#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jop s LEU 26 N 0.00 4.39 0.07 0.55 1.43 -1.26 -4.91 118.68 118.95 2jop s LEU 26 Ca 0.00 1.43 0.06 0.00 -1.03 0.00 0.00 54.13 54.59 2jop s LEU 26 Cb 0.00 -3.28 -0.03 0.00 0.03 0.00 0.00 46.19 42.92 2jop s LEU 26 CO 0.00 -0.09 -0.16 -0.94 0.23 0.00 0.00 176.35 175.39 2jop s SER 27 N 0.46 1.89 0.19 2.29 1.04 -1.24 -0.08 113.70 118.26 2jop s SER 27 Ca 0.42 -0.60 0.18 0.00 0.48 0.00 0.00 55.95 56.42 2jop s SER 27 Cb -0.20 -0.08 0.82 0.00 0.10 0.00 0.00 66.02 66.66 2jop s SER 27 CO 0.23 -0.02 1.54 -2.67 0.98 0.00 0.00 173.24 173.30 2jop n TRP 28 N 1.36 0.52 0.26 5.02 4.27 -1.26 -1.20 117.44 126.42 2jop n TRP 28 Ca -0.20 0.24 0.12 0.00 -3.89 0.00 0.00 57.50 53.76 2jop n TRP 28 Cb 0.54 -0.88 0.24 0.00 -1.36 0.00 0.00 31.31 29.85 2jop n TRP 28 CO 0.00 0.00 0.00 2.48 -2.29 0.00 0.00 177.69 177.88 2jop n TYR 29 N -2.00 0.56 -2.35 -2.67 4.11 -1.26 -4.58 117.16 108.98 2jop n TYR 29 Ca 0.01 -0.28 -0.40 0.00 -0.00 0.00 0.00 57.90 57.22 2jop n TYR 29 Cb 0.12 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.42 2jop n TYR 29 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 2jop s ASP 30 N -1.41 7.05 0.39 9.48 1.01 -0.34 -4.94 116.67 127.90 2jop s ASP 30 Ca 0.40 2.41 0.07 0.00 0.71 0.00 0.00 52.55 56.13 2jop s ASP 30 Cb 0.23 -2.63 0.78 0.00 1.01 0.00 0.00 42.92 42.31 2jop s ASP 30 CO 0.32 -0.31 1.99 1.55 0.21 0.00 0.00 175.17 178.93 2jop h PRO 31 N 3.57 0.50 0.00 8.23 0.13 -1.91 -2.26 132.00 140.26 2jop h PRO 31 Ca -0.48 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2jop h PRO 31 Cb 1.22 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2jop h PRO 31 CO 0.66 0.41 -0.70 -0.40 -0.23 0.00 0.00 178.00 177.74 2jop n ASP 32 N -4.40 0.62 -4.66 1.44 5.75 -1.26 -4.85 116.55 109.20 2jop n ASP 32 Ca 0.02 -0.34 -0.43 0.00 -0.01 0.00 0.00 54.79 54.04 2jop n ASP 32 Cb 0.13 0.48 -0.02 0.00 -1.03 0.00 0.00 41.12 40.68 2jop n ASP 32 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2jop s PHE 33 N -3.05 3.21 -0.26 2.11 2.19 -0.85 -4.99 117.98 116.33 2jop s PHE 33 Ca 0.09 1.33 -0.17 0.00 0.33 0.00 0.00 56.93 58.51 2jop s PHE 33 Cb 0.16 -3.40 -0.03 0.00 -1.31 0.00 0.00 43.02 38.44 2jop s PHE 33 CO 0.75 -0.75 0.47 -1.14 1.83 0.00 0.00 175.22 176.38 2jop s GLN 34 N 3.36 4.05 0.04 10.12 0.74 -1.26 -4.77 119.66 131.93 2jop s GLN 34 Ca 0.46 0.23 -0.12 0.00 0.05 0.00 0.00 55.36 55.98 2jop s GLN 34 Cb -0.16 -3.65 0.01 0.00 1.10 0.00 0.00 33.01 30.31 2jop s GLN 34 CO 0.09 -0.33 0.25 0.00 -0.55 0.00 0.00 175.29 174.76 2jop s ALA 35 N 2.23 -0.55 -0.02 1.58 0.00 -1.26 -1.50 121.76 122.24 2jop s ALA 35 Ca 0.19 -0.09 -0.16 0.00 0.00 0.00 0.00 51.96 51.90 2jop s ALA 35 Cb -0.16 0.27 0.05 0.00 0.00 0.00 0.00 23.12 23.29 2jop s ALA 35 CO 0.09 -0.37 0.72 2.89 0.00 0.00 0.00 175.76 179.09 2jop n ARG 36 N 0.72 0.07 -2.55 0.00 0.00 -0.58 -4.90 116.66 109.41 2jop n ARG 36 Ca -0.19 -0.38 -0.30 0.00 -0.00 0.00 0.00 57.85 56.98 2jop n ARG 36 Cb 0.59 0.66 -0.02 0.00 -0.00 0.00 0.00 32.46 33.69 2jop n ARG 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2jop s LEU 37 N 0.00 3.64 0.26 2.89 1.43 -1.26 0.03 118.68 125.67 2jop s LEU 37 Ca 0.17 1.22 -0.30 0.00 -1.03 0.00 0.00 54.13 54.19 2jop s LEU 37 Cb -0.00 -4.16 -0.09 0.00 0.03 0.00 0.00 46.19 41.97 2jop s LEU 37 CO -0.01 -0.56 1.24 0.42 0.23 0.00 0.00 176.35 177.68 2jop s THR 38 N -2.64 3.18 -0.62 5.49 -4.23 0.81 -4.70 115.64 