#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 0.76 0.19 6.12 0.15 -1.26 -5.15 113.70 114.52 1ri0 s SER 2 Ca 0.00 -0.54 -0.17 0.00 0.70 0.00 0.00 55.95 55.94 1ri0 s SER 2 Cb 0.00 0.04 -0.08 0.00 -1.71 0.00 0.00 66.02 64.28 1ri0 s SER 2 CO 0.00 -0.21 0.65 0.00 1.20 0.00 0.00 173.24 174.88 1ri0 s ARG 3 N -1.54 4.14 -0.17 5.44 1.70 -1.26 -5.07 118.95 122.19 1ri0 s ARG 3 Ca -0.11 0.71 -0.02 0.00 -0.47 0.00 0.00 55.73 55.85 1ri0 s ARG 3 Cb -0.10 -2.89 -0.01 0.00 -0.57 0.00 0.00 34.95 31.38 1ri0 s ARG 3 CO 0.00 0.42 -0.09 -1.54 -1.08 0.00 0.00 175.30 173.01 1ri0 s SER 4 N -1.69 4.17 0.76 -2.89 1.04 -1.26 -5.11 113.70 108.73 1ri0 s SER 4 Ca 0.41 -0.34 -0.02 0.00 0.48 0.00 0.00 55.95 56.48 1ri0 s SER 4 Cb -0.16 -1.67 0.03 0.00 0.10 0.00 0.00 66.02 64.32 1ri0 s SER 4 CO 0.20 0.09 0.08 -0.46 0.98 0.00 0.00 173.24 174.13 1ri0 n ASN 5 N 4.02 -1.67 -3.33 7.02 2.04 -1.26 -4.96 115.26 117.11 1ri0 n ASN 5 Ca -0.18 -0.08 -0.26 0.00 -0.44 0.00 0.00 54.58 53.62 1ri0 n ASN 5 Cb 0.52 -0.11 0.23 0.00 -2.53 0.00 0.00 39.78 37.89 1ri0 n ASN 5 CO 0.00 0.00 0.00 -2.11 -0.44 0.00 0.00 177.26 174.71 1ri0 n ARG 6 N -1.63 -3.37 -0.08 -3.83 0.00 -1.26 -5.02 116.66 101.47 1ri0 n ARG 6 Ca 0.01 -1.41 -0.12 0.00 -0.00 0.00 0.00 57.85 56.33 1ri0 n ARG 6 Cb 0.05 -1.47 -0.07 0.00 -0.00 0.00 0.00 32.46 30.98 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 -4.65 0.37 0.00 2.89 0.00 -1.26 -4.93 117.38 109.80 1ri0 n GLN 7 Ca 0.13 0.10 0.00 0.00 0.00 0.00 0.00 57.00 57.23 1ri0 n GLN 7 Cb 0.51 -1.25 0.00 0.00 0.00 0.00 0.00 30.24 29.50 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 -3.10 0.00 -1.55 2.61 -0.00 -1.26 -5.02 118.16 109.83 1ri0 n LYS 8 Ca -0.28 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.71 1ri0 n LYS 8 Cb 0.77 -0.43 -0.04 0.00 -0.00 0.00 0.00 35.03 35.33 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 -1.58 0.94 -4.88 -1.58 0.28 -1.26 -4.91 120.64 107.64 1ri0 n GLU 9 Ca 0.00 -0.14 -0.30 0.00 -0.16 0.00 0.00 57.16 56.56 1ri0 n GLU 9 Cb 0.00 -3.44 -0.17 0.00 1.43 0.00 0.00 31.44 29.26 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 12.58 2.23 0.30 -1.84 1.13 -1.26 -4.74 117.35 125.75 1ri0 s TYR 10 Ca 0.98 -0.95 0.07 0.00 -1.41 0.00 0.00 57.07 55.76 1ri0 s TYR 10 Cb -0.19 -1.53 -0.03 0.00 -1.10 0.00 0.00 41.96 39.11 1ri0 s TYR 10 CO 0.24 -0.42 0.25 0.36 -2.51 0.00 0.00 175.55 173.47 1ri0 n LYS 11 N 3.76 0.37 -1.47 -3.49 -0.00 -1.26 -5.02 118.16 111.06 1ri0 n LYS 11 Ca -0.20 -2.99 -0.54 0.00 -0.00 0.00 0.00 58.31 54.58 1ri0 n LYS 11 Cb 0.52 2.44 -0.06 0.00 -0.00 0.00 0.00 35.03 37.93 1ri0 n LYS 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ri0 n GLY 13 N 1.72 0.44 3.72 0.00 0.00 -1.26 -5.04 105.19 104.77 1ri0 n GLY 13 Ca 0.19 0.00 -0.41 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 -2.25 7.29 -0.04 1.61 -1.08 0.97 -4.91 116.67 118.26 1ri0 s ASP 14 Ca 0.00 1.56 -0.02 0.00 -0.52 0.00 0.00 52.55 53.56 1ri0 s ASP 14 Cb 0.00 -2.53 -0.04 0.00 -1.46 0.00 0.00 42.92 38.90 1ri0 s ASP 14 CO 0.00 -0.15 0.10 -0.76 0.52 0.00 0.00 175.17 174.89 1ri0 s LEU 15 N 0.58 4.05 0.31 -1.34 2.01 -1.26 -1.25 118.68 121.79 1ri0 s LEU 15 Ca 0.46 0.25 -0.18 0.00 0.01 0.00 0.00 