#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 4.41 0.05 0.55 1.43 -1.26 -4.96 118.68 118.90 2jop s LEU 26 Ca 0.00 0.83 -0.03 0.00 -1.03 0.00 0.00 54.13 53.89 2jop s LEU 26 Cb 0.00 -2.72 -0.03 0.00 0.03 0.00 0.00 46.19 43.48 2jop s LEU 26 CO 0.00 0.26 0.04 -0.94 0.23 0.00 0.00 176.35 175.94 2jop s SER 27 N -1.40 0.35 0.00 2.29 1.04 -1.26 0.10 113.70 114.82 2jop s SER 27 Ca 0.27 -0.82 0.22 0.00 0.48 0.00 0.00 55.95 56.11 2jop s SER 27 Cb -0.15 0.23 1.30 0.00 0.10 0.00 0.00 66.02 67.50 2jop s SER 27 CO 0.15 -0.59 1.71 -2.67 0.98 0.00 0.00 173.24 172.82 2jop n TRP 28 N 0.28 0.00 0.17 5.02 4.27 -1.26 -1.87 117.44 124.04 2jop n TRP 28 Ca -0.16 0.00 0.07 0.00 -3.89 0.00 0.00 57.50 53.52 2jop n TRP 28 Cb 0.60 -0.05 0.13 0.00 -1.36 0.00 0.00 31.31 30.64 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 -1.05 0.31 -2.46 -2.67 0.18 -1.26 -4.31 117.16 105.89 2jop n TYR 29 Ca 0.16 -0.26 -0.42 0.00 1.88 0.00 0.00 57.90 59.26 2jop n TYR 29 Cb 0.09 -0.01 -0.03 0.00 -0.38 0.00 0.00 39.34 39.01 2jop n TYR 29 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 2jop s ASP 30 N -1.09 7.14 0.18 9.48 1.01 -0.78 -4.96 116.67 127.65 2jop s ASP 30 Ca 0.23 2.01 -0.13 0.00 0.71 0.00 0.00 52.55 55.37 2jop s ASP 30 Cb 0.14 -2.58 0.12 0.00 1.01 0.00 0.00 42.92 41.61 2jop s ASP 30 CO 0.19 -0.41 1.80 -0.65 0.21 0.00 0.00 175.17 176.32 2jop h PRO 31 N 6.45 0.56 0.00 8.23 0.11 -1.92 -1.80 132.00 143.63 2jop h PRO 31 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2jop h PRO 31 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2jop h PRO 31 CO 0.79 0.37 0.00 -0.40 -0.21 0.00 0.00 178.00 178.55 2jop n ASP 32 N -4.83 0.61 -4.65 -2.05 5.68 -1.26 -4.67 116.55 105.39 2jop n ASP 32 Ca 0.04 0.59 -0.43 0.00 -0.50 0.00 0.00 54.79 54.49 2jop n ASP 32 Cb 0.10 -0.74 -0.02 0.00 -1.14 0.00 0.00 41.12 39.32 2jop n ASP 32 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 2jop s PHE 33 N -3.15 3.10 -0.11 2.11 2.19 -0.68 -5.01 117.98 116.43 2jop s PHE 33 Ca 0.09 1.20 -0.16 0.00 0.33 0.00 0.00 56.93 58.38 2jop s PHE 33 Cb 0.12 -3.59 -0.05 0.00 -1.31 0.00 0.00 43.02 38.19 2jop s PHE 33 CO 0.49 -0.93 0.41 -1.14 1.83 0.00 0.00 175.22 175.88 2jop s GLN 34 N 3.59 4.23 0.09 10.12 0.74 -1.26 -4.79 119.66 132.38 2jop s GLN 34 Ca 0.48 0.33 -0.18 0.00 0.05 0.00 0.00 55.36 56.04 2jop s GLN 34 Cb -0.15 -3.39 0.04 0.00 1.10 0.00 0.00 33.01 30.61 2jop s GLN 34 CO 0.14 0.29 0.43 0.00 -0.55 0.00 0.00 175.29 175.59 2jop s ALA 35 N 0.25 -1.03 0.01 1.58 0.00 -1.26 -1.68 121.76 119.62 2jop s ALA 35 Ca 0.23 0.18 -0.21 0.00 0.00 0.00 0.00 51.96 52.16 2jop s ALA 35 Cb -0.15 0.53 0.07 0.00 0.00 0.00 0.00 23.12 23.58 2jop s ALA 35 CO 0.09 -0.56 0.96 2.89 0.00 0.00 0.00 175.76 179.13 2jop n ARG 36 N 0.12 0.19 -3.10 0.00 0.00 -0.30 -4.90 116.66 108.68 2jop n ARG 36 Ca -0.17 -0.68 -0.34 0.00 -0.00 0.00 0.00 57.85 56.66 2jop n ARG 36 Cb 0.62 1.07 -0.06 0.00 -0.00 0.00 0.00 32.46 34.08 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 4.17 0.35 2.89 1.43 -1.26 -0.03 118.68 126.23 2jop s LEU 37 Ca 0.22 1.37 -0.29 0.00 -1.03 0.00 0.00 54.13 54.41 2jop s LEU 37 Cb -0.01 -3.92 -0.11 0.00 0.03 0.00 0.00 46.19 42.18 2jop s LEU 37 CO 0.00 -0.12 1.53 0.42 0.23 0.00 0.00 176.35 178.41 2jop s THR 38 N -1.81 2.02 -0.54 5.49 -4.23 0.78 -4.78 115.64 112.58 