#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrp s GLU 2 N 0.00 3.04 0.05 3.17 -6.30 -1.26 -5.04 118.70 112.36 2jrp s GLU 2 Ca 0.00 -0.40 -0.28 0.00 -2.50 0.00 0.00 54.97 51.79 2jrp s GLU 2 Cb 0.00 -2.85 -0.17 0.00 0.00 0.00 0.00 34.13 31.11 2jrp s GLU 2 CO 0.00 0.70 1.48 0.82 0.02 0.00 0.00 175.26 178.28 2jrp h ILE 3 N 3.94 0.60 -2.73 -3.70 2.04 -1.96 -3.50 117.51 112.21 2jrp h ILE 3 Ca -0.51 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.10 2jrp h ILE 3 Cb 1.19 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 2jrp h ILE 3 CO 0.56 0.05 -0.62 0.41 0.00 0.00 0.00 178.15 178.55 2jrp n THR 4 N -5.27 -4.74 -2.36 -0.27 -1.04 -1.26 -4.83 114.28 94.51 2jrp n THR 4 Ca -0.11 1.78 -0.43 0.00 -2.04 0.00 0.00 64.05 63.26 2jrp n THR 4 Cb 0.27 -2.80 -0.02 0.00 -1.82 0.00 0.00 70.33 65.95 2jrp n THR 4 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jrp h PRO 6 N 10.04 0.00 -0.55 0.00 0.13 -1.91 0.22 132.00 139.94 2jrp h PRO 6 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2jrp h PRO 6 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2jrp h PRO 6 CO 1.05 0.00 0.00 1.33 -0.23 0.00 0.00 178.00 180.16 2jrp n VAL 7 N -3.55 0.75 0.00 1.56 0.24 -1.26 -4.37 118.33 111.70 2jrp n VAL 7 Ca -0.03 -0.87 0.00 0.00 -2.04 0.00 0.00 64.34 61.40 2jrp n VAL 7 Cb 0.08 0.75 0.00 0.00 -1.47 0.00 0.00 33.84 33.20 2jrp n VAL 7 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jrp n HIS 9 N -0.98 0.00 -3.55 0.00 -0.00 0.62 -4.98 115.22 106.33 2jrp n HIS 9 Ca 0.00 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 57.94 2jrp n HIS 9 Cb 0.15 -2.23 -0.02 0.00 -0.12 0.00 0.00 29.99 27.77 2jrp n HIS 9 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2jrp s HIS 10 N -2.15 3.49 -0.15 1.57 3.76 -1.26 -4.93 115.29 115.62 2jrp s HIS 10 Ca 0.00 0.28 -0.29 0.00 -0.15 0.00 0.00 55.06 54.90 2jrp s HIS 10 Cb 0.00 -1.83 -0.00 0.00 1.11 0.00 0.00 32.58 31.86 2jrp s HIS 10 CO 0.00 0.23 1.04 0.00 -0.85 0.00 0.00 174.74 175.15 2jrp s ALA 11 N -2.17 3.52 -0.12 -1.40 0.00 -1.26 -2.60 121.76 117.73 2jrp s ALA 11 Ca 0.39 0.32 -0.29 0.00 0.00 0.00 0.00 51.96 52.37 2jrp s ALA 11 Cb -0.10 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 2jrp s ALA 11 CO 0.33 -0.79 1.60 -0.51 0.00 0.00 0.00 175.76 176.39 2jrp s LEU 12 N 2.50 4.17 -0.78 0.00 1.43 -1.26 -4.89 118.68 119.85 2jrp s LEU 12 Ca 0.47 1.98 -0.26 0.00 -1.03 0.00 0.00 