54.13 54.67 1ri0 s LEU 15 Cb -0.21 -2.25 0.05 0.00 0.01 0.00 0.00 46.19 43.80 1ri0 s LEU 15 CO 0.26 0.31 0.84 0.68 1.01 0.00 0.00 176.35 179.44 1ri0 s VAL 16 N -1.15 0.00 -0.31 -1.59 -7.23 -0.97 -4.92 120.40 104.24 1ri0 s VAL 16 Ca 0.21 -0.90 -0.17 0.00 -1.81 0.00 0.00 61.98 59.31 1ri0 s VAL 16 Cb -0.12 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 34.14 1ri0 s VAL 16 CO 0.11 0.00 0.47 -0.36 -0.31 0.00 0.00 175.10 175.02 1ri0 s PHE 17 N -2.64 3.22 -0.02 2.82 0.08 -0.84 -1.55 117.98 119.05 1ri0 s PHE 17 Ca 0.16 0.34 -0.20 0.00 0.12 0.00 0.00 56.93 57.34 1ri0 s PHE 17 Cb -0.05 -2.78 -0.05 0.00 -0.57 0.00 0.00 43.02 39.57 1ri0 s PHE 17 CO 0.09 -0.40 0.56 0.00 -0.10 0.00 0.00 175.22 175.37 1ri0 s ALA 18 N 2.28 3.50 -0.14 5.36 0.00 0.14 -1.29 121.76 131.61 1ri0 s ALA 18 Ca 0.18 -0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.13 1ri0 s ALA 18 Cb -0.16 -2.70 0.02 0.00 0.00 0.00 0.00 23.12 20.28 1ri0 s ALA 18 CO 0.11 0.16 -0.15 0.21 0.00 0.00 0.00 175.76 176.10 1ri0 s LYS 19 N -0.14 2.29 0.12 0.00 2.47 -0.42 -1.08 119.74 122.98 1ri0 s LYS 19 Ca 0.30 -0.56 0.05 0.00 -1.56 0.00 0.00 55.97 54.19 1ri0 s LYS 19 Cb -0.18 -2.05 -0.04 0.00 -1.46 0.00 0.00 37.83 34.10 1ri0 s LYS 19 CO 0.16 -0.18 -0.12 1.41 0.16 0.00 0.00 175.35 176.78 1ri0 s MET 20 N 1.33 0.96 0.03 4.03 1.75 -1.00 -4.81 119.30 121.59 1ri0 s MET 20 Ca 0.01 -1.24 -0.33 0.00 -1.25 0.00 0.00 55.69 52.88 1ri0 s MET 20 Cb -0.13 -0.70 -0.12 0.00 2.84 0.00 0.00 34.83 36.72 1ri0 s MET 20 CO -0.08 0.12 1.82 1.17 -0.65 0.00 0.00 175.02 177.40 1ri0 n LYS 21 N 0.41 2.42 0.00 4.11 3.00 -1.26 0.27 118.16 127.12 1ri0 n LYS 21 Ca -0.15 0.88 0.00 0.00 -0.00 0.00 0.00 58.31 59.05 1ri0 n LYS 21 Cb 0.58 -2.74 0.00 0.00 0.00 0.00 0.00 35.03 32.87 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 4.18 3.04 3.37 3.14 0.00 -1.26 -4.99 105.19 112.67 1ri0 n GLY 22 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.75 2.98 0.63 1.61 5.04 0.14 -5.10 117.35 120.89 1ri0 s TYR 23 Ca 0.00 -0.72 -0.14 0.00 -2.44 0.00 0.00 57.07 53.77 1ri0 s TYR 23 Cb 0.00 -2.09 -0.02 0.00 0.35 0.00 0.00 41.96 40.20 1ri0 s TYR 23 CO 0.00 -0.41 1.05 -1.25 -1.34 0.00 0.00 175.55 173.60 1ri0 s PRO 24 N 1.24 3.21 -0.47 4.97 0.04 -1.26 -2.36 135.00 140.37 1ri0 s PRO 24 Ca 0.03 1.08 -0.44 0.00 0.04 0.00 0.00 61.00 61.71 1ri0 s PRO 24 Cb -0.14 -2.02 -0.18 0.00 0.04 0.00 0.00 34.50 32.19 1ri0 s PRO 24 CO -0.00 -0.89 1.93 0.72 0.04 0.00 0.00 177.00 178.79 1ri0 n HIS 25 N -2.46 1.48 -4.29 0.56 8.25 -1.26 -4.76 115.22 112.74 1ri0 n HIS 25 Ca 0.08 0.83 -0.21 0.00 -0.26 0.00 0.00 57.72 58.16 1ri0 n HIS 25 Cb 0.53 -2.31 -0.12 0.00 1.12 0.00 0.00 29.99 29.22 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 4.90 1.69 -0.60 4.41 -0.11 -0.24 -4.56 118.94 124.43 1ri0 s TRP 26 Ca 1.12 -0.47 -0.27 0.00 1.22 0.00 0.00 56.10 57.70 1ri0 s TRP 26 Cb -1.41 -0.88 0.01 0.00 -1.50 0.00 0.00 33.47 29.69 1ri0 s TRP 26 CO 0.70 0.24 1.52 -1.25 -4.62 0.00 0.00 176.95 173.54 1ri0 s PRO 27 N -2.45 3.10 0.10 5.86 0.04 -1.26 0.25 135.00 140.64 1ri0 s PRO 27 Ca 0.11 0.39 0.10 0.00 0.04 0.00 0.00 61.00 61.63 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 0.05 -2.19 -0.25 0.00 0.04 