#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jop n LEU 26 N 0.00 -6.55 -3.77 2.89 4.77 -1.26 -4.44 117.00 108.64 2jop n LEU 26 Ca 0.00 0.46 -0.15 0.00 -0.03 0.00 0.00 56.01 56.29 2jop n LEU 26 Cb 0.00 -2.83 -0.16 0.00 -2.33 0.00 0.00 43.42 38.10 2jop n LEU 26 CO 0.00 -1.85 -0.33 -0.94 -1.33 0.00 0.00 177.39 172.93 2jop s SER 27 N -2.16 0.04 0.00 -1.43 1.04 -1.25 -0.24 113.70 109.71 2jop s SER 27 Ca 0.18 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.68 2jop s SER 27 Cb -0.05 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.04 2jop s SER 27 CO 0.59 -0.13 1.58 -2.67 0.98 0.00 0.00 173.24 173.60 2jop n TRP 28 N 4.14 0.00 -1.28 5.02 4.27 -1.26 -1.46 117.44 126.87 2jop n TRP 28 Ca -0.27 -0.79 0.00 0.00 -3.89 0.00 0.00 57.50 52.55 2jop n TRP 28 Cb 0.51 -0.40 0.00 0.00 -1.36 0.00 0.00 31.31 30.06 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 1.12 0.00 -3.59 -2.67 0.18 -1.26 -4.44 117.16 106.50 2jop n TYR 29 Ca 0.00 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.41 2jop n TYR 29 Cb 0.49 0.01 -0.07 0.00 -0.38 0.00 0.00 39.34 39.39 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 -0.19 6.48 0.45 9.48 2.15 -0.53 -4.90 116.67 129.61 2jop s ASP 30 Ca 0.00 0.56 0.31 0.00 0.43 0.00 0.00 52.55 53.85 2jop s ASP 30 Cb 0.00 -2.17 1.54 0.00 -0.30 0.00 0.00 42.92 41.99 2jop s ASP 30 CO 0.00 0.19 1.93 1.55 -0.17 0.00 0.00 175.17 178.67 2jop h PRO 31 N 6.09 0.00 0.02 4.34 0.13 -1.97 -1.92 132.00 138.69 2jop h PRO 31 Ca -0.45 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.36 2jop h PRO 31 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2jop h PRO 31 CO 0.71 0.00 -1.93 -3.47 -0.23 0.00 0.00 178.00 173.08 2jop n ASP 32 N -2.63 0.92 -4.72 1.44 2.03 -1.26 -4.93 116.55 107.39 2jop n ASP 32 Ca -0.01 0.28 -0.42 0.00 0.52 0.00 0.00 54.79 55.16 2jop n ASP 32 Cb 0.13 0.03 -0.03 0.00 -0.72 0.00 0.00 41.12 40.53 2jop n ASP 32 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2jop s PHE 33 N -2.57 3.19 -0.17 -0.67 5.36 -0.72 -4.97 117.98 117.43 2jop s PHE 33 Ca -0.10 0.93 -0.24 0.00 -0.96 0.00 0.00 56.93 56.57 2jop s PHE 33 Cb 0.07 -3.73 -0.02 0.00 -0.34 0.00 0.00 43.02 39.00 2jop s PHE 33 CO 0.81 -2.55 0.75 -0.65 -1.46 0.00 0.00 175.22 172.12 2jop s GLN 34 N 0.81 4.29 -0.13 10.12 -1.52 -1.26 -4.83 119.66 127.14 2jop s GLN 34 Ca 0.64 0.87 -0.20 0.00 -1.95 0.00 0.00 55.36 54.72 2jop s GLN 34 Cb -0.39 -3.56 0.05 0.00 -0.22 0.00 0.00 33.01 28.89 2jop s GLN 34 CO 0.33 -0.25 0.52 0.00 -0.25 0.00 0.00 175.29 175.63 2jop s ALA 35 N 1.90 -1.30 -0.01 6.09 0.00 -1.26 -0.83 121.76 126.36 2jop s ALA 35 Ca 0.35 1.22 -0.22 0.00 0.00 0.00 0.00 51.96 53.32 2jop s ALA 35 Cb -0.16 -0.50 0.07 0.00 0.00 0.00 0.00 23.12 22.52 2jop s ALA 35 CO 0.12 -0.28 0.99 2.89 0.00 0.00 0.00 175.76 179.49 2jop n ARG 36 N 2.11 0.15 -4.21 0.00 1.85 -0.85 -4.95 116.66 110.76 2jop n ARG 36 Ca -0.16 -0.62 -0.35 0.00 -1.00 0.00 0.00 57.85 55.72 2jop n ARG 36 Cb 0.56 1.01 -0.09 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 3.78 0.32 2.89 1.43 -1.24 -0.51 118.68 125.36 2jop s LEU 37 Ca 0.23 0.20 -0.04 0.00 -1.03 0.00 0.00 54.13 53.49 2jop s LEU 37 Cb -0.01 -1.89 -0.00 0.00 0.03 0.00 0.00 46.19 44.32 2jop s LEU 37 CO -0.00 0.35 0.46 -0.89 0.23 0.00 0.00 176.35 176.49 2jop s THR 38 N -0.68 0.00 -0.64 5.49 2.01 -0.90 -4.53 115.64 