#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 -1.05 -3.58 0.03 1.02 -1.26 -4.43 120.64 111.37 2jrp n GLU 2 Ca 0.00 0.69 -0.40 0.00 -0.02 0.00 0.00 57.16 57.43 2jrp n GLU 2 Cb 0.00 -1.28 -0.09 0.00 -0.02 0.00 0.00 31.44 30.06 2jrp n GLU 2 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2jrp s ILE 3 N -0.84 4.14 -0.14 -3.67 -4.36 -1.26 -5.08 121.20 109.99 2jrp s ILE 3 Ca 0.00 -1.90 0.02 0.00 -0.26 0.00 0.00 60.65 58.51 2jrp s ILE 3 Cb 0.00 -3.73 0.01 0.00 1.25 0.00 0.00 42.46 39.99 2jrp s ILE 3 CO 0.00 -0.78 -0.21 -0.89 0.24 0.00 0.00 174.94 173.30 2jrp s THR 4 N 1.22 2.20 -0.02 8.37 2.01 -1.26 -1.08 115.64 127.10 2jrp s THR 4 Ca 0.07 -0.93 -0.30 0.00 0.31 0.00 0.00 61.69 60.83 2jrp s THR 4 Cb -0.25 -1.89 -0.06 0.00 0.01 0.00 0.00 72.50 70.31 2jrp s THR 4 CO -0.02 0.54 1.56 0.00 -0.69 0.00 0.00 174.62 176.02 2jrp h PRO 6 N 8.68 0.83 0.00 0.00 0.13 -1.98 0.63 132.00 140.30 2jrp h PRO 6 Ca -0.39 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2jrp h PRO 6 Cb 1.18 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2jrp h PRO 6 CO 0.93 0.55 -0.10 1.55 -0.23 0.00 0.00 178.00 180.70 2jrp n VAL 7 N -4.70 0.13 -0.10 1.56 3.14 -1.26 -4.21 118.33 112.89 2jrp n VAL 7 Ca 0.22 -0.07 -0.21 0.00 -2.96 0.00 0.00 64.34 61.32 2jrp n VAL 7 Cb 0.49 -0.39 -0.07 0.00 -1.06 0.00 0.00 33.84 32.80 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 -4.06 -2.24 -1.84 0.00 -0.00 -0.17 -4.89 115.22 102.02 2jrp n HIS 9 Ca -0.38 0.90 0.05 0.00 0.46 0.00 0.00 57.72 58.75 2jrp n HIS 9 Cb 0.73 -4.21 0.08 0.00 -0.12 0.00 0.00 29.99 26.48 2jrp n HIS 9 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jrp n HIS 10 N -4.59 0.00 -3.46 1.57 8.25 -1.26 -5.06 115.22 110.67 2jrp n HIS 10 Ca -0.07 -0.70 0.07 0.00 -0.26 0.00 0.00 57.72 56.76 2jrp n HIS 10 Cb 0.58 -0.15 -0.02 0.00 1.12 0.00 0.00 29.99 31.52 2jrp n HIS 10 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jrp n ALA 11 N -0.44 -1.34 -2.48 -1.41 0.00 -1.26 -4.99 120.51 108.59 2jrp n ALA 11 Ca 0.10 0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.61 2jrp n ALA 11 Cb 0.81 -0.46 -0.08 0.00 0.00 0.00 0.00 19.45 19.72 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 1.43 -0.12 0.00 1.43 -0.24 -4.24 118.68 116.94 2jrp s LEU 12 Ca 0.00 -0.91 0.03 0.00 -1.03 0.00 0.00 54.13 52.22 2jrp s LEU 12 Cb 0.00 0.84 0.01 0.00 0.03 0.00 0.00 46.19 47.06 