#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jop s ILE 2 N 0.00 4.51 -0.11 1.12 1.01 -0.64 -4.95 121.20 122.14 1jop s ILE 2 Ca 0.00 -0.11 0.03 0.00 0.00 0.00 0.00 60.65 60.57 1jop s ILE 2 Cb 0.00 -3.08 0.01 0.00 0.01 0.00 0.00 42.46 39.39 1jop s ILE 2 CO 0.00 0.38 -0.22 -0.63 0.00 0.00 0.00 174.94 174.47 1jop s ILE 3 N 1.17 1.95 0.17 2.92 1.01 -1.26 -0.62 121.20 126.54 1jop s ILE 3 Ca 0.05 -0.94 -0.17 0.00 0.00 0.00 0.00 60.65 59.59 1jop s ILE 3 Cb -0.14 -1.71 0.06 0.00 0.01 0.00 0.00 42.46 40.68 1jop s ILE 3 CO 0.03 0.53 0.83 -0.24 0.00 0.00 0.00 174.94 176.10 1jop n SER 4 N 3.80 -1.47 -3.69 3.58 2.88 -0.76 -5.01 113.62 112.96 1jop n SER 4 Ca -0.20 -1.80 -0.22 0.00 -1.33 0.00 0.00 58.87 55.32 1jop n SER 4 Cb 0.52 2.40 -0.18 0.00 -0.75 0.00 0.00 64.21 66.20 1jop n SER 4 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1jop s SER 5 N -2.98 1.61 0.00 -3.46 0.15 -1.26 -0.08 113.70 107.68 1jop s SER 5 Ca 0.18 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.67 1jop s SER 5 Cb -0.02 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.02 1jop s SER 5 CO 0.05 -0.26 0.67 0.18 1.20 0.00 0.00 173.24 175.08 1jop n LEU 6 N 5.24 1.98 0.00 3.45 4.77 0.42 0.44 117.00 133.29 1jop n LEU 6 Ca -0.05 -0.99 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 1jop n LEU 6 Cb 0.50 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1jop n LEU 6 CO 0.08 0.33 0.00 0.41 -1.33 0.00 0.00 177.39 176.89 1jop n THR 7 N 0.60 0.00 -4.49 -5.08 -1.04 -1.26 -5.03 114.28 97.99 1jop n THR 7 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 1jop n THR 7 Cb 0.33 0.75 -0.12 0.00 -1.82 0.00 0.00 70.33 69.48 1jop n THR 7 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1jop s ASN 8 N 0.00 4.76 0.22 8.00 2.20 0.17 -4.97 114.94 125.32 1jop s ASN 8 Ca 0.00 -0.07 0.14 0.00 -0.94 0.00 0.00 52.86 51.99 1jop s ASN 8 Cb 0.00 -1.53 0.74 0.00 -2.00 0.00 0.00 41.25 38.46 1jop s ASN 8 CO 0.00 0.26 1.39 -0.81 -2.94 0.00 0.00 177.10 175.00 1jop n PRO 9 N 2.92 0.09 0.00 3.55 -0.04 -1.26 0.24 135.00 140.50 1jop n PRO 9 Ca -0.18 0.57 0.06 0.00 -0.04 0.00 0.00 63.50 63.92 1jop n PRO 9 Cb 0.53 -1.85 0.04 0.00 -0.04 0.00 0.00 33.50 32.18 1jop n PRO 9 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1jop n ASN 10 N -1.98 1.84 -0.05 3.54 3.02 -1.26 -4.75 115.26 115.62 1jop n ASN 10 Ca -0.01 -1.42 -0.00 0.00 -0.03 0.00 0.00 54.58 53.12 1jop n ASN 10 Cb 0.08 0.13 0.01 0.00 -0.61 0.00 0.00 39.78 39.39 1jop n ASN 10 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1jop n PHE 11 N 0.44 0.01 0.23 3.10 1.16 0.14 0.25 117.46 122.79 1jop n PHE 11 Ca 0.07 0.17 0.10 0.00 -1.87 0.00 0.00 57.45 55.92 1jop n PHE 11 Cb 0.29 -0.55 0.68 0.00 -1.61 0.00 0.00 39.48 38.29 1jop n PHE 11 CO 0.00 0.00 0.00 0.87 -1.87 0.00 0.00 176.76 175.76 1jop h LYS 12 N 0.00 0.00 -6.24 3.97 1.57 -1.85 -3.41 116.57 110.61 1jop h LYS 12 Ca 0.05 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.18 1jop h LYS 12 Cb 0.08 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.41 1jop h LYS 12 CO -0.14 0.00 1.06 1.55 -0.57 0.00 0.00 179.45 181.35 1jop n VAL 13 N -4.42 0.52 -0.16 0.50 3.14 0.14 -0.24 118.33 117.80 1jop n VAL 13 Ca -0.01 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.27 1jop n VAL 13 Cb 0.15 -1.72 0.00 0.00 -1.06 0.00 0.00 33.84 31.22 1jop n VAL 13 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1jop n GLY 14 N 4.37 1.11 3.75 7.55 0.00 -1.26 -5.02 105.19 115.69 1jop n GLY 14 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 1jop n GLY 14 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jop s LEU 15 N 0.00 4.38 0.45 0.99 1.43 0.67 -5.02 118.68 121.59 1jop s LEU 15 Ca 0.00 1.10 -0.23 0.00 -1.03 0.00 0.00 54.13 53.97 1jop s LEU 15 Cb 0.00 -2.89 -0.10 0.00 0.03 0.00 0.00 46.19 43.23 1jop s LEU 15 CO 0.00 0.06 0.89 -2.65 0.23 0.00 0.00 176.35 174.88 1jop n PRO 16 N 2.98 1.09 -0.12 1.29 -0.02 -1.26 -4.77 135.00 134.19 1jop n PRO 16 Ca -0.06 0.40 -0.09 0.00 -2.02 0.00 0.00 63.50 61.72 1jop n PRO 16 Cb 0.51 -1.94 -0.01 0.00 -0.02 0.00 0.00 33.50 32.04 1jop n PRO 16 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1jop h LYS 17 N 1.18 0.55 -0.98 -0.52 1.57 -1.93 -1.13 116.57 115.30 1jop h LYS 17 Ca -0.44 -0.09 0.19 0.00 -1.87 0.00 0.00 60.65 58.44 1jop h LYS 17 Cb 1.36 -0.10 -0.09 0.00 0.08 0.00 0.00 32.23 33.48 1jop h LYS 17 CO 0.54 0.50 0.61 0.28 -0.57 0.00 0.00 179.45 180.82 1jop h VAL 18 N 0.47 0.72 0.00 0.50 2.07 -1.89 1.53 116.25 119.65 1jop h VAL 18 Ca 0.13 -0.24 -0.11 0.00 0.82 0.00 0.00 66.70 67.30 1jop h VAL 18 Cb 0.14 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.86 1jop h VAL 18 CO -0.01 0.13 -0.53 0.40 