112.93 2jop s THR 38 Ca 0.52 1.09 -0.26 0.00 -1.18 0.00 0.00 61.69 61.86 2jop s THR 38 Cb -0.10 -3.69 -0.07 0.00 1.34 0.00 0.00 72.50 69.97 2jop s THR 38 CO 0.38 0.22 2.24 0.00 -0.54 0.00 0.00 174.62 176.92 2jop s ARG 39 N -0.96 2.16 0.00 3.99 1.70 -1.26 -4.55 118.95 120.03 2jop s ARG 39 Ca 0.51 0.88 0.00 0.00 -0.47 0.00 0.00 55.73 56.64 2jop s ARG 39 Cb -0.36 -4.63 0.00 0.00 -0.57 0.00 0.00 34.95 29.40 2jop s ARG 39 CO 0.43 -3.41 0.00 -1.13 -1.08 0.00 0.00 175.30 170.11 2jop n SER 40 N 15.59 0.00 0.00 -2.89 3.41 -1.26 -5.04 113.62 123.42 2jop n SER 40 Ca 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 2jop n SER 40 Cb 0.51 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 2jop n SER 40 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2jop n ASN 41 N -1.49 0.14 -4.79 4.04 4.13 -1.26 -5.08 115.26 110.95 2jop n ASN 41 Ca 0.00 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 55.90 2jop n ASN 41 Cb 0.00 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.17 2jop n ASN 41 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2jop s SER 42 N -4.45 6.13 0.00 6.41 0.15 -1.26 -4.95 113.70 115.73 2jop s SER 42 Ca 0.00 0.33 0.19 0.00 0.70 0.00 0.00 55.95 57.17 2jop s SER 42 Cb 0.00 -2.00 0.95 0.00 -1.71 0.00 0.00 66.02 63.26 2jop s SER 42 CO 0.00 0.32 1.60 2.29 1.20 0.00 0.00 173.24 178.65 2jop n LYS 43 N 2.58 0.24 -0.35 5.44 2.85 -1.26 -2.51 118.16 125.15 2jop n LYS 43 Ca -0.18 0.11 0.07 0.00 -1.05 0.00 0.00 58.31 57.26 2jop n LYS 43 Cb 0.54 -1.50 0.14 0.00 -0.65 0.00 0.00 35.03 33.55 2jop n LYS 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2jop s GLN 45 N -2.47 0.51 0.00 0.00 0.74 -1.04 -0.30 119.66 117.10 2jop s GLN 45 Ca 0.30 1.12 0.00 0.00 0.05 0.00 0.00 55.36 56.82 2jop s GLN 45 Cb 0.28 0.29 0.00 0.00 1.10 0.00 0.00 33.01 34.67 2jop s GLN 45 CO -0.01 -0.18 0.00 0.41 -0.55 0.00 0.00 175.29 174.95 2jop n GLY 46 N 4.76 -0.73 3.81 2.59 0.00 -0.31 -4.07 105.19 111.24 2jop n GLY 46 Ca -0.17 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.28 2jop n GLY 46 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jop s GLN 47 N -2.00 2.83 -0.23 1.61 -1.52 -1.26 -2.28 119.66 116.80 2jop s GLN 47 Ca 0.00 1.02 -0.27 0.00 -1.95 0.00 0.00 55.36 54.16 2jop s GLN 47 Cb 0.00 -1.97 0.00 0.00 -0.22 0.00 0.00 33.01 30.82 2jop s GLN 47 CO 0.00 -1.19 0.95 -1.17 -0.25 0.00 0.00 175.29 173.63 2jop s LEU 48 N -5.53 4.09 -0.29 2.90 2.96 -1.26 -0.14 118.68 121.42 2jop s LEU 48 Ca 0.59 1.24 -0.02 0.00 -0.22 0.00 0.00 54.13 55.72 2jop s LEU 48 Cb -0.15 -3.39 0.04 0.00 0.50 0.00 0.00 46.19 43.19 2jop s LEU 48 CO 0.54 -0.60 -0.01 -0.70 -1.32 0.00 0.00 176.35 174.26 2jop s GLU 49 N 3.03 2.62 -0.01 1.98 2.12 0.10 -0.83 118.70 127.72 2jop s GLU 49 Ca 0.40 -1.14 0.07 0.00 0.36 0.00 0.00 54.97 54.67 2jop s GLU 49 Cb -0.15 -3.15 -0.02 0.00 0.26 0.00 0.00 34.13 31.07 2jop s GLU 49 CO 0.07 -0.54 -0.23 0.14 -0.54 0.00 0.00 175.26 174.16 2jop s VAL 50 N 1.30 1.79 -0.44 3.70 -7.23 -1.05 -1.53 120.40 116.95 2jop s VAL 50 Ca -0.03 -1.