#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 4.14 -0.47 0.03 2.12 -1.26 -5.02 118.70 118.24 2jrp s GLU 2 Ca 0.00 0.51 -0.29 0.00 0.36 0.00 0.00 54.97 55.55 2jrp s GLU 2 Cb 0.00 -3.62 0.03 0.00 0.26 0.00 0.00 34.13 30.80 2jrp s GLU 2 CO 0.00 -0.33 1.15 0.42 -0.54 0.00 0.00 175.26 175.96 2jrp s ILE 3 N 2.22 4.20 -0.14 -3.70 1.09 -1.26 -5.00 121.20 118.61 2jrp s ILE 3 Ca 0.26 1.23 -0.07 0.00 -1.10 0.00 0.00 60.65 60.97 2jrp s ILE 3 Cb -0.16 -4.58 -0.04 0.00 -1.06 0.00 0.00 42.46 36.62 2jrp s ILE 3 CO 0.09 -0.98 0.10 -0.89 -0.10 0.00 0.00 174.94 173.17 2jrp s THR 4 N 4.48 5.19 0.14 2.92 2.01 -1.26 -0.61 115.64 128.50 2jrp s THR 4 Ca 0.49 0.10 -0.31 0.00 0.31 0.00 0.00 61.69 62.27 2jrp s THR 4 Cb -0.08 -3.28 -0.09 0.00 0.01 0.00 0.00 72.50 69.06 2jrp s THR 4 CO 0.31 0.56 1.58 0.00 -0.69 0.00 0.00 174.62 176.39 2jrp h PRO 6 N 7.21 0.00 0.00 0.00 0.13 -1.97 0.11 132.00 137.48 2jrp h PRO 6 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2jrp h PRO 6 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2jrp h PRO 6 CO 0.92 0.14 -0.40 0.28 -0.23 0.00 0.00 178.00 178.71 2jrp h VAL 7 N 0.00 0.00 0.00 1.56 2.07 -1.96 -3.39 116.25 114.52 2jrp h VAL 7 Ca -0.00 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.60 2jrp h VAL 7 Cb 0.55 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2jrp h VAL 7 CO 0.02 0.00 -0.17 0.00 0.02 0.00 0.00 177.57 177.43 2jrp n HIS 9 N -2.48 -2.24 -4.25 0.00 8.25 0.39 -4.99 115.22 109.90 2jrp n HIS 9 Ca 0.04 0.91 -0.18 0.00 -0.26 0.00 0.00 57.72 58.23 2jrp n HIS 9 Cb 0.47 -4.47 -0.13 0.00 1.12 0.00 0.00 29.99 26.97 2jrp n HIS 9 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jrp s HIS 10 N -3.45 0.99 0.29 4.41 5.65 -1.24 -4.84 115.29 117.10 2jrp s HIS 10 Ca 0.31 -0.35 -0.30 0.00 0.25 0.00 0.00 55.06 54.96 2jrp s HIS 10 Cb -0.15 -0.59 -0.12 0.00 -1.18 0.00 0.00 32.58 30.54 2jrp s HIS 10 CO 0.79 0.00 1.50 0.00 -0.65 0.00 0.00 174.74 176.38 2jrp n ALA 11 N 1.92 1.97 -2.00 1.58 0.00 -1.26 -0.22 120.51 122.50 2jrp n ALA 11 Ca -0.19 0.38 -0.31 0.00 0.00 0.00 0.00 53.44 53.32 2jrp n ALA 11 Cb 0.55 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 17.59 2jrp n ALA 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jrp s LEU 12 N -0.48 3.69 -0.46 0.00 1.43 0.22 -4.61 118.68 118.47 2jrp s LEU 12 Ca 0.63 1.36 -0.23 0.00 -1.03 0.00 0.00 54.13 54.87 2jrp s LEU 12 Cb -0.55 -4.28 0.03 0.00 0.03 0.00 0.00 46.19 41.42 2jrp s LEU 12 CO 0.51 -0.52 0.78 -0.70 0.23 0.00 0.00 176.35 176.66 2jrp s GLU 13 N -4.04 3.38 -0.42 1.70 -6.30 0.97 -4.89 118.70 109.10 2jrp s GLU 13 Ca 0.55 -0.16 -0.22 0.00 -2.50 0.00 0.00 54.97 52.64 2jrp s GLU 13 Cb -0.10 -3.95 0.02 0.00 0.00 0.00 0.00 34.13 30.09 2jrp s GLU 13 CO 0.33 -1.14 0.71 1.03 0.02 0.00 