2jrp s LEU 12 CO 0.00 -0.78 -0.21 -0.70 0.23 0.00 0.00 176.35 174.88 2jrp s GLU 13 N -3.96 2.85 -0.39 1.70 -6.30 -1.15 -4.89 118.70 106.55 2jrp s GLU 13 Ca 0.15 -0.80 -0.29 0.00 -2.50 0.00 0.00 54.97 51.53 2jrp s GLU 13 Cb 0.05 -2.25 0.02 0.00 0.00 0.00 0.00 34.13 31.95 2jrp s GLU 13 CO -0.03 0.06 1.15 0.50 0.02 0.00 0.00 175.26 176.96 2jrp s ARG 14 N 0.64 3.87 0.23 4.30 3.52 -1.26 0.04 118.95 130.28 2jrp s ARG 14 Ca -0.12 0.86 0.26 0.00 -0.13 0.00 0.00 55.73 56.60 2jrp s ARG 14 Cb -0.16 -3.85 0.78 0.00 -1.56 0.00 0.00 34.95 30.16 2jrp s ARG 14 CO 0.03 -1.18 1.76 -0.97 -0.81 0.00 0.00 175.30 174.13 2jrp h ASN 15 N 8.89 0.00 0.00 -2.12 -0.00 -1.16 -3.48 115.58 117.71 2jrp h ASN 15 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.07 2jrp h ASN 15 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.39 2jrp h ASN 15 CO 1.08 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 179.12 2jrp n GLY 16 N 1.27 0.31 0.00 1.57 0.00 -1.26 -4.82 105.19 102.27 2jrp n GLY 16 Ca 0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 2jrp n GLY 16 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jrp n ASP 17 N 0.00 0.77 -4.51 1.61 5.75 -1.26 -4.98 116.55 113.93 2jrp n ASP 17 Ca 0.00 -0.54 -0.24 0.00 -0.01 0.00 0.00 54.79 54.00 2jrp n ASP 17 Cb 0.00 1.37 -0.11 0.00 -1.03 0.00 0.00 41.12 41.35 2jrp n ASP 17 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2jrp s THR 18 N -2.99 1.75 -0.20 2.12 -4.23 -1.26 -2.30 115.64 108.53 2jrp s THR 18 Ca 0.01 -2.08 -0.04 0.00 -1.18 0.00 0.00 61.69 58.41 2jrp s THR 18 Cb 0.13 -2.72 -0.02 0.00 1.34 0.00 0.00 72.50 71.23 2jrp s THR 18 CO 0.77 -0.13 -0.04 0.00 -0.54 0.00 0.00 174.62 174.69 2jrp s ALA 19 N -2.92 2.88 -0.25 3.99 0.00 0.48 -0.52 121.76 125.42 2jrp s ALA 19 Ca 0.33 -1.06 -0.13 0.00 0.00 0.00 0.00 51.96 51.10 2jrp s ALA 19 Cb 0.06 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 2jrp s ALA 19 CO 0.15 -0.23 0.28 -1.58 0.00 0.00 0.00 175.76 174.39 2jrp s HIS 20 N 1.14 3.29 -0.37 0.00 2.46 0.11 -0.88 115.29 121.03 2jrp s HIS 20 Ca 0.02 0.35 -0.19 0.00 0.47 0.00 0.00 55.06 55.71 2jrp s HIS 20 Cb -0.15 -2.44 0.00 0.00 -0.13 0.00 0.00 32.58 29.87 2jrp s HIS 20 CO -0.00 -0.08 0.57 0.00 -2.47 0.00 0.00 174.74 172.76 2jrp h GLU 22 N 8.54 -0.16 -6.24 0.00 4.57 -1.91 -2.99 114.58 116.39 2jrp h GLU 22 Ca -0.27 0.01 -0.56 0.00 -1.18 0.00 0.00 59.36 57.36 