#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 2.12 -0.98 0.03 2.12 -1.26 -4.93 118.70 115.80 2jrp s GLU 2 Ca 0.00 -1.41 -0.24 0.00 0.36 0.00 0.00 54.97 53.68 2jrp s GLU 2 Cb 0.00 -2.10 -0.00 0.00 0.26 0.00 0.00 34.13 32.28 2jrp s GLU 2 CO 0.00 0.39 1.72 0.96 -0.54 0.00 0.00 175.26 177.79 2jrp s ILE 3 N -2.13 3.68 -0.11 -3.70 -4.36 -1.26 -4.92 121.20 108.40 2jrp s ILE 3 Ca 0.29 -0.62 0.02 0.00 -0.26 0.00 0.00 60.65 60.08 2jrp s ILE 3 Cb -0.07 -4.53 0.01 0.00 1.25 0.00 0.00 42.46 39.12 2jrp s ILE 3 CO 0.17 -1.42 -0.18 -0.89 0.24 0.00 0.00 174.94 172.87 2jrp s THR 4 N 7.67 1.66 -0.15 8.37 2.01 -1.26 -0.54 115.64 133.40 2jrp s THR 4 Ca 0.59 -0.75 -0.29 0.00 0.31 0.00 0.00 61.69 61.55 2jrp s THR 4 Cb -0.03 -1.49 -0.02 0.00 0.01 0.00 0.00 72.50 70.97 2jrp s THR 4 CO -0.04 0.47 1.25 0.00 -0.69 0.00 0.00 174.62 175.61 2jrp n PRO 6 N 6.44 0.69 -0.05 0.00 -0.04 -1.26 0.31 135.00 141.09 2jrp n PRO 6 Ca 0.14 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.49 2jrp n PRO 6 Cb 0.45 -1.43 -0.15 0.00 -0.04 0.00 0.00 33.50 32.33 2jrp n PRO 6 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2jrp n VAL 7 N -0.93 1.54 -0.02 0.52 0.31 -1.26 -4.52 118.33 113.97 2jrp n VAL 7 Ca 0.14 -0.79 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 2jrp n VAL 7 Cb 0.07 -0.91 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 2jrp n VAL 7 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jrp n HIS 9 N -0.72 -1.45 -4.66 0.00 -0.00 0.15 -4.99 115.22 103.55 2jrp n HIS 9 Ca 0.00 0.27 -0.32 0.00 0.46 0.00 0.00 57.72 58.14 2jrp n HIS 9 Cb 0.01 -4.11 -0.12 0.00 -0.12 0.00 0.00 29.99 25.65 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 -3.08 2.68 0.31 1.57 3.76 -1.21 -4.91 115.29 114.42 2jrp s HIS 10 Ca 0.16 -0.17 -0.29 0.00 -0.15 0.00 0.00 55.06 54.60 2jrp s HIS 10 Cb -0.07 -1.54 -0.10 0.00 1.11 0.00 0.00 32.58 31.98 2jrp s HIS 10 CO 0.20 0.27 1.22 0.00 -0.85 0.00 0.00 174.74 175.57 2jrp s ALA 11 N -0.90 3.45 0.33 -1.40 0.00 -1.26 -1.17 121.76 120.81 2jrp s ALA 11 Ca 0.15 1.11 0.05 0.00 0.00 0.00 0.00 51.96 53.26 2jrp s ALA 11 Cb -0.11 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.58 2jrp s ALA 11 CO 0.05 -0.44 0.48 -0.51 0.00 0.00 0.00 175.76 175.34 2jrp s LEU 12 N -1.66 4.01 -0.16 0.00 1.43 0.30 -4.91 118.68 117.69 2jrp s LEU 12 Ca 0.47 -0.00 -0.14 0.00 -1.03 0.00 0.00 54.13 53.43 