#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 4.36 0.02 2.89 1.02 -1.26 -4.91 118.68 120.80 2jop s LEU 26 Ca 0.00 2.79 -0.07 0.00 0.02 0.00 0.00 54.13 56.87 2jop s LEU 26 Cb 0.00 -3.70 -0.00 0.00 0.02 0.00 0.00 46.19 42.51 2jop s LEU 26 CO 0.00 -0.68 0.12 -0.94 0.02 0.00 0.00 176.35 174.87 2jop s SER 27 N -0.43 0.09 -0.01 2.29 1.04 -1.25 -0.32 113.70 115.10 2jop s SER 27 Ca 0.51 -0.36 0.01 0.00 0.48 0.00 0.00 55.95 56.60 2jop s SER 27 Cb -0.41 0.22 0.06 0.00 0.10 0.00 0.00 66.02 65.98 2jop s SER 27 CO 0.55 -0.44 0.75 -2.67 0.98 0.00 0.00 173.24 172.41 2jop n TRP 28 N 1.12 0.13 -1.60 5.02 4.27 -1.26 -1.96 117.44 123.15 2jop n TRP 28 Ca -0.21 -0.05 0.05 0.00 -3.89 0.00 0.00 57.50 53.40 2jop n TRP 28 Cb 0.57 -0.09 0.08 0.00 -1.36 0.00 0.00 31.31 30.51 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 -0.09 0.00 -3.44 -2.67 0.18 -1.26 -4.14 117.16 105.75 2jop n TYR 29 Ca 0.02 -0.59 -0.37 0.00 1.88 0.00 0.00 57.90 58.84 2jop n TYR 29 Cb 0.22 -0.12 -0.06 0.00 -0.38 0.00 0.00 39.34 39.00 2jop n TYR 29 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2jop s ASP 30 N -2.07 6.63 0.55 9.48 -1.08 -0.83 -4.70 116.67 124.65 2jop s ASP 30 Ca 0.19 0.75 0.32 0.00 -0.52 0.00 0.00 52.55 53.29 2jop s ASP 30 Cb 0.18 -2.24 1.55 0.00 -1.46 0.00 0.00 42.92 40.95 2jop s ASP 30 CO -0.01 0.11 2.07 1.55 0.52 0.00 0.00 175.17 179.42 2jop h PRO 31 N 6.20 0.00 -0.01 4.34 0.13 -1.89 -2.51 132.00 138.26 2jop h PRO 31 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2jop h PRO 31 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2jop h PRO 31 CO 0.72 0.08 -0.40 -0.25 -0.23 0.00 0.00 178.00 177.92 2jop n ASP 32 N -3.35 1.72 -4.77 1.44 8.00 -1.26 -4.97 116.55 113.36 2jop n ASP 32 Ca -0.01 -1.36 -0.39 0.00 0.71 0.00 0.00 54.79 53.74 2jop n ASP 32 Cb 0.25 0.49 -0.05 0.00 -0.02 0.00 0.00 41.12 41.79 2jop n ASP 32 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2jop s PHE 33 N -2.10 3.62 -0.34 1.24 5.36 -0.95 -5.02 117.98 119.79 2jop s PHE 33 Ca 0.15 1.75 -0.12 0.00 -0.96 0.00 0.00 56.93 57.74 2jop s PHE 33 Cb 0.15 -3.12 -0.01 0.00 -0.34 0.00 0.00 43.02 39.70 2jop s PHE 33 CO 0.47 -0.21 0.23 -0.65 -1.46 0.00 0.00 175.22 173.60 2jop s GLN 34 N -1.74 3.42 0.02 10.12 -0.21 -1.26 -4.93 119.66 125.08 2jop s GLN 34 Ca 0.48 -0.69 -0.15 0.00 0.02 0.00 0.00 55.36 55.02 2jop s GLN 34 Cb -0.26 -3.78 0.03 0.00 1.00 0.00 0.00 33.01 30.00 2jop s GLN 34 CO 0.33 -0.46 0.34 0.00 -2.12 0.00 0.00 175.29 173.37 2jop s ALA 35 N 1.70 -0.81 -0.00 6.09 0.00 -1.26 -1.31 121.76 126.16 2jop s ALA 35 Ca 0.06 0.23 -0.21 0.00 0.00 0.00 0.00 51.96 52.04 2jop s ALA 35 Cb -0.17 0.21 0.07 0.00 0.00 0.00 0.00 23.12 23.23 2jop s ALA 35 CO 0.10 -0.36 0.93 2.89 0.00 0.00 0.00 175.76 179.32 2jop n ARG 36 N 0.86 0.17 -4.47 0.00 1.85 -0.70 -4.84 116.66 109.52 2jop n ARG 36 Ca -0.20 -0.63 -0.34 0.00 -1.00 0.00 0.00 57.85 55.68 2jop n ARG 36 Cb 0.58 1.01 -0.11 0.00 -1.05 0.00 0.00 32.46 32.89 2jop n ARG 36 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2jop s LEU 37 N 0.00 3.35 0.00 2.89 1.43 -1.25 -0.23 118.68 124.87 2jop s LEU 37 Ca 0.22 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.36 2jop s LEU 37 Cb -0.01 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 2jop s LEU 37 CO -0.00 0.32 0.09 0.35 0.23 0.00 0.00 176.35 177.34 2jop n THR 38 N 2.54 0.00 -0.95 5.49 -2.24 -0.19 -4.30 114.28 114.63 2jop n THR 38 