#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 3.18 -0.07 0.03 0.41 -1.26 -5.08 118.70 115.91 2jrp s GLU 2 Ca 0.00 -0.75 -0.30 0.00 -0.41 0.00 0.00 54.97 53.51 2jrp s GLU 2 Cb 0.00 -2.80 -0.03 0.00 -1.78 0.00 0.00 34.13 29.52 2jrp s GLU 2 CO 0.00 0.49 1.13 0.96 -0.49 0.00 0.00 175.26 177.35 2jrp s ILE 3 N -1.78 4.44 -0.18 -1.63 -4.36 -1.26 -5.01 121.20 111.43 2jrp s ILE 3 Ca 0.33 1.75 -0.21 0.00 -0.26 0.00 0.00 60.65 62.26 2jrp s ILE 3 Cb -0.10 -4.12 0.05 0.00 1.25 0.00 0.00 42.46 39.54 2jrp s ILE 3 CO 0.26 0.01 0.56 0.28 0.24 0.00 0.00 174.94 176.28 2jrp s THR 4 N 2.10 0.00 0.13 8.37 -1.32 -1.26 -0.57 115.64 123.08 2jrp s THR 4 Ca 0.53 -0.04 -0.31 0.00 -1.21 0.00 0.00 61.69 60.67 2jrp s THR 4 Cb -0.22 -0.80 -0.10 0.00 -1.51 0.00 0.00 72.50 69.86 2jrp s THR 4 CO 0.21 -0.02 1.81 0.00 -2.21 0.00 0.00 174.62 174.41 2jrp h PRO 6 N 8.45 -1.23 0.00 0.00 0.13 -1.98 -1.28 132.00 136.09 2jrp h PRO 6 Ca -0.46 0.08 -0.04 0.00 -0.87 0.00 0.00 66.00 64.72 2jrp h PRO 6 Cb 1.22 0.28 -0.01 0.00 0.13 0.00 0.00 31.00 32.62 2jrp h PRO 6 CO 0.95 -0.82 -0.19 -0.39 -0.23 0.00 0.00 178.00 177.32 2jrp h VAL 7 N -1.32 0.48 -2.06 1.56 -1.51 -2.04 -3.06 116.25 108.31 2jrp h VAL 7 Ca -0.13 -1.01 -0.63 0.00 -1.23 0.00 0.00 66.70 63.70 2jrp h VAL 7 Cb 0.98 1.71 -0.39 0.00 -2.13 0.00 0.00 31.29 31.45 2jrp h VAL 7 CO 0.21 0.18 -0.34 0.00 -1.23 0.00 0.00 177.57 176.40 2jrp n HIS 9 N -0.31 2.37 0.01 0.00 -0.00 -0.49 -4.38 115.22 112.43 2jrp n HIS 9 Ca 0.37 0.17 0.00 0.00 0.46 0.00 0.00 57.72 58.71 2jrp n HIS 9 Cb 0.44 -2.59 0.00 0.00 -0.12 0.00 0.00 29.99 27.71 2jrp n HIS 9 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jrp n HIS 10 N 4.11 -2.46 -3.88 1.57 -0.00 -1.26 -5.01 115.22 108.29 2jrp n HIS 10 Ca 0.18 0.09 0.01 0.00 -0.00 0.00 0.00 57.72 57.99 2jrp n HIS 10 Cb 0.30 0.65 0.01 0.00 -0.00 0.00 0.00 29.99 30.95 2jrp n HIS 10 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2jrp n ALA 11 N -2.93 -1.69 -3.06 1.57 0.00 -1.26 -4.95 120.51 108.19 2jrp n ALA 11 Ca 0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 53.44 52.91 2jrp n ALA 11 Cb 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 19.45 19.45 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 1.49 -0.42 0.00 1.43 0.26 -2.98 118.68 118.46 2jrp s LEU 12 Ca 0.14 0.10 -0.09 0.00 -1.03 0.00 0.00 54.13 53.26 2jrp s LEU 12 Cb -0.01 0.57 0.08 