2jrp s LEU 12 Cb -0.36 -2.89 -0.05 0.00 0.03 0.00 0.00 46.19 42.93 2jrp s LEU 12 CO 0.48 -0.37 0.32 -0.70 0.23 0.00 0.00 176.35 176.30 2jrp s GLU 13 N -4.19 4.27 -0.40 1.70 2.56 -1.16 -4.95 118.70 116.53 2jrp s GLU 13 Ca 0.42 0.14 -0.14 0.00 0.00 0.00 0.00 54.97 55.39 2jrp s GLU 13 Cb -0.09 -3.43 0.02 0.00 2.00 0.00 0.00 34.13 32.63 2jrp s GLU 13 CO 0.32 0.22 0.28 0.50 -0.56 0.00 0.00 175.26 176.03 2jrp s ARG 14 N 0.50 2.94 -0.55 4.30 3.52 -1.26 -1.60 118.95 126.80 2jrp s ARG 14 Ca 0.18 -1.03 0.04 0.00 -0.13 0.00 0.00 55.73 54.78 2jrp s ARG 14 Cb -0.13 -3.94 0.14 0.00 -1.56 0.00 0.00 34.95 29.46 2jrp s ARG 14 CO 0.05 -0.74 0.32 1.21 -0.81 0.00 0.00 175.30 175.32 2jrp s ASN 15 N 1.66 4.30 1.89 -2.12 3.84 0.48 -5.01 114.94 119.97 2jrp s ASN 15 Ca 0.04 -3.18 0.00 0.00 0.21 0.00 0.00 52.86 49.94 2jrp s ASN 15 Cb -0.19 -1.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.97 2jrp s ASN 15 CO 0.09 -0.20 0.00 0.61 -2.79 0.00 0.00 177.10 174.82 2jrp n GLY 16 N 2.87 3.72 0.00 1.21 0.00 -1.26 -1.79 105.19 109.94 2jrp n GLY 16 Ca 0.10 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.37 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 9.44 0.01 -4.14 1.61 9.92 -1.26 -4.68 116.55 127.46 2jrp n ASP 17 Ca 0.00 0.50 -0.26 0.00 -0.53 0.00 0.00 54.79 54.50 2jrp n ASP 17 Cb 0.00 -0.51 -0.16 0.00 -0.64 0.00 0.00 41.12 39.81 2jrp n ASP 17 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2jrp s THR 18 N -3.00 1.43 -0.30 -3.53 2.01 -0.74 -0.32 115.64 111.19 2jrp s THR 18 Ca 0.12 -0.72 -0.05 0.00 0.31 0.00 0.00 61.69 61.35 2jrp s THR 18 Cb 0.17 -1.23 0.03 0.00 0.01 0.00 0.00 72.50 71.48 2jrp s THR 18 CO 0.47 0.41 0.05 0.00 -0.69 0.00 0.00 174.62 174.86 2jrp s ALA 19 N 0.03 2.95 -0.11 7.40 0.00 0.14 -0.39 121.76 131.78 2jrp s ALA 19 Ca -0.04 -1.61 -0.19 0.00 0.00 0.00 0.00 51.96 50.12 2jrp s ALA 19 Cb -0.11 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 2jrp s ALA 19 CO 0.02 -1.11 0.51 -1.58 0.00 0.00 0.00 175.76 173.60 2jrp s HIS 20 N 1.39 3.52 -0.41 0.00 2.46 -0.63 -1.04 115.29 120.59 2jrp s HIS 20 Ca -0.01 0.94 -0.17 0.00 0.47 0.00 0.00 55.06 56.29 2jrp s HIS 20 Cb -0.18 -2.59 0.02 0.00 -0.13 0.00 0.00 32.58 29.69 2jrp s HIS 20 CO 0.01 0.15 0.44 0.00 -2.47 0.00 0.00 174.74 172.87 2jrp n GLU 22 N 5.62 0.00 -1.90 0.00 -0.58 -1.26 -3.30 120.64 119.22 2jrp n GLU 22 Ca -0.07 0.26 -0.42 