Ca -0.18 -1.26 0.00 0.00 -2.27 0.00 0.00 64.05 60.34 2jop n THR 38 Cb 0.53 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 2jop n THR 38 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2jop n ARG 39 N -0.46 -0.46 0.00 -0.78 5.12 -1.26 -2.14 116.66 116.68 2jop n ARG 39 Ca -0.02 0.11 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 2jop n ARG 39 Cb 0.32 -3.51 0.00 0.00 -1.16 0.00 0.00 32.46 28.11 2jop n ARG 39 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2jop n SER 40 N -0.23 0.00 0.00 0.55 2.88 -1.26 -4.94 113.62 110.62 2jop n SER 40 Ca 0.00 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.54 2jop n SER 40 Cb 0.11 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 2jop n SER 40 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2jop n ASN 41 N 0.00 0.00 -4.63 -3.46 3.02 -1.26 -4.90 115.26 104.03 2jop n ASN 41 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 2jop n ASN 41 Cb 0.36 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.50 2jop n ASN 41 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2jop s SER 42 N 0.00 6.17 0.29 6.41 1.04 -1.26 -4.85 113.70 121.51 2jop s SER 42 Ca 0.00 1.90 0.26 0.00 0.48 0.00 0.00 55.95 58.59 2jop s SER 42 Cb 0.00 -2.53 0.92 0.00 0.10 0.00 0.00 66.02 64.51 2jop s SER 42 CO 0.00 -1.39 1.76 0.07 0.98 0.00 0.00 173.24 174.66 2jop h LYS 43 N 11.76 0.00 -0.42 4.02 2.10 -1.91 -2.66 116.57 129.46 2jop h LYS 43 Ca -0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 2jop h LYS 43 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 2jop h LYS 43 CO 0.98 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 178.43 2jop s GLN 45 N -1.19 0.59 0.00 0.00 0.74 -1.00 -0.09 119.66 118.71 2jop s GLN 45 Ca 0.30 1.34 0.00 0.00 0.05 0.00 0.00 55.36 57.05 2jop s GLN 45 Cb 0.17 0.60 0.00 0.00 1.10 0.00 0.00 33.01 34.88 2jop s GLN 45 CO 0.18 -0.19 0.00 0.41 -0.55 0.00 0.00 175.29 175.15 2jop n GLY 46 N 5.10 -2.11 3.78 2.59 0.00 -0.38 -4.01 105.19 110.16 2jop n GLY 46 Ca -0.14 -1.43 -0.37 0.00 0.00 0.00 0.00 46.02 44.08 2jop n GLY 46 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jop s GLN 47 N -1.84 4.32 0.11 1.61 0.74 -0.91 -2.72 119.66 120.97 2jop s GLN 47 Ca 0.00 1.48 -0.31 0.00 0.05 0.00 0.00 55.36 56.59 2jop s GLN 47 Cb 0.00 -2.66 -0.07 0.00 1.10 0.00 0.00 33.01 31.38 2jop s GLN 47 CO 0.00 0.00 1.32 -1.17 -0.55 0.00 0.00 175.29 174.89 2jop s LEU 48 N -2.40 4.38 -0.12 3.68 2.96 -1.26 -1.02 118.68 124.90 2jop s LEU 48 Ca 0.55 2.24 -0.01 0.00 -0.22 0.00 0.00 54.13 56.69 2jop s LEU 48 Cb -0.22 -3.59 0.03 0.00 0.50 0.00 0.00 46.19 42.92 2jop s LEU 48 CO 0.27 -0.58 -0.04 -0.70 -1.32 0.00 0.00 176.35 173.99 2jop s GLU 49 N 0.90 1.14 -0.03 1.98 2.12 0.68 -0.22 118.70 125.27 2jop s GLU 49 Ca 0.62 -0.24 0.07 0.00 0.36 0.00 0.00 54.97 55.78 2jop s GLU 49 Cb -0.35 -1.58 -0.02 0.00 0.26 0.00 0.00 34.13 32.45 2jop s GLU 49 CO 0.31 -0.36 -0.25 0.14 -0.54 0.00 0.00 175.26 174.56 2jop s VAL 50 N 1.78 2.01 -0.41 3.70 -7.23 -0.59 -1.72 120.40 117.94 2jop s VAL 50 Ca 0.03 -1.07 -0.18 0.00 -1.81 0.00 0.00 61.98 58.95 2jop s VAL 50 Cb -0.14 -1.68 0.02 0.00 0.56 0.00 0.00 36.38 35.14 2jop s VAL 50 CO -0.07 0.57 0.48 -0.47 -0.31 0.00 0.00 175.10 175.30 2jop s TYR 51 N -0.43 3.15 -0.08 2.82 5.04 -0.43 -0.20 117.35 127.23 2jop s TYR 51 Ca 0.05 -0.22 -0.26 0.00 -2.44 0.00 0.00 57.07 54.19 2jop s TYR 51 Cb -0.11 -2.98 0.06 0.00 0.35 