54.13 55.30 2jrp s LEU 12 Cb -0.17 -3.53 -0.01 0.00 0.03 0.00 0.00 46.19 42.50 2jrp s LEU 12 CO 0.14 -1.01 1.71 -0.70 0.23 0.00 0.00 176.35 176.72 2jrp s GLU 13 N 4.17 2.86 0.04 1.70 2.12 -0.52 -4.79 118.70 124.28 2jrp s GLU 13 Ca 0.71 -0.07 -0.01 0.00 0.36 0.00 0.00 54.97 55.96 2jrp s GLU 13 Cb -0.29 -4.69 -0.04 0.00 0.26 0.00 0.00 34.13 29.37 2jrp s GLU 13 CO 0.27 -2.73 0.21 -0.98 -0.54 0.00 0.00 175.26 171.49 2jrp s ARG 14 N 6.47 3.44 0.00 4.30 1.70 -1.26 0.17 118.95 133.77 2jrp s ARG 14 Ca 0.59 -0.41 0.26 0.00 -0.47 0.00 0.00 55.73 55.70 2jrp s ARG 14 Cb -0.08 -3.05 0.63 0.00 -0.57 0.00 0.00 34.95 31.87 2jrp s ARG 14 CO 0.09 0.62 1.50 0.09 -1.08 0.00 0.00 175.30 176.52 2jrp n ASN 15 N 0.45 0.42 0.00 -2.89 3.02 0.69 -4.95 115.26 112.01 2jrp n ASN 15 Ca -0.06 -0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 2jrp n ASN 15 Cb 0.51 0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.81 2jrp n ASN 15 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jrp n GLY 16 N 1.50 2.99 0.11 7.41 0.00 -1.26 -4.83 105.19 111.11 2jrp n GLY 16 Ca 0.06 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.14 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 0.16 -2.63 1.61 3.04 -1.99 -3.48 116.42 113.13 2jrp h ASP 17 Ca 0.00 -0.70 -0.57 0.00 -3.24 0.00 0.00 57.03 52.52 2jrp h ASP 17 Cb 0.00 -0.05 -0.08 0.00 -1.04 0.00 0.00 39.33 38.15 2jrp h ASP 17 CO 0.00 1.56 -0.60 0.42 -2.04 0.00 0.00 179.24 178.58 2jrp s THR 18 N -2.42 4.08 -0.05 1.15 -4.23 -1.26 -4.12 115.64 108.79 2jrp s THR 18 Ca -0.25 -1.35 0.05 0.00 -1.18 0.00 0.00 61.69 58.96 2jrp s THR 18 Cb 0.05 -3.10 -0.00 0.00 1.34 0.00 0.00 72.50 70.78 2jrp s THR 18 CO 0.67 -0.18 -0.20 0.00 -0.54 0.00 0.00 174.62 174.37 2jrp s ALA 19 N -1.86 1.80 -0.18 3.99 0.00 -0.80 -0.22 121.76 124.49 2jrp s ALA 19 Ca 0.30 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 2jrp s ALA 19 Cb -0.09 -0.59 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 2jrp s ALA 19 CO 0.21 0.32 -0.08 -1.58 0.00 0.00 0.00 175.76 174.64 2jrp s HIS 20 N 0.02 2.91 -0.34 0.00 2.46 0.13 0.26 115.29 120.73 2jrp s HIS 20 Ca -0.05 -0.79 -0.19 0.00 0.47 0.00 0.00 55.06 54.50 2jrp s HIS 20 Cb -0.13 -1.99 -0.00 0.00 -0.13 0.00 0.00 32.58 30.32 2jrp s HIS 20 CO 0.03 -0.39 0.54 0.00 -2.47 0.00 0.00 174.74 172.46 2jrp h GLU 22 N 8.42 0.02 -2.37 0.00 9.09 -1.90 -1.31 114.58 126.53 2jrp h GLU 22 Ca -0.28 -0.01 -0.75 0.00 0.05 0.00 0.00 59.36 58.37 2jrp h GLU 22 Cb 1.12 0.00 -0.20 0.00 -1.65 0.00 0.00 28.75 28.02 2jrp h GLU 22 CO 0.78 0.51 1.58 0.25 0.05 0.00 0.00 179.01 182.19 2jrp n THR 23 N -3.95 5.35 0.00 -1.06 -2.24 -1.26 -3.84 114.28 107.28 2jrp n THR 23 Ca -0.02 -4.92 0.00 0.00 -2.27 0.00 0.00 64.05 56.85 2jrp n THR 23 Cb 0.51 -1.75 0.00 0.00 -2.10 0.00 0.00 70.33 66.99 2jrp n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jrp n ALA 25 N -0.38 -0.28 -3.10 0.00 0.00 -0.50 -4.98 120.51 111.27 2jrp n ALA 25 Ca 0.00 0.22 -0.34 0.00 0.00 0.00 0.00 53.44 53.32 2jrp n ALA 25 Cb 0.00 -1.66 -0.13 0.00 0.00 0.00 0.00 19.45 17.66 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 -3.60 3.56 -0.19 0.00 2.20 -1.22 -5.00 119.74 115.50 2jrp s LYS 26 Ca 0.00 -0.56 -0.10 0.00 -0.36 0.00 0.00 55.97 54.95 2jrp s LYS 26 Cb 0.00 -2.93 -0.05 0.00 -1.51 0.00 0.00 37.83 33.34 2jrp s LYS 26 CO 0.00 0.10 0.14 -0.51 -0.36 0.00 0.00 175.35 174.73 2jrp s ASP 27 N 0.72 6.24 -0.20 1.43 1.01 -1.26 -1.88 116.67 122.72 2jrp s ASP 27 Ca -0.02 0.26 -0.12 0.00 0.71 0.00 0.00 52.55 53.39 2jrp s ASP 27 Cb -0.15 -2.10 -0.05 0.00 1.01 0.00 0.00 42.92 41.64 2jrp s ASP 27 CO 0.02 0.18 0.21 -0.36 0.21 0.00 0.00 175.17 175.43 2jrp s PHE 28 N 0.31 3.40 -0.37 4.23 0.08 0.14 -4.96 117.98 120.80 2jrp s PHE 28 Ca 0.09 0.40 -0.14 0.00 0.12 0.00 0.00 56.93 57.40 2jrp s PHE 28 Cb -0.11 -2.27 -0.00 0.00 -0.57 0.00 0.00 43.02 40.06 2jrp s PHE 28 CO -0.01 0.19 0.28 0.45 -0.10 0.00 0.00 175.22 176.03 2jrp s SER 29 N 0.63 6.09 0.33 1.36 0.15 -1.26 -1.90 113.70 119.10 2jrp s SER 29 Ca 0.11 -0.59 0.07 0.00 0.70 0.00 0.00 55.95 56.24 2jrp s SER 29 Cb -0.12 -2.15 -0.02 0.00 -1.71 0.00 0.00 66.02 62.01 2jrp s SER 29 CO 0.02 -0.33 0.38 -0.76 1.20 0.00 0.00 173.24 173.74 2jrp s LEU 30 N 1.75 3.82 -0.03 3.45 1.02 -1.26 -4.81 118.68 122.62 2jrp s LEU 30 Ca 0.06 -0.31 0.03 0.00 0.02 0.00 0.00 54.13 53.93 2jrp s LEU 30 Cb -0.18 -2.51 -0.03 0.00 0.02 0.00 0.00 46.19 43.49 2jrp s LEU 30 CO 0.11 -0.37 -0.09 -1.10 0.02 0.00 0.00 176.35 174.92 2jrp s GLN 31 N -4.07 2.58 -0.83 1.70 -0.21 -0.34 -4.88 119.66 113.61 2jrp s GLN 31 Ca 0.42 -0.67 -0.24 0.00 0.02 0.00 0.00 55.36 54.89 2jrp s GLN 31 Cb -0.08 -2.49 0.05 0.00 1.00 0.00 0.00 33.01 31.49 2jrp s GLN 31 CO 0.29 0.62 1.26 0.00 -2.12 0.00 0.00 175.29 175.34 2jrp s ALA 32 N -0.89 2.87 0.25 6.09 0.00 -1.26 -1.58 121.76 