#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 3.22 -0.31 0.03 8.01 -1.26 -5.06 118.70 123.32 2jrp s GLU 2 Ca 0.00 -0.44 -0.29 0.00 0.01 0.00 0.00 54.97 54.26 2jrp s GLU 2 Cb 0.00 -2.85 -0.00 0.00 -4.31 0.00 0.00 34.13 26.97 2jrp s GLU 2 CO 0.00 0.56 1.44 0.42 0.01 0.00 0.00 175.26 177.69 2jrp s ILE 3 N -0.48 3.92 -0.05 -1.63 1.01 -1.26 -4.96 121.20 117.75 2jrp s ILE 3 Ca 0.08 1.01 0.05 0.00 0.00 0.00 0.00 60.65 61.79 2jrp s ILE 3 Cb -0.12 -4.03 -0.02 0.00 0.01 0.00 0.00 42.46 38.30 2jrp s ILE 3 CO 0.02 -0.51 -0.19 0.42 0.00 0.00 0.00 174.94 174.68 2jrp s THR 4 N 5.04 2.59 0.18 2.92 -4.23 -1.26 -0.05 115.64 120.83 2jrp s THR 4 Ca 0.63 -0.89 -0.31 0.00 -1.18 0.00 0.00 61.69 59.94 2jrp s THR 4 Cb -0.18 -1.98 -0.09 0.00 1.34 0.00 0.00 72.50 71.58 2jrp s THR 4 CO 0.28 0.58 1.45 0.00 -0.54 0.00 0.00 174.62 176.38 2jrp h PRO 6 N 6.12 0.00 -0.02 0.00 0.13 -1.99 0.16 132.00 136.40 2jrp h PRO 6 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2jrp h PRO 6 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2jrp h PRO 6 CO 0.84 0.00 -0.14 1.55 -0.23 0.00 0.00 178.00 180.02 2jrp n VAL 7 N -3.87 0.00 -0.05 1.56 3.14 -1.26 -4.53 118.33 113.32 2jrp n VAL 7 Ca -0.01 -0.43 -0.07 0.00 -2.96 0.00 0.00 64.34 60.87 2jrp n VAL 7 Cb 0.20 1.40 -0.05 0.00 -1.06 0.00 0.00 33.84 34.33 2jrp n VAL 7 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2jrp n HIS 9 N -2.77 -0.03 -4.21 0.00 8.25 0.32 -4.96 115.22 111.80 2jrp n HIS 9 Ca -0.18 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 56.96 2jrp n HIS 9 Cb 0.70 -3.49 -0.08 0.00 1.12 0.00 0.00 29.99 28.23 2jrp n HIS 9 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jrp s HIS 10 N -2.78 3.12 0.09 4.41 3.76 -1.26 -4.94 115.29 117.69 2jrp s HIS 10 Ca 0.00 0.10 -0.30 0.00 -0.15 0.00 0.00 55.06 54.70 2jrp s HIS 10 Cb 0.00 -1.67 -0.06 0.00 1.11 0.00 0.00 32.58 31.96 2jrp s HIS 10 CO 0.00 0.49 1.21 0.00 -0.85 0.00 0.00 174.74 175.58 2jrp s ALA 11 N -1.15 3.41 0.19 -1.40 0.00 -1.26 -2.71 121.76 118.84 2jrp s ALA 11 Ca 0.21 0.88 -0.22 0.00 0.00 0.00 0.00 51.96 52.83 2jrp s ALA 11 Cb -0.12 -3.44 -0.08 0.00 0.00 0.00 0.00 23.12 19.48 2jrp s ALA 11 CO 0.13 -0.42 0.74 -0.51 0.00 0.00 0.00 175.76 175.69 2jrp s LEU 12 N 0.77 4.47 -0.05 0.00 1.43 0.93 -4.81 118.68 121.42 2jrp s LEU 12 Ca 0.58 1.52 -0.30 0.00 -1.03 0.00 0.00 54.13 54.90 2jrp s LEU 12 Cb -0.30 -3.41 