#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 4.69 -0.33 0.03 2.12 -1.26 -4.96 118.70 118.98 2jrp s GLU 2 Ca 0.00 1.35 -0.28 0.00 0.36 0.00 0.00 54.97 56.40 2jrp s GLU 2 Cb 0.00 -3.33 -0.02 0.00 0.26 0.00 0.00 34.13 31.04 2jrp s GLU 2 CO 0.00 0.35 1.79 0.42 -0.54 0.00 0.00 175.26 177.28 2jrp s ILE 3 N -0.47 3.49 0.02 -3.70 1.01 -1.26 -4.97 121.20 115.32 2jrp s ILE 3 Ca 0.42 0.49 0.04 0.00 0.00 0.00 0.00 60.65 61.60 2jrp s ILE 3 Cb -0.23 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 2jrp s ILE 3 CO 0.29 -0.43 -0.12 0.42 0.00 0.00 0.00 174.94 175.10 2jrp s THR 4 N 6.86 0.95 0.13 2.92 -4.23 -1.26 -0.87 115.64 120.14 2jrp s THR 4 Ca 0.79 -0.81 -0.30 0.00 -1.18 0.00 0.00 61.69 60.20 2jrp s THR 4 Cb -0.22 -0.85 -0.06 0.00 1.34 0.00 0.00 72.50 72.70 2jrp s THR 4 CO 0.33 0.05 0.97 0.00 -0.54 0.00 0.00 174.62 175.43 2jrp n PRO 6 N 2.60 0.25 -0.03 0.00 -0.04 -1.26 -3.49 135.00 133.03 2jrp n PRO 6 Ca 0.02 0.12 -0.06 0.00 -0.04 0.00 0.00 63.50 63.54 2jrp n PRO 6 Cb 0.49 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 2jrp n PRO 6 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2jrp n VAL 7 N -1.27 0.31 -3.51 0.52 3.14 -1.26 -4.88 118.33 111.39 2jrp n VAL 7 Ca 0.08 -0.09 -0.42 0.00 -2.96 0.00 0.00 64.34 60.95 2jrp n VAL 7 Cb 0.12 -1.46 -0.07 0.00 -1.06 0.00 0.00 33.84 31.38 2jrp n VAL 7 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2jrp s HIS 9 N 0.71 1.15 0.05 0.00 2.46 -1.23 -3.86 115.29 114.57 2jrp s HIS 9 Ca 0.12 2.08 -0.10 0.00 0.47 0.00 0.00 55.06 57.62 2jrp s HIS 9 Cb -0.21 -3.41 0.01 0.00 -0.13 0.00 0.00 32.58 28.84 2jrp s HIS 9 CO -0.03 -1.37 0.22 -1.01 -2.47 0.00 0.00 174.74 170.08 2jrp s HIS 10 N 15.34 0.03 0.14 3.88 3.76 -1.26 -5.00 115.29 132.18 2jrp s HIS 10 Ca 0.90 -0.28 -0.31 0.00 -0.15 0.00 0.00 55.06 55.22 2jrp s HIS 10 Cb -0.11 -0.00 -0.08 0.00 1.11 0.00 0.00 32.58 33.50 2jrp s HIS 10 CO 0.10 -0.48 1.35 0.00 -0.85 0.00 0.00 174.74 174.87 2jrp s ALA 11 N -2.86 3.56 0.38 -1.40 0.00 -1.26 -3.34 121.76 116.84 2jrp s ALA 11 Ca -0.03 1.10 -0.07 0.00 0.00 0.00 0.00 51.96 52.96 2jrp s ALA 11 Cb 0.00 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 2jrp s ALA 11 CO -0.05 -0.58 0.69 -0.51 0.00 0.00 0.00 175.76 175.31 2jrp s LEU 12 N 0.71 3.88 -0.75 0.00 1.43 -0.05 -4.77 118.68 119.13 2jrp s LEU 12 Ca 0.62 0.93 -0.20 0.00 -1.03 0.00 0.00 54.13 54.44 2jrp s LEU 12 