0.00 0.03 0.00 0.00 46.19 46.86 2jrp s LEU 12 CO 0.00 -0.17 0.26 -0.70 0.23 0.00 0.00 176.35 175.97 2jrp s GLU 13 N -0.48 2.56 -0.37 1.70 2.12 -0.61 -4.86 118.70 118.75 2jrp s GLU 13 Ca -0.06 -1.50 -0.29 0.00 0.36 0.00 0.00 54.97 53.48 2jrp s GLU 13 Cb -0.04 -3.77 0.02 0.00 0.26 0.00 0.00 34.13 30.60 2jrp s GLU 13 CO 0.01 -0.97 1.09 -0.98 -0.54 0.00 0.00 175.26 173.87 2jrp s ARG 14 N 1.40 3.95 0.00 4.30 1.70 -1.26 -0.71 118.95 128.33 2jrp s ARG 14 Ca 0.03 0.89 0.27 0.00 -0.47 0.00 0.00 55.73 56.46 2jrp s ARG 14 Cb -0.23 -3.80 0.93 0.00 -0.57 0.00 0.00 34.95 31.28 2jrp s ARG 14 CO 0.01 -1.07 1.67 0.09 -1.08 0.00 0.00 175.30 174.93 2jrp n ASN 15 N 7.20 1.37 0.00 -2.89 5.03 0.15 -4.95 115.26 121.17 2jrp n ASN 15 Ca 0.12 -1.30 0.00 0.00 0.87 0.00 0.00 54.58 54.27 2jrp n ASN 15 Cb 0.48 0.05 0.00 0.00 -1.02 0.00 0.00 39.78 39.29 2jrp n ASN 15 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jrp n GLY 16 N 1.24 2.83 0.11 7.41 0.00 -1.26 -4.65 105.19 110.86 2jrp n GLY 16 Ca 0.16 -0.71 -0.16 0.00 0.00 0.00 0.00 46.02 45.32 2jrp n GLY 16 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2jrp h ASP 17 N 0.00 0.33 -5.39 1.61 2.03 -1.92 -3.47 116.42 109.60 2jrp h ASP 17 Ca 0.00 -0.49 -0.19 0.00 -0.73 0.00 0.00 57.03 55.62 2jrp h ASP 17 Cb 0.00 -0.11 -0.15 0.00 -0.83 0.00 0.00 39.33 38.24 2jrp h ASP 17 CO 0.00 1.42 -0.65 0.42 -1.03 0.00 0.00 179.24 179.40 2jrp s THR 18 N -2.61 0.12 -0.32 1.15 -4.23 -1.26 -2.77 115.64 105.71 2jrp s THR 18 Ca -0.09 -1.92 -0.05 0.00 -1.18 0.00 0.00 61.69 58.44 2jrp s THR 18 Cb 0.07 -2.07 0.04 0.00 1.34 0.00 0.00 72.50 71.88 2jrp s THR 18 CO 0.84 -0.44 0.07 0.00 -0.54 0.00 0.00 174.62 174.55 2jrp s ALA 19 N -4.04 2.99 -0.08 3.99 0.00 0.79 -0.67 121.76 124.73 2jrp s ALA 19 Ca 0.25 -1.69 -0.16 0.00 0.00 0.00 0.00 51.96 50.36 2jrp s ALA 19 Cb 0.07 -2.16 -0.05 0.00 0.00 0.00 0.00 23.12 20.98 2jrp s ALA 19 CO 0.02 -1.24 0.40 -1.58 0.00 0.00 0.00 175.76 173.36 2jrp s HIS 20 N 1.38 3.58 0.45 0.00 5.04 0.12 -0.20 115.29 125.66 2jrp s HIS 20 Ca -0.02 0.85 -0.20 0.00 -1.54 0.00 0.00 55.06 54.15 2jrp s HIS 20 Cb -0.19 -2.39 -0.10 0.00 0.04 0.00 0.00 32.58 29.94 2jrp s HIS 20 CO 0.02 0.37 0.97 0.00 -2.34 0.00 0.00 174.74 173.76 2jrp n GLU 22 N -0.83 0.00 -0.05 0.00 4.71 -1.26 -4.42 120.64 118.79 2jrp n GLU 22 Ca 0.07 0.38 0.09 0.00 -0.01 0.00 0.00 57.16 57.69 2jrp n GLU 22 Cb 