116.38 2jop s THR 38 Ca 0.11 -1.60 0.00 0.00 0.31 0.00 0.00 61.69 60.52 2jop s THR 38 Cb -0.12 -2.58 0.00 0.00 0.01 0.00 0.00 72.50 69.81 2jop s THR 38 CO 0.02 0.00 0.00 0.54 -0.69 0.00 0.00 174.62 174.49 2jop n ARG 39 N -0.53 -1.18 -4.33 4.92 5.12 -1.26 -3.72 116.66 115.68 2jop n ARG 39 Ca 0.01 0.62 -0.20 0.00 -1.93 0.00 0.00 57.85 56.34 2jop n ARG 39 Cb 0.62 -4.66 -0.08 0.00 -1.16 0.00 0.00 32.46 27.17 2jop n ARG 39 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2jop s SER 40 N -2.37 1.81 -0.15 0.55 0.01 -1.26 -4.93 113.70 107.36 2jop s SER 40 Ca 0.00 -1.72 0.10 0.00 1.31 0.00 0.00 55.95 55.64 2jop s SER 40 Cb 0.00 0.54 0.56 0.00 0.21 0.00 0.00 66.02 67.33 2jop s SER 40 CO 0.00 -1.02 1.37 0.59 0.41 0.00 0.00 173.24 174.59 2jop n ASN 41 N -1.42 4.20 -3.70 2.44 4.13 -1.26 -4.84 115.26 114.81 2jop n ASN 41 Ca 0.04 -2.60 -0.11 0.00 1.68 0.00 0.00 54.58 53.60 2jop n ASN 41 Cb 0.63 -0.61 -0.10 0.00 -1.54 0.00 0.00 39.78 38.16 2jop n ASN 41 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2jop s SER 42 N -0.57 -0.53 0.38 6.41 0.01 -1.18 -4.98 113.70 113.23 2jop s SER 42 Ca 0.38 0.92 0.09 0.00 1.31 0.00 0.00 55.95 58.65 2jop s SER 42 Cb 0.28 0.82 0.74 0.00 0.21 0.00 0.00 66.02 68.07 2jop s SER 42 CO 0.12 -0.19 1.89 0.11 0.41 0.00 0.00 173.24 175.58 2jop h LYS 43 N 6.93 0.24 -0.47 12.44 1.57 -1.88 -2.78 116.57 132.61 2jop h LYS 43 Ca -0.35 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2jop h LYS 43 Cb 1.19 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2jop h LYS 43 CO 0.28 0.40 0.00 0.00 -0.57 0.00 0.00 179.45 179.57 2jop s GLN 45 N -2.37 0.57 0.00 0.00 0.74 -1.05 -0.26 119.66 117.30 2jop s GLN 45 Ca 0.47 1.33 0.00 0.00 0.05 0.00 0.00 55.36 57.20 2jop s GLN 45 Cb 0.34 0.60 0.00 0.00 1.10 0.00 0.00 33.01 35.05 2jop s GLN 45 CO 0.16 -0.19 0.00 0.41 -0.55 0.00 0.00 175.29 175.12 2jop n GLY 46 N 5.12 -0.85 3.78 2.59 0.00 -0.66 -3.13 105.19 112.04 2jop n GLY 46 Ca -0.14 -1.28 -0.37 0.00 0.00 0.00 0.00 46.02 44.23 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 4.61 -0.13 1.61 -1.52 -1.24 -2.79 119.66 118.20 2jop s GLN 47 Ca 0.00 1.36 -0.29 0.00 -1.95 0.00 0.00 55.36 54.48 2jop s GLN 47 Cb 0.00 -2.86 -0.03 0.00 -0.22 0.00 0.00 33.01 29.90 2jop s GLN 47 CO 0.00 0.30 1.37 -1.17 -0.25 0.00 0.00 175.29 175.54 2jop s LEU 48 N -1.94 4.22 -0.21 2.90 2.96 -1.25 -2.12 118.68 123.25 2jop s LEU 48 Ca 0.49 1.85 -0.01 0.00 -0.22 0.00 0.00 54.13 56.24 2jop s LEU 48 Cb -0.20 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 42.96 2jop s LEU 48 CO 0.25 -0.80 -0.11 -0.70 -1.32 0.00 0.00 176.35 173.67 2jop s GLU 49 N 3.58 3.11 -0.04 1.98 2.12 0.33 -0.63 118.70 129.16 2jop s GLU 49 Ca 0.60 -0.78 0.05 0.00 0.36 0.00 0.00 54.97 55.20 2jop s GLU 49 Cb -0.25 -2.83 -0.01 0.00 0.26 0.00 0.00 34.13 31.30 2jop s GLU 49 CO 0.19 -0.24 -0.19 0.14 -0.54 0.00 0.00 175.26 174.61 2jop s VAL 50 N 1.37 1.58 -0.96 3.70 -7.23 -0.68 -2.00 120.40 116.19 2jop s VAL 50 Ca 0.04 -0.82 -0.15 0.00 -1.81 0.00 0.00 61.98 59.25 2jop s VAL 50 Cb -0.14 -1.34 0.19 0.00 0.56 0.00 0.00 36.38 35.65 2jop s VAL 50 CO -0.07 0.45 1.04 -0.47 -0.31 0.00 0.00 175.10 175.73 2jop s TYR 51 N -0.15 3.61 -1.14 2.82 5.04 -0.01 -0.23 117.35 127.30 2jop s TYR 51 Ca -0.00 -1.95 -0.10 0.00 -2.44 0.00 0.00 57.07 52.58 2jop s TYR 51 Cb -0.11 -4.04 0.25 0.00 0.35 