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.97 2jop s VAL 50 Cb -0.19 -1.50 0.04 0.00 0.56 0.00 0.00 36.38 35.29 2jop s VAL 50 CO -0.02 0.48 0.46 -0.47 -0.31 0.00 0.00 175.10 175.24 2jop s TYR 51 N -0.56 3.16 -0.25 2.82 5.04 -0.56 -0.17 117.35 126.83 2jop s TYR 51 Ca 0.09 -0.49 -0.04 0.00 -2.44 0.00 0.00 57.07 54.19 2jop s TYR 51 Cb -0.09 -3.03 0.09 0.00 0.35 0.00 0.00 41.96 39.28 2jop s TYR 51 CO -0.01 -0.77 0.10 -0.48 -1.34 0.00 0.00 175.55 173.06 2jop s LEU 52 N 2.13 0.88 0.00 6.97 -0.00 -0.87 -4.50 118.68 123.28 2jop s LEU 52 Ca 0.11 -1.13 0.00 0.00 -0.00 0.00 0.00 54.13 53.11 2jop s LEU 52 Cb -0.19 -0.45 0.00 0.00 -0.00 0.00 0.00 46.19 45.56 2jop s LEU 52 CO 0.12 -0.40 0.00 1.17 -0.00 0.00 0.00 176.35 177.25 2jop n LYS 53 N 5.16 0.00 -0.00 1.48 0.00 -1.26 -2.47 118.16 121.07 2jop n LYS 53 Ca -0.06 0.00 0.01 0.00 0.00 0.00 0.00 58.31 58.26 2jop n LYS 53 Cb 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.45 2jop n LYS 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2jop n ASP 54 N 0.66 2.24 -3.61 3.14 5.75 -1.26 -5.06 116.55 118.42 2jop n ASP 54 Ca 0.00 -0.28 -0.11 0.00 -0.01 0.00 0.00 54.79 54.39 2jop n ASP 54 Cb 0.00 1.06 -0.06 0.00 -1.03 0.00 0.00 41.12 41.09 2jop n ASP 54 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2jop s GLY 55 N -1.79 -0.28 -1.12 6.12 0.00 -1.03 -5.02 107.32 104.20 2jop s GLY 55 Ca 0.00 2.25 -0.23 0.00 0.00 0.00 0.00 44.72 46.74 2jop s GLY 55 CO 0.11 1.48 1.92 -0.98 0.00 0.00 0.00 173.10 175.63 2jop s TRP 56 N -0.32 1.98 -0.43 1.90 0.52 -1.26 -2.06 118.94 119.27 2jop s TRP 56 Ca -0.00 0.36 -0.29 0.00 0.02 0.00 0.00 56.10 56.19 2jop s TRP 56 Cb -0.03 -4.07 0.01 0.00 -1.15 0.00 0.00 33.47 28.23 2jop s TRP 56 CO -0.01 -1.37 1.43 -1.01 0.02 0.00 0.00 176.95 176.00 2jop s HIS 57 N 10.31 2.36 -0.59 -1.98 3.76 0.76 -4.72 115.29 125.19 2jop s HIS 57 Ca 0.67 0.65 -0.27 0.00 -0.15 0.00 0.00 55.06 55.97 2jop s HIS 57 Cb -0.02 -4.32 -0.02 0.00 1.11 0.00 0.00 32.58 29.34 2jop s HIS 57 CO 0.09 -2.01 1.84 -1.64 -0.85 0.00 0.00 174.74 172.17 2jop s MET 58 N 5.05 2.70 0.53 1.40 -1.94 -1.26 -2.52 119.30 123.25 2jop s MET 58 Ca 0.61 0.65 -0.00 0.00 -1.71 0.00 0.00 55.69 55.24 2jop s MET 58 Cb -0.13 -4.37 0.02 0.00 2.01 0.00 0.00 34.83 32.36 2jop s MET 58 CO 0.32 -2.65 0.76 0.14 -0.01 0.00 0.00 175.02 173.59 2jop s VAL 59 N 8.81 3.20 -0.57 -6.03 -7.23 -0.01 -0.43 120.40 118.15 2jop s VAL 59 Ca 0.67 -0.52 0.10 0.00 -1.81 0.00 0.00 61.98 60.43 2jop s VAL 59 Cb -0.13 -3.21 0.58 0.00 0.56 0.00 0.00 36.38 34.18 2jop s VAL 59 CO 0.22 -0.16 1.40 0.00 -0.31 0.00 0.00 175.10 176.24 2jop n SER 61 N 0.49 0.00 -0.35 0.00 7.64 -1.26 -3.57 113.62 116.57 2jop n SER 61 Ca 0.20 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.14 2jop n SER 61 Cb 0.90 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 64.36 2jop n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jop n GLN 62 N 0.00 1.45 -0.59 1.43 -0.00 -1.26 -4.90 117.38 113.51 2jop n GLN 62 Ca 0.00 -0.70 -0.30 0.00 -0.00 0.00 0.00 57.00 56.00 2jop n GLN 62 Cb 0.00 -1.25 0.21 0.00 -0.00 0.00 0.00 30.24 29.19 2jop n GLN 62 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2jop n SER 63 N -0.01 -1.57 0.00 2.61 7.64 -1.26 -1.50 113.62 119.53 2jop n SER 63 Ca 0.11 0.01 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2jop n SER 63 Cb 0.20 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 2jop n SER 63 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2jop n TRP 64 N -4.57 0.00 0.18 1.43 8.01 0.61 -4.23 117.44 118.87 2jop n TRP 64 Ca 0.04 0.00 -0.15 0.00 -1.31 0.00 0.00 57.50 56.09 2jop n TRP 64 Cb 0.56 0.00 -0.08 0.00 -2.01 0.00 0.00 31.31 29.78 2jop n TRP 64 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.69 177.46 2jop h GLY 65 N 0.00 -0.41 -1.01 6.99 0.00 -1.71 -3.31 103.07 103.62 