2jrp h GLU 22 Cb 1.11 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 2jrp h GLU 22 CO 0.81 0.12 1.23 0.95 -1.18 0.00 0.00 179.01 180.94 2jrp s THR 23 N -2.48 3.43 -0.22 0.32 -4.23 -1.26 -3.40 115.64 107.80 2jrp s THR 23 Ca -0.08 0.48 -0.09 0.00 -1.18 0.00 0.00 61.69 60.83 2jrp s THR 23 Cb -0.00 -3.45 0.03 0.00 1.34 0.00 0.00 72.50 70.42 2jrp s THR 23 CO 0.27 -0.20 0.18 0.00 -0.54 0.00 0.00 174.62 174.33 2jrp s ALA 25 N -0.93 2.28 -0.02 0.00 0.00 -1.22 -4.63 121.76 117.24 2jrp s ALA 25 Ca -0.20 -0.67 -0.18 0.00 0.00 0.00 0.00 51.96 50.91 2jrp s ALA 25 Cb 0.01 -4.28 0.03 0.00 0.00 0.00 0.00 23.12 18.89 2jrp s ALA 25 CO 0.77 -3.74 0.38 -1.59 0.00 0.00 0.00 175.76 171.57 2jrp s LYS 26 N 6.80 0.74 0.09 0.00 -2.85 -1.13 -5.00 119.74 118.39 2jrp s LYS 26 Ca 0.65 -0.09 0.07 0.00 -1.00 0.00 0.00 55.97 55.59 2jrp s LYS 26 Cb -0.13 0.33 -0.04 0.00 -2.06 0.00 0.00 37.83 35.94 2jrp s LYS 26 CO 0.21 -0.21 -0.10 0.16 0.10 0.00 0.00 175.35 175.51 2jrp s ASP 27 N -1.27 4.37 -0.11 0.03 -4.77 -1.26 -0.59 116.67 113.08 2jrp s ASP 27 Ca -0.13 -0.37 0.04 0.00 -3.30 0.00 0.00 52.55 48.79 2jrp s ASP 27 Cb -0.04 -0.84 0.00 0.00 -1.09 0.00 0.00 42.92 40.95 2jrp s ASP 27 CO 0.05 0.19 -0.23 -0.36 0.70 0.00 0.00 175.17 175.52 2jrp s PHE 28 N -1.17 2.55 -0.03 2.11 0.08 -0.06 -4.93 117.98 116.52 2jrp s PHE 28 Ca 0.20 -1.10 -0.30 0.00 0.12 0.00 0.00 56.93 55.86 2jrp s PHE 28 Cb -0.11 -1.71 -0.04 0.00 -0.57 0.00 0.00 43.02 40.59 2jrp s PHE 28 CO 0.12 -0.46 1.27 -1.12 -0.10 0.00 0.00 175.22 174.94 2jrp s SER 29 N 0.46 6.98 -0.16 1.36 0.01 -1.26 -0.39 113.70 120.70 2jrp s SER 29 Ca -0.16 1.93 -0.08 0.00 1.31 0.00 0.00 55.95 58.95 2jrp s SER 29 Cb -0.17 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.45 2jrp s SER 29 CO 0.06 -0.63 0.13 -0.76 0.41 0.00 0.00 173.24 172.46 2jrp s LEU 30 N 2.23 4.29 -0.18 2.44 1.43 -0.97 -2.41 118.68 125.50 2jrp s LEU 30 Ca 0.59 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 2jrp s LEU 30 Cb -0.27 -2.08 0.01 0.00 0.03 0.00 0.00 46.19 43.88 2jrp s LEU 30 CO 0.24 0.30 -0.18 -1.58 0.23 0.00 0.00 176.35 175.36 2jrp s GLN 31 N -0.34 3.06 -0.16 1.70 0.74 0.92 -4.90 119.66 120.69 2jrp s GLN 31 Ca 0.11 -0.80 -0.29 0.00 0.05 0.00 0.00 55.36 54.44 2jrp s GLN 31 Cb -0.12 -2.62 -0.04 0.00 1.10 0.00 0.00 33.01 31.33 2jrp s GLN 31 CO 0.01 -0.17 1.77 0.00 -0.55 0.00 0.00 175.29 176.35 2jrp