0.00 0.00 41.96 39.28 2jop s TYR 51 CO 0.01 -0.70 0.60 -0.48 -1.34 0.00 0.00 175.55 173.64 2jop s LEU 52 N 2.30 -0.32 -1.27 6.97 0.05 -0.81 -4.60 118.68 121.00 2jop s LEU 52 Ca 0.15 0.69 -0.05 0.00 0.05 0.00 0.00 54.13 54.97 2jop s LEU 52 Cb -0.16 2.23 0.03 0.00 -2.05 0.00 0.00 46.19 46.24 2jop s LEU 52 CO 0.15 -0.51 0.32 0.29 -0.55 0.00 0.00 176.35 176.05 2jop n LYS 53 N 1.30 -3.21 -1.11 1.48 5.02 -1.26 -1.00 118.16 119.38 2jop n LYS 53 Ca -0.19 0.62 -0.04 0.00 -2.02 0.00 0.00 58.31 56.68 2jop n LYS 53 Cb 0.57 -5.31 -0.02 0.00 -0.02 0.00 0.00 35.03 30.25 2jop n LYS 53 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2jop n ASP 54 N -2.15 -5.46 -4.55 4.39 5.68 -1.26 -4.95 116.55 108.25 2jop n ASP 54 Ca -0.09 0.10 -0.38 0.00 -0.50 0.00 0.00 54.79 53.92 2jop n ASP 54 Cb 0.59 -3.30 -0.11 0.00 -1.14 0.00 0.00 41.12 37.15 2jop n ASP 54 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2jop s GLY 55 N -2.18 1.90 -1.14 6.12 0.00 -0.17 -4.99 107.32 106.87 2jop s GLY 55 Ca 0.00 -1.14 -0.23 0.00 0.00 0.00 0.00 44.72 43.35 2jop s GLY 55 CO 0.00 0.64 1.92 -0.98 0.00 0.00 0.00 173.10 174.68 2jop s TRP 56 N 1.72 1.99 -0.91 1.90 0.52 -1.26 -1.92 118.94 120.97 2jop s TRP 56 Ca 0.07 0.35 -0.22 0.00 0.02 0.00 0.00 56.10 56.32 2jop s TRP 56 Cb -0.16 -4.07 0.08 0.00 -1.15 0.00 0.00 33.47 28.18 2jop s TRP 56 CO 0.09 -1.35 1.25 -1.01 0.02 0.00 0.00 176.95 175.95 2jop s HIS 57 N 10.34 2.75 -0.42 -1.98 3.76 0.72 -4.80 115.29 125.65 2jop s HIS 57 Ca 0.67 -0.93 -0.27 0.00 -0.15 0.00 0.00 55.06 54.38 2jop s HIS 57 Cb -0.02 -4.48 -0.03 0.00 1.11 0.00 0.00 32.58 29.17 2jop s HIS 57 CO 0.10 -1.75 1.93 0.00 -0.85 0.00 0.00 174.74 174.18 2jop s MET 58 N 4.07 2.95 0.34 1.40 0.23 -1.26 -1.54 119.30 125.49 2jop s MET 58 Ca 0.37 1.24 0.07 0.00 -1.03 0.00 0.00 55.69 56.34 2jop s MET 58 Cb -0.05 -4.32 -0.02 0.00 -1.53 0.00 0.00 34.83 28.91 2jop s MET 58 CO -0.05 -2.32 0.37 0.54 -2.03 0.00 0.00 175.02 171.53 2jop s VAL 59 N 8.35 3.70 -0.47 5.16 0.11 0.70 -1.62 120.40 136.32 2jop s VAL 59 Ca 0.80 -1.22 0.06 0.00 -2.93 0.00 0.00 61.98 58.70 2jop s VAL 59 Cb -0.20 -3.26 0.45 0.00 -1.53 0.00 0.00 36.38 31.84 2jop s VAL 59 CO 0.29 -0.16 1.31 0.00 -3.33 0.00 0.00 175.10 173.22 2jop n SER 61 N 0.12 0.00 0.00 0.00 2.88 -1.26 -1.34 113.62 114.02 2jop n SER 61 Ca 0.22 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.79 2jop n SER 61 Cb 0.91 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 64.60 2jop n SER 61 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jop n GLN 62 N 0.00 0.54 -0.72 -1.46 10.64 -1.26 -4.75 117.38 120.37 2jop n GLN 62 Ca 0.00 0.00 -0.29 0.00 -1.83 0.00 0.00 57.00 54.88 2jop n GLN 62 Cb 0.00 -1.22 0.25 0.00 -0.86 0.00 0.00 30.24 28.41 2jop n GLN 62 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 2jop s SER 63 N -1.70 0.79 0.00 2.61 0.01 -1.26 -1.67 113.70 112.49 2jop s SER 63 Ca 0.11 1.15 0.00 0.00 1.31 0.00 0.00 55.95 58.52 2jop s SER 63 Cb 0.05 -1.75 0.00 0.00 0.21 0.00 0.00 66.02 64.53 2jop s SER 63 CO 0.09 -4.26 0.00 0.79 0.41 0.00 0.00 173.24 170.26 2jop n TRP 64 N -4.92 0.00 0.05 2.43 8.01 0.15 -3.61 117.44 119.54 2jop n TRP 64 Ca 0.07 0.00 -0.05 0.00 -1.31 0.00 0.00 57.50 56.21 2jop n TRP 64 Cb 0.57 0.00 -0.10 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 0.00 -0.52 6.99 0.00 -1.85 -3.39 103.07 104.29 2jop h GLY 65 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 