2jop h GLY 65 Ca 0.00 0.15 -0.40 0.00 0.00 0.00 0.00 47.33 47.09 2jop h GLY 65 CO 0.00 -0.15 -0.37 0.54 0.00 0.00 0.00 176.54 176.56 2jop n ARG 66 N -5.25 -1.36 0.00 4.80 1.74 -0.56 -4.88 116.66 111.15 2jop n ARG 66 Ca -0.10 1.17 -0.11 0.00 -0.77 0.00 0.00 57.85 58.04 2jop n ARG 66 Cb 0.19 -5.51 -0.05 0.00 -1.02 0.00 0.00 32.46 26.06 2jop n ARG 66 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 2jop h SER 67 N 0.00 0.07 -1.94 0.55 0.02 -1.89 -3.48 113.55 106.88 2jop h SER 67 Ca -0.40 0.00 0.15 0.00 -0.84 0.00 0.00 61.79 60.70 2jop h SER 67 Cb 1.27 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.77 2jop h SER 67 CO 0.58 0.05 0.49 -0.24 -1.14 0.00 0.00 176.83 176.57 2jop n SER 68 N -5.05 -1.19 -0.14 3.07 2.88 -1.26 -4.99 113.62 106.94 2jop n SER 68 Ca -0.05 -1.56 0.15 0.00 -1.33 0.00 0.00 58.87 56.08 2jop n SER 68 Cb 0.04 1.92 0.74 0.00 -0.75 0.00 0.00 64.21 66.16 2jop n SER 68 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2jop n LYS 69 N -0.57 1.00 -4.81 -1.46 4.01 -1.26 -4.75 118.16 110.32 2jop n LYS 69 Ca -0.00 -0.27 -0.24 0.00 -0.51 0.00 0.00 58.31 57.28 2jop n LYS 69 Cb 0.43 -1.49 -0.15 0.00 -0.51 0.00 0.00 35.03 33.30 2jop n LYS 69 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.40 175.15 2jop s GLN 70 N -2.19 1.38 -0.22 1.97 0.74 -1.26 -4.33 119.66 115.74 2jop s GLN 70 Ca 0.38 -0.62 0.00 0.00 0.05 0.00 0.00 55.36 55.18 2jop s GLN 70 Cb 0.21 -1.34 0.06 0.00 1.10 0.00 0.00 33.01 33.04 2jop s GLN 70 CO 0.40 0.37 -0.05 -1.58 -0.55 0.00 0.00 175.29 173.88 2jop s TRP 71 N -0.41 2.23 -0.49 1.67 0.52 -1.25 -4.97 118.94 116.24 2jop s TRP 71 Ca 0.07 -1.62 0.08 0.00 0.02 0.00 0.00 56.10 54.65 2jop s TRP 71 Cb -0.07 -1.52 0.50 0.00 -1.15 0.00 0.00 33.47 31.24 2jop s TRP 71 CO -0.01 -0.75 1.33 -0.85 0.02 0.00 0.00 176.95 176.70 2jop n GLU 72 N 4.72 3.20 -3.61 4.98 0.28 -1.26 -4.27 120.64 124.67 2jop n GLU 72 Ca -0.12 -1.96 -0.29 0.00 -0.16 0.00 0.00 57.16 54.62 2jop n GLU 72 Cb 0.45 -1.95 -0.13 0.00 1.43 0.00 0.00 31.44 31.24 2jop n GLU 72 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2jop s ASP 73 N -0.48 3.42 -0.07 -1.84 -1.08 -1.26 -4.99 116.67 110.37 2jop s ASP 73 Ca 0.34 -2.31 0.10 0.00 -0.52 0.00 0.00 52.55 50.17 2jop s ASP 73 Cb 0.27 -0.74 0.42 0.00 -1.46 0.00 0.00 42.92 41.40 2jop s ASP 73 CO 0.09 -0.30 1.25 -0.81 0.52 0.00 0.00 175.17 175.92 2jop n PRO 74 N 3.93 2.63 0.00 4.34 -0.04 -1.26 -4.92 135.00 139.68 2jop n PRO 74 Ca 0.08 -1.65 0.00 0.00 -0.04 0.00 0.00 63.50 61.89 2jop n PRO 74 Cb 0.36 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 2jop n PRO 74 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2jop n SER 75 N 0.53 0.00 0.00 3.54 3.41 -1.26 -4.38 113.62 115.46 2jop n SER 75 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 2jop n SER 75 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 2jop n SER 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jop n GLN 76 N 0.00 0.00 -0.70 4.33 1.13 -1.26 -4.50 117.38 116.38 2jop n GLN 76 Ca 0.00 0.00 0.05 0.00 -1.94 0.00 0.00 57.00 55.11 2jop n GLN 76 Cb 0.00 -0.84 0.31 0.00 0.11 0.00 0.00 30.24 29.83 2jop n GLN 76 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jop n ALA 77 N 0.00 3.60 -0.23 -1.58 0.00 -1.26 -4.24 120.51 116.79 2jop n ALA 77 Ca 0.00 -1.49 -0.01 0.00 0.00 0.00 0.00 53.44 51.94 2jop n ALA 77 Cb 0.00 -1.10 0.10 0.00 0.00 0.00 0.00 19.45 18.45 2jop n ALA 77 