127.24 2jrp s ALA 32 Ca 0.14 -1.89 0.01 0.00 0.00 0.00 0.00 51.96 50.23 2jrp s ALA 32 Cb -0.11 -4.25 -0.04 0.00 0.00 0.00 0.00 23.12 18.73 2jrp s ALA 32 CO 0.04 -3.26 0.42 -1.17 0.00 0.00 0.00 175.76 171.79 2jrp s LEU 33 N 4.86 4.20 -0.43 0.00 2.96 0.19 -4.66 118.68 125.80 2jrp s LEU 33 Ca 0.36 0.32 -0.16 0.00 -0.22 0.00 0.00 54.13 54.43 2jrp s LEU 33 Cb -0.07 -3.11 0.03 0.00 0.50 0.00 0.00 46.19 43.54 2jrp s LEU 33 CO 0.04 -0.11 0.37 0.00 -1.32 0.00 0.00 176.35 175.32 2jrp h PRO 35 N 8.69 0.44 0.04 0.00 0.13 -1.92 -2.62 132.00 136.77 2jrp h PRO 35 Ca -0.27 -0.11 -0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2jrp h PRO 35 Cb 1.11 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2jrp h PRO 35 CO 0.78 0.53 -0.02 0.22 -0.23 0.00 0.00 178.00 179.29 2jrp h ASP 36 N 0.42 -0.04 -3.41 1.44 3.58 -1.93 -3.38 116.42 113.10 2jrp h ASP 36 Ca 0.09 -0.53 -0.65 0.00 0.42 0.00 0.00 57.03 56.35 2jrp h ASP 36 Cb 0.40 0.01 -0.40 0.00 1.72 0.00 0.00 39.33 41.06 2jrp h ASP 36 CO 0.02 0.53 -0.43 0.00 -2.88 0.00 0.00 179.24 176.47 2jrp s ARG 38 N -1.19 3.36 0.09 0.00 0.52 -1.00 -4.62 118.95 116.11 2jrp s ARG 38 Ca 0.24 -1.05 -0.17 0.00 -0.52 0.00 0.00 55.73 54.23 2jrp s ARG 38 Cb -0.09 -5.31 0.04 0.00 0.52 0.00 0.00 34.95 30.11 2jrp s ARG 38 CO -0.12 -2.56 0.42 -0.65 0.02 0.00 0.00 175.30 172.40 2jrp s GLN 39 N 5.41 1.02 -0.20 3.54 -0.21 -1.26 -5.06 119.66 122.90 2jrp s GLN 39 Ca 0.53 -0.55 -0.41 0.00 0.02 0.00 0.00 55.36 54.96 2jrp s GLN 39 Cb -0.01 0.45 -0.18 0.00 1.00 0.00 0.00 33.01 34.27 2jrp s GLN 39 CO -0.05 -0.38 1.49 -2.30 -2.12 0.00 0.00 175.29 171.93 2jrp n PRO 40 N 0.07 0.62 -1.69 2.91 -0.02 -1.26 -4.68 135.00 130.96 2jrp n PRO 40 Ca -0.17 0.23 -0.25 0.00 -2.02 0.00 0.00 63.50 61.28 2jrp n PRO 40 Cb 0.62 -1.82 0.17 0.00 -0.02 0.00 0.00 33.50 32.46 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 3.63 0.00 -4.69 2.45 4.32 -1.26 -4.98 117.00 116.46 2jrp n LEU 41 Ca 0.25 -1.30 -0.39 0.00 -0.02 0.00 0.00 56.01 54.55 2jrp n LEU 41 Cb 0.08 -0.86 -0.06 0.00 -1.62 0.00 0.00 43.42 40.96 2jrp n LEU 41 CO 0.75 -1.30 0.24 -1.58 -1.22 0.00 0.00 177.39 174.29 2jrp s GLN 42 N -5.48 4.29 -0.66 3.23 0.74 -1.21 -4.80 119.66 115.77 2jrp s GLN 42 Ca 0.65 0.51 -0.27 0.00 0.05 0.00 0.00 55.36 56.30 2jrp s GLN 42 Cb -0.02 -3.49 0.03 0.00 1.10 0.00 0.00 33.01 30.63 2jrp s GLN 42 CO 0.45 0.00 1.22 0.08 -0.55 0.00 0.00 175.29 