0.02 0.00 0.00 177.57 177.58 1jop h ILE 19 N 0.70 0.97 -0.01 4.57 2.04 -1.57 -2.75 117.51 121.46 1jop h ILE 19 Ca 0.54 -2.18 -0.15 0.00 1.00 0.00 0.00 64.86 64.08 1jop h ILE 19 Cb 0.93 2.34 0.01 0.00 -0.74 0.00 0.00 36.82 39.36 1jop h ILE 19 CO -0.32 0.52 -0.59 0.00 0.00 0.00 0.00 178.15 177.76 1jop h ALA 20 N 1.47 0.08 -0.88 1.87 0.00 0.21 -0.82 119.26 121.20 1jop h ALA 20 Ca -0.01 -0.56 0.18 0.00 0.00 0.00 0.00 54.91 54.52 1jop h ALA 20 Cb 1.30 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 19.02 1jop h ALA 20 CO 0.07 0.35 0.43 0.93 0.00 0.00 0.00 179.25 181.02 1jop h GLU 21 N -0.10 0.52 -0.19 0.00 5.08 0.14 0.12 114.58 120.14 1jop h GLU 21 Ca -0.07 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.07 1jop h GLU 21 Cb 1.30 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1jop h GLU 21 CO 0.12 0.34 -0.64 0.28 -1.00 0.00 0.00 179.01 178.11 1jop h VAL 22 N 0.54 1.31 -0.45 3.13 2.07 -1.16 -0.33 116.25 121.35 1jop h VAL 22 Ca 0.51 -1.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.13 1jop h VAL 22 Cb 0.84 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 1jop h VAL 22 CO -0.43 0.59 0.20 0.00 0.02 0.00 0.00 177.57 177.95 1jop n ASP 24 N -4.62 0.00 -0.47 0.00 8.00 -0.07 0.13 116.55 119.52 1jop n ASP 24 Ca 0.01 0.42 0.36 0.00 0.71 0.00 0.00 54.79 56.29 1jop n ASP 24 Cb 0.13 0.00 0.57 0.00 -0.02 0.00 0.00 41.12 41.80 1jop n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jop n TYR 25 N -0.76 0.16 -0.05 1.24 4.19 -0.14 0.20 117.16 121.98 1jop n TYR 25 Ca 0.00 0.16 -0.19 0.00 3.31 0.00 0.00 57.90 61.17 1jop n TYR 25 Cb 0.00 -0.53 -0.13 0.00 0.49 0.00 0.00 39.34 39.17 1jop n TYR 25 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 1jop h LEU 26 N 0.00 0.14 -0.17 2.98 3.38 -0.67 -3.16 115.31 117.80 1jop h LEU 26 Ca 0.68 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1jop h LEU 26 Cb 2.56 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 43.27 1jop h LEU 26 CO -0.11 1.37 0.00 0.59 0.09 0.00 0.00 178.44 180.38 1jop n ASN 27 N -4.32 0.04 -2.55 -0.43 3.02 0.53 -2.54 115.26 109.01 1jop n ASN 27 Ca -0.22 -0.52 -0.19 0.00 -0.03 0.00 0.00 54.58 53.62 1jop n ASN 27 Cb 0.69 -0.02 0.01 0.00 -0.61 0.00 0.00 39.78 39.85 1jop n ASN 27 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1jop n THR 28 N -0.35 1.79 -3.80 3.41 5.66 -1.09 -5.04 114.28 114.85 1jop n THR 28 Ca 0.00 -4.12 -0.03 0.00 -3.05 0.00 0.00 64.05 56.85 1jop n THR 28 Cb 0.01 -0.43 0.00 0.00 -1.55 0.00 0.00 70.33 68.36 1jop n THR 28 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1jop s LEU 29 N -3.37 -0.08 -0.49 1.09 1.43 -1.05 -5.02 118.68 111.18 1jop s LEU 29 Ca 0.39 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 1jop s LEU 29 Cb 0.42 2.04 0.13 0.00 0.03 0.00 0.00 46.19 48.81 1jop s LEU 29 CO -0.09 -0.88 0.24 -0.62 0.23 0.00 0.00 176.35 175.23 1jop s ASP 30 N -3.17 4.56 0.16 2.29 -1.08 -1.26 -4.95 116.67 113.22 1jop s ASP 30 Ca 0.17 -2.79 0.11 0.00 -0.52 0.00 0.00 52.55 49.52 1jop s ASP 30 Cb -0.01 -1.67 -0.11 0.00 -1.46 0.00 0.00 42.92 39.67 1jop s ASP 30 CO 0.03 -0.29 1.27 -0.07 0.52 0.00 0.00 175.17 176.63 1jop h LEU 31 N 6.85 0.00 -1.76 -1.34 3.38 -1.97 0.37 115.31 120.83 1jop h LEU 31 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1jop h LEU 31 Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1jop h LEU 31 CO 0.66 0.79 -0.00 0.78 0.09 0.00 0.00 178.44 180.76 1jop h ASN 32 N 0.00 0.13 0.01 -0.43 2.35 -1.92 -3.13 115.58 112.59 1jop h ASN 32 Ca -0.04 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1jop h ASN 32 Cb 1.63 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.97 1jop h ASN 32 CO 0.10 0.16 -0.00 0.00 -1.65 0.00 0.00 177.43 176.04 1jop n ALA 33 N -2.51 2.66 -2.64 -0.83 0.00 0.12 -4.88 120.51 112.43 1jop n ALA 33 Ca -0.01 -0.27 -0.40 0.00 0.00 0.00 0.00 53.44 52.76 1jop n ALA 33 Cb 0.14 -1.42 -0.05 0.00 0.00 0.00 0.00 19.45 18.12 1jop n ALA 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jop s LEU 34 N -2.02 4.35 0.11 0.00 1.43 -0.88 -5.00 118.68 116.68 1jop s LEU 34 Ca 0.45 1.23 -0.32 0.00 -1.03 0.00 0.00 54.13 54.46 1jop s LEU 34 Cb 0.22 -3.09 -0.11 0.00 0.03 0.00 0.00 46.19 43.23 1jop s LEU 34 CO 0.36 -0.07 1.82 1.21 0.23 0.00 0.00 176.35 179.90 1jop n GLU 35 N 3.49 2.69 -0.83 1.70 2.13 -1.26 -4.98 120.64 123.58 1jop n GLU 35 Ca -0.02 0.98 -0.32 0.00 0.66 0.00 0.00 57.16 58.45 1jop n GLU 35 Cb 0.51 -2.86 0.14 0.00 0.27 0.00 0.00 31.44 29.51 1jop n GLU 35 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1jop n ASN 36 N 5.45 -0.15 0.00 4.31 3.02 -1.26 -4.72 115.26 121.91 1jop n ASN 36 Ca 0.18 0.45 0.00 0.00 -0.03 0.00 0.00 54.58 55.18 1jop n ASN 36 Cb 0.36 -1.