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2jop h SER 78 N 3.06 0.54 -0.81 0.00 0.02 -1.84 -0.00 113.55 114.52 2jop h SER 78 Ca 0.01 0.03 0.15 0.00 -0.84 0.00 0.00 61.79 61.14 2jop h SER 78 Cb 1.66 -0.07 -0.10 0.00 0.14 0.00 0.00 62.40 64.03 2jop h SER 78 CO 0.39 0.34 0.38 0.50 -1.14 0.00 0.00 176.83 177.30 2jop h LYS 79 N 0.67 0.52 0.86 3.45 3.11 -1.89 -0.13 116.57 123.16 2jop h LYS 79 Ca 0.31 -0.03 -0.04 0.00 -2.81 0.00 0.00 60.65 58.07 2jop h LYS 79 Cb 0.21 -0.12 0.01 0.00 -1.00 0.00 0.00 32.23 31.33 2jop h LYS 79 CO -0.20 0.34 -0.41 0.28 -2.81 0.00 0.00 179.45 176.66 2jop h VAL 80 N 0.54 0.00 0.00 2.00 2.07 -1.24 0.10 116.25 119.72 2jop h VAL 80 Ca 0.45 -0.01 -0.10 0.00 0.82 0.00 0.00 66.70 67.86 2jop h VAL 80 Cb 0.67 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2jop h VAL 80 CO -0.39 0.00 -0.48 0.00 0.02 0.00 0.00 177.57 176.72 2jop h GLN 82 N 0.00 1.02 0.00 0.00 4.15 -0.91 1.00 115.11 120.37 2jop h GLN 82 Ca -0.00 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.18 2jop h GLN 82 Cb 1.05 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.60 2jop h GLN 82 CO 0.06 0.91 0.00 -0.09 -1.93 0.00 0.00 178.83 177.78 2jop h ARG 83 N 0.95 0.00 -0.70 1.69 2.43 -0.44 -1.25 114.38 117.05 2jop h ARG 83 Ca 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2jop h ARG 83 Cb 0.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2jop h ARG 83 CO -0.00 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.74 2jop n LEU 84 N -2.60 3.87 -4.22 3.80 4.32 -0.74 -4.97 117.00 116.47 2jop n LEU 84 Ca 0.03 -1.92 -0.30 0.00 -0.02 0.00 0.00 56.01 53.80 2jop n LEU 84 Cb 0.35 -0.47 -0.08 0.00 -1.62 0.00 0.00 43.42 41.61 2jop n LEU 84 CO 0.27 0.96 -0.41 -0.46 -1.22 0.00 0.00 177.39 176.53 2jop n ASN 85 N 1.63 0.43 -0.95 -1.43 0.23 0.13 -4.85 115.26 110.44 2jop n ASN 85 Ca 0.24 -1.21 0.08 0.00 -0.53 0.00 0.00 54.58 53.16 2jop n ASN 85 Cb 0.61 -1.97 0.23 0.00 -2.08 0.00 0.00 39.78 36.58 2jop n ASN 85 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jop n GLY 87 N 0.79 0.90 3.87 0.00 0.00 -1.26 -4.48 105.19 105.01 2jop n GLY 87 Ca 0.17 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 2jop n GLY 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jop s ASP 88 N -4.00 4.01 0.48 1.61 1.11 -1.26 -3.67 116.67 114.95 2jop s ASP 88 Ca 0.00 0.77 -0.21 0.00 0.18 0.00 0.00 52.55 53.28 2jop s ASP 88 Cb 0.00 -1.23 -0.07 0.00 1.07 0.00 0.00 42.92 42.69 2jop s ASP 88 CO 0.00 -2.22 1.10 -2.16 1.18 0.00 0.00 175.17 173.08 2jop s PRO 89 N -5.53 3.71 -0.37 8.23 0.04 -1.26 -0.49 135.00 139.33 2jop s PRO 89 Ca 0.64 1.58 -0.33 0.00 0.04 0.00 0.00 61.00 62.92 2jop s PRO 89 Cb -0.11 -2.23 -0.14 0.00 0.04 0.00 0.00 34.50 32.06 2jop s PRO 89 CO 0.51 -0.54 1.39 1.47 0.04 0.00 0.00 177.00 179.86 2jop n LEU 90 N -0.79 0.70 -4.78 -3.56 -0.00 -1.25 -0.49 117.00 106.83 2jop n LEU 90 Ca 0.09 0.66 -0.36 0.00 -0.00 0.00 0.00 56.01 56.40 2jop n LEU 90 Cb 0.50 -0.65 -0.03 0.00 -0.00 0.00 0.00 43.42 43.24 2jop n LEU 90 CO 0.43 -0.59 0.75 -0.55 -0.00 0.00 0.00 177.39 177.44 2jop s SER 91 N 3.41 6.49 -0.20 1.45 0.15 0.66 -4.39 113.70 121.28 2jop s SER 91 Ca 0.83 2.08 -0.02 0.00 0.70 0.00 0.00 55.95 59.54 2jop s SER 91 Cb -1.10 -2.58 -0.00 0.00 -1.71 0.00 0.00 66.02 60.63 2jop s SER 91 CO 0.53 -0.68 -0.10 -0.22 1.20 0.00 0.00 173.24 173.97 2jop s LEU 92 N -2.96 2.64 0.06 3.45 2.96 -1.26 -0.54 118.68 123.04 2jop s LEU 92 Ca 0.62 -0.46 -0.22 0.00 -0.22 