s ALA 32 N 1.23 3.28 0.16 1.58 0.00 -1.26 -0.33 121.76 126.42 2jrp s ALA 32 Ca 0.03 0.72 0.08 0.00 0.00 0.00 0.00 51.96 52.79 2jrp s ALA 32 Cb -0.14 -3.87 -0.04 0.00 0.00 0.00 0.00 23.12 19.07 2jrp s ALA 32 CO -0.09 -1.95 -0.18 -1.17 0.00 0.00 0.00 175.76 172.37 2jrp s LEU 33 N 5.41 2.44 -0.17 0.00 2.96 -0.25 -4.75 118.68 124.32 2jrp s LEU 33 Ca 0.79 -0.86 -0.06 0.00 -0.22 0.00 0.00 54.13 53.78 2jrp s LEU 33 Cb -0.30 -0.81 -0.04 0.00 0.50 0.00 0.00 46.19 45.54 2jrp s LEU 33 CO 0.32 -0.04 0.03 0.00 -1.32 0.00 0.00 176.35 175.34 2jrp h PRO 35 N 6.58 1.19 0.00 0.00 0.13 -1.94 -2.13 132.00 135.84 2jrp h PRO 35 Ca -0.36 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2jrp h PRO 35 Cb 1.18 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2jrp h PRO 35 CO 0.67 0.82 -0.02 -0.40 -0.23 0.00 0.00 178.00 178.85 2jrp n ASP 36 N -4.37 0.73 -3.32 1.44 5.75 -1.26 -4.54 116.55 110.98 2jrp n ASP 36 Ca 0.10 0.55 -0.12 0.00 -0.01 0.00 0.00 54.79 55.31 2jrp n ASP 36 Cb 0.05 -0.74 -0.06 0.00 -1.03 0.00 0.00 41.12 39.34 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 4.39 3.28 -4.09 0.00 1.74 -1.16 -3.84 116.66 117.00 2jrp n ARG 38 Ca 0.10 -3.40 -0.14 0.00 -0.77 0.00 0.00 57.85 53.64 2jrp n ARG 38 Cb 0.48 -3.19 -0.05 0.00 -1.02 0.00 0.00 32.46 28.68 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 2.37 1.78 -0.35 5.56 -0.21 -1.26 -5.06 119.66 122.49 2jrp s GLN 39 Ca 0.46 -1.66 -0.30 0.00 0.02 0.00 0.00 55.36 53.88 2jrp s GLN 39 Cb 0.05 0.43 -0.08 0.00 1.00 0.00 0.00 33.01 34.41 2jrp s GLN 39 CO 0.01 -0.73 2.28 -0.35 -2.12 0.00 0.00 175.29 174.38 2jrp n PRO 40 N -0.51 1.42 -0.26 2.91 -0.04 -1.26 -4.80 135.00 132.47 2jrp n PRO 40 Ca 0.01 0.32 -0.06 0.00 -0.04 0.00 0.00 63.50 63.73 2jrp n PRO 40 Cb 0.62 -2.98 0.05 0.00 -0.04 0.00 0.00 33.50 31.15 2jrp n PRO 40 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2jrp n LEU 41 N 12.01 0.00 -4.56 1.53 4.77 -1.26 -4.90 117.00 124.59 2jrp n LEU 41 Ca 0.36 -0.24 -0.42 0.00 -0.03 0.00 0.00 56.01 55.68 2jrp n LEU 41 Cb 0.38 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 2jrp n LEU 41 CO 0.71 -1.07 1.11 -1.10 -1.33 0.00 0.00 177.39 175.72 2jrp s GLN 42 N -3.51 3.30 -0.57 3.23 -1.52 -1.26 -4.90 119.66 114.44 2jrp s GLN 42 Ca 0.14 -0.09 -0.27 0.00 -1.95 0.00 0.00 55.36 53.19 2jrp s GLN 42 Cb -0.01 -4.12 -0.02 0.00 -0.22 0.00 0.00 33.01 28.64 2jrp