#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrp n GLU 2 N 0.00 0.00 0.00 2.12 2.13 -1.26 -4.93 120.64 118.69 2jrp n GLU 2 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2jrp n GLU 2 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2jrp n GLU 2 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2jrp n ILE 3 N -2.08 0.00 -1.52 6.31 5.41 -1.26 -2.79 119.36 123.43 2jrp n ILE 3 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2jrp n ILE 3 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 2jrp n ILE 3 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2jrp n THR 4 N 0.00 -5.07 -3.21 1.39 -2.24 -1.26 -4.96 114.28 98.94 2jrp n THR 4 Ca 0.00 2.26 -0.37 0.00 -2.27 0.00 0.00 64.05 63.67 2jrp n THR 4 Cb 0.00 -3.11 -0.06 0.00 -2.10 0.00 0.00 70.33 65.07 2jrp n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jrp h PRO 6 N 3.95 0.55 -6.19 0.00 0.13 -1.94 -3.21 132.00 125.31 2jrp h PRO 6 Ca -0.49 -0.03 -0.55 0.00 -0.87 0.00 0.00 66.00 64.06 2jrp h PRO 6 Cb 1.20 -0.13 -0.09 0.00 0.13 0.00 0.00 31.00 32.12 2jrp h PRO 6 CO 0.65 0.37 -0.62 0.14 -0.23 0.00 0.00 178.00 178.30 2jrp s VAL 7 N -5.54 3.45 -1.54 1.56 -7.23 -1.26 -4.62 120.40 105.21 2jrp s VAL 7 Ca -0.09 -1.86 -0.01 0.00 -1.81 0.00 0.00 61.98 58.21 2jrp s VAL 7 Cb 0.21 -2.89 0.01 0.00 0.56 0.00 0.00 36.38 34.26 2jrp s VAL 7 CO 0.77 -0.35 0.10 0.00 -0.31 0.00 0.00 175.10 175.31 2jrp n HIS 9 N -4.53 0.00 0.00 0.00 -0.00 -1.21 -4.59 115.22 104.88 2jrp n HIS 9 Ca -0.30 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.88 2jrp n HIS 9 Cb 0.69 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.56 2jrp n HIS 9 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jrp n HIS 10 N 0.00 0.00 -3.84 1.57 -0.00 -1.26 -4.11 115.22 107.58 2jrp n HIS 10 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.63 2jrp n HIS 10 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 29.95 2jrp n HIS 10 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2jrp s ALA 11 N -1.00 -0.83 0.05 1.57 0.00 -1.26 -4.83 121.76 115.46 2jrp s ALA 11 Ca 0.00 -0.42 0.06 0.00 0.00 0.00 0.00 51.96 51.60 2jrp s ALA 11 Cb 0.00 0.91 -0.02 0.00 0.00 0.00 0.00 23.12 24.01 2jrp s ALA 11 CO 0.00 -0.88 -0.17 -0.51 0.00 0.00 0.00 175.76 174.20 2jrp s LEU 12 N -2.92 2.19 -0.01 0.00 1.43 -1.12 -2.99 118.68 115.26 2jrp s LEU 12 Ca 0.13 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 2jrp s LEU 12 Cb -0.02 -0.72 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 2jrp s LEU 12 CO 0.03 0.06 -0.01 -0.70 0.23 0.00 0.00 176.35 175.96 2jrp s GLU 13 N -1.28 2.76 -0.69 1.70 2.12 0.88 -4.72 118.70 119.47 2jrp s GLU 13 Ca 0.03 -0.61 -0.26 0.00 0.36 0.00 0.00 54.97 54.50 2jrp s GLU 13 Cb -0.09 -2.65 0.04 0.00 0.26 0.00 0.00 34.13 31.70 2jrp s GLU 13 CO 0.02 0.63 1.16 1.03 -0.54 0.00 0.00 175.26 177.55 2jrp s ARG 14 N -1.45 3.21 -0.93 4.30 1.81 -1.26 -0.38 118.95 124.25 2jrp s ARG 14 Ca 0.18 -0.37 -0.05 0.00 -1.72 0.00 0.00 55.73 53.77 2jrp s ARG 14 Cb -0.11 -4.17 0.04 0.00 -0.45 0.00 0.00 34.95 30.26 2jrp s ARG 14 CO 0.09 -1.96 2.69 -1.71 -0.68 0.00 0.00 175.30 173.73 2jrp n ASN 15 N 8.67 7.32 0.00 0.23 4.05 0.24 -4.92 115.26 130.85 2jrp n ASN 15 Ca 0.01 -3.05 0.00 0.00 0.45 0.00 0.00 54.58 51.99 2jrp n ASN 15 Cb 0.48 -1.34 0.00 0.00 1.23 0.00 0.00 39.78 40.15 2jrp n ASN 15 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2jrp n GLY 16 N 1.67 1.49 0.10 8.20 0.00 -1.26 -2.09 105.19 113.29 2jrp n GLY 16 Ca 0.58 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.78 2jrp n GLY 16 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2jrp h ASP 17 N 0.00 0.00 -2.08 1.61 2.03 -1.99 -3.46 116.42 112.52 2jrp h ASP 17 Ca 0.00 -0.09 -0.52 0.00 -0.73 0.00 0.00 57.03 55.69 2jrp h ASP 17 Cb 0.00 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.44 2jrp h ASP 17 CO 0.00 0.04 -0.54 -0.89 -1.03 0.00 0.00 179.24 176.83 2jrp s THR 18 N -3.14 3.83 -0.32 1.15 2.01 -0.89 -4.48 115.64 113.80 2jrp s THR 18 Ca 0.08 -1.56 -0.05 0.00 0.31 0.00 0.00 61.69 60.48 2jrp s THR 18 Cb 0.12 -3.17 0.04 0.00 0.01 0.00 0.00 72.50 69.50 2jrp s THR 18 CO 0.66 -0.30 0.07 0.00 -0.69 0.00 0.00 174.62 174.36 2jrp s ALA 19 N -2.26 2.98 -0.10 7.40 0.00 -0.52 -0.59 121.76 128.68 2jrp s ALA 19 Ca 0.35 -1.71 -0.11 0.00 0.00 0.00 0.00 51.96 50.49 2jrp s ALA 19 Cb -0.06 -2.15 -0.05 0.00 0.00 0.00 0.00 23.12 20.86 2jrp s ALA 19 CO 0.24 -1.25 0.27 -1.58 0.00 0.00 0.00 175.76 173.43 2jrp s HIS 20 N 1.37 3.59 0.04 0.00 5.04 0.49 0.21 115.29 126.04 2jrp s HIS 20 Ca -0.02 0.69 -0.30 0.00 -1.54 0.00 0.00 55.06 53.88 2jrp s HIS 20 Cb -0.19 -2.17 -0.04 0.00 0.04 0.00 0.00 32.58 30.22 2jrp s HIS 20 CO 0.02 0.55 1.02 0.00 -2.34 0.00 0.00 174.74 173.99 2jrp h GLU 22 N 6.51 -0.24 -0.63 0.00 4.81 -1.87 -3.34 114.58 119.83 2jrp h GLU 22 Ca -0.42 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2jrp h GLU 