0.54 -0.91 0.11 0.00 -1.01 0.00 0.00 31.44 30.16 2jrp n GLU 22 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 2jrp n THR 23 N -1.64 0.19 -4.72 2.62 5.66 -1.26 -4.89 114.28 110.25 2jrp n THR 23 Ca 0.00 -0.60 -0.33 0.00 -3.05 0.00 0.00 64.05 60.07 2jrp n THR 23 Cb 0.00 1.20 -0.12 0.00 -1.55 0.00 0.00 70.33 69.86 2jrp n THR 23 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jrp n ALA 25 N 2.50 4.34 -2.84 0.00 0.00 -1.26 -4.33 120.51 118.91 2jrp n ALA 25 Ca -0.18 -3.85 -0.13 0.00 0.00 0.00 0.00 53.44 49.29 2jrp n ALA 25 Cb 0.53 -3.58 -0.14 0.00 0.00 0.00 0.00 19.45 16.26 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 3.85 0.19 -0.08 0.00 1.02 -1.26 -5.04 119.74 118.41 2jrp s LYS 26 Ca 0.51 -0.15 -0.01 0.00 0.02 0.00 0.00 55.97 56.35 2jrp s LYS 26 Cb 0.08 -0.14 0.03 0.00 -0.52 0.00 0.00 37.83 37.28 2jrp s LYS 26 CO 0.01 0.04 -0.03 -0.51 -0.92 0.00 0.00 175.35 173.94 2jrp s ASP 27 N -0.23 1.73 -0.10 2.83 1.11 -1.26 -0.20 116.67 120.55 2jrp s ASP 27 Ca -0.01 -0.16 -0.09 0.00 0.18 0.00 0.00 52.55 52.47 2jrp s ASP 27 Cb -0.02 -0.58 -0.04 0.00 1.07 0.00 0.00 42.92 43.35 2jrp s ASP 27 CO -0.00 -0.16 0.19 -0.36 1.18 0.00 0.00 175.17 176.02 2jrp s PHE 28 N 1.79 3.61 -0.10 4.23 0.08 0.72 -4.90 117.98 123.41 2jrp s PHE 28 Ca 0.04 0.60 -0.30 0.00 0.12 0.00 0.00 56.93 57.39 2jrp s PHE 28 Cb -0.13 -2.02 -0.02 0.00 -0.57 0.00 0.00 43.02 40.29 2jrp s PHE 28 CO -0.06 0.70 1.06 -1.12 -0.10 0.00 0.00 175.22 175.70 2jrp s SER 29 N -0.95 7.18 -0.18 1.36 0.01 -1.26 -0.15 113.70 119.70 2jrp s SER 29 Ca 0.16 1.60 -0.09 0.00 1.31 0.00 0.00 55.95 58.93 2jrp s SER 29 Cb -0.13 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.50 2jrp s SER 29 CO 0.05 -0.50 0.13 -0.76 0.41 0.00 0.00 173.24 172.57 2jrp s LEU 30 N 2.15 4.24 -0.16 2.44 1.43 -1.12 -3.17 118.68 124.50 2jrp s LEU 30 Ca 0.50 0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 53.86 2jrp s LEU 30 Cb -0.20 -2.08 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 2jrp s LEU 30 CO 0.18 0.23 -0.08 -1.58 0.23 0.00 0.00 176.35 175.33 2jrp s GLN 31 N 0.07 3.48 -0.59 1.70 0.74 0.41 -4.84 119.66 120.63 2jrp s GLN 31 Ca 0.09 -0.62 -0.26 0.00 0.05 0.00 0.00 55.36 54.63 2jrp s GLN 31 Cb -0.11 -2.80 -0.05 0.00 1.10 0.00 0.00 33.01 31.15 2jrp s GLN 31 CO -0.01 0.15 2.11 0.00 -0.55 0.00 0.00 175.29 176.99 2jrp s ALA 32 N 0.57 1.85 0.11 1.58 0.00 -1.26 -1.00 121.76 123.61 2jrp s ALA 32 Ca -0.05 -0.45 -0.01 0.00 0.00 0.00 0.00 51.96 51.45 2jrp s ALA 32 Cb -0.15 -4.35 -0.04 0.00 0.00 0.00 0.00 23.12 18.58 2jrp s ALA 32 CO 0.03 -4.28 0.28 -1.17 0.00 0.00 0.00 175.76 170.61 2jrp s LEU 33 N 10.66 4.32 -0.44 0.00 1.98 -0.58 -4.69 118.68 129.93 2jrp s LEU 33 Ca 0.80 0.33 -0.18 0.00 -2.89 0.00 0.00 54.13 52.19 2jrp s LEU 33 Cb -0.14 -3.04 0.03 0.00 0.66 0.00 0.00 46.19 43.70 2jrp s LEU 33 CO 0.21 0.10 0.48 0.00 -1.89 0.00 0.00 176.35 175.25 2jrp h PRO 35 N 8.78 0.06 0.27 0.00 0.13 -1.92 -2.19 132.00 137.14 2jrp h PRO 35 Ca -0.27 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.86 2jrp h PRO 35 Cb 1.11 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 2jrp h PRO 35 CO 0.83 0.09 -0.41 0.22 -0.23 0.00 0.00 178.00 178.51 2jrp h ASP 36 N 0.02 -1.14 -3.71 1.44 1.82 -1.95 -3.10 116.42 109.79 2jrp h ASP 36 Ca 0.02 0.11 -0.75 0.00 -0.39 0.00 0.00 57.03 56.02 2jrp h ASP 36 Cb 0.04 0.41 -0.31 0.00 0.68 0.00 0.00 39.33 40.15 2jrp h ASP 36 CO -0.00 -0.52 0.03 0.00 -1.61 0.00 0.00 179.24 177.14 2jrp s ARG 38 N -0.64 3.00 -0.02 0.00 3.52 -0.83 -4.49 118.95 119.48 2jrp s ARG 38 Ca 0.23 -0.55 -0.30 0.00 -0.13 0.00 0.00 55.73 54.98 2jrp s ARG 38 Cb -0.11 -5.09 0.11 0.00 -1.56 0.00 0.00 34.95 28.30 2jrp s ARG 38 CO -0.08 -2.82 1.12 1.14 -0.81 0.00 0.00 175.30 173.85 2jrp s GLN 39 N 6.16 0.63 0.49 5.12 1.03 -1.26 -5.04 119.66 126.79 2jrp s GLN 39 Ca 0.59 -0.30 -0.19 0.00 0.04 0.00 0.00 55.36 55.50 2jrp s GLN 39 Cb -0.05 0.24 -0.14 0.00 0.03 0.00 0.00 33.01 33.10 2jrp s GLN 39 CO -0.02 -0.28 0.08 -2.30 -2.54 0.00 0.00 175.29 170.22 2jrp n PRO 40 N -0.33 0.13 -2.07 9.60 -0.02 -1.26 -4.40 135.00 136.64 2jrp n PRO 40 Ca -0.06 0.05 -0.05 0.00 -2.02 0.00 0.00 63.50 61.42 2jrp n PRO 40 Cb 0.61 -1.16 -0.00 0.00 -0.02 0.00 0.00 33.50 32.92 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 2.02 0.00 -4.71 2.45 4.32 -1.26 -4.98 117.00 114.83 2jrp n LEU 41 Ca 0.09 -0.55 -0.40 0.00 -0.02 0.00 0.00 56.01 55.13 2jrp n LEU 41 Cb 0.46 0.01 -0.04 0.00 -1.62 0.00 0.00 43.42 42.22 2jrp n LEU 41 CO 0.54 -0.26 0.49 -1.58 -1.22 0.00 0.00 177.39 175.36 2jrp s GLN 42 N -2.40 4.45 -0.63 3.23 2.00 -1.24 -4.83 119.66 120.24 2jrp s GLN 42 Ca 0.04 1.02 -0.28 0.00 -2.00 0.00 0.00 55.36 54.15 2jrp s GLN 42 Cb -0.00 -3.47 0.03 0.00 0.80 0.00 0.00 33.01 30.37 2jrp s GLN 42 CO 0.03 -0.02 1.27 0.08 -0.50 0.00 0.00 175.29 176.15 2jrp s VAL 43 N 1.03 3.88 -0.15 1.34 1.01 -1.26 -1.50 120.40 124.75 2jrp s VAL 43 Ca 0.41 0.70 -0.15 0.00 0.00 0.00 0.00 61.98 62.95 2jrp s VAL 43 Cb -0.18 -4.73 -0.05 0.00 0.00 0.00 0.00 36.38 31.42 2jrp s VAL 43 CO 0.20 -1.48 0.33 -0.76 0.00 0.00 0.00 175.10 173.39 2jrp s LEU 44 N 5.44 4.26 -0.23 3.92 1.43 0.67 -4.97 118.68 129.21 2jrp s LEU 44 Ca 0.42 0.58 -0.10 0.00 -1.03 0.00 0.00 54.13 54.01 2jrp s LEU 44 Cb -0.08 -2.44 -0.05 0.00 0.03 0.00 0.00 46.19 43.65 2jrp s LEU 44 CO 0.22 0.09 0.14 -0.54 0.23 0.00 0.00 176.35 176.49 2jrp s LYS 45 N 0.41 4.05 0.41 1.70 1.02 -1.26 -0.83 119.74 125.24 2jrp s LYS 45 Ca 0.19 -0.29 0.07 0.00 0.02 0.00 0.00 55.97 55.96 2jrp s LYS 45 Cb -0.13 -3.47 -0.06 0.00 -0.52 0.00 0.00 37.83 33.65 2jrp s LYS 45 CO 0.05 0.10 0.12 0.00 -0.92 0.00 0.00 175.35 174.71 2jrp s ALA 46 N 0.92 3.45 0.19 5.17 0.00 0.28 -5.00 121.76 126.76 2jrp s ALA 46 Ca 0.07 -2.17 -0.12 0.00 0.00 0.00 0.00 51.96 49.74 2jrp s ALA 46 Cb -0.13 -0.19 0.17 0.00 0.00 0.00 0.00 23.12 22.98 2jrp s ALA 46 CO 0.03 -0.15 1.79 0.00 0.00 0.00 0.00 175.76 177.43 2jrp n GLY 48 N -1.26 3.00 3.42 0.00 0.00 -1.26 -5.07 105.19 104.02 2jrp n GLY 48 Ca 0.06 -1.09 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.59 -1.47 -0.26 4.61 0.00 -1.22 -5.13 121.76 116.69 2jrp s ALA 49 Ca 0.36 0.64 -0.00 0.00 0.00 0.00 0.00 51.96 52.96 2jrp s ALA 49 Cb 0.38 0.51 0.08 0.00 0.00 0.00 0.00 23.12 24.09 2jrp s ALA 49 CO -0.12 -0.58 0.02 0.08 0.00 0.00 0.00 175.76 175.16 2jrp s VAL 50 N -2.77 1.14 -0.10 0.00 1.01 -1.26 -0.56 120.40 117.85 2jrp s VAL 50 Ca -0.04 -1.20 -0.09 0.00 0.00 0.00 0.00 61.98 60.65 2jrp s VAL 50 Cb -0.00 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 2jrp s VAL 50 CO -0.04 -0.35 0.20 -1.81 0.00 0.00 0.00 175.10 173.10 2jrp s ASP 51 N 1.54 6.48 -0.45 3.32 1.01 -0.01 -4.92 116.67 123.63 2jrp s ASP 51 Ca 0.02 0.57 -0.18 0.00 0.71 0.00 0.00 52.55 53.67 2jrp s ASP 51 Cb -0.18 -2.11 0.04 0.00 1.01 0.00 0.00 42.92 41.68 2jrp s ASP 51 CO -0.13 0.37 0.49 -0.31 0.21 0.00 0.00 175.17 175.81 2jrp s TYR 52 N -0.94 3.14 -0.26 4.23 2.02 -1.26 -0.24 117.35 124.05 2jrp s TYR 52 Ca 0.17 -0.47 -0.01 0.00 -0.37 0.00 0.00 57.07 56.38 2jrp s TYR 52 Cb -0.13 -3.12 0.14 0.00 -0.40 0.00 0.00 41.96 38.45 2jrp s TYR 52 CO 0.06 -0.81 0.38 0.12 -1.57 0.00 0.00 175.55 173.73 