s GLN 42 CO 0.11 -1.95 1.78 0.08 -0.25 0.00 0.00 175.29 175.05 2jrp s VAL 43 N 5.35 3.43 -0.30 1.09 1.01 -1.26 -2.49 120.40 127.23 2jrp s VAL 43 Ca 0.37 0.30 -0.10 0.00 0.00 0.00 0.00 61.98 62.55 2jrp s VAL 43 Cb -0.08 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 2jrp s VAL 43 CO 0.19 -0.90 0.16 -0.76 0.00 0.00 0.00 175.10 173.78 2jrp s LEU 44 N 8.32 4.04 -0.13 3.92 1.43 0.59 -4.96 118.68 131.88 2jrp s LEU 44 Ca 0.66 -0.37 -0.24 0.00 -1.03 0.00 0.00 54.13 53.14 2jrp s LEU 44 Cb -0.14 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 2jrp s LEU 44 CO 0.23 -0.15 0.78 -0.54 0.23 0.00 0.00 176.35 176.90 2jrp s LYS 45 N 1.65 4.35 0.00 1.70 1.02 -1.26 -0.13 119.74 127.07 2jrp s LYS 45 Ca 0.05 0.95 0.00 0.00 0.02 0.00 0.00 55.97 57.00 2jrp s LYS 45 Cb -0.17 -3.53 0.00 0.00 -0.52 0.00 0.00 37.83 33.62 2jrp s LYS 45 CO 0.07 -0.18 0.00 0.00 -0.92 0.00 0.00 175.35 174.33 2jrp n ALA 46 N 4.66 0.00 0.05 5.17 0.00 0.54 -4.96 120.51 125.98 2jrp n ALA 46 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.34 2jrp n ALA 46 Cb 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.42 1.66 3.48 0.00 0.00 -1.26 -5.10 105.19 102.56 2jrp n GLY 48 Ca -0.05 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.71 -0.41 -0.21 4.61 0.00 -1.26 -5.15 121.76 116.64 2jrp s ALA 49 Ca 0.25 -0.65 0.02 0.00 0.00 0.00 0.00 51.96 51.58 2jrp s ALA 49 Cb 0.34 0.92 0.04 0.00 0.00 0.00 0.00 23.12 24.42 2jrp s ALA 49 CO -0.07 -0.77 -0.15 0.08 0.00 0.00 0.00 175.76 174.85 2jrp s VAL 50 N -3.95 2.04 -0.30 0.00 1.01 -1.26 -0.34 120.40 117.60 2jrp s VAL 50 Ca 0.16 -1.23 -0.14 0.00 0.00 0.00 0.00 61.98 60.77 2jrp s VAL 50 Cb 0.00 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 2jrp s VAL 50 CO 0.02 0.26 0.31 -1.81 0.00 0.00 0.00 175.10 173.88 2jrp s ASP 51 N 1.23 6.15 -0.74 3.32 1.01 0.82 -4.95 116.67 123.52 2jrp s ASP 51 Ca -0.02 -0.03 -0.21 0.00 0.71 0.00 0.00 52.55 53.01 2jrp s ASP 51 Cb -0.16 -2.18 0.09 0.00 1.01 0.00 0.00 42.92 41.68 2jrp s ASP 51 CO -0.09 -0.21 0.98 -0.31 0.21 0.00 0.00 175.17 175.75 2jrp s TYR 52 N 1.95 2.86 -0.14 4.23 2.02 -1.26 -0.30 117.35 126.70 2jrp s TYR 52 Ca 0.11 -0.88 -0.04 0.00 -0.37 0.00 0.00 57.07 55.89 2jrp s TYR 52 Cb -0.16 -4.25 0.07 0.00 -0.40 0.00 0.00 41.96 37.21 2jrp s TYR 52 CO 0.11 -1.55 0.21 0.12 -1.57 0.00 0.00 175.55 172.87 2jrp s PHE 53 N 3.43 -0.28 -0.88 2.71 5.36 -1.04 -4.80 117.98 122.49 2jrp s PHE 53 Ca 0.24 0.56 -0.25 0.00 -0.96 0.00 0.00 56.93 56.52 2jrp s PHE 53 Cb -0.14 -0.24 -0.07 0.00 -0.34 0.00 0.00 43.02 42.23 2jrp s PHE 53 CO 0.03 -0.42 2.05 0.00 -1.46 0.00 0.00 175.22 175.42 2jrp h GLN 55 N 11.61 0.41 0.00 0.00 4.15 -1.87 -1.90 115.11 127.51 2jrp h GLN 55 Ca 0.08 -0.70 0.00 0.00 0.77 0.00 0.00 58.65 58.80 2jrp h GLN 55 Cb 1.00 0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.95 2jrp h GLN 55 CO 1.16 1.32 -0.79 0.27 -1.93 0.00 0.00 178.83 178.87 2jrp n ASN 56 N -3.62 3.93 -1.31 -0.69 6.94 -1.26 -4.41 115.26 114.85 2jrp n ASN 56 Ca -0.14 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.39 2jrp n ASN 56 Cb 1.07 0.53 0.13 0.00 -2.36 0.00 0.00 39.78 39.16 2jrp n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jrp n GLY 57 N 2.29 2.58 0.00 4.83 0.00 -1.26 -4.61 105.19 109.02 2jrp n GLY 57 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 0.05 0.00 0.00 1.61 -0.00 -1.26 -5.02 115.22 110.60 2jrp n HIS 58 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.91 2jrp n HIS 58 Cb 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.82 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 0.00 4.16 3.67 1.57 0.00 -0.77 -5.04 105.19 108.78 2jrp n GLY 59 Ca 0.00 -1.40 -0.45 0.00 0.00 0.00 0.00 46.02 44.17 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 3.02 -4.88 0.99 -0.00 -0.90 -4.54 117.00 110.69 2jrp n LEU 60 Ca 0.00 1.16 -0.25 0.00 -0.00 0.00 0.00 56.01 56.91 2jrp n LEU 60 Cb 0.00 -1.42 -0.04 0.00 -0.00 0.00 0.00 43.42 41.96 2jrp n LEU 60 CO 0.00 -0.59 -0.15 -0.63 -0.00 0.00 0.00 177.39 176.03 2jrp s ILE 61 N -0.30 4.91 0.20 1.47 1.09 -1.26 -5.05 121.20 122.26 2jrp s ILE 61 Ca 0.66 -0.93 -0.32 0.00 -1.10 0.00 0.00 60.65 58.95 2jrp s ILE 61 Cb -0.65 -3.54 -0.12 0.00 -1.06 0.00 0.00 42.46 37.09 2jrp s ILE 61 CO 0.53 -0.14 1.74 -0.24 -0.10 0.00 0.00 174.94 176.73 2jrp n SER 62 N -0.60 4.02 0.22 3.58 2.88 -1.26 -4.87 113.62 117.59 2jrp n SER 62 Ca -0.08 1.05 0.15 0.00 -1.33 0.00 0.00 58.87 58.67 2jrp n SER 62 Cb 0.55 -1.57 0.65 0.00 -0.75 0.00 0.00 64.21 63.09 2jrp n SER 62 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2jrp h LYS 63 N 7.03 0.00 -0.01 -1.46 1.57 -1.98 0.20 116.57 121.92 2jrp h LYS 63 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2jrp h LYS 63 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2jrp