#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrp n GLU 2 N 0.00 2.46 -2.27 3.17 4.71 -1.26 -4.93 120.64 122.51 2jrp n GLU 2 Ca 0.00 -3.36 -0.00 0.00 -0.01 0.00 0.00 57.16 53.79 2jrp n GLU 2 Cb 0.00 -2.10 -0.00 0.00 -1.01 0.00 0.00 31.44 28.33 2jrp n GLU 2 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 2jrp n ILE 3 N -1.00 -8.44 -4.92 -3.67 2.08 -1.26 -4.29 119.36 97.86 2jrp n ILE 3 Ca 0.48 1.19 -0.27 0.00 0.56 0.00 0.00 62.75 64.71 2jrp n ILE 3 Cb 1.06 -5.88 -0.16 0.00 -0.75 0.00 0.00 39.64 33.91 2jrp n ILE 3 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 2jrp s THR 4 N -1.04 1.56 0.26 1.39 -4.23 -1.26 -1.32 115.64 111.01 2jrp s THR 4 Ca -0.00 -0.78 -0.30 0.00 -1.18 0.00 0.00 61.69 59.43 2jrp s THR 4 Cb 0.00 -1.34 -0.09 0.00 1.34 0.00 0.00 72.50 72.41 2jrp s THR 4 CO 0.50 0.45 1.04 0.00 -0.54 0.00 0.00 174.62 176.06 2jrp h PRO 6 N 3.94 0.00 -0.00 0.00 0.13 -2.02 -0.61 132.00 133.44 2jrp h PRO 6 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 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 0.67 0.00 0.00 1.33 -0.23 0.00 0.00 178.00 179.77 2jrp n VAL 7 N -3.37 0.30 -3.20 1.56 0.24 -1.26 -4.77 118.33 107.83 2jrp n VAL 7 Ca -0.01 -0.65 -0.23 0.00 -2.04 0.00 0.00 64.34 61.41 2jrp n VAL 7 Cb 0.27 0.85 -0.06 0.00 -1.47 0.00 0.00 33.84 33.43 2jrp n VAL 7 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jrp s HIS 9 N -1.51 2.08 0.09 0.00 0.09 -1.12 -2.90 115.29 112.02 2jrp s HIS 9 Ca 0.36 0.23 0.00 0.00 -0.00 0.00 0.00 55.06 55.66 2jrp s HIS 9 Cb 0.20 -4.45 0.00 0.00 -0.00 0.00 0.00 32.58 28.33 2jrp s HIS 9 CO -0.10 -2.15 0.00 -2.39 -0.00 0.00 0.00 174.74 170.10 2jrp n HIS 10 N 10.46 -2.26 0.00 1.40 1.44 -1.26 -5.03 115.22 119.96 2jrp n HIS 10 Ca 0.09 0.31 0.00 0.00 -2.01 0.00 0.00 57.72 56.11 2jrp n HIS 10 Cb 0.50 1.04 0.00 0.00 0.12 0.00 0.00 29.99 31.65 2jrp n HIS 10 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2jrp n ALA 11 N -2.60 0.00 -2.57 1.59 0.00 -1.26 -4.89 120.51 110.78 2jrp n ALA 11 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 2jrp n ALA 11 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 0.00 2.67 -0.36 0.00 1.43 -0.43 -4.80 118.68 117.18 2jrp s LEU 12 Ca 0.00 -1.38 -0.18 0.00 -1.03 0.00 0.00 54.13 51.55 2jrp s LEU 12 Cb 0.00 -1.04 -0.00 0.00 0.03 0.00 0.00 46.19 45.18 2jrp s LEU 12 CO 0.00 -0.80 0.49 -0.70 0.23 0.00 0.00 