n ILE 89 Cb 0.43 -1.68 0.12 0.00 0.00 0.00 0.00 39.64 38.51 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 -0.42 0.00 -2.06 9.51 4.39 -1.30 -3.34 114.58 121.36 1ri0 h GLU 90 Ca -0.57 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 58.57 1ri0 h GLU 90 Cb 1.77 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 30.02 1ri0 h GLU 90 CO -0.19 0.64 -0.98 0.09 -1.16 0.00 0.00 179.01 177.42 1ri0 n ASN 91 N -3.57 1.40 -4.63 1.42 3.02 0.53 -4.83 115.26 108.59 1ri0 n ASN 91 Ca -0.00 -2.99 -0.35 0.00 -0.03 0.00 0.00 54.58 51.21 1ri0 n ASN 91 Cb 0.68 -0.64 0.11 0.00 -0.61 0.00 0.00 39.78 39.32 1ri0 n ASN 91 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1ri0 n ASN 92 N 0.94 0.53 -0.04 6.41 0.23 -1.18 -4.34 115.26 117.82 1ri0 n ASN 92 Ca 0.24 0.61 -0.13 0.00 -0.53 0.00 0.00 54.58 54.78 1ri0 n ASN 92 Cb 0.52 -1.43 -0.11 0.00 -2.08 0.00 0.00 39.78 36.67 1ri0 n ASN 92 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 1ri0 h PRO 93 N -0.59 -0.01 -3.13 -0.53 0.13 -1.90 -3.34 132.00 122.62 1ri0 h PRO 93 Ca -0.47 0.00 -0.74 0.00 -0.87 0.00 0.00 66.00 63.92 1ri0 h PRO 93 Cb 1.32 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.33 1ri0 h PRO 93 CO 0.46 0.72 2.40 2.41 -0.23 0.00 0.00 178.00 183.76 1ri0 n THR 94 N -4.74 4.65 -1.64 1.56 -1.04 -1.26 -4.96 114.28 106.85 1ri0 n THR 94 Ca -0.09 -4.14 -0.30 0.00 -2.04 0.00 0.00 64.05 57.48 1ri0 n THR 94 Cb 0.36 -2.28 0.19 0.00 -1.82 0.00 0.00 70.33 66.78 1ri0 n THR 94 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1ri0 s VAL 95 N 0.07 1.89 0.00 12.58 0.11 -1.26 -4.94 120.40 128.86 1ri0 s VAL 95 Ca 0.48 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.53 1ri0 s VAL 95 Cb 0.14 -2.82 0.00 0.00 -1.53 0.00 0.00 36.38 32.17 1ri0 s VAL 95 CO -0.05 0.00 0.00 2.29 -3.33 0.00 0.00 175.10 174.01 1ri0 n LYS 96 N -4.01 0.00 -2.95 1.54 2.85 -1.26 -5.12 118.16 109.21 1ri0 n LYS 96 Ca 0.13 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.99 1ri0 n LYS 96 Cb 0.60 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.93 1ri0 n LYS 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ri0 s ALA 97 N -0.87 3.35 -0.03 0.58 0.00 -1.26 -4.97 121.76 118.55 1ri0 s ALA 97 Ca 0.00 0.32 -0.37 0.00 0.00 0.00 0.00 51.96 51.90 1ri0 s ALA 97 Cb 0.00 -3.04 -0.16 0.00 0.00 0.00 0.00 23.12 19.92 1ri0 s ALA 97 CO 0.00 0.04 1.53 0.43 0.00 0.00 0.00 175.76 177.75 1ri0 n SER 98 N 2.88 2.13 0.00 0.00 7.64 -1.26 -4.90 113.62 120.11 1ri0 n SER 98 Ca -0.02 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1ri0 n SER 98 Cb 0.50 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 1ri0 n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ri0 n GLY 99 N 3.26 1.62 0.00 0.23 0.00 -1.26 -5.12 105.19 103.91 1ri0 n GLY 99 Ca 0.21 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1ri0 n GLY 99 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30