#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 1.45 0.00 7.83 0.01 -1.26 -5.15 113.70 116.58 1ri0 s SER 2 Ca 0.00 -0.72 -0.03 0.00 1.31 0.00 0.00 55.95 56.50 1ri0 s SER 2 Cb 0.00 -0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.18 1ri0 s SER 2 CO 0.00 -0.20 0.21 0.00 0.41 0.00 0.00 173.24 173.66 1ri0 s ARG 3 N -2.33 3.47 -0.04 12.44 1.70 -1.26 -5.09 118.95 127.84 1ri0 s ARG 3 Ca 0.01 -0.27 -0.13 0.00 -0.47 0.00 0.00 55.73 54.87 1ri0 s ARG 3 Cb -0.06 -3.08 -0.05 0.00 -0.57 0.00 0.00 34.95 31.19 1ri0 s ARG 3 CO 0.01 0.66 0.35 -1.12 -1.08 0.00 0.00 175.30 174.12 1ri0 s SER 4 N -1.93 6.69 0.58 -2.89 0.01 -1.26 -5.09 113.70 109.81 1ri0 s SER 4 Ca 0.28 0.82 0.07 0.00 1.31 0.00 0.00 55.95 58.44 1ri0 s SER 4 Cb -0.13 -2.21 0.07 0.00 0.21 0.00 0.00 66.02 63.97 1ri0 s SER 4 CO 0.19 0.31 0.62 -0.46 0.41 0.00 0.00 173.24 174.31 1ri0 n ASN 5 N 2.05 2.50 -3.88 2.44 6.94 -1.26 -5.13 115.26 118.92 1ri0 n ASN 5 Ca -0.15 -2.77 -0.25 0.00 -0.02 0.00 0.00 54.58 51.40 1ri0 n ASN 5 Cb 0.53 -0.24 0.16 0.00 -2.36 0.00 0.00 39.78 37.87 1ri0 n ASN 5 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 1ri0 n ARG 6 N -2.06 -0.82 -0.07 -3.83 0.00 -1.26 -5.05 116.66 103.57 1ri0 n ARG 6 Ca 0.07 -2.03 -0.11 0.00 -0.00 0.00 0.00 57.85 55.78 1ri0 n ARG 6 Cb 0.63 -1.04 -0.06 0.00 -0.00 0.00 0.00 32.46 31.99 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 -3.26 0.35 0.00 2.89 0.00 -1.26 -4.92 117.38 111.18 1ri0 n GLN 7 Ca 0.15 0.09 0.00 0.00 0.00 0.00 0.00 57.00 57.24 1ri0 n GLN 7 Cb 0.52 -1.24 0.00 0.00 0.00 0.00 0.00 30.24 29.52 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 -3.06 0.00 -1.92 2.61 0.00 -1.26 -5.03 118.16 109.50 1ri0 n LYS 8 Ca -0.26 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.65 1ri0 n LYS 8 Cb 0.76 -0.48 -0.03 0.00 -0.00 0.00 0.00 35.03 35.28 1ri0 n LYS 8 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1ri0 s GLU 9 N -1.00 2.75 -0.04 -1.58 -1.05 -1.26 -4.93 118.70 111.59 1ri0 s GLU 9 Ca 0.00 1.05 -0.01 0.00 -0.15 0.00 0.00 54.97 55.86 1ri0 s GLU 9 Cb 0.00 -4.37 0.03 0.00 -0.44 0.00 0.00 34.13 29.35 1ri0 s GLU 9 CO 0.00 -2.56 0.07 1.52 0.95 0.00 0.00 175.26 175.24 1ri0 s TYR 10 N 9.03 -0.02 0.43 4.83 1.13 -1.26 -4.68 117.35 126.81 1ri0 s TYR 10 Ca 0.78 0.26 0.04 0.00 -1.41 0.00 0.00 57.07 56.74 1ri0 s TYR 10 Cb -0.17 -0.24 -0.01 0.00 -1.10 0.00 0.00 41.96 40.43 1ri0 s TYR 10 CO 0.26 -0.14 0.13 1.63 -2.51 0.00 0.00 175.55 174.92 1ri0 n LYS 11 N 4.45 0.59 -1.43 -3.49 5.02 -1.26 -5.04 118.16 117.01 1ri0 n LYS 11 Ca -0.22 -3.54 -0.45 0.00 -2.02 0.00 0.00 58.31 52.07 1ri0 n LYS 11 Cb 0.50 1.81 -0.02 0.00 -0.02 0.00 0.00 35.03 37.30 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 1.86 3.27 3.75 0.00 0.00 -1.24 -5.05 105.19 107.79 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 -0.74 7.35 -0.03 1.61 -1.08 -0.53 -4.88 116.67 118.38 1ri0 s ASP 14 Ca 0.00 2.13 0.03 0.00 -0.52 0.00 0.00 52.55 54.20 1ri0 s ASP 14 Cb 0.00 -2.61 -0.03 0.00 -1.46 0.00 0.00 42.92 38.82 1ri0 s ASP 14 CO 0.00 -0.10 -0.11 -0.22 0.52 0.00 0.00 175.17 175.25 1ri0 s LEU 15 N -1.00 2.92 0.28 -1.34 2.96 -1.26 -0.89 118.68 120.35 1ri0 s LEU 15 Ca 0.45 -0.18 -0.19 0.00 -0.22 0.00 0.00 54.13 54.00 1ri0 s LEU 15 Cb -0.30 -1.64 0.06 0.00 0.50 0.00 0.00 46.19 44.81 1ri0 s LEU 15 CO 0.37 0.32 0.91 0.68 -1.32 0.00 0.00 176.35 177.31 1ri0 s VAL 16 N -0.84 0.00 -0.26 1.68 -7.23 -0.93 -4.95 120.40 107.87 1ri0 s VAL 16 Ca 0.13 -0.80 -0.18 0.00 -1.81 0.00 0.00 61.98 59.33 1ri0 s VAL 16 Cb -0.11 -2.83 -0.03 0.00 0.56 0.00 0.00 36.38 33.97 1ri0 s VAL 16 CO 0.03 0.00 0.51 -0.36 -0.31 0.00 0.00 175.10 174.97 1ri0 s PHE 17 N -2.32 3.27 0.24 2.82 0.40 -0.89 -0.95 117.98 120.54 1ri0 s PHE 17 Ca 0.18 0.63 -0.15 0.00 -0.60 0.00 0.00 56.93 56.99 1ri0 s PHE 17 Cb -0.04 -2.71 -0.08 0.00 0.51 0.00 0.00 43.02 40.70 1ri0 s PHE 17 CO 0.08 -0.27 0.64 0.00 0.70 0.00 0.00 175.22 176.37 1ri0 s ALA 18 N 2.27 3.46 -0.08 5.36 0.00 0.13 -1.25 121.76 131.65 1ri0 s ALA 18 Ca 0.21 -0.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.10 1ri0 s ALA 18 Cb -0.16 -2.64 0.03 0.00 0.00 0.00 0.00 23.12 20.36 1ri0 s ALA 18 CO 0.09 0.40 0.03 0.21 0.00 0.00 0.00 175.76 176.49 1ri0 s LYS 19 N -2.48 0.34 0.20 0.00 2.47 0.06 -1.48 119.74 118.86 1ri0 s LYS 19 Ca 0.46 0.14 0.02 0.00 -1.56 0.00 0.00 55.97 55.03 1ri0 s LYS 19 Cb -0.13 -0.98 -0.05 0.00 -1.46 0.00 0.00 37.83 35.21 1ri0 s LYS 19 CO 0.19 -0.37 0.02 1.41 0.16 0.00 0.00 175.35 176.76 1ri0 s MET 20 N 2.04 1.20 0.26 4.03 1.75 -0.98 -4.75 119.30 122.85 1ri0 s MET 20 Ca 0.04 -1.60 -0.31 0.00 -1.25 0.00 0.00 55.69 52.58 1ri0 s MET 20 Cb -0.13 -0.32 -0.13 0.00 2.84 0.00 0.00 34.83 37.09 1ri0 s MET 20 CO -0.05 -0.15 1.42 1.63 -0.65 0.00 0.00 175.02 177.21 1ri0 n LYS 21 N -0.31 2.16 -0.84 4.11 4.76 -1.26 0.22 118.16 127.00 1ri0 n LYS 21 Ca -0.05 0.77 0.00 0.00 -2.87 0.00 0.00 58.31 56.15 1ri0 n LYS 21 Cb 0.64 -2.43 0.00 0.00 -1.84 0.00 0.00 35.03 31.40 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 1.94 0.10 2.94 0.72 0.00 -1.26 -4.92 105.19 104.72 1ri0 n GLY 22 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.26 2.03 0.63 1.61 5.04 0.13 -5.13 117.35 120.40 1ri0 s TYR 23 Ca 0.00 -1.31 -0.14 0.00 -2.44 0.00 0.00 57.07 53.18 1ri0 s TYR 23 Cb 0.00 -1.47 -0.02 0.00 0.35 0.00 0.00 41.96 40.82 1ri0 s TYR 23 CO 0.00 -0.67 1.05 -1.25 -1.34 0.00 0.00 175.55 173.34 1ri0 s PRO 24 N 1.52 3.20 -0.34 4.97 0.04 -1.26 -2.32 135.00 140.81 1ri0 s PRO 24 Ca 0.00 1.08 -0.41 0.00 0.04 0.00 0.00 61.00 61.72 1ri0 s PRO 24 Cb -0.16 -2.02 -0.16 0.00 0.04 0.00 0.00 34.50 32.21 1ri0 s PRO 24 CO -0.08 -0.90 1.83 0.72 0.04 0.00 0.00 177.00 178.61 1ri0 n HIS 25 N -2.46 1.88 -4.19 0.56 8.25 -1.26 -4.77 115.22 113.23 1ri0 n HIS 25 Ca 0.08 0.59 -0.12 0.00 -0.26 0.00 0.00 57.72 58.01 1ri0 n HIS 25 Cb 0.53 -2.43 -0.10 0.00 1.12 0.00 0.00 29.99 29.11 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 4.26 1.02 -0.59 4.41 0.51 -0.55 -4.58 118.94 123.42 1ri0 s TRP 26 Ca 1.03 -0.80 -0.27 0.00 -2.12 0.00 0.00 56.10 53.94 1ri0 s TRP 26 Cb -1.13 -0.56 0.01 0.00 -0.81 0.00 0.00 33.47 30.98 1ri0 s TRP 26 CO 0.66 -0.05 1.52 -1.25 -0.51 0.00 0.00 176.95 177.31 1ri0 s PRO 27 N -3.49 3.13 0.06 4.98 0.04 -1.26 0.18 135.00 138.64 1ri0 s PRO 27 Ca 0.11 0.44 0.09 0.00 0.04 0.00 0.00 61.00 61.68 1ri0 s PRO 27 Cb 0.02 -4.20 -0.03 0.00 0.04 0.00 0.00 34.50 30.33 1ri0 