2jop s THR 38 Ca 0.50 0.02 -0.31 0.00 -1.18 0.00 0.00 61.69 60.73 2jop s THR 38 Cb -0.13 -3.01 -0.12 0.00 1.34 0.00 0.00 72.50 70.58 2jop s THR 38 CO 0.19 0.00 2.39 -2.11 -0.54 0.00 0.00 174.62 174.55 2jop n ARG 39 N 0.97 0.88 0.00 3.99 1.85 -1.26 -4.68 116.66 118.41 2jop n ARG 39 Ca 0.03 0.13 0.00 0.00 -1.00 0.00 0.00 57.85 57.01 2jop n ARG 39 Cb 0.38 -2.65 0.00 0.00 -1.05 0.00 0.00 32.46 29.14 2jop n ARG 39 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2jop n SER 40 N 12.33 0.00 0.00 2.89 3.41 -1.26 -5.04 113.62 125.95 2jop n SER 40 Ca 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 2jop n SER 40 Cb 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 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 0.00 0.00 -3.73 4.04 4.13 -1.26 -5.08 115.26 113.35 2jop n ASN 41 Ca 0.00 -0.59 -0.15 0.00 1.68 0.00 0.00 54.58 55.52 2jop n ASN 41 Cb 0.00 0.00 -0.15 0.00 -1.54 0.00 0.00 39.78 38.09 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 0.00 0.20 0.04 6.41 0.15 -1.26 -5.00 113.70 114.24 2jop s SER 42 Ca 0.00 0.21 0.15 0.00 0.70 0.00 0.00 55.95 57.00 2jop s SER 42 Cb 0.00 0.09 0.64 0.00 -1.71 0.00 0.00 66.02 65.04 2jop s SER 42 CO 0.00 -0.17 1.47 2.29 1.20 0.00 0.00 173.24 178.03 2jop n LYS 43 N 4.48 0.03 -0.80 5.44 2.85 -1.26 -2.63 118.16 126.27 2jop n LYS 43 Ca -0.21 0.29 0.05 0.00 -1.05 0.00 0.00 58.31 57.39 2jop n LYS 43 Cb 0.51 -1.56 0.11 0.00 -0.65 0.00 0.00 35.03 33.44 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 -1.63 0.71 0.00 0.00 0.74 -1.08 -0.19 119.66 118.21 2jop s GLN 45 Ca 0.30 1.09 0.00 0.00 0.05 0.00 0.00 55.36 56.80 2jop s GLN 45 Cb 0.31 0.21 0.00 0.00 1.10 0.00 0.00 33.01 34.63 2jop s GLN 45 CO -0.08 -0.13 0.00 0.41 -0.55 0.00 0.00 175.29 174.94 2jop n GLY 46 N 3.77 0.02 3.76 2.59 0.00 -0.32 -4.10 105.19 110.90 2jop n GLY 46 Ca -0.18 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.80 2.50 -0.08 1.61 -1.52 -1.26 -2.63 119.66 116.47 2jop s GLN 47 Ca 0.00 1.40 -0.26 0.00 -1.95 0.00 0.00 55.36 54.55 2jop s GLN 47 Cb 0.00 -1.91 -0.03 0.00 -0.22 0.00 0.00 33.01 30.85 2jop s GLN 47 CO 0.00 -1.49 0.84 -1.17 -0.25 0.00 0.00 175.29 173.22 2jop s LEU 48 N -5.22 4.28 -0.24 2.90 2.96 -1.26 -0.15 118.68 121.94 2jop s LEU 48 Ca 0.67 1.34 0.03 0.00 -0.22 0.00 0.00 54.13 55.94 2jop s LEU 48 Cb -0.21 -3.30 0.05 0.00 0.50 0.00 0.00 46.19 43.23 2jop s LEU 48 CO 0.46 -0.27 -0.13 -0.70 -1.32 0.00 0.00 176.35 174.39 2jop s GLU 49 N 1.38 2.39 -0.05 1.98 2.12 0.95 -0.68 118.70 126.79 2jop s GLU 49 Ca 0.43 -1.25 0.06 0.00 0.36 0.00 0.00 54.97 54.57 2jop s GLU 49 Cb -0.18 -2.83 -0.01 0.00 0.26 0.00 0.00 34.13 31.37 2jop s GLU 49 CO 0.19 -0.50 -0.23 0.14 -0.54 0.00 0.00 175.26 174.32 2jop s VAL 50 N 1.14 1.90 -0.60 3.70 -7.23 -0.97 -1.15 120.40 117.19 2jop s VAL 50 Ca -0.06 -0.98 -0.21 0.00 -1.81 0.00 0.00 61.98 58.91 2jop s VAL 50 Cb -0.19 -1.61 0.07 0.00 0.56 0.00 0.00 36.38 35.21 2jop s VAL 50 CO -0.07 0.53 0.85 -0.47 -0.31 0.00 0.00 175.10 175.64 2jop s TYR 51 N -0.14 2.82 -0.05 2.82 5.04 -0.68 -0.17 117.35 126.99 2jop s TYR 51 Ca -0.03 -0.54 -0.02 0.00 -2.44 0.00 0.00 57.07 54.04 2jop s TYR 51 Cb -0.13 -4.07 0.03 0.00 0.35 0.00 0.00 41.96 38.13 2jop s TYR 51 CO 0.03 -1.42 0.10 -0.48 -1.34 0.00 0.00 175.55 172.44 2jop s LEU 52 N 3.52 1.08 0.00 6.97 -0.00 -0.59 -4.56 118.68 125.10 2jop s LEU 52 Ca 0.20 0.21 0.00 0.00 -0.00 0.00 0.00 54.13 54.54 2jop s LEU 52 Cb -0.18 0.25 0.00 0.00 -0.00 0.00 0.00 46.19 46.26 2jop s LEU 52 CO 0.11 -0.11 0.00 1.17 -0.00 0.00 0.00 176.35 177.52 2jop n LYS 53 N 3.86 0.00 0.00 1.48 4.81 -1.26 -2.09 118.16 124.96 2jop n LYS 53 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.21 2jop n LYS 53 Cb 0.54 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.59 2jop n LYS 53 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2jop n ASP 54 N 1.53 0.00 -3.63 3.14 5.75 -1.26 -5.14 116.55 116.94 2jop n ASP 54 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.63 2jop n ASP 54 Cb 0.00 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.02 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 0.00 -0.46 -0.96 6.12 0.00 -0.89 -5.01 107.32 106.12 2jop s GLY 55 Ca 0.00 1.42 -0.24 0.00 0.00 0.00 0.00 44.72 45.90 2jop s GLY 55 CO 0.00 1.15 1.93 0.79 0.00 0.00 0.00 173.10 176.97 2jop n TRP 56 N 1.99 1.98 -2.42 1.90 7.02 -1.26 -1.55 117.44 125.10 2jop n TRP 56 Ca -0.16 -1.24 -0.43 0.00 -1.02 0.00 0.00 57.50 54.65 2jop n TRP 56 Cb 0.56 -2.23 -0.02 0.00 -2.42 0.00 0.00 31.31 27.20 2jop n TRP 56 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 2jop s HIS 57 N 10.31 2.66 -0.54 -5.99 3.76 0.76 -4.67 115.29 121.58 2jop s HIS 57 Ca 0.68 0.85 -0.28 0.00 -0.15 0.00 0.00 55.06 56.17 2jop s HIS 57 Cb 0.04 -3.96 0.00 0.00 1.11 0.00 0.00 32.58 29.77 2jop s HIS 57 CO 0.16 -1.72 1.58 -1.64 -0.85 0.00 0.00 174.74 172.27 2jop s MET 58 N 4.24 3.14 0.67 1.40 -1.94 -1.26 -2.28 119.30 123.27 2jop s MET 58 Ca 0.56 0.62 -0.01 0.00 -1.71 0.00 0.00 55.69 55.15 2jop s MET 58 Cb -0.16 -4.20 0.09 0.00 2.01 0.00 0.00 34.83 32.57 2jop s MET 58 CO 0.24 -2.13 0.94 0.14 -0.01 0.00 0.00 175.02 174.20 2jop s VAL 59 N 6.92 2.32 -0.79 -6.03 -7.23 0.14 -0.81 120.40 114.91 2jop s VAL 59 Ca 0.60 -0.56 0.15 0.00 -1.81 0.00 0.00 61.98 60.36 2jop s VAL 59 Cb -0.13 -2.76 0.70 0.00 0.56 0.00 0.00 36.38 34.75 2jop s VAL 59 CO 0.25 0.00 1.59 0.00 -0.31 0.00 0.00 175.10 176.63 2jop n SER 61 N 0.81 0.00 -1.03 0.00 7.64 -1.26 -3.76 113.62 116.02 2jop n SER 61 Ca 0.24 0.00 0.05 0.00 1.01 0.00 0.00 58.87 60.17 2jop n SER 61 Cb 0.96 0.00 0.20 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 2.59 -0.52 1.43 -0.00 -1.26 -4.92 117.38 114.70 2jop n GLN 62 Ca 0.00 -1.56 -0.29 0.00 -0.00 0.00 0.00 57.00 55.15 2jop n GLN 62 Cb 0.00 -1.66 0.27 0.00 -0.00 0.00 0.00 30.24 28.85 2jop n GLN 62 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2jop s SER 63 N -0.65 0.09 0.00 2.61 0.01 -1.26 -1.43 113.70 113.08 2jop s SER 63 Ca 0.28 1.16 0.00 0.00 1.31 0.00 0.00 55.95 58.70 2jop s SER 63 Cb 0.19 -1.75 0.00 0.00 0.21 0.00 0.00 66.02 64.66 2jop s SER 63 CO 0.12 -4.70 0.00 0.79 0.41 0.00 0.00 173.24 169.87 2jop n TRP 64 N -5.22 0.00 0.03 2.43 8.01 0.13 -3.79 117.44 119.04 2jop n TRP 64 Ca 0.07 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 56.14 2jop n TRP 64 Cb 0.57 0.00 -0.09 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 -0.13 -3.11 6.99 0.00 -1.73 -3.27 103.07 101.82 2jop h GLY 65 Ca 0.00 0.05 -0.40 0.00 0.00 0.00 0.00 47.33 46.98 2jop h GLY 65 CO 0.00 -0.05 -0.51 0.54 0.00 0.00 0.00 176.54 176.52 2jop n ARG 66 N -4.93 -1.77 0.16 4.80 1.74 -0.51 -4.90 116.66 111.25 