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 2jrp s LEU 12 CO 0.31 0.13 1.30 -1.61 0.23 0.00 0.00 176.35 176.71 2jrp s GLU 13 N -1.53 4.30 -0.53 1.70 8.01 -0.58 -4.73 118.70 125.34 2jrp s GLU 13 Ca 0.39 1.81 -0.11 0.00 0.01 0.00 0.00 54.97 57.06 2jrp s GLU 13 Cb -0.20 -3.60 0.13 0.00 -4.31 0.00 0.00 34.13 26.15 2jrp s GLU 13 CO 0.23 -0.54 0.44 0.50 0.01 0.00 0.00 175.26 175.89 2jrp s ARG 14 N 2.51 2.74 0.00 1.61 3.52 -1.25 0.04 118.95 128.12 2jrp s ARG 14 Ca 0.59 -1.86 0.00 0.00 -0.13 0.00 0.00 55.73 54.33 2jrp s ARG 14 Cb -0.27 -4.07 0.00 0.00 -1.56 0.00 0.00 34.95 29.05 2jrp s ARG 14 CO 0.23 -1.24 0.00 -1.71 -0.81 0.00 0.00 175.30 171.77 2jrp n ASN 15 N 4.83 0.00 -3.44 -2.12 2.85 -0.34 -4.58 115.26 112.47 2jrp n ASN 15 Ca -0.07 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.00 2jrp n ASN 15 Cb 0.41 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.45 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 2.87 5.89 2.65 8.20 0.00 -1.26 -4.65 105.19 118.89 2jrp n GLY 16 Ca 0.00 -2.49 -0.15 0.00 0.00 0.00 0.00 46.02 43.38 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 0.02 -5.45 -4.65 1.61 -0.08 -1.26 -4.98 116.55 101.76 2jrp n ASP 17 Ca 0.50 0.36 -0.34 0.00 -1.51 0.00 0.00 54.79 53.80 2jrp n ASP 17 Cb 0.26 -4.24 -0.10 0.00 2.34 0.00 0.00 41.12 39.38 2jrp n ASP 17 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2jrp s THR 18 N -2.32 4.08 -0.37 5.18 2.01 -1.26 -4.05 115.64 118.91 2jrp s THR 18 Ca 0.00 -0.37 -0.05 0.00 0.31 0.00 0.00 61.69 61.58 2jrp s THR 18 Cb 0.00 -2.71 0.07 0.00 0.01 0.00 0.00 72.50 69.87 2jrp s THR 18 CO 0.00 0.58 0.15 0.00 -0.69 0.00 0.00 174.62 174.65 2jrp s ALA 19 N -0.88 3.08 -0.11 7.40 0.00 -0.58 -1.20 121.76 129.47 2jrp s ALA 19 Ca 0.14 -2.08 -0.26 0.00 0.00 0.00 0.00 51.96 49.75 2jrp s ALA 19 Cb -0.11 -2.32 -0.02 0.00 0.00 0.00 0.00 23.12 20.67 2jrp s ALA 19 CO 0.03 -1.54 0.86 -1.58 0.00 0.00 0.00 175.76 173.53 2jrp s HIS 20 N 1.29 3.50 0.08 0.00 2.46 0.11 0.09 115.29 122.82 2jrp s HIS 20 Ca 0.02 1.38 -0.30 0.00 0.47 0.00 0.00 55.06 56.62 2jrp s HIS 20 Cb -0.21 -3.01 -0.05 0.00 -0.13 0.00 0.00 32.58 29.17 2jrp s HIS 20 CO -0.00 -0.14 1.00 0.00 -2.47 0.00 0.00 174.74 173.14 2jrp h GLU 22 N 6.06 0.92 0.00 0.00 -0.00 -1.88 -3.11 114.58 116.57 2jrp h GLU 22 Ca -0.42 -0.27 -0.21 0.00 -0.00 0.00 0.00 59.36 58.46 2jrp h GLU 22 Cb 1.21 -0.09 -0.04 0.00 -0.00 0.00 0.00 28.75 29.83 2jrp h GLU 22 CO 0.74 0.92 -1.78 0.25 -0.00 0.00 0.00 179.01 179.14 2jrp n THR 23 N -4.19 0.78 1.05 -1.06 -2.24 -1.26 -4.51 114.28 102.86 2jrp n THR 23 Ca 0.03 -0.42 0.13 0.00 -2.27 0.00 0.00 64.05 61.52 2jrp n THR 23 Cb 0.33 -0.80 0.51 0.00 -2.10 0.00 0.00 70.33 68.28 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 -1.44 -0.75 -3.98 0.00 0.00 -1.17 -4.96 120.51 108.19 2jrp n ALA 25 Ca 0.07 0.19 -0.29 0.00 0.00 0.00 0.00 53.44 53.41 2jrp n ALA 25 Cb 0.33 -2.56 -0.17 0.00 0.00 0.00 0.00 19.45 17.06 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 -5.25 2.03 -0.06 0.00 2.20 -1.26 -4.93 119.74 112.47 2jrp s LYS 26 Ca 0.09 -0.49 -0.05 0.00 -0.36 0.00 0.00 55.97 55.17 2jrp s LYS 26 Cb -0.04 -1.98 -0.04 0.00 -1.51 0.00 0.00 37.83 34.26 2jrp s LYS 26 CO 0.12 -0.27 0.16 0.16 -0.36 0.00 0.00 175.35 175.16 2jrp s ASP 27 N 1.55 6.35 -0.19 1.43 -4.77 -1.26 -1.16 116.67 118.63 2jrp s ASP 27 Ca 0.04 0.40 -0.07 0.00 -3.30 0.00 0.00 52.55 49.63 2jrp s ASP 27 Cb -0.13 -2.02 -0.04 0.00 -1.09 0.00 0.00 42.92 39.64 2jrp s ASP 27 CO -0.10 0.33 0.04 -0.36 0.70 0.00 0.00 175.17 175.79 2jrp s PHE 28 N -1.18 3.16 -0.23 2.11 0.40 0.11 -4.90 117.98 117.46 2jrp s PHE 28 Ca 0.21 -0.11 -0.26 0.00 -0.60 0.00 0.00 56.93 56.17 2jrp s PHE 28 Cb -0.12 -2.08 -0.00 0.00 0.51 0.00 0.00 43.02 41.32 2jrp s PHE 28 CO 0.12 0.01 0.89 0.45 0.70 0.00 0.00 175.22 177.39 2jrp s SER 29 N 0.62 6.93 0.01 1.36 0.15 -1.26 -1.53 113.70 119.99 2jrp s SER 29 Ca 0.02 1.16 -0.02 0.00 0.70 0.00 0.00 55.95 57.82 2jrp s SER 29 Cb -0.13 -2.47 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 2jrp s SER 29 CO 0.02 -0.54 0.18 -0.76 1.20 0.00 0.00 173.24 173.34 2jrp s LEU 30 N 2.83 4.32 -0.16 3.45 1.43 -1.26 -1.80 118.68 127.49 2jrp s LEU 30 Ca 0.38 0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.79 2jrp s LEU 30 Cb -0.15 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.38 2jrp s LEU 30 CO 0.08 0.23 -0.16 -1.58 0.23 0.00 0.00 176.35 175.15 2jrp s GLN 31 N -2.11 3.17 -0.18 1.70 0.74 0.59 -4.84 119.66 118.72 2jrp s GLN 31 Ca 0.29 -0.77 -0.29 0.00 0.05 0.00 0.00 55.36 54.64 2jrp s GLN 31 Cb -0.13 -2.61 -0.02 0.00 1.10 0.00 0.00 33.01 31.35 2jrp s GLN 31 CO 0.21 -0.03 1.40 0.00 -0.55 0.00 0.00 175.29 176.32 2jrp s ALA 32 N 0.92 3.52 0.24 1.58 0.00 -1.26 -1.91 121.76 124.84 2jrp s ALA 32 Ca -0.04 0.47 0.07 0.00 0.00 