s PRO 27 CO -0.02 -2.15 -0.25 0.00 0.04 0.00 0.00 177.00 174.63 1ri0 s ALA 28 N 6.74 2.11 -0.02 8.56 0.00 -0.13 -2.22 121.76 136.81 1ri0 s ALA 28 Ca 0.55 -1.24 -0.13 0.00 0.00 0.00 0.00 51.96 51.14 1ri0 s ALA 28 Cb -0.11 -0.41 -0.05 0.00 0.00 0.00 0.00 23.12 22.54 1ri0 s ALA 28 CO 0.23 0.49 0.35 0.50 0.00 0.00 0.00 175.76 177.33 1ri0 s ARG 29 N -1.37 3.80 0.32 0.00 3.52 0.16 -2.18 118.95 123.20 1ri0 s ARG 29 Ca 0.11 0.27 -0.28 0.00 -0.13 0.00 0.00 55.73 55.70 1ri0 s ARG 29 Cb -0.10 -3.19 -0.09 0.00 -1.56 0.00 0.00 34.95 30.00 1ri0 s ARG 29 CO 0.03 0.70 1.12 -1.50 -0.81 0.00 0.00 175.30 174.83 1ri0 s ILE 30 N -1.10 3.41 -0.01 4.11 -1.16 -0.07 -1.64 121.20 124.75 1ri0 s ILE 30 Ca 0.23 1.34 -0.07 0.00 -0.51 0.00 0.00 60.65 61.64 1ri0 s ILE 30 Cb -0.15 -3.82 0.01 0.00 0.61 0.00 0.00 42.46 39.10 1ri0 s ILE 30 CO 0.12 0.26 0.15 -1.81 -2.81 0.00 0.00 174.94 170.85 1ri0 s ASP 31 N -0.98 -0.03 0.09 4.50 1.01 0.11 -3.59 116.67 117.79 1ri0 s ASP 31 Ca 0.48 -0.06 -0.04 0.00 0.71 0.00 0.00 52.55 53.63 1ri0 s ASP 31 Cb -0.31 0.25 -0.05 0.00 1.01 0.00 0.00 42.92 43.81 1ri0 s ASP 31 CO 0.40 -0.30 0.32 -0.70 0.21 0.00 0.00 175.17 175.10 1ri0 s GLU 32 N -1.02 3.58 -0.24 8.23 2.12 -1.26 -0.05 118.70 130.05 1ri0 s GLU 32 Ca -0.11 -0.14 -0.29 0.00 0.36 0.00 0.00 54.97 54.79 1ri0 s GLU 32 Cb -0.06 -2.94 0.00 0.00 0.26 0.00 0.00 34.13 31.39 1ri0 s GLU 32 CO 0.01 0.54 1.16 0.00 -0.54 0.00 0.00 175.26 176.43 1ri0 s MET 33 N -2.39 4.16 1.00 4.30 0.23 -1.26 -4.76 119.30 120.57 1ri0 s MET 33 Ca 0.36 1.38 -0.15 0.00 -1.03 0.00 0.00 55.69 56.25 1ri0 s MET 33 Cb -0.13 -3.74 0.19 0.00 -1.53 0.00 0.00 34.83 29.63 1ri0 s MET 33 CO 0.23 -0.79 1.18 -1.25 -2.03 0.00 0.00 175.02 172.36 1ri0 s PRO 34 N 3.54 0.43 -0.40 3.16 0.04 -1.26 -4.63 135.00 135.88 1ri0 s PRO 34 Ca 0.50 0.01 0.06 0.00 0.04 0.00 0.00 61.00 61.60 1ri0 s PRO 34 Cb -0.17 -1.78 0.62 0.00 0.04 0.00 0.00 34.50 33.22 1ri0 s PRO 34 CO 0.13 -2.63 1.78 -0.85 0.04 0.00 0.00 177.00 175.48 1ri0 n GLU 35 N -4.01 2.18 -0.01 4.56 0.28 -1.24 -3.91 120.64 118.49 1ri0 n GLU 35 Ca 0.10 -3.07 -0.02 0.00 -0.16 0.00 0.00 57.16 54.01 1ri0 n GLU 35 Cb 0.59 -2.07 -0.01 0.00 1.43 0.00 0.00 31.44 31.38 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 -1.11 1.92 -0.09 -1.84 0.00 -1.26 -4.76 120.51 113.38 1ri0 n ALA 36 Ca 0.51 -0.27 -0.10 0.00 0.00 0.00 0.00 53.44 53.58 1ri0 n ALA 36 Cb 1.48 0.10 -0.03 0.00 0.00 0.00 0.00 19.45 20.99 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 -0.61 0.35 -2.86 0.00 0.00 -2.00 -3.46 119.26 110.69 1ri0 h ALA 37 Ca 0.00 -0.13 -0.35 0.00 0.00 0.00 0.00 54.91 54.43 1ri0 h ALA 37 Cb 0.28 -0.11 -0.12 0.00 0.00 0.00 0.00 17.79 17.85 1ri0 h ALA 37 CO 0.00 -0.04 -0.39 0.14 0.00 0.00 0.00 179.25 178.96 1ri0 s VAL 38 N -5.49 0.00 0.46 0.00 -7.23 -1.26 -5.14 120.40 101.75 1ri0 s VAL 38 Ca -0.13 -1.84 -0.24 0.00 -1.81 0.00 0.00 61.98 57.96 1ri0 s VAL 38 Cb 0.08 -2.53 -0.07 0.00 0.56 0.00 0.00 36.38 34.42 1ri0 s VAL 38 CO 0.73 0.00 1.29 -0.54 -0.31 0.00 0.00 175.10 176.27 1ri0 s LYS 39 N -3.46 3.67 -1.15 4.82 3.01 -1.26 -3.72 119.74 121.66 1ri0 s LYS 39 Ca 0.36 2.10 -0.08 0.00 -1.01 0.00 0.00 55.97 57.34 1ri0 s LYS 39 Cb 0.02 -2.52 0.26 0.00 -1.01 0.00 0.00 37.83 34.57 1ri0 s LYS 39 CO 0.22 -0.72 1.44 0.45 0.51 0.00 0.00 175.35 177.25 1ri0 n SER 40 N -0.37 5.76 -4.74 2.83 2.88 -1.25 -4.81 113.62 113.92 1ri0 n SER 40 Ca 0.06 -3.19 -0.29 0.00 -1.33 0.00 0.00 58.87 54.13 1ri0 n SER 40 Cb 0.45 -1.38 -0.07 0.00 -0.75 0.00 0.00 64.21 62.45 1ri0 n SER 40 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1ri0 s THR 41 N -1.17 1.73 -0.21 2.46 2.01 -1.26 -5.00 115.64 114.19 1ri0 s THR 41 Ca 0.34 -1.85 -0.10 0.00 0.31 0.00 0.00 61.69 60.39 1ri0 s THR 41 Cb 0.00 -2.58 -0.05 0.00 0.01 0.00 0.00 72.50 69.88 1ri0 s THR 41 CO 0.02 0.00 0.13 0.00 -0.69 0.00 0.00 174.62 174.08 1ri0 s ALA 42 N -2.75 3.61 0.00 7.40 0.00 -1.26 -4.60 121.76 124.16 1ri0 s ALA 42 Ca 0.26 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1ri0 s ALA 42 Cb 0.04 -2.20 0.00 0.00 0.00 0.00 0.00 23.12 20.96 1ri0 s ALA 42 CO 0.14 0.01 0.00 0.27 0.00 0.00 0.00 175.76 176.18 1ri0 n ASN 43 N 3.85 0.00 -3.81 0.00 0.23 -1.26 -5.13 115.26 109.14 1ri0 n ASN 43 Ca -0.16 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 53.77 1ri0 n ASN 43 Cb 0.52 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.11 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 0.00 0.39 0.11 -3.83 -2.85 -1.26 -5.05 119.74 107.25 1ri0 s LYS 44 Ca 0.00 0.04 0.03 0.00 -1.00 0.00 0.00 55.97 55.04 1ri0 s LYS 44 Cb 0.00 0.17 -0.04 0.00 -2.06 0.00 0.00 37.83 35.91 1ri0 s LYS 44 CO 0.00 -0.08 0.13 0.71 0.10 0.00 0.00 175.35 176.21 1ri0 s TYR 45 N -0.52 3.22 0.02 1.78 1.51 -0.19 -4.78 117.35 118.39 1ri0 s TYR 45 Ca -0.06 0.06 -0.25 0.00 -1.01 0.00 0.00 57.07 55.80 1ri0 s TYR 45 Cb -0.04 -1.59 -0.05 0.00 -0.11 0.00 0.00 41.96 40.17 1ri0 s TYR 45 CO 0.01 0.53 0.79 -0.65 -1.11 0.00 0.00 175.55 175.12 1ri0 s GLN 46 N -2.73 4.50 0.05 -0.62 -0.21 0.92 0.17 119.66 121.75 1ri0 s GLN 46 Ca 0.31 1.09 0.07 0.00 0.02 0.00 0.00 55.36 56.85 1ri0 s GLN 46 Cb -0.11 -3.39 -0.03 0.00 1.00 0.00 0.00 33.01 30.48 1ri0 s GLN 46 CO 0.23 0.20 -0.21 0.54 -2.12 0.00 0.00 175.29 173.93 1ri0 s VAL 47 N 0.25 1.68 -0.14 1.09 0.11 0.74 0.05 120.40 124.18 1ri0 s VAL 47 Ca 0.40 -1.24 -0.03 0.00 -2.93 0.00 0.00 61.98 58.18 1ri0 s VAL 47 Cb -0.20 -1.47 0.05 0.00 -1.53 0.00 0.00 36.38 33.23 1ri0 s VAL 47 CO 0.23 0.17 0.05 0.12 -3.33 0.00 0.00 175.10 172.34 1ri0 s PHE 48 N -0.85 0.52 -0.06 1.54 2.19 -0.65 -0.68 117.98 120.00 1ri0 s PHE 48 Ca 0.07 -0.35 -0.24 0.00 0.33 0.00 0.00 56.93 56.74 1ri0 s PHE 48 Cb -0.09 -0.78 -0.04 0.00 -1.31 0.00 0.00 43.02 40.80 1ri0 s PHE 48 CO 0.02 -0.45 0.74 -0.06 1.83 0.00 0.00 175.22 177.30 1ri0 s PHE 49 N 2.02 3.58 -0.09 10.12 0.08 0.20 0.40 117.98 134.30 1ri0 s PHE 49 Ca 0.02 1.30 -0.00 0.00 0.12 0.00 0.00 56.93 58.37 1ri0 s PHE 49 Cb -0.15 -2.85 -0.00 0.00 -0.57 0.00 0.00 43.02 39.45 1ri0 s PHE 49 CO -0.07 0.07 0.01 0.74 -0.10 0.00 0.00 175.22 175.87 1ri0 h PHE 50 N 6.78 -0.01 -0.95 0.36 0.04 -1.72 0.21 116.94 121.65 1ri0 h PHE 50 Ca -0.41 -0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.47 1ri0 h PHE 50 Cb 1.20 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 39.22 1ri0 h PHE 50 CO 0.65 -0.01 -0.48 0.41 -0.60 0.00 0.00 178.31 178.29 1ri0 n GLY 51 N 1.77 -2.26 0.09 -1.45 0.00 -1.26 0.37 105.19 102.45 1ri0 n GLY 51 Ca -0.00 1.11 -0.04 0.00 0.00 0.00 0.00 46.02 47.09 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 1.47 -3.29 2.61 1.35 -1.86 -3.45 112.91 109.73 1ri0 h THR 52 Ca 0.23 -2.95 -0.18 0.00 -0.55 0.00 0.00 66.41 62.95 1ri0 h THR 52 Cb 0.47 2.65 0.07 0.00 -1.73 0.00 0.00 68.15 69.60 1ri0 h THR 52 CO -0.92 0.81 -0.32 1.57 -0.25 0.00 0.00 175.52 176.41 1ri0 n HIS 53 N -3.37 -1.33 -4.49 4.73 -0.00 0.16 -5.04 115.22 105.88 1ri0 n HIS 53 Ca 0.00 0.47 -0.24 0.00 0.46 0.00 0.00 57.72 58.42 1ri0 n HIS 53 Cb 0.84 -2.92 -0.10 0.00 -0.12 0.00 0.00 29.99 27.69 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 -5.54 1.69 0.02 1.57 0.41 -0.36 -4.94 118.70 111.55 1ri0 s GLU 54 Ca 0.26 -1.87 0.07 0.00 -0.41 0.00 0.00 54.97 53.02 1ri0 s GLU 54 Cb -0.11 -1.40 -0.02 0.00 -1.78 0.00 0.00 34.13 30.81 1ri0 s GLU 54 CO 0.34 0.07 -0.22 0.99 -0.49 0.00 0.00 175.26 175.94 1ri0 s THR 55 N -2.84 1.77 0.37 3.63 2.01 -1.26 0.61 115.64 119.93 1ri0 s THR 55 Ca 0.31 -1.15 -0.07 0.00 0.31 0.00 0.00 61.69 61.10 1ri0 s THR 55 Cb 0.04 -1.51 0.03 0.00 0.01 0.00 0.00 72.50 71.06 1ri0 s THR 55 CO 0.14 0.32 0.60 0.00 -0.69 0.00 0.00 174.62 175.00 1ri0 n ALA 56 N 2.05 -0.89 -3.12 7.40 0.00 0.15 -5.00 120.51 121.11 1ri0 n ALA 56 Ca -0.17 -1.48 -0.37 0.00 0.00 0.00 0.00 53.44 51.42 1ri0 n ALA 56 Cb 0.53 1.19 -0.12 0.00 0.00 0.00 0.00 19.45 21.05 1ri0 n ALA 56 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1ri0 s PHE 57 N -2.67 3.15 0.30 0.00 -0.71 -1.26 -0.18 117.98 116.61 1ri0 s PHE 57 Ca 0.24 -0.88 0.03 0.00 -1.04 0.00 0.00 56.93 55.29 1ri0 s PHE 57 Cb -0.02 -2.27 -0.03 0.00 -1.21 0.00 0.00 43.02 39.49 1ri0 s PHE 57 CO 0.17 -0.54 0.28 -0.51 -1.34 0.00 0.00 175.22 173.28 1ri0 s LEU 58 N 1.53 1.47 0.00 -1.99 1.43 0.13 -4.91 118.68 116.33 1ri0 s LEU 58 Ca 0.03 -1.61 0.00 0.00 -1.03 0.00 0.00 54.13 51.52 1ri0 s LEU 58 Cb -0.17 0.68 0.00 0.00 0.03 0.00 0.00 46.19 46.73 1ri0 s LEU 58 CO 0.03 -1.05 0.00 0.61 0.23 0.00 0.00 176.35 176.17 1ri0 n GLY 59 N -0.53 6.15 0.12 -3.19 0.00 -1.26 -1.02 105.19 105.46 1ri0 n GLY 59 Ca 0.05 -1.65 -0.02 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.25 1.61 0.13 -1.98 -2.66 132.00 128.86 1ri0 h PRO 60 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.02 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 0.71 -0.31 1.57 -0.23 0.00 0.00 178.00 179.75 1ri0 h LYS 61 N 0.00 0.51 -0.06 0.86 -0.00 -2.01 -1.52 116.57 114.35 1ri0 h LYS 61 Ca -0.01 -0.22 0.00 0.00 -0.00 0.00 0.00 60.65 60.43 1ri0 h LYS 61 Cb 1.30 -0.02 0.00 0.00 -0.00 0.00 0.00 32.23 33.51 1ri0 h LYS 61 CO 0.09 0.76 0.00 -0.25 -0.00 0.00 0.00 179.45 180.05 1ri0 n ASP 62 N -4.08 1.08 -4.09 7.07 8.00 -1.16 -4.70 116.55 118.66 1ri0 n ASP 62 Ca -0.01 -1.47 -0.32 0.00 0.71 0.00 0.00 54.79 53.70 1ri0 n ASP 62 Cb 0.45 -0.03 -0.16 0.00 -0.02 0.00 0.00 41.12 41.35 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 -1.80 1.98 -0.05 0.64 1.43 -0.57 -0.76 118.68 119.55 1ri0 s LEU 63 Ca 0.36 -0.59 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 1ri0 s LEU 63 Cb 0.19 -1.37 -0.03 0.00 0.03 0.00 0.00 46.19 45.01 1ri0 s LEU 63 CO 0.30 -0.01 -0.10 0.12 0.23 0.00 0.00 176.35 176.89 1ri0 s PHE 64 N 1.28 2.83 0.90 0.29 5.36 -0.38 -4.79 117.98 123.47 1ri0 s PHE 64 Ca 0.03 -0.06 -0.12 0.00 -0.96 0.00 0.00 56.93 55.82 1ri0 s PHE 64 Cb -0.13 -1.66 0.13 0.00 -0.34 0.00 0.00 43.02 41.02 1ri0 s PHE 64 CO -0.11 0.28 1.14 -1.25 -1.46 0.00 0.00 175.22 173.81 1ri0 s PRO 65 N -0.84 1.22 0.00 10.12 0.04 -1.26 -2.10 135.00 142.18 1ri0 s PRO 65 Ca 0.12 0.31 -0.12 0.00 0.04 0.00 0.00 61.00 61.35 1ri0 s PRO 65 Cb -0.11 -1.85 -0.33 0.00 0.04 0.00 0.00 34.50 32.26 1ri0 s PRO 65 CO 0.02 -2.14 0.87 -0.92 0.04 0.00 0.00 177.00 174.86 1ri0 h TYR 66 N -1.46 0.81 -0.21 0.56 3.20 -1.98 -2.81 116.97 115.07 1ri0 h TYR 66 Ca -0.50 -0.59 0.05 0.00 3.14 0.00 0.00 58.73 60.83 1ri0 h TYR 66 Cb 1.33 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 39.51 1ri0 h TYR 66 CO 0.30 1.57 -0.13 0.93 -1.64 0.00 0.00 178.16 179.20 1ri0 h GLU 67 N 0.12 -0.12 -0.16 1.82 5.08 -1.96 0.97 114.58 120.34 1ri0 h GLU 67 Ca -0.28 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 1ri0 h GLU 67 Cb 2.12 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.39 1ri0 h GLU 67 CO 0.23 -0.08 0.02 0.93 -1.00 0.00 0.00 179.01 179.11 1ri0 h GLU 68 N -0.12 0.27 -0.19 2.33 3.07 -1.98 0.11 114.58 118.07 1ri0 h GLU 68 Ca 0.12 -0.07 0.04 0.00 -0.50 0.00 0.00 59.36 58.95 1ri0 h GLU 68 Cb 0.30 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.14 1ri0 h GLU 68 CO -0.29 0.45 -0.06 0.66 -1.40 0.00 0.00 179.01 178.38 1ri0 h SER 69 N 0.04 -0.21 0.64 1.42 4.64 -1.16 0.26 113.55 119.18 1ri0 h SER 69 Ca 0.05 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1ri0 h SER 69 Cb 0.32 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1ri0 h SER 69 CO 0.00 -0.08 0.00 2.29 -0.87 0.00 0.00 176.83 178.17 1ri0 n LYS 70 N -5.21 0.07 -0.01 4.77 -0.00 0.33 0.34 118.16 118.46 1ri0 n LYS 70 Ca -0.03 0.29 -0.13 0.00 -0.00 0.00 0.00 58.31 58.45 1ri0 n LYS 70 Cb 0.13 -1.64 -0.10 0.00 -0.00 0.00 0.00 35.03 33.43 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 0.03 0.00 -1.58 4.57 0.22 -3.42 114.58 114.40 1ri0 h GLU 71 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1ri0 h GLU 71 Cb 0.32 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 1ri0 h GLU 71 CO 0.00 0.48 -0.19 1.17 -1.18 0.00 0.00 179.01 179.29 1ri0 n LYS 72 N -4.85 0.10 0.00 1.92 3.00 -0.95 -5.06 118.16 112.33 1ri0 n LYS 72 Ca -0.08 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1ri0 n LYS 72 Cb 0.25 -0.60 0.00 0.00 0.00 0.00 0.00 35.03 34.67 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 -2.92 0.00 -2.78 5.64 3.01 0.27 -5.03 117.46 115.66 1ri0 n PHE 73 Ca -0.03 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.22 1ri0 n PHE 73 Cb 0.10 0.14 0.02 0.00 -0.01 0.00 0.00 39.48 39.73 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 2.14 -0.46 2.74 1.37 0.00 0.15 -4.12 105.19 107.02 1ri0 n GLY 74 Ca 0.00 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -5.42 1.07 0.99 1.61 -2.85 -1.26 -4.75 119.74 109.13 1ri0 s LYS 75 Ca 0.19 -1.63 -0.15 0.00 -1.00 0.00 0.00 55.97 53.39 1ri0 s LYS 75 Cb -0.08 -2.26 0.19 0.00 -2.06 0.00 0.00 37.83 33.61 1ri0 s LYS 75 CO 0.24 -1.08 1.18 -1.25 0.10 0.00 0.00 175.35 