2jop n ARG 66 Ca -0.09 0.97 -0.14 0.00 -0.77 0.00 0.00 57.85 57.82 2jop n ARG 66 Cb 0.25 -5.63 -0.07 0.00 -1.02 0.00 0.00 32.46 25.99 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 -0.01 -0.85 -4.81 0.55 0.02 -1.91 -3.46 113.55 103.07 2jop h SER 67 Ca -0.48 0.09 -0.46 0.00 -0.84 0.00 0.00 61.79 60.10 2jop h SER 67 Cb 1.35 0.31 -0.13 0.00 0.14 0.00 0.00 62.40 64.06 2jop h SER 67 CO 0.56 -0.42 -0.52 -0.55 -1.14 0.00 0.00 176.83 174.76 2jop s SER 68 N -4.71 1.84 0.19 3.07 0.15 -1.26 -5.03 113.70 107.94 2jop s SER 68 Ca -0.16 -1.66 0.24 0.00 0.70 0.00 0.00 55.95 55.07 2jop s SER 68 Cb 0.07 0.48 0.30 0.00 -1.71 0.00 0.00 66.02 65.17 2jop s SER 68 CO 0.64 -0.96 1.33 0.11 1.20 0.00 0.00 173.24 175.56 2jop h LYS 69 N 2.10 0.00 -2.29 5.44 1.57 -1.89 -3.41 116.57 118.10 2jop h LYS 69 Ca -0.31 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.09 2jop h LYS 69 Cb 1.25 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.21 2jop h LYS 69 CO 0.47 0.00 -0.68 -1.14 -0.57 0.00 0.00 179.45 177.53 2jop s GLN 70 N -3.22 0.33 0.18 3.15 0.74 -1.26 -4.70 119.66 114.88 2jop s GLN 70 Ca 0.05 -0.33 -0.31 0.00 0.05 0.00 0.00 55.36 54.82 2jop s GLN 70 Cb 0.11 -0.79 -0.09 0.00 1.10 0.00 0.00 33.01 33.33 2jop s GLN 70 CO 0.72 -1.05 1.47 -1.58 -0.55 0.00 0.00 175.29 174.30 2jop s TRP 71 N 2.17 3.11 -1.78 1.67 0.52 -1.26 -4.88 118.94 118.49 2jop s TRP 71 Ca 0.10 0.86 0.30 0.00 0.02 0.00 0.00 56.10 57.38 2jop s TRP 71 Cb -0.15 -3.81 1.39 0.00 -1.15 0.00 0.00 33.47 29.75 2jop s TRP 71 CO -0.30 -2.85 1.95 -0.85 0.02 0.00 0.00 176.95 174.92 2jop n GLU 72 N 3.43 0.82 -3.47 4.98 0.28 -1.26 -4.63 120.64 120.78 2jop n GLU 72 Ca 0.11 -0.23 -0.43 0.00 -0.16 0.00 0.00 57.16 56.45 2jop n GLU 72 Cb 0.40 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.69 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 -2.34 5.96 -0.39 -1.84 -1.08 -1.26 -4.94 116.67 110.78 2jop s ASP 73 Ca 0.34 -1.32 0.07 0.00 -0.52 0.00 0.00 52.55 51.11 2jop s ASP 73 Cb 0.21 -2.11 0.70 0.00 -1.46 0.00 0.00 42.92 40.26 2jop s ASP 73 CO 0.44 -0.58 1.87 -0.81 0.52 0.00 0.00 175.17 176.60 2jop n PRO 74 N 5.10 2.89 0.00 4.34 -0.04 -1.26 -4.72 135.00 141.31 2jop n PRO 74 Ca -0.12 -3.05 0.00 0.00 -0.04 0.00 0.00 63.50 60.29 2jop n PRO 74 Cb 0.44 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 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 -0.72 0.91 0.00 3.54 3.41 -1.26 -4.37 113.62 115.13 2jop n SER 75 Ca 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 2jop n SER 75 Cb 1.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.50 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 -0.88 4.33 1.13 -1.26 -4.60 117.38 116.11 2jop n GLN 76 Ca 0.00 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.04 2jop n GLN 76 Cb 0.00 -1.44 0.29 0.00 0.11 0.00 0.00 30.24 29.21 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 0.20 4.18 -0.34 -1.58 0.00 -1.26 -4.45 120.51 117.26 2jop n ALA 77 Ca 0.00 -2.40 -0.02 0.00 0.00 0.00 0.00 53.44 51.02 2jop n ALA 77 Cb 0.00 -1.07 0.11 0.00 0.00 0.00 0.00 19.45 18.49 2jop n ALA 77 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jop h SER 78 N 2.42 1.01 -0.43 0.00 4.64 -1.90 -0.74 113.55 118.55 2jop h SER 78 Ca 0.19 -0.01 0.04 0.00 -0.47 0.00 0.00 61.79 61.53 2jop h SER 78 Cb 2.06 