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.12 1jop n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jop n GLY 37 N 0.69 1.98 3.61 7.41 0.00 -0.78 -4.94 105.19 113.16 1jop n GLY 37 Ca 0.11 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 1jop n GLY 37 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1jop n ARG 38 N 0.76 2.20 -4.27 1.61 0.63 -1.26 -2.80 116.66 113.52 1jop n ARG 38 Ca 0.00 0.67 -0.35 0.00 -0.92 0.00 0.00 57.85 57.25 1jop n ARG 38 Cb 0.00 -3.17 -0.10 0.00 0.45 0.00 0.00 32.46 29.64 1jop n ARG 38 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1jop s HIS 39 N 7.28 3.19 0.03 -0.14 3.76 0.15 -4.94 115.29 124.61 1jop s HIS 39 Ca 0.98 0.11 -0.06 0.00 -0.15 0.00 0.00 55.06 55.94 1jop s HIS 39 Cb -0.37 -1.89 -0.05 0.00 1.11 0.00 0.00 32.58 31.39 1jop s HIS 39 CO 0.37 0.34 0.28 -0.51 -0.85 0.00 0.00 174.74 174.37 1jop s ASP 40 N -0.43 6.49 -0.10 1.40 1.01 -1.26 0.20 116.67 123.99 1jop s ASP 40 Ca 0.08 0.55 -0.04 0.00 0.71 0.00 0.00 52.55 53.85 1jop s ASP 40 Cb -0.12 -2.08 -0.04 0.00 1.01 0.00 0.00 42.92 41.68 1jop s ASP 40 CO 0.02 0.22 -0.12 -0.38 0.21 0.00 0.00 175.17 175.12 1jop n ILE 41 N 0.91 0.52 -3.04 0.77 5.41 0.33 -4.84 119.36 119.42 1jop n ILE 41 Ca -0.09 -0.15 0.00 0.00 1.00 0.00 0.00 62.75 63.51 1jop n ILE 41 Cb 0.52 -1.48 0.00 0.00 -0.71 0.00 0.00 39.64 37.97 1jop n ILE 41 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1jop n ASN 42 N -3.31 0.08 0.06 4.38 0.23 -0.72 -4.96 115.26 111.02 1jop n ASN 42 Ca -0.18 -0.04 -0.08 0.00 -0.53 0.00 0.00 54.58 53.75 1jop n ASN 42 Cb 0.64 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 38.40 1jop n ASN 42 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1jop h ASP 43 N 0.00 0.42 0.41 0.53 3.32 -2.04 -3.20 116.42 115.86 1jop h ASP 43 Ca 0.00 -0.26 -0.29 0.00 0.02 0.00 0.00 57.03 56.51 1jop h ASP 43 Cb 0.00 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.38 1jop h ASP 43 CO 0.00 0.96 -1.81 0.00 -1.72 0.00 0.00 179.24 176.67 1jop n GLN 44 N -3.86 0.64 -5.07 3.56 3.00 -1.26 -4.98 117.38 109.41 1jop n GLN 44 Ca -0.03 0.22 -0.32 0.00 -0.01 0.00 0.00 57.00 56.86 1jop n GLN 44 Cb 0.66 -1.74 -0.15 0.00 0.00 0.00 0.00 30.24 29.01 1jop n GLN 44 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1jop s ILE 45 N -2.62 2.56 0.05 5.09 1.01 -1.21 -4.70 121.20 121.38 1jop s ILE 45 Ca -0.06 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.72 1jop s ILE 45 Cb 0.08 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 1jop s ILE 45 CO 0.83 0.57 -0.07 -0.72 0.00 0.00 0.00 174.94 175.55 1jop s TYR 46 N -0.35 0.65 0.10 3.97 -0.85 -1.05 0.12 117.35 119.95 1jop s TYR 46 Ca 0.03 -0.59 0.10 0.00 -0.52 0.00 0.00 57.07 56.08 1jop s TYR 46 Cb -0.12 -0.39 -0.04 0.00 0.38 0.00 0.00 41.96 41.78 1jop s TYR 46 CO 0.02 -0.12 -0.25 0.00 -1.52 0.00 0.00 175.55 173.68 1jop s MET 47 N -2.03 1.58 -0.27 -3.49 0.23 0.54 -1.45 119.30 114.41 1jop s MET 47 Ca -0.06 -1.25 -0.08 0.00 -1.03 0.00 0.00 55.69 53.26 1jop s MET 47 Cb -0.07 -1.96 -0.02 0.00 -1.53 0.00 0.00 34.83 31.25 1jop s MET 47 CO -0.01 0.47 0.09 -0.80 -2.03 0.00 0.00 175.02 172.75 1jop s ASN 48 N -1.86 5.27 -0.15 -1.18 0.01 -0.21 -0.67 114.94 116.16 1jop s ASN 48 Ca 0.14 -0.29 -0.13 0.00 -0.71 0.00 0.00 52.86 51.88 1jop s ASN 48 Cb -0.10 -1.95 -0.05 0.00 0.41 0.00 0.00 41.25 39.56 1jop s ASN 48 CO 0.06 -0.08 0.27 -0.69 -1.51 0.00 0.00 177.10 175.15 1jop s VAL 49 N 1.62 5.31 -0.03 1.60 1.01 -1.12 0.18 120.40 128.97 1jop s VAL 49 Ca 0.06 0.50 -0.04 0.00 0.00 0.00 0.00 61.98 62.51 1jop s VAL 49 Cb -0.16 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.63 1jop s VAL 49 CO 0.05 0.43 0.09 -0.04 0.00 0.00 0.00 175.10 175.63 1jop s MET 50 N 0.16 0.17 -0.39 2.72 -1.94 1.41 -1.87 119.30 119.56 1jop s MET 50 Ca 0.16 0.02 0.05 0.00 -1.71 0.00 0.00 55.69 54.21 1jop s MET 50 Cb -0.13 0.08 0.47 0.00 2.01 0.00 0.00 34.83 37.26 1jop s MET 50 CO 0.04 -0.03 1.51 -1.91 -0.01 0.00 0.00 175.02 174.62 1jop n GLU 51 N 2.74 2.83 0.00 2.03 2.13 -1.26 -0.78 120.64 128.33 1jop n GLU 51 Ca -0.14 -3.64 0.00 0.00 0.66 0.00 0.00 57.16 54.04 1jop n GLU 51 Cb 0.59 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 30.15 1jop n GLU 51 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1jop n PRO 52 N -0.89 3.83 0.00 5.31 -0.02 -1.26 -4.87 135.00 137.10 1jop n PRO 52 Ca 0.46 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1jop n PRO 52 Cb 0.92 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.40 1jop n PRO 52 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1jop n LYS 61 N 0.00 0.00 -2.50 -0.52 5.02 -1.26 -4.93 118.16 113.97 1jop n LYS 61 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 