Cb -0.36 -3.80 0.10 0.00 0.03 0.00 0.00 46.19 42.16 2jrp s LEU 12 CO 0.33 -0.36 0.96 -1.61 0.23 0.00 0.00 176.35 175.90 2jrp s GLU 13 N -3.93 3.29 0.20 1.70 2.02 0.62 -4.91 118.70 117.68 2jrp s GLU 13 Ca 0.48 -1.33 -0.30 0.00 0.02 0.00 0.00 54.97 53.84 2jrp s GLU 13 Cb -0.10 -4.49 -0.08 0.00 0.10 0.00 0.00 34.13 29.55 2jrp s GLU 13 CO 0.33 -1.72 1.20 0.50 0.02 0.00 0.00 175.26 175.59 2jrp s ARG 14 N 3.14 4.49 -0.36 1.61 3.52 -1.26 0.16 118.95 130.24 2jrp s ARG 14 Ca 0.23 1.90 -0.00 0.00 -0.13 0.00 0.00 55.73 57.74 2jrp s ARG 14 Cb -0.14 -3.22 0.14 0.00 -1.56 0.00 0.00 34.95 30.16 2jrp s ARG 14 CO 0.02 -0.08 0.21 1.21 -0.81 0.00 0.00 175.30 175.84 2jrp s ASN 15 N 0.03 3.07 1.90 -2.12 3.84 0.14 -4.88 114.94 116.92 2jrp s ASN 15 Ca 0.52 -2.17 0.00 0.00 0.21 0.00 0.00 52.86 51.42 2jrp s ASN 15 Cb -0.33 -0.46 0.00 0.00 -0.55 0.00 0.00 41.25 39.91 2jrp s ASN 15 CO 0.38 -0.31 0.00 0.61 -2.79 0.00 0.00 177.10 174.99 2jrp n GLY 16 N 4.07 2.66 0.17 1.21 0.00 -1.26 -1.54 105.19 110.49 2jrp n GLY 16 Ca 0.11 0.23 0.05 0.00 0.00 0.00 0.00 46.02 46.41 2jrp n GLY 16 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2jrp h ASP 17 N 0.00 0.00 -3.19 1.61 1.82 -1.95 -3.46 116.42 111.25 2jrp h ASP 17 Ca 0.00 0.00 -0.63 0.00 -0.39 0.00 0.00 57.03 56.01 2jrp h ASP 17 Cb 0.00 0.00 -0.11 0.00 0.68 0.00 0.00 39.33 39.90 2jrp h ASP 17 CO 0.00 0.39 -0.64 0.42 -1.61 0.00 0.00 179.24 177.80 2jrp s THR 18 N -3.21 4.08 -0.32 2.25 -4.23 -0.59 -0.13 115.64 113.49 2jrp s THR 18 Ca 0.03 -1.04 -0.04 0.00 -1.18 0.00 0.00 61.69 59.46 2jrp s THR 18 Cb 0.08 -2.98 0.05 0.00 1.34 0.00 0.00 72.50 71.00 2jrp s THR 18 CO 0.71 0.06 0.06 0.00 -0.54 0.00 0.00 174.62 174.91 2jrp s ALA 19 N -1.43 2.93 -0.24 3.99 0.00 0.14 0.26 121.76 127.42 2jrp s ALA 19 Ca 0.27 -1.81 -0.26 0.00 0.00 0.00 0.00 51.96 50.15 2jrp s ALA 19 Cb -0.11 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 20.90 2jrp s ALA 19 CO 0.19 -1.34 0.91 -1.58 0.00 0.00 0.00 175.76 173.95 2jrp s HIS 20 N 1.31 3.32 0.14 0.00 2.46 0.12 -0.93 115.29 121.71 2jrp s HIS 20 Ca -0.03 1.26 -0.30 0.00 0.47 0.00 0.00 55.06 56.46 2jrp s HIS 20 Cb -0.20 -3.14 -0.07 0.00 -0.13 0.00 0.00 32.58 29.04 2jrp s HIS 20 CO 0.00 -0.44 0.99 0.00 -2.47 0.00 0.00 174.74 172.83 2jrp n GLU 22 N 2.52 0.00 -2.16 0.00 -0.00 -1.26 -4.12 120.64 115.61 2jrp n GLU 22 Ca 0.02 0.00 -0.37 0.00 -0.00 0.00 0.00 57.16 56.80 