0.00 175.26 176.20 2jrp s ARG 14 N 3.29 3.44 0.00 4.30 3.00 -1.26 -1.05 118.95 130.67 2jrp s ARG 14 Ca 0.29 -0.13 0.23 0.00 0.00 0.00 0.00 55.73 56.12 2jrp s ARG 14 Cb -0.12 -3.91 0.14 0.00 0.00 0.00 0.00 34.95 31.06 2jrp s ARG 14 CO 0.22 -0.99 1.15 -1.71 0.00 0.00 0.00 175.30 173.97 2jrp n ASN 15 N 6.42 0.73 0.00 0.23 2.85 -0.83 -5.03 115.26 119.63 2jrp n ASN 15 Ca 0.00 -0.58 0.00 0.00 -0.11 0.00 0.00 54.58 53.89 2jrp n ASN 15 Cb 0.48 0.63 0.00 0.00 1.24 0.00 0.00 39.78 42.13 2jrp n ASN 15 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jrp n GLY 16 N 1.49 1.43 4.34 8.20 0.00 -1.26 -4.82 105.19 114.56 2jrp n GLY 16 Ca 0.05 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.95 2jrp n GLY 16 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jrp n ASP 17 N 0.00 0.00 -4.33 1.61 2.03 -1.26 -4.87 116.55 109.73 2jrp n ASP 17 Ca 0.00 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.99 2jrp n ASP 17 Cb 0.00 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.25 2jrp n ASP 17 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2jrp s THR 18 N 0.00 2.55 -0.27 5.18 2.01 -1.26 -1.02 115.64 122.83 2jrp s THR 18 Ca 0.00 -0.87 -0.05 0.00 0.31 0.00 0.00 61.69 61.08 2jrp s THR 18 Cb 0.00 -2.00 0.01 0.00 0.01 0.00 0.00 72.50 70.52 2jrp s THR 18 CO 0.00 0.56 0.02 0.00 -0.69 0.00 0.00 174.62 174.51 2jrp s ALA 19 N -0.02 2.92 -0.18 7.40 0.00 0.13 -1.96 121.76 130.05 2jrp s ALA 19 Ca -0.06 -1.40 -0.03 0.00 0.00 0.00 0.00 51.96 50.47 2jrp s ALA 19 Cb -0.15 -1.94 -0.02 0.00 0.00 0.00 0.00 23.12 21.02 2jrp s ALA 19 CO 0.05 -0.79 -0.05 -1.58 0.00 0.00 0.00 175.76 173.39 2jrp s HIS 20 N 1.45 2.97 -0.00 0.00 2.46 -0.22 -0.21 115.29 121.74 2jrp s HIS 20 Ca 0.02 -0.58 -0.30 0.00 0.47 0.00 0.00 55.06 54.67 2jrp s HIS 20 Cb -0.16 -2.01 -0.03 0.00 -0.13 0.00 0.00 32.58 30.24 2jrp s HIS 20 CO -0.00 -0.27 1.00 0.00 -2.47 0.00 0.00 174.74 173.00 2jrp h GLU 22 N 6.82 0.00 -0.38 0.00 5.08 -1.94 -2.41 114.58 121.74 2jrp h GLU 22 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2jrp h GLU 22 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2jrp h GLU 22 CO 0.76 0.11 0.00 0.25 -1.00 0.00 0.00 179.01 179.13 2jrp n THR 23 N -4.07 1.97 -4.28 1.13 -2.24 -1.26 -4.97 114.28 100.55 2jrp n THR 23 Ca -0.02 -1.51 -0.16 0.00 -2.27 0.00 0.00 64.05 60.08 2jrp n THR 23 Cb 0.20 -0.02 -0.09 0.00 -2.10 0.00 0.00 70.33 68.31 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 -0.48 3.59 -2.86 0.00 0.00 -1.26 -4.63 120.51 114.87 2jrp n ALA 25 Ca 0.02 -2.69 -0.35 0.00 0.00 0.00 0.00 53.44 50.42 2jrp n ALA 25 Cb 0.65 -0.73 -0.06 0.00 0.00 0.00 0.00 19.45 19.31 2jrp n ALA 25 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2jrp s LYS 26 N -3.02 3.36 -0.18 0.00 1.02 -1.26 -5.06 119.74 114.60 