176.49 2jrp s VAL 43 N 1.12 3.90 -0.68 1.34 1.01 -1.26 -0.66 120.40 125.17 2jrp s VAL 43 Ca 0.27 0.60 -0.18 0.00 0.00 0.00 0.00 61.98 62.67 2jrp s VAL 43 Cb -0.16 -4.81 0.12 0.00 0.00 0.00 0.00 36.38 31.53 2jrp s VAL 43 CO 0.11 -1.58 0.79 -0.76 0.00 0.00 0.00 175.10 173.66 2jrp s LEU 44 N 5.25 5.45 0.02 3.92 1.43 0.78 -4.94 118.68 130.60 2jrp s LEU 44 Ca 0.38 -1.66 -0.27 0.00 -1.03 0.00 0.00 54.13 51.55 2jrp s LEU 44 Cb -0.08 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 2jrp s LEU 44 CO 0.20 -1.06 0.84 -1.59 0.23 0.00 0.00 176.35 174.97 2jrp s LYS 45 N 2.46 4.53 0.00 1.70 -2.85 -1.26 -1.30 119.74 123.02 2jrp s LYS 45 Ca 0.16 1.19 0.00 0.00 -1.00 0.00 0.00 55.97 56.32 2jrp s LYS 45 Cb -0.19 -3.41 0.00 0.00 -2.06 0.00 0.00 37.83 32.17 2jrp s LYS 45 CO 0.02 0.12 0.00 0.00 0.10 0.00 0.00 175.35 175.59 2jrp n ALA 46 N 3.35 0.00 -2.39 0.59 0.00 0.10 -5.00 120.51 117.17 2jrp n ALA 46 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.09 2jrp n ALA 46 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 2jrp n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jrp n GLY 48 N 6.64 3.12 3.73 0.00 0.00 -1.26 -5.02 105.19 112.40 2jrp n GLY 48 Ca 0.38 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.94 3.42 -0.30 4.61 0.00 -1.25 -5.05 121.76 122.26 2jrp s ALA 49 Ca 0.00 0.01 0.02 0.00 0.00 0.00 0.00 51.96 51.99 2jrp s ALA 49 Cb 0.00 -2.80 0.07 0.00 0.00 0.00 0.00 23.12 20.39 2jrp s ALA 49 CO 0.00 0.02 -0.03 0.14 0.00 0.00 0.00 175.76 175.89 2jrp s VAL 50 N 0.41 2.46 -0.11 0.00 -7.23 -1.26 0.02 120.40 114.68 2jrp s VAL 50 Ca 0.32 -1.76 -0.16 0.00 -1.81 0.00 0.00 61.98 58.58 2jrp s VAL 50 Cb -0.17 -2.53 -0.05 0.00 0.56 0.00 0.00 36.38 34.19 2jrp s VAL 50 CO 0.16 -0.21 0.39 -1.81 -0.31 0.00 0.00 175.10 173.31 2jrp s ASP 51 N 1.14 6.60 -0.55 4.85 1.11 -0.42 -4.92 116.67 124.48 2jrp s ASP 51 Ca -0.03 0.72 -0.22 0.00 0.18 0.00 0.00 52.55 53.20 2jrp s ASP 51 Cb -0.20 -2.24 0.06 0.00 1.07 0.00 0.00 42.92 41.61 2jrp s ASP 51 CO -0.05 0.10 0.82 -0.31 1.18 0.00 0.00 175.17 176.91 2jrp s TYR 52 N 0.25 2.88 -0.26 4.23 2.02 -1.26 -0.15 117.35 125.06 2jrp s TYR 52 Ca 0.22 -0.34 -0.02 0.00 -0.37 0.00 0.00 57.07 56.56 2jrp s TYR 52 Cb -0.14 -3.91 0.13 0.00 -0.40 0.00 0.00 41.96 37.63 2jrp s TYR 52 CO 0.08 -1.28 0.33 0.12 -1.57 0.00 0.00 175.55 173.23 2jrp s PHE 53 N 3.42 -0.64 -0.87 2.71 5.36 0.17 -4.85 117.98 123.27 