2jrp n GLU 22 Cb 0.48 -0.41 -0.00 0.00 -0.00 0.00 0.00 31.44 31.51 2jrp n GLU 22 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 2jrp s THR 23 N -0.03 2.90 -0.19 3.84 -4.23 -1.26 -4.21 115.64 112.46 2jrp s THR 23 Ca 0.00 0.68 -0.03 0.00 -1.18 0.00 0.00 61.69 61.17 2jrp s THR 23 Cb 0.00 -3.35 0.01 0.00 1.34 0.00 0.00 72.50 70.50 2jrp s THR 23 CO 0.00 -0.00 0.06 0.00 -0.54 0.00 0.00 174.62 174.13 2jrp s ALA 25 N -1.16 2.05 -0.09 0.00 0.00 -1.26 -4.65 121.76 116.65 2jrp s ALA 25 Ca -0.06 -0.34 -0.03 0.00 0.00 0.00 0.00 51.96 51.52 2jrp s ALA 25 Cb 0.00 -4.29 0.05 0.00 0.00 0.00 0.00 23.12 18.88 2jrp s ALA 25 CO 0.56 -3.98 0.15 0.15 0.00 0.00 0.00 175.76 172.64 2jrp s LYS 26 N 7.34 0.02 -0.21 0.00 1.02 -1.26 -4.98 119.74 121.67 2jrp s LYS 26 Ca 0.79 0.50 -0.08 0.00 0.02 0.00 0.00 55.97 57.20 2jrp s LYS 26 Cb -0.15 -0.40 -0.04 0.00 -0.52 0.00 0.00 37.83 36.72 2jrp s LYS 26 CO 0.24 -0.34 0.08 0.16 -0.92 0.00 0.00 175.35 174.57 2jrp s ASP 27 N 2.27 5.55 -0.13 2.83 -4.77 -1.26 -0.41 116.67 120.76 2jrp s ASP 27 Ca 0.04 -0.01 -0.04 0.00 -3.30 0.00 0.00 52.55 49.24 2jrp s ASP 27 Cb -0.12 -1.97 -0.03 0.00 -1.09 0.00 0.00 42.92 39.70 2jrp s ASP 27 CO -0.06 0.09 0.01 -0.36 0.70 0.00 0.00 175.17 175.55 2jrp s PHE 28 N 0.88 3.15 -0.04 2.11 0.08 -0.11 -4.80 117.98 119.25 2jrp s PHE 28 Ca 0.04 0.04 -0.30 0.00 0.12 0.00 0.00 56.93 56.83 2jrp s PHE 28 Cb -0.14 -1.90 -0.04 0.00 -0.57 0.00 0.00 43.02 40.37 2jrp s PHE 28 CO 0.03 0.27 1.25 0.45 -0.10 0.00 0.00 175.22 177.11 2jrp s SER 29 N -0.27 7.00 -0.28 1.36 0.15 -1.26 0.26 113.70 120.67 2jrp s SER 29 Ca 0.06 1.89 -0.11 0.00 0.70 0.00 0.00 55.95 58.49 2jrp s SER 29 Cb -0.12 -2.56 -0.05 0.00 -1.71 0.00 0.00 66.02 61.58 2jrp s SER 29 CO 0.02 -0.61 0.19 -0.76 1.20 0.00 0.00 173.24 173.27 2jrp s LEU 30 N 2.24 4.02 0.05 3.45 1.43 0.82 -2.84 118.68 127.84 2jrp s LEU 30 Ca 0.58 -0.01 0.05 0.00 -1.03 0.00 0.00 54.13 53.72 2jrp s LEU 30 Cb -0.26 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 2jrp s LEU 30 CO 0.23 -0.04 -0.08 -1.10 0.23 0.00 0.00 176.35 175.59 2jrp s GLN 31 N 1.71 2.40 -0.24 1.70 -0.21 0.03 -4.82 119.66 120.23 2jrp s GLN 31 Ca 0.07 -0.84 -0.22 0.00 0.02 0.00 0.00 55.36 54.39 2jrp s GLN 31 Cb -0.16 -2.43 -0.02 0.00 1.00 0.00 0.00 33.01 31.41 2jrp s GLN 31 CO 0.10 0.56 0.68 0.00 -2.12 0.00 0.00 175.29 174.52 2jrp s ALA 32 N -1.09 3.60 -0.08 6.09 0.00 -1.26 -0.72 121.76 128.31 2jrp s ALA 32 Ca 0.19 -0.32 -0.02 0.00 0.00 0.00 0.00 51.96 51.82 2jrp s ALA 32 Cb -0.11 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 2jrp s ALA 32 CO 0.10 -0.78 0.01 -0.51 0.00 0.00 0.00 175.76 174.59 2jrp s LEU 33 N 2.46 3.63 -0.12 0.00 2.01 0.23 -4.21 118.68 122.68 2jrp s LEU 33 Ca 0.29 0.15 -0.07 0.00 0.01 0.00 0.00 54.13 54.51 2jrp s LEU 33 Cb -0.16 -1.87 -0.04 0.00 0.01 0.00 0.00 46.19 44.13 2jrp s LEU 33 CO 0.09 0.37 0.12 0.00 1.01 0.00 0.00 176.35 177.93 2jrp h PRO 35 N 5.22 0.00 0.14 0.00 0.13 -1.99 -0.76 132.00 134.73 2jrp h PRO 35 Ca -0.52 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.31 2jrp h PRO 35 Cb 1.22 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 2jrp h PRO 35 CO 0.60 0.00 -1.36 0.38 -0.23 0.00 0.00 178.00 177.39 2jrp h ASP 36 N 0.00 0.46 0.00 1.44 2.03 -2.01 -3.39 116.42 114.96 2jrp h ASP 36 Ca 0.04 -0.54 -0.26 0.00 -0.73 0.00 0.00 57.03 55.54 2jrp h ASP 36 Cb 0.21 -0.15 -0.04 0.00 -0.83 0.00 0.00 39.33 38.52 2jrp h ASP 36 CO -0.00 1.43 -1.41 0.00 -1.03 0.00 0.00 179.24 178.23 2jrp n ARG 38 N -4.41 -1.43 -4.23 0.00 5.12 -0.35 -4.97 116.66 106.39 2jrp n ARG 38 Ca -0.35 1.18 -0.15 0.00 -1.93 0.00 0.00 57.85 56.60 2jrp n ARG 38 Cb 0.70 -5.57 -0.10 0.00 -1.16 0.00 0.00 32.46 26.33 2jrp n ARG 38 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2jrp s GLN 39 N -3.87 1.01 -0.45 5.56 -0.21 -1.26 -5.04 119.66 115.39 2jrp s GLN 39 Ca 0.00 -1.33 -0.41 0.00 0.02 0.00 0.00 55.36 53.63 2jrp s GLN 39 Cb 0.00 -0.68 -0.17 0.00 1.00 0.00 0.00 33.01 33.16 2jrp s GLN 39 CO 0.00 0.10 2.13 -0.35 -2.12 0.00 0.00 175.29 175.05 2jrp n PRO 40 N 0.15 0.37 -2.44 2.91 -0.04 -1.26 -4.75 135.00 129.94 2jrp n PRO 40 Ca -0.13 0.10 -0.35 0.00 -0.04 0.00 0.00 63.50 63.08 2jrp n PRO 40 Cb 0.59 -1.82 -0.02 0.00 -0.04 0.00 0.00 33.50 32.21 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 6.26 3.90 -0.05 1.53 1.02 -1.26 -4.93 118.68 125.14 2jrp s LEU 41 Ca 1.16 2.06 -0.29 0.00 0.02 0.00 0.00 54.13 57.07 2jrp s LEU 41 Cb -1.29 -4.45 -0.07 0.00 0.02 0.00 0.00 46.19 40.40 2jrp s LEU 41 CO 0.61 -0.84 2.05 -1.10 0.02 0.00 0.00 176.35 177.09 2jrp s GLN 42 N -3.03 3.79 -0.38 1.70 -0.21 -1.19 -4.50 119.66 115.84 2jrp s GLN 42 Ca 0.66 2.40 -0.28 0.00 0.02 0.00 0.00 55.36 58.16 2jrp s GLN 42 Cb -0.21 -4.24 -0.01 0.00 1.00 0.00 0.00 33.01 29.56 2jrp s GLN 42 CO 0.25 -1.36 1.63 0.54 -2.12 0.00 0.00 175.29 174.23 2jrp s VAL 43 N 5.80 3.66 -0.25 1.09 0.11 -1.26 -0.96 120.40 128.59 2jrp s VAL 43 Ca 0.93 0.66 0.02 0.00 -2.93 0.00 0.00 61.98 60.66 2jrp s VAL 43 Cb -0.39 -3.91 0.06 0.00 -1.53 0.00 0.00 36.38 30.61 2jrp s VAL 43 CO 0.39 -0.59 -0.10 -0.76 -3.33 0.00 0.00 175.10 170.71 2jrp s LEU 44 N 6.30 3.17 -0.91 2.54 1.43 0.11 -4.98 118.68 126.33 2jrp s LEU 44 Ca 0.71 -1.30 -0.17 0.00 -1.03 0.00 0.00 54.13 52.34 2jrp s LEU 44 Cb -0.18 -1.46 0.16 0.00 0.03 0.00 0.00 46.19 44.73 2jrp s LEU 44 CO 0.33 -0.19 1.04 -0.54 0.23 0.00 0.00 176.35 177.22 2jrp s LYS 45 N 1.18 3.63 -1.13 1.70 1.02 -1.26 -0.42 119.74 124.45 2jrp s LYS 45 Ca -0.07 -2.01 -0.21 0.00 0.02 0.00 0.00 55.97 53.70 2jrp s LYS 45 Cb -0.19 -4.78 0.06 0.00 -0.52 0.00 0.00 37.83 32.40 2jrp s LYS 45 CO -0.06 -1.63 1.56 0.00 -0.92 0.00 0.00 175.35 174.30 2jrp s ALA 46 N 1.88 3.00 0.00 5.17 0.00 0.76 -4.79 121.76 127.79 2jrp s ALA 46 Ca 0.29 -2.56 0.00 0.00 0.00 0.00 0.00 51.96 49.69 2jrp s ALA 46 Cb -0.06 -4.56 0.00 0.00 0.00 0.00 0.00 23.12 18.50 2jrp s ALA 46 CO -0.09 -3.46 0.00 0.00 0.00 0.00 0.00 175.76 172.21 2jrp n GLY 48 N 0.00 1.96 3.25 0.00 0.00 -1.26 -5.00 105.19 104.13 2jrp n GLY 48 Ca 0.00 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.78 1.90 -0.35 4.61 0.00 -0.49 -5.11 121.76 121.55 2jrp s ALA 49 Ca 0.01 -0.97 -0.13 0.00 0.00 0.00 0.00 51.96 50.88 2jrp s ALA 49 Cb 0.01 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 2jrp s ALA 49 CO 0.01 0.44 0.24 0.08 0.00 0.00 0.00 175.76 176.53 2jrp s VAL 50 N -0.43 5.13 0.26 0.00 1.01 -1.26 -0.17 120.40 124.93 2jrp s VAL 50 Ca 0.06 -0.37 0.11 0.00 0.00 0.00 0.00 61.98 61.78 2jrp s VAL 50 Cb -0.10 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 2jrp s VAL 50 CO 0.00 -0.07 -0.18 -1.81 0.00 0.00 0.00 175.10 173.04 2jrp s ASP 51 N 1.69 3.32 -0.31 3.32 1.11 0.44 -4.99 116.67 121.25 2jrp s ASP 51 Ca 0.05 -1.03 -0.03 0.00 0.18 0.00 0.00 52.55 51.73 2jrp s ASP 51 Cb -0.18 -0.26 0.11 0.00 1.07 0.00 0.00 42.92 43.67 2jrp s ASP 51 CO 0.09 -0.02 0.15 -0.31 1.18 0.00 0.00 175.17 176.27 2jrp s TYR 52 N -2.64 0.40 -0.01 4.23 1.51 -1.26 0.04 117.35 119.62 2jrp s TYR 52 Ca 0.28 -1.05 -0.23 0.00 -1.01 0.00 0.00 57.07 55.06 2jrp s TYR 52 Cb -0.04 -0.89 0.05 0.00 -0.11 0.00 0.00 41.96 40.97 2jrp s TYR 52 CO 0.13 -0.83 0.51 -0.59 -1.11 0.00 0.00 175.55 173.66 2jrp