2jrp s LYS 26 Ca 0.43 -0.27 0.00 0.00 0.02 0.00 0.00 55.97 56.16 2jrp s LYS 26 Cb 0.37 -3.08 0.01 0.00 -0.52 0.00 0.00 37.83 34.61 2jrp s LYS 26 CO 0.05 0.72 -0.17 -0.51 -0.92 0.00 0.00 175.35 174.52 2jrp s ASP 27 N -1.45 3.38 -0.15 2.83 1.01 -1.26 -3.31 116.67 117.72 2jrp s ASP 27 Ca 0.20 -0.58 -0.06 0.00 0.71 0.00 0.00 52.55 52.83 2jrp s ASP 27 Cb -0.12 -1.53 -0.04 0.00 1.01 0.00 0.00 42.92 42.24 2jrp s ASP 27 CO 0.11 0.02 0.05 -0.36 0.21 0.00 0.00 175.17 175.20 2jrp s PHE 28 N 1.21 3.27 -0.19 4.23 0.08 0.71 -4.90 117.98 122.38 2jrp s PHE 28 Ca 0.02 0.16 -0.28 0.00 0.12 0.00 0.00 56.93 56.95 2jrp s PHE 28 Cb -0.14 -1.98 0.00 0.00 -0.57 0.00 0.00 43.02 40.33 2jrp s PHE 28 CO -0.09 0.31 0.99 -1.12 -0.10 0.00 0.00 175.22 175.22 2jrp s SER 29 N -0.15 7.09 -0.36 1.36 0.01 -1.26 0.18 113.70 120.57 2jrp s SER 29 Ca 0.07 1.36 -0.13 0.00 1.31 0.00 0.00 55.95 58.56 2jrp s SER 29 Cb -0.12 -2.52 -0.00 0.00 0.21 0.00 0.00 66.02 63.58 2jrp s SER 29 CO 0.01 -0.57 0.25 -0.76 0.41 0.00 0.00 173.24 172.59 2jrp s LEU 30 N 2.75 4.72 -0.07 2.44 1.43 -0.19 -2.87 118.68 126.89 2jrp s LEU 30 Ca 0.44 -0.63 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 2jrp s LEU 30 Cb -0.16 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 2jrp s LEU 30 CO 0.10 -0.32 -0.10 -1.58 0.23 0.00 0.00 176.35 174.68 2jrp s GLN 31 N 1.69 2.71 -0.39 1.70 0.74 0.90 -4.66 119.66 122.36 2jrp s GLN 31 Ca 0.05 -0.61 -0.20 0.00 0.05 0.00 0.00 55.36 54.65 2jrp s GLN 31 Cb -0.18 -2.52 0.01 0.00 1.10 0.00 0.00 33.01 31.42 2jrp s GLN 31 CO 0.10 0.62 0.62 0.00 -0.55 0.00 0.00 175.29 176.08 2jrp s ALA 32 N -0.69 3.42 0.31 1.58 0.00 -1.26 -0.87 121.76 124.24 2jrp s ALA 32 Ca 0.10 -1.00 0.08 0.00 0.00 0.00 0.00 51.96 51.15 2jrp s ALA 32 Cb -0.11 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 2jrp s ALA 32 CO 0.01 -1.49 0.11 -0.51 0.00 0.00 0.00 175.76 173.88 2jrp s LEU 33 N 2.72 3.33 0.19 0.00 2.01 -0.15 -4.71 118.68 122.06 2jrp s LEU 33 Ca 0.23 -0.65 0.09 0.00 0.01 0.00 0.00 54.13 53.82 2jrp s LEU 33 Cb -0.14 -1.84 -0.04 0.00 0.01 0.00 0.00 46.19 44.17 2jrp s LEU 33 CO 0.16 -0.17 -0.19 0.00 1.01 0.00 0.00 176.35 177.16 2jrp n PRO 35 N 0.11 0.68 0.00 0.00 -0.04 -1.26 -2.70 135.00 131.79 2jrp n PRO 35 Ca -0.12 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2jrp n PRO 35 Cb 0.58 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 2jrp n PRO 35 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2jrp n ASP 36 N 0.90 0.00 -4.40 3.54 8.00 -1.26 -4.44 116.55 118.89 2jrp n ASP 36 Ca 0.11 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.18 2jrp n ASP 36 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 2jrp n ASP 36 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jrp n ARG 38 N 7.29 