176.35 175.57 2jrp s GLU 13 N -3.97 3.54 -0.90 1.70 2.12 -0.19 -4.93 118.70 116.07 2jrp s GLU 13 Ca 0.25 -0.27 -0.25 0.00 0.36 0.00 0.00 54.97 55.06 2jrp s GLU 13 Cb 0.02 -3.83 0.03 0.00 0.26 0.00 0.00 34.13 30.61 2jrp s GLU 13 CO 0.14 -0.66 1.46 0.50 -0.54 0.00 0.00 175.26 176.16 2jrp s ARG 14 N 2.32 3.33 -0.40 4.30 3.52 -1.25 -0.22 118.95 130.55 2jrp s ARG 14 Ca 0.17 -0.69 -0.08 0.00 -0.13 0.00 0.00 55.73 55.00 2jrp s ARG 14 Cb -0.16 -4.93 0.08 0.00 -1.56 0.00 0.00 34.95 28.38 2jrp s ARG 14 CO 0.13 -2.32 0.23 1.21 -0.81 0.00 0.00 175.30 173.74 2jrp s ASN 15 N 5.03 5.54 -0.75 -2.12 2.47 0.52 -4.44 114.94 121.19 2jrp s ASN 15 Ca 0.46 -1.51 -0.03 0.00 0.42 0.00 0.00 52.86 52.19 2jrp s ASN 15 Cb -0.04 -1.95 0.00 0.00 -1.45 0.00 0.00 41.25 37.82 2jrp s ASN 15 CO -0.00 -0.51 0.45 0.61 -3.72 0.00 0.00 177.10 173.94 2jrp n GLY 16 N 4.86 0.12 2.66 1.21 0.00 -1.26 -2.20 105.19 110.59 2jrp n GLY 16 Ca -0.10 -0.26 -0.05 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.61 -5.16 -4.77 1.61 2.03 -1.26 -4.97 116.55 103.41 2jrp n ASP 17 Ca -0.03 0.13 -0.23 0.00 0.52 0.00 0.00 54.79 55.19 2jrp n ASP 17 Cb 0.55 -3.14 -0.06 0.00 -0.72 0.00 0.00 41.12 37.75 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 -1.70 2.69 -0.41 5.18 2.01 -0.93 -4.70 115.64 117.78 2jrp s THR 18 Ca 0.00 -1.60 -0.05 0.00 0.31 0.00 0.00 61.69 60.35 2jrp s THR 18 Cb 0.00 -3.00 0.10 0.00 0.01 0.00 0.00 72.50 69.61 2jrp s THR 18 CO 0.00 -0.07 0.21 0.00 -0.69 0.00 0.00 174.62 174.07 2jrp s ALA 19 N -2.50 3.18 -0.24 7.40 0.00 -0.33 -0.35 121.76 128.92 2jrp s ALA 19 Ca 0.42 -2.34 -0.13 0.00 0.00 0.00 0.00 51.96 49.90 2jrp s ALA 19 Cb -0.00 -2.47 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 2jrp s ALA 19 CO 0.24 -1.71 0.29 -1.58 0.00 0.00 0.00 175.76 173.00 2jrp s HIS 20 N 1.26 3.31 -0.08 0.00 5.04 0.70 0.23 115.29 125.75 2jrp s HIS 20 Ca 0.05 0.40 -0.30 0.00 -1.54 0.00 0.00 55.06 53.67 2jrp s HIS 20 Cb -0.23 -2.43 -0.02 0.00 0.04 0.00 0.00 32.58 29.94 2jrp s HIS 20 CO -0.02 -0.04 1.05 0.00 -2.34 0.00 0.00 174.74 173.39 2jrp h GLU 22 N 7.15 0.39 0.10 0.00 4.81 -1.89 -0.71 114.58 124.43 2jrp h GLU 22 Ca -0.32 -0.02 -0.34 0.00 -0.13 0.00 0.00 59.36 58.54 2jrp h GLU 22 Cb 1.16 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 2jrp h GLU 22 CO 0.85 0.26 -1.88 1.79 -0.73 0.00 0.00 179.01 179.30 2jrp h THR 23 N 0.40 0.73 0.00 