0.00 -0.42 0.00 0.00 57.16 56.51 2jrp n GLU 22 Cb 0.48 -1.13 -0.03 0.00 -0.57 0.00 0.00 31.44 30.19 2jrp n GLU 22 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2jrp s THR 23 N -1.65 2.52 -0.12 2.62 -4.23 -1.26 -3.46 115.64 110.07 2jrp s THR 23 Ca 0.00 0.38 -0.01 0.00 -1.18 0.00 0.00 61.69 60.87 2jrp s THR 23 Cb 0.00 -3.24 0.01 0.00 1.34 0.00 0.00 72.50 70.60 2jrp s THR 23 CO 0.00 0.03 0.03 0.00 -0.54 0.00 0.00 174.62 174.14 2jrp s ALA 25 N -1.04 3.32 -0.18 0.00 0.00 -1.22 -4.74 121.76 117.90 2jrp s ALA 25 Ca -0.03 1.11 -0.08 0.00 0.00 0.00 0.00 51.96 52.96 2jrp s ALA 25 Cb 0.00 -3.91 0.08 0.00 0.00 0.00 0.00 23.12 19.29 2jrp s ALA 25 CO 0.35 -1.94 0.40 0.15 0.00 0.00 0.00 175.76 174.72 2jrp s LYS 26 N 5.00 0.33 -0.38 0.00 1.02 -1.21 -4.99 119.74 119.52 2jrp s LYS 26 Ca 0.90 0.92 -0.14 0.00 0.02 0.00 0.00 55.97 57.67 2jrp s LYS 26 Cb -0.39 0.17 0.01 0.00 -0.52 0.00 0.00 37.83 37.10 2jrp s LYS 26 CO 0.39 -0.22 0.29 -0.51 -0.92 0.00 0.00 175.35 174.37 2jrp s ASP 27 N 2.16 6.10 -0.27 2.83 1.01 -1.26 -1.36 116.67 125.88 2jrp s ASP 27 Ca -0.04 -0.69 -0.11 0.00 0.71 0.00 0.00 52.55 52.41 2jrp s ASP 27 Cb -0.11 -2.16 -0.05 0.00 1.01 0.00 0.00 42.92 41.62 2jrp s ASP 27 CO -0.12 -0.37 0.21 -0.36 0.21 0.00 0.00 175.17 174.73 2jrp s PHE 28 N 1.72 3.25 -0.06 4.23 0.08 -0.20 -4.91 117.98 122.09 2jrp s PHE 28 Ca 0.06 0.19 -0.30 0.00 0.12 0.00 0.00 56.93 57.00 2jrp s PHE 28 Cb -0.18 -2.38 -0.05 0.00 -0.57 0.00 0.00 43.02 39.84 2jrp s PHE 28 CO 0.10 -0.11 1.48 -1.54 -0.10 0.00 0.00 175.22 175.06 2jrp s SER 29 N 1.56 6.79 -0.04 1.36 1.04 -1.26 0.23 113.70 123.38 2jrp s SER 29 Ca 0.08 2.07 -0.01 0.00 0.48 0.00 0.00 55.95 58.58 2jrp s SER 29 Cb -0.15 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.39 2jrp s SER 29 CO 0.09 -0.82 0.03 -0.76 0.98 0.00 0.00 173.24 172.76 2jrp s LEU 30 N 3.38 3.70 -0.02 2.42 1.43 0.57 0.97 118.68 131.12 2jrp s LEU 30 Ca 0.66 0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.88 2jrp s LEU 30 Cb -0.30 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 43.92 2jrp s LEU 30 CO 0.25 0.32 -0.01 -1.10 0.23 0.00 0.00 176.35 176.04 2jrp s GLN 31 N -1.34 0.30 -0.11 1.70 -1.52 -0.07 -4.62 119.66 114.00 2jrp s GLN 31 Ca 0.18 0.00 -0.29 0.00 -1.95 0.00 0.00 55.36 53.30 2jrp s GLN 31 Cb -0.12 -0.41 -0.03 0.00 -0.22 0.00 0.00 33.01 32.23 2jrp s GLN 31 CO 0.08 -0.06 1.40 