s PHE 53 N 1.85 -0.43 -0.97 2.71 -0.12 -0.14 -4.58 117.98 116.30 2jrp s PHE 53 Ca 0.11 0.66 -0.24 0.00 -0.05 0.00 0.00 56.93 57.41 2jrp s PHE 53 Cb -0.18 0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 42.47 2jrp s PHE 53 CO -0.27 -0.55 1.84 0.00 -0.05 0.00 0.00 175.22 176.19 2jrp h GLN 55 N 10.69 0.53 -6.38 0.00 4.15 -1.89 -1.17 115.11 121.04 2jrp h GLN 55 Ca 0.14 -0.05 -0.60 0.00 0.77 0.00 0.00 58.65 58.91 2jrp h GLN 55 Cb 0.99 -0.11 -0.22 0.00 0.21 0.00 0.00 27.48 28.35 2jrp h GLN 55 CO 1.26 0.40 -0.84 0.54 -1.93 0.00 0.00 178.83 178.26 2jrp s ASN 56 N -5.63 2.77 0.00 -0.69 4.22 -1.26 -4.23 114.94 110.12 2jrp s ASN 56 Ca -0.13 -0.68 0.00 0.00 -2.14 0.00 0.00 52.86 49.90 2jrp s ASN 56 Cb 0.10 -0.17 0.00 0.00 1.28 0.00 0.00 41.25 42.46 2jrp s ASN 56 CO 0.73 0.11 0.00 0.61 -2.04 0.00 0.00 177.10 176.51 2jrp n GLY 57 N 1.14 3.10 1.93 0.45 0.00 -1.26 -4.69 105.19 105.85 2jrp n GLY 57 Ca -0.19 0.00 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 -0.78 -1.69 0.00 1.61 -0.00 -1.26 -5.17 115.22 107.93 2jrp n HIS 58 Ca 0.00 0.30 0.00 0.00 -0.00 0.00 0.00 57.72 58.02 2jrp n HIS 58 Cb 0.00 0.53 0.00 0.00 -0.00 0.00 0.00 29.99 30.52 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 1.65 4.12 3.74 1.57 0.00 -0.44 -5.07 105.19 110.76 2jrp n GLY 59 Ca 0.00 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 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 4.42 -0.10 0.99 0.05 -1.23 -4.33 118.68 118.49 2jrp s LEU 60 Ca 0.00 2.48 -0.04 0.00 0.05 0.00 0.00 54.13 56.62 2jrp s LEU 60 Cb 0.00 -3.62 -0.04 0.00 -2.05 0.00 0.00 46.19 40.48 2jrp s LEU 60 CO 0.00 -0.53 0.06 -0.63 -0.55 0.00 0.00 176.35 174.70 2jrp s ILE 61 N -0.18 4.85 -0.08 1.48 -1.09 -1.26 -5.04 121.20 119.88 2jrp s ILE 61 Ca 0.55 -0.04 -0.37 0.00 -2.23 0.00 0.00 60.65 58.55 2jrp s ILE 61 Cb -0.37 -3.07 -0.15 0.00 -1.58 0.00 0.00 42.46 37.28 2jrp s ILE 61 CO 0.41 0.61 1.62 -1.20 -1.23 0.00 0.00 174.94 175.15 2jrp n SER 62 N 2.07 2.40 0.27 3.58 7.64 -1.26 -4.82 113.62 123.50 2jrp n SER 62 Ca -0.19 1.07 0.13 0.00 1.01 0.00 0.00 58.87 60.89 2jrp n SER 62 Cb 0.54 -1.23 0.74 0.00 -1.01 0.00 0.00 64.21 63.26 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 6.54 0.00 -0.05 1.43 3.64 -1.96 0.26 116.57 126.42 2jrp h LYS 63 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2jrp h LYS 63 Cb 1.