0.32 1.35 -1.97 -3.35 112.91 110.39 2jrp h THR 23 Ca 0.12 -2.48 0.00 0.00 -0.55 0.00 0.00 66.41 63.50 2jrp h THR 23 Cb -0.02 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 2jrp h THR 23 CO -0.04 0.79 -0.43 0.00 -0.25 0.00 0.00 175.52 175.58 2jrp n ALA 25 N -2.00 -0.21 -2.58 0.00 0.00 -0.27 -4.97 120.51 110.47 2jrp n ALA 25 Ca 0.03 0.22 -0.32 0.00 0.00 0.00 0.00 53.44 53.37 2jrp n ALA 25 Cb 0.50 -1.72 -0.05 0.00 0.00 0.00 0.00 19.45 18.18 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 -3.10 3.70 -0.33 0.00 1.02 -1.25 -4.86 119.74 114.93 2jrp s LYS 26 Ca 0.00 0.07 -0.09 0.00 0.02 0.00 0.00 55.97 55.98 2jrp s LYS 26 Cb 0.00 -2.84 0.01 0.00 -0.52 0.00 0.00 37.83 34.48 2jrp s LYS 26 CO 0.00 0.46 0.13 -0.51 -0.92 0.00 0.00 175.35 174.51 2jrp s ASP 27 N -2.23 5.42 -0.25 2.83 1.01 -1.26 -0.75 116.67 121.44 2jrp s ASP 27 Ca 0.40 -0.80 -0.09 0.00 0.71 0.00 0.00 52.55 52.77 2jrp s ASP 27 Cb -0.12 -1.95 -0.04 0.00 1.01 0.00 0.00 42.92 41.82 2jrp s ASP 27 CO 0.22 -0.26 0.13 -0.36 0.21 0.00 0.00 175.17 175.11 2jrp s PHE 28 N 1.53 3.18 0.34 4.23 0.08 0.14 -4.99 117.98 122.48 2jrp s PHE 28 Ca 0.02 -0.08 -0.20 0.00 0.12 0.00 0.00 56.93 56.79 2jrp s PHE 28 Cb -0.18 -2.29 -0.10 0.00 -0.57 0.00 0.00 43.02 39.89 2jrp s PHE 28 CO 0.05 -0.18 0.85 0.45 -0.10 0.00 0.00 175.22 176.28 2jrp s SER 29 N 1.50 7.01 -0.38 1.36 0.15 -1.26 -1.19 113.70 120.89 2jrp s SER 29 Ca 0.06 1.56 -0.14 0.00 0.70 0.00 0.00 55.95 58.13 2jrp s SER 29 Cb -0.15 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 2jrp s SER 29 CO 0.07 -0.18 0.29 -0.76 1.20 0.00 0.00 173.24 173.86 2jrp s LEU 30 N -2.64 4.82 -0.10 3.45 2.01 -1.26 -3.53 118.68 121.43 2jrp s LEU 30 Ca 0.53 -0.65 0.00 0.00 0.01 0.00 0.00 54.13 54.02 2jrp s LEU 30 Cb -0.13 -2.17 -0.02 0.00 0.01 0.00 0.00 46.19 43.87 2jrp s LEU 30 CO 0.18 -0.36 -0.09 -1.10 1.01 0.00 0.00 176.35 175.99 2jrp s GLN 31 N 1.74 3.09 -0.71 1.70 -0.21 -0.42 -4.88 119.66 119.97 2jrp s GLN 31 Ca 0.06 -0.61 -0.27 0.00 0.02 0.00 0.00 55.36 54.56 2jrp s GLN 31 Cb -0.18 -2.64 0.03 0.00 1.00 0.00 0.00 33.01 31.22 2jrp s GLN 31 CO 0.10 0.44 1.28 0.00 -2.12 0.00 0.00 175.29 174.99 2jrp s ALA 32 N -0.21 2.79 -0.03 6.09 0.00 -1.26 -1.74 121.76 127.39 2jrp s ALA 32 Ca 0.02 -1.25 -0.06 0.00 0.00 0.00 0.00 51.96 50.68 2jrp s ALA 32 Cb -0.13 -4.22 -0.04 0.00 0.00 0.00 0.00 23.12 18.73 2jrp s ALA 32 CO 0.03 -3.18 0.21 -0.51 0.00 0.00 0.00 175.76 172.31 2jrp s LEU 33 N 5.65 4.38 -0.28 0.00 2.01 0.46 -4.69 118.68 126.22 2jrp s LEU 33 Ca 0.37 0.47 -0.09 0.00 0.01 0.00 0.00 54.13 54.90 2jrp s LEU 33 Cb -0.08 -2.49 -0.03 0.00 0.01 0.00 0.00 46.19 43.60 2jrp s LEU 33 CO 0.17 0.30 0.13 0.00 1.01 0.00 0.00 176.35 177.97 2jrp h PRO 35 N 8.32 0.42 0.00 0.00 0.11 -1.96 0.11 132.00 139.00 2jrp h PRO 35 Ca -0.35 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 2jrp h PRO 35 Cb 1.17 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2jrp h PRO 35 CO 0.58 0.28 -0.03 0.38 -0.21 0.00 0.00 178.00 179.00 2jrp h ASP 36 N 0.44 0.00 -2.00 -2.05 2.03 -2.04 -3.40 116.42 109.40 2jrp h ASP 36 Ca 0.52 0.00 -0.38 0.00 -0.73 0.00 0.00 57.03 56.45 2jrp h ASP 36 Cb 0.94 0.00 -0.32 0.00 -0.83 0.00 0.00 39.33 39.12 2jrp h ASP 36 CO -0.49 0.03 -0.69 0.00 -1.03 0.00 0.00 179.24 177.06 2jrp s ARG 38 N 1.48 3.69 0.31 0.00 0.52 -1.18 -3.92 118.95 119.85 2jrp s ARG 38 Ca 0.16 -1.67 -0.09 0.00 -0.52 0.00 0.00 55.73 53.61 2jrp s ARG 38 Cb -0.16 -5.45 0.01 0.00 0.52 0.00 0.00 34.95 29.87 2jrp s ARG 38 CO -0.05 -2.48 0.54 1.14 0.02 0.00 0.00 175.30 174.46 2jrp s GLN 39 N 4.73 1.82 -0.67 3.54 -2.07 -1.26 -5.07 119.66 120.67 2jrp s GLN 39 Ca 0.55 -1.49 -0.26 0.00 -1.82 0.00 0.00 55.36 52.34 2jrp s GLN 39 Cb 0.02 0.49 -0.07 0.00 -1.09 0.00 0.00 33.01 32.36 2jrp s GLN 39 CO 0.05 -0.78 2.21 -2.14 -1.32 0.00 0.00 175.29 173.31 2jrp s PRO 40 N -3.31 2.15 0.21 9.60 0.02 -1.26 -4.78 135.00 137.62 2jrp s PRO 40 Ca 0.24 0.67 -0.18 0.00 0.02 0.00 0.00 61.00 61.75 2jrp s PRO 40 Cb -0.01 -4.68 0.19 0.00 0.02 0.00 0.00 34.50 30.01 2jrp s PRO 40 CO 0.14 -3.51 1.58 -0.07 -0.33 0.00 0.00 177.00 174.81 2jrp h LEU 41 N 19.45 -1.16 0.00 -5.54 4.07 -1.88 -3.44 115.31 126.82 2jrp h LEU 41 Ca -0.12 0.25 0.00 0.00 0.08 0.00 0.00 57.88 58.09 2jrp h LEU 41 Cb 1.12 0.61 0.00 0.00 1.08 0.00 0.00 40.66 43.47 2jrp h LEU 41 CO 1.14 -0.29 0.00 1.67 -1.08 0.00 0.00 178.44 179.88 2jrp n GLN 42 N -5.46 0.00 -2.48 1.13 -0.06 -1.22 -3.59 117.38 105.70 2jrp n GLN 42 Ca 0.07 0.00 -0.40 0.00 -2.00 0.00 0.00 57.00 54.67 2jrp n GLN 42 Cb 0.38 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.52 2jrp n GLN 42 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 2jrp s VAL 43 N 0.00 3.76 -0.32 1.69 1.01 -1.26 -2.12 120.40 123.15 2jrp s VAL 43 Ca 0.00 -0.16 -0.16 0.00 