2jop h GLY 65 CO 0.00 0.00 -0.20 0.54 0.00 0.00 0.00 176.54 176.88 2jop n ARG 66 N -3.18 -1.19 0.01 4.80 5.12 -0.67 -4.89 116.66 116.65 2jop n ARG 66 Ca -0.05 0.85 -0.10 0.00 -1.93 0.00 0.00 57.85 56.62 2jop n ARG 66 Cb 0.92 -4.99 -0.03 0.00 -1.16 0.00 0.00 32.46 27.20 2jop n ARG 66 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 2jop h SER 67 N 0.00 -0.50 -2.71 0.55 0.02 -1.88 -3.46 113.55 105.57 2jop h SER 67 Ca -0.22 0.09 -0.41 0.00 -0.84 0.00 0.00 61.79 60.41 2jop h SER 67 Cb 0.93 0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.67 2jop h SER 67 CO 0.33 -0.21 -0.51 -1.20 -1.14 0.00 0.00 176.83 174.10 2jop n SER 68 N -5.30 -5.74 -4.57 3.07 7.64 -1.26 -4.96 113.62 102.49 2jop n SER 68 Ca -0.03 0.03 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 2jop n SER 68 Cb 0.22 -4.79 -0.08 0.00 -1.01 0.00 0.00 64.21 58.55 2jop n SER 68 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2jop s LYS 69 N -4.89 3.76 -0.23 1.43 1.02 -1.26 -5.04 119.74 114.53 2jop s LYS 69 Ca 0.00 -0.06 -0.24 0.00 0.02 0.00 0.00 55.97 55.69 2jop s LYS 69 Cb 0.00 -3.76 -0.01 0.00 -0.52 0.00 0.00 37.83 33.55 2jop s LYS 69 CO 0.00 -0.52 0.80 -0.65 -0.92 0.00 0.00 175.35 174.06 2jop s GLN 70 N 2.30 4.20 0.38 1.68 1.11 -1.26 -4.67 119.66 123.40 2jop s GLN 70 Ca 0.18 0.91 0.00 0.00 0.01 0.00 0.00 55.36 56.46 2jop s GLN 70 Cb -0.16 -3.63 0.00 0.00 -1.01 0.00 0.00 33.01 28.22 2jop s GLN 70 CO 0.12 -0.46 0.00 0.91 0.01 0.00 0.00 175.29 175.87 2jop n TRP 71 N 5.78 -3.34 0.00 0.91 7.02 0.12 -4.79 117.44 123.14 2jop n TRP 71 Ca 0.05 1.46 0.00 0.00 -1.02 0.00 0.00 57.50 57.99 2jop n TRP 71 Cb 0.48 -2.70 0.00 0.00 -2.42 0.00 0.00 31.31 26.67 2jop n TRP 71 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 2jop n GLU 72 N -3.68 0.00 -0.09 -0.99 -0.58 -1.26 -4.08 120.64 109.96 2jop n GLU 72 Ca 0.01 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.61 2jop n GLU 72 Cb 0.54 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.34 2jop n GLU 72 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2jop h ASP 73 N 0.00 0.00 0.00 1.62 3.58 -1.90 -3.46 116.42 116.26 2jop h ASP 73 Ca 0.00 -0.30 -0.39 0.00 0.42 0.00 0.00 57.03 56.75 2jop h ASP 73 Cb 0.00 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 40.96 2jop h ASP 73 CO 0.00 1.12 1.63 -2.65 -2.88 0.00 0.00 179.24 176.46 2jop n PRO 74 N -4.53 0.00 -0.68 0.28 -0.02 -1.26 -4.63 135.00 124.15 2jop n PRO 74 Ca -0.19 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.28 2jop n PRO 74 Cb 0.47 -1.15 -0.00 0.00 -0.02 0.00 0.00 33.50 32.79 2jop n PRO 74 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2jop n SER 75 N 7.58 0.02 -1.19 2.55 7.64 -1.26 -4.51 113.62 124.45 2jop n SER 75 Ca 0.58 -1.65 -0.02 0.00 1.01 0.00 0.00 58.87 58.79 2jop n SER 75 Cb 0.06 -0.09 0.11 0.00 -1.01 0.00 0.00 64.21 63.28 2jop n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jop n GLN 76 N 0.06 2.00 -1.08 1.43 1.13 -1.26 -3.61 117.38 116.05 2jop n GLN 76 Ca -0.02 -1.11 0.03 0.00 -1.94 0.00 0.00 57.00 53.95 2jop n GLN 76 Cb 0.69 -1.63 0.02 0.00 0.11 0.00 0.00 30.24 29.44 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 0.09 2.27 -0.32 -1.58 0.00 -1.26 -4.24 120.51 115.47 2jop n ALA 77 Ca 0.15 -1.90 0.16 0.00 0.00 0.00 0.00 53.44 51.84 2jop n ALA 77 Cb 0.74 -0.63 0.39 0.00 0.00 0.00 0.00 19.45 19.94 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 