#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 3.29 -0.67 0.03 4.04 -1.26 -5.05 118.70 119.08 2jrp s GLU 2 Ca 0.00 -0.51 -0.27 0.00 0.04 0.00 0.00 54.97 54.23 2jrp s GLU 2 Cb 0.00 -2.95 0.03 0.00 0.02 0.00 0.00 34.13 31.23 2jrp s GLU 2 CO 0.00 0.60 1.21 0.42 -1.84 0.00 0.00 175.26 175.65 2jrp s ILE 3 N -1.49 3.89 -0.16 1.83 1.09 -1.26 -4.95 121.20 120.15 2jrp s ILE 3 Ca 0.33 0.53 -0.29 0.00 -1.10 0.00 0.00 60.65 60.12 2jrp s ILE 3 Cb -0.13 -4.82 -0.01 0.00 -1.06 0.00 0.00 42.46 36.44 2jrp s ILE 3 CO 0.26 -1.62 1.13 -0.89 -0.10 0.00 0.00 174.94 173.72 2jrp s THR 4 N 5.28 4.50 0.05 2.92 2.01 -1.26 -0.69 115.64 128.45 2jrp s THR 4 Ca 0.37 1.81 -0.31 0.00 0.31 0.00 0.00 61.69 63.87 2jrp s THR 4 Cb -0.09 -4.17 -0.07 0.00 0.01 0.00 0.00 72.50 68.19 2jrp s THR 4 CO 0.19 -0.11 1.52 0.00 -0.69 0.00 0.00 174.62 175.52 2jrp h PRO 6 N 7.89 0.00 0.00 0.00 0.13 -1.94 0.01 132.00 138.08 2jrp h PRO 6 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2jrp h PRO 6 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2jrp h PRO 6 CO 0.91 0.14 -0.11 0.28 -0.23 0.00 0.00 178.00 178.99 2jrp h VAL 7 N 0.00 0.00 -0.00 1.56 2.07 -1.96 -3.38 116.25 114.53 2jrp h VAL 7 Ca -0.00 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2jrp h VAL 7 Cb 0.45 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 2jrp h VAL 7 CO 0.02 0.00 -0.11 0.00 0.02 0.00 0.00 177.57 177.50 2jrp n HIS 9 N -1.10 -1.92 -4.10 0.00 -0.00 -0.01 -4.99 115.22 103.10 2jrp n HIS 9 Ca 0.13 0.82 -0.08 0.00 0.46 0.00 0.00 57.72 59.05 2jrp n HIS 9 Cb 0.28 -4.33 -0.10 0.00 -0.12 0.00 0.00 29.99 25.73 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 -3.66 0.58 0.01 1.57 3.76 -1.22 -4.90 115.29 111.43 2jrp s HIS 10 Ca 0.03 -1.04 -0.30 0.00 -0.15 0.00 0.00 55.06 53.61 2jrp s HIS 10 Cb -0.01 -0.41 -0.06 0.00 1.11 0.00 0.00 32.58 33.21 2jrp s HIS 10 CO 0.81 -0.34 1.50 0.00 -0.85 0.00 0.00 174.74 175.87 2jrp s ALA 11 N -3.84 3.62 0.58 -1.40 0.00 -1.26 -0.21 121.76 119.25 2jrp s ALA 11 Ca 0.08 0.98 -0.17 0.00 0.00 0.00 0.00 51.96 52.85 2jrp s ALA 11 Cb 0.07 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 2jrp s ALA 11 CO -0.09 -1.04 1.08 -0.51 0.00 0.00 0.00 175.76 175.21 2jrp s LEU 12 N 2.69 3.58 -0.45 0.00 1.43 0.13 -4.78 118.68 121.28 2jrp s LEU 12 Ca 0.68 1.95 -0.13 0.00 -1.03 0.00 0.00 54.13 55.59 2jrp s LEU 12 Cb -0.34 -4.55 0.07 0.00 0.03 0.00 0.00 46.19 