1jop n LYS 61 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 1jop n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jop s ALA 62 N 0.00 3.22 -0.05 7.82 0.00 0.17 -4.87 121.76 128.05 1jop s ALA 62 Ca 0.00 0.80 0.05 0.00 0.00 0.00 0.00 51.96 52.81 1jop s ALA 62 Cb 0.00 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.80 1jop s ALA 62 CO 0.00 -0.22 -0.20 -2.00 0.00 0.00 0.00 175.76 173.34 1jop s GLU 63 N -2.05 2.46 0.14 0.00 2.12 -0.70 -1.98 118.70 118.70 1jop s GLU 63 Ca 0.52 -0.81 0.05 0.00 0.36 0.00 0.00 54.97 55.10 1jop s GLU 63 Cb -0.27 -2.25 -0.04 0.00 0.26 0.00 0.00 34.13 31.83 1jop s GLU 63 CO 0.34 0.52 -0.12 -1.17 -0.54 0.00 0.00 175.26 174.29 1jop s LEU 64 N -0.49 2.48 0.05 2.70 0.20 0.33 -1.72 118.68 122.22 1jop s LEU 64 Ca 0.06 -0.92 -0.01 0.00 0.69 0.00 0.00 54.13 53.95 1jop s LEU 64 Cb -0.11 -0.44 -0.04 0.00 -0.43 0.00 0.00 46.19 45.17 1jop s LEU 64 CO 0.01 -0.24 -0.02 -1.00 -0.29 0.00 0.00 176.35 174.81 1jop s HIS 65 N -2.78 0.46 -0.17 5.38 3.76 -1.26 -1.72 115.29 118.96 1jop s HIS 65 Ca 0.13 -0.96 0.02 0.00 -0.15 0.00 0.00 55.06 54.10 1jop s HIS 65 Cb -0.01 -0.35 -0.11 0.00 1.11 0.00 0.00 32.58 33.22 1jop s HIS 65 CO 0.02 -0.35 -0.14 0.72 -0.85 0.00 0.00 174.74 174.14 1jop n HIS 66 N 0.36 0.00 -0.01 1.40 8.25 -1.26 -0.89 115.22 123.07 1jop n HIS 66 Ca -0.16 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.30 1jop n HIS 66 Cb 0.60 -0.66 -0.04 0.00 1.12 0.00 0.00 29.99 31.02 1jop n HIS 66 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1jop n GLU 67 N -2.97 1.84 -4.44 -0.41 1.02 -1.26 -4.80 120.64 109.62 1jop n GLU 67 Ca -0.30 -0.02 -0.20 0.00 -0.02 0.00 0.00 57.16 56.62 1jop n GLU 67 Cb 0.83 -1.13 -0.14 0.00 -0.02 0.00 0.00 31.44 30.98 1jop n GLU 67 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1jop s TYR 68 N -2.23 1.06 0.13 -0.32 1.51 -1.26 -2.56 117.35 113.68 1jop s TYR 68 Ca -0.02 -0.25 -0.10 0.00 -1.01 0.00 0.00 57.07 55.69 1jop s TYR 68 Cb 0.02 -0.67 -0.06 0.00 -0.11 0.00 0.00 41.96 41.14 1jop s TYR 68 CO 0.21 -0.01 0.46 -0.48 -1.11 0.00 0.00 175.55 174.62 1jop s LEU 69 N -0.55 4.31 -0.21 -1.29 0.05 0.26 -4.37 118.68 116.88 1jop s LEU 69 Ca 0.03 0.86 -0.20 0.00 0.05 0.00 0.00 54.13 54.87 1jop s LEU 69 Cb -0.06 -3.20 -0.03 0.00 -2.05 0.00 0.00 46.19 40.86 1jop s LEU 69 CO 0.00 0.10 0.60 -1.81 -0.55 0.00 0.00 176.35 174.70 1jop s ASP 70 N -1.91 6.64 -0.31 1.48 1.11 -0.77 -2.26 116.67 120.66 1jop s ASP 70 Ca 0.37 0.78 -0.15 0.00 0.18 0.00 0.00 52.55 53.73 1jop s ASP 70 Cb -0.14 -2.33 -0.02 0.00 1.07 0.00 0.00 42.92 41.50 1jop s ASP 70 CO 0.19 -0.26 0.37 -0.69 1.18 0.00 0.00 175.17 175.96 1jop s VAL 71 N 1.93 5.17 -0.08 -1.27 1.01 0.33 -0.46 120.40 127.02 1jop s VAL 71 Ca 0.27 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.55 1jop s VAL 71 Cb -0.16 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1jop s VAL 71 CO 0.10 0.01 -0.09 -1.10 0.00 0.00 0.00 175.10 174.02 1jop s GLN 72 N 2.06 2.84 -0.00 2.72 -0.21 0.01 0.20 119.66 127.27 1jop s GLN 72 Ca 0.13 -0.60 0.02 0.00 0.02 0.00 0.00 55.36 54.93 1jop s GLN 72 Cb -0.16 -2.57 -0.00 0.00 1.00 0.00 0.00 33.01 31.28 1jop s GLN 72 CO 0.11 0.56 -0.05 0.08 -2.12 0.00 0.00 175.29 173.87 1jop s VAL 73 N -0.55 0.42 -0.18 1.09 1.01 -0.86 -2.01 120.40 119.33 1jop s VAL 73 Ca 0.08 -0.24 -0.08 0.00 0.00 0.00 0.00 61.98 61.74 1jop s VAL 73 Cb -0.12 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 1jop s VAL 73 CO 0.02 0.11 0.08 -0.22 0.00 0.00 0.00 175.10 175.09 1jop s LEU 74 N -0.15 3.94 -0.15 3.92 2.96 -1.20 -2.14 118.68 125.86 1jop s LEU 74 Ca 0.02 0.15 0.08 0.00 -0.22 0.00 0.00 54.13 54.16 1jop s LEU 74 Cb -0.02 -2.00 -0.15 0.00 0.50 0.00 0.00 46.19 44.52 1jop s LEU 74 CO -0.00 0.20 -0.03 -0.38 -1.32 0.00 0.00 176.35 174.82 1jop n ILE 75 N 3.35 0.98 -3.55 6.68 5.41 0.36 -2.18 119.36 130.42 1jop n ILE 75 Ca -0.17 -0.52 -0.16 0.00 1.00 0.00 0.00 62.75 62.90 1jop n ILE 75 Cb 0.52 -0.82 -0.06 0.00 -0.71 0.00 0.00 39.64 38.58 1jop n ILE 75 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1jop s ARG 76 N -2.35 1.03 0.06 0.38 0.52 -0.97 -4.73 118.95 112.90 1jop s ARG 76 Ca -0.13 0.08 0.00 0.00 -0.52 0.00 0.00 55.73 55.16 1jop s ARG 76 Cb 0.05 0.48 0.00 0.00 0.52 0.00 0.00 34.95 36.00 1jop s ARG 76 CO 0.51 -0.34 0.00 0.41 0.02 0.00 0.00 175.30 175.90 1jop n GLY 77 N 0.77 -1.88 2.88 -3.53 0.00 -1.26 -1.54 105.19 100.63 1jop n GLY 77 Ca -0.19 -1.99 -0.13 0.00 0.00 0.00 0.00 46.02 43.70 1jop n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jop s THR 78 N 0.00 0.10 0.01 2.61 2.01 -1.26 -4.28 115.64 114.82 1jop s THR 78 Ca 0.00 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 