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 63.89 2jop h SER 78 CO 0.58 0.70 0.28 0.50 -0.87 0.00 0.00 176.83 178.03 2jop h LYS 79 N 1.18 0.42 0.55 4.77 3.11 -1.85 0.76 116.57 125.50 2jop h LYS 79 Ca 0.36 -0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 58.14 2jop h LYS 79 Cb -0.04 -0.09 0.01 0.00 -1.00 0.00 0.00 32.23 31.10 2jop h LYS 79 CO -0.11 0.28 -0.26 0.28 -2.81 0.00 0.00 179.45 176.83 2jop h VAL 80 N 0.43 0.00 0.00 2.00 2.07 -1.33 -2.24 116.25 117.18 2jop h VAL 80 Ca 0.18 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 2jop h VAL 80 Cb 0.17 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 2jop h VAL 80 CO -0.04 0.00 -0.28 0.00 0.02 0.00 0.00 177.57 177.27 2jop h GLN 82 N 0.00 1.10 0.00 0.00 4.15 -0.77 0.20 115.11 119.79 2jop h GLN 82 Ca -0.00 -0.21 0.00 0.00 0.77 0.00 0.00 58.65 59.21 2jop h GLN 82 Cb 0.81 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.33 2jop h GLN 82 CO 0.04 0.92 0.00 -0.09 -1.93 0.00 0.00 178.83 177.76 2jop h ARG 83 N 1.06 0.00 -0.41 1.69 2.43 -0.68 -0.53 114.38 117.93 2jop h ARG 83 Ca 0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 2jop h ARG 83 Cb 0.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2jop h ARG 83 CO -0.02 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.72 2jop n LEU 84 N -2.82 2.80 -3.49 3.80 4.32 -0.64 -4.94 117.00 116.04 2jop n LEU 84 Ca 0.02 -1.30 -0.23 0.00 -0.02 0.00 0.00 56.01 54.48 2jop n LEU 84 Cb 0.34 -0.27 -0.02 0.00 -1.62 0.00 0.00 43.42 41.84 2jop n LEU 84 CO 0.27 0.65 -0.06 -0.46 -1.22 0.00 0.00 177.39 176.56 2jop n ASN 85 N 1.04 -2.64 -1.49 -1.43 0.23 -0.11 -4.81 115.26 106.04 2jop n ASN 85 Ca 0.18 -0.42 0.11 0.00 -0.53 0.00 0.00 54.58 53.92 2jop n ASN 85 Cb 0.47 -2.25 0.35 0.00 -2.08 0.00 0.00 39.78 36.27 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 1.44 0.83 3.88 0.00 0.00 -1.24 -4.40 105.19 105.70 2jop n GLY 87 Ca 0.26 -1.01 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 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 4.09 0.51 1.61 1.01 -1.26 -3.08 116.67 115.55 2jop s ASP 88 Ca 0.00 0.76 -0.20 0.00 0.71 0.00 0.00 52.55 53.82 2jop s ASP 88 Cb 0.00 -1.21 -0.07 0.00 1.01 0.00 0.00 42.92 42.65 2jop s ASP 88 CO 0.00 -2.16 1.09 -2.16 0.21 0.00 0.00 175.17 172.14 2jop s PRO 89 N -5.55 3.58 -0.45 8.23 0.04 -1.26 -0.78 135.00 138.81 2jop s PRO 89 Ca 0.64 1.51 -0.41 0.00 0.04 0.00 0.00 61.00 62.77 2jop s PRO 89 Cb -0.11 -2.07 -0.18 0.00 0.04 0.00 0.00 34.50 32.18 2jop s PRO 89 CO 0.50 -0.64 1.65 1.47 0.04 0.00 0.00 177.00 180.03 2jop n LEU 90 N -1.10 0.92 -4.78 -3.56 -0.00 -1.25 -0.43 117.00 106.81 2jop n LEU 90 Ca 0.10 0.89 -0.36 0.00 -0.00 0.00 0.00 56.01 56.64 2jop n LEU 90 Cb 0.51 -0.80 -0.03 0.00 -0.00 0.00 0.00 43.42 43.10 2jop n LEU 90 CO 0.41 -0.73 0.76 -0.55 -0.00 0.00 0.00 177.39 177.27 2jop s SER 91 N 3.85 6.43 -0.09 1.45 0.15 0.46 -4.39 113.70 121.56 2jop s SER 91 Ca 1.01 2.08 -0.00 0.00 0.70 0.00 0.00 55.95 59.74 2jop s SER 91 Cb -1.36 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 60.34 2jop s SER 91 CO 0.68 -0.73 -0.07 -0.22 1.20 0.00 0.00 173.24 174.11 2jop s LEU 92 N -3.05 3.15 -0.21 3.45 2.96 -1.26 -1.02 118.68 122.70 2jop s LEU 92 Ca 0.63 -0.07 -0.33 0.00 -0.22 0.00 0.00 54.13 54.14 2jop s LEU 92 Cb -0.22 -1.70 0.15 0.00 0.50 0.00 0.00 46.19 44.92 2jop