2jrp s PHE 53 N 2.23 -0.85 -1.07 2.71 2.19 -0.56 -4.84 117.98 117.79 2jrp s PHE 53 Ca 0.12 0.57 -0.22 0.00 0.33 0.00 0.00 56.93 57.73 2jrp s PHE 53 Cb -0.18 -0.08 0.05 0.00 -1.31 0.00 0.00 43.02 41.50 2jrp s PHE 53 CO 0.13 -0.82 1.50 0.00 1.83 0.00 0.00 175.22 177.85 2jrp h GLN 55 N 9.41 -0.01 -5.63 0.00 1.08 -1.90 -1.18 115.11 116.87 2jrp h GLN 55 Ca 0.24 0.00 -0.63 0.00 -1.45 0.00 0.00 58.65 56.81 2jrp h GLN 55 Cb 0.99 0.00 -0.13 0.00 -0.05 0.00 0.00 27.48 28.29 2jrp h GLN 55 CO 1.43 -0.01 0.26 1.21 -0.95 0.00 0.00 178.83 180.78 2jrp s ASN 56 N -3.25 6.41 0.00 1.46 2.47 -1.26 -3.55 114.94 117.21 2jrp s ASN 56 Ca -0.00 -0.06 0.00 0.00 0.42 0.00 0.00 52.86 53.22 2jrp s ASN 56 Cb 0.00 -2.36 0.00 0.00 -1.45 0.00 0.00 41.25 37.44 2jrp s ASN 56 CO 0.01 -0.80 0.00 0.61 -3.72 0.00 0.00 177.10 173.20 2jrp n GLY 57 N 4.88 3.71 0.87 1.21 0.00 -1.26 -4.89 105.19 109.71 2jrp n GLY 57 Ca 0.01 -0.67 -0.02 0.00 0.00 0.00 0.00 46.02 45.33 2jrp n GLY 57 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jrp n HIS 58 N 0.00 0.00 0.00 1.61 8.25 -1.26 -5.13 115.22 118.69 2jrp n HIS 58 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2jrp n HIS 58 Cb 0.00 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.00 2jrp n HIS 58 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jrp n GLY 59 N 3.05 -1.57 0.00 -1.41 0.00 -0.46 -5.05 105.19 99.75 2jrp n GLY 59 Ca -0.04 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 0.00 -4.68 0.99 -0.00 -1.14 -3.72 117.00 108.45 2jrp n LEU 60 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.61 2jrp n LEU 60 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.36 2jrp n LEU 60 CO 0.00 0.00 0.37 -0.63 -0.00 0.00 0.00 177.39 177.13 2jrp s ILE 61 N 0.00 5.04 0.17 1.47 -1.09 -1.26 -5.01 121.20 120.52 2jrp s ILE 61 Ca 0.00 1.24 -0.33 0.00 -2.23 0.00 0.00 60.65 59.32 2jrp s ILE 61 Cb 0.00 -3.96 -0.15 0.00 -1.58 0.00 0.00 42.46 36.77 2jrp s ILE 61 CO 0.00 0.16 1.35 -0.24 -1.23 0.00 0.00 174.94 174.97 2jrp n SER 62 N 4.66 2.12 0.12 3.58 2.88 -1.26 -4.76 113.62 120.96 2jrp n SER 62 Ca -0.02 1.13 0.10 0.00 -1.33 0.00 0.00 58.87 58.75 2jrp n SER 62 Cb 0.50 -1.31 0.46 0.00 -0.75 0.00 0.00 64.21 63.12 2jrp n SER 62 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2jrp n LYS 63 N 2.31 0.13 0.07 -1.46 2.85 -1.26 -0.05 118.16 120.75 2jrp n LYS 63 Ca 0.15 0.52 0.12 0.00 -1.05 