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 2jrp h LYS 63 CO 0.89 0.11 0.00 1.63 -2.27 0.00 0.00 179.45 179.81 2jrp n LYS 64 N -3.69 1.48 -0.01 1.90 5.02 -1.26 -3.79 118.16 117.82 2jrp n LYS 64 Ca -0.02 -0.71 0.01 0.00 -2.02 0.00 0.00 58.31 55.56 2jrp n LYS 64 Cb 0.22 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.75 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 -0.11 1.27 -1.28 1.97 0.63 0.73 -5.03 116.66 114.83 2jrp n ARG 65 Ca 0.19 -0.03 -0.33 0.00 -0.92 0.00 0.00 57.85 56.76 2jrp n ARG 65 Cb 0.27 -1.10 0.10 0.00 0.45 0.00 0.00 32.46 32.18 2jrp n ARG 65 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 2jrp s VAL 66 N -2.23 2.58 -0.39 5.15 -7.23 -0.13 -5.00 120.40 113.15 2jrp s VAL 66 Ca -0.02 0.24 -0.07 0.00 -1.81 0.00 0.00 61.98 60.32 2jrp s VAL 66 Cb 0.02 -2.65 0.07 0.00 0.56 0.00 0.00 36.38 34.38 2jrp s VAL 66 CO 0.18 -0.20 0.21 0.21 -0.31 0.00 0.00 175.10 175.18 2jrp s ASN 67 N -2.52 5.48 -0.47 4.85 2.47 -1.04 -4.92 114.94 118.79 2jrp s ASN 67 Ca 0.69 -1.50 -0.28 0.00 0.42 0.00 0.00 52.86 52.19 2jrp s ASN 67 Cb -0.24 -1.93 0.03 0.00 -1.45 0.00 0.00 41.25 37.66 2jrp s ASN 67 CO 0.50 -0.48 1.08 -0.36 -3.72 0.00 0.00 177.10 174.12 2jrp s PHE 68 N 1.37 2.85 0.38 0.43 0.40 -1.25 -0.60 117.98 121.56 2jrp s PHE 68 Ca 0.02 0.64 0.04 0.00 -0.60 0.00 0.00 56.93 57.03 2jrp s PHE 68 Cb -0.22 -4.31 -0.04 0.00 0.51 0.00 0.00 43.02 38.96 2jrp s PHE 68 CO 0.01 -1.22 0.09 0.14 0.70 0.00 0.00 175.22 174.94 2jrp s VAL 69 N 4.27 0.91 -0.33 -0.44 -7.23 0.10 -4.84 120.40 112.84 2jrp s VAL 69 Ca 0.45 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.33 2jrp s VAL 69 Cb -0.08 -2.52 0.01 0.00 0.56 0.00 0.00 36.38 34.34 2jrp s VAL 69 CO 0.30 0.00 1.26 -0.63 -0.31 0.00 0.00 175.10 175.72 2jrp s ILE 70 N -3.21 4.18 -0.04 -0.62 1.01 -1.26 -0.79 121.20 120.47 2jrp s ILE 70 Ca 0.27 1.31 -0.01 0.00 0.00 0.00 0.00 60.65 62.23 2jrp s ILE 70 Cb 0.05 -4.24 0.03 0.00 0.01 0.00 0.00 42.46 38.30 2jrp s ILE 70 CO 0.14 -0.56 0.02 -0.44 0.00 0.00 0.00 174.94 174.10 2jrp s SER 71 N 2.70 0.79 0.28 3.58 0.01 -1.13 -4.95 113.70 114.98 2jrp s SER 71 Ca 0.54 -0.00 -0.12 0.00 1.31 0.00 0.00 55.95 57.68 2jrp s SER 71 Cb -0.15 -0.23 0.05 0.00 0.21 0.00 0.00 66.02 65.90 2jrp s SER 71 CO 0.24 -0.16 0.63 -0.67 0.41 0.00 0.00 173.24 173.69 2jrp n ASP 72 N 4.63 -1.70 0.00 2.44 2.03 -1.26 -4.78 116.55 117.90 2jrp n ASP 72 Ca -0.17 -2.15 0.00 0.00 0.52 