s LEU 92 CO 0.27 0.30 1.22 -0.83 -1.32 0.00 0.00 176.35 175.99 2jop s GLY 93 N -0.43 -0.19 -0.04 7.98 0.00 -0.59 -4.50 107.32 109.56 2jop s GLY 93 Ca 0.06 2.00 -0.38 0.00 0.00 0.00 0.00 44.72 46.40 2jop s GLY 93 CO 0.02 0.76 1.49 -1.55 0.00 0.00 0.00 173.10 173.82 2jop n PRO 94 N 0.19 1.19 -0.65 2.90 -0.04 -1.26 0.07 135.00 137.40 2jop n PRO 94 Ca -0.01 0.43 0.01 0.00 -0.04 0.00 0.00 63.50 63.89 2jop n PRO 94 Cb 0.58 -2.09 0.20 0.00 -0.04 0.00 0.00 33.50 32.15 2jop n PRO 94 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2jop n PHE 95 N 3.58 0.67 0.00 0.54 7.35 0.15 -4.66 117.46 125.09 2jop n PHE 95 Ca 0.21 -1.45 0.00 0.00 -0.76 0.00 0.00 57.45 55.45 2jop n PHE 95 Cb 0.17 -0.38 0.00 0.00 0.35 0.00 0.00 39.48 39.63 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 -1.09 0.00 -3.42 -2.13 4.77 -1.24 -4.56 117.00 109.32 2jop n LEU 96 Ca 0.27 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2jop n LEU 96 Cb 0.89 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.95 2jop n LEU 96 CO 0.11 0.00 0.18 -0.75 -1.33 0.00 0.00 177.39 175.60 2jop s LYS 97 N 0.00 0.54 0.00 3.23 2.20 -1.26 -4.17 119.74 120.28 2jop s LYS 97 Ca 0.00 1.19 0.00 0.00 -0.36 0.00 0.00 55.97 56.80 2jop s LYS 97 Cb 0.00 0.63 0.00 0.00 -1.51 0.00 0.00 37.83 36.95 2jop s LYS 97 CO 0.00 -0.41 0.00 2.41 -0.36 0.00 0.00 175.35 176.99 2jop n THR 98 N 5.43 0.00 -1.90 3.43 -1.04 -1.26 -5.07 114.28 113.87 2jop n THR 98 Ca -0.07 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.65 2jop n THR 98 Cb 0.50 -0.10 0.17 0.00 -1.82 0.00 0.00 70.33 69.08 2jop n THR 98 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 2jop s TYR 99 N -1.15 1.81 -0.10 -1.42 -0.85 -1.26 -5.08 117.35 109.30 2jop s TYR 99 Ca 0.00 0.40 0.01 0.00 -0.52 0.00 0.00 57.07 56.96 2jop s TYR 99 Cb 0.00 -3.99 0.02 0.00 0.38 0.00 0.00 41.96 38.37 2jop s TYR 99 CO 0.00 -2.53 -0.11 0.99 -1.52 0.00 0.00 175.55 172.38 2jop s THR 100 N -3.81 1.18 0.00 -3.49 2.01 -1.26 -4.99 115.64 105.28 2jop s THR 100 Ca 0.72 -0.43 -0.02 0.00 0.31 0.00 0.00 61.69 62.27 2jop s THR 100 Cb -0.05 -1.13 -0.07 0.00 0.01 0.00 0.00 72.50 71.25 2jop s THR 100 CO 0.52 0.38 1.36 -2.65 -0.69 0.00 0.00 174.62 173.55 2jop n PRO 101 N 4.50 0.59 0.09 4.92 -0.02 -1.26 -0.83 135.00 142.99 2jop n PRO 101 Ca -0.17 -0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.04 2jop n PRO 101 Cb 0.51 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 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 2.67 0.00 -0.03 -0.52 7.27 -1.26 -4.81 117.38 120.70 2jop n GLN 102 Ca 0.11 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 57.05 2jop n GLN 102 Cb 0.27 0.00 -0.09 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 0.12 -3.58 1.69 0.02 -1.85 -3.46 113.55 106.49 2jop h SER 103 Ca 0.00 -0.53 -0.46 0.00 -0.84 0.00 0.00 61.79 59.96 2jop h SER 103 Cb 0.00 -0.03 0.11 0.00 0.14 0.00 0.00 62.40 62.61 2jop h SER 103 CO 0.00 0.62 0.28 -0.94 -1.14 0.00 0.00 176.83 175.65 2jop s SER 104 N -5.88 4.16 0.10 3.07 1.04 -0.01 -4.82 113.70 111.36 2jop s SER 104 Ca -0.16 0.25 0.01 0.00 0.48 0.00 0.00 55.95 56.53 2jop s SER 104 Cb 0.02 -0.64 -0.04 0.00 0.10 0.00 0.00 66.02 65.46 2jop s SER 104 CO 0.70 -2.03 -0.04 0.27 0.98 0.00 0.00 173.24 173.12 2jop s ILE 105 N -3.45 0.53 -0.26 -1.02 -5.25 0.01 -3.23 121.20 108.53 