61.96 1jop s THR 78 Cb 0.00 -0.10 -0.01 0.00 0.01 0.00 0.00 72.50 72.41 1jop s THR 78 CO 0.00 0.03 -0.02 -0.70 -0.69 0.00 0.00 174.62 173.24 1jop s GLU 79 N 0.04 0.17 -0.09 4.92 2.12 -0.26 -4.74 118.70 120.87 1jop s GLU 79 Ca -0.00 -0.23 0.03 0.00 0.36 0.00 0.00 54.97 55.13 1jop s GLU 79 Cb -0.01 -0.05 0.01 0.00 0.26 0.00 0.00 34.13 34.34 1jop s GLU 79 CO -0.00 0.01 -0.20 -0.80 -0.54 0.00 0.00 175.26 173.73 1jop s ASN 80 N -0.50 2.62 -0.07 -1.70 0.01 -1.26 0.20 114.94 114.23 1jop s ASN 80 Ca -0.05 -0.47 -0.01 0.00 -0.71 0.00 0.00 52.86 51.62 1jop s ASN 80 Cb -0.04 -1.20 0.03 0.00 0.41 0.00 0.00 41.25 40.45 1jop s ASN 80 CO -0.00 0.11 0.00 -0.63 -1.51 0.00 0.00 177.10 175.07 1jop s ILE 81 N 0.48 0.37 0.18 0.60 1.01 -0.56 -1.77 121.20 121.51 1jop s ILE 81 Ca -0.17 0.12 -0.22 0.00 0.00 0.00 0.00 60.65 60.38 1jop s ILE 81 Cb -0.17 -0.52 -0.08 0.00 0.01 0.00 0.00 42.46 41.69 1jop s ILE 81 CO 0.07 0.26 0.74 -1.61 0.00 0.00 0.00 174.94 174.40 1jop s GLU 82 N 1.95 4.41 -0.18 2.79 2.02 -0.76 -0.37 118.70 128.56 1jop s GLU 82 Ca 0.05 1.01 -0.17 0.00 0.02 0.00 0.00 54.97 55.88 1jop s GLU 82 Cb -0.12 -3.09 0.05 0.00 0.10 0.00 0.00 34.13 31.06 1jop s GLU 82 CO -0.05 0.50 0.48 0.08 0.02 0.00 0.00 175.26 176.28 1jop s VAL 83 N -1.31 -0.00 -0.12 2.63 1.01 0.10 -0.99 120.40 121.72 1jop s VAL 83 Ca 0.38 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.39 1jop s VAL 83 Cb -0.20 -0.67 0.01 0.00 0.00 0.00 0.00 36.38 35.53 1jop s VAL 83 CO 0.23 0.00 -0.19 -0.83 0.00 0.00 0.00 175.10 174.32 1jop s GLY 84 N 0.26 1.19 0.00 4.51 0.00 -0.74 -0.38 107.32 112.16 1jop s GLY 84 Ca -0.00 -0.88 0.14 0.00 0.00 0.00 0.00 44.72 43.98 1jop s GLY 84 CO 0.01 0.06 0.90 0.00 0.00 0.00 0.00 173.10 174.07 1jop n ALA 85 N 4.05 2.62 -2.95 3.20 0.00 -1.26 -3.96 120.51 122.20 1jop n ALA 85 Ca -0.20 -0.58 -0.24 0.00 0.00 0.00 0.00 53.44 52.42 1jop n ALA 85 Cb 0.52 -0.48 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 1jop n ALA 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1jop s THR 86 N -1.32 5.27 0.12 0.00 2.01 -1.26 -4.98 115.64 115.48 1jop s THR 86 Ca 0.15 -0.84 -0.31 0.00 0.31 0.00 0.00 61.69 61.00 1jop s THR 86 Cb 0.12 -3.79 -0.10 0.00 0.01 0.00 0.00 72.50 68.74 1jop s THR 86 CO 0.22 -0.21 1.67 -0.47 -0.69 0.00 0.00 174.62 175.14 1jop s TYR 87 N -1.86 2.60 0.66 4.92 5.04 -1.26 -4.85 117.35 122.61 1jop s TYR 87 Ca 0.34 0.34 -0.16 0.00 -2.44 0.00 0.00 57.07 55.16 1jop s TYR 87 Cb -0.10 -4.01 0.00 0.00 0.35 0.00 0.00 41.96 38.20 1jop s TYR 87 CO 0.29 -3.98 1.15 -1.25 -1.34 0.00 0.00 175.55 170.42 1jop s PRO 88 N 2.07 2.70 -0.46 4.97 0.04 -1.26 -4.92 135.00 138.14 1jop s PRO 88 Ca 0.74 1.57 -0.26 0.00 0.04 0.00 0.00 61.00 63.09 1jop s PRO 88 Cb -0.43 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.21 1jop s PRO 88 CO 0.33 -1.36 0.95 1.21 0.04 0.00 0.00 177.00 178.16 1jop s ASN 89 N -2.21 6.53 0.16 6.66 3.84 -1.26 -4.95 114.94 123.70 1jop s ASN 89 Ca 0.71 0.20 0.27 0.00 0.21 0.00 0.00 52.86 54.25 1jop s ASN 89 Cb -0.24 -2.46 0.92 0.00 -0.55 0.00 0.00 41.25 38.91 1jop s ASN 89 CO 0.40 -1.06 1.81 0.18 -2.79 0.00 0.00 177.10 175.64 1jop n LEU 90 N 7.22 0.61 -0.32 3.21 4.77 -1.26 -2.56 117.00 128.67 1jop n LEU 90 Ca 0.07 0.56 0.02 0.00 -0.03 0.00 0.00 56.01 56.63 1jop n LEU 90 Cb 0.49 -0.37 0.16 0.00 -2.33 0.00 0.00 43.42 41.37 1jop n LEU 90 CO 0.64 -0.14 1.20 0.77 -1.33 0.00 0.00 177.39 178.53 1jop h SER 91 N 0.00 0.85 0.27 -1.43 4.64 -2.03 -2.44 113.55 113.42 1jop h SER 91 Ca 0.00 0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 61.18 1jop h SER 91 Cb 0.68 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 1jop h SER 91 CO 0.00 0.52 -0.64 0.11 -0.87 0.00 0.00 176.83 175.95 1jop h LYS 92 N 0.97 0.35 -7.01 4.77 1.57 -1.92 -3.45 116.57 111.85 1jop h LYS 92 Ca 0.40 -0.25 -0.53 0.00 -1.87 0.00 0.00 60.65 58.40 1jop h LYS 92 Cb 0.24 0.04 0.21 0.00 0.08 0.00 0.00 32.23 32.80 1jop h LYS 92 CO -0.20 0.87 -0.18 0.66 -0.57 0.00 0.00 179.45 180.03 1jop n TYR 93 N -3.87 -0.31 -0.08 -1.35 4.02 -0.92 -4.86 117.16 109.78 1jop n TYR 93 Ca -0.03 0.32 -0.14 0.00 -0.01 0.00 0.00 57.90 58.03 1jop n TYR 93 Cb 0.65 -1.90 -0.09 0.00 -0.02 0.00 0.00 39.34 37.98 1jop n TYR 93 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1jop h GLU 94 N -1.64 0.00 0.00 -0.72 5.08 -1.45 -3.48 114.58 112.37 1jop h GLU 94 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1jop h GLU 94 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1jop h GLU 94 CO 0.38 0.76 0.00 -3.47 -1.00 0.00 0.00 179.01 175.68 1jop n ASP 95 N -4.56 0.00 -4.66 1.42 -0.08 -1.26 -4.98 116.55 102.43 1jop n ASP 95 Ca -0.17 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.69 