174.54 1ri0 s PRO 76 N 0.90 0.47 -0.34 1.78 0.04 -1.26 -4.87 135.00 131.72 1ri0 s PRO 76 Ca 0.14 0.04 -0.37 0.00 0.04 0.00 0.00 61.00 60.85 1ri0 s PRO 76 Cb -0.21 -1.78 -0.12 0.00 0.04 0.00 0.00 34.50 32.42 1ri0 s PRO 76 CO -0.10 -2.60 2.11 0.09 0.04 0.00 0.00 177.00 176.54 1ri0 n ASN 77 N -4.00 2.12 -4.57 6.66 3.02 -1.26 -4.78 115.26 112.46 1ri0 n ASN 77 Ca 0.10 0.55 -0.29 0.00 -0.03 0.00 0.00 54.58 54.91 1ri0 n ASN 77 Cb 0.59 -1.22 -0.05 0.00 -0.61 0.00 0.00 39.78 38.49 1ri0 n ASN 77 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ri0 s LYS 78 N 5.75 2.69 0.35 3.52 -0.14 -1.26 -4.82 119.74 125.84 1ri0 s LYS 78 Ca 1.08 -0.76 0.06 0.00 -1.36 0.00 0.00 55.97 54.99 1ri0 s LYS 78 Cb -0.93 -5.18 0.06 0.00 -1.68 0.00 0.00 37.83 30.10 1ri0 s LYS 78 CO 0.53 -3.44 0.48 0.54 -0.76 0.00 0.00 175.35 172.70 1ri0 n ARG 79 N 8.63 0.77 -0.14 1.68 5.12 -1.26 -4.96 116.66 126.50 1ri0 n ARG 79 Ca 0.42 -1.93 -0.10 0.00 -1.93 0.00 0.00 57.85 54.31 1ri0 n ARG 79 Cb 0.47 -0.13 -0.01 0.00 -1.16 0.00 0.00 32.46 31.63 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 0.70 0.00 5.56 1.57 -2.01 -1.75 116.57 120.64 1ri0 h LYS 80 Ca -0.17 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1ri0 h LYS 80 Cb 0.77 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1ri0 h LYS 80 CO 0.24 0.77 0.00 0.41 -0.57 0.00 0.00 179.45 180.30 1ri0 n GLY 81 N -0.42 -0.95 0.07 3.86 0.00 -1.26 -2.15 105.19 104.33 1ri0 n GLY 81 Ca -0.01 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 0.29 1.61 3.04 -1.64 -0.78 116.94 119.46 1ri0 h PHE 82 Ca 0.00 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 1ri0 h PHE 82 Cb 0.22 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.73 1ri0 h PHE 82 CO 0.00 0.98 -0.14 0.77 -2.02 0.00 0.00 178.31 177.90 1ri0 h SER 83 N -1.00 -0.33 0.86 0.41 0.02 -1.31 0.39 113.55 112.59 1ri0 h SER 83 Ca -0.02 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1ri0 h SER 83 Cb 0.97 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1ri0 h SER 83 CO -0.01 -0.00 0.00 1.05 -1.14 0.00 0.00 176.83 176.72 1ri0 h GLU 84 N -0.69 0.00 0.09 3.45 4.11 -1.61 -2.42 114.58 117.52 1ri0 h GLU 84 Ca -0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.39 1ri0 h GLU 84 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1ri0 h GLU 84 CO 0.07 0.00 -0.04 0.78 0.07 0.00 0.00 179.01 179.88 1ri0 h GLY 85 N 2.35 -0.13 1.74 1.06 0.00 -0.83 0.12 103.07 107.38 1ri0 h GLY 85 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.41 1ri0 h GLY 85 CO 0.00 -0.05 0.10 -2.00 0.00 0.00 0.00 176.54 174.59 1ri0 h LEU 86 N -1.03 0.00 0.00 3.11 7.12 -0.93 0.63 115.31 124.21 1ri0 h LEU 86 Ca -0.01 0.00 -0.07 0.00 0.13 0.00 0.00 57.88 57.93 1ri0 h LEU 86 Cb 0.14 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.26 1ri0 h LEU 86 CO 0.02 0.00 -0.91 -0.25 -0.13 0.00 0.00 178.44 177.17 1ri0 h TRP 87 N 0.00 0.00 0.00 1.25 2.91 -1.51 -1.61 115.95 117.00 1ri0 h TRP 87 Ca 0.05 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.04 1ri0 h TRP 87 Cb 0.25 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.90 1ri0 h TRP 87 CO 0.00 0.25 -0.11 0.93 -1.03 0.00 0.00 178.44 178.49 1ri0 h GLU 88 N 0.00 0.00 0.00 