2jrp s PHE 53 Ca 0.22 0.33 -0.25 0.00 -0.96 0.00 0.00 56.93 56.28 2jrp s PHE 53 Cb -0.16 -0.23 0.03 0.00 -0.34 0.00 0.00 43.02 42.32 2jrp s PHE 53 CO 0.14 -0.80 1.44 0.00 -1.46 0.00 0.00 175.22 174.54 2jrp n GLN 55 N 9.10 0.51 0.00 0.00 -0.06 -1.26 -2.34 117.38 123.34 2jrp n GLN 55 Ca 0.21 0.35 0.04 0.00 -2.00 0.00 0.00 57.00 55.60 2jrp n GLN 55 Cb 0.50 -1.55 0.24 0.00 -4.06 0.00 0.00 30.24 25.37 2jrp n GLN 55 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 2jrp n ASN 56 N -4.48 0.00 -3.46 1.69 4.13 -1.26 -4.56 115.26 107.32 2jrp n ASN 56 Ca -0.19 -1.69 -0.12 0.00 1.68 0.00 0.00 54.58 54.27 2jrp n ASN 56 Cb 0.50 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.71 2jrp n ASN 56 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 2jrp s GLY 57 N -1.28 -0.57 0.00 7.41 0.00 -1.26 -5.01 107.32 106.61 2jrp s GLY 57 Ca 0.12 0.46 0.00 0.00 0.00 0.00 0.00 44.72 45.30 2jrp s GLY 57 CO 0.10 0.14 0.00 1.42 0.00 0.00 0.00 173.10 174.75 2jrp n HIS 58 N -0.28 0.00 0.00 1.90 8.25 -1.26 -4.57 115.22 119.26 2jrp n HIS 58 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 2jrp n HIS 58 Cb 0.64 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.75 2jrp n HIS 58 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jrp n GLY 59 N 0.00 4.05 3.64 -1.41 0.00 -1.13 -5.07 105.19 105.26 2jrp n GLY 59 Ca 0.00 -0.50 -0.49 0.00 0.00 0.00 0.00 46.02 45.04 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 2.47 -4.72 0.99 -0.00 -0.99 -4.68 117.00 110.07 2jrp n LEU 60 Ca 0.00 1.10 -0.35 0.00 -0.00 0.00 0.00 56.01 56.76 2jrp n LEU 60 Cb 0.00 -1.32 -0.08 0.00 -0.00 0.00 0.00 43.42 42.01 2jrp n LEU 60 CO 0.00 -0.61 -0.21 -0.63 -0.00 0.00 0.00 177.39 175.94 2jrp s ILE 61 N 0.75 5.16 0.24 1.47 -1.09 -1.26 -5.06 121.20 121.41 2jrp s ILE 61 Ca 0.81 0.10 -0.31 0.00 -2.23 0.00 0.00 60.65 59.01 2jrp s ILE 61 Cb -0.80 -3.32 -0.13 0.00 -1.58 0.00 0.00 42.46 36.63 2jrp s ILE 61 CO 0.42 0.48 1.48 -1.20 -1.23 0.00 0.00 174.94 174.89 2jrp n SER 62 N 3.20 3.04 0.00 3.58 7.64 -1.26 -4.83 113.62 124.99 2jrp n SER 62 Ca -0.17 1.13 0.02 0.00 1.01 0.00 0.00 58.87 60.86 2jrp n SER 62 Cb 0.53 -1.46 0.12 0.00 -1.01 0.00 0.00 64.21 62.38 2jrp n SER 62 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2jrp n LYS 63 N 2.32 0.76 -0.10 1.43 5.02 -1.26 -2.71 118.16 123.62 2jrp n LYS 63 Ca 0.12 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.27 