22 Cb 1.22 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.65 2jrp h GLU 22 CO 0.75 -0.05 0.00 -2.37 -0.73 0.00 0.00 179.01 176.62 2jrp n THR 23 N -4.94 2.26 -3.85 0.32 5.66 -1.26 -4.87 114.28 107.61 2jrp n THR 23 Ca -0.05 -1.23 -0.12 0.00 -3.05 0.00 0.00 64.05 59.60 2jrp n THR 23 Cb 0.16 -0.15 -0.13 0.00 -1.55 0.00 0.00 70.33 68.66 2jrp n THR 23 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jrp n ALA 25 N 3.00 3.90 -3.29 0.00 0.00 -1.26 -4.23 120.51 118.62 2jrp n ALA 25 Ca -0.13 -4.06 -0.14 0.00 0.00 0.00 0.00 53.44 49.12 2jrp n ALA 25 Cb 0.59 -3.32 -0.08 0.00 0.00 0.00 0.00 19.45 16.64 2jrp n ALA 25 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2jrp s LYS 26 N 2.75 0.72 -0.06 0.00 2.47 -1.26 -5.04 119.74 119.32 2jrp s LYS 26 Ca 0.48 -0.07 0.01 0.00 -1.56 0.00 0.00 55.97 54.82 2jrp s LYS 26 Cb 0.02 0.32 0.02 0.00 -1.46 0.00 0.00 37.83 36.73 2jrp s LYS 26 CO 0.03 -0.20 -0.06 -0.51 0.16 0.00 0.00 175.35 174.78 2jrp s ASP 27 N -1.21 1.29 0.06 1.43 1.01 -1.26 -0.65 116.67 117.34 2jrp s ASP 27 Ca -0.12 -0.17 0.04 0.00 0.71 0.00 0.00 52.55 53.00 2jrp s ASP 27 Cb -0.04 -0.55 -0.04 0.00 1.01 0.00 0.00 42.92 43.30 2jrp s ASP 27 CO 0.05 -0.06 0.01 -0.36 0.21 0.00 0.00 175.17 175.02 2jrp s PHE 28 N 1.08 3.04 0.00 4.23 0.08 0.13 -4.95 117.98 121.60 2jrp s PHE 28 Ca -0.08 0.02 -0.21 0.00 0.12 0.00 0.00 56.93 56.78 2jrp s PHE 28 Cb -0.14 -1.59 -0.05 0.00 -0.57 0.00 0.00 43.02 40.67 2jrp s PHE 28 CO -0.01 0.48 0.61 -1.12 -0.10 0.00 0.00 175.22 175.09 2jrp s SER 29 N -2.10 7.00 -0.16 1.36 0.01 -0.95 -1.44 113.70 117.43 2jrp s SER 29 Ca 0.24 1.20 -0.05 0.00 1.31 0.00 0.00 55.95 58.65 2jrp s SER 29 Cb -0.12 -2.38 -0.04 0.00 0.21 0.00 0.00 66.02 63.70 2jrp s SER 29 CO 0.16 0.09 0.02 -0.76 0.41 0.00 0.00 173.24 173.17 2jrp s LEU 30 N -0.19 3.60 -0.33 2.44 1.43 -1.26 0.18 118.68 124.55 2jrp s LEU 30 Ca 0.32 0.02 -0.04 0.00 -1.03 0.00 0.00 54.13 53.40 2jrp s LEU 30 Cb -0.18 -1.89 0.05 0.00 0.03 0.00 0.00 46.19 44.20 2jrp s LEU 30 CO 0.18 0.20 0.07 -1.58 0.23 0.00 0.00 176.35 175.45 2jrp s GLN 31 N 0.19 2.53 -0.80 1.70 0.74 0.29 -4.91 119.66 119.40 2jrp s GLN 31 Ca 0.02 -1.24 -0.25 0.00 0.05 0.00 0.00 55.36 53.94 2jrp s GLN 31 Cb -0.13 -3.36 0.04 0.00 1.10 0.00 0.00 33.01 30.67 2jrp s GLN 31 CO 0.01 -0.66 1.28 0.00 -0.55 0.00 0.00 175.29 175.37 2jrp s ALA 32 N 1.34 2.79 0.30 1.58 0.00 -1.26 -0.43 121.76 126.07 2jrp s ALA 32 Ca -0.03 -1.65 0.07 