#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 -0.03 6.15 1.43 -1.26 -5.01 118.68 124.35 2jop s LEU 26 Ca 0.00 0.50 0.02 0.00 -1.03 0.00 0.00 54.13 53.62 2jop s LEU 26 Cb 0.00 -2.41 0.01 0.00 0.03 0.00 0.00 46.19 43.82 2jop s LEU 26 CO 0.00 0.32 -0.07 -0.94 0.23 0.00 0.00 176.35 175.89 2jop s SER 27 N -1.44 1.02 0.16 2.29 1.04 -1.25 -0.22 113.70 115.30 2jop s SER 27 Ca 0.22 -0.15 0.24 0.00 0.48 0.00 0.00 55.95 56.74 2jop s SER 27 Cb -0.13 -0.30 0.91 0.00 0.10 0.00 0.00 66.02 66.60 2jop s SER 27 CO 0.12 0.04 1.74 -2.67 0.98 0.00 0.00 173.24 173.44 2jop n TRP 28 N 3.41 0.62 1.05 5.02 4.27 -1.14 -1.90 117.44 128.77 2jop n TRP 28 Ca -0.19 0.21 0.11 0.00 -3.89 0.00 0.00 57.50 53.74 2jop n TRP 28 Cb 0.54 -0.84 0.34 0.00 -1.36 0.00 0.00 31.31 29.99 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 -2.03 0.25 -2.43 -2.67 4.11 -1.26 -4.84 117.16 108.29 2jop n TYR 29 Ca 0.04 -0.13 -0.41 0.00 -0.00 0.00 0.00 57.90 57.41 2jop n TYR 29 Cb 0.31 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.61 2jop n TYR 29 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 2jop s ASP 30 N -1.58 7.18 0.59 9.48 -1.08 -0.80 -4.93 116.67 125.53 2jop s ASP 30 Ca 0.34 2.25 0.32 0.00 -0.52 0.00 0.00 52.55 54.93 2jop s ASP 30 Cb 0.19 -2.62 1.85 0.00 -1.46 0.00 0.00 42.92 40.88 2jop s ASP 30 CO 0.28 -0.25 2.24 1.55 0.52 0.00 0.00 175.17 179.50 2jop h PRO 31 N 4.51 0.00 -0.59 4.34 0.13 -1.89 -1.52 132.00 136.98 2jop h PRO 31 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2jop h PRO 31 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2jop h PRO 31 CO 0.70 0.02 0.00 -3.47 -0.23 0.00 0.00 178.00 175.03 2jop n ASP 32 N -3.68 5.72 -4.48 1.44 2.03 -1.26 -4.87 116.55 111.45 2jop n ASP 32 Ca -0.03 -2.91 -0.36 0.00 0.52 0.00 0.00 54.79 52.02 2jop n ASP 32 Cb 0.11 -0.68 -0.12 0.00 -0.72 0.00 0.00 41.12 39.71 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 -2.72 3.10 -0.03 -0.67 2.19 -0.57 -5.09 117.98 114.20 2jop s PHE 33 Ca 0.55 -0.33 -0.20 0.00 0.33 0.00 0.00 56.93 57.27 2jop s PHE 33 Cb 0.41 -2.18 -0.05 0.00 -1.31 0.00 0.00 43.02 39.90 2jop s PHE 33 CO 0.17 -0.24 0.59 -0.65 1.83 0.00 0.00 175.22 176.91 2jop s GLN 34 N 1.27 4.33 -0.14 10.12 1.11 -1.26 -4.89 119.66 130.19 2jop s GLN 34 Ca 0.05 0.70 -0.21 0.00 0.01 0.00 0.00 55.36 55.91 2jop s GLN 34 Cb -0.15 -3.37 0.05 0.00 -1.01 0.00 0.00 33.01 28.54 2jop s GLN 34 CO 0.03 0.30 0.55 0.00 0.01 0.00 0.00 175.29 176.18 2jop s ALA 35 N 0.05 -1.38 0.07 6.09 0.00 -1.26 -0.57 121.76 124.75 2jop s ALA 35 Ca 0.31 1.32 -0.19 0.00 0.00 0.00 0.00 51.96 53.40 2jop s ALA 35 Cb -0.18 -0.55 0.07 0.00 0.00 0.00 0.00 23.12 22.46 2jop s ALA 35 CO 0.16 -0.29 0.90 2.89 0.00 0.00 0.00 175.76 179.42 2jop n ARG 36 N 2.10 0.33 -4.05 0.00 1.85 -0.50 -4.83 116.66 111.55 2jop n ARG 36 Ca -0.16 -0.89 -0.33 0.00 -1.00 0.00 0.00 57.85 55.47 2jop n ARG 36 Cb 0.56 1.29 -0.07 0.00 -1.05 0.00 0.00 32.46 33.20 