1jop n ASP 95 Cb 0.48 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.94 1jop n ASP 95 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jop n TYR 96 N 0.00 1.73 -3.90 -0.67 9.36 -1.26 -4.78 117.16 117.64 1jop n TYR 96 Ca 0.00 0.55 -0.35 0.00 3.32 0.00 0.00 57.90 61.41 1jop n TYR 96 Cb 0.00 -2.32 -0.14 0.00 -0.63 0.00 0.00 39.34 36.26 1jop n TYR 96 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1jop s ASN 97 N -0.58 4.52 0.31 2.98 3.84 -0.65 -4.97 114.94 120.38 1jop s ASN 97 Ca 0.61 -0.76 0.16 0.00 0.21 0.00 0.00 52.86 53.08 1jop s ASN 97 Cb -0.55 -1.73 0.26 0.00 -0.55 0.00 0.00 41.25 38.68 1jop s ASN 97 CO 0.58 -0.13 1.53 -0.33 -2.79 0.00 0.00 177.10 175.97 1jop h GLU 98 N 8.08 0.00 -0.01 0.43 5.08 -1.92 -1.15 114.58 125.10 1jop h GLU 98 Ca -0.34 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.84 1jop h GLU 98 Cb 1.12 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.38 1jop h GLU 98 CO 0.59 0.47 -0.70 0.00 -1.00 0.00 0.00 179.01 178.36 1jop h ALA 99 N 1.53 0.09 -0.82 3.43 0.00 -1.97 -3.26 119.26 118.25 1jop h ALA 99 Ca -0.00 -0.60 -0.53 0.00 0.00 0.00 0.00 54.91 53.78 1jop h ALA 99 Cb 1.24 0.04 -0.29 0.00 0.00 0.00 0.00 17.79 18.78 1jop h ALA 99 CO 0.06 0.43 0.29 -0.25 0.00 0.00 0.00 179.25 179.79 1jop n ASP 100 N -4.13 5.45 -3.83 0.00 9.92 -1.24 -5.01 116.55 117.71 1jop n ASP 100 Ca -0.10 -3.75 -0.29 0.00 -0.53 0.00 0.00 54.79 50.11 1jop n ASP 100 Cb 0.72 -0.75 0.01 0.00 -0.64 0.00 0.00 41.12 40.46 1jop n ASP 100 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1jop n ASP 101 N -0.95 -2.99 -3.82 -2.24 2.03 -0.46 -4.91 116.55 103.21 1jop n ASP 101 Ca 0.53 -0.86 -0.09 0.00 0.52 0.00 0.00 54.79 54.89 1jop n ASP 101 Cb 0.97 -1.11 -0.04 0.00 -0.72 0.00 0.00 41.12 40.22 1jop n ASP 101 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1jop s TYR 102 N -3.62 0.03 -0.01 -0.67 -0.85 -1.05 -4.39 117.35 106.80 1jop s TYR 102 Ca 0.25 -0.39 -0.13 0.00 -0.52 0.00 0.00 57.07 56.28 1jop s TYR 102 Cb -0.14 0.30 0.02 0.00 0.38 0.00 0.00 41.96 42.51 1jop s TYR 102 CO 0.67 -0.90 0.27 -0.65 -1.52 0.00 0.00 175.55 173.41 1jop s GLN 103 N -3.91 0.63 0.43 -3.49 -0.21 -0.70 -1.64 119.66 110.76 1jop s GLN 103 Ca 0.12 -0.24 0.04 0.00 0.02 0.00 0.00 55.36 55.30 1jop s GLN 103 Cb -0.00 0.27 -0.04 0.00 1.00 0.00 0.00 33.01 34.24 1jop s GLN 103 CO -0.00 -0.17 0.04 -0.51 -2.12 0.00 0.00 175.29 172.53 1jop s LEU 104 N -1.35 2.37 0.04 2.90 1.43 -1.24 -0.51 118.68 122.32 1jop s LEU 104 Ca -0.14 -1.53 -0.28 0.00 -1.03 0.00 0.00 54.13 51.16 1jop s LEU 104 Cb -0.06 -0.58 0.09 0.00 0.03 0.00 0.00 46.19 45.67 1jop s LEU 104 CO 0.04 -0.71 0.87 0.00 0.23 0.00 0.00 176.35 176.78 1jop h ALA 106 N 2.00 0.98 -2.13 0.00 0.00 -1.93 0.47 119.26 118.65 1jop h ALA 106 Ca -0.24 -0.11 -0.60 0.00 0.00 0.00 0.00 54.91 53.97 1jop h ALA 106 Cb 1.25 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.89 1jop h ALA 106 CO 0.30 0.15 -0.71 -0.51 0.00 0.00 0.00 179.25 178.48 1jop s ASP 107 N -6.04 3.86 -0.08 0.00 1.01 -1.26 -4.56 116.67 109.61 1jop s ASP 107 Ca 0.02 -0.98 0.04 0.00 0.71 0.00 0.00 52.55 52.35 1jop s ASP 107 Cb 0.08 -0.43 -0.00 0.00 1.01 0.00 0.00 42.92 43.58 1jop s ASP 107 CO 0.62 -0.04 -0.22 -0.63 0.21 0.00 0.00 175.17 175.11 1jop s ILE 108 N -2.49 1.86 0.05 0.77 1.01 -1.26 -4.84 121.20 116.30 1jop s ILE 108 Ca 0.31 -0.92 -0.24 0.00 0.00 0.00 0.00 60.65 59.80 1jop s ILE 108 Cb -0.04 -1.60 -0.06 0.00 0.01 0.00 0.00 42.46 40.77 1jop s ILE 108 CO 0.17 0.52 0.73 -1.81 0.00 0.00 0.00 174.94 174.55 1jop s ASP 109 N 0.21 7.19 -0.50 3.58 1.01 -1.26 -3.82 116.67 123.08 1jop s ASP 109 Ca -0.12 1.42 -0.00 0.00 0.71 0.00 0.00 52.55 54.55 1jop s ASP 109 Cb -0.16 -2.45 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1jop s ASP 109 CO 0.06 0.06 0.00 0.47 0.21 0.00 0.00 175.17 175.97 1jop n ASP 110 N 2.63 -2.38 -4.61 0.27 8.00 -1.26 -4.77 116.55 114.44 1jop n ASP 110 Ca -0.04 -0.01 -0.44 0.00 0.71 0.00 0.00 54.79 55.01 1jop n ASP 110 Cb 0.50 -1.74 -0.01 0.00 -0.02 0.00 0.00 41.12 39.85 1jop n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1jop n LYS 111 N -1.56 1.47 -4.21 -1.24 5.02 -1.25 -4.56 118.16 111.83 1jop n LYS 111 Ca -0.07 0.52 -0.14 0.00 -2.02 0.00 0.00 58.31 56.60 1jop n LYS 111 Cb 0.55 -1.93 -0.09 0.00 -0.02 0.00 0.00 35.03 33.54 1jop n LYS 111 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1jop s PHE 112 N -1.03 1.26 -0.15 2.13 -0.71 0.49 -4.90 117.98 115.08 1jop s PHE 112 Ca 0.59 -1.42 0.01 0.00 -1.04 0.00 0.00 56.93 55.07 1jop s PHE 112 Cb -0.68 -0.56 0.02 0.00 -1.21 0.00 0.00 43.02 40.58 1jop s PHE 112 CO 0.60 -0.71 -0.17 0.99 -1.34 0.00 0.00 175.22 174.59 1jop s