0.00 0.00 51.96 52.46 2jrp s ALA 32 Cb -0.15 -3.72 -0.05 0.00 0.00 0.00 0.00 23.12 19.20 2jrp s ALA 32 CO -0.02 -1.48 -0.09 -1.17 0.00 0.00 0.00 175.76 173.00 2jrp s LEU 33 N 4.08 2.48 -0.22 0.00 2.96 -0.77 -4.79 118.68 122.42 2jrp s LEU 33 Ca 0.61 -1.12 -0.14 0.00 -0.22 0.00 0.00 54.13 53.26 2jrp s LEU 33 Cb -0.23 -0.59 -0.04 0.00 0.50 0.00 0.00 46.19 45.82 2jrp s LEU 33 CO 0.22 -0.30 0.30 0.00 -1.32 0.00 0.00 176.35 175.25 2jrp h PRO 35 N 7.45 0.00 0.00 0.00 0.13 -1.92 -2.78 132.00 134.87 2jrp h PRO 35 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2jrp h PRO 35 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2jrp h PRO 35 CO 0.69 0.00 -0.98 -0.40 -0.23 0.00 0.00 178.00 177.08 2jrp n ASP 36 N -2.66 0.68 -3.09 1.44 5.75 -1.26 -4.75 116.55 112.65 2jrp n ASP 36 Ca 0.02 0.07 0.02 0.00 -0.01 0.00 0.00 54.79 54.89 2jrp n ASP 36 Cb 0.32 0.59 -0.00 0.00 -1.03 0.00 0.00 41.12 40.99 2jrp n ASP 36 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jrp n ARG 38 N 4.35 3.10 -4.11 0.00 1.74 -1.07 -4.02 116.66 116.66 2jrp n ARG 38 Ca 0.09 -3.08 -0.10 0.00 -0.77 0.00 0.00 57.85 53.99 2jrp n ARG 38 Cb 0.58 -3.38 -0.09 0.00 -1.02 0.00 0.00 32.46 28.55 2jrp n ARG 38 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2jrp s GLN 39 N 3.58 1.02 -0.13 5.56 -1.52 -1.26 -5.03 119.66 121.88 2jrp s GLN 39 Ca 0.50 -1.39 -0.38 0.00 -1.95 0.00 0.00 55.36 52.14 2jrp s GLN 39 Cb 0.07 0.28 -0.15 0.00 -0.22 0.00 0.00 33.01 32.99 2jrp s GLN 39 CO 0.01 -0.32 1.63 -2.30 -0.25 0.00 0.00 175.29 174.07 2jrp n PRO 40 N -0.14 1.32 -1.90 2.91 -0.02 -1.26 -4.68 135.00 131.22 2jrp n PRO 40 Ca -0.05 0.48 -0.29 0.00 -2.02 0.00 0.00 63.50 61.62 2jrp n PRO 40 Cb 0.64 -2.17 0.20 0.00 -0.02 0.00 0.00 33.50 32.14 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 4.59 0.00 -4.62 2.45 4.77 -1.26 -5.00 117.00 117.93 2jrp n LEU 41 Ca 0.23 -1.46 -0.42 0.00 -0.03 0.00 0.00 56.01 54.33 2jrp n LEU 41 Cb 0.17 -0.99 -0.04 0.00 -2.33 0.00 0.00 43.42 40.24 2jrp n LEU 41 CO 0.74 -1.41 0.71 -1.58 -1.33 0.00 0.00 177.39 174.52 2jrp s GLN 42 N -5.82 3.99 -0.60 3.23 -0.44 -1.25 -4.90 119.66 113.86 2jrp s GLN 42 Ca 0.74 0.74 -0.28 0.00 -2.50 0.00 0.00 55.36 54.06 2jrp s GLN 42 Cb -0.02 -3.74 0.02 0.00 -1.64 0.00 0.00 33.01 27.63 2jrp s GLN 42 CO 0.52 -0.76 1.41 0.08 0.50 0.00 0.00 175.29 177.03 2jrp s VAL 43 N 3.20 3.76 -0.54 1.34 1.01 -1.26 -1.86 