0.00 -0.25 0.00 0.00 175.29 176.46 2jrp s ALA 32 N 0.62 3.63 0.27 6.09 0.00 -1.26 -0.22 121.76 130.89 2jrp s ALA 32 Ca -0.06 0.66 0.12 0.00 0.00 0.00 0.00 51.96 52.67 2jrp s ALA 32 Cb -0.09 -3.65 -0.05 0.00 0.00 0.00 0.00 23.12 19.33 2jrp s ALA 32 CO -0.01 -1.20 -0.19 -1.17 0.00 0.00 0.00 175.76 173.19 2jrp s LEU 33 N 3.50 2.62 -0.34 0.00 2.96 0.57 -4.76 118.68 123.23 2jrp s LEU 33 Ca 0.62 -0.98 -0.15 0.00 -0.22 0.00 0.00 54.13 53.39 2jrp s LEU 33 Cb -0.26 -1.16 -0.01 0.00 0.50 0.00 0.00 46.19 45.25 2jrp s LEU 33 CO 0.21 0.05 0.38 0.00 -1.32 0.00 0.00 176.35 175.66 2jrp n PRO 35 N 5.42 2.34 0.00 0.00 -0.02 -1.26 -1.15 135.00 140.32 2jrp n PRO 35 Ca -0.09 -1.58 0.00 0.00 -2.02 0.00 0.00 63.50 59.81 2jrp n PRO 35 Cb 0.49 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 2jrp n PRO 35 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2jrp n ASP 36 N 4.15 0.00 -0.06 2.55 -0.08 -1.26 -4.96 116.55 116.88 2jrp n ASP 36 Ca 0.50 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.73 2jrp n ASP 36 Cb 0.15 0.04 -0.15 0.00 2.34 0.00 0.00 41.12 43.49 2jrp n ASP 36 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jrp n ARG 38 N -2.69 -1.59 -1.53 0.00 0.63 -0.30 -4.98 116.66 106.19 2jrp n ARG 38 Ca -0.24 1.07 -0.30 0.00 -0.92 0.00 0.00 57.85 57.47 2jrp n ARG 38 Cb 1.00 -5.59 0.11 0.00 0.45 0.00 0.00 32.46 28.43 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 -4.36 1.78 0.00 -0.14 -0.21 -1.26 -4.81 119.66 110.66 2jrp s GLN 39 Ca 0.00 0.55 0.08 0.00 0.02 0.00 0.00 55.36 56.01 2jrp s GLN 39 Cb 0.00 -1.89 0.47 0.00 1.00 0.00 0.00 33.01 32.59 2jrp s GLN 39 CO 0.00 -1.81 0.94 -2.30 -2.12 0.00 0.00 175.29 170.00 2jrp n PRO 40 N -3.55 0.25 -0.54 2.91 -0.02 -1.26 -4.30 135.00 128.49 2jrp n PRO 40 Ca 0.07 0.01 0.07 0.00 -2.02 0.00 0.00 63.50 61.63 2jrp n PRO 40 Cb 0.57 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.53 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 -1.01 0.00 -4.36 2.45 4.77 -1.26 -4.75 117.00 112.84 2jrp n LEU 41 Ca 0.06 0.58 -0.35 0.00 -0.03 0.00 0.00 56.01 56.27 2jrp n LEU 41 Cb 0.03 -1.63 -0.13 0.00 -2.33 0.00 0.00 43.42 39.35 2jrp n LEU 41 CO 0.05 -1.66 -0.36 -1.58 -1.33 0.00 0.00 177.39 172.50 2jrp s GLN 42 N -0.93 3.47 -0.17 3.23 0.74 -1.23 -4.92 119.66 119.85 2jrp s GLN 42 Ca 0.00 -0.58 -0.29 0.00 0.05 0.00 0.00 55.36 54.54 2jrp s GLN 42 Cb 0.00 -3.06 -0.02 0.00 1.10 0.00 0.00 33.01 31.03 2jrp s GLN 42 CO 0.00 -0.14 1.36 0.08 -0.55 0.00 0.00 175.29 176.04 2jrp s VAL 43 N 1.37 4.10 -0.47 1.34 1.01 -1.26 -2.21 120.40 124.28 2jrp s VAL 43 Ca 0.04 1.32 -0.04 0.00 0.00 0.00 0.00 61.98 63.30 2jrp s VAL 43 Cb -0.14 -3.91 0.12 0.00 0.00 0.00 0.00 36.38 32.45 2jrp s VAL 43 CO -0.01 -0.18 0.29 -0.76 0.00 0.00 0.00 175.10 174.44 2jrp s LEU 44 N 3.83 5.37 -0.57 3.92 1.43 0.63 -5.01 118.68 128.28 2jrp s LEU 44 Ca 0.59 -2.20 -0.26 0.00 -1.03 0.00 0.00 54.13 51.24 2jrp s LEU 44 Cb -0.23 -1.88 0.04 0.00 0.03 0.00 0.00 46.19 44.15 2jrp s LEU 44 CO 0.19 -0.54 1.04 -0.54 0.23 0.00 0.00 176.35 176.73 2jrp s LYS 45 N 0.91 3.39 0.59 1.70 1.02 -1.26 -1.66 119.74 124.43 2jrp s LYS 45 Ca 0.10 -0.09 0.08 0.00 0.02 0.00 0.00 55.97 56.07 2jrp s LYS 45 Cb -0.23 -4.05 0.09 0.00 -0.52 0.00 0.00 37.83 33.13 2jrp s LYS 45 CO -0.03 -1.57 0.81 0.00 -0.92 0.00 0.00 175.35 173.63 2jrp s ALA 46 N 4.34 4.54 -0.59 5.17 0.00 0.51 -4.99 121.76 130.73 2jrp s ALA 46 Ca 0.35 -2.04 -0.27 0.00 0.00 0.00 0.00 51.96 49.99 2jrp s ALA 46 Cb -0.11 -1.56 -0.01 0.00 0.00 0.00 0.00 23.12 21.44 2jrp s ALA 46 CO 0.21 -0.91 1.71 0.00 0.00 0.00 0.00 175.76 176.77 2jrp n GLY 48 N 5.56 0.63 3.27 0.00 0.00 -1.26 -5.01 105.19 108.38 2jrp n GLY 48 Ca 0.17 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.29 -0.86 -0.22 4.61 0.00 -1.09 -5.14 121.76 116.78 2jrp s ALA 49 Ca 0.00 0.32 -0.03 0.00 0.00 0.00 0.00 51.96 52.25 2jrp s ALA 49 Cb 0.00 0.16 0.07 0.00 0.00 0.00 0.00 23.12 23.35 2jrp s ALA 49 CO 0.00 -0.32 0.07 0.14 0.00 0.00 0.00 175.76 175.65 2jrp s VAL 50 N -1.72 0.30 0.21 0.00 -7.23 -1.26 -0.37 120.40 110.34 2jrp s VAL 50 Ca -0.11 -0.60 0.08 0.00 -1.81 0.00 0.00 61.98 59.54 2jrp s VAL 50 Cb -0.03 -0.99 -0.04 0.00 0.56 0.00 0.00 36.38 35.88 2jrp s VAL 50 CO 0.02 -0.38 0.04 -1.81 -0.31 0.00 0.00 175.10 172.66 2jrp s ASP 51 N 1.94 4.90 -0.27 4.85 1.01 -0.66 -4.98 116.67 123.46 2jrp s ASP 51 Ca 0.03 -0.42 -0.01 0.00 0.71 0.00 0.00 52.55 52.86 2jrp s ASP 51 Cb -0.17 -1.07 0.08 0.00 1.01 0.00 0.00 42.92 42.78 2jrp s ASP 51 CO -0.16 0.04 0.05 -0.31 0.21 0.00 0.00 175.17 175.01 2jrp s TYR 52 N -1.97 1.86 -0.08 4.23 1.51 -1.26 -0.27 117.35 121.37 2jrp s TYR 52 Ca 0.30 -1.66 -0.31 0.00 -1.01 0.00 0.00 57.07 54.39 2jrp s TYR 52 Cb -0.08 -1.64 0.08 0.00 -0.11 0.00 0.00 41.96 40.20 2jrp s TYR 52 CO 