41.40 2jrp s LEU 12 CO 0.28 -1.23 0.35 -0.70 0.23 0.00 0.00 176.35 175.28 2jrp s GLU 13 N -3.78 2.87 0.09 1.70 2.12 -0.76 -4.70 118.70 116.24 2jrp s GLU 13 Ca 0.67 -1.37 -0.25 0.00 0.36 0.00 0.00 54.97 54.39 2jrp s GLU 13 Cb -0.19 -4.01 -0.06 0.00 0.26 0.00 0.00 34.13 30.12 2jrp s GLU 13 CO 0.33 -0.99 0.75 -0.98 -0.54 0.00 0.00 175.26 173.83 2jrp s ARG 14 N 1.58 4.50 -0.13 4.30 1.04 -1.26 -0.15 118.95 128.83 2jrp s ARG 14 Ca 0.04 1.07 0.18 0.00 -1.04 0.00 0.00 55.73 55.97 2jrp s ARG 14 Cb -0.24 -3.32 -0.25 0.00 -2.04 0.00 0.00 34.95 29.11 2jrp s ARG 14 CO 0.05 0.42 0.28 0.09 -0.04 0.00 0.00 175.30 176.11 2jrp n ASN 15 N 2.27 0.19 0.00 -2.89 4.13 0.97 -4.93 115.26 115.00 2jrp n ASN 15 Ca -0.04 0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.31 2jrp n ASN 15 Cb 0.50 0.94 0.00 0.00 -1.54 0.00 0.00 39.78 39.68 2jrp n ASN 15 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jrp n GLY 16 N 1.61 0.25 0.09 7.41 0.00 -1.26 -4.84 105.19 108.45 2jrp n GLY 16 Ca -0.24 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 45.89 2jrp n GLY 16 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jrp n ASP 17 N 0.00 0.74 -4.13 1.61 8.00 -1.26 -4.63 116.55 116.88 2jrp n ASP 17 Ca 0.00 0.41 -0.21 0.00 0.71 0.00 0.00 54.79 55.71 2jrp n ASP 17 Cb 0.00 -0.46 -0.14 0.00 -0.02 0.00 0.00 41.12 40.50 2jrp n ASP 17 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2jrp s THR 18 N -3.12 1.10 -0.34 -3.53 2.01 -1.26 -0.12 115.64 110.38 2jrp s THR 18 Ca 0.09 -0.87 -0.05 0.00 0.31 0.00 0.00 61.69 61.18 2jrp s THR 18 Cb 0.13 -0.97 0.05 0.00 0.01 0.00 0.00 72.50 71.72 2jrp s THR 18 CO 0.64 0.10 0.10 0.00 -0.69 0.00 0.00 174.62 174.77 2jrp s ALA 19 N -0.68 3.02 -0.21 7.40 0.00 0.13 -0.02 121.76 131.39 2jrp s ALA 19 Ca 0.03 -1.89 -0.23 0.00 0.00 0.00 0.00 51.96 49.87 2jrp s ALA 19 Cb -0.07 -2.23 -0.02 0.00 0.00 0.00 0.00 23.12 20.80 2jrp s ALA 19 CO 0.01 -1.41 0.73 -1.58 0.00 0.00 0.00 175.76 173.51 2jrp s HIS 20 N 1.33 3.35 -0.09 0.00 2.46 0.79 -0.33 115.29 122.81 2jrp s HIS 20 Ca -0.01 1.03 -0.30 0.00 0.47 0.00 0.00 55.06 56.25 2jrp s HIS 20 Cb -0.20 -2.92 -0.02 0.00 -0.13 0.00 0.00 32.58 29.31 2jrp s HIS 20 CO 0.01 -0.28 1.04 0.00 -2.47 0.00 0.00 174.74 173.04 2jrp n GLU 22 N 4.94 0.32 0.07 0.00 -0.00 -1.26 -3.31 120.64 121.40 2jrp n GLU 22 Ca 0.09 0.08 0.00 0.00 -0.00 0.00 0.00 57.16 57.33 2jrp n GLU 22 Cb 0.48 