0.98 -0.02 0.00 1.74 -1.10 -3.53 116.66 122.03 2jrp n ARG 38 Ca 0.47 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.49 2jrp n ARG 38 Cb 0.44 -1.19 -0.02 0.00 -1.02 0.00 0.00 32.46 30.67 2jrp n ARG 38 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2jrp n GLN 39 N -0.69 0.21 -1.66 5.56 6.02 -1.26 -4.68 117.38 120.87 2jrp n GLN 39 Ca 0.09 0.09 -0.39 0.00 -0.01 0.00 0.00 57.00 56.78 2jrp n GLN 39 Cb 0.04 -0.87 -0.03 0.00 1.02 0.00 0.00 30.24 30.41 2jrp n GLN 39 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 2jrp s PRO 40 N -2.31 2.58 0.02 -1.09 0.02 -1.23 -4.92 135.00 128.07 2jrp s PRO 40 Ca -0.12 1.53 -0.12 0.00 0.02 0.00 0.00 61.00 62.30 2jrp s PRO 40 Cb 0.03 -4.47 0.02 0.00 0.02 0.00 0.00 34.50 30.10 2jrp s PRO 40 CO 0.17 -2.74 0.26 -0.51 -0.33 0.00 0.00 177.00 173.86 2jrp s LEU 41 N 10.23 1.05 -0.38 -5.54 1.02 -1.26 -4.81 118.68 118.99 2jrp s LEU 41 Ca 0.94 -0.14 -0.20 0.00 0.02 0.00 0.00 54.13 54.75 2jrp s LEU 41 Cb -0.22 1.16 0.01 0.00 0.02 0.00 0.00 46.19 47.16 2jrp s LEU 41 CO 0.29 -0.52 0.63 -1.10 0.02 0.00 0.00 176.35 175.67 2jrp s GLN 42 N -2.02 3.56 -1.06 1.70 -0.21 -1.20 -4.87 119.66 115.57 2jrp s GLN 42 Ca -0.09 -0.08 -0.22 0.00 0.02 0.00 0.00 55.36 54.98 2jrp s GLN 42 Cb -0.03 -3.85 0.04 0.00 1.00 0.00 0.00 33.01 30.17 2jrp s GLN 42 CO -0.00 -0.80 1.56 0.08 -2.12 0.00 0.00 175.29 174.01 2jrp s VAL 43 N 2.71 3.89 -0.93 1.09 1.01 -1.26 -1.13 120.40 125.78 2jrp s VAL 43 Ca 0.23 -0.91 -0.20 0.00 0.00 0.00 0.00 61.98 61.10 2jrp s VAL 43 Cb -0.14 -4.96 0.11 0.00 0.00 0.00 0.00 36.38 31.38 2jrp s VAL 43 CO 0.16 -1.83 1.20 -0.76 0.00 0.00 0.00 175.10 173.87 2jrp s LEU 44 N 5.55 4.60 -0.75 3.92 1.43 0.11 -4.96 118.68 128.58 2jrp s LEU 44 Ca 0.50 -1.81 -0.20 0.00 -1.03 0.00 0.00 54.13 51.59 2jrp s LEU 44 Cb -0.00 -2.45 0.10 0.00 0.03 0.00 0.00 46.19 43.88 2jrp s LEU 44 CO -0.05 -1.21 0.97 -0.54 0.23 0.00 0.00 176.35 175.74 2jrp s LYS 45 N 3.39 3.29 0.25 1.70 1.02 -1.26 -0.63 119.74 127.50 2jrp s LYS 45 Ca 0.35 -1.33 0.09 0.00 0.02 0.00 0.00 55.97 55.11 2jrp s LYS 45 Cb -0.04 -4.50 -0.04 0.00 -0.52 0.00 0.00 37.83 32.72 2jrp s LYS 45 CO -0.08 -1.73 -0.02 0.00 -0.92 0.00 0.00 175.35 172.60 2jrp s ALA 46 N 3.15 3.13 -0.33 5.17 0.00 -0.71 -4.99 121.76 127.18 2jrp s ALA 46 Ca 0.24 -1.61 -0.28 0.00 0.00 0.00 0.00 51.96 50.30 2jrp s ALA 46 Cb -0.14 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 2jrp s ALA 46 CO 0.01 0.31 1.82 0.00 0.00 0.00 0.00 175.76 177.90 2jrp n GLY 48 N 5.44 2.18 2.73 0.00 0.00 -1.26 -4.98 105.19 109.30 2jrp n GLY 48 Ca 0.23 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.49 -0.31 -0.31 4.61 0.00 -0.83 -5.11 121.76 117.32 2jrp s ALA 49 Ca 0.00 -0.48 -0.10 0.00 0.00 0.00 0.00 51.96 51.38 2jrp s ALA 49 Cb 0.00 -1.77 -0.02 0.00 0.00 0.00 0.00 23.12 21.34 2jrp s ALA 49 CO 0.00 -1.74 0.17 0.08 0.00 0.00 0.00 175.76 174.27 2jrp s VAL 50 N 2.24 4.81 -0.08 0.00 1.01 -1.25 -1.74 120.40 125.39 2jrp s VAL 50 Ca 0.10 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.80 2jrp s VAL 50 Cb -0.14 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.83 2jrp s VAL 50 CO -0.31 0.09 -0.10 -1.81 0.00 0.00 0.00 175.10 172.98 2jrp s ASP 51 N 1.65 1.85 -0.65 3.32 1.11 0.20 -4.99 116.67 119.17 2jrp s ASP 51 Ca 0.05 -0.29 -0.23 0.00 0.18 0.00 0.00 52.55 52.26 2jrp s ASP 51 Cb -0.17 -0.80 0.06 0.00 1.07 0.00 0.00 42.92 43.08 2jrp s ASP 51 CO 0.07 -0.03 0.99 -0.31 1.18 0.00 0.00 175.17 177.08 2jrp s TYR 52 N 1.05 2.65 -0.13 4.23 1.51 -1.26 0.07 117.35 125.48 2jrp s TYR 52 Ca -0.07 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.55 2jrp s TYR 52 Cb -0.15 -4.28 0.07 0.00 -0.11 0.00 0.00 41.96 37.49 2jrp s TYR 52 CO -0.01 -1.64 0.24 0.12 -1.11 0.00 0.00 175.55 173.16 2jrp s PHE 53 N 4.22 -0.37 0.05 2.71 5.36 -0.28 -4.84 117.98 124.83 2jrp s PHE 53 Ca 0.25 0.83 -0.30 0.00 -0.96 0.00 0.00 56.93 56.75 2jrp s PHE 53 Cb -0.15 -0.11 -0.05 0.00 -0.34 0.00 0.00 43.02 42.37 2jrp s PHE 53 CO 0.12 -0.37 1.08 0.00 -1.46 0.00 0.00 175.22 174.59 2jrp n GLN 55 N 3.65 0.33 -4.14 0.00 6.02 -1.26 -2.42 117.38 119.56 2jrp n GLN 55 Ca 0.06 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.76 2jrp n GLN 55 Cb 0.48 -1.00 -0.08 0.00 1.02 0.00 0.00 30.24 30.66 2jrp n GLN 55 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2jrp s ASN 56 N -3.94 5.00 0.00 1.08 2.47 -1.26 -4.51 114.94 113.78 2jrp s ASN 56 Ca -0.00 -0.20 0.00 0.00 0.42 0.00 0.00 52.86 53.07 2jrp s ASN 56 Cb 0.00 -1.17 0.00 0.00 -1.45 0.00 0.00 41.25 38.63 2jrp s ASN 56 CO 0.01 0.16 0.00 0.61 -3.72 0.00 0.00 177.10 174.16 2jrp n GLY 57 N 0.47 2.26 0.01 1.21 0.00 -1.26 -4.32 105.19 103.56 2jrp n GLY 57 Ca -0.11 -0.16 -0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.00 0.00 1.61 -0.00 -1.93 -3.51 115.15 111.32 2jrp h HIS 58 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2jrp h HIS 58 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2jrp h HIS 58 CO 0.00 -0.00 0.00 0.41 -0.00 0.00 0.00 177.93 178.34 2jrp n GLY 59 N 1.94 3.30 3.73 5.26 0.00 -1.26 -5.03 105.19 113.13 2jrp n GLY 59 Ca -0.00 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 2jrp n GLY 59 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jrp s LEU 60 N 0.00 4.45 -0.17 0.99 0.05 -1.02 -4.26 118.68 118.73 2jrp s LEU 60 Ca 0.00 2.16 -0.03 0.00 0.05 0.00 0.00 54.13 56.31 2jrp s LEU 60 Cb 0.00 -3.60 -0.02 0.00 -2.05 0.00 0.00 46.19 40.52 2jrp s LEU 60 CO 0.00 -0.33 -0.05 -0.63 -0.55 0.00 0.00 176.35 174.79 2jrp s ILE 61 N 0.01 3.64 0.18 1.48 -1.09 -1.26 -5.04 