THR 113 N -3.99 1.77 -0.06 -4.49 2.01 -1.26 0.02 115.64 109.64 1jop s THR 113 Ca 0.39 -0.78 -0.01 0.00 0.31 0.00 0.00 61.69 61.60 1jop s THR 113 Cb 0.06 -1.61 -0.03 0.00 0.01 0.00 0.00 72.50 70.92 1jop s THR 113 CO 0.15 0.49 0.02 -0.69 -0.69 0.00 0.00 174.62 173.91 1jop s VAL 114 N 1.19 4.43 -0.26 3.82 1.01 0.50 -4.91 120.40 126.19 1jop s VAL 114 Ca 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 61.98 61.63 1jop s VAL 114 Cb -0.14 -2.91 -0.00 0.00 0.00 0.00 0.00 36.38 33.32 1jop s VAL 114 CO -0.07 0.53 0.02 -0.89 0.00 0.00 0.00 175.10 174.69 1jop s THR 115 N -0.98 3.74 -0.17 3.92 2.01 -1.26 -1.49 115.64 121.42 1jop s THR 115 Ca 0.16 -0.54 -0.19 0.00 0.31 0.00 0.00 61.69 61.43 1jop s THR 115 Cb -0.11 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.54 1jop s THR 115 CO 0.05 0.26 0.52 -0.04 -0.69 0.00 0.00 174.62 174.73 1jop s MET 116 N 1.50 4.25 0.37 4.92 -1.94 0.53 -4.92 119.30 124.01 1jop s MET 116 Ca 0.04 0.46 0.09 0.00 -1.71 0.00 0.00 55.69 54.56 1jop s MET 116 Cb -0.16 -3.52 -0.07 0.00 2.01 0.00 0.00 34.83 33.10 1jop s MET 116 CO 0.00 -0.05 -0.04 0.15 -0.01 0.00 0.00 175.02 175.07 1jop s LYS 117 N 1.31 1.91 0.72 2.03 -0.14 -1.26 -1.10 119.74 123.20 1jop s LYS 117 Ca 0.25 -1.97 -0.13 0.00 -1.36 0.00 0.00 55.97 52.76 1jop s LYS 117 Cb -0.15 -1.72 0.03 0.00 -1.68 0.00 0.00 37.83 34.31 1jop s LYS 117 CO 0.10 0.07 1.11 -2.14 -0.76 0.00 0.00 175.35 173.72 1jop s PRO 118 N -3.67 2.51 -0.19 -1.68 0.02 -1.26 -2.40 135.00 128.33 1jop s PRO 118 Ca 0.34 1.31 0.00 0.00 0.02 0.00 0.00 61.00 62.67 1jop s PRO 118 Cb 0.05 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.65 1jop s PRO 118 CO 0.18 -1.47 0.00 1.63 -0.33 0.00 0.00 177.00 177.01 1jop n LYS 119 N -2.93 -0.44 -5.05 5.54 5.02 -0.93 -4.99 118.16 114.39 1jop n LYS 119 Ca 0.10 0.32 -0.28 0.00 -2.02 0.00 0.00 58.31 56.42 1jop n LYS 119 Cb 0.52 -3.80 -0.16 0.00 -0.02 0.00 0.00 35.03 31.57 1jop n LYS 119 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1jop s MET 120 N -1.16 1.97 -0.03 1.97 -1.94 -1.01 0.16 119.30 119.26 1jop s MET 120 Ca 0.00 -0.76 0.00 0.00 -1.71 0.00 0.00 55.69 53.23 1jop s MET 120 Cb 0.00 -1.77 0.02 0.00 2.01 0.00 0.00 34.83 35.09 1jop s MET 120 CO 0.00 0.37 0.00 -0.59 -0.01 0.00 0.00 175.02 174.79 1jop s PHE 121 N -0.24 0.27 -0.21 -0.03 -0.71 0.89 -3.25 117.98 114.69 1jop s PHE 121 Ca 0.01 0.01 -0.05 0.00 -1.04 0.00 0.00 56.93 55.86 1jop s PHE 121 Cb -0.11 -0.36 -0.02 0.00 -1.21 0.00 0.00 43.02 41.32 1jop s PHE 121 CO 0.01 -0.11 0.00 0.00 -1.34 0.00 0.00 175.22 173.79 1jop s ALA 122 N 0.92 3.02 -0.17 1.99 0.00 -0.85 -1.82 121.76 124.85 1jop s ALA 122 Ca -0.09 -1.04 -0.12 0.00 0.00 0.00 0.00 51.96 50.71 1jop s ALA 122 Cb -0.12 -1.81 -0.05 0.00 0.00 0.00 0.00 23.12 21.14 1jop s ALA 122 CO -0.02 -0.25 0.22 0.08 0.00 0.00 0.00 175.76 175.79 1jop s VAL 123 N 1.17 5.36 -0.23 0.00 1.01 0.21 -0.81 120.40 127.11 1jop s VAL 123 Ca 0.03 0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.41 1jop s VAL 123 Cb -0.14 -3.55 0.05 0.00 0.00 0.00 0.00 36.38 32.73 1jop s VAL 123 CO 0.01 0.43 -0.11 -0.36 0.00 0.00 0.00 175.10 175.07 1jop s PHE 124 N 0.27 2.85 0.75 5.22 0.08 0.39 -1.63 117.98 125.91 1jop s PHE 124 Ca 0.13 -1.95 -0.12 0.00 0.12 0.00 0.00 56.93 55.11 1jop s PHE 124 Cb -0.12 -1.80 0.04 0.00 -0.57 0.00 0.00 43.02 40.57 1jop s PHE 124 CO 0.02 -0.82 1.13 0.71 -0.10 0.00 0.00 175.22 176.16 1jop s TYR 125 N 1.25 3.17 0.31 0.36 1.51 -1.26 -1.84 117.35 120.84 1jop s TYR 125 Ca -0.04 0.93 -0.27 0.00 -1.01 0.00 0.00 57.07 56.68 1jop s TYR 125 Cb -0.18 -3.24 -0.14 0.00 -0.11 0.00 0.00 41.96 38.29 1jop s TYR 125 CO -0.07 -1.42 0.87 -2.30 -1.11 0.00 0.00 175.55 171.52 1jop n PRO 126 N -3.13 1.04 -0.96 -1.71 -0.02 -1.25 -1.10 135.00 127.86 1jop n PRO 126 Ca 0.07 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1jop n PRO 126 Cb 0.59 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 1jop n PRO 126 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1jop n TYR 127 N -0.03 0.00 -2.79 6.00 4.02 -0.07 -4.92 117.16 119.37 1jop n TYR 127 Ca 0.11 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.57 1jop n TYR 127 Cb 0.33 -0.35 -0.04 0.00 -0.02 0.00 0.00 39.34 39.26 1jop n TYR 127 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1jop s GLU 128 N -0.31 3.52 0.43 -0.72 2.02 -0.26 -4.41 118.70 118.96 1jop s GLU 128 Ca 0.00 0.15 -0.24 0.00 0.02 0.00 0.00 54.97 54.90 1jop s GLU 128 Cb 0.00 -3.95 -0.08 0.00 0.10 0.00 0.00 34.13 30.20 1jop s GLU 128 CO 0.00 -1.30 1.20 -1.25 0.02 0.00 0.00 175.26 173.93 1jop s PRO 129 N 3.91 3.90 0.01 0.39 0.04 -1.25 -4.65 135.00 137.35 1jop s PRO 129 Ca 0.38 1.89 -0.18 0.00 0.04 0.00 0.00 