0.20 -0.81 0.72 -0.59 -1.11 0.00 0.00 175.55 173.96 2jrp s PHE 53 N 1.57 -0.64 -0.71 2.71 -0.12 -0.94 -4.83 117.98 115.03 2jrp s PHE 53 Ca 0.05 1.13 -0.27 0.00 -0.05 0.00 0.00 56.93 57.79 2jrp s PHE 53 Cb -0.18 0.40 0.02 0.00 -0.63 0.00 0.00 43.02 42.64 2jrp s PHE 53 CO -0.17 -0.57 1.36 0.00 -0.05 0.00 0.00 175.22 175.80 2jrp h GLN 55 N 10.74 0.15 -5.86 0.00 4.20 -1.89 -0.43 115.11 122.02 2jrp h GLN 55 Ca -0.28 -0.01 -0.57 0.00 0.06 0.00 0.00 58.65 57.85 2jrp h GLN 55 Cb 1.07 -0.03 -0.08 0.00 0.30 0.00 0.00 27.48 28.74 2jrp h GLN 55 CO 1.26 0.10 -0.45 1.21 -0.67 0.00 0.00 178.83 180.29 2jrp s ASN 56 N -5.29 4.49 0.00 1.46 2.47 -1.26 -3.71 114.94 113.10 2jrp s ASN 56 Ca -0.13 -1.15 0.00 0.00 0.42 0.00 0.00 52.86 52.00 2jrp s ASN 56 Cb 0.08 -0.19 0.00 0.00 -1.45 0.00 0.00 41.25 39.69 2jrp s ASN 56 CO 0.68 -0.71 0.00 0.61 -3.72 0.00 0.00 177.10 173.97 2jrp n GLY 57 N -1.38 1.79 0.73 1.21 0.00 -1.26 -4.17 105.19 102.11 2jrp n GLY 57 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -5.18 115.22 110.39 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 0.02 0.00 0.00 -0.00 0.00 0.00 29.99 30.01 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 3.53 3.79 3.58 1.57 0.00 -0.18 -5.02 105.19 112.46 2jrp n GLY 59 Ca 0.00 -1.70 -0.47 0.00 0.00 0.00 0.00 46.02 43.85 2jrp n GLY 59 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2jrp n LEU 60 N 0.00 1.67 -4.54 0.99 7.94 -1.19 -4.50 117.00 117.37 2jrp n LEU 60 Ca 0.00 1.16 -0.33 0.00 -1.11 0.00 0.00 56.01 55.72 2jrp n LEU 60 Cb 0.00 -1.25 -0.12 0.00 0.53 0.00 0.00 43.42 42.58 2jrp n LEU 60 CO 0.00 -1.32 -0.41 -0.63 -1.11 0.00 0.00 177.39 173.91 2jrp s ILE 61 N -0.53 3.41 -0.20 1.96 1.09 -1.26 -5.05 121.20 120.62 2jrp s ILE 61 Ca 0.67 -0.62 -0.34 0.00 -1.10 0.00 0.00 60.65 59.26 2jrp s ILE 61 Cb -0.78 -2.38 -0.11 0.00 -1.06 0.00 0.00 42.46 38.13 2jrp s ILE 61 CO 0.55 0.58 1.99 -1.20 -0.10 0.00 0.00 174.94 176.76 2jrp n SER 62 N 2.20 2.97 0.00 3.58 7.64 -1.26 -4.79 113.62 123.97 2jrp n SER 62 Ca -0.17 0.74 0.03 0.00 1.01 0.00 0.00 58.87 60.48 2jrp n SER 62 Cb 0.53 -1.34 0.15 0.00 -1.01 0.00 0.00 64.21 62.54 2jrp n SER 62 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2jrp n LYS 63 N 7.21 0.02 0.08 1.43 2.85 -1.26 -0.53 118.16 127.96 2jrp n LYS 63 Ca 0.29 0.35 -0.08 0.00 -1.05 0.00 0.00 58.31 57.82 2jrp n LYS 63 Cb 0.28 