0.00 0.00 54.79 52.99 2jrp n ASP 72 Cb 0.50 2.83 0.00 0.00 -0.72 0.00 0.00 41.12 43.73 2jrp n ASP 72 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 2jrp n GLN 73 N -0.43 -0.02 -2.04 -0.67 -0.06 -1.26 -4.98 117.38 107.92 2jrp n GLN 73 Ca -0.06 -0.32 -0.17 0.00 -2.00 0.00 0.00 57.00 54.45 2jrp n GLN 73 Cb 0.45 -0.66 -0.03 0.00 -4.06 0.00 0.00 30.24 25.94 2jrp n GLN 73 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 2jrp n LEU 74 N -0.04 -1.61 -4.35 1.69 4.77 -1.26 -4.96 117.00 111.23 2jrp n LEU 74 Ca 0.00 0.14 -0.43 0.00 -0.03 0.00 0.00 56.01 55.69 2jrp n LEU 74 Cb 0.23 -2.52 -0.09 0.00 -2.33 0.00 0.00 43.42 38.71 2jrp n LEU 74 CO 0.00 -0.44 -0.04 -0.70 -1.33 0.00 0.00 177.39 174.88 2jrp s GLU 75 N -4.38 2.84 -0.09 3.23 -6.30 -1.26 -4.95 118.70 107.79 2jrp s GLU 75 Ca 0.00 -1.34 0.05 0.00 -2.50 0.00 0.00 54.97 51.18 2jrp s GLU 75 Cb 0.00 -3.97 0.31 0.00 0.00 0.00 0.00 34.13 30.47 2jrp s GLU 75 CO 0.00 -0.96 0.98 0.72 0.02 0.00 0.00 175.26 176.02 2jrp n HIS 76 N 5.09 0.79 -0.37 5.30 8.25 -1.26 -4.97 115.22 128.05 2jrp n HIS 76 Ca -0.12 -0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.07 2jrp n HIS 76 Cb 0.44 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.29 2jrp n HIS 76 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jrp n HIS 77 N 0.24 -1.02 -2.32 4.41 -0.00 -1.26 -5.01 115.22 110.26 2jrp n HIS 77 Ca 0.11 0.55 -0.02 0.00 0.46 0.00 0.00 57.72 58.81 2jrp n HIS 77 Cb 0.61 -1.55 0.00 0.00 -0.12 0.00 0.00 29.99 28.93 2jrp n HIS 77 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jrp n HIS 78 N -1.05 -2.44 -3.73 1.57 -0.00 -1.26 -5.02 115.22 103.29 2jrp n HIS 78 Ca 0.00 1.05 -0.29 0.00 -0.00 0.00 0.00 57.72 58.48 2jrp n HIS 78 Cb 0.01 -3.14 -0.12 0.00 -0.00 0.00 0.00 29.99 26.73 2jrp n HIS 78 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jrp s HIS 79 N -1.45 2.35 -0.06 1.57 5.04 -1.26 -4.75 115.29 116.73 2jrp s HIS 79 Ca 0.07 -2.71 0.08 0.00 -1.54 0.00 0.00 55.06 50.96 2jrp s HIS 79 Cb -0.02 -2.02 -0.12 0.00 0.04 0.00 0.00 32.58 30.45 2jrp s HIS 79 CO 0.50 -0.73 0.10 1.58 -2.34 0.00 0.00 174.74 173.85 2jrp n HIS 80 N 3.00 0.00 0.71 3.88 -0.00 -1.26 -5.22 115.22 116.33 2jrp n HIS 80 Ca 0.14 0.00 0.09 0.00 0.46 0.00 0.00 57.72 58.41 2jrp n HIS 80 Cb 0.37 -0.35 0.07 0.00 -0.12 0.00 0.00 29.99 29.95 2jrp n HIS 80 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52