0.00 0.00 41.96 38.42 2jop s TYR 51 CO 0.02 -1.20 1.19 -0.48 -1.34 0.00 0.00 175.55 173.74 2jop s LEU 52 N 0.91 6.04 0.00 6.97 0.05 -0.81 -4.31 118.68 127.53 2jop s LEU 52 Ca 0.28 -3.47 0.00 0.00 0.05 0.00 0.00 54.13 50.99 2jop s LEU 52 Cb -0.07 -2.26 0.00 0.00 -2.05 0.00 0.00 46.19 41.81 2jop s LEU 52 CO -0.08 -0.39 0.00 0.29 -0.55 0.00 0.00 176.35 175.62 2jop n LYS 53 N 3.38 0.00 -0.01 1.48 5.02 -1.26 -2.69 118.16 124.08 2jop n LYS 53 Ca 0.27 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.65 2jop n LYS 53 Cb 0.40 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.26 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 0.00 0.11 -3.68 4.39 5.68 -1.26 -4.94 116.55 116.84 2jop n ASP 54 Ca 0.00 0.04 -0.10 0.00 -0.50 0.00 0.00 54.79 54.24 2jop n ASP 54 Cb 0.00 1.71 -0.10 0.00 -1.14 0.00 0.00 41.12 41.59 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 -4.59 -0.36 -1.06 6.12 0.00 -1.10 -5.03 107.32 101.30 2jop s GLY 55 Ca -0.07 1.61 -0.23 0.00 0.00 0.00 0.00 44.72 46.03 2jop s GLY 55 CO 0.89 1.92 1.93 0.79 0.00 0.00 0.00 173.10 178.62 2jop n TRP 56 N 4.52 2.44 -2.52 1.90 7.02 -1.25 -1.92 117.44 127.64 2jop n TRP 56 Ca -0.20 -1.51 -0.42 0.00 -1.02 0.00 0.00 57.50 54.35 2jop n TRP 56 Cb 0.54 -2.36 -0.03 0.00 -2.42 0.00 0.00 31.31 27.04 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 9.60 3.45 -0.67 -5.99 3.76 0.68 -4.66 115.29 121.47 2jop s HIS 57 Ca 0.66 1.40 -0.23 0.00 -0.15 0.00 0.00 55.06 56.75 2jop s HIS 57 Cb 0.03 -3.33 0.07 0.00 1.11 0.00 0.00 32.58 30.46 2jop s HIS 57 CO 0.14 -0.91 0.97 -1.64 -0.85 0.00 0.00 174.74 172.45 2jop s MET 58 N 1.30 3.12 0.33 1.40 -1.94 -1.26 -1.68 119.30 120.57 2jop s MET 58 Ca 0.56 -0.85 -0.00 0.00 -1.71 0.00 0.00 55.69 53.69 2jop s MET 58 Cb -0.26 -4.24 -0.04 0.00 2.01 0.00 0.00 34.83 32.30 2jop s MET 58 CO 0.27 -1.82 0.54 0.14 -0.01 0.00 0.00 175.02 174.14 2jop s VAL 59 N 4.06 5.10 -0.48 -6.03 -7.23 0.19 -0.37 120.40 115.63 2jop s VAL 59 Ca 0.22 -0.37 0.06 0.00 -1.81 0.00 0.00 61.98 60.08 2jop s VAL 59 Cb -0.17 -3.83 0.41 0.00 0.56 0.00 0.00 36.38 33.35 2jop s VAL 59 CO 0.10 -0.50 1.27 0.00 -0.31 0.00 0.00 175.10 175.66 2jop n SER 61 N 0.11 0.00 0.00 0.00 7.64 -1.26 -3.72 113.62 116.39 2jop n SER 61 Ca 0.20 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.20 2jop n SER 61 Cb 0.88 0.00 0.67 0.00 -1.01 0.00 0.00 64.21 64.74 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 0.75 -0.83 1.43 -0.00 -1.26 -4.86 117.38 112.60 2jop n GLN 62 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.00 56.69 2jop n GLN 62 Cb 0.00 -1.47 0.15 0.00 -0.00 0.00 0.00 30.24 28.92 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 -1.96 3.20 0.00 2.61 0.01 -1.26 -2.55 113.70 113.76 2jop s SER 63 Ca 0.34 2.06 0.00 0.00 1.31 0.00 0.00 55.95 59.65 2jop s SER 63 Cb 0.15 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.85 2jop s SER 63 CO 0.26 -2.90 0.00 0.79 0.41 0.00 0.00 173.24 171.80 2jop n TRP 64 N -4.09 0.00 0.00 2.43 8.01 0.84 -4.67 117.44 119.96 2jop n TRP 64 Ca 0.11 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.30 2jop n TRP 64 Cb 0.52 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.82 2jop n TRP 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2jop n GLY 65 N 0.00 0.82 3.15 6.99 0.00 -1.19 -4.08 105.19 110.88 2jop n GLY 65 