0.00 0.00 0.00 0.00 51.96 50.36 2jrp s ALA 32 Cb -0.20 -4.27 -0.03 0.00 0.00 0.00 0.00 23.12 18.62 2jrp s ALA 32 CO 0.01 -3.30 0.24 -1.17 0.00 0.00 0.00 175.76 171.54 2jrp s LEU 33 N 5.32 3.67 -0.34 0.00 2.96 0.36 -4.70 118.68 125.95 2jrp s LEU 33 Ca 0.36 -0.40 -0.16 0.00 -0.22 0.00 0.00 54.13 53.71 2jrp s LEU 33 Cb -0.07 -2.24 -0.01 0.00 0.50 0.00 0.00 46.19 44.37 2jrp s LEU 33 CO 0.08 -0.21 0.40 0.00 -1.32 0.00 0.00 176.35 175.30 2jrp n PRO 35 N 5.47 0.91 0.05 0.00 -0.04 -1.26 -2.38 135.00 137.75 2jrp n PRO 35 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2jrp n PRO 35 Cb 0.49 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.91 2jrp n PRO 35 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2jrp n ASP 36 N -0.45 0.72 -2.63 3.54 2.03 -1.26 -4.80 116.55 113.70 2jrp n ASP 36 Ca 0.00 0.16 -0.32 0.00 0.52 0.00 0.00 54.79 55.16 2jrp n ASP 36 Cb 0.02 -0.17 -0.01 0.00 -0.72 0.00 0.00 41.12 40.24 2jrp n ASP 36 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jrp n ARG 38 N 0.25 0.50 -3.75 0.00 0.63 -1.00 -4.85 116.66 108.44 2jrp n ARG 38 Ca 0.51 -0.22 -0.10 0.00 -0.92 0.00 0.00 57.85 57.11 2jrp n ARG 38 Cb 0.43 -2.65 -0.06 0.00 0.45 0.00 0.00 32.46 30.63 2jrp n ARG 38 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2jrp s GLN 39 N 8.40 0.90 -0.24 -0.14 -0.21 -1.26 -5.05 119.66 122.07 2jrp s GLN 39 Ca 1.11 -0.71 -0.37 0.00 0.02 0.00 0.00 55.36 55.41 2jrp s GLN 39 Cb -0.53 0.39 -0.13 0.00 1.00 0.00 0.00 33.01 33.74 2jrp s GLN 39 CO 0.32 -0.31 1.93 -2.30 -2.12 0.00 0.00 175.29 172.81 2jrp n PRO 40 N 0.12 1.47 -1.39 2.91 -0.02 -1.26 -4.69 135.00 132.13 2jrp n PRO 40 Ca -0.17 0.51 -0.23 0.00 -2.02 0.00 0.00 63.50 61.59 2jrp n PRO 40 Cb 0.62 -2.40 0.17 0.00 -0.02 0.00 0.00 33.50 31.87 2jrp n PRO 40 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2jrp n LEU 41 N 7.18 0.00 -4.84 2.45 4.32 -1.26 -5.01 117.00 119.83 2jrp n LEU 41 Ca 0.30 -1.12 -0.37 0.00 -0.02 0.00 0.00 56.01 54.80 2jrp n LEU 41 Cb 0.21 -0.80 -0.06 0.00 -1.62 0.00 0.00 43.42 41.15 2jrp n LEU 41 CO 0.77 -1.36 -0.05 -1.58 -1.22 0.00 0.00 177.39 173.96 2jrp s GLN 42 N -5.24 3.75 -0.90 3.23 0.74 -0.37 -4.85 119.66 116.01 2jrp s GLN 42 Ca 0.59 0.10 -0.25 0.00 0.05 0.00 0.00 55.36 55.85 2jrp s GLN 42 Cb -0.02 -3.24 0.04 0.00 1.10 0.00 0.00 33.01 30.89 2jrp s GLN 42 CO 0.42 0.66 1.38 0.08 -0.55 0.00 0.00 175.29 177.28 2jrp s VAL 43 N -0.81 3.84 -0.52 1.34 1.01 -1.26 -1.56 120.40 122.44 2jrp s VAL 43 Ca 0.18 -0.27 -0.25 0.00 0.00 0.00 0.00 61.98 61.65 2jrp s VAL 43 Cb -0.14 -5.00 0.04 0.00 0.00 0.00 0.00 36.38 31.28 2jrp s VAL 43 CO 0.07 -1.91 0.95 -0.76 0.00 0.00 0.00 175.10 173.45 2jrp s LEU 44 N 5.30 4.04 -0.61 3.92 1.43 0.11 -4.94 118.68 127.93 2jrp s LEU 44 Ca 0.41 -0.16 -0.18 0.00 -1.03 0.00 0.00 54.13 53.17 2jrp s LEU 44 Cb -0.03 -2.97 0.12 0.00 0.03 0.00 0.00 46.19 43.33 2jrp s LEU 44 CO 0.01 -1.17 0.70 -0.54 0.23 0.00 0.00 176.35 175.57 2jrp s LYS 45 N 3.92 3.09 -0.69 1.70 1.02 -1.26 -0.53 119.74 127.00 2jrp s LYS 45 Ca 0.33 -1.46 -0.18 0.00 0.02 0.00 0.00 55.97 54.68 2jrp s LYS 45 Cb -0.11 -4.31 0.13 0.00 -0.52 0.00 0.00 37.83 33.02 2jrp s LYS 45 CO 0.22 -1.51 0.77 0.00 -0.92 0.00 0.00 175.35 173.91 2jrp s ALA 46 N 2.40 3.55 0.00 5.17 0.00 0.58 -4.84 121.76 128.61 2jrp s ALA 46 Ca 0.12 -2.54 0.00 0.00 0.00 0.00 0.00 51.96 49.53 2jrp s ALA 46 Cb -0.23 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.29 2jrp s ALA 46 CO 0.04 -2.42 0.00 0.00 0.00 0.00 0.00 175.76 173.38 2jrp n GLY 48 N 0.00 -0.41 3.48 0.00 0.00 -1.26 -5.04 105.19 101.96 2jrp n GLY 48 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2jrp n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jrp s ALA 49 N -0.19 3.10 -0.30 4.61 0.00 0.09 -5.08 121.76 123.99 2jrp s ALA 49 Ca 0.00 -0.96 -0.12 0.00 0.00 0.00 0.00 51.96 50.88 2jrp s ALA 49 Cb 0.00 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 2jrp s ALA 49 CO 0.00 -0.12 0.21 0.08 0.00 0.00 0.00 175.76 175.93 2jrp s VAL 50 N 0.94 5.28 -0.22 0.00 1.01 -1.26 -0.31 120.40 125.84 2jrp s VAL 50 Ca 0.02 0.01 -0.06 0.00 0.00 0.00 0.00 61.98 61.95 2jrp s VAL 50 Cb -0.14 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 2jrp s VAL 50 CO 0.02 0.15 0.02 -1.81 0.00 0.00 0.00 175.10 173.48 2jrp s ASP 51 N 1.74 4.92 -0.65 3.32 1.01 0.31 -4.95 116.67 122.38 2jrp s ASP 51 Ca 0.07 -0.20 -0.24 0.00 0.71 0.00 0.00 52.55 52.89 2jrp s ASP 51 Cb -0.17 -1.86 0.06 0.00 1.01 0.00 0.00 42.92 41.97 2jrp s ASP 51 CO 0.11 0.03 1.01 -0.47 0.21 0.00 0.00 175.17 176.06 2jrp s TYR 52 N 1.20 2.63 -0.01 4.23 5.04 -1.26 -0.71 117.35 128.47 2jrp s TYR 52 Ca 0.03 -0.34 -0.01 0.00 -2.44 0.00 0.00 57.07 54.32 2jrp s TYR 52 Cb -0.14 -4.30 -0.00 0.00 0.35 0.00 0.00 41.96 37.86 2jrp s TYR 52 CO 0.02 -1.66 0.02 0.12 -1.34 0.00 0.00 175.55 172.71 2jrp s PHE 53 N 4.33 0.02 -0.00 4.97 5.36 -0.60 -4.76 117.98 127.30 