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 30.42 2jrp n GLU 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 2jrp n THR 23 N -1.27 0.34 1.68 3.84 -1.04 -1.26 -4.81 114.28 111.76 2jrp n THR 23 Ca 0.10 0.11 0.15 0.00 -2.04 0.00 0.00 64.05 62.37 2jrp n THR 23 Cb 0.16 -0.97 0.82 0.00 -1.82 0.00 0.00 70.33 68.53 2jrp n THR 23 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jrp n ALA 25 N -1.10 -0.35 -2.80 0.00 0.00 -1.21 -4.96 120.51 110.09 2jrp n ALA 25 Ca 0.19 0.32 -0.33 0.00 0.00 0.00 0.00 53.44 53.62 2jrp n ALA 25 Cb 0.15 -2.07 -0.07 0.00 0.00 0.00 0.00 19.45 17.46 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 -3.92 3.13 -0.16 0.00 2.20 -1.26 -4.89 119.74 114.85 2jrp s LYS 26 Ca 0.00 -0.45 -0.03 0.00 -0.36 0.00 0.00 55.97 55.13 2jrp s LYS 26 Cb 0.00 -2.90 -0.03 0.00 -1.51 0.00 0.00 37.83 33.39 2jrp s LYS 26 CO 0.00 0.66 -0.05 -0.51 -0.36 0.00 0.00 175.35 175.09 2jrp s ASP 27 N -1.73 4.71 0.16 1.43 1.01 -1.26 -0.52 116.67 120.47 2jrp s ASP 27 Ca 0.23 -0.16 0.06 0.00 0.71 0.00 0.00 52.55 53.39 2jrp s ASP 27 Cb -0.12 -1.77 -0.04 0.00 1.01 0.00 0.00 42.92 42.00 2jrp s ASP 27 CO 0.14 0.16 0.04 -0.36 0.21 0.00 0.00 175.17 175.36 2jrp s PHE 28 N 0.41 2.96 -0.10 4.23 0.08 0.55 -4.91 117.98 121.20 2jrp s PHE 28 Ca -0.04 -0.08 -0.23 0.00 0.12 0.00 0.00 56.93 56.70 2jrp s PHE 28 Cb -0.14 -1.44 -0.03 0.00 -0.57 0.00 0.00 43.02 40.83 2jrp s PHE 28 CO 0.03 0.51 0.68 -1.12 -0.10 0.00 0.00 175.22 175.22 2jrp s SER 29 N -2.92 6.90 0.00 1.36 0.01 -1.26 0.23 113.70 118.02 2jrp s SER 29 Ca 0.28 1.09 0.05 0.00 1.31 0.00 0.00 55.95 58.68 2jrp s SER 29 Cb -0.10 -2.39 -0.03 0.00 0.21 0.00 0.00 66.02 63.71 2jrp s SER 29 CO 0.20 -0.16 -0.13 -0.76 0.41 0.00 0.00 173.24 172.81 2jrp s LEU 30 N 1.10 2.86 -0.03 2.44 1.43 0.83 -4.19 118.68 123.11 2jrp s LEU 30 Ca 0.35 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 2jrp s LEU 30 Cb -0.17 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.42 2jrp s LEU 30 CO 0.15 0.29 -0.03 -1.10 0.23 0.00 0.00 176.35 175.90 2jrp s GLN 31 N -1.24 0.55 -0.77 1.70 -0.21 -0.78 -4.53 119.66 114.38 2jrp s GLN 31 Ca 0.15 -0.05 -0.26 0.00 0.02 0.00 0.00 55.36 55.21 2jrp s GLN 31 Cb -0.11 -0.62 0.03 0.00 1.00 0.00 0.00 33.01 33.32 2jrp s GLN 31 CO 0.05 -0.06 1.34 0.00 -2.12 0.00 0.00 175.29 174.50 2jrp s ALA 32 N 0.75 2.70 0.14 6.09 0.00 -1.26 -2.13 121.76 128.05 2jrp s ALA 32 Ca -0.09 