61.00 63.12 1jop s PRO 129 Cb -0.10 -2.59 0.03 0.00 0.04 0.00 0.00 34.50 31.89 1jop s PRO 129 CO 0.26 -0.46 0.40 -3.38 0.04 0.00 0.00 177.00 173.86 1jop s HIS 130 N -1.42 -0.28 -0.38 0.56 -3.43 -0.70 -1.78 115.29 107.85 1jop s HIS 130 Ca 0.60 0.36 0.03 0.00 -0.80 0.00 0.00 55.06 55.25 1jop s HIS 130 Cb -0.32 0.19 0.16 0.00 -1.43 0.00 0.00 32.58 31.18 1jop s HIS 130 CO 0.40 -0.50 0.38 0.15 -2.00 0.00 0.00 174.74 173.16 1jop s LYS 131 N -1.84 0.68 0.00 -0.38 1.02 -0.17 -1.71 119.74 117.34 1jop s LYS 131 Ca -0.09 -1.02 -0.12 0.00 0.02 0.00 0.00 55.97 54.75 1jop s LYS 131 Cb -0.02 -0.79 -0.15 0.00 -0.52 0.00 0.00 37.83 36.34 1jop s LYS 131 CO 0.02 -1.22 1.03 -2.30 -0.92 0.00 0.00 175.35 171.96 1jop n PRO 132 N 4.03 0.00 -0.29 -1.68 -0.02 -1.26 -1.82 135.00 133.97 1jop n PRO 132 Ca 0.13 -0.56 0.10 0.00 -2.02 0.00 0.00 63.50 61.15 1jop n PRO 132 Cb 0.45 -1.92 0.33 0.00 -0.02 0.00 0.00 33.50 32.34 1jop n PRO 132 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jop h VAL 135 N 3.29 0.20 0.00 0.00 2.07 -1.85 -3.47 116.25 116.49 1jop h VAL 135 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1jop h VAL 135 Cb 0.61 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1jop h VAL 135 CO 0.05 0.00 0.00 -0.38 0.02 0.00 0.00 177.57 177.26 1jop n ILE 143 N -3.53 0.00 -4.66 4.57 5.41 -1.26 -5.04 119.36 114.85 1jop n ILE 143 Ca 0.15 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.65 1jop n ILE 143 Cb 1.05 0.00 -0.17 0.00 -0.71 0.00 0.00 39.64 39.82 1jop n ILE 143 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1jop s LYS 144 N -2.19 1.91 0.28 0.38 1.02 -0.59 -4.22 119.74 116.33 1jop s LYS 144 Ca 0.00 -0.48 -0.04 0.00 0.02 0.00 0.00 55.97 55.46 1jop s LYS 144 Cb 0.00 -1.56 -0.01 0.00 -0.52 0.00 0.00 37.83 35.74 1jop s LYS 144 CO 0.00 0.04 0.37 -1.59 -0.92 0.00 0.00 175.35 173.25 1jop s LYS 145 N 0.64 1.60 0.04 1.68 -2.85 0.04 -0.48 119.74 120.42 1jop s LYS 145 Ca -0.15 -1.60 0.03 0.00 -1.00 0.00 0.00 55.97 53.25 1jop s LYS 145 Cb -0.16 0.39 -0.02 0.00 -2.06 0.00 0.00 37.83 35.98 1jop s LYS 145 CO 0.04 -0.63 -0.09 -1.17 0.10 0.00 0.00 175.35 173.60 1jop s LEU 146 N -3.16 2.23 -0.10 2.77 0.20 -0.91 0.42 118.68 120.13 1jop s LEU 146 Ca 0.31 -0.51 -0.01 0.00 0.69 0.00 0.00 54.13 54.61 1jop s LEU 146 Cb 0.02 -0.25 0.03 0.00 -0.43 0.00 0.00 46.19 45.56 1jop s LEU 146 CO 0.15 -0.15 -0.05 -0.69 -0.29 0.00 0.00 176.35 175.33 1jop s VAL 147 N -1.23 0.81 -0.14 1.68 1.01 0.49 -2.02 120.40 120.99 1jop s VAL 147 Ca -0.07 -0.16 -0.21 0.00 0.00 0.00 0.00 61.98 61.53 1jop s VAL 147 Cb -0.09 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1jop s VAL 147 CO 0.01 0.32 0.63 -0.69 0.00 0.00 0.00 175.10 175.37 1jop s VAL 148 N 1.80 5.06 -0.24 2.92 1.01 0.53 -1.05 120.40 130.42 1jop s VAL 148 Ca 0.05 1.24 -0.11 0.00 0.00 0.00 0.00 61.98 63.16 1jop s VAL 148 Cb -0.13 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 1jop s VAL 148 CO -0.07 0.19 0.17 -0.54 0.00 0.00 0.00 175.10 174.85 1jop s LYS 149 N 1.34 4.08 -0.04 2.72 3.01 -0.53 0.12 119.74 130.44 1jop s LYS 149 Ca 0.31 -0.25 -0.01 0.00 -1.01 0.00 0.00 55.97 55.01 1jop s LYS 149 Cb -0.16 -3.54 0.03 0.00 -1.01 0.00 0.00 37.83 33.15 1jop s LYS 149 CO 0.13 0.06 0.07 0.08 0.51 0.00 0.00 175.35 176.19 1jop s VAL 150 N 1.06 -0.08 -0.02 3.17 1.01 -0.96 -2.53 120.40 122.06 1jop s VAL 150 Ca 0.08 0.26 -0.30 0.00 0.00 0.00 0.00 61.98 62.02 1jop s VAL 150 Cb -0.14 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 1jop s VAL 150 CO 0.05 0.11 1.00 -2.16 0.00 0.00 0.00 175.10 174.09 1jop s PRO 151 N 1.39 4.52 0.47 2.72 0.04 -1.26 0.91 135.00 143.79 1jop s PRO 151 Ca -0.06 1.43 0.19 0.00 0.04 0.00 0.00 61.00 62.60 1jop s PRO 151 Cb -0.12 -3.48 1.14 0.00 0.04 0.00 0.00 34.50 32.08 1jop s PRO 151 CO -0.04 -0.12 2.01 0.28 0.04 0.00 0.00 177.00 179.16 1jop h VAL 152 N 4.86 0.94 -0.88 -0.36 2.07 -1.84 0.27 116.25 121.31 1jop h VAL 152 Ca -0.39 -0.66 0.26 0.00 0.82 0.00 0.00 66.70 66.73 1jop h VAL 152 Cb 1.20 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 32.31 1jop h VAL 152 CO 0.78 0.18 1.18 0.11 0.02 0.00 0.00 177.57 179.83 1jop h LYS 153 N 0.00 0.00 0.00 1.57 1.79 -1.92 -1.70 116.57 116.31 1jop h LYS 153 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1jop h LYS 153 Cb 0.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 1jop h LYS 153 CO 0.02 0.00 -1.51 1.28 -1.08 0.00 0.00 179.45 178.17 1jop n LEU 154 N -3.15 0.35 -0.01 2.94 4.77 0.96 -5.23 117.00 117.62 1jop n LEU 154 Ca 0.20 -0.19 0.16 0.00 -0.03 0.00 0.00 56.01 56.14 1jop n LEU 154 Cb 1.44 0.00 0.94 0.00 -2.33 0.00 0.00 43.42 43.47 1jop n LEU 154 CO 0.20 0.09 1.11 0.00 -1.33 0.00 0.00 177.39 177.45