2jrp n LYS 63 Cb 0.32 -1.08 -0.05 0.00 -0.02 0.00 0.00 35.03 34.20 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 -0.58 0.53 -1.89 1.97 5.02 -1.26 -4.66 118.16 117.29 2jrp n LYS 64 Ca 0.03 0.29 -0.41 0.00 -2.02 0.00 0.00 58.31 56.20 2jrp n LYS 64 Cb 0.01 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.52 2jrp n LYS 64 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2jrp n ARG 65 N -4.43 3.47 -4.33 1.97 0.63 -1.10 -4.90 116.66 107.97 2jrp n ARG 65 Ca -0.24 -2.95 -0.35 0.00 -0.92 0.00 0.00 57.85 53.40 2jrp n ARG 65 Cb 0.58 -3.01 -0.09 0.00 0.45 0.00 0.00 32.46 30.39 2jrp n ARG 65 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2jrp s VAL 66 N 1.55 4.37 -1.26 5.15 1.01 -1.25 -4.71 120.40 125.25 2jrp s VAL 66 Ca 0.49 -0.27 -0.17 0.00 0.00 0.00 0.00 61.98 62.03 2jrp s VAL 66 Cb 0.14 -2.86 0.11 0.00 0.00 0.00 0.00 36.38 33.76 2jrp s VAL 66 CO -0.05 0.57 1.62 0.21 0.00 0.00 0.00 175.10 177.45 2jrp s ASN 67 N -1.01 6.92 -0.59 3.32 3.04 0.96 -4.88 114.94 122.69 2jrp s ASN 67 Ca 0.15 -2.63 -0.27 0.00 0.04 0.00 0.00 52.86 50.15 2jrp s ASN 67 Cb -0.11 -2.52 -0.01 0.00 -1.54 0.00 0.00 41.25 37.08 2jrp s ASN 67 CO 0.04 -1.02 1.66 -0.36 -3.04 0.00 0.00 177.10 174.38 2jrp s PHE 68 N 3.30 1.92 0.01 0.43 0.08 -1.25 -0.64 117.98 121.82 2jrp s PHE 68 Ca 0.50 0.57 0.06 0.00 0.12 0.00 0.00 56.93 58.19 2jrp s PHE 68 Cb 0.01 -4.24 -0.02 0.00 -0.57 0.00 0.00 43.02 38.20 2jrp s PHE 68 CO 0.05 -2.26 -0.20 0.54 -0.10 0.00 0.00 175.22 173.25 2jrp s VAL 69 N 7.64 1.56 -1.14 -0.44 0.11 -0.62 -4.87 120.40 122.64 2jrp s VAL 69 Ca 0.60 -0.99 -0.20 0.00 -2.93 0.00 0.00 61.98 58.46 2jrp s VAL 69 Cb -0.12 -1.33 0.08 0.00 -1.53 0.00 0.00 36.38 33.48 2jrp s VAL 69 CO 0.22 0.31 1.53 -0.63 -3.33 0.00 0.00 175.10 173.20 2jrp s ILE 70 N -0.62 4.21 -0.12 7.04 1.01 -1.26 -1.19 121.20 130.27 2jrp s ILE 70 Ca 0.07 -1.51 -0.29 0.00 0.00 0.00 0.00 60.65 58.92 2jrp s ILE 70 Cb -0.08 -5.07 -0.05 0.00 0.01 0.00 0.00 42.46 37.27 2jrp s ILE 70 CO 0.00 -1.89 1.80 -0.44 0.00 0.00 0.00 174.94 174.41 2jrp s SER 71 N 4.30 6.33 -1.08 3.58 0.01 -1.26 -4.91 113.70 120.67 2jrp s SER 71 Ca 0.47 2.07 -0.22 0.00 1.31 0.00 0.00 55.95 59.58 2jrp s SER 71 Cb 0.01 -2.53 0.03 0.00 0.21 0.00 0.00 66.02 63.74 2jrp s SER 71 CO -0.02 -1.23 1.62 -0.62 0.41 0.00 0.00 173.24 173.41 2jrp s ASP 72 N 4.66 6.28 0.00 2.44 2.15 -1.26 -4.54 116.67 126.41 2jrp s ASP 72 