0.00 0.00 177.00 174.66 1ri0 s ALA 28 N 6.81 2.15 0.20 8.56 0.00 -0.59 -2.02 121.76 136.87 1ri0 s ALA 28 Ca 0.54 -1.33 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 1ri0 s ALA 28 Cb -0.11 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1ri0 s ALA 28 CO 0.22 0.48 0.41 -0.98 0.00 0.00 0.00 175.76 175.89 1ri0 s ARG 29 N -1.77 3.54 0.35 0.00 1.70 0.20 -2.28 118.95 120.69 1ri0 s ARG 29 Ca 0.11 -0.27 -0.24 0.00 -0.47 0.00 0.00 55.73 54.86 1ri0 s ARG 29 Cb -0.10 -2.82 -0.10 0.00 -0.57 0.00 0.00 34.95 31.36 1ri0 s ARG 29 CO 0.04 0.39 0.93 -1.50 -1.08 0.00 0.00 175.30 174.08 1ri0 s ILE 30 N -1.86 4.30 0.01 4.99 -1.16 -0.38 -1.19 121.20 125.90 1ri0 s ILE 30 Ca 0.39 1.67 -0.12 0.00 -0.51 0.00 0.00 60.65 62.08 1ri0 s ILE 30 Cb -0.11 -3.87 0.02 0.00 0.61 0.00 0.00 42.46 39.11 1ri0 s ILE 30 CO 0.29 0.00 0.26 -1.81 -2.81 0.00 0.00 174.94 170.87 1ri0 s ASP 31 N -1.80 -0.10 0.16 4.50 1.11 0.54 -3.98 116.67 117.09 1ri0 s ASP 31 Ca 0.53 -0.12 0.06 0.00 0.18 0.00 0.00 52.55 53.20 1ri0 s ASP 31 Cb -0.15 0.30 -0.04 0.00 1.07 0.00 0.00 42.92 44.10 1ri0 s ASP 31 CO 0.20 -0.50 0.05 -1.83 1.18 0.00 0.00 175.17 174.27 1ri0 s GLU 32 N -1.91 2.61 -0.35 8.23 -1.05 -1.26 -0.31 118.70 124.67 1ri0 s GLU 32 Ca -0.10 -0.98 -0.27 0.00 -0.15 0.00 0.00 54.97 53.47 1ri0 s GLU 32 Cb -0.04 -2.49 0.02 0.00 -0.44 0.00 0.00 34.13 31.18 1ri0 s GLU 32 CO 0.00 0.48 0.99 -1.64 0.95 0.00 0.00 175.26 176.04 1ri0 s MET 33 N -2.90 3.95 0.89 -4.83 -1.94 -1.26 -4.79 119.30 108.41 1ri0 s MET 33 Ca 0.29 0.80 -0.12 0.00 -1.71 0.00 0.00 55.69 54.95 1ri0 s MET 33 Cb -0.10 -3.77 0.13 0.00 2.01 0.00 0.00 34.83 33.10 1ri0 s MET 33 CO 0.20 -0.92 1.13 -1.25 -0.01 0.00 0.00 175.02 174.17 1ri0 s PRO 34 N 3.56 1.28 -0.09 2.03 0.04 -1.26 -5.02 135.00 135.54 1ri0 s PRO 34 Ca 0.41 0.34 0.22 0.00 0.04 0.00 0.00 61.00 62.02 1ri0 s PRO 34 Cb -0.12 -1.85 0.42 0.00 0.04 0.00 0.00 34.50 32.99 1ri0 s PRO 34 CO 0.17 -2.11 1.15 -0.85 0.04 0.00 0.00 177.00 175.41 1ri0 n GLU 35 N -3.72 0.58 0.00 4.56 0.28 -1.26 -4.53 120.64 116.56 1ri0 n GLU 35 Ca 0.07 -2.34 0.00 0.00 -0.16 0.00 0.00 57.16 54.72 1ri0 n GLU 35 Cb 0.59 -0.43 0.00 0.00 1.43 0.00 0.00 31.44 33.03 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 0.04 0.00 -0.23 -1.84 0.00 -1.26 -4.61 120.51 112.60 1ri0 n ALA 36 Ca 0.03 -0.24 0.03 0.00 0.00 0.00 0.00 53.44 53.25 1ri0 n ALA 36 Cb 1.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.59 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 -2.00 0.93 -2.41 0.00 0.00 -2.04 -3.43 119.26 110.30 1ri0 h ALA 37 Ca 0.00 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1ri0 h ALA 37 Cb 0.00 0.07 -0.14 0.00 0.00 0.00 0.00 17.79 17.72 1ri0 h ALA 37 CO 0.00 -0.19 -0.55 0.14 0.00 0.00 0.00 179.25 178.65 1ri0 s VAL 38 N -6.06 0.15 -0.44 0.00 -7.23 -1.26 -5.12 120.40 100.44 1ri0 s VAL 38 Ca -0.13 -1.64 -0.09 0.00 -1.81 0.00 0.00 61.98 58.31 1ri0 s VAL 38 Cb 0.19 -1.68 0.09 0.00 0.56 0.00 0.00 36.38 35.54 1ri0 s VAL 38 CO 0.75 -0.66 0.29 -0.54 -0.31 0.00 0.00 175.10 174.64 1ri0 s LYS 39 N -3.95 2.55 0.38 4.82 1.02 -1.26 -3.99 119.74 119.31 1ri0 s LYS 39 Ca 0.13 -1.58 0.08 0.00 0.02 0.00 0.00 55.97 54.61 1ri0 s LYS 39 Cb 0.06 -3.84 -0.03 0.00 -0.52 0.00 0.00 37.83 33.51 1ri0 s LYS 39 CO -0.05 -1.05 0.31 -1.12 -0.92 0.00 0.00 175.35 172.52 1ri0 s SER 40 N 2.33 5.02 -0.17 2.83 0.01 -1.26 -5.09 113.70 117.37 1ri0 s SER 40 Ca 0.04 -0.71 -0.23 0.00 1.31 0.00 0.00 55.95 56.36 1ri0 s SER 40 Cb -0.24 -0.69 -0.02 0.00 0.21 0.00 0.00 66.02 65.27 1ri0 s SER 40 CO 0.01 -0.52 0.75 0.42 0.41 0.00 0.00 173.24 174.31 1ri0 s THR 41 N -2.43 4.95 -0.20 1.44 -4.23 -1.26 -5.01 115.64 108.90 1ri0 s THR 41 Ca 0.44 1.45 -0.25 0.00 -1.18 0.00 0.00 61.69 62.16 1ri0 s THR 41 Cb -0.03 -4.06 -0.01 0.00 1.34 0.00 0.00 72.50 69.74 1ri0 s THR 41 CO 0.26 0.08 0.82 0.00 -0.54 0.00 0.00 174.62 175.24 1ri0 s ALA 42 N 1.94 3.57 0.00 3.99 0.00 -1.26 -4.64 121.76 125.36 1ri0 s ALA 42 Ca 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.26 1ri0 s ALA 42 Cb -0.16 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1ri0 s ALA 42 CO 0.12 -0.75 0.00 0.09 0.00 0.00 0.00 175.76 175.23 1ri0 n ASN 43 N 5.51 0.00 -5.00 0.00 3.02 -1.26 -5.14 115.26 112.38 1ri0 n ASN 43 Ca 0.04 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.38 1ri0 n ASN 43 Cb 0.48 0.15 0.05 0.00 -0.61 0.00 0.00 39.78 39.85 1ri0 n ASN 43 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1ri0 s LYS 44 N -1.36 2.29 0.14 3.52 0.00 -1.26 -5.13 119.74 117.94 1ri0 s LYS 44 Ca 0.00 -1.74 0.07 0.00 0.00 0.00 0.00 55.97 54.30 1ri0 s LYS 44 Cb 0.00 -2.51 -0.04 0.00 0.00 0.00 0.00 37.83 35.28 1ri0 s LYS 44 CO 0.00 -0.81 -0.05 0.71 0.00 0.00 0.00 175.35 175.20 1ri0 s TYR 45 N -2.70 2.80 0.05 1.78 1.51 -0.53 -4.80 117.35 115.45 1ri0 s TYR 45 Ca 0.55 -0.14 -0.20 0.00 -1.01 0.00 0.00 57.07 56.27 1ri0 s TYR 45 Cb -0.05 -1.41 -0.06 0.00 -0.11 0.00 0.00 41.96 40.33 1ri0 s TYR 45 CO 0.35 0.48 0.58 -1.14 -1.11 0.00 0.00 175.55 174.70 1ri0 s GLN 46 N -2.58 4.24 -0.01 -0.62 0.74 0.58 -1.22 119.66 120.79 1ri0 s GLN 46 Ca 0.25 0.73 0.05 0.00 0.05 0.00 0.00 55.36 56.44 1ri0 s GLN 46 Cb -0.10 -3.27 -0.01 0.00 1.10 0.00 0.00 33.01 30.72 1ri0 s GLN 46 CO 0.16 0.55 -0.15 0.54 -0.55 0.00 0.00 175.29 175.84 1ri0 s VAL 47 N -0.81 1.20 -0.21 1.34 0.11 -0.31 -0.34 120.40 121.38 1ri0 s VAL 47 Ca 0.30 -0.69 -0.02 0.00 -2.93 0.00 0.00 61.98 58.64 1ri0 s VAL 47 Cb -0.19 -1.01 0.06 0.00 -1.53 0.00 0.00 36.38 33.71 1ri0 s VAL 47 CO 0.18 0.31 0.01 0.12 -3.33 0.00 0.00 175.10 172.39 1ri0 s PHE 48 N -0.40 1.45 -0.21 1.54 2.19 -0.34 -1.00 117.98 121.21 1ri0 s PHE 48 Ca 0.06 -1.15 -0.28 0.00 0.33 0.00 0.00 56.93 55.89 1ri0 s PHE 48 Cb -0.06 -1.21 0.00 0.00 -1.31 0.00 0.00 43.02 40.45 1ri0 s PHE 48 CO -0.00 -0.67 0.99 -0.06 1.83 0.00 0.00 175.22 177.31 1ri0 s PHE 49 N 1.71 3.36 -0.03 10.12 0.40 0.14 0.61 117.98 134.30 1ri0 s PHE 49 Ca -0.02 1.42 -0.18 0.00 -0.60 0.00 0.00 56.93 57.55 1ri0 s PHE 49 Cb -0.18 -3.21 -0.11 0.00 0.51 0.00 0.00 43.02 40.03 1ri0 s PHE 49 CO -0.08 -0.42 0.77 0.74 0.70 0.00 0.00 175.22 176.93 1ri0 h PHE 50 N 7.43 -0.47 -1.00 0.36 0.04 -1.69 1.51 116.94 123.14 1ri0 h PHE 50 Ca -0.22 -0.01 0.13 0.00 2.80 0.00 0.00 57.97 60.67 1ri0 h PHE 50 Cb 1.08 0.15 -0.15 0.00 2.20 0.00 0.00 35.95 39.24 1ri0 h PHE 50 CO 0.74 -0.20 -0.46 0.41 -0.60 0.00 0.00 178.31 178.21 1ri0 n GLY 51 N 0.30 -2.23 0.07 -1.45 