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.42 2jrp s ALA 32 Cb -0.12 -4.30 -0.04 0.00 0.00 0.00 0.00 23.12 18.66 2jrp s ALA 32 CO -0.01 -3.38 0.30 -0.51 0.00 0.00 0.00 175.76 172.17 2jrp s LEU 33 N 5.85 4.31 -0.13 0.00 1.43 -0.14 -4.79 118.68 125.19 2jrp s LEU 33 Ca 0.38 0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 53.67 2jrp s LEU 33 Cb -0.07 -3.04 -0.05 0.00 0.03 0.00 0.00 46.19 43.06 2jrp s LEU 33 CO 0.12 0.06 0.27 0.00 0.23 0.00 0.00 176.35 177.02 2jrp h PRO 35 N 6.07 0.34 0.00 0.00 0.13 -1.97 -3.30 132.00 133.27 2jrp h PRO 35 Ca -0.45 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2jrp h PRO 35 Cb 1.18 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2jrp h PRO 35 CO 0.70 0.22 0.00 -0.40 -0.23 0.00 0.00 178.00 178.30 2jrp n ASP 36 N -5.07 0.00 -4.51 1.44 5.75 -1.26 -4.83 116.55 108.08 2jrp n ASP 36 Ca 0.27 0.00 -0.47 0.00 -0.01 0.00 0.00 54.79 54.59 2jrp n ASP 36 Cb 0.83 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.86 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 8.47 3.94 0.07 0.00 1.74 -1.24 -3.39 116.66 126.25 2jrp n ARG 38 Ca 0.38 -3.03 0.00 0.00 -0.77 0.00 0.00 57.85 54.43 2jrp n ARG 38 Cb 0.32 -2.08 0.00 0.00 -1.02 0.00 0.00 32.46 29.68 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 0.06 0.00 -0.58 5.56 6.02 -1.26 -4.86 117.38 122.31 2jrp n GLN 39 Ca 0.26 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 57.22 2jrp n GLN 39 Cb 1.08 -0.21 -0.01 0.00 1.02 0.00 0.00 30.24 32.13 2jrp n GLN 39 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2jrp n PRO 40 N -3.22 1.16 -2.85 -1.09 -0.04 -1.26 -4.87 135.00 122.83 2jrp n PRO 40 Ca 0.00 -0.24 -0.40 0.00 -0.04 0.00 0.00 63.50 62.81 2jrp n PRO 40 Cb 0.00 -1.13 -0.05 0.00 -0.04 0.00 0.00 33.50 32.28 2jrp n PRO 40 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2jrp s LEU 41 N -0.21 4.53 0.25 1.53 1.02 -1.26 -4.94 118.68 119.60 2jrp s LEU 41 Ca 0.08 1.69 -0.30 0.00 0.02 0.00 0.00 54.13 55.63 2jrp s LEU 41 Cb 0.05 -3.44 -0.09 0.00 0.02 0.00 0.00 46.19 42.73 2jrp s LEU 41 CO -0.00 0.04 1.22 -1.10 0.02 0.00 0.00 176.35 176.53 2jrp s GLN 42 N -0.41 4.48 -0.92 1.70 -0.21 -1.21 -4.78 119.66 118.32 2jrp s GLN 42 Ca 0.42 1.97 -0.16 0.00 0.02 0.00 0.00 55.36 57.60 2jrp s GLN 42 Cb -0.23 -3.18 0.17 0.00 1.00 0.00 0.00 33.01 30.78 2jrp s GLN 42 CO 0.28 -0.05 1.02 0.08 -2.12 0.00 0.00 175.29 174.49 2jrp s VAL 43 N -0.62 