0.00 0.00 58.31 58.06 2jrp n LYS 63 Cb 0.26 -1.84 0.22 0.00 -0.65 0.00 0.00 35.03 33.02 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 0.00 -0.00 -1.58 1.57 -2.04 -3.32 116.57 111.20 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 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2jrp h LYS 64 CO 0.00 0.00 -0.30 -2.13 -0.57 0.00 0.00 179.45 176.45 2jrp n ARG 65 N -2.17 2.77 -1.73 3.15 0.63 0.92 -4.95 116.66 115.28 2jrp n ARG 65 Ca 0.04 -0.37 -0.42 0.00 -0.92 0.00 0.00 57.85 56.18 2jrp n ARG 65 Cb 0.44 -1.03 -0.03 0.00 0.45 0.00 0.00 32.46 32.29 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 -1.58 3.12 -0.62 5.15 1.01 -0.64 -4.70 120.40 122.14 2jrp s VAL 66 Ca 0.07 0.14 -0.20 0.00 0.00 0.00 0.00 61.98 61.99 2jrp s VAL 66 Cb 0.08 -3.10 0.10 0.00 0.00 0.00 0.00 36.38 33.46 2jrp s VAL 66 CO 0.31 -0.02 0.79 0.21 0.00 0.00 0.00 175.10 176.40 2jrp s ASN 67 N 4.49 6.19 -0.58 3.32 2.47 -0.75 -4.85 114.94 125.25 2jrp s ASN 67 Ca 0.87 -1.32 -0.27 0.00 0.42 0.00 0.00 52.86 52.55 2jrp s ASN 67 Cb -0.40 -2.34 -0.00 0.00 -1.45 0.00 0.00 41.25 37.06 2jrp s ASN 67 CO 0.39 -1.21 1.61 -0.36 -3.72 0.00 0.00 177.10 173.81 2jrp s PHE 68 N 3.09 2.00 0.09 0.43 0.08 -1.26 -1.53 117.98 120.88 2jrp s PHE 68 Ca 0.15 0.54 0.09 0.00 0.12 0.00 0.00 56.93 57.83 2jrp s PHE 68 Cb -0.21 -4.28 -0.04 0.00 -0.57 0.00 0.00 43.02 37.92 2jrp s PHE 68 CO 0.07 -2.22 -0.20 0.54 -0.10 0.00 0.00 175.22 173.31 2jrp s VAL 69 N 7.24 2.66 0.12 -0.44 0.11 -0.17 -4.72 120.40 125.19 2jrp s VAL 69 Ca 0.59 -1.43 -0.31 0.00 -2.93 0.00 0.00 61.98 57.89 2jrp s VAL 69 Cb -0.12 -2.17 -0.09 0.00 -1.53 0.00 0.00 36.38 32.47 2jrp s VAL 69 CO 0.23 0.20 1.59 -0.63 -3.33 0.00 0.00 175.10 173.16 2jrp s ILE 70 N -1.03 2.86 0.36 7.04 1.01 -1.26 -0.44 121.20 129.75 2jrp s ILE 70 Ca 0.16 0.51 0.08 0.00 0.00 0.00 0.00 60.65 61.39 2jrp s ILE 70 Cb -0.10 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 2jrp s ILE 70 CO 0.07 0.02 0.19 -0.44 0.00 0.00 0.00 174.94 174.79 2jrp s SER 71 N 1.71 4.74 -0.43 3.58 0.01 -1.19 -4.93 113.70 117.18 2jrp s SER 71 Ca 0.71 -0.80 -0.28 0.00 1.31 0.00 0.00 55.95 56.90 2jrp s SER 71 Cb -0.41 -0.69 -0.02 0.00 0.21 0.00 0.00 66.02 65.11 2jrp s SER 71 CO 0.31 -0.39 1.85 -1.81 0.41 0.00 0.00 173.24 173.61 2jrp s ASP 72 N -3.91 5.61 -0.00 2.44 1.01 -1.26 -4.74 116.67 115.82 2jrp s ASP 72 Ca 0.40 0.98 0.02 0.00 