0.62 0.65 -0.08 0.00 0.02 -1.80 -2.04 113.55 110.92 2jop h SER 78 Ca -0.13 0.08 -0.14 0.00 -0.84 0.00 0.00 61.79 60.75 2jop h SER 78 Cb 1.67 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 64.17 2jop h SER 78 CO 0.06 0.23 -0.44 0.50 -1.14 0.00 0.00 176.83 176.04 2jop h LYS 79 N 0.64 0.63 -0.07 3.45 1.63 -1.84 -0.01 116.57 120.99 2jop h LYS 79 Ca 0.55 -0.34 -0.24 0.00 -0.85 0.00 0.00 60.65 59.77 2jop h LYS 79 Cb 1.03 0.02 0.01 0.00 -0.60 0.00 0.00 32.23 32.69 2jop h LYS 79 CO -0.31 0.94 -0.91 -0.39 -3.45 0.00 0.00 179.45 175.32 2jop h VAL 80 N 0.51 1.28 0.00 2.00 -1.51 -1.53 0.49 116.25 117.49 2jop h VAL 80 Ca 0.04 -2.13 -0.13 0.00 -1.23 0.00 0.00 66.70 63.25 2jop h VAL 80 Cb 0.96 2.19 -0.02 0.00 -2.13 0.00 0.00 31.29 32.30 2jop h VAL 80 CO 0.09 0.66 -0.60 0.00 -1.23 0.00 0.00 177.57 176.49 2jop h GLN 82 N 0.00 0.70 0.00 0.00 4.15 -0.80 0.21 115.11 119.37 2jop h GLN 82 Ca -0.01 -0.20 -0.05 0.00 0.77 0.00 0.00 58.65 59.17 2jop h GLN 82 Cb 1.25 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 2jop h GLN 82 CO 0.08 0.75 -0.22 -0.09 -1.93 0.00 0.00 178.83 177.42 2jop h ARG 83 N 0.65 0.00 -0.45 1.69 9.65 -0.37 -1.11 114.38 124.45 2jop h ARG 83 Ca 0.12 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.00 2jop h ARG 83 Cb 0.48 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 2jop h ARG 83 CO 0.02 0.22 0.00 1.28 2.80 0.00 0.00 179.97 184.29 2jop n LEU 84 N -4.06 2.44 -4.34 3.80 4.77 -0.57 -4.92 117.00 114.11 2jop n LEU 84 Ca -0.02 -1.21 -0.38 0.00 -0.03 0.00 0.00 56.01 54.37 2jop n LEU 84 Cb 0.29 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 41.03 2jop n LEU 84 CO 0.35 0.60 -0.12 -0.46 -1.33 0.00 0.00 177.39 176.44 2jop n ASN 85 N 0.83 -2.34 -0.00 -1.43 6.94 -0.42 -4.82 115.26 114.02 2jop n ASN 85 Ca 0.15 -1.12 0.10 0.00 -0.02 0.00 0.00 54.58 53.69 2jop n ASN 85 Cb 0.39 -2.25 -0.13 0.00 -2.36 0.00 0.00 39.78 35.42 2jop n ASN 85 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jop n GLY 87 N 1.44 0.82 3.87 0.00 0.00 -1.19 -4.63 105.19 105.51 2jop n GLY 87 Ca 0.02 -1.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 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 4.15 0.51 1.61 1.11 -1.26 -2.77 116.67 116.02 2jop s ASP 88 Ca 0.00 0.80 -0.19 0.00 0.18 0.00 0.00 52.55 53.34 2jop s ASP 88 Cb 0.00 -1.28 -0.07 0.00 1.07 0.00 0.00 42.92 42.63 2jop s ASP 88 CO 0.00 -2.13 1.04 -2.16 1.18 0.00 0.00 175.17 173.09 2jop s PRO 89 N -5.52 3.70 -0.41 8.23 0.04 -1.26 -1.02 135.00 138.76 2jop s PRO 89 Ca 0.63 1.28 -0.37 0.00 0.04 0.00 0.00 61.00 62.58 2jop s PRO 89 Cb -0.12 -2.08 -0.16 0.00 0.04 0.00 0.00 34.50 32.18 2jop s PRO 89 CO 0.50 -0.50 1.59 1.47 0.04 0.00 0.00 177.00 180.10 2jop n LEU 90 N -1.29 0.74 -4.70 -3.56 -0.00 -1.23 -0.65 117.00 106.32 2jop n LEU 90 Ca 0.09 0.70 -0.42 0.00 -0.00 0.00 0.00 56.01 56.38 2jop n LEU 90 Cb 0.53 -0.73 -0.03 0.00 -0.00 0.00 0.00 43.42 43.19 2jop n LEU 90 CO 0.42 -0.65 1.40 -0.94 -0.00 0.00 0.00 177.39 177.62 2jop s SER 91 N 4.03 6.47 -0.14 1.45 1.04 0.46 -4.42 113.70 122.58 2jop s SER 91 Ca 0.93 2.71 -0.16 0.00 0.48 0.00 0.00 55.95 59.92 2jop s SER 91 Cb -1.22 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 62.28 2jop s SER 91 CO 0.58 -0.96 0.38 -0.22 0.98 0.00 0.00 173.24 174.01 2jop s LEU 92 N 2.22 4.26 0.00 2.42 0.20 -1.26 -1.81 118.68 124.71 2jop s LEU 92 Ca 0.77 0.65 0.00 0.00 0.69 0.00 0.00 54.13 