121.20 119.11 2jrp s ILE 61 Ca 0.52 -0.43 -0.33 0.00 -2.23 0.00 0.00 60.65 58.18 2jrp s ILE 61 Cb -0.31 -2.61 -0.14 0.00 -1.58 0.00 0.00 42.46 37.82 2jrp s ILE 61 CO 0.35 0.47 1.53 -1.20 -1.23 0.00 0.00 174.94 174.86 2jrp n SER 62 N 3.95 2.98 0.30 3.58 7.64 -1.26 -4.77 113.62 126.04 2jrp n SER 62 Ca -0.18 1.10 0.17 0.00 1.01 0.00 0.00 58.87 60.97 2jrp n SER 62 Cb 0.52 -1.42 0.97 0.00 -1.01 0.00 0.00 64.21 63.27 2jrp n SER 62 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2jrp h LYS 63 N 5.43 0.00 0.00 1.43 3.64 -1.98 0.40 116.57 125.49 2jrp h LYS 63 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2jrp h LYS 63 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2jrp h LYS 63 CO 0.85 0.01 0.00 1.17 -2.27 0.00 0.00 179.45 179.21 2jrp n LYS 64 N -3.66 0.05 -0.00 1.90 4.81 -1.26 -2.44 118.16 117.56 2jrp n LYS 64 Ca -0.03 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 2jrp n LYS 64 Cb 0.09 -1.58 0.00 0.00 0.02 0.00 0.00 35.03 33.57 2jrp n LYS 64 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2jrp n ARG 65 N -1.67 -0.67 -2.64 1.64 5.12 0.13 -5.00 116.66 113.58 2jrp n ARG 65 Ca 0.04 -0.60 -0.42 0.00 -1.93 0.00 0.00 57.85 54.94 2jrp n ARG 65 Cb 0.21 -1.01 -0.03 0.00 -1.16 0.00 0.00 32.46 30.47 2jrp n ARG 65 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2jrp s VAL 66 N -0.12 4.58 -0.91 1.55 1.01 -0.84 -4.82 120.40 120.85 2jrp s VAL 66 Ca 0.01 1.92 -0.21 0.00 0.00 0.00 0.00 61.98 63.70 2jrp s VAL 66 Cb 0.01 -4.23 0.09 0.00 0.00 0.00 0.00 36.38 32.25 2jrp s VAL 66 CO 0.01 0.19 1.22 0.20 0.00 0.00 0.00 175.10 176.71 2jrp s ASN 67 N 0.77 6.51 -0.82 3.32 0.02 -0.54 -4.92 114.94 119.28 2jrp s ASN 67 Ca 0.52 -1.64 -0.26 0.00 -1.02 0.00 0.00 52.86 50.46 2jrp s ASN 67 Cb -0.24 -2.46 0.03 0.00 0.02 0.00 0.00 41.25 38.60 2jrp s ASN 67 CO 0.29 -1.29 1.35 -0.36 0.02 0.00 0.00 177.10 177.11 2jrp s PHE 68 N 3.74 2.33 0.32 2.20 0.40 -1.26 -0.98 117.98 124.73 2jrp s PHE 68 Ca 0.36 -0.24 0.07 0.00 -0.60 0.00 0.00 56.93 56.52 2jrp s PHE 68 Cb -0.05 -4.63 -0.06 0.00 0.51 0.00 0.00 43.02 38.79 2jrp s PHE 68 CO -0.06 -2.04 -0.03 0.14 0.70 0.00 0.00 175.22 173.93 2jrp s VAL 69 N 5.67 1.72 -0.60 -0.44 -7.23 -0.05 -4.79 120.40 114.68 2jrp s VAL 69 Ca 0.39 -2.09 -0.28 0.00 -1.81 0.00 0.00 61.98 58.19 2jrp s VAL 69 Cb -0.06 -2.64 0.02 0.00 0.56 0.00 0.00 36.38 34.26 2jrp s VAL 69 CO 0.08 -0.18 1.35 -0.63 -0.31 0.00 0.00 175.10 175.42 2jrp s ILE 70 N -2.95 3.82 -0.47 -0.62 1.01 -1.25 -0.07 121.20 120.67 2jrp s ILE 70 Ca 0.32 0.68 0.01 0.00 0.00 0.00 0.00 60.65 61.66 2jrp s ILE 70 Cb 0.06 -4.57 0.05 0.00 0.01 0.00 0.00 42.46 38.01 2jrp s ILE 70 CO 0.14 -1.31 0.84 -1.54 0.00 0.00 0.00 174.94 173.07 2jrp n SER 71 N 9.35 2.23 -1.25 3.58 3.41 -1.14 -4.80 113.62 125.01 