120.40 126.05 2jrp s VAL 43 Ca 0.37 0.60 -0.20 0.00 0.00 0.00 0.00 61.98 62.75 2jrp s VAL 43 Cb -0.13 -4.51 0.07 0.00 0.00 0.00 0.00 36.38 31.80 2jrp s VAL 43 CO 0.14 -1.29 0.69 -0.76 0.00 0.00 0.00 175.10 173.87 2jrp s LEU 44 N 6.15 4.93 -0.27 3.92 1.43 0.11 -4.95 118.68 130.01 2jrp s LEU 44 Ca 0.49 -0.96 -0.19 0.00 -1.03 0.00 0.00 54.13 52.44 2jrp s LEU 44 Cb -0.10 -2.46 -0.02 0.00 0.03 0.00 0.00 46.19 43.64 2jrp s LEU 44 CO 0.23 -1.00 0.59 -0.75 0.23 0.00 0.00 176.35 175.65 2jrp s LYS 45 N 2.85 4.05 0.00 1.70 2.20 -1.26 -0.60 119.74 128.68 2jrp s LYS 45 Ca 0.16 0.41 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 2jrp s LYS 45 Cb -0.19 -3.67 0.00 0.00 -1.51 0.00 0.00 37.83 32.46 2jrp s LYS 45 CO 0.11 -0.42 0.00 0.00 -0.36 0.00 0.00 175.35 174.68 2jrp n ALA 46 N 5.68 0.00 0.01 3.13 0.00 -0.56 -5.02 120.51 123.75 2jrp n ALA 46 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2jrp n ALA 46 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 2.59 5.10 3.49 0.00 0.00 -1.26 -5.01 105.19 110.09 2jrp n GLY 48 Ca 0.00 -1.31 -0.11 0.00 0.00 0.00 0.00 46.02 44.60 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 -3.26 -1.59 0.01 4.61 0.00 -1.26 -5.17 121.76 115.10 2jrp s ALA 49 Ca 0.41 0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.84 2jrp s ALA 49 Cb 0.38 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 24.31 2jrp s ALA 49 CO -0.05 -0.80 -0.04 0.54 0.00 0.00 0.00 175.76 175.42 2jrp s VAL 50 N -3.67 0.28 0.26 0.00 0.11 -1.26 -1.50 120.40 114.62 2jrp s VAL 50 Ca 0.03 -0.41 0.03 0.00 -2.93 0.00 0.00 61.98 58.69 2jrp s VAL 50 Cb -0.02 -0.29 -0.05 0.00 -1.53 0.00 0.00 36.38 34.49 2jrp s VAL 50 CO -0.10 -0.09 0.04 -0.62 -3.33 0.00 0.00 175.10 171.00 2jrp s ASP 51 N -0.54 1.78 -0.27 3.54 -1.08 0.23 -4.98 116.67 115.34 2jrp s ASP 51 Ca -0.03 -1.29 0.02 0.00 -0.52 0.00 0.00 52.55 50.72 2jrp s ASP 51 Cb -0.04 0.03 0.07 0.00 -1.46 0.00 0.00 42.92 41.52 2jrp s ASP 51 CO -0.00 -0.59 -0.03 -0.31 0.52 0.00 0.00 175.17 174.76 2jrp s TYR 52 N -3.48 2.91 -0.14 -5.34 2.02 -1.26 0.07 117.35 112.13 2jrp s TYR 52 Ca 0.32 -2.21 -0.11 0.00 -0.37 0.00 0.00 57.07 54.71 2jrp s TYR 52 Cb 0.07 -2.00 0.04 0.00 -0.40 0.00 0.00 41.96 39.67 2jrp s TYR 52 CO 0.11 -0.86 0.36 0.12 -1.57 0.00 0.00 175.55 173.72 2jrp s PHE 53 N 1.21 -0.45 -0.54 2.71 5.36 -0.78 -4.86 117.98 120.64 2jrp s PHE 53 Ca -0.02 1.04 -0.28 