0.00 0.00 0.00 61.98 61.66 2jrp s VAL 43 Cb 0.00 -4.84 -0.02 0.00 0.00 0.00 0.00 36.38 31.52 2jrp s VAL 43 CO 0.00 -1.76 0.43 -0.76 0.00 0.00 0.00 175.10 173.01 2jrp s LEU 44 N 5.97 4.28 -0.13 3.92 1.43 0.63 -4.94 118.68 129.84 2jrp s LEU 44 Ca 0.45 0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 53.52 2jrp s LEU 44 Cb -0.05 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 2jrp s LEU 44 CO 0.04 -0.35 0.04 -1.59 0.23 0.00 0.00 176.35 174.72 2jrp s LYS 45 N 2.19 3.46 0.00 1.70 -2.85 -1.26 -0.26 119.74 122.71 2jrp s LYS 45 Ca 0.16 -0.36 0.00 0.00 -1.00 0.00 0.00 55.97 54.77 2jrp s LYS 45 Cb -0.16 -3.00 0.00 0.00 -2.06 0.00 0.00 37.83 32.61 2jrp s LYS 45 CO 0.12 0.52 0.00 0.00 0.10 0.00 0.00 175.35 176.09 2jrp n ALA 46 N 2.72 0.00 0.08 0.59 0.00 0.09 -5.00 120.51 119.00 2jrp n ALA 46 Ca -0.18 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.20 2jrp n ALA 46 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.95 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 0.91 4.93 3.64 0.00 0.00 -1.26 -5.02 105.19 108.39 2jrp n GLY 48 Ca -0.05 -2.24 -0.06 0.00 0.00 0.00 0.00 46.02 43.67 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 -3.58 -2.12 -0.16 4.61 0.00 -1.26 -5.06 121.76 114.20 2jrp s ALA 49 Ca 0.43 2.00 -0.03 0.00 0.00 0.00 0.00 51.96 54.36 2jrp s ALA 49 Cb 0.39 -1.58 -0.02 0.00 0.00 0.00 0.00 23.12 21.91 2jrp s ALA 49 CO -0.03 -0.27 -0.05 0.14 0.00 0.00 0.00 175.76 175.55 2jrp s VAL 50 N 0.68 3.76 0.01 0.00 -7.23 -1.26 -0.73 120.40 115.63 2jrp s VAL 50 Ca -0.02 -0.40 0.08 0.00 -1.81 0.00 0.00 61.98 59.83 2jrp s VAL 50 Cb -0.04 -2.64 -0.03 0.00 0.56 0.00 0.00 36.38 34.23 2jrp s VAL 50 CO -0.10 0.49 -0.24 -0.62 -0.31 0.00 0.00 175.10 174.32 2jrp s ASP 51 N 0.43 3.30 -0.39 4.85 2.15 0.65 -4.96 116.67 122.70 2jrp s ASP 51 Ca -0.04 -0.49 -0.05 0.00 0.43 0.00 0.00 52.55 52.40 2jrp s ASP 51 Cb -0.14 -0.40 0.09 0.00 -0.30 0.00 0.00 42.92 42.16 2jrp s ASP 51 CO 0.03 0.29 0.18 -0.31 -0.17 0.00 0.00 175.17 175.19 2jrp s TYR 52 N -0.75 3.44 -0.08 -5.34 1.51 -1.26 -0.27 117.35 114.59 2jrp s TYR 52 Ca 0.12 -2.01 -0.00 0.00 -1.01 0.00 0.00 57.07 54.16 2jrp s TYR 52 Cb -0.10 -2.92 0.03 0.00 -0.11 0.00 0.00 41.96 38.85 2jrp s TYR 52 CO 0.01 -0.90 -0.04 0.12 -1.11 0.00 0.00 175.55 173.64 2jrp s PHE 53 N 1.26 1.01 -0.16 2.71 5.36 -0.90 -4.69 117.98 122.57 2jrp s PHE 53 Ca 0.04 -0.40 -0.29 0.00 -0.96 0.00 0.00 56.93 55.32 2jrp s PHE 53 Cb -0.22 -0.95 -0.04 0.00 -0.34 0.00 0.00 43.02 41.46 2jrp s PHE 53 CO -0.01 -0.37 1.72 0.00 -1.46 0.00 0.00 175.22 175.09 2jrp n GLN 55 N 7.63 0.23 -0.07 0.00 6.02 -1.25 -2.24 117.38 127.70 2jrp n GLN 55 Ca 0.20 0.09 -0.05 0.00 -0.01 0.00 0.00 57.00 57.23 2jrp n GLN 55 Cb 0.44 -0.90 -0.14 0.00 1.02 0.00 0.00 30.24 30.66 2jrp n GLN 55 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2jrp n ASN 56 N -3.85 0.70 0.03 1.08 4.05 -1.26 -4.31 115.26 111.69 2jrp n ASN 56 Ca -0.09 0.00 0.11 0.00 0.45 0.00 0.00 54.58 55.05 2jrp n ASN 56 Cb 0.29 1.14 0.47 0.00 1.23 0.00 0.00 39.78 42.91 2jrp n ASN 56 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2jrp n GLY 57 N 1.81 -1.31 0.10 8.20 0.00 -1.24 -4.82 105.19 107.94 2jrp n GLY 57 Ca -0.23 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.66 -0.13 0.00 1.61 -0.00 -1.26 -5.04 115.22 108.74 2jrp n HIS 58 Ca 0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.23 2jrp n HIS 58 Cb 0.27 0.03 0.00 0.00 -0.12 0.00 0.00 29.99 30.17 2jrp n HIS 58 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2jrp n GLY 59 N -0.80 3.37 3.72 1.57 0.00 -1.24 -4.91 105.19 106.90 2jrp n GLY 59 Ca 0.00 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 2jrp n GLY 59 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2jrp n LEU 60 N 0.00 3.88 -4.28 0.99 -0.00 -0.95 -4.33 117.00 112.31 2jrp n LEU 60 Ca 0.00 1.20 -0.30 0.00 -0.00 0.00 0.00 56.01 56.90 2jrp n LEU 60 Cb 0.00 -1.52 -0.16 0.00 -0.00 0.00 0.00 43.42 41.74 2jrp n LEU 60 CO 0.00 -0.25 -0.56 -0.63 -0.00 0.00 0.00 177.39 175.95 2jrp s ILE 61 N -0.81 1.96 -0.24 1.47 -1.09 -1.26 -5.01 121.20 116.21 2jrp s ILE 61 Ca 0.58 -1.05 -0.35 0.00 -2.23 0.00 0.00 60.65 57.60 2jrp s ILE 61 Cb -0.55 -1.63 -0.12 0.00 -1.58 0.00 0.00 42.46 38.59 2jrp s ILE 61 CO 0.59 0.55 2.02 -0.24 -1.23 0.00 0.00 174.94 176.63 2jrp n SER 62 N 2.56 2.72 0.28 3.58 2.88 -1.26 -4.82 113.62 119.56 2jrp n SER 62 Ca -0.16 0.69 0.16 0.00 -1.33 0.00 0.00 58.87 58.22 2jrp n SER 62 Cb 0.52 -1.31 0.82 0.00 -0.75 0.00 0.00 64.21 63.49 2jrp n SER 62 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2jrp h LYS 63 N 10.74 0.00 0.00 -1.46 3.64 -1.98 0.13 116.57 127.64 2jrp h LYS 63 Ca -0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2jrp h LYS 63 Cb 1.