h LYS 63 CO 0.96 0.00 -0.08 1.63 -0.57 0.00 0.00 179.45 181.39 2jrp n LYS 64 N -2.70 1.00 -0.15 3.15 5.02 -1.26 -3.42 118.16 119.80 2jrp n LYS 64 Ca 0.01 -0.39 0.05 0.00 -2.02 0.00 0.00 58.31 55.96 2jrp n LYS 64 Cb 0.24 -1.49 0.14 0.00 -0.02 0.00 0.00 35.03 33.89 2jrp n LYS 64 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2jrp n ARG 65 N -0.66 2.57 -2.57 1.97 5.12 0.70 -4.89 116.66 118.90 2jrp n ARG 65 Ca 0.17 -1.93 -0.42 0.00 -1.93 0.00 0.00 57.85 53.75 2jrp n ARG 65 Cb 0.27 -1.26 -0.03 0.00 -1.16 0.00 0.00 32.46 30.29 2jrp n ARG 65 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2jrp s VAL 66 N -0.99 3.90 -0.85 1.55 1.01 -1.16 -4.44 120.40 119.43 2jrp s VAL 66 Ca 0.22 0.71 -0.25 0.00 0.00 0.00 0.00 61.98 62.66 2jrp s VAL 66 Cb 0.12 -4.80 -0.00 0.00 0.00 0.00 0.00 36.38 31.69 2jrp s VAL 66 CO 0.15 -1.54 1.67 0.20 0.00 0.00 0.00 175.10 175.58 2jrp s ASN 67 N 3.26 5.73 -0.44 3.32 -0.87 0.23 -4.76 114.94 121.41 2jrp s ASN 67 Ca 0.40 -0.65 -0.28 0.00 -1.57 0.00 0.00 52.86 50.76 2jrp s ASN 67 Cb -0.08 -2.56 -0.00 0.00 -0.02 0.00 0.00 41.25 38.60 2jrp s ASN 67 CO 0.21 -2.16 1.57 -0.36 -2.57 0.00 0.00 177.10 173.80 2jrp s PHE 68 N 7.65 2.13 0.41 2.20 0.08 -1.26 -1.09 117.98 128.10 2jrp s PHE 68 Ca 0.56 0.63 0.08 0.00 0.12 0.00 0.00 56.93 58.32 2jrp s PHE 68 Cb -0.06 -4.26 -0.00 0.00 -0.57 0.00 0.00 43.02 38.13 2jrp s PHE 68 CO 0.04 -2.29 0.50 0.14 -0.10 0.00 0.00 175.22 173.51 2jrp s VAL 69 N 6.38 3.07 -0.37 -0.44 -7.23 0.55 -4.77 120.40 117.59 2jrp s VAL 69 Ca 0.65 -1.10 -0.13 0.00 -1.81 0.00 0.00 61.98 59.60 2jrp s VAL 69 Cb -0.15 -3.05 0.01 0.00 0.56 0.00 0.00 36.38 33.74 2jrp s VAL 69 CO 0.30 -0.03 0.24 -0.63 -0.31 0.00 0.00 175.10 174.68 2jrp s ILE 70 N -2.36 5.04 -0.36 -0.62 1.01 -1.26 -0.05 121.20 122.60 2jrp s ILE 70 Ca 0.52 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.61 2jrp s ILE 70 Cb -0.08 -3.72 0.09 0.00 0.01 0.00 0.00 42.46 38.76 2jrp s ILE 70 CO 0.31 -0.16 0.11 -0.44 0.00 0.00 0.00 174.94 174.76 2jrp s SER 71 N 1.66 5.04 0.00 3.58 0.01 -1.01 -4.90 113.70 118.08 2jrp s SER 71 Ca 0.05 -1.78 0.06 0.00 1.31 0.00 0.00 55.95 55.59 2jrp s SER 71 Cb -0.18 -1.75 -0.02 0.00 0.21 0.00 0.00 66.02 64.27 2jrp s SER 71 CO 0.09 -0.42 0.43 -0.90 0.41 0.00 0.00 173.24 172.85 2jrp n ASP 72 N 4.55 0.77 0.00 2.44 5.75 -1.26 -4.62 116.55 124.19 2jrp n ASP 72 Ca -0.05 -0.89 