0.00 -0.96 0.00 0.00 56.93 56.71 2jrp s PHE 53 Cb -0.19 0.16 0.02 0.00 -0.34 0.00 0.00 43.02 42.68 2jrp s PHE 53 CO -0.08 -0.24 1.26 0.00 -1.46 0.00 0.00 175.22 174.70 2jrp h GLN 55 N 9.95 0.00 -3.07 0.00 4.20 -1.95 -3.35 115.11 120.89 2jrp h GLN 55 Ca -0.25 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.32 2jrp h GLN 55 Cb 1.07 0.00 -0.23 0.00 0.30 0.00 0.00 27.48 28.62 2jrp h GLN 55 CO 1.16 0.86 -0.34 -0.80 -0.67 0.00 0.00 178.83 179.04 2jrp s ASN 56 N -6.23 -0.23 0.00 1.46 -0.87 -1.26 -4.90 114.94 102.90 2jrp s ASN 56 Ca -0.18 0.32 0.00 0.00 -1.57 0.00 0.00 52.86 51.43 2jrp s ASN 56 Cb -0.01 0.46 0.00 0.00 -0.02 0.00 0.00 41.25 41.68 2jrp s ASN 56 CO 0.58 -0.26 0.00 0.61 -2.57 0.00 0.00 177.10 175.46 2jrp n GLY 57 N 2.14 0.75 1.06 0.66 0.00 -1.26 -4.88 105.19 103.64 2jrp n GLY 57 Ca -0.17 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2jrp n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2jrp n HIS 58 N -1.70 -2.29 0.00 1.61 -0.00 -1.26 -5.05 115.22 106.53 2jrp n HIS 58 Ca 0.00 0.37 0.00 0.00 -0.00 0.00 0.00 57.72 58.09 2jrp n HIS 58 Cb 0.46 1.15 0.00 0.00 -0.00 0.00 0.00 29.99 31.60 2jrp n HIS 58 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2jrp n GLY 59 N -1.40 2.04 3.74 1.57 0.00 -1.26 -4.91 105.19 104.98 2jrp n GLY 59 Ca 0.00 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 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 3.59 0.22 0.99 2.34 -1.26 -4.69 118.68 119.87 2jrp s LEU 60 Ca 0.00 2.56 0.05 0.00 0.06 0.00 0.00 54.13 56.81 2jrp s LEU 60 Cb 0.00 -4.61 -0.05 0.00 -0.56 0.00 0.00 46.19 40.97 2jrp s LEU 60 CO 0.00 -1.92 -0.07 -0.63 -1.06 0.00 0.00 176.35 172.67 2jrp s ILE 61 N -1.46 1.38 -0.25 1.48 1.09 -1.26 -5.03 121.20 117.15 2jrp s ILE 61 Ca 0.81 -2.10 -0.29 0.00 -1.10 0.00 0.00 60.65 57.97 2jrp s ILE 61 Cb -0.36 -2.20 -0.02 0.00 -1.06 0.00 0.00 42.46 38.82 2jrp s ILE 61 CO 0.38 -0.47 1.54 -0.44 -0.10 0.00 0.00 174.94 175.85 2jrp s SER 62 N -3.32 6.44 0.00 3.58 0.01 -1.26 -4.88 113.70 114.28 2jrp s SER 62 Ca 0.25 1.49 0.20 0.00 1.31 0.00 0.00 55.95 59.21 2jrp s SER 62 Cb 0.03 -2.53 1.22 0.00 0.21 0.00 0.00 66.02 64.94 2jrp s SER 62 CO 0.07 -1.23 1.62 2.29 0.41 0.00 0.00 173.24 176.41 2jrp n LYS 63 N 7.60 0.71 0.15 12.44 2.85 -1.26 -0.32 118.16 140.33 2jrp n LYS 63 Ca 0.18 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.47 2jrp n LYS 63 Cb 0.46 -1.45 0.05 0.00 -0.65 0.00 0.00 35.03 33.44 2jrp n LYS 63 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 2jrp h LYS 64 N 0.00 0.00 -0.17 -1.58 1.57 -2.05 -3.34 116.57 110.99 2jrp h LYS 64 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2jrp h LYS 64 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 2jrp h LYS 64 CO 0.00 0.45 -0.27 -2.13 -0.57 0.00 0.00 179.45 176.93 2jrp n ARG 65 N -3.22 1.73 -2.11 3.15 0.63 0.57 -5.02 116.66 112.38 2jrp n ARG 65 Ca 0.02 -3.21 -0.39 0.00 -0.92 0.00 0.00 57.85 53.35 2jrp n ARG 65 Cb 0.71 -1.71 -0.01 0.00 0.45 0.00 0.00 32.46 31.90 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 -3.22 2.76 -1.21 5.15 1.01 -1.21 -4.79 120.40 118.90 2jrp s VAL 66 Ca 0.41 0.65 -0.19 0.00 0.00 0.00 0.00 61.98 62.85 2jrp s VAL 66 Cb 0.38 -3.37 0.07 0.00 0.00 0.00 0.00 36.38 33.46 2jrp s VAL 66 CO -0.03 0.07 1.64 0.21 0.00 0.00 0.00 175.10 176.99 2jrp s ASN 67 N -0.91 6.74 -0.60 3.32 3.04 0.21 -4.88 114.94 121.86 2jrp s ASN 67 Ca 0.58 -2.16 -0.28 0.00 0.04 0.00 0.00 52.86 51.04 2jrp s ASN 67 Cb -0.35 -2.57 0.01 0.00 -1.54 0.00 0.00 41.25 36.80 2jrp s ASN 67 CO 0.45 -1.26 1.43 -0.36 -3.04 0.00 0.00 177.10 174.32 2jrp s PHE 68 N 4.36 2.23 0.14 0.43 0.08 -1.26 -1.86 117.98 122.10 2jrp s PHE 68 Ca 0.51 0.40 0.05 0.00 0.12 0.00 0.00 56.93 58.01 2jrp s PHE 68 Cb 0.03 -4.41 -0.04 0.00 -0.57 0.00 0.00 43.02 38.02 2jrp s PHE 68 CO 0.02 -2.02 0.10 0.14 -0.10 0.00 0.00 175.22 173.36 2jrp s VAL 69 N 6.26 4.40 0.00 -0.44 -7.23 -0.80 -4.87 120.40 117.72 2jrp s VAL 69 Ca 0.50 -1.01 -0.30 0.00 -1.81 0.00 0.00 61.98 59.36 2jrp s VAL 69 Cb -0.10 -3.20 -0.06 0.00 0.56 0.00 0.00 36.38 33.58 2jrp s VAL 69 CO 0.23 -0.03 1.53 -0.63 -0.31 0.00 0.00 175.10 175.89 2jrp s ILE 70 N -1.62 3.50 -0.68 -0.62 1.01 -1.26 -0.30 121.20 121.22 2jrp s ILE 70 Ca 0.30 0.84 -0.26 0.00 0.00 0.00 0.00 60.65 61.53 2jrp s ILE 70 Cb -0.11 -3.54 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 2jrp s ILE 70 CO 0.22 -0.02 1.83 -0.55 0.00 0.00 0.00 174.94 176.42 2jrp s SER 71 N 2.36 5.34 0.42 3.58 0.15 -0.75 -4.86 113.70 119.93 2jrp s SER 71 Ca 0.69 0.05 -0.19 0.00 0.70 0.00 0.00 55.95 57.20 2jrp s SER 71 Cb -0.34 -2.54 -0.10 0.00 -1.71 0.00 0.00 66.02 61.33 2jrp s SER 71 CO 0.28 -2.39 0.91 -1.81 1.20 0.00 0.00 173.24 171.44 2jrp s ASP 72 N 7.70 6.85 0.00 5.45 1.01 -1.26 -4.95 116.67 131.48 2jrp s ASP 72 Ca 0.65 