2jop s ILE 105 Ca 0.66 -1.91 0.02 0.00 -0.99 0.00 0.00 60.65 58.43 2jop s ILE 105 Cb -0.07 -1.71 0.07 0.00 2.95 0.00 0.00 42.46 43.69 2jop s ILE 105 CO 0.48 -0.83 -0.07 -0.63 -1.79 0.00 0.00 174.94 172.09 2jop s ILE 106 N -3.73 1.89 0.74 8.37 1.01 0.88 -2.76 121.20 127.60 2jop s ILE 106 Ca 0.13 -1.54 -0.09 0.00 0.00 0.00 0.00 60.65 59.15 2jop s ILE 106 Cb 0.06 -2.11 0.06 0.00 0.01 0.00 0.00 42.46 40.48 2jop s ILE 106 CO -0.05 -0.13 1.08 0.00 0.00 0.00 0.00 174.94 175.84 2jop n TYR 108 N -3.06 -0.15 -0.26 0.00 4.01 -1.24 0.22 117.16 116.68 2jop n TYR 108 Ca 0.08 -0.73 0.00 0.00 -0.16 0.00 0.00 57.90 57.08 2jop n TYR 108 Cb 0.60 0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.69 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 0.21 1.03 3.71 2.72 0.00 -1.24 -4.42 105.19 107.20 2jop n GLY 109 Ca 0.01 -1.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.18 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 2.74 0.01 1.61 1.11 -1.26 -4.17 119.66 119.69 2jop s GLN 110 Ca 0.00 -0.70 -0.30 0.00 0.01 0.00 0.00 55.36 54.37 2jop s GLN 110 Cb 0.00 -2.65 -0.07 0.00 -1.01 0.00 0.00 33.01 29.29 2jop s GLN 110 CO 0.00 0.58 1.58 -1.17 0.01 0.00 0.00 175.29 176.30 2jop s LEU 111 N -1.99 4.34 0.00 2.90 2.96 -1.26 -1.79 118.68 123.83 2jop s LEU 111 Ca 0.24 2.30 0.00 0.00 -0.22 0.00 0.00 54.13 56.44 2jop s LEU 111 Cb -0.12 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.02 2jop s LEU 111 CO 0.16 -0.86 0.00 0.61 -1.32 0.00 0.00 176.35 174.94 2jop n GLY 112 N 3.95 0.66 3.10 7.98 0.00 -1.26 -5.03 105.19 114.60 2jop n GLY 112 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2jop n GLY 112 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jop n SER 113 N 0.00 4.51 -3.51 1.61 7.64 -0.74 -3.97 113.62 119.15 2jop n SER 113 Ca 0.00 -3.15 -0.40 0.00 1.01 0.00 0.00 58.87 56.32 2jop n SER 113 Cb 0.00 -1.09 -0.01 0.00 -1.01 0.00 0.00 64.21 62.09 2jop n SER 113 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2jop n PHE 114 N 2.21 2.80 -1.09 1.43 3.01 0.12 -4.13 117.46 121.80 2jop n PHE 114 Ca 0.23 -2.98 0.01 0.00 1.01 0.00 0.00 57.45 55.71 2jop n PHE 114 Cb 0.37 -2.33 0.01 0.00 -0.01 0.00 0.00 39.48 37.52 2jop n PHE 114 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2jop n SER 115 N 3.91 0.49 -3.64 4.37 7.64 -1.26 -4.22 113.62 120.91 2jop n SER 115 Ca 0.64 -1.56 -0.04 0.00 1.01 0.00 0.00 58.87 58.93 2jop n SER 115 Cb 0.29 -0.08 -0.07 0.00 -1.01 0.00 0.00 64.21 63.34 2jop n SER 115 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2jop s ASN 116 N -0.62 -0.50 0.34 6.43 3.84 -1.26 -5.06 114.94 118.11 2jop s ASN 116 Ca 0.02 0.83 0.03 0.00 0.21 0.00 0.00 52.86 53.96 2jop s ASN 116 Cb 0.02 1.13 -0.01 0.00 -0.55 0.00 0.00 41.25 41.84 2jop s ASN 116 CO 0.00 -0.13 0.38 0.00 -2.79 0.00 0.00 177.10 174.56 2jop s SER 118 N -3.25 0.56 0.31 0.00 0.15 -0.96 -4.88 113.70 105.63 2jop s SER 118 Ca 0.35 -1.32 -0.12 0.00 0.70 0.00 0.00 55.95 55.56 2jop s SER 118 Cb 0.01 0.63 -0.08 0.00 -1.71 0.00 0.00 66.02 64.87 2jop s SER 118 CO 0.25 -1.25 0.68 -1.00 1.20 0.00 0.00 173.24 173.11 2jop s HIS 119 N -3.33 3.42 -0.13 3.44 3.76 -1.26 -0.08 115.29 121.10 2jop s HIS 119 Ca 0.28 1.04 -0.29 0.00 -0.15 0.00 0.00 55.06 55.94 2jop s HIS 119 Cb -0.00 -2.40 -0.06 0.00 1.11 0.00 0.00 32.58 31.22 2jop s HIS 119 