56.24 2jop s LEU 92 Cb -0.45 -2.53 0.00 0.00 -0.43 0.00 0.00 46.19 42.78 2jop s LEU 92 CO 0.34 0.05 0.00 0.61 -0.29 0.00 0.00 176.35 177.06 2jop n GLY 93 N 3.34 3.82 3.90 7.98 0.00 -0.07 0.14 105.19 124.29 2jop n GLY 93 Ca -0.10 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 2jop n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jop s PRO 94 N 2.11 3.58 0.29 1.61 0.04 -1.26 0.11 135.00 141.48 2jop s PRO 94 Ca 0.00 -0.14 0.07 0.00 0.04 0.00 0.00 61.00 60.97 2jop s PRO 94 Cb 0.00 -2.95 -0.03 0.00 0.04 0.00 0.00 34.50 31.56 2jop s PRO 94 CO 0.00 0.55 0.29 0.12 0.04 0.00 0.00 177.00 177.99 2jop s PHE 95 N -1.52 3.08 -1.56 0.56 5.36 -0.35 -3.89 117.98 119.66 2jop s PHE 95 Ca 0.36 -0.18 0.17 0.00 -0.96 0.00 0.00 56.93 56.31 2jop s PHE 95 Cb -0.13 -1.64 0.58 0.00 -0.34 0.00 0.00 43.02 41.49 2jop s PHE 95 CO 0.23 0.32 1.47 1.28 -1.46 0.00 0.00 175.22 177.06 2jop n LEU 96 N -1.34 3.72 -4.24 6.12 4.32 -1.26 -4.85 117.00 119.47 2jop n LEU 96 Ca -0.05 -1.87 -0.20 0.00 -0.02 0.00 0.00 56.01 53.87 2jop n LEU 96 Cb 0.58 -0.48 -0.12 0.00 -1.62 0.00 0.00 43.42 41.79 2jop n LEU 96 CO 0.43 0.75 -0.47 -0.54 -1.22 0.00 0.00 177.39 176.34 2jop s LYS 97 N -1.53 1.02 -0.06 3.23 1.02 -1.26 -5.14 119.74 117.03 2jop s LYS 97 Ca 0.42 -1.17 -0.13 0.00 0.02 0.00 0.00 55.97 55.10 2jop s LYS 97 Cb 0.25 -1.04 -0.05 0.00 -0.52 0.00 0.00 37.83 36.47 2jop s LYS 97 CO 0.24 0.22 0.34 0.99 -0.92 0.00 0.00 175.35 176.22 2jop s THR 98 N -1.70 5.18 0.52 2.17 2.01 -1.26 -4.63 115.64 117.92 2jop s THR 98 Ca 0.06 0.68 -0.20 0.00 0.31 0.00 0.00 61.69 62.55 2jop s THR 98 Cb -0.07 -3.65 -0.07 0.00 0.01 0.00 0.00 72.50 68.72 2jop s THR 98 CO 0.04 0.54 1.07 -0.72 -0.69 0.00 0.00 174.62 174.85 2jop s TYR 99 N -0.69 2.88 -0.17 4.92 1.13 -1.26 -5.03 117.35 119.12 2jop s TYR 99 Ca 0.21 1.56 -0.05 0.00 -1.41 0.00 0.00 57.07 57.38 2jop s TYR 99 Cb -0.15 -3.14 -0.03 0.00 -1.10 0.00 0.00 41.96 37.54 2jop s TYR 99 CO 0.10 -1.12 0.01 0.99 -2.51 0.00 0.00 175.55 173.01 2jop s THR 100 N -1.95 4.30 -0.15 -3.49 2.01 -1.26 -4.98 115.64 110.12 2jop s THR 100 Ca 0.69 -0.21 -0.03 0.00 0.31 0.00 0.00 61.69 62.45 2jop s THR 100 Cb -0.19 -2.91 -0.09 0.00 0.01 0.00 0.00 72.50 69.32 2jop s THR 100 CO 0.24 0.48 1.77 -0.81 -0.69 0.00 0.00 174.62 175.60 2jop n PRO 101 N 3.55 0.96 0.05 4.92 -0.04 -1.26 -0.97 135.00 142.22 2jop n PRO 101 Ca -0.17 -0.58 0.00 0.00 -0.04 0.00 0.00 63.50 62.71 2jop n PRO 101 Cb 0.52 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 2jop n PRO 101 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2jop n GLN 102 N 3.17 0.00 0.03 0.54 7.27 -1.26 -4.84 117.38 122.30 2jop n GLN 102 Ca 0.21 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 57.19 2jop n GLN 102 Cb 0.31 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 32.83 2jop n GLN 102 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 2jop h SER 103 N 0.00 0.06 -2.98 1.69 0.02 -1.95 -3.46 113.55 106.93 2jop h SER 103 Ca 0.00 -0.08 -0.48 0.00 -0.84 0.00 0.00 61.79 60.39 2jop h SER 103 Cb 0.00 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 62.53 2jop h SER 103 CO 0.00 1.07 -0.13 -0.44 -1.14 0.00 0.00 176.83 176.19 2jop s SER 104 N -6.53 6.30 0.21 3.07 0.01 -0.14 -4.06 113.70 112.57 2jop s SER 104 Ca -0.02 0.56 -0.09 0.00 1.31 0.00 0.00 55.95 57.71 2jop s SER 104 Cb 0.09 -2.08 -0.01 0.00 0.21 0.00 0.00 66.02 64.22 2jop s SER 104 CO 0.83 -0.34 