2.65 5.08 0.30 1.27 114.58 123.88 1ri0 h GLU 88 Ca -0.05 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.92 1ri0 h GLU 88 Cb 1.24 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.42 1ri0 h GLU 88 CO 0.02 0.11 -2.42 1.51 -1.00 0.00 0.00 179.01 177.23 1ri0 n ILE 89 N -3.22 1.43 0.13 3.13 0.00 -0.65 -3.44 119.36 116.74 1ri0 n ILE 89 Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 62.75 62.25 1ri0 n ILE 89 Cb 0.40 -1.45 0.07 0.00 0.00 0.00 0.00 39.64 38.65 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 -0.15 0.00 -2.07 9.51 4.39 -1.31 -3.35 114.58 121.60 1ri0 h GLU 90 Ca -0.57 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 58.57 1ri0 h GLU 90 Cb 1.82 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 30.06 1ri0 h GLU 90 CO -0.14 0.61 -0.97 0.09 -1.16 0.00 0.00 179.01 177.45 1ri0 n ASN 91 N -3.37 1.57 -4.77 1.42 3.02 0.43 -5.02 115.26 108.55 1ri0 n ASN 91 Ca 0.01 -3.04 -0.40 0.00 -0.03 0.00 0.00 54.58 51.12 1ri0 n ASN 91 Cb 0.73 -0.63 -0.02 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 -2.00 6.66 0.06 6.41 2.20 -1.22 -4.41 114.94 122.64 1ri0 s ASN 92 Ca 0.39 2.64 -0.16 0.00 -0.94 0.00 0.00 52.86 54.79 1ri0 s ASN 92 Cb 0.22 -2.64 -0.21 0.00 -2.00 0.00 0.00 41.25 36.62 1ri0 s ASN 92 CO -0.09 -0.61 1.20 1.55 -2.94 0.00 0.00 177.10 176.22 1ri0 h PRO 93 N 3.16 0.63 -2.15 3.55 0.13 -1.91 -3.40 132.00 132.02 1ri0 h PRO 93 Ca -0.49 -0.60 -0.53 0.00 -0.87 0.00 0.00 66.00 63.51 1ri0 h PRO 93 Cb 1.23 0.15 -0.35 0.00 0.13 0.00 0.00 31.00 32.16 1ri0 h PRO 93 CO 0.65 1.21 -0.92 2.41 -0.23 0.00 0.00 178.00 181.11 1ri0 n THR 94 N -4.03 -1.03 -1.54 1.56 -1.04 -1.26 -5.08 114.28 101.86 1ri0 n THR 94 Ca -0.09 -3.14 -0.34 0.00 -2.04 0.00 0.00 64.05 58.44 1ri0 n THR 94 Cb 0.75 -1.32 -0.06 0.00 -1.82 0.00 0.00 70.33 67.89 1ri0 n THR 94 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1ri0 n VAL 95 N 2.75 -0.06 -0.04 12.58 3.14 -1.26 -4.75 118.33 130.69 1ri0 n VAL 95 Ca 0.28 -0.64 -0.01 0.00 -2.96 0.00 0.00 64.34 61.01 1ri0 n VAL 95 Cb 0.49 -2.30 0.28 0.00 -1.06 0.00 0.00 33.84 31.25 1ri0 n VAL 95 CO 0.00 0.00 0.00 0.07 -6.46 0.00 0.00 176.83 170.44 1ri0 h LYS 96 N 17.47 0.62 -1.95 1.45 2.10 -1.99 -3.39 116.57 130.88 1ri0 h LYS 96 Ca -0.17 -0.12 -0.20 0.00 -2.00 0.00 0.00 60.65 58.15 1ri0 h LYS 96 Cb 1.24 -0.10 -0.31 0.00 -0.90 0.00 0.00 32.23 32.17 1ri0 h LYS 96 CO 1.19 0.59 -0.53 0.00 -2.00 0.00 0.00 179.45 178.70 1ri0 s ALA 97 N -5.10 -0.95 0.94 0.07 0.00 -1.26 -5.15 121.76 110.31 1ri0 s ALA 97 Ca -0.08 0.49 -0.11 0.00 0.00 0.00 0.00 51.96 52.25 1ri0 s ALA 97 Cb 0.16 -1.76 0.15 0.00 0.00 0.00 0.00 23.12 21.67 1ri0 s ALA 97 CO 0.77 -1.45 1.09 0.45 0.00 0.00 0.00 175.76 176.62 1ri0 s SER 98 N 2.50 3.02 0.00 0.00 0.15 -1.26 -5.01 113.70 113.09 1ri0 s SER 98 Ca 0.11 1.63 0.00 0.00 0.70 0.00 0.00 55.95 58.39 1ri0 s SER 98 Cb -0.14 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1ri0 s SER 98 CO -0.22 -2.95 0.37 0.61 1.20 0.00 0.00 173.24 172.26 1ri0 n GLY 99 N -0.59 -1.12 0.00 9.45 0.00 -1.26 -5.15 105.19 106.52 1ri0 n GLY 99 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1ri0 n GLY 99 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30