0.00 0.00 -0.01 0.00 0.00 54.79 53.84 2jrp n ASP 72 Cb 0.42 0.61 0.00 0.00 -1.03 0.00 0.00 41.12 41.12 2jrp n ASP 72 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jrp n GLN 73 N -0.55 0.00 0.00 0.11 3.00 -1.26 -5.03 117.38 113.65 2jrp n GLN 73 Ca 0.02 0.33 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 2jrp n GLN 73 Cb 0.12 -0.85 0.00 0.00 0.00 0.00 0.00 30.24 29.51 2jrp n GLN 73 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2jrp n LEU 74 N -1.48 0.00 -4.46 1.08 4.32 -1.26 -4.13 117.00 111.06 2jrp n LEU 74 Ca 0.00 0.00 -0.44 0.00 -0.02 0.00 0.00 56.01 55.55 2jrp n LEU 74 Cb 0.00 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.78 2jrp n LEU 74 CO 0.00 -0.77 1.14 -1.61 -1.22 0.00 0.00 177.39 174.93 2jrp s GLU 75 N 0.00 3.75 -0.25 3.23 8.01 -1.26 -4.63 118.70 127.55 2jrp s GLU 75 Ca 0.00 -1.99 0.02 0.00 0.01 0.00 0.00 54.97 53.01 2jrp s GLU 75 Cb 0.00 -4.99 -0.16 0.00 -4.31 0.00 0.00 34.13 24.67 2jrp s GLU 75 CO 0.00 -1.80 -0.22 0.72 0.01 0.00 0.00 175.26 173.98 2jrp n HIS 76 N 6.40 0.00 -2.67 1.61 8.25 -1.26 -4.85 115.22 122.70 2jrp n HIS 76 Ca 0.29 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.70 2jrp n HIS 76 Cb 0.47 -0.95 0.03 0.00 1.12 0.00 0.00 29.99 30.66 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 -3.22 -1.13 -0.84 4.41 -0.00 -1.26 -5.13 115.22 108.05 2jrp n HIS 77 Ca -0.44 -1.14 0.11 0.00 0.46 0.00 0.00 57.72 56.72 2jrp n HIS 77 Cb 0.97 1.32 -0.03 0.00 -0.12 0.00 0.00 29.99 32.13 2jrp n HIS 77 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jrp n HIS 78 N -0.55 -2.10 -3.20 1.57 -0.00 -1.26 -4.61 115.22 105.06 2jrp n HIS 78 Ca -0.18 1.04 -0.46 0.00 -0.00 0.00 0.00 57.72 58.12 2jrp n HIS 78 Cb 0.72 -1.90 -0.03 0.00 -0.00 0.00 0.00 29.99 28.78 2jrp n HIS 78 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jrp s HIS 79 N -1.73 3.47 -0.16 4.41 3.76 -1.26 -4.88 115.29 118.90 2jrp s HIS 79 Ca 0.00 -1.66 -0.25 0.00 -0.15 0.00 0.00 55.06 53.00 2jrp s HIS 79 Cb 0.00 -3.95 -0.02 0.00 1.11 0.00 0.00 32.58 29.72 2jrp s HIS 79 CO 0.00 -1.15 0.80 -1.58 -0.85 0.00 0.00 174.74 171.96 2jrp s HIS 80 N 1.20 3.43 -2.81 1.40 2.46 -1.26 -5.21 115.29 114.50 2jrp s HIS 80 Ca 0.19 1.22 0.25 0.00 0.47 0.00 0.00 55.06 57.20 2jrp s HIS 80 Cb -0.12 -2.97 0.51 0.00 -0.13 0.00 0.00 32.58 29.87 2jrp s HIS 80 CO -0.06 -0.20 1.44 1.58 -2.47 0.00 0.00 174.74 175.03