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 2jrp h LYS 63 CO 0.98 0.07 0.00 0.87 -2.27 0.00 0.00 179.45 179.10 2jrp h LYS 64 N 0.00 0.00 -0.02 1.90 1.57 -2.06 -3.03 116.57 114.93 2jrp h LYS 64 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jrp h LYS 64 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2jrp h LYS 64 CO 0.01 0.00 -0.01 -2.13 -0.57 0.00 0.00 179.45 176.75 2jrp n ARG 65 N -2.67 1.19 -2.68 3.15 0.63 0.41 -4.96 116.66 111.73 2jrp n ARG 65 Ca 0.03 -1.42 -0.40 0.00 -0.92 0.00 0.00 57.85 55.14 2jrp n ARG 65 Cb 0.38 -1.30 -0.06 0.00 0.45 0.00 0.00 32.46 31.93 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 -1.32 3.93 -1.09 5.15 1.01 -0.99 -4.95 120.40 122.14 2jrp s VAL 66 Ca 0.18 1.94 -0.22 0.00 0.00 0.00 0.00 61.98 63.88 2jrp s VAL 66 Cb 0.13 -4.23 0.04 0.00 0.00 0.00 0.00 36.38 32.32 2jrp s VAL 66 CO 0.20 0.46 1.57 0.20 0.00 0.00 0.00 175.10 177.53 2jrp s ASN 67 N -1.07 6.45 -0.78 3.32 -0.87 -0.81 -4.89 114.94 116.31 2jrp s ASN 67 Ca 0.42 -1.67 -0.26 0.00 -1.57 0.00 0.00 52.86 49.79 2jrp s ASN 67 Cb -0.27 -2.57 0.02 0.00 -0.02 0.00 0.00 41.25 38.40 2jrp s ASN 67 CO 0.34 -1.55 1.49 -0.36 -2.57 0.00 0.00 177.10 174.45 2jrp s PHE 68 N 5.31 2.16 0.25 2.20 0.40 -1.26 -0.40 117.98 126.64 2jrp s PHE 68 Ca 0.50 0.04 0.11 0.00 -0.60 0.00 0.00 56.93 56.99 2jrp s PHE 68 Cb 0.01 -4.48 -0.05 0.00 0.51 0.00 0.00 43.02 39.01 2jrp s PHE 68 CO -0.04 -2.08 -0.18 0.14 0.70 0.00 0.00 175.22 173.76 2jrp s VAL 69 N 6.66 2.59 -1.44 -0.44 -7.23 -0.71 -4.83 120.40 115.00 2jrp s VAL 69 Ca 0.47 -2.22 -0.14 0.00 -1.81 0.00 0.00 61.98 58.28 2jrp s VAL 69 Cb -0.07 -2.33 0.05 0.00 0.56 0.00 0.00 36.38 34.59 2jrp s VAL 69 CO 0.10 -0.31 2.17 2.30 -0.31 0.00 0.00 175.10 179.06 2jrp n ILE 70 N -0.38 3.56 -3.61 -0.62 -5.35 -1.26 -1.31 119.36 110.40 2jrp n ILE 70 Ca -0.07 -3.20 0.00 0.00 -0.27 0.00 0.00 62.75 59.21 2jrp n ILE 70 Cb 0.59 -2.57 0.00 0.00 -1.74 0.00 0.00 39.64 35.91 2jrp n ILE 70 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2jrp n SER 71 N 5.94 -3.73 -3.41 7.28 3.41 -1.23 -4.89 113.62 116.99 2jrp n SER 71 Ca 0.51 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.94 2jrp n SER 71 Cb 0.39 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.27 2jrp n SER 71 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jrp s ASP 72 N -4.00 1.33 0.00 4.04 2.15 -1.26 -5.05 116.67 113.89 2jrp s ASP 72 Ca 0.00 -1.65 -0.01 