2jrp s PHE 53 Ca 0.26 -0.03 -0.30 0.00 -0.96 0.00 0.00 56.93 55.90 2jrp s PHE 53 Cb -0.14 -0.02 -0.06 0.00 -0.34 0.00 0.00 43.02 42.46 2jrp s PHE 53 CO 0.13 -0.05 1.43 0.00 -1.46 0.00 0.00 175.22 175.27 2jrp s GLN 55 N 2.57 0.86 -1.27 0.00 0.74 -1.21 -3.24 119.66 118.11 2jrp s GLN 55 Ca 0.65 0.34 -0.09 0.00 0.05 0.00 0.00 55.36 56.31 2jrp s GLN 55 Cb -0.32 0.40 -0.01 0.00 1.10 0.00 0.00 33.01 34.19 2jrp s GLN 55 CO 0.27 -0.22 0.64 0.09 -0.55 0.00 0.00 175.29 175.52 2jrp n ASN 56 N 1.57 -2.63 0.00 6.67 3.02 -1.26 -3.61 115.26 119.02 2jrp n ASN 56 Ca -0.18 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.41 2jrp n ASN 56 Cb 0.56 -3.44 0.00 0.00 -0.61 0.00 0.00 39.78 36.29 2jrp n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jrp n GLY 57 N -1.76 3.13 0.37 7.41 0.00 -1.26 -4.95 105.19 108.13 2jrp n GLY 57 Ca -0.22 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 2jrp n GLY 57 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2jrp h HIS 58 N 0.00 -0.83 0.00 1.61 6.17 -1.90 -3.50 115.15 116.70 2jrp h HIS 58 Ca 0.00 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.06 2jrp h HIS 58 Cb 0.00 0.27 0.00 0.00 2.52 0.00 0.00 27.41 30.20 2jrp h HIS 58 CO 0.00 -0.51 0.00 0.41 0.71 0.00 0.00 177.93 178.54 2jrp n GLY 59 N -0.53 -0.42 0.00 5.26 0.00 -1.26 -4.87 105.19 103.38 2jrp n GLY 59 Ca -0.11 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2jrp n GLY 59 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2jrp n LEU 60 N 0.00 0.00 -4.19 0.99 -0.00 -1.20 -3.36 117.00 109.23 2jrp n LEU 60 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 55.80 2jrp n LEU 60 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.29 2jrp n LEU 60 CO 0.00 0.00 -0.48 -0.63 -0.00 0.00 0.00 177.39 176.28 2jrp s ILE 61 N -2.00 1.29 0.19 1.47 1.09 -1.26 -4.94 121.20 117.04 2jrp s ILE 61 Ca 0.00 -1.23 -0.32 0.00 -1.10 0.00 0.00 60.65 58.01 2jrp s ILE 61 Cb 0.00 -1.19 -0.11 0.00 -1.06 0.00 0.00 42.46 40.10 2jrp s ILE 61 CO 0.00 -0.06 1.62 -0.55 -0.10 0.00 0.00 174.94 175.85 2jrp s SER 62 N -1.48 6.50 0.00 3.58 0.15 -1.26 -4.84 113.70 116.35 2jrp s SER 62 Ca 0.02 2.73 0.04 0.00 0.70 0.00 0.00 55.95 59.44 2jrp s SER 62 Cb -0.09 -2.60 0.22 0.00 -1.71 0.00 0.00 66.02 61.84 2jrp s SER 62 CO 0.02 -0.88 0.80 0.29 1.20 0.00 0.00 173.24 174.67 2jrp n LYS 63 N 3.82 0.62 0.05 5.44 5.02 -1.26 -0.91 118.16 130.93 2jrp n LYS 63 Ca 0.14 