5.12 -0.82 1.09 1.01 -1.26 -1.34 120.40 123.59 2jrp s VAL 43 Ca 0.50 -2.04 -0.26 0.00 0.00 0.00 0.00 61.98 60.19 2jrp s VAL 43 Cb -0.35 -4.67 0.03 0.00 0.00 0.00 0.00 36.38 31.39 2jrp s VAL 43 CO 0.42 -1.33 1.37 -0.76 0.00 0.00 0.00 175.10 174.80 2jrp s LEU 44 N 1.55 3.26 -0.56 3.92 1.43 0.12 -4.87 118.68 123.54 2jrp s LEU 44 Ca 0.28 -0.71 -0.21 0.00 -1.03 0.00 0.00 54.13 52.46 2jrp s LEU 44 Cb -0.07 -2.56 0.06 0.00 0.03 0.00 0.00 46.19 43.66 2jrp s LEU 44 CO -0.09 -1.79 0.79 -0.54 0.23 0.00 0.00 176.35 174.95 2jrp s LYS 45 N 5.61 3.16 0.24 1.70 1.02 -1.26 -0.58 119.74 129.62 2jrp s LYS 45 Ca 0.40 -0.80 0.02 0.00 0.02 0.00 0.00 55.97 55.61 2jrp s LYS 45 Cb -0.06 -4.14 -0.01 0.00 -0.52 0.00 0.00 37.83 33.10 2jrp s LYS 45 CO 0.08 -1.47 0.06 0.00 -0.92 0.00 0.00 175.35 173.10 2jrp n ALA 46 N 6.84 0.30 0.02 5.17 0.00 -0.82 -5.02 120.51 127.01 2jrp n ALA 46 Ca -0.04 -1.18 -0.05 0.00 0.00 0.00 0.00 53.44 52.17 2jrp n ALA 46 Cb 0.45 0.76 0.16 0.00 0.00 0.00 0.00 19.45 20.82 2jrp n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jrp h GLY 48 N 1.10 -0.46 -0.38 0.00 0.00 -1.98 -3.49 103.07 97.86 2jrp h GLY 48 Ca 0.04 0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 2jrp h GLY 48 CO 0.07 -0.17 0.12 0.00 0.00 0.00 0.00 176.54 176.55 2jrp n ALA 49 N -2.33 -0.68 -3.34 3.60 0.00 -1.24 -5.11 120.51 111.41 2jrp n ALA 49 Ca -0.06 -0.44 -0.44 0.00 0.00 0.00 0.00 53.44 52.51 2jrp n ALA 49 Cb 0.18 0.34 -0.07 0.00 0.00 0.00 0.00 19.45 19.90 2jrp n ALA 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2jrp s VAL 50 N -2.64 4.78 -0.24 0.00 -7.23 -1.26 -1.94 120.40 111.87 2jrp s VAL 50 Ca 0.06 -1.54 -0.15 0.00 -1.81 0.00 0.00 61.98 58.54 2jrp s VAL 50 Cb -0.02 -4.05 -0.04 0.00 0.56 0.00 0.00 36.38 32.84 2jrp s VAL 50 CO 0.04 -0.77 0.37 -1.81 -0.31 0.00 0.00 175.10 172.62 2jrp s ASP 51 N 3.02 6.31 -0.77 4.85 1.01 0.25 -4.84 116.67 126.50 2jrp s ASP 51 Ca 0.04 0.36 -0.22 0.00 0.71 0.00 0.00 52.55 53.44 2jrp s ASP 51 Cb -0.27 -2.21 0.08 0.00 1.01 0.00 0.00 42.92 41.52 2jrp s ASP 51 CO 0.02 -0.14 1.10 -0.31 0.21 0.00 0.00 175.17 176.06 2jrp s TYR 52 N 1.75 2.70 -0.09 4.23 1.51 -1.26 0.16 117.35 126.36 2jrp s TYR 52 Ca 0.16 -0.70 -0.04 0.00 -1.01 0.00 0.00 57.07 55.48 2jrp s TYR 52 Cb -0.15 -4.38 0.05 0.00 -0.11 0.00 0.00 41.96 37.36 2jrp s TYR 52 CO 0.09 -1.71 0.19 0.12 -1.11 0.00 0.00 175.55 173.13 2jrp s PHE 53 N 4.10 -0.25 -0.97 2.71 5.36 -0.45 -4.84 117.98 123.64 2jrp s PHE 53 Ca 0.29 0.70 -0.24 0.00 -0.96 0.00 0.00 56.93 56.72 2jrp s PHE 53 Cb -0.11 -0.13 -0.03 0.00 -0.34 0.00 0.00 43.02 42.41 2jrp s PHE 53 CO 0.04 -0.27 1.83 0.00 -1.46 0.00 0.00 175.22 175.36 2jrp h GLN 55 N 10.68 0.00 -4.87 0.00 4.15 -1.93 0.19 115.11 123.32 2jrp h GLN 55 Ca 0.14 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.22 2jrp h GLN 55 Cb 0.99 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 28.54 2jrp h GLN 55 CO 1.27 0.10 -0.62 -0.80 -1.93 0.00 0.00 178.83 176.85 2jrp s ASN 56 N -5.60 1.12 0.00 -0.69 -0.87 -1.26 -4.68 114.94 102.96 2jrp s ASN 56 Ca -0.00 -1.38 0.00 0.00 -1.57 0.00 0.00 52.86 49.91 2jrp s ASN 56 Cb 0.09 0.18 0.00 0.00 -0.02 0.00 0.00 41.25 41.49 2jrp s ASN 56 CO 0.78 -0.74 0.00 0.61 -2.57 0.00 0.00 177.10 175.19 2jrp n GLY 57 N -0.45 2.00 0.00 0.66 0.00 -1.26 -4.21 105.19 101.93 2jrp n GLY 57 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 0.00 0.00 1.61 -0.00 -1.26 -5.13 115.22 110.44 2jrp n HIS 58 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jrp n HIS 58 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 29.99 29.94 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 2.16 4.13 3.58 1.57 0.00 -1.22 -5.06 105.19 110.35 2jrp n GLY 59 Ca 0.00 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 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 3.43 -0.02 0.99 2.34 0.05 -4.50 118.68 120.97 2jrp s LEU 60 Ca 0.00 1.51 -0.25 0.00 0.06 0.00 0.00 54.13 55.45 2jrp s LEU 60 Cb 0.00 -3.16 -0.04 0.00 -0.56 0.00 0.00 46.19 42.43 2jrp s LEU 60 CO 0.00 -2.24 0.76 -0.63 -1.06 0.00 0.00 176.35 173.18 2jrp s ILE 61 N 9.41 4.91 0.43 1.48 -1.09 -1.26 -5.02 121.20 130.05 2jrp s ILE 61 Ca 0.96 1.59 -0.25 0.00 -2.23 0.00 0.00 60.65 60.72 2jrp s ILE 61 Cb -0.26 -4.10 -0.10 0.00 -1.58 0.00 0.00 42.46 36.42 2jrp s ILE 61 CO 0.31 0.28 1.10 -0.24 -1.23 0.00 0.00 174.94 175.17 2jrp n SER 62 N 3.43 1.71 0.00 3.58 2.88 -1.26 -4.72 113.62 119.25 2jrp n SER 62 Ca -0.01 1.05 0.08 0.00 -1.33 0.00 0.00 58.87 58.67 2jrp n SER 62 Cb 0.51 -1.41 0.41 0.00 -0.75 0.00 0.00 64.21 62.97 2jrp n SER 62 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2jrp n LYS 63 N 0.06 0.25 0.07 -1.46 5.02 -1.26 -0.25 118.16 120.58 2jrp n LYS 63 Ca 0.09 0.13 0.12 0.00 -2.02 0.00 0.00 58.31 56.62 2jrp n LYS 63 Cb 0.39 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.97 