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 4.03 0.26 2.89 1.43 -1.26 -0.48 118.68 125.55 2jop s LEU 37 Ca 0.21 0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.55 2jop s LEU 37 Cb -0.01 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 2jop s LEU 37 CO 0.02 0.29 0.17 0.42 0.23 0.00 0.00 176.35 177.48 2jop s THR 38 N -1.19 0.13 -1.50 5.49 -4.23 0.68 -4.82 115.64 110.21 2jop s THR 38 Ca 0.23 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 2jop s THR 38 Cb -0.12 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.21 2jop s THR 38 CO 0.13 0.00 0.00 0.54 -0.54 0.00 0.00 174.62 174.75 2jop n ARG 39 N -0.46 -0.98 0.00 3.99 3.00 -1.26 -2.36 116.66 118.59 2jop n ARG 39 Ca 0.03 1.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.86 2jop n ARG 39 Cb 0.65 -5.09 0.00 0.00 0.00 0.00 0.00 32.46 28.01 2jop n ARG 39 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2jop n SER 40 N -0.28 0.72 -0.08 0.55 3.41 -1.26 -4.88 113.62 111.79 2jop n SER 40 Ca -0.14 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.50 2jop n SER 40 Cb 0.46 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.46 2jop n SER 40 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2jop n ASN 41 N 0.00 1.63 -3.86 4.04 0.23 -1.26 -5.03 115.26 111.01 2jop n ASN 41 Ca 0.00 -2.26 -0.18 0.00 -0.53 0.00 0.00 54.58 51.60 2jop n ASN 41 Cb 0.00 -0.18 -0.16 0.00 -2.08 0.00 0.00 39.78 37.36 2jop n ASN 41 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2jop s SER 42 N -1.55 0.65 0.06 0.53 0.15 -1.24 -4.98 113.70 107.32 2jop s SER 42 Ca 0.12 -0.07 0.23 0.00 0.70 0.00 0.00 55.95 56.92 2jop s SER 42 Cb 0.10 -0.33 0.93 0.00 -1.71 0.00 0.00 66.02 65.02 2jop s SER 42 CO 0.01 -0.08 1.72 2.29 1.20 0.00 0.00 173.24 178.38 2jop n LYS 43 N 4.07 0.05 -0.14 5.44 2.85 -1.26 -2.55 118.16 126.62 2jop n LYS 43 Ca -0.26 0.17 0.06 0.00 -1.05 0.00 0.00 58.31 57.22 2jop n LYS 43 Cb 0.51 -1.58 0.14 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 -1.00 0.59 0.00 0.00 0.74 -1.06 -0.24 119.66 118.69 2jop s GLN 45 Ca 0.22 1.27 0.00 0.00 0.05 0.00 0.00 55.36 56.90 2jop s GLN 45 Cb 0.12 0.46 0.00 0.00 1.10 0.00 0.00 33.01 34.69 2jop s GLN 45 CO 0.17 -0.18 0.00 0.41 -0.55 0.00 0.00 175.29 175.13 2jop n GLY 46 N 4.90 -2.86 3.84 2.59 0.00 -0.96 -3.60 105.19 109.11 2jop n GLY 46 Ca -0.16 -1.32 -0.32 0.00 0.00 0.00 0.00 46.02 44.22 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 4.03 0.05 1.61 -1.52 -1.00 -3.42 119.66 117.41 2jop s GLN 47 Ca 0.00 0.85 -0.30 0.00 -1.95 0.00 0.00 55.36 53.96 2jop s GLN 47 Cb 0.00 -2.27 -0.04 0.00 -0.22 0.00 0.00 33.01 30.47 2jop s GLN 47 CO 0.00 -0.03 0.97 -1.17 -0.25 0.00 0.00 175.29 174.81 2jop s LEU 48 N -3.44 4.43 -0.07 2.90 1.98 -1.25 -0.23 118.68 123.00 2jop s LEU 48 Ca 0.57 1.71 0.00 0.00 -2.89 0.00 0.00 54.13 53.53 2jop s LEU 48 Cb -0.10 -3.57 0.02 0.00 0.66 0.00 0.00 46.19 43.20 2jop s LEU 48 CO 0.21 -0.18 -0.06 -0.70 -1.89 0.00 0.00 176.35 