0.00 0.43 0.00 0.00 52.55 51.32 2jrp s ASP 72 Cb 0.00 0.57 -0.01 0.00 -0.30 0.00 0.00 42.92 43.18 2jrp s ASP 72 CO 0.00 -1.11 1.02 1.56 -0.17 0.00 0.00 175.17 176.48 2jrp h GLN 73 N 2.17 -0.05 0.00 4.34 4.20 -2.06 -3.46 115.11 120.25 2jrp h GLN 73 Ca -0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.45 2jrp h GLN 73 Cb 1.24 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.03 2jrp h GLN 73 CO 0.38 -0.03 0.00 -0.11 -0.67 0.00 0.00 178.83 178.40 2jrp n LEU 74 N -2.21 0.00 -4.83 1.46 7.94 -1.26 -4.40 117.00 113.70 2jrp n LEU 74 Ca -0.01 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.52 2jrp n LEU 74 Cb 0.02 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.91 2jrp n LEU 74 CO 0.01 0.00 0.08 -1.61 -1.11 0.00 0.00 177.39 174.76 2jrp s GLU 75 N 0.00 3.90 -0.06 1.96 8.01 -1.26 -4.97 118.70 126.28 2jrp s GLU 75 Ca 0.00 0.36 0.05 0.00 0.01 0.00 0.00 54.97 55.39 2jrp s GLU 75 Cb 0.00 -3.23 0.24 0.00 -4.31 0.00 0.00 34.13 26.83 2jrp s GLU 75 CO 0.00 0.67 0.95 0.72 0.01 0.00 0.00 175.26 177.61 2jrp n HIS 76 N 1.95 0.56 -3.15 1.61 8.25 -1.26 -4.74 115.22 118.43 2jrp n HIS 76 Ca -0.14 -0.20 -0.42 0.00 -0.26 0.00 0.00 57.72 56.69 2jrp n HIS 76 Cb 0.53 -0.17 -0.07 0.00 1.12 0.00 0.00 29.99 31.39 2jrp n HIS 76 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jrp s HIS 77 N -1.58 3.11 0.13 4.41 5.04 -1.26 -5.04 115.29 120.11 2jrp s HIS 77 Ca 0.16 0.05 -0.31 0.00 -1.54 0.00 0.00 55.06 53.42 2jrp s HIS 77 Cb 0.12 -3.19 -0.09 0.00 0.04 0.00 0.00 32.58 29.46 2jrp s HIS 77 CO 0.06 -0.74 1.51 -1.01 -2.34 0.00 0.00 174.74 172.22 2jrp s HIS 78 N 2.67 3.06 -1.33 3.88 3.76 -1.26 -4.90 115.29 121.16 2jrp s HIS 78 Ca 0.21 0.72 -0.15 0.00 -0.15 0.00 0.00 55.06 55.69 2jrp s HIS 78 Cb -0.15 -3.84 0.09 0.00 1.11 0.00 0.00 32.58 29.80 2jrp s HIS 78 CO 0.17 -3.07 1.85 1.58 -0.85 0.00 0.00 174.74 174.42 2jrp n HIS 79 N 4.17 4.15 -3.72 1.40 -0.00 -1.26 -4.86 115.22 115.11 2jrp n HIS 79 Ca 0.13 -2.97 -0.12 0.00 0.46 0.00 0.00 57.72 55.23 2jrp n HIS 79 Cb 0.40 -2.44 -0.11 0.00 -0.12 0.00 0.00 29.99 27.72 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 2.90 -0.47 0.00 1.57 5.65 -1.26 -5.33 115.29 118.35 2jrp s HIS 80 Ca 0.48 1.05 0.00 0.00 0.25 0.00 0.00 55.06 56.84 2jrp s HIS 80 Cb 0.06 0.17 0.00 0.00 -1.18 0.00 0.00 32.58 31.63 2jrp s HIS 80 CO 0.01 -0.27 0.00 -2.39 -0.65 0.00 0.00 174.74 171.43