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 -1.27 0.44 -0.01 1.97 4.76 -1.26 -4.24 118.16 118.55 2jrp n LYS 64 Ca 0.08 0.08 0.06 0.00 -2.87 0.00 0.00 58.31 55.66 2jrp n LYS 64 Cb 0.12 -1.73 -0.12 0.00 -1.84 0.00 0.00 35.03 31.47 2jrp n LYS 64 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2jrp n ARG 65 N -2.35 0.60 -2.05 1.97 5.12 0.65 -4.96 116.66 115.65 2jrp n ARG 65 Ca 0.01 -0.12 -0.41 0.00 -1.93 0.00 0.00 57.85 55.41 2jrp n ARG 65 Cb 0.49 -1.36 -0.02 0.00 -1.16 0.00 0.00 32.46 30.42 2jrp n ARG 65 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2jrp s VAL 66 N -2.96 2.57 -0.80 1.55 -7.23 -0.07 -4.87 120.40 108.60 2jrp s VAL 66 Ca -0.06 0.58 -0.18 0.00 -1.81 0.00 0.00 61.98 60.51 2jrp s VAL 66 Cb 0.09 -3.37 0.14 0.00 0.56 0.00 0.00 36.38 33.80 2jrp s VAL 66 CO 0.62 0.14 0.93 0.20 -0.31 0.00 0.00 175.10 176.68 2jrp s ASN 67 N -0.43 6.50 -0.75 4.85 0.01 -0.04 -4.87 114.94 120.21 2jrp s ASN 67 Ca 0.50 -1.93 -0.26 0.00 -0.71 0.00 0.00 52.86 50.46 2jrp s ASN 67 Cb -0.41 -2.34 0.00 0.00 0.41 0.00 0.00 41.25 38.91 2jrp s ASN 67 CO 0.55 -1.01 1.63 -0.36 -1.51 0.00 0.00 177.10 176.39 2jrp s PHE 68 N 2.30 2.00 0.23 2.20 0.40 -1.26 -0.97 117.98 122.88 2jrp s PHE 68 Ca 0.23 0.27 0.05 0.00 -0.60 0.00 0.00 56.93 56.89 2jrp s PHE 68 Cb -0.12 -4.34 -0.05 0.00 0.51 0.00 0.00 43.02 39.02 2jrp s PHE 68 CO -0.04 -2.10 -0.06 0.14 0.70 0.00 0.00 175.22 173.87 2jrp s VAL 69 N 7.59 1.35 -1.24 -0.44 -7.23 -0.90 -4.89 120.40 114.64 2jrp s VAL 69 Ca 0.54 -2.09 -0.16 0.00 -1.81 0.00 0.00 61.98 58.46 2jrp s VAL 69 Cb -0.09 -2.25 0.12 0.00 0.56 0.00 0.00 36.38 34.73 2jrp s VAL 69 CO 0.11 -0.43 1.57 -0.63 -0.31 0.00 0.00 175.10 175.41 2jrp s ILE 70 N -3.21 4.62 -0.27 -0.62 1.01 -1.26 -1.86 121.20 119.61 2jrp s ILE 70 Ca 0.26 -2.29 0.22 0.00 0.00 0.00 0.00 60.65 58.84 2jrp s ILE 70 Cb 0.04 -5.04 0.07 0.00 0.01 0.00 0.00 42.46 37.53 2jrp s ILE 70 CO 0.08 -1.80 1.17 0.77 0.00 0.00 0.00 174.94 175.16 2jrp h SER 71 N 7.38 0.00 -2.99 3.58 4.64 -1.90 -3.43 113.55 120.84 2jrp h SER 71 Ca 0.37 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 61.01 2jrp h SER 71 Cb 0.87 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.78 2jrp h SER 71 CO 1.34 0.07 0.17 -0.62 -0.87 0.00 0.00 176.83 176.92 2jrp s ASP 72 N -5.63 6.20 0.23 4.97 -1.08 -1.26 -5.01 116.67 115.09 2jrp s ASP 72 Ca 0.01 -1.17 -0.02 0.00 -0.52 