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 33.11 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 0.12 -0.13 -1.58 1.57 -2.05 -3.30 116.57 111.20 2jrp h LYS 64 Ca 0.00 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2jrp h LYS 64 Cb 0.11 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2jrp h LYS 64 CO 0.00 0.97 0.00 0.54 -0.57 0.00 0.00 179.45 180.39 2jrp n ARG 65 N -3.55 1.71 -2.16 3.15 1.74 0.31 -4.93 116.66 112.93 2jrp n ARG 65 Ca -0.03 -1.71 -0.41 0.00 -0.77 0.00 0.00 57.85 54.93 2jrp n ARG 65 Cb 0.86 -1.35 -0.03 0.00 -1.02 0.00 0.00 32.46 30.92 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 -1.36 3.07 -0.82 1.55 1.01 -0.89 -4.90 120.40 118.06 2jrp s VAL 66 Ca 0.24 0.88 -0.23 0.00 0.00 0.00 0.00 61.98 62.86 2jrp s VAL 66 Cb 0.15 -3.56 0.06 0.00 0.00 0.00 0.00 36.38 33.04 2jrp s VAL 66 CO 0.22 0.13 1.21 0.21 0.00 0.00 0.00 175.10 176.87 2jrp s ASN 67 N 0.39 6.33 -0.45 3.32 2.47 -0.65 -4.84 114.94 121.52 2jrp s ASN 67 Ca 0.58 -1.13 -0.28 0.00 0.42 0.00 0.00 52.86 52.45 2jrp s ASN 67 Cb -0.38 -2.49 -0.00 0.00 -1.45 0.00 0.00 41.25 36.92 2jrp s ASN 67 CO 0.39 -1.51 1.62 -0.36 -3.72 0.00 0.00 177.10 173.52 2jrp s PHE 68 N 4.55 2.04 0.32 0.43 0.40 -1.26 -0.32 117.98 124.15 2jrp s PHE 68 Ca 0.34 0.64 0.01 0.00 -0.60 0.00 0.00 56.93 57.31 2jrp s PHE 68 Cb -0.08 -4.23 -0.03 0.00 0.51 0.00 0.00 43.02 39.19 2jrp s PHE 68 CO 0.03 -2.37 0.51 0.14 0.70 0.00 0.00 175.22 174.23 2jrp s VAL 69 N 6.69 5.13 -0.39 -0.44 -7.23 0.70 -4.79 120.40 120.06 2jrp s VAL 69 Ca 0.67 -0.49 -0.27 0.00 -1.81 0.00 0.00 61.98 60.08 2jrp s VAL 69 Cb -0.16 -3.85 0.02 0.00 0.56 0.00 0.00 36.38 32.95 2jrp s VAL 69 CO 0.29 -0.49 0.97 -0.63 -0.31 0.00 0.00 175.10 174.93 2jrp s ILE 70 N -2.23 4.51 -1.21 -0.62 1.01 -1.26 -0.89 121.20 120.50 2jrp s ILE 70 Ca 0.39 1.19 -0.21 0.00 0.00 0.00 0.00 60.65 62.02 2jrp s ILE 70 Cb -0.10 -4.40 -0.00 0.00 0.01 0.00 0.00 42.46 37.98 2jrp s ILE 70 CO 0.34 -0.64 1.81 -0.55 0.00 0.00 0.00 174.94 175.90 2jrp s SER 71 N 1.99 5.99 -0.03 3.58 0.15 0.27 -4.73 113.70 120.94 2jrp s SER 71 Ca 0.40 -1.95 -0.19 0.00 0.70 0.00 0.00 55.95 54.91 2jrp s SER 71 Cb -0.11 -2.58 -0.12 0.00 -1.71 0.00 0.00 66.02 61.50 2jrp s SER 71 CO 0.21 -2.05 0.82 -0.78 1.20 0.00 0.00 173.24 172.65 2jrp h ASP 72 N 8.83 -0.46 -1.90 5.45 3.58 -1.92 -3.42 116.42 126.57 2jrp h ASP 72 Ca 0.32 -0.07 -0.28 0.00 