0.71 0.00 0.00 52.55 54.66 2jrp s ASP 72 Cb -0.02 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 2jrp s ASP 72 CO 0.24 -1.99 0.04 0.00 0.21 0.00 0.00 175.17 173.67 2jrp n GLN 73 N 8.70 0.32 -2.87 8.23 1.13 -1.26 -4.89 117.38 126.75 2jrp n GLN 73 Ca 0.23 -0.02 -0.42 0.00 -1.94 0.00 0.00 57.00 54.85 2jrp n GLN 73 Cb 0.49 -1.05 -0.04 0.00 0.11 0.00 0.00 30.24 29.75 2jrp n GLN 73 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2jrp s LEU 74 N -3.22 4.12 0.00 1.08 2.96 -1.26 -4.29 118.68 118.07 2jrp s LEU 74 Ca -0.01 1.13 0.00 0.00 -0.22 0.00 0.00 54.13 55.03 2jrp s LEU 74 Cb 0.01 -3.25 0.00 0.00 0.50 0.00 0.00 46.19 43.46 2jrp s LEU 74 CO 0.09 -0.48 0.00 -0.62 -1.32 0.00 0.00 176.35 174.01 2jrp n GLU 75 N 5.71 0.00 0.00 1.98 -0.58 -1.26 -4.69 120.64 121.80 2jrp n GLU 75 Ca 0.06 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.80 2jrp n GLU 75 Cb 0.48 -2.77 0.03 0.00 -0.57 0.00 0.00 31.44 28.61 2jrp n GLU 75 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2jrp n HIS 76 N -1.43 0.00 1.19 -0.32 8.25 -1.26 -1.50 115.22 120.14 2jrp n HIS 76 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.59 2jrp n HIS 76 Cb 0.00 0.00 0.48 0.00 1.12 0.00 0.00 29.99 31.59 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 -0.52 0.00 -2.91 4.41 -0.00 -1.26 -4.81 115.22 110.13 2jrp n HIS 77 Ca 0.01 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.39 2jrp n HIS 77 Cb 0.00 -0.26 -0.07 0.00 -0.00 0.00 0.00 29.99 29.67 2jrp n HIS 77 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jrp s HIS 78 N -2.74 3.45 -0.18 1.57 3.76 -0.56 -5.07 115.29 115.51 2jrp s HIS 78 Ca 0.20 1.54 -0.10 0.00 -0.15 0.00 0.00 55.06 56.55 2jrp s HIS 78 Cb 0.19 -2.77 0.06 0.00 1.11 0.00 0.00 32.58 31.17 2jrp s HIS 78 CO 0.56 0.06 0.44 -3.38 -0.85 0.00 0.00 174.74 171.56 2jrp s HIS 79 N -1.94 -0.66 0.00 1.40 -3.43 -1.26 -4.98 115.29 104.42 2jrp s HIS 79 Ca 0.55 1.39 0.00 0.00 -0.80 0.00 0.00 55.06 56.20 2jrp s HIS 79 Cb -0.12 0.31 0.00 0.00 -1.43 0.00 0.00 32.58 31.33 2jrp s HIS 79 CO 0.17 -0.37 0.00 1.58 -2.00 0.00 0.00 174.74 174.12 2jrp n HIS 80 N 4.34 0.00 -0.10 0.38 -0.00 -1.26 -5.27 115.22 113.31 2jrp n HIS 80 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.50 2jrp n HIS 80 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.54 2jrp n HIS 80 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95