0.34 0.27 0.41 0.00 0.00 173.24 174.75 2jop s ILE 105 N -2.38 0.02 -0.14 1.44 -5.25 -0.64 -3.97 121.20 110.29 2jop s ILE 105 Ca 0.42 -1.53 -0.00 0.00 -0.99 0.00 0.00 60.65 58.54 2jop s ILE 105 Cb -0.10 -2.16 -0.01 0.00 2.95 0.00 0.00 42.46 43.14 2jop s ILE 105 CO 0.37 -0.08 -0.13 -0.63 -1.79 0.00 0.00 174.94 172.68 2jop s ILE 106 N -4.04 3.00 0.37 8.37 1.01 -0.95 -2.57 121.20 126.39 2jop s ILE 106 Ca 0.25 -0.67 0.07 0.00 0.00 0.00 0.00 60.65 60.30 2jop s ILE 106 Cb 0.02 -2.27 -0.01 0.00 0.01 0.00 0.00 42.46 40.21 2jop s ILE 106 CO 0.07 0.52 0.42 0.00 0.00 0.00 0.00 174.94 175.94 2jop n TYR 108 N -1.58 -0.59 0.00 0.00 4.01 -1.15 -0.67 117.16 117.17 2jop n TYR 108 Ca 0.02 -1.20 0.00 0.00 -0.16 0.00 0.00 57.90 56.56 2jop n TYR 108 Cb 0.60 0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.81 2jop n TYR 108 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jop n GLY 109 N -0.28 0.23 3.55 2.72 0.00 -1.26 -4.45 105.19 105.70 2jop n GLY 109 Ca 0.02 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.22 2jop n GLY 109 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jop s GLN 110 N 0.00 2.44 -0.07 1.61 -0.44 -1.26 -4.80 119.66 117.13 2jop s GLN 110 Ca 0.00 -0.78 -0.31 0.00 -2.50 0.00 0.00 55.36 51.77 2jop s GLN 110 Cb 0.00 -2.42 -0.09 0.00 -1.64 0.00 0.00 33.01 28.86 2jop s GLN 110 CO 0.00 0.59 2.00 -0.11 0.50 0.00 0.00 175.29 178.27 2jop n LEU 111 N 1.61 3.68 0.00 3.68 -0.00 -1.26 -0.71 117.00 124.00 2jop n LEU 111 Ca -0.16 0.78 0.00 0.00 -0.00 0.00 0.00 56.01 56.63 2jop n LEU 111 Cb 0.52 -1.47 0.00 0.00 -0.00 0.00 0.00 43.42 42.48 2jop n LEU 111 CO 0.29 -0.08 0.00 0.61 -0.00 0.00 0.00 177.39 178.21 2jop n GLY 112 N 4.82 2.98 3.38 -3.96 0.00 -1.26 -4.97 105.19 106.17 2jop n GLY 112 Ca 0.24 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.80 2jop n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jop s SER 113 N -1.36 6.63 -1.29 1.61 0.01 0.11 -3.88 113.70 115.54 2jop s SER 113 Ca 0.00 -2.30 -0.06 0.00 1.31 0.00 0.00 55.95 54.90 2jop s SER 113 Cb 0.00 -2.28 0.08 0.00 0.21 0.00 0.00 66.02 64.02 2jop s SER 113 CO 0.00 -0.81 2.53 0.49 0.41 0.00 0.00 173.24 175.86 2jop n PHE 114 N 5.16 2.45 -0.06 2.43 3.01 0.56 -4.28 117.46 126.74 2jop n PHE 114 Ca 0.14 -2.78 -0.06 0.00 1.01 0.00 0.00 57.45 55.75 2jop n PHE 114 Cb 0.47 -1.90 -0.08 0.00 -0.01 0.00 0.00 39.48 37.95 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 1.97 2.38 -4.19 4.37 3.41 -1.26 -4.52 113.62 115.78 2jop n SER 115 Ca 0.64 -0.01 -0.23 0.00 -0.26 0.00 0.00 58.87 59.01 2jop n SER 115 Cb 0.28 0.62 -0.14 0.00 -0.26 0.00 0.00 64.21 64.71 2jop n SER 115 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2jop s ASN 116 N -4.51 2.03 0.18 4.04 0.02 -1.26 -4.92 114.94 110.53 2jop s ASN 116 Ca -0.08 -0.48 0.04 0.00 -1.02 0.00 0.00 52.86 51.32 2jop s ASN 116 Cb 0.04 -0.15 -0.02 0.00 0.02 0.00 0.00 41.25 41.14 2jop s ASN 116 CO 0.43 0.09 0.15 0.00 0.02 0.00 0.00 177.10 177.80 2jop s SER 118 N -2.28 -0.05 0.34 0.00 1.04 0.10 -4.74 113.70 108.10 2jop s SER 118 Ca 0.22 -0.05 -0.29 0.00 0.48 0.00 0.00 55.95 56.31 2jop s SER 118 Cb 0.01 0.26 -0.10 0.00 0.10 0.00 0.00 66.02 66.29 2jop s SER 118 CO 0.15 -0.34 1.34 -2.28 0.98 0.00 0.00 173.24 173.10 2jop s HIS 119 N -1.13 2.97 -1.11 5.02 2.46 -1.26 -2.25 115.29 119.98 2jop s HIS 119 Ca -0.12 1.36 -0.23 0.00 0.47 0.00 0.00 55.06 56.55 2jop s HIS 119 Cb -0.06 -3.74 -0.06 0.00 -0.13 0.00 0.00 32.58 28.58 2jop s HIS 119 CO 0.02 -2.07 1.91 -1.54 -2.47 0.00 0.00 174.74 170.59 2jop s SER 120 N -0.41 5.23 -0.00 9.88 1.04 -1.25 -4.38 113.70 123.80 2jop s SER 120 Ca 0.50 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 55.48 2jop s SER 120 Cb -0.41 -2.58 -0.00 0.00 0.10 0.00 0.00 66.02 63.13 2jop s SER 120 CO 0.54 -2.81 0.00 -2.11 0.98 0.00 0.00 173.24 169.84 2jop n ARG 121 N 8.46 2.51 -4.17 4.02 1.85 -1.26 -4.36 116.66 123.71 2jop n ARG 121 Ca 0.43 -0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 57.18 2jop n ARG 121 Cb 0.47 -1.00 -0.10 0.00 -1.05 0.00 0.00 32.46 30.78 2jop n ARG 121 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 2jop s ASN 122 N -2.64 1.04 0.20 2.89 0.01 -1.26 -5.09 114.94 110.10 2jop s ASN 122 Ca -0.00 -1.04 0.00 0.00 -0.71 0.00 0.00 52.86 51.11 2jop s ASN 122 Cb 0.00 0.12 0.00 0.00 0.41 0.00 0.00 41.25 41.78 2jop s ASN 122 CO 0.00 -0.51 0.00 -0.67 -1.51 0.00 0.00 177.10 174.42 2jop n ASP 123 N -0.06 -5.12 -4.22 -1.22 2.03 -1.26 -4.89 116.55 101.82 2jop n ASP 123 Ca -0.11 0.61 -0.41 0.00 0.52 0.00 0.00 54.79 55.40 2jop n ASP 123 Cb 0.61 -1.76 -0.04 0.00 -0.72 0.00 0.00 41.12 39.21 2jop n ASP 123 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jop s MET 124 N -3.81 3.52 0.11 -0.67 0.23 -1.26 -4.85 119.30 112.58 2jop s MET 124 Ca 0.00 -3.02 0.19 0.00 -1.03 0.00 0.00 55.69 51.82 2jop s MET 124 Cb 0.00 -4.19 0.79 0.00 -1.53 0.00 0.00 34.83 29.90 2jop s MET 124 CO 0.00 -1.25 1.58 0.00 -2.03 0.00 0.00 175.02 173.33 2jop n HIS 126 N -1.82 0.00 -2.80 0.00 -0.00 -1.26 -3.52 115.22 105.82 2jop n HIS 126 Ca 0.03 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.18 2jop n HIS 126 Cb 0.20 -1.47 0.00 0.00 -0.12 0.00 0.00 29.99 28.61 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 -0.56 -7.89 -4.76 0.26 7.64 -1.26 -4.58 113.62 102.48 2jop n SER 127 Ca 0.00 1.11 -0.40 0.00 1.01 0.00 0.00 58.87 60.59 2jop n SER 127 Cb 0.28 -5.06 -0.04 0.00 -1.01 0.00 0.00 64.21 58.38 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 -1.87 4.52 0.56 -3.43 1.43 -0.45 -1.21 118.68 118.22 2jop s LEU 128 Ca 0.07 2.33 0.01 0.00 -1.03 0.00 0.00 54.13 55.51 2jop s LEU 128 Cb -0.02 -3.63 0.04 0.00 0.03 0.00 0.00 46.19 42.61 2jop s LEU 128 CO 0.74 -0.24 0.79 -0.83 0.23 0.00 0.00 176.35 177.03 2jop s GLY 129 N -0.64 1.82 -0.09 -3.19 0.00 0.12 -4.22 107.32 101.11 2jop s GLY 129 Ca 0.47 -1.35 -0.22 0.00 0.00 0.00 0.00 44.72 43.62 2jop s GLY 129 CO 0.42 -1.05 0.52 1.08 0.00 0.00 0.00 173.10 174.07 2jop s LEU 130 N -4.78 0.02 -0.31 0.66 1.43 -1.10 -0.89 118.68 113.71 2jop s LEU 130 Ca 0.58 0.66 0.01 0.00 -1.03 0.00 0.00 54.13 54.35 2jop s LEU 130 Cb -0.10 1.90 0.15 0.00 0.03 0.00 0.00 46.19 48.17 2jop s LEU 130 CO 0.39 -0.41 0.34 -0.89 0.23 0.00 0.00 176.35 176.01 2jop s THR 131 N -0.69 -0.45 -0.70 5.49 2.01 -0.75 -1.25 115.64 119.30 2jop s THR 131 Ca -0.08 -0.53 -0.29 0.00 0.31 0.00 0.00 61.69 61.10 2jop s THR 131 Cb -0.03 -0.93 -0.14 0.00 0.01 0.00 0.00 72.50 71.41 2jop s THR 131 CO 0.05 -0.44 2.52 0.00 -0.69 0.00 0.00 174.62 176.05 2jop n LEU 133 N 12.87 0.00 -0.15 0.00 7.94 0.17 -4.61 117.00 133.23 2jop n LEU 133 Ca 0.50 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 55.42 2jop n LEU 133 Cb 0.28 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.25 2jop n LEU 133 CO 0.82 0.00 0.31 -1.84 -1.11 0.00 0.00 177.39 175.57