173.74 2jop s GLU 49 N 0.57 1.14 0.03 1.98 2.12 0.37 -0.88 118.70 124.03 2jop s GLU 49 Ca 0.50 -0.16 0.09 0.00 0.36 0.00 0.00 54.97 55.76 2jop s GLU 49 Cb -0.22 -1.18 -0.03 0.00 0.26 0.00 0.00 34.13 32.96 2jop s GLU 49 CO 0.29 -0.16 -0.25 0.14 -0.54 0.00 0.00 175.26 174.74 2jop s VAL 50 N 1.32 2.03 -0.47 3.70 -7.23 -0.67 -1.41 120.40 117.66 2jop s VAL 50 Ca -0.04 -1.29 -0.17 0.00 -1.81 0.00 0.00 61.98 58.67 2jop s VAL 50 Cb -0.14 -1.72 0.05 0.00 0.56 0.00 0.00 36.38 35.13 2jop s VAL 50 CO -0.03 0.38 0.48 -0.47 -0.31 0.00 0.00 175.10 175.15 2jop s TYR 51 N -0.76 3.16 -0.13 2.82 5.04 0.26 -0.31 117.35 127.43 2jop s TYR 51 Ca 0.11 -0.65 0.00 0.00 -2.44 0.00 0.00 57.07 54.09 2jop s TYR 51 Cb -0.10 -3.19 0.02 0.00 0.35 0.00 0.00 41.96 39.04 2jop s TYR 51 CO 0.01 -0.84 -0.13 -0.48 -1.34 0.00 0.00 175.55 172.78 2jop s LEU 52 N 2.09 1.58 0.00 6.97 0.05 -0.68 -4.26 118.68 124.42 2jop s LEU 52 Ca 0.10 -0.43 0.00 0.00 0.05 0.00 0.00 54.13 53.84 2jop s LEU 52 Cb -0.21 -1.08 0.00 0.00 -2.05 0.00 0.00 46.19 42.85 2jop s LEU 52 CO 0.10 -0.05 0.00 0.29 -0.55 0.00 0.00 176.35 176.14 2jop n LYS 53 N 4.68 0.00 0.00 1.48 4.76 -1.26 -1.34 118.16 126.49 2jop n LYS 53 Ca -0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 2jop n LYS 53 Cb 0.50 -0.09 0.00 0.00 -1.84 0.00 0.00 35.03 33.61 2jop n LYS 53 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2jop n ASP 54 N 1.16 0.00 -4.60 4.39 5.75 -1.26 -5.10 116.55 116.89 2jop n ASP 54 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.35 2jop n ASP 54 Cb 0.00 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.07 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 1.07 -1.13 6.12 0.00 -0.45 -4.93 107.32 108.00 2jop s GLY 55 Ca 0.00 -0.28 -0.22 0.00 0.00 0.00 0.00 44.72 44.22 2jop s GLY 55 CO 0.00 2.75 1.86 -0.98 0.00 0.00 0.00 173.10 176.74 2jop s TRP 56 N 5.50 2.11 -0.27 1.90 0.52 -1.25 -1.69 118.94 125.76 2jop s TRP 56 Ca 0.59 0.02 -0.29 0.00 0.02 0.00 0.00 56.10 56.44 2jop s TRP 56 Cb -0.12 -4.20 0.01 0.00 -1.15 0.00 0.00 33.47 28.01 2jop s TRP 56 CO 0.31 -1.48 1.05 -1.01 0.02 0.00 0.00 176.95 175.84 2jop s HIS 57 N 9.14 3.26 -0.51 -1.98 3.76 0.57 -4.77 115.29 124.76 2jop s HIS 57 Ca 0.64 1.34 -0.28 0.00 -0.15 0.00 0.00 55.06 56.62 2jop s HIS 57 Cb -0.01 -3.44 0.00 0.00 1.11 0.00 0.00 32.58 30.24 2jop s HIS 57 CO 0.07 -0.60 1.54 1.41 -0.85 0.00 0.00 174.74 176.31 2jop s MET 58 N 3.38 3.25 0.14 1.40 1.75 -1.26 -1.67 119.30 126.30 2jop s MET 58 Ca 0.44 0.71 0.10 0.00 -1.25 0.00 0.00 55.69 55.69 2jop s MET 58 Cb -0.14 -4.16 -0.04 0.00 2.84 0.00 0.00 34.83 33.33 2jop s MET 58 CO 0.10 -1.98 -0.22 0.54 -0.65 0.00 0.00 175.02 172.81 2jop s VAL 59 N 6.52 2.54 0.17 10.11 0.11 -0.06 -0.50 120.40 139.30 2jop s VAL 59 Ca 0.60 -1.73 -0.30 0.00 -2.93 0.00 0.00 61.98 57.62 2jop s VAL 59 Cb -0.13 -2.17 -0.07 0.00 -1.53 0.00 0.00 36.38 32.47 2jop s VAL 59 CO 0.27 0.03 1.01 0.00 -3.33 0.00 0.00 175.10 173.09 