1.59 0.22 0.00 0.71 0.00 0.00 52.55 55.72 2jrp s ASP 72 Cb -0.11 -2.50 0.65 0.00 1.01 0.00 0.00 42.92 41.97 2jrp s ASP 72 CO 0.16 -0.37 1.50 0.00 0.21 0.00 0.00 175.17 176.67 2jrp n GLN 73 N -0.75 1.96 -2.28 8.23 6.02 -1.26 -4.58 117.38 124.72 2jrp n GLN 73 Ca 0.06 -1.44 -0.43 0.00 -0.01 0.00 0.00 57.00 55.19 2jrp n GLN 73 Cb 0.54 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.37 2jrp n GLN 73 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2jrp n LEU 74 N 0.67 6.09 0.09 1.08 4.77 -1.26 -4.74 117.00 123.70 2jrp n LEU 74 Ca 0.17 -4.26 -0.09 0.00 -0.03 0.00 0.00 56.01 51.80 2jrp n LEU 74 Cb 0.42 -1.63 -0.06 0.00 -2.33 0.00 0.00 43.42 39.82 2jrp n LEU 74 CO 0.14 0.88 0.30 -0.33 -1.33 0.00 0.00 177.39 177.05 2jrp h GLU 75 N 6.50 -0.30 -6.32 3.23 5.08 -2.03 -3.41 114.58 117.32 2jrp h GLU 75 Ca 0.46 0.02 -0.58 0.00 -1.00 0.00 0.00 59.36 58.26 2jrp h GLU 75 Cb 0.73 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.96 2jrp h GLU 75 CO 1.62 0.02 0.80 -1.01 -1.00 0.00 0.00 179.01 179.43 2jrp s HIS 76 N -3.21 2.73 -0.73 4.33 3.76 -1.26 -4.86 115.29 116.04 2jrp s HIS 76 Ca -0.10 0.31 0.26 0.00 -0.15 0.00 0.00 55.06 55.38 2jrp s HIS 76 Cb 0.00 -4.30 0.76 0.00 1.11 0.00 0.00 32.58 30.15 2jrp s HIS 76 CO 0.36 -1.42 1.72 1.58 -0.85 0.00 0.00 174.74 176.13 2jrp n HIS 77 N 7.91 0.85 -4.55 1.40 -0.00 -1.26 -4.67 115.22 114.90 2jrp n HIS 77 Ca 0.07 0.25 -0.33 0.00 0.46 0.00 0.00 57.72 58.16 2jrp n HIS 77 Cb 0.48 -0.89 -0.13 0.00 -0.12 0.00 0.00 29.99 29.34 2jrp n HIS 77 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2jrp s HIS 78 N -3.11 2.95 0.00 1.57 5.65 -1.26 -5.02 115.29 116.07 2jrp s HIS 78 Ca 0.10 -0.37 0.00 0.00 0.25 0.00 0.00 55.06 55.04 2jrp s HIS 78 Cb 0.13 -1.89 0.00 0.00 -1.18 0.00 0.00 32.58 29.63 2jrp s HIS 78 CO 0.61 -0.05 0.00 0.72 -0.65 0.00 0.00 174.74 175.37 2jrp n HIS 79 N 3.38 0.00 -3.66 3.88 -0.00 -1.26 -5.13 115.22 112.42 2jrp n HIS 79 Ca -0.18 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.41 2jrp n HIS 79 Cb 0.53 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.44 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 -0.29 -0.70 -2.94 4.41 2.46 -1.26 -5.26 115.29 111.71 2jrp s HIS 80 Ca 0.00 1.70 0.24 0.00 0.47 0.00 0.00 55.06 57.47 2jrp s HIS 80 Cb 0.00 0.25 0.29 0.00 -0.13 0.00 0.00 32.58 32.99 2jrp s HIS 80 CO 0.00 -0.34 1.32 1.58 -2.47 0.00 0.00 174.74 174.83