0.00 -1.25 -0.21 105.19 100.42 1ri0 n GLY 51 Ca -0.08 1.14 -0.09 0.00 0.00 0.00 0.00 46.02 46.99 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 1.55 -2.00 2.61 1.35 -1.86 -3.45 112.91 111.11 1ri0 h THR 52 Ca 0.28 -3.25 -0.11 0.00 -0.55 0.00 0.00 66.41 62.78 1ri0 h THR 52 Cb 0.53 2.81 0.03 0.00 -1.73 0.00 0.00 68.15 69.79 1ri0 h THR 52 CO -0.97 0.90 -0.18 1.57 -0.25 0.00 0.00 175.52 176.59 1ri0 n HIS 53 N -3.35 -0.68 -4.72 4.73 -0.00 0.50 -5.05 115.22 106.66 1ri0 n HIS 53 Ca -0.04 0.22 -0.32 0.00 0.46 0.00 0.00 57.72 58.04 1ri0 n HIS 53 Cb 0.97 -2.04 -0.08 0.00 -0.12 0.00 0.00 29.99 28.72 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 -5.13 2.15 0.06 1.57 2.02 -0.22 -4.93 118.70 114.22 1ri0 s GLU 54 Ca 0.13 -2.36 0.03 0.00 0.02 0.00 0.00 54.97 52.79 1ri0 s GLU 54 Cb -0.06 -1.41 -0.03 0.00 0.10 0.00 0.00 34.13 32.74 1ri0 s GLU 54 CO 0.16 -0.36 -0.10 0.99 0.02 0.00 0.00 175.26 175.96 1ri0 s THR 55 N -2.92 0.76 0.29 3.63 2.01 -1.26 0.28 115.64 118.43 1ri0 s THR 55 Ca 0.10 -1.23 -0.17 0.00 0.31 0.00 0.00 61.69 60.70 1ri0 s THR 55 Cb 0.02 -0.85 0.02 0.00 0.01 0.00 0.00 72.50 71.69 1ri0 s THR 55 CO 0.05 -0.37 0.64 0.00 -0.69 0.00 0.00 174.62 174.26 1ri0 s ALA 56 N -1.52 -0.73 -0.49 7.40 0.00 -0.17 -4.99 121.76 121.26 1ri0 s ALA 56 Ca -0.05 -0.63 -0.17 0.00 0.00 0.00 0.00 51.96 51.11 1ri0 s ALA 56 Cb -0.09 0.91 0.07 0.00 0.00 0.00 0.00 23.12 24.01 1ri0 s ALA 56 CO 0.01 -0.96 0.51 -0.59 0.00 0.00 0.00 175.76 174.73 1ri0 s PHE 57 N -3.65 3.15 0.37 0.00 -0.71 -1.26 -1.17 117.98 114.71 1ri0 s PHE 57 Ca 0.16 -0.74 0.04 0.00 -1.04 0.00 0.00 56.93 55.36 1ri0 s PHE 57 Cb -0.04 -3.35 -0.03 0.00 -1.21 0.00 0.00 43.02 38.39 1ri0 s PHE 57 CO 0.09 -0.91 0.17 -0.51 -1.34 0.00 0.00 175.22 172.72 1ri0 s LEU 58 N 2.12 1.88 0.00 -1.99 1.02 -0.35 -4.94 118.68 116.41 1ri0 s LEU 58 Ca 0.09 -1.67 0.00 0.00 0.02 0.00 0.00 54.13 52.57 1ri0 s LEU 58 Cb -0.22 0.11 0.00 0.00 0.02 0.00 0.00 46.19 46.10 1ri0 s LEU 58 CO 0.09 -0.96 0.00 0.61 0.02 0.00 0.00 176.35 176.12 1ri0 n GLY 59 N -0.78 6.05 0.14 -3.19 0.00 -1.26 -1.46 105.19 104.69 1ri0 n GLY 59 Ca -0.01 -1.62 0.01 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.28 1.61 0.13 -1.97 -2.72 132.00 128.76 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 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ri0 h PRO 60 CO 0.00 0.58 -0.27 0.87 -0.23 0.00 0.00 178.00 178.95 1ri0 h LYS 61 N 0.00 0.68 0.00 0.86 1.79 -2.01 -2.32 116.57 115.57 1ri0 h LYS 61 Ca -0.01 -0.36 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 1ri0 h LYS 61 Cb 1.20 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 1ri0 h LYS 61 CO 0.08 0.97 0.00 -0.25 -1.08 0.00 0.00 179.45 179.16 1ri0 n ASP 62 N -4.29 0.00 -4.25 0.86 8.00 -1.20 -4.49 116.55 111.18 1ri0 n ASP 62 Ca -0.04 0.34 -0.35 0.00 0.71 0.00 0.00 54.79 55.45 1ri0 n ASP 62 Cb 0.46 -0.43 -0.14 0.00 -0.02 0.00 0.00 41.12 40.99 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 -2.86 3.28 -0.06 0.64 1.43 -0.87 -1.30 118.68 118.94 1ri0 s LEU 63 Ca 0.13 -0.75 -0.03 0.00 -1.03 0.00 0.00 54.13 52.45 1ri0 s LEU 63 Cb 0.13 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 1ri0 s LEU 63 CO 0.34 -0.12 0.09 -0.36 0.23 0.00 0.00 176.35 176.53 1ri0 s PHE 64 N 1.39 3.38 0.83 0.29 0.40 -0.41 -4.78 117.98 119.08 1ri0 s PHE 64 Ca 0.02 0.32 -0.12 0.00 -0.60 0.00 0.00 56.93 56.55 1ri0 s PHE 64 Cb -0.16 -1.82 0.09 0.00 0.51 0.00 0.00 43.02 41.64 1ri0 s PHE 64 CO -0.03 0.60 1.11 -1.25 0.70 0.00 0.00 175.22 176.35 1ri0 s PRO 65 N -1.34 1.78 0.02 0.24 0.04 -1.26 -1.98 135.00 132.50 1ri0 s PRO 65 Ca 0.19 0.52 -0.09 0.00 0.04 0.00 0.00 61.00 61.66 1ri0 s PRO 65 Cb -0.12 -1.89 -0.31 0.00 0.04 0.00 0.00 34.50 32.21 1ri0 s PRO 65 CO 0.09 -1.81 0.95 -0.92 0.04 0.00 0.00 177.00 175.35 1ri0 h TYR 66 N -1.22 0.71 -0.26 0.56 5.03 -1.98 -2.81 116.97 117.00 1ri0 h TYR 66 Ca -0.48 -0.51 0.05 0.00 2.58 0.00 0.00 58.73 60.37 1ri0 h TYR 66 Cb 1.29 -0.03 -0.05 0.00 1.55 0.00 0.00 36.73 39.49 1ri0 h TYR 66 CO 0.41 1.47 -0.06 0.93 -1.32 0.00 0.00 178.16 179.59 1ri0 h GLU 67 N 0.11 0.00 -0.17 1.82 3.07 -1.98 0.71 114.58 118.14 1ri0 h GLU 67 Ca -0.24 -0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.51 1ri0 h GLU 67 Cb 2.08 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.98 1ri0 h GLU 67 CO 0.22 0.00 -0.38 1.49 -1.40 0.00 0.00 179.01 178.94 1ri0 h GLU 68 N 0.00 0.37 0.28 2.33 4.81 -1.98 -0.77 114.58 119.63 1ri0 h GLU 68 Ca 0.13 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1ri0 h GLU 68 Cb 0.19 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1ri0 h GLU 68 CO -0.27 0.70 -0.13 0.66 -0.73 0.00 0.00 179.01 179.24 1ri0 h SER 69 N 0.31 -0.31 0.56 1.04 4.64 -0.96 -2.25 113.55 116.58 1ri0 h SER 69 Ca 0.03 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1ri0 h SER 69 Cb 0.82 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1ri0 h SER 69 CO 0.07 -0.02 0.00 0.07 -0.87 0.00 0.00 176.83 176.07 1ri0 h LYS 70 N -0.62 0.00 -0.04 4.77 2.10 0.42 0.44 116.57 123.64 1ri0 h LYS 70 Ca -0.04 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.60 1ri0 h LYS 70 Cb 0.44 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.77 1ri0 h LYS 70 CO 0.06 0.00 -0.02 0.93 -2.00 0.00 0.00 179.45 178.42 1ri0 h GLU 71 N 0.00 0.09 0.00 0.07 5.08 -0.56 -3.42 114.58 115.83 1ri0 h GLU 71 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1ri0 h GLU 71 Cb 0.28 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1ri0 h GLU 71 CO 0.00 0.49 -0.07 1.17 -1.00 0.00 0.00 179.01 179.59 1ri0 n LYS 72 N -4.82 0.04 0.00 2.33 3.00 -0.96 -5.08 118.16 112.68 1ri0 n LYS 72 Ca -0.08 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 1ri0 n LYS 72 Cb 0.25 -0.47 0.00 0.00 0.00 0.00 0.00 35.03 34.80 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 -2.67 0.00 -0.98 5.64 3.01 0.14 -5.00 117.46 117.59 1ri0 n PHE 73 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1ri0 n PHE 73 Cb 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.51 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 1.93 0.33 3.10 1.37 0.00 -0.22 -3.88 105.19 107.83 1ri0 n GLY 74 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.73 2.21 1.00 1.61 -0.14 -1.26 -4.87 119.74 117.55 1ri0 s LYS 75 Ca 0.00 -2.16 -0.15 0.00 -1.36 0.00 0.00 55.97 52.30 1ri0 s LYS 75 Cb 0.00 -3.61 0.19 0.00 -1.68 0.00 0.00 37.83 32.73 1ri0 s LYS 75 CO 0.00 -1.11 1.18 -1.25 -0.76 0.00 0.00 175.35 173.41 1ri0 s PRO 76 N 0.55 0.43 0.11 -1.68 0.04 -1.26 -4.92 135.00 128.27 1ri0 s PRO 76 Ca 0.12 0.02 -0.36 0.00 0.04 0.00 0.00 61.00 60.83 1ri0 s PRO 76 Cb -0.22 -1.78 -0.16 0.00 0.04 0.00 0.00 34.50 32.38 1ri0 s PRO 76 CO -0.04 -2.63 1.36 0.09 0.04 0.00 0.00 177.00 175.83 1ri0 n ASN 77 N -4.01 1.89 -4.52 6.66 3.02 -1.26 -4.83 115.26 112.20 1ri0 n ASN 77 Ca 0.10 1.12 -0.42 0.00 -0.03 0.00 0.00 54.58 55.35 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 0.44 3.71 0.27 3.52 2.47 -1.26 -4.84 119.74 124.05 1ri0 s LYS 78 Ca 0.82 -1.58 0.05 0.00 -1.56 0.00 0.00 55.97 53.70 1ri0 s LYS 78 Cb -0.89 -5.24 0.05 0.00 -1.46 0.00 0.00 37.83 30.28 1ri0 s LYS 78 CO 0.46 -2.06 0.38 0.54 0.16 0.00 0.00 175.35 174.83 1ri0 n ARG 79 N 7.87 0.81 -0.01 4.03 5.12 -1.26 -4.96 116.66 128.26 1ri0 n ARG 79 Ca 0.34 -1.47 -0.13 0.00 -1.93 0.00 0.00 57.85 54.66 1ri0 n ARG 79 Cb 0.49 -0.11 -0.10 0.00 -1.16 0.00 0.00 32.46 31.58 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 0.01 0.00 5.56 3.11 -2.01 -2.55 116.57 120.70 1ri0 h LYS 80 Ca -0.13 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.71 1ri0 h LYS 80 Cb 0.59 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.82 1ri0 h LYS 80 CO 0.18 0.45 0.00 0.41 -2.81 0.00 0.00 179.45 177.68 1ri0 n GLY 81 N 0.09 -0.97 0.12 5.01 0.00 -1.26 -2.63 105.19 105.55 1ri0 n GLY 81 Ca -0.08 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 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 0.49 0.39 1.61 3.04 -1.80 -0.67 116.94 120.00 1ri0 h PHE 82 Ca 0.00 -0.36 -0.02 0.00 3.98 0.00 0.00 57.97 61.57 1ri0 h PHE 82 Cb 0.23 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.73 1ri0 h PHE 82 CO 0.00 1.37 -0.19 1.03 -2.02 0.00 0.00 178.31 178.50 1ri0 h SER 83 N -0.38 -0.44 0.80 0.41 0.87 -1.24 0.18 113.55 113.74 1ri0 h SER 83 Ca -0.19 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.21 1ri0 h SER 83 Cb 1.65 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 63.72 1ri0 h SER 83 CO 0.12 -0.06 -0.14 1.05 -0.53 0.00 0.00 176.83 177.26 1ri0 h GLU 84 N -0.89 0.00 0.21 2.24 4.11 -1.68 -2.08 114.58 116.50 1ri0 h GLU 84 Ca -0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 1ri0 h GLU 84 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1ri0 h GLU 84 CO 0.09 0.14 -0.10 0.78 0.07 0.00 0.00 179.01 179.99 1ri0 h GLY 85 N 1.74 -0.29 1.73 1.06 0.00 -1.00 0.40 103.07 106.71 1ri0 h GLY 85 Ca -0.00 0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.47 1ri0 h GLY 85 CO 0.02 -0.11 0.10 -2.00 0.00 0.00 0.00 176.54 174.55 1ri0 h LEU 86 N -0.99 0.00 0.00 3.11 7.12 -0.63 0.55 115.31 124.47 1ri0 h LEU 86 Ca -0.03 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 57.93 1ri0 h LEU 86 Cb 0.42 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.54 1ri0 h LEU 86 CO 0.05 0.00 -0.82 -0.25 -0.13 0.00 0.00 178.44 177.29 1ri0 h TRP 87 N 0.00 0.00 0.00 1.25 2.91 -1.39 -1.96 115.95 116.76 1ri0 h TRP 87 Ca 0.06 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.03 1ri0 h TRP 87 Cb 0.26 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.90 1ri0 h TRP 87 CO 0.00 0.21 -0.22 0.93 -1.03 0.00 0.00 178.44 178.33 1ri0 h GLU 88 N 0.00 0.00 