2jop n SER 61 N 2.29 0.20 0.00 0.00 7.64 -1.25 -1.91 113.62 120.59 2jop n SER 61 Ca 0.01 -0.49 0.00 0.00 1.01 0.00 0.00 58.87 59.40 2jop n SER 61 Cb 0.47 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 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 0.22 0.85 -1.33 1.43 -0.00 -1.26 -4.95 117.38 112.35 2jop n GLN 62 Ca 0.00 -0.75 -0.30 0.00 -0.00 0.00 0.00 57.00 55.95 2jop n GLN 62 Cb 0.05 -0.68 0.21 0.00 -0.00 0.00 0.00 30.24 29.83 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 -0.30 1.78 0.00 2.61 0.01 -0.80 -1.65 113.70 115.34 2jop s SER 63 Ca 0.00 0.61 0.00 0.00 1.31 0.00 0.00 55.95 57.87 2jop s SER 63 Cb 0.00 -0.86 0.00 0.00 0.21 0.00 0.00 66.02 65.37 2jop s SER 63 CO 0.00 -3.59 0.00 0.79 0.41 0.00 0.00 173.24 170.85 2jop n TRP 64 N -4.40 0.00 0.23 2.43 8.01 0.92 -3.51 117.44 121.12 2jop n TRP 64 Ca 0.13 0.00 0.11 0.00 -1.31 0.00 0.00 57.50 56.43 2jop n TRP 64 Cb 0.59 0.00 0.44 0.00 -2.01 0.00 0.00 31.31 30.33 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 -4.10 6.99 0.00 -1.76 -3.20 103.07 101.01 2jop h GLY 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jop h GLY 65 CO 0.00 0.00 -0.91 0.54 0.00 0.00 0.00 176.54 176.17 2jop n ARG 66 N -3.28 -3.11 -4.62 4.80 1.74 -0.66 -5.06 116.66 106.47 2jop n ARG 66 Ca 0.01 2.49 -0.24 0.00 -0.77 0.00 0.00 57.85 59.33 2jop n ARG 66 Cb 0.44 -3.50 -0.14 0.00 -1.02 0.00 0.00 32.46 28.24 2jop n ARG 66 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2jop s SER 67 N -0.41 2.22 0.00 0.55 0.15 -0.81 -5.02 113.70 110.37 2jop s SER 67 Ca -0.13 -0.47 0.09 0.00 0.70 0.00 0.00 55.95 56.14 2jop s SER 67 Cb 0.01 -0.19 0.12 0.00 -1.71 0.00 0.00 66.02 64.25 2jop s SER 67 CO 0.35 0.14 0.89 -1.54 1.20 0.00 0.00 173.24 174.28 2jop n SER 68 N 2.01 2.01 0.00 5.45 3.41 -1.26 -4.86 113.62 120.37 2jop n SER 68 Ca -0.17 -1.53 0.00 0.00 -0.26 0.00 0.00 58.87 56.91 2jop n SER 68 Cb 0.54 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 2jop n SER 68 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2jop n LYS 69 N 0.47 0.00 -3.57 4.33 4.81 -1.26 -4.98 118.16 117.96 2jop n LYS 69 Ca 0.06 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.43 2jop n LYS 69 Cb 0.27 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.29 2jop n LYS 69 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 2jop s GLN 70 N -0.78 0.52 -0.01 1.64 1.03 -1.26 -4.60 119.66 116.19 2jop s GLN 70 Ca 0.00 -0.07 -0.01 0.00 0.04 0.00 0.00 55.36 55.33 2jop s GLN 70 Cb 0.00 0.24 -0.04 0.00 0.03 0.00 0.00 33.01 33.24 2jop s GLN 70 CO 0.00 -0.20 0.08 -1.58 -2.54 0.00 0.00 175.29 171.05 2jop s TRP 71 N -2.03 3.28 -1.34 9.60 0.52 -1.26 -5.01 118.94 122.70 2jop s TRP 71 Ca 0.04 0.21 0.20 0.00 0.02 0.00 0.00 56.10 56.57 2jop s TRP 71 Cb -0.01 -1.75 -0.12 0.00 -1.15 0.00 0.00 33.47 30.45 2jop s TRP 71 CO -0.04 0.55 0.90 -1.91 0.02 0.00 0.00 176.95 176.47 2jop n GLU 72 N 1.26 0.98 -3.87 4.98 2.13 -1.26 -4.57 120.64 