0.00 0.00 54.13 53.85 2jop s LEU 92 Cb -0.22 -1.64 0.05 0.00 0.50 0.00 0.00 46.19 44.87 2jop s LEU 92 CO 0.28 0.01 0.52 -0.83 -1.32 0.00 0.00 176.35 175.00 2jop s GLY 93 N 1.29 -0.43 -0.07 7.98 0.00 -0.73 -3.74 107.32 111.62 2jop s GLY 93 Ca 0.03 0.53 -0.35 0.00 0.00 0.00 0.00 44.72 44.93 2jop s GLY 93 CO -0.05 0.23 1.77 -1.05 0.00 0.00 0.00 173.10 174.00 2jop n PRO 94 N 0.28 1.93 -0.74 2.90 -0.02 -1.26 -0.10 135.00 137.98 2jop n PRO 94 Ca -0.18 0.70 -0.01 0.00 -2.02 0.00 0.00 63.50 62.00 2jop n PRO 94 Cb 0.61 -2.49 0.25 0.00 -0.02 0.00 0.00 33.50 31.85 2jop n PRO 94 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2jop n PHE 95 N 5.62 1.49 0.00 6.00 7.35 0.57 -4.76 117.46 133.73 2jop n PHE 95 Ca 0.22 -1.22 0.00 0.00 -0.76 0.00 0.00 57.45 55.69 2jop n PHE 95 Cb 0.26 -0.50 0.00 0.00 0.35 0.00 0.00 39.48 39.59 2jop n PHE 95 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2jop n LEU 96 N -0.63 0.00 -3.70 -2.13 4.77 -1.24 -4.57 117.00 109.50 2jop n LEU 96 Ca 0.32 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.19 2jop n LEU 96 Cb 1.11 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 42.09 2jop n LEU 96 CO 0.26 0.00 0.07 -0.75 -1.33 0.00 0.00 177.39 175.64 2jop s LYS 97 N 0.00 0.42 0.22 3.23 2.20 -1.26 -4.09 119.74 120.46 2jop s LYS 97 Ca 0.00 0.78 0.00 0.00 -0.36 0.00 0.00 55.97 56.39 2jop s LYS 97 Cb 0.00 0.02 0.00 0.00 -1.51 0.00 0.00 37.83 36.34 2jop s LYS 97 CO 0.00 -0.14 0.00 2.41 -0.36 0.00 0.00 175.35 177.26 2jop n THR 98 N 4.07 0.00 -1.74 3.43 -1.04 -1.26 -5.07 114.28 112.67 2jop n THR 98 Ca -0.22 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.55 2jop n THR 98 Cb 0.56 -0.42 0.17 0.00 -1.82 0.00 0.00 70.33 68.81 2jop n THR 98 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jop n TYR 99 N -3.16 -3.99 -4.07 -1.42 0.18 -1.26 -5.07 117.16 98.38 2jop n TYR 99 Ca 0.00 -0.97 -0.32 0.00 1.88 0.00 0.00 57.90 58.49 2jop n TYR 99 Cb 0.00 -0.86 -0.16 0.00 -0.38 0.00 0.00 39.34 37.94 2jop n TYR 99 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 2jop s THR 100 N -3.40 1.84 -0.42 -3.48 2.01 -1.26 -5.02 115.64 105.91 2jop s THR 100 Ca 0.63 -0.86 -0.21 0.00 0.31 0.00 0.00 61.69 61.55 2jop s THR 100 Cb -0.02 -1.72 -0.21 0.00 0.01 0.00 0.00 72.50 70.56 2jop s THR 100 CO 0.44 0.45 1.73 -2.65 -0.69 0.00 0.00 174.62 173.90 2jop n PRO 101 N 4.68 0.86 0.02 4.92 -0.02 -1.26 -0.31 135.00 143.88 2jop n PRO 101 Ca -0.19 -1.36 0.00 0.00 -2.02 0.00 0.00 63.50 59.94 2jop n PRO 101 Cb 0.49 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 2jop n PRO 101 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2jop n GLN 102 N 6.87 0.00 0.08 -0.52 7.27 -1.23 -4.79 117.38 125.05 2jop n GLN 102 Ca 0.43 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 57.37 2jop n GLN 102 Cb 0.34 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 32.86 2jop n GLN 102 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2jop h SER 103 N 0.00 0.27 -3.79 1.69 4.64 -1.85 -3.43 113.55 111.07 2jop h SER 103 Ca 0.00 -0.30 -0.50 0.00 -0.47 0.00 0.00 61.79 60.53 2jop h SER 103 Cb 0.00 -0.09 0.04 0.00 -0.31 0.00 0.00 62.40 62.05 2jop h SER 103 CO 0.00 1.24 0.20 -0.44 -0.87 0.00 0.00 176.83 176.95 2jop s SER 104 N -6.95 6.24 0.24 4.97 0.01 0.58 -4.78 113.70 114.00 2jop s SER 104 Ca -0.03 1.06 0.04 0.00 1.31 0.00 0.00 55.95 58.33 2jop s SER 104 Cb 0.08 -2.30 -0.05 0.00 0.21 0.00 0.00 66.02 63.96 2jop s SER 104 CO 