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2jop n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jop s ARG 66 N 0.38 0.74 -0.85 1.61 0.52 -1.06 -5.00 118.95 115.30 2jop s ARG 66 Ca 0.00 -1.13 -0.25 0.00 -0.52 0.00 0.00 55.73 53.83 2jop s ARG 66 Cb 0.00 0.27 0.01 0.00 0.52 0.00 0.00 34.95 35.75 2jop s ARG 66 CO 0.00 -0.19 1.58 -1.12 0.02 0.00 0.00 175.30 175.58 2jop s SER 67 N -2.91 5.92 0.37 0.23 0.01 -1.26 -4.73 113.70 111.33 2jop s SER 67 Ca 0.08 -0.73 0.05 0.00 1.31 0.00 0.00 55.95 56.66 2jop s SER 67 Cb 0.07 -2.56 0.05 0.00 0.21 0.00 0.00 66.02 63.79 2jop s SER 67 CO -0.09 -2.00 0.41 -0.24 0.41 0.00 0.00 173.24 171.72 2jop n SER 68 N 10.74 1.73 -4.35 2.44 2.88 -1.26 -5.09 113.62 120.71 2jop n SER 68 Ca 0.25 -2.12 -0.33 0.00 -1.33 0.00 0.00 58.87 55.34 2jop n SER 68 Cb 0.50 -0.17 -0.15 0.00 -0.75 0.00 0.00 64.21 63.65 2jop n SER 68 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2jop s LYS 69 N -3.62 3.34 7.76 -1.46 2.20 -1.26 -5.01 119.74 121.70 2jop s LYS 69 Ca 0.31 -0.71 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 2jop s LYS 69 Cb -0.02 -2.61 0.00 0.00 -1.51 0.00 0.00 37.83 33.68 2jop s LYS 69 CO 0.20 0.18 0.00 1.04 -0.36 0.00 0.00 175.35 176.41 2jop n GLN 70 N 3.60 0.00 -4.02 4.03 6.02 -1.26 -4.61 117.38 121.14 2jop n GLN 70 Ca -0.18 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.47 2jop n GLN 70 Cb 0.53 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.64 2jop n GLN 70 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2jop s TRP 71 N 0.00 2.92 -0.13 1.08 0.51 -1.26 -4.34 118.94 117.71 2jop s TRP 71 Ca 0.00 -1.46 -0.09 0.00 -2.12 0.00 0.00 56.10 52.43 2jop s TRP 71 Cb 0.00 -2.00 -0.06 0.00 -0.81 0.00 0.00 33.47 30.60 2jop s TRP 71 CO 0.00 -0.72 -0.21 -1.91 -0.51 0.00 0.00 176.95 173.60 2jop n GLU 72 N 4.67 0.34 -3.27 4.98 2.13 -1.26 -4.97 120.64 123.26 2jop n GLU 72 Ca -0.19 0.14 -0.06 0.00 0.66 0.00 0.00 57.16 57.71 2jop n GLU 72 Cb 0.49 -1.08 -0.04 0.00 0.27 0.00 0.00 31.44 31.08 2jop n GLU 72 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2jop s ASP 73 N -6.31 -0.20 -0.09 4.31 -1.08 -1.26 -5.01 116.67 107.03 2jop s ASP 73 Ca -0.21 -0.56 0.08 0.00 -0.52 0.00 0.00 52.55 51.34 2jop s ASP 73 Cb 0.07 1.34 0.41 0.00 -1.46 0.00 0.00 42.92 43.27 2jop s ASP 73 CO 0.28 -0.29 1.19 -0.81 0.52 0.00 0.00 175.17 176.05 2jop n PRO 74 N 5.00 2.76 -0.13 4.34 -0.04 -1.26 -4.31 135.00 141.36 2jop n PRO 74 Ca 0.05 -1.58 0.04 0.00 -0.04 0.00 0.00 63.50 61.97 2jop n PRO 74 Cb 0.51 -1.75 0.11 0.00 -0.04 0.00 0.00 33.50 32.32 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 0.40 2.63 -0.72 3.54 3.41 -1.26 -4.45 113.62 117.18 2jop n SER 75 Ca 0.14 -2.21 0.01 0.00 -0.26 0.00 0.00 58.87 56.55 2jop n SER 75 Cb 0.64 -0.20 0.05 0.00 -0.26 0.00 0.00 64.21 64.45 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 -0.15 1.48 -1.29 4.33 1.13 -1.26 -3.58 117.38 118.04 2jop n GLN 76 Ca 0.09 -0.41 -0.03 0.00 -1.94 0.00 0.00 57.00 54.70 2jop n GLN 76 Cb 0.43 -1.57 -0.03 0.00 0.11 0.00 0.00 30.24 29.18 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 0.10 3.30 -0.21 -1.58 0.00 -1.26 -4.58 120.51 116.27 2jop n ALA 77 Ca 0.04 -1.22 -0.05 0.00 0.00 0.00 0.00 53.44 52.21 2jop n ALA 77 Cb 0.40 -0.49 0.05 0.00 0.00 0.00 0.00 19.45 19.41 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 0.41 0.61 -0.17 0.00 0.02 -1.87 -1.43 113.55 111.12 2jop h SER 78 Ca -0.46 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.48 2jop h SER 78 Cb 1.53 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.93 2jop h SER 78 CO -0.16 0.43 0.08 0.50 -1.14 0.00 0.00 176.83 176.53 2jop h LYS 79 N 0.74 0.30 0.36 3.45 1.63 -1.90 -2.16 116.57 118.98 2jop h LYS 79 Ca 0.24 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.99 2jop h LYS 79 Cb 0.01 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.58 2jop h LYS 79 CO -0.09 0.26 -0.17 0.28 -3.45 0.00 0.00 179.45 176.28 2jop h VAL 80 N 0.30 0.49 0.00 2.00 2.07 -1.54 -1.70 116.25 117.87 2jop h VAL 80 Ca 0.08 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 2jop h VAL 80 Cb 0.08 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2jop h VAL 80 CO -0.01 0.10 -0.16 0.00 0.02 0.00 0.00 177.57 177.53 2jop h GLN 82 N 0.00 0.61 0.00 0.00 4.15 -1.03 0.12 115.11 118.96 2jop h GLN 82 Ca -0.00 -0.26 0.00 0.00 0.77 0.00 0.00 58.65 59.16 2jop h GLN 82 Cb 0.64 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.31 2jop h GLN 82 CO 0.02 0.83 0.00 2.89 -1.93 0.00 0.00 178.83 180.64 2jop n ARG 83 N -4.43 0.05 -0.01 1.69 1.85 -0.65 -1.41 116.66 113.75 2jop n ARG 83 Ca -0.03 0.17 0.13 0.00 -1.00 0.00 0.00 57.85 57.12 2jop n ARG 83 Cb 0.36 -1.57 0.47 0.00 -1.05 0.00 0.00 32.46 30.67 2jop n ARG 83 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2jop n LEU 84 N -1.65 1.63 -1.42 2.89 7.94 -0.31 -4.92 117.00 121.17 2jop n LEU 84 Ca 0.05 -0.57 -0.17 0.00 -1.11 0.00 0.00 56.01 54.21 2jop n LEU 84 Cb 0.27 -0.02 -0.07 0.00 0.53 0.00 0.00 43.42 44.12 2jop n LEU 84 CO 0.21 0.28 -0.16 -0.46 -1.11 0.00 0.00 177.39 176.15 2jop n ASN 85 N 0.28 -5.00 -0.21 1.96 0.23 -0.50 -4.82 115.26 107.20 2jop n ASN 85 Ca 0.18 0.43 0.12 0.00 -0.53 0.00 0.00 54.58 54.78 2jop n ASN 85 Cb 0.37 -4.33 0.28 0.00 -2.08 0.00 0.00 39.78 34.02 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 1.39 0.88 3.86 0.00 0.00 -1.13 -4.56 105.19 105.63 2jop n GLY 87 Ca 0.10 -1.19 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 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 0.49 1.61 1.01 -1.26 -2.41 116.67 116.20 2jop s ASP 88 Ca 0.00 0.81 -0.21 0.00 0.71 0.00 0.00 52.55 53.87 2jop s ASP 88 Cb 0.00 -1.31 -0.08 0.00 1.01 0.00 0.00 42.92 42.54 2jop s ASP 88 CO 0.00 -2.17 1.08 -2.16 0.21 0.00 0.00 175.17 172.12 2jop s PRO 89 N -5.50 3.71 -0.45 8.23 0.04 -1.26 -0.92 135.00 138.84 2jop s PRO 89 Ca 0.63 1.48 -0.40 0.00 0.04 0.00 0.00 61.00 62.75 2jop s PRO 89 Cb -0.12 -2.14 -0.17 0.00 0.04 0.00 0.00 34.50 32.11 2jop s PRO 89 CO 0.51 -0.53 1.93 1.47 0.04 0.00 0.00 177.00 180.42 2jop n LEU 90 N -0.93 0.69 -4.78 -3.56 -0.00 -1.24 -0.45 117.00 106.73 2jop n LEU 90 Ca 0.09 0.62 -0.34 0.00 -0.00 0.00 0.00 56.01 56.39 2jop n LEU 90 Cb 0.51 -0.81 0.01 0.00 -0.00 0.00 0.00 43.42 43.13 2jop n LEU 90 CO 0.41 -0.70 0.76 -0.44 -0.00 0.00 0.00 177.39 177.42 2jop s SER 91 N 5.39 5.57 -0.26 1.45 0.01 0.18 -4.34 113.70 121.70 2jop s SER 91 Ca 1.08 2.06 -0.15 0.00 1.31 0.00 0.00 55.95 60.25 2jop s SER 91 Cb -1.36 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 62.27 2jop s SER 91 CO 0.60 -1.32 0.39 -0.76 0.41 0.00 0.00 173.24 172.56 2jop s LEU 92 N -4.20 4.06 -0.28 2.44 1.43 -1.26 -1.80 118.68 119.06 2jop s LEU 92 Ca 0.69 0.34 -0.21 0.00 -1.03 0.00 0.00 54.13 53.93 2jop s LEU 92 Cb -0.21 -2.46 0.12 0.00 0.03 0.00 0.00 46.19 43.67 2jop s LEU 92 CO 0.32 -0.18 0.97 -0.83 0.23 0.00 0.00 176.35 176.86 2jop s GLY 93 N 1.54 -0.16 0.15 -3.19 0.00 0.42 -4.18 107.32 101.90 2jop s GLY 93 Ca 0.16 2.79 -0.34 0.00 0.00 0.00 0.00 44.72 47.33 2jop s GLY 93 CO 0.09 2.16 1.50 -1.55 0.00 0.00 0.00 173.10 175.30 2jop n PRO 94 N 2.97 1.90 -4.22 2.90 -0.04 -1.26 -0.48 135.00 136.78 2jop n PRO 94 Ca -0.15 0.69 -0.27 0.00 -0.04 0.00 0.00 63.50 63.72 2jop n PRO 94 Cb 0.57 -2.41 -0.08 0.00 -0.04 0.00 0.00 33.50 31.53 2jop n PRO 94 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2jop s PHE 95 N 0.71 2.81 -2.00 0.54 5.36 0.70 -4.69 117.98 121.40 2jop s PHE 95 Ca 0.79 -0.15 0.21 0.00 -0.96 0.00 0.00 56.93 56.82 2jop s PHE 95 Cb -0.74 -1.37 1.23 0.00 -0.34 0.00 0.00 43.02 41.80 2jop s PHE 95 CO 0.41 0.51 1.77 1.47 -1.46 0.00 0.00 175.22 177.92 2jop n LEU 96 N -0.02 0.00 -4.72 6.12 -0.00 -1.26 -4.66 117.00 112.46 2jop n LEU 96 Ca -0.10 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.49 2jop n LEU 96 Cb 0.55 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.94 2jop n LEU 96 CO 0.38 0.00 1.10 -0.75 -0.00 0.00 0.00 177.39 178.12 2jop s LYS 97 N -2.00 4.30 -0.45 1.47 2.47 -1.26 -4.94 119.74 119.33 2jop s LYS 97 Ca 0.31 2.17 -0.29 0.00 -1.56 0.00 0.00 55.97 56.60 2jop s LYS 97 Cb 0.14 -3.20 0.02 0.00 -1.46 0.00 0.00 37.83 33.33 2jop s LYS 97 CO 0.24 -0.46 1.27 0.99 0.16 0.00 0.00 175.35 177.55 2jop s THR 98 N 0.87 4.06 0.58 3.43 2.01 -1.26 -4.71 115.64 120.61 2jop s THR 98 Ca 0.64 1.08 -0.17 0.00 0.31 0.00 0.00 61.69 63.56 2jop s THR 98 Cb -0.39 -4.41 -0.04 0.00 0.01 0.00 0.00 72.50 67.66 2jop s THR 98 CO 0.33 -0.89 1.06 -0.47 -0.69 0.00 0.00 174.62 173.96 2jop s TYR 99 N 4.92 2.97 -0.06 4.92 5.04 -1.26 -5.07 117.35 128.81 2jop s TYR 99 Ca 0.54 1.52 -0.04 0.00 -2.44 0.00 0.00 57.07 56.66 2jop s TYR 99 Cb -0.10 -3.03 0.02 0.00 0.35 0.00 0.00 41.96 39.20 2jop s TYR 99 CO 0.32 -1.10 0.14 -0.08 -1.34 0.00 0.00 175.55 173.49 2jop s THR 100 N -2.35 -0.02 -2.00 4.34 -1.32 -1.26 -5.04 115.64 107.99 2jop s THR 100 Ca 0.65 0.07 0.16 0.00 -1.21 0.00 0.00 61.69 61.35 2jop s THR 100 Cb -0.16 -0.22 0.45 0.00 -1.51 0.00 0.00 72.50 71.06 2jop s THR 100 CO 0.34 0.03 1.47 -2.65 -2.21 0.00 0.00 174.62 171.60 2jop n PRO 101 N 3.47 0.80 0.02 7.08 -0.02 -1.26 -1.92 135.00 143.18 2jop n PRO 101 Ca -0.18 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.29 2jop n PRO 101 Cb 0.56 -1.31 -0.00 0.00 -0.02 0.00 0.00 33.50 32.73 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 -0.81 0.06 0.20 -0.52 -0.06 -1.26 -3.83 117.38 111.15 2jop n GLN 102 Ca 0.12 0.02 0.06 0.00 -2.00 0.00 0.00 57.00 55.20 2jop n GLN 102 Cb 0.05 -0.49 0.39 0.00 -4.06 0.00 0.00 30.24 26.13 2jop n GLN 102 CO 0.00 0.00 0.00 0.77 -0.20 0.00 0.00 177.06 177.63 2jop h SER 103 N -0.11 0.00 -1.61 1.69 0.02 -2.00 -3.44 113.55 108.10 2jop h SER 103 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 2jop h SER 103 Cb 0.11 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.57 2jop h SER 103 CO 0.00 0.35 -0.49 -0.44 -1.14 0.00 0.00 176.83 175.12 2jop s SER 104 N -6.54 4.53 0.07 3.07 0.01 -0.81 -4.67 113.70 109.36 2jop s SER 104 Ca -0.01 -1.01 -0.02 0.00 1.31 0.00 0.00 55.95 56.23 2jop s SER 104 Cb 0.12 -0.51 -0.04 0.00 0.21 0.00 0.00 66.02 65.80 2jop s SER 104 CO 0.68 -0.53 0.00 0.27 0.41 0.00 0.00 173.24 174.07 2jop s ILE 105 N -2.57 0.20 -0.32 1.44 -5.25 0.50 -4.50 121.20 110.70 2jop s ILE 105 Ca 0.42 -1.78 -0.05 0.00 -0.99 0.00 0.00 60.65 58.25 2jop s ILE 105 Cb 0.02 -1.59 0.04 0.00 2.95 0.00 0.00 42.46 43.88 2jop s ILE 105 CO 0.23 -0.89 0.06 -0.63 -1.79 0.00 0.00 174.94 171.93 2jop s ILE 106 N -3.94 3.51 0.58 8.37 1.01 0.31 -2.71 121.20 128.33 2jop s ILE 106 Ca 0.10 -1.18 -0.09 0.00 0.00 0.00 0.00 60.65 59.48 2jop s ILE 106 Cb 0.08 -2.98 -0.03 0.00 0.01 0.00 0.00 42.46 39.54 2jop s ILE 106 CO -0.08 -0.13 0.94 0.00 0.00 0.00 0.00 174.94 175.67 2jop s TYR 108 N -3.04 1.19 0.00 0.00 2.02 -1.15 -0.11 117.35 116.26 2jop s TYR 108 Ca 0.53 -1.15 0.00 0.00 -0.37 0.00 0.00 57.07 56.08 2jop s TYR 108 Cb -0.11 -0.67 0.00 0.00 -0.40 0.00 0.00 41.96 40.78 2jop s TYR 108 CO 0.50 -0.36 0.00 0.41 -1.57 0.00 0.00 175.55 174.52 2jop n GLY 109 N -0.26 0.29 3.68 0.71 0.00 -1.26 -4.57 105.19 103.79 2jop n GLY 109 Ca -0.04 -2.15 -0.43 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.27 1.61 -0.21 -1.26 -4.47 119.66 119.38 2jop s GLN 110 Ca 0.00 1.65 -0.35 0.00 0.02 0.00 0.00 55.36 56.68 2jop s GLN 110 Cb 0.00 -3.62 -0.12 0.00 1.00 0.00 0.00 33.01 30.28 2jop s GLN 110 CO 0.00 -0.52 2.06 -0.11 -2.12 0.00 0.00 175.29 174.60 2jop n LEU 111 N 5.62 2.56 0.00 2.90 7.94 -1.26 -0.13 117.00 134.63 2jop n LEU 111 Ca 0.12 0.62 0.00 0.00 -1.11 0.00 0.00 56.01 55.64 2jop n LEU 111 Cb 0.46 -1.29 0.00 0.00 0.53 0.00 0.00 43.42 43.12 2jop n LEU 111 CO 0.55 -0.53 0.00 0.61 -1.11 0.00 0.00 177.39 176.91 2jop n GLY 112 N 5.65 1.98 3.19 -3.96 0.00 -1.26 -5.05 105.19 105.75 2jop n GLY 112 Ca 0.34 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.83 5.70 -0.33 1.61 0.01 0.82 -3.88 113.70 115.81 2jop s SER 113 Ca 0.00 -2.20 -0.00 0.00 1.31 0.00 0.00 55.95 55.05 2jop s SER 113 Cb 0.00 -1.99 0.27 0.00 0.21 0.00 0.00 66.02 64.51 2jop s SER 113 CO 0.00 -0.60 1.90 0.49 0.41 0.00 0.00 173.24 175.43 2jop n PHE 114 N 4.49 1.70 -0.97 2.43 3.01 0.67 -4.28 117.46 124.52 2jop n PHE 114 Ca -0.02 -1.89 0.06 0.00 1.01 0.00 0.00 57.45 56.61 2jop n PHE 114 Cb 0.41 -0.92 0.35 0.00 -0.01 0.00 0.00 39.48 39.31 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 0.08 5.03 -3.61 4.37 7.64 -1.26 -4.88 113.62 120.98 2jop n SER 115 Ca 0.33 -3.02 -0.03 0.00 1.01 0.00 0.00 58.87 57.16 2jop n SER 115 Cb 0.71 -0.65 -0.06 0.00 -1.01 0.00 0.00 64.21 63.20 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 -1.20 -0.75 0.32 6.43 2.47 -1.26 -5.14 114.94 115.81 2jop s ASN 116 Ca 0.51 1.15 0.04 0.00 0.42 0.00 0.00 52.86 54.99 2jop s ASN 116 Cb 0.40 1.46 -0.03 0.00 -1.45 0.00 0.00 41.25 41.63 2jop s ASN 116 CO 0.13 -0.18 0.19 0.00 -3.72 0.00 0.00 177.10 173.53 2jop n SER 118 N -1.15 -1.63 -4.99 0.00 7.64 0.20 -4.76 113.62 108.94 2jop n SER 118 Ca 0.02 -2.74 -0.18 0.00 1.01 0.00 0.00 58.87 56.98 2jop n SER 118 Cb 0.64 2.89 0.01 0.00 -1.01 0.00 0.00 64.21 66.74 2jop n SER 118 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2jop s HIS 119 N -2.80 2.52 -0.71 1.43 3.76 -1.26 -0.53 115.29 117.69 2jop s HIS 119 Ca 0.24 -0.49 -0.26 0.00 -0.15 0.00 0.00 55.06 54.41 2jop s HIS 119 Cb -0.02 -2.30 -0.04 0.00 1.11 0.00 0.00 32.58 31.32 2jop s HIS 119 CO 0.17 -0.50 1.98 0.45 -0.85 0.00 0.00 