CO 0.16 0.10 2.06 -1.12 -0.85 0.00 0.00 174.74 175.10 2jop s SER 120 N -2.56 5.91 0.00 1.40 0.01 -1.20 -4.40 113.70 112.86 2jop s SER 120 Ca 0.51 2.14 0.00 0.00 1.31 0.00 0.00 55.95 59.91 2jop s SER 120 Cb -0.11 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2jop s SER 120 CO 0.22 -1.56 0.00 0.54 0.41 0.00 0.00 173.24 172.85 2jop n ARG 121 N 8.21 0.00 -3.27 12.44 5.12 -1.26 -4.56 116.66 133.34 2jop n ARG 121 Ca 0.25 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 56.11 2jop n ARG 121 Cb 0.44 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.69 2jop n ARG 121 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 2jop s ASN 122 N -1.05 -0.06 0.00 0.55 3.84 -1.26 -5.11 114.94 111.85 2jop s ASN 122 Ca 0.00 -0.31 0.00 0.00 0.21 0.00 0.00 52.86 52.76 2jop s ASN 122 Cb 0.00 1.30 0.00 0.00 -0.55 0.00 0.00 41.25 42.00 2jop s ASN 122 CO 0.00 -0.34 0.00 0.47 -2.79 0.00 0.00 177.10 174.44 2jop n ASP 123 N 5.31 0.08 -0.54 -4.21 8.00 -1.26 -5.05 116.55 118.88 2jop n ASP 123 Ca 0.02 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.65 2jop n ASP 123 Cb 0.50 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.84 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 1.49 -3.02 -1.24 2.81 -1.26 -4.73 117.12 111.17 2jop n MET 124 Ca 0.00 -1.09 -0.45 0.00 -1.81 0.00 0.00 57.70 54.35 2jop n MET 124 Cb 0.00 -1.48 -0.03 0.00 -0.71 0.00 0.00 33.22 31.01 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 6.04 3.18 -3.52 0.00 -0.00 -1.26 -4.52 115.22 115.14 2jop n HIS 126 Ca 0.18 -2.95 -0.17 0.00 0.46 0.00 0.00 57.72 55.24 2jop n HIS 126 Cb 0.48 -2.38 0.01 0.00 -0.12 0.00 0.00 29.99 27.98 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 4.98 -5.98 -4.72 0.26 7.64 -1.26 -4.01 113.62 110.54 2jop n SER 127 Ca 0.54 -0.66 -0.42 0.00 1.01 0.00 0.00 58.87 59.34 2jop n SER 127 Cb 0.35 -3.23 -0.03 0.00 -1.01 0.00 0.00 64.21 60.29 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 -4.88 4.37 -0.16 -3.43 1.43 -1.25 -0.67 118.68 114.10 2jop s LEU 128 Ca 0.08 2.28 -0.05 0.00 -1.03 0.00 0.00 54.13 55.40 2jop s LEU 128 Cb -0.03 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.57 2jop s LEU 128 CO 0.84 -0.61 0.03 -0.83 0.23 0.00 0.00 176.35 176.00 2jop s GLY 129 N 1.03 1.85 -0.07 -3.19 0.00 0.11 -4.44 107.32 102.61 2jop s GLY 129 Ca 0.63 -0.77 -0.06 0.00 0.00 0.00 0.00 44.72 44.52 2jop s GLY 129 CO 0.31 -0.09 0.17 1.08 0.00 0.00 0.00 173.10 174.57 2jop s LEU 130 N 0.12 4.38 -0.23 0.66 1.43 -1.08 -1.54 118.68 122.43 2jop s LEU 130 Ca 0.03 0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 53.54 2jop s LEU 130 Cb -0.13 -2.32 0.10 0.00 0.03 0.00 0.00 46.19 43.87 2jop s LEU 130 CO 0.01 0.34 0.22 0.28 0.23 0.00 0.00 176.35 177.44 2jop s THR 131 N -1.16 -0.30 -0.49 5.49 -1.32 -0.19 -1.17 115.64 116.50 2jop s THR 131 Ca 0.20 -0.25 -0.37 0.00 -1.21 0.00 0.00 61.69 60.07 2jop s THR 131 Cb -0.12 -0.76 -0.15 0.00 -1.51 0.00 0.00 72.50 69.96 2jop s THR 131 CO 0.10 -0.31 2.25 0.00 -2.21 0.00 0.00 174.62 174.46 2jop n LEU 133 N 9.52 0.00 0.00 0.00 7.94 0.43 -4.62 117.00 130.27 2jop n LEU 133 Ca 0.49 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.39 2jop n LEU 133 Cb 0.13 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.08 2jop n LEU 133 CO 0.82 0.00 0.00 -1.84 -1.11 0.00 0.00 177.39 175.26