0.86 -0.67 -0.00 0.27 0.41 0.00 0.00 173.24 174.11 2jop s ILE 105 N -2.87 1.07 -0.20 1.44 -5.25 0.43 -1.29 121.20 114.52 2jop s ILE 105 Ca 0.50 -2.04 0.01 0.00 -0.99 0.00 0.00 60.65 58.13 2jop s ILE 105 Cb -0.10 -2.37 0.04 0.00 2.95 0.00 0.00 42.46 42.97 2jop s ILE 105 CO 0.47 -0.30 -0.11 -0.63 -1.79 0.00 0.00 174.94 172.58 2jop s ILE 106 N -3.40 1.73 0.58 8.37 1.01 0.10 -2.64 121.20 126.95 2jop s ILE 106 Ca 0.29 -1.07 -0.05 0.00 0.00 0.00 0.00 60.65 59.82 2jop s ILE 106 Cb 0.06 -1.79 0.01 0.00 0.01 0.00 0.00 42.46 40.75 2jop s ILE 106 CO 0.09 0.18 0.88 0.00 0.00 0.00 0.00 174.94 176.09 2jop s TYR 108 N -2.96 1.32 0.00 0.00 2.02 -1.26 -0.28 117.35 116.19 2jop s TYR 108 Ca 0.54 -1.27 0.00 0.00 -0.37 0.00 0.00 57.07 55.96 2jop s TYR 108 Cb -0.10 -0.72 0.00 0.00 -0.40 0.00 0.00 41.96 40.74 2jop s TYR 108 CO 0.44 -0.48 0.00 0.41 -1.57 0.00 0.00 175.55 174.35 2jop n GLY 109 N -0.35 0.11 3.75 0.71 0.00 -1.25 -4.62 105.19 103.54 2jop n GLY 109 Ca 0.01 -2.01 -0.39 0.00 0.00 0.00 0.00 46.02 43.63 2jop n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jop s GLN 110 N 0.00 4.32 -0.18 1.61 1.11 -1.26 -4.12 119.66 121.14 2jop s GLN 110 Ca 0.00 0.66 -0.28 0.00 0.01 0.00 0.00 55.36 55.75 2jop s GLN 110 Cb 0.00 -3.38 -0.06 0.00 -1.01 0.00 0.00 33.01 28.57 2jop s GLN 110 CO 0.00 0.28 2.19 -1.17 0.01 0.00 0.00 175.29 176.60 2jop s LEU 111 N 0.13 3.60 0.00 2.90 2.96 -1.26 -1.89 118.68 125.12 2jop s LEU 111 Ca 0.30 2.02 0.00 0.00 -0.22 0.00 0.00 54.13 56.24 2jop s LEU 111 Cb -0.17 -3.51 0.00 0.00 0.50 0.00 0.00 46.19 43.00 2jop s LEU 111 CO 0.15 -1.82 0.00 0.61 -1.32 0.00 0.00 176.35 173.97 2jop n GLY 112 N 5.57 0.75 2.81 7.98 0.00 -1.26 -5.07 105.19 115.97 2jop n GLY 112 Ca 0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.00 2jop n GLY 112 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jop s SER 113 N -0.68 4.03 -1.40 1.61 0.15 -0.79 -3.62 113.70 113.00 2jop s SER 113 Ca 0.00 -2.41 -0.08 0.00 0.70 0.00 0.00 55.95 54.16 2jop s SER 113 Cb 0.00 -1.20 0.07 0.00 -1.71 0.00 0.00 66.02 63.18 2jop s SER 113 CO 0.00 -0.31 2.44 0.49 1.20 0.00 0.00 173.24 177.06 2jop n PHE 114 N 3.85 2.65 -0.10 3.44 3.01 0.89 -4.52 117.46 126.69 2jop n PHE 114 Ca 0.05 -2.89 -0.22 0.00 1.01 0.00 0.00 57.45 55.40 2jop n PHE 114 Cb 0.37 -2.05 -0.12 0.00 -0.01 0.00 0.00 39.48 37.67 2jop n PHE 114 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2jop n SER 115 N 2.70 1.99 -3.67 4.37 3.41 -1.26 -4.62 113.62 116.54 2jop n SER 115 Ca 0.63 0.14 -0.13 0.00 -0.26 0.00 0.00 58.87 59.24 2jop n SER 115 Cb 0.27 -0.70 -0.07 0.00 -0.26 0.00 0.00 64.21 63.45 2jop n SER 115 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2jop s ASN 116 N -6.93 -0.30 0.03 4.04 3.84 -1.26 -5.03 114.94 109.34 2jop s ASN 116 Ca -0.32 0.07 0.00 0.00 0.21 0.00 0.00 52.86 52.83 2jop s ASN 116 Cb 0.09 0.41 -0.00 0.00 -0.55 0.00 0.00 41.25 41.21 2jop s ASN 116 CO 0.61 -0.62 0.04 0.00 -2.79 0.00 0.00 177.10 174.34 2jop s SER 118 N -1.23 0.53 0.44 0.00 0.15 -0.49 -4.95 113.70 108.16 2jop s SER 118 Ca 0.04 -1.20 -0.23 0.00 0.70 0.00 0.00 55.95 55.26 2jop s SER 118 Cb 0.00 0.25 -0.08 0.00 -1.71 0.00 0.00 66.02 64.48 2jop s SER 118 CO 0.03 -0.69 1.12 -1.00 1.20 0.00 0.00 173.24 173.90 2jop s HIS 119 N -3.95 3.01 -0.01 3.44 3.76 -1.26 0.01 115.29 120.29 2jop s HIS 119 Ca 0.24 1.57 -0.30 0.00 -0.15 0.00 0.00 55.06 56.42 2jop s HIS 119 Cb 0.07 -3.28 -0.04 0.00 1.11 0.00 