0.02 2.65 4.39 0.46 1.50 114.58 123.60 1ri0 h GLU 88 Ca -0.04 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.27 1ri0 h GLU 88 Cb 1.19 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.78 1ri0 h GLU 88 CO 0.02 0.22 -2.33 1.51 -1.16 0.00 0.00 179.01 177.27 1ri0 n ILE 89 N -3.43 1.55 0.12 3.13 0.00 -0.68 -3.14 119.36 116.91 1ri0 n ILE 89 Ca -0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 62.75 62.24 1ri0 n ILE 89 Cb 0.41 -1.65 0.10 0.00 0.00 0.00 0.00 39.64 38.49 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 -0.37 0.00 -2.06 9.51 4.39 -1.36 -3.35 114.58 121.35 1ri0 h GLU 90 Ca -0.58 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 58.56 1ri0 h GLU 90 Cb 1.79 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 30.04 1ri0 h GLU 90 CO -0.17 0.70 -0.97 0.09 -1.16 0.00 0.00 179.01 177.50 1ri0 n ASN 91 N -3.63 1.33 -4.72 1.42 3.02 0.51 -5.03 115.26 108.16 1ri0 n ASN 91 Ca -0.01 -2.96 -0.42 0.00 -0.03 0.00 0.00 54.58 51.17 1ri0 n ASN 91 Cb 0.70 -0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 39.20 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 -1.73 6.88 0.17 6.41 2.20 -1.19 -4.35 114.94 123.34 1ri0 s ASN 92 Ca 0.37 2.29 0.01 0.00 -0.94 0.00 0.00 52.86 54.59 1ri0 s ASN 92 Cb 0.19 -2.59 0.02 0.00 -2.00 0.00 0.00 41.25 36.87 1ri0 s ASN 92 CO -0.08 -0.60 1.40 1.55 -2.94 0.00 0.00 177.10 176.43 1ri0 h PRO 93 N 6.53 0.29 -3.06 3.55 0.13 -1.89 -3.38 132.00 134.16 1ri0 h PRO 93 Ca -0.42 -0.28 -0.62 0.00 -0.87 0.00 0.00 66.00 63.81 1ri0 h PRO 93 Cb 1.21 0.07 -0.41 0.00 0.13 0.00 0.00 31.00 32.01 1ri0 h PRO 93 CO 0.84 0.96 -0.69 -0.08 -0.23 0.00 0.00 178.00 178.80 1ri0 s THR 94 N -3.37 1.96 0.82 1.56 -1.32 -1.26 -5.10 115.64 108.93 1ri0 s THR 94 Ca -0.04 -3.16 -0.14 0.00 -1.21 0.00 0.00 61.69 57.14 1ri0 s THR 94 Cb 0.10 -2.34 0.20 0.00 -1.51 0.00 0.00 72.50 68.94 1ri0 s THR 94 CO 0.83 -0.93 0.95 0.55 -2.21 0.00 0.00 174.62 173.82 1ri0 n VAL 95 N 3.01 0.00 0.00 5.08 3.14 -1.26 -4.98 118.33 123.31 1ri0 n VAL 95 Ca 0.12 -0.60 0.00 0.00 -2.96 0.00 0.00 64.34 60.90 1ri0 n VAL 95 Cb 0.35 -1.45 0.00 0.00 -1.06 0.00 0.00 33.84 31.68 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 -3.51 0.00 -2.70 1.45 -0.00 -1.26 -5.08 118.16 107.06 1ri0 n LYS 96 Ca 0.12 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 58.01 1ri0 n LYS 96 Cb 0.45 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.45 1ri0 n LYS 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ri0 s ALA 97 N -1.37 3.13 0.56 0.58 0.00 -1.26 -4.83 121.76 118.58 1ri0 s ALA 97 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1ri0 s ALA 97 Cb 0.00 -3.84 0.00 0.00 0.00 0.00 0.00 23.12 19.28 1ri0 s ALA 97 CO 0.00 -2.35 0.00 0.43 0.00 0.00 0.00 175.76 173.84 1ri0 n SER 98 N 7.77 -7.04 0.00 0.00 7.64 -1.26 -5.02 113.62 115.71 1ri0 n SER 98 Ca 0.07 1.31 0.00 0.00 1.01 0.00 0.00 58.87 61.26 1ri0 n SER 98 Cb 0.49 -4.45 0.00 0.00 -1.01 0.00 0.00 64.21 59.24 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 -4.10 4.14 0.89 0.23 0.00 -1.26 -5.03 105.19 100.05 1ri0 n GLY 99 Ca -0.08 -2.02 0.11 0.00 0.00 0.00 0.00 46.02 44.03 1ri0 n GLY 99 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30