0.42 0.00 0.00 57.03 57.42 2jrp h ASP 72 Cb 0.92 0.12 -0.30 0.00 1.72 0.00 0.00 39.33 41.78 2jrp h ASP 72 CO 1.35 -0.02 -0.61 -1.10 -2.88 0.00 0.00 179.24 175.98 2jrp s GLN 73 N -3.73 0.45 0.41 0.28 -0.21 -1.26 -5.11 119.66 110.49 2jrp s GLN 73 Ca -0.11 -0.22 -0.18 0.00 0.02 0.00 0.00 55.36 54.88 2jrp s GLN 73 Cb 0.01 -0.52 -0.09 0.00 1.00 0.00 0.00 33.01 33.41 2jrp s GLN 73 CO 0.35 -1.08 0.88 -0.51 -2.12 0.00 0.00 175.29 172.81 2jrp s LEU 74 N 2.19 3.91 0.00 2.90 1.43 -1.26 -4.94 118.68 122.90 2jrp s LEU 74 Ca 0.11 1.50 0.17 0.00 -1.03 0.00 0.00 54.13 54.89 2jrp s LEU 74 Cb -0.13 -4.36 1.04 0.00 0.03 0.00 0.00 46.19 42.77 2jrp s LEU 74 CO -0.24 -0.36 1.57 -0.62 0.23 0.00 0.00 176.35 176.93 2jrp n GLU 75 N -0.79 0.85 -0.41 1.70 1.02 -1.26 -1.73 120.64 120.02 2jrp n GLU 75 Ca 0.06 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.29 2jrp n GLU 75 Cb 0.54 -1.32 0.30 0.00 -0.02 0.00 0.00 31.44 30.94 2jrp n GLU 75 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2jrp n HIS 76 N -0.82 1.03 -1.93 -0.32 -0.00 -1.26 -4.99 115.22 106.93 2jrp n HIS 76 Ca 0.13 -0.55 -0.39 0.00 0.46 0.00 0.00 57.72 57.38 2jrp n HIS 76 Cb 0.06 -0.09 0.02 0.00 -0.12 0.00 0.00 29.99 29.86 2jrp n HIS 76 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2jrp s HIS 77 N -1.33 2.54 -1.03 1.57 5.04 -0.71 -4.85 115.29 116.53 2jrp s HIS 77 Ca 0.45 1.39 -0.23 0.00 -1.54 0.00 0.00 55.06 55.12 2jrp s HIS 77 Cb 0.26 -3.72 -0.05 0.00 0.04 0.00 0.00 32.58 29.10 2jrp s HIS 77 CO 0.26 -2.49 1.90 -1.58 -2.34 0.00 0.00 174.74 170.50 2jrp s HIS 78 N -1.32 1.95 -0.11 3.88 2.46 -1.26 -4.67 115.29 116.23 2jrp s HIS 78 Ca 0.65 0.38 -0.07 0.00 0.47 0.00 0.00 55.06 56.49 2jrp s HIS 78 Cb -0.38 -4.10 -0.02 0.00 -0.13 0.00 0.00 32.58 27.94 2jrp s HIS 78 CO 0.47 -1.56 -0.13 1.25 -2.47 0.00 0.00 174.74 172.30 2jrp h HIS 79 N 10.46 0.00 -1.85 3.88 6.17 -1.96 -3.49 115.15 128.36 2jrp h HIS 79 Ca 0.16 0.00 0.05 0.00 0.71 0.00 0.00 60.37 61.29 2jrp h HIS 79 Cb 0.98 0.00 -0.23 0.00 2.52 0.00 0.00 27.41 30.68 2jrp h HIS 79 CO 1.23 0.00 0.12 -1.58 0.71 0.00 0.00 177.93 178.41 2jrp s HIS 80 N -1.93 -0.94 -1.28 5.26 5.65 -1.26 -5.30 115.29 115.49 2jrp s HIS 80 Ca -0.11 1.86 0.10 0.00 0.25 0.00 0.00 55.06 57.16 2jrp s HIS 80 Cb 0.01 0.56 0.08 0.00 -1.18 0.00 0.00 32.58 32.06 2jrp s HIS 80 CO 0.16 -0.47 0.82 1.58 -0.65 0.00 0.00 174.74 176.19