174.74 175.99 2jop s SER 120 N -4.37 5.06 0.00 1.40 0.15 -1.25 -4.30 113.70 110.40 2jop s SER 120 Ca 0.54 0.04 0.00 0.00 0.70 0.00 0.00 55.95 57.24 2jop s SER 120 Cb -0.08 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 2jop s SER 120 CO 0.33 -2.65 0.00 -1.14 1.20 0.00 0.00 173.24 170.98 2jop n ARG 121 N 9.04 0.00 -0.06 5.44 0.63 -1.26 -4.80 116.66 125.64 2jop n ARG 121 Ca 0.30 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 57.15 2jop n ARG 121 Cb 0.50 -0.01 -0.07 0.00 0.45 0.00 0.00 32.46 33.32 2jop n ARG 121 CO 0.00 0.00 0.00 -2.95 -2.51 0.00 0.00 177.63 172.17 2jop h ASN 122 N 0.00 0.00 0.16 6.15 -1.07 -2.03 -3.38 115.58 115.40 2jop h ASN 122 Ca 0.00 -0.57 -0.26 0.00 0.07 0.00 0.00 56.30 55.54 2jop h ASN 122 Cb 0.00 0.00 0.03 0.00 -2.07 0.00 0.00 38.32 36.28 2jop h ASN 122 CO 0.00 0.79 -1.12 -0.78 0.07 0.00 0.00 177.43 176.39 2jop h ASP 123 N -1.00 0.72 -5.41 6.14 3.58 -1.93 -3.49 116.42 115.03 2jop h ASP 123 Ca -0.00 -0.89 -0.03 0.00 0.42 0.00 0.00 57.03 56.53 2jop h ASP 123 Cb 0.58 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2jop h ASP 123 CO -0.00 1.54 -0.47 0.23 -2.88 0.00 0.00 179.24 177.66 2jop n MET 124 N -3.92 -2.16 -1.84 0.28 2.81 -1.26 -4.88 117.12 106.16 2jop n MET 124 Ca -0.14 1.95 -0.42 0.00 -1.81 0.00 0.00 57.70 57.28 2jop n MET 124 Cb 0.94 -5.40 -0.02 0.00 -0.71 0.00 0.00 33.22 28.03 2jop n MET 124 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2jop s HIS 126 N 0.28 2.58 -1.25 0.00 3.76 -1.26 -4.90 115.29 114.50 2jop s HIS 126 Ca 0.65 1.56 -0.20 0.00 -0.15 0.00 0.00 55.06 56.91 2jop s HIS 126 Cb -0.46 -3.08 -0.00 0.00 1.11 0.00 0.00 32.58 30.14 2jop s HIS 126 CO 0.43 -1.78 1.83 0.43 -0.85 0.00 0.00 174.74 174.80 2jop n SER 127 N -3.24 4.11 -4.70 1.40 7.64 -1.26 -4.92 113.62 112.65 2jop n SER 127 Ca 0.09 -2.82 -0.42 0.00 1.01 0.00 0.00 58.87 56.73 2jop n SER 127 Cb 0.53 -1.74 -0.03 0.00 -1.01 0.00 0.00 64.21 61.95 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 7.19 4.36 -0.11 -3.43 2.01 -1.24 -0.22 118.68 127.24 2jop s LEU 128 Ca 0.60 2.41 -0.02 0.00 0.01 0.00 0.00 54.13 57.13 2jop s LEU 128 Cb 0.02 -3.58 -0.03 0.00 0.01 0.00 0.00 46.19 42.61 2jop s LEU 128 CO 0.10 -0.78 -0.03 -0.83 1.01 0.00 0.00 176.35 175.83 2jop s GLY 129 N 1.62 1.77 -0.12 -3.19 0.00 0.37 -4.35 107.32 103.42 2jop s GLY 129 Ca 0.69 -0.83 -0.04 0.00 0.00 0.00 0.00 44.72 44.53 2jop s GLY 129 CO 0.30 -0.41 0.04 1.08 0.00 0.00 0.00 173.10 174.11 2jop s LEU 130 N -0.42 3.74 -0.25 0.66 1.43 -1.12 -0.44 118.68 122.28 2jop s LEU 130 Ca 0.07 0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 53.29 2jop s LEU 130 Cb -0.12 -1.89 0.10 0.00 0.03 0.00 0.00 46.19 44.31 2jop s LEU 130 CO 0.02 0.31 0.20 0.28 0.23 0.00 0.00 176.35 177.39 2jop s THR 131 N -0.45 -0.24 -0.70 5.49 -1.32 -0.75 -1.65 115.64 116.02 2jop s THR 131 Ca 0.09 -0.43 -0.32 0.00 -1.21 0.00 0.00 61.69 59.82 2jop s THR 131 Cb -0.12 -0.85 -0.16 0.00 -1.51 0.00 0.00 72.50 69.86 2jop s THR 131 CO 0.02 -0.46 2.48 0.00 -2.21 0.00 0.00 174.62 174.45 2jop n LEU 133 N 11.51 0.00 0.00 0.00 7.94 0.40 -4.61 117.00 132.24 2jop n LEU 133 Ca 0.53 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.43 2jop n LEU 133 Cb 0.19 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.14 2jop n LEU 133 CO 0.84 0.00 0.14 -1.84 -1.11 0.00 0.00 177.39 175.42