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.54 2jrp n LYS 63 Cb 0.37 -1.09 -0.03 0.00 -0.02 0.00 0.00 35.03 34.26 2jrp n LYS 63 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2jrp n LYS 64 N -0.59 0.49 -0.33 1.97 5.02 -1.26 -4.40 118.16 119.06 2jrp n LYS 64 Ca 0.03 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.40 2jrp n LYS 64 Cb 0.01 -1.67 0.13 0.00 -0.02 0.00 0.00 35.03 33.49 2jrp n LYS 64 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2jrp n ARG 65 N -2.31 1.13 -2.41 1.97 1.74 -0.09 -5.04 116.66 111.66 2jrp n ARG 65 Ca -0.00 -2.53 -0.41 0.00 -0.77 0.00 0.00 57.85 54.14 2jrp n ARG 65 Cb 0.51 -1.33 -0.03 0.00 -1.02 0.00 0.00 32.46 30.59 2jrp n ARG 65 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2jrp s VAL 66 N -2.46 3.73 -0.75 1.55 1.01 -1.21 -4.65 120.40 117.62 2jrp s VAL 66 Ca 0.30 1.40 -0.22 0.00 0.00 0.00 0.00 61.98 63.46 2jrp s VAL 66 Cb 0.27 -3.90 0.09 0.00 0.00 0.00 0.00 36.38 32.84 2jrp s VAL 66 CO -0.01 0.20 1.03 0.21 0.00 0.00 0.00 175.10 176.53 2jrp s ASN 67 N 0.32 6.31 -0.51 3.32 2.47 -0.28 -4.92 114.94 121.65 2jrp s ASN 67 Ca 0.54 -1.30 -0.27 0.00 0.42 0.00 0.00 52.86 52.25 2jrp s ASN 67 Cb -0.31 -2.42 0.03 0.00 -1.45 0.00 0.00 41.25 37.10 2jrp s ASN 67 CO 0.34 -1.34 1.06 -0.36 -3.72 0.00 0.00 177.10 173.08 2jrp s PHE 68 N 3.73 2.79 -0.14 0.43 0.08 -1.26 -0.49 117.98 123.12 2jrp s PHE 68 Ca 0.26 0.42 -0.15 0.00 0.12 0.00 0.00 56.93 57.58 2jrp s PHE 68 Cb -0.13 -4.26 -0.05 0.00 -0.57 0.00 0.00 43.02 38.01 2jrp s PHE 68 CO 0.04 -1.32 0.34 0.08 -0.10 0.00 0.00 175.22 174.26 2jrp s VAL 69 N 4.30 5.27 -0.34 -0.44 1.01 0.42 -4.85 120.40 125.76 2jrp s VAL 69 Ca 0.41 0.65 -0.28 0.00 0.00 0.00 0.00 61.98 62.75 2jrp s VAL 69 Cb -0.09 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.63 2jrp s VAL 69 CO 0.27 0.39 1.05 -0.63 0.00 0.00 0.00 175.10 176.17 2jrp s ILE 70 N 0.41 4.50 -0.29 2.22 1.01 -1.26 -0.55 121.20 127.25 2jrp s ILE 70 Ca 0.19 1.58 -0.04 0.00 0.00 0.00 0.00 60.65 62.37 2jrp s ILE 70 Cb -0.14 -4.41 0.03 0.00 0.01 0.00 0.00 42.46 37.95 2jrp s ILE 70 CO 0.06 -0.54 0.02 -0.44 0.00 0.00 0.00 174.94 174.04 2jrp s SER 71 N 1.77 4.83 -0.34 3.58 0.01 0.13 -4.98 113.70 118.70 2jrp s SER 71 Ca 0.44 -0.92 -0.12 0.00 1.31 0.00 0.00 55.95 56.65 2jrp s SER 71 Cb -0.12 -1.77 -0.01 0.00 0.21 0.00 0.00 66.02 64.33 2jrp s SER 71 CO 0.17 -0.20 0.23 -0.62 0.41 0.00 0.00 173.24 173.23 2jrp s ASP 72 N 1.38 5.94 0.85 2.44 -1.08 -1.26 -2.24 116.67 122.70 2jrp s ASP 72 Ca -0.00 -0.50 -0.12 0.00 -0.52 0.00 0.00 52.55 51.40 2jrp s ASP 72 Cb -0.18 -2.11 0.10 0.00 -1.46 0.00 0.00 42.92 39.28 2jrp s ASP 72 CO -0.00 -0.25 1.17 -1.10 0.52 0.00 0.00 175.17 175.51 2jrp s GLN 73 N 1.69 1.63 -0.26 4.34 -0.21 -1.26 -4.98 119.66 120.60 2jrp s GLN 73 Ca 0.06 0.16 0.12 0.00 0.02 0.00 0.00 55.36 55.71 2jrp s GLN 73 Cb -0.18 -1.91 0.60 0.00 1.00 0.00 0.00 33.01 32.53 2jrp s GLN 73 CO 0.09 -1.84 1.58 1.47 -2.12 0.00 0.00 175.29 174.47 2jrp n LEU 74 N -3.49 4.77 0.03 2.90 -0.00 -1.26 -4.45 117.00 115.50 2jrp n LEU 74 Ca 0.08 -3.28 -0.07 0.00 -0.00 0.00 0.00 56.01 52.73 2jrp n LEU 74 Cb 0.60 -0.64 -0.12 0.00 -0.00 0.00 0.00 43.42 43.26 2jrp n LEU 74 CO 0.57 0.87 -0.16 1.05 -0.00 0.00 0.00 177.39 179.72 2jrp h GLU 75 N 1.90 0.00 -6.05 1.47 -0.00 -2.05 -3.41 114.58 106.45 2jrp h GLU 75 Ca 0.16 0.00 -0.60 0.00 -0.00 0.00 0.00 59.36 58.92 2jrp h GLU 75 Cb 1.83 0.00 -0.10 0.00 -0.00 0.00 0.00 28.75 30.48 2jrp h GLU 75 CO 0.46 0.74 1.38 -3.38 -0.00 0.00 0.00 179.01 178.21 2jrp s HIS 76 N -2.67 2.55 -0.28 2.06 -3.43 -1.26 -4.87 115.29 107.37 2jrp s HIS 76 Ca -0.02 -0.78 0.02 0.00 -0.80 0.00 0.00 55.06 53.48 2jrp s HIS 76 Cb 0.09 -4.65 0.17 0.00 -1.43 0.00 0.00 32.58 26.76 2jrp s HIS 76 CO 0.82 -1.92 0.50 -3.38 -2.00 0.00 0.00 174.74 168.76 2jrp s HIS 77 N 4.88 -1.37 -0.29 0.38 -3.43 -1.26 -5.13 115.29 109.07 2jrp s HIS 77 Ca 0.43 0.94 -0.37 0.00 -0.80 0.00 0.00 55.06 55.26 2jrp s HIS 77 Cb -0.02 0.17 0.17 0.00 -1.43 0.00 0.00 32.58 31.47 2jrp s HIS 77 CO -0.07 -0.95 1.39 -3.38 -2.00 0.00 0.00 174.74 169.73 2jrp s HIS 78 N 2.70 -0.01 -0.03 0.38 -3.43 -1.26 -5.14 115.29 108.50 2jrp s HIS 78 Ca 0.13 0.01 -0.02 0.00 -0.80 0.00 0.00 55.06 54.38 2jrp s HIS 78 Cb -0.13 0.50 0.01 0.00 -1.43 0.00 0.00 32.58 31.53 2jrp s HIS 78 CO -0.25 -0.01 0.04 1.58 -2.00 0.00 0.00 174.74 174.10 2jrp n HIS 79 N 0.08 -1.12 -3.67 0.38 -0.00 -1.26 -5.04 115.22 104.60 2jrp n HIS 79 Ca 0.05 0.66 -0.28 0.00 -0.00 0.00 0.00 57.72 58.14 2jrp n HIS 79 Cb 0.57 -2.23 -0.12 0.00 -0.00 0.00 0.00 29.99 28.21 2jrp n HIS 79 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jrp s HIS 80 N -0.15 2.28 0.00 1.57 2.46 -1.26 -5.32 115.29 114.87 2jrp s HIS 80 Ca -0.04 -2.74 0.00 0.00 0.47 0.00 0.00 55.06 52.75 2jrp s HIS 80 Cb 0.00 -1.87 0.00 0.00 -0.13 0.00 0.00 32.58 30.58 2jrp s HIS 80 CO 0.12 -0.71 0.00 1.58 -2.47 0.00 0.00 174.74 173.26