Ca 0.80 -1.59 0.00 0.00 0.43 0.00 0.00 52.55 52.19 2jrp s ASP 72 Cb -0.32 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.72 2jrp s ASP 72 CO 0.33 -1.71 0.62 1.67 -0.17 0.00 0.00 175.17 175.91 2jrp n GLN 73 N 8.73 0.01 -3.99 4.34 -0.06 -1.26 -5.02 117.38 120.12 2jrp n GLN 73 Ca 0.39 -0.75 -0.35 0.00 -2.00 0.00 0.00 57.00 54.29 2jrp n GLN 73 Cb 0.49 -1.00 -0.06 0.00 -4.06 0.00 0.00 30.24 25.61 2jrp n GLN 73 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2jrp s LEU 74 N -0.25 4.19 -0.29 1.69 1.43 -1.26 -5.03 118.68 119.15 2jrp s LEU 74 Ca 0.00 0.33 -0.28 0.00 -1.03 0.00 0.00 54.13 53.14 2jrp s LEU 74 Cb 0.00 -2.25 -0.03 0.00 0.03 0.00 0.00 46.19 43.94 2jrp s LEU 74 CO 0.00 0.33 1.85 -1.61 0.23 0.00 0.00 176.35 177.16 2jrp s GLU 75 N -1.44 3.38 -0.10 1.70 8.01 -1.26 -4.81 118.70 124.18 2jrp s GLU 75 Ca 0.20 1.60 0.16 0.00 0.01 0.00 0.00 54.97 56.94 2jrp s GLU 75 Cb -0.12 -4.21 0.54 0.00 -4.31 0.00 0.00 34.13 26.04 2jrp s GLU 75 CO 0.10 -1.80 1.46 -2.39 0.01 0.00 0.00 175.26 172.64 2jrp n HIS 76 N 10.22 1.03 -1.25 1.61 1.44 -1.26 -5.05 115.22 121.96 2jrp n HIS 76 Ca 0.24 -0.65 0.00 0.00 -2.01 0.00 0.00 57.72 55.30 2jrp n HIS 76 Cb 0.46 -0.20 0.00 0.00 0.12 0.00 0.00 29.99 30.37 2jrp n HIS 76 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2jrp n HIS 77 N 0.50 -2.16 -0.17 -1.40 8.25 -1.26 -4.86 115.22 114.12 2jrp n HIS 77 Ca 0.20 1.30 -0.07 0.00 -0.26 0.00 0.00 57.72 58.90 2jrp n HIS 77 Cb 0.75 -2.75 0.09 0.00 1.12 0.00 0.00 29.99 29.19 2jrp n HIS 77 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2jrp h HIS 78 N 1.88 1.03 -2.19 4.41 2.76 -2.01 -3.35 115.15 117.68 2jrp h HIS 78 Ca 0.00 -0.16 -0.63 0.00 -2.20 0.00 0.00 60.37 57.38 2jrp h HIS 78 Cb 0.00 -0.28 -0.13 0.00 1.55 0.00 0.00 27.41 28.55 2jrp h HIS 78 CO 0.00 0.92 0.93 -1.01 -1.30 0.00 0.00 177.93 177.46 2jrp s HIS 79 N -5.02 2.72 0.16 5.26 3.76 -1.26 -4.96 115.29 115.94 2jrp s HIS 79 Ca -0.11 -0.80 -0.06 0.00 -0.15 0.00 0.00 55.06 53.94 2jrp s HIS 79 Cb 0.14 -4.43 -0.02 0.00 1.11 0.00 0.00 32.58 29.38 2jrp s HIS 79 CO 0.84 -1.73 0.22 -3.38 -0.85 0.00 0.00 174.74 169.83 2jrp s HIS 80 N 4.10 0.58 -2.17 1.40 -0.00 -1.26 -5.17 115.29 112.77 2jrp s HIS 80 Ca 0.33 -0.94 0.17 0.00 -0.00 0.00 0.00 55.06 54.62 2jrp s HIS 80 Cb -0.08 -0.20 0.14 0.00 -0.00 0.00 0.00 32.58 32.44 2jrp s HIS 80 CO 0.00 -0.67 1.05 1.58 -0.00 0.00 0.00 174.74 176.70