0.00 32.58 30.45 2jop s HIS 119 CO 0.02 -1.17 1.16 0.45 -0.85 0.00 0.00 174.74 174.34 2jop s SER 120 N -1.47 7.12 0.00 1.40 0.15 -0.42 -4.34 113.70 116.14 2jop s SER 120 Ca 0.62 1.85 0.00 0.00 0.70 0.00 0.00 55.95 59.11 2jop s SER 120 Cb -0.26 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.49 2jop s SER 120 CO 0.31 -0.49 0.00 0.54 1.20 0.00 0.00 173.24 174.80 2jop n ARG 121 N 4.57 0.00 -2.68 5.44 5.12 -1.26 -3.54 116.66 124.30 2jop n ARG 121 Ca 0.09 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.98 2jop n ARG 121 Cb 0.47 0.00 0.03 0.00 -1.16 0.00 0.00 32.46 31.80 2jop n ARG 121 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2jop n ASN 122 N -0.97 -1.74 0.00 0.55 4.05 -1.26 -4.90 115.26 110.99 2jop n ASN 122 Ca 0.00 -1.23 0.00 0.00 0.45 0.00 0.00 54.58 53.80 2jop n ASN 122 Cb 0.00 0.88 0.00 0.00 1.23 0.00 0.00 39.78 41.89 2jop n ASN 122 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 2jop n ASP 123 N 2.62 0.00 -0.01 1.20 8.00 -1.26 -4.89 116.55 122.21 2jop n ASP 123 Ca 0.12 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.64 2jop n ASP 123 Cb 0.64 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.76 2jop n ASP 123 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2jop n MET 124 N 0.00 2.69 -3.90 -1.24 2.81 -1.26 -4.94 117.12 111.27 2jop n MET 124 Ca 0.00 -1.68 -0.35 0.00 -1.81 0.00 0.00 57.70 53.86 2jop n MET 124 Cb 0.00 -1.08 -0.14 0.00 -0.71 0.00 0.00 33.22 31.29 2jop n MET 124 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2jop n HIS 126 N 4.61 2.27 -3.23 0.00 -0.00 -1.26 -4.74 115.22 112.88 2jop n HIS 126 Ca -0.12 -2.57 -0.12 0.00 0.46 0.00 0.00 57.72 55.36 2jop n HIS 126 Cb 0.43 -1.29 0.01 0.00 -0.12 0.00 0.00 29.99 29.02 2jop n HIS 126 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2jop n SER 127 N 1.41 -6.90 -4.67 0.26 7.64 -1.26 -3.70 113.62 106.40 2jop n SER 127 Ca 0.28 -0.13 -0.42 0.00 1.01 0.00 0.00 58.87 59.60 2jop n SER 127 Cb 0.33 -4.07 -0.03 0.00 -1.01 0.00 0.00 64.21 59.43 2jop n SER 127 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jop s LEU 128 N -3.68 4.32 -0.30 -3.43 2.01 -1.23 -0.32 118.68 116.05 2jop s LEU 128 Ca 0.11 2.24 -0.10 0.00 0.01 0.00 0.00 54.13 56.39 2jop s LEU 128 Cb -0.02 -3.55 -0.02 0.00 0.01 0.00 0.00 46.19 42.61 2jop s LEU 128 CO 0.80 -0.86 0.16 -0.83 1.01 0.00 0.00 176.35 176.64 2jop s GLY 129 N 2.73 1.88 -0.07 -3.19 0.00 0.86 -4.46 107.32 105.07 2jop s GLY 129 Ca 0.70 -1.29 -0.19 0.00 0.00 0.00 0.00 44.72 43.94 2jop s GLY 129 CO 0.29 0.68 0.52 1.08 0.00 0.00 0.00 173.10 175.67 2jop s LEU 130 N 1.66 4.34 -0.21 0.66 1.43 -0.97 -1.77 118.68 123.83 2jop s LEU 130 Ca 0.06 0.96 -0.05 0.00 -1.03 0.00 0.00 54.13 54.07 2jop s LEU 130 Cb -0.17 -2.78 0.07 0.00 0.03 0.00 0.00 46.19 43.35 2jop s LEU 130 CO 0.08 0.06 0.10 0.28 0.23 0.00 0.00 176.35 177.09 2jop s THR 131 N 0.21 -0.06 -0.44 5.49 -1.32 0.30 -1.16 115.64 118.66 2jop s THR 131 Ca 0.28 -0.37 -0.41 0.00 -1.21 0.00 0.00 61.69 59.98 2jop s THR 131 Cb -0.16 -0.72 -0.16 0.00 -1.51 0.00 0.00 72.50 69.94 2jop s THR 131 CO 0.13 -0.43 2.10 0.00 -2.21 0.00 0.00 174.62 174.21 2jop n LEU 133 N 7.90 0.00 0.00 0.00 7.94 0.35 -4.61 117.00 128.58 2jop n LEU 133 Ca 0.47 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.37 2jop n LEU 133 Cb 0.06 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.01 2jop n LEU 133 CO 0.84 0.00 0.00 -1.84 -1.11 0.00 0.00 177.39 175.28