0.00 0.00 52.55 50.85 2jrp s ASP 72 Cb 0.08 -2.32 -0.03 0.00 -1.46 0.00 0.00 42.92 39.19 2jrp s ASP 72 CO 0.76 -1.10 0.21 0.00 0.52 0.00 0.00 175.17 175.57 2jrp s GLN 73 N 2.91 1.34 -0.32 4.34 -2.07 -1.26 -4.46 119.66 120.14 2jrp s GLN 73 Ca 0.15 -1.61 -0.03 0.00 -1.82 0.00 0.00 55.36 52.04 2jrp s GLN 73 Cb -0.21 0.31 0.05 0.00 -1.09 0.00 0.00 33.01 32.07 2jrp s GLN 73 CO 0.09 -0.47 0.04 -0.51 -1.32 0.00 0.00 175.29 173.12 2jrp s LEU 74 N -3.16 4.07 0.42 2.60 1.02 -1.26 -5.10 118.68 117.28 2jrp s LEU 74 Ca 0.36 -1.26 0.08 0.00 0.02 0.00 0.00 54.13 53.33 2jrp s LEU 74 Cb 0.05 -1.76 -0.01 0.00 0.02 0.00 0.00 46.19 44.49 2jrp s LEU 74 CO 0.13 -0.29 0.46 -1.61 0.02 0.00 0.00 176.35 175.07 2jrp s GLU 75 N 1.30 2.64 0.00 1.70 0.41 -1.26 -4.92 118.70 118.56 2jrp s GLU 75 Ca -0.04 -1.43 0.00 0.00 -0.41 0.00 0.00 54.97 53.09 2jrp s GLU 75 Cb -0.20 -2.53 0.00 0.00 -1.78 0.00 0.00 34.13 29.63 2jrp s GLU 75 CO 0.00 -0.25 0.00 -2.39 -0.49 0.00 0.00 175.26 172.13 2jrp n HIS 76 N -1.68 0.00 0.00 1.61 1.44 -1.26 -4.95 115.22 110.38 2jrp n HIS 76 Ca 0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.76 2jrp n HIS 76 Cb 0.61 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.72 2jrp n HIS 76 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2jrp n HIS 77 N 0.00 0.00 0.00 -1.40 -0.00 -1.26 -5.08 115.22 107.48 2jrp n HIS 77 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jrp n HIS 77 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2jrp n HIS 77 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jrp n HIS 78 N 0.00 0.00 0.00 1.57 -0.00 -1.26 -4.69 115.22 110.84 2jrp n HIS 78 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2jrp n HIS 78 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2jrp n HIS 78 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jrp n HIS 79 N 0.00 -0.00 -3.58 1.57 -0.00 -1.26 -4.95 115.22 107.00 2jrp n HIS 79 Ca 0.00 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.16 2jrp n HIS 79 Cb 0.00 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 29.81 2jrp n HIS 79 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2jrp s HIS 80 N -0.35 -0.72 -1.40 1.57 2.46 -1.26 -5.22 115.29 110.36 2jrp s HIS 80 Ca 0.00 1.36 0.11 0.00 0.47 0.00 0.00 55.06 57.00 2jrp s HIS 80 Cb 0.00 0.43 0.09 0.00 -0.13 0.00 0.00 32.58 32.97 2jrp s HIS 80 CO 0.00 -0.36 0.86 1.58 -2.47 0.00 0.00 174.74 174.35