2jrp n SER 71 Ca 0.10 -2.09 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 2jrp n SER 71 Cb 0.49 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 2jrp n SER 71 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2jrp n ASP 72 N 0.22 1.52 -0.18 4.04 -0.08 -1.26 -5.06 116.55 115.75 2jrp n ASP 72 Ca 0.03 -0.62 0.00 0.00 -1.51 0.00 0.00 54.79 52.69 2jrp n ASP 72 Cb 0.46 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.92 2jrp n ASP 72 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jrp n GLN 73 N -0.15 0.00 -4.42 -0.67 1.13 -1.26 -4.88 117.38 107.13 2jrp n GLN 73 Ca 0.00 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.84 2jrp n GLN 73 Cb 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 30.24 30.19 2jrp n GLN 73 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2jrp s LEU 74 N 0.00 1.66 0.10 1.08 1.43 -1.26 -4.97 118.68 116.72 2jrp s LEU 74 Ca 0.00 -0.21 -0.07 0.00 -1.03 0.00 0.00 54.13 52.82 2jrp s LEU 74 Cb 0.00 -0.62 -0.18 0.00 0.03 0.00 0.00 46.19 45.42 2jrp s LEU 74 CO 0.00 0.04 1.23 -0.08 0.23 0.00 0.00 176.35 177.76 2jrp h GLU 75 N 6.69 0.45 0.00 1.70 4.57 -2.02 -3.47 114.58 122.49 2jrp h GLU 75 Ca -0.34 -0.55 0.00 0.00 -1.18 0.00 0.00 59.36 57.29 2jrp h GLU 75 Cb 1.17 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 2jrp h GLU 75 CO 0.48 1.20 0.00 1.58 -1.18 0.00 0.00 179.01 181.09 2jrp n HIS 76 N -3.72 0.00 -2.95 0.92 -0.00 -1.26 -3.75 115.22 104.46 2jrp n HIS 76 Ca -0.09 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.56 2jrp n HIS 76 Cb 0.90 -1.12 0.01 0.00 -0.00 0.00 0.00 29.99 29.78 2jrp n HIS 76 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jrp n HIS 77 N -2.22 -3.30 -2.20 1.57 -0.00 -1.26 -4.90 115.22 102.92 2jrp n HIS 77 Ca 0.00 1.31 -0.39 0.00 0.46 0.00 0.00 57.72 59.10 2jrp n HIS 77 Cb 0.18 -4.01 0.01 0.00 -0.12 0.00 0.00 29.99 26.04 2jrp n HIS 77 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2jrp n HIS 78 N -0.77 2.61 -4.63 1.57 1.44 -1.25 -4.84 115.22 109.36 2jrp n HIS 78 Ca 0.07 -2.53 -0.34 0.00 -2.01 0.00 0.00 57.72 52.91 2jrp n HIS 78 Cb 0.48 -1.41 -0.12 0.00 0.12 0.00 0.00 29.99 29.06 2jrp n HIS 78 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2jrp s HIS 79 N -3.02 2.93 0.00 -1.40 3.76 -1.26 -4.81 115.29 111.49 2jrp s HIS 79 Ca 0.48 -0.05 0.00 0.00 -0.15 0.00 0.00 55.06 55.33 2jrp s HIS 79 Cb 0.25 -1.74 0.00 0.00 1.11 0.00 0.00 32.58 32.20 2jrp s HIS 79 CO -0.17 0.26 0.00 0.72 -0.85 0.00 0.00 174.74 174.69 2jrp n HIS 80 N 2.43 0.00 0.00 1.40 8.25 -1.26 -5.26 115.22 120.78 2jrp n HIS 80 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 2jrp n HIS 80 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 2jrp n HIS 80 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59