120.30 2jop n GLU 72 Ca -0.14 -0.43 -0.30 0.00 0.66 0.00 0.00 57.16 56.95 2jop n GLU 72 Cb 0.53 -1.41 -0.14 0.00 0.27 0.00 0.00 31.44 30.69 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 -2.57 4.22 -0.29 4.31 2.15 -1.26 -4.98 116.67 118.25 2jop s ASP 73 Ca 0.12 -2.45 0.01 0.00 0.43 0.00 0.00 52.55 50.66 2jop s ASP 73 Cb 0.15 -1.35 0.34 0.00 -0.30 0.00 0.00 42.92 41.76 2jop s ASP 73 CO 0.66 -0.31 1.68 -0.81 -0.17 0.00 0.00 175.17 176.22 2jop n PRO 74 N 3.82 1.78 0.00 4.34 -0.04 -1.26 -4.91 135.00 138.74 2jop n PRO 74 Ca 0.04 -1.75 0.00 0.00 -0.04 0.00 0.00 63.50 61.75 2jop n PRO 74 Cb 0.37 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 2jop n PRO 74 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2jop n SER 75 N -0.26 0.00 0.00 3.54 2.88 -1.26 -4.48 113.62 114.04 2jop n SER 75 Ca 0.34 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 2jop n SER 75 Cb 0.99 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.45 2jop n SER 75 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jop n GLN 76 N 0.00 0.00 -0.14 -1.46 1.13 -1.26 -4.49 117.38 111.16 2jop n GLN 76 Ca 0.00 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 55.08 2jop n GLN 76 Cb 0.00 -0.12 0.08 0.00 0.11 0.00 0.00 30.24 30.31 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 2.65 -0.34 -1.58 0.00 -1.26 -4.04 120.51 115.95 2jop n ALA 77 Ca 0.00 -0.34 0.09 0.00 0.00 0.00 0.00 53.44 53.19 2jop n ALA 77 Cb 0.00 -1.01 0.28 0.00 0.00 0.00 0.00 19.45 18.72 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 0.84 0.85 -0.59 0.00 4.64 -1.86 -0.29 113.55 117.13 2jop h SER 78 Ca 0.00 0.05 0.01 0.00 -0.47 0.00 0.00 61.79 61.38 2jop h SER 78 Cb 0.55 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.49 2jop h SER 78 CO 0.06 0.44 0.39 0.50 -0.87 0.00 0.00 176.83 177.35 2jop h LYS 79 N 0.90 0.75 -0.03 4.77 3.11 -1.94 0.15 116.57 124.28 2jop h LYS 79 Ca 0.49 -0.04 -0.05 0.00 -2.81 0.00 0.00 60.65 58.23 2jop h LYS 79 Cb 0.57 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.63 2jop h LYS 79 CO -0.25 0.49 -0.17 -0.39 -2.81 0.00 0.00 179.45 176.32 2jop h VAL 80 N 0.77 1.49 0.00 2.00 -1.51 -1.36 -2.49 116.25 115.15 2jop h VAL 80 Ca 0.22 -1.70 -0.05 0.00 -1.23 0.00 0.00 66.70 63.94 2jop h VAL 80 Cb -0.04 2.53 -0.01 0.00 -2.13 0.00 0.00 31.29 31.64 2jop h VAL 80 CO -0.05 0.47 -0.26 0.00 -1.23 0.00 0.00 177.57 176.50 2jop h GLN 82 N 0.00 -0.06 0.00 0.00 4.15 -0.65 0.15 115.11 118.70 2jop h GLN 82 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2jop h GLN 82 Cb 0.93 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.63 2jop h GLN 82 CO 0.03 -0.04 0.00 0.54 -1.93 0.00 0.00 178.83 177.43 2jop n ARG 83 N -5.23 0.10 -0.11 1.69 1.74 -0.94 -1.37 116.66 112.54 2jop n ARG 83 Ca -0.03 0.15 0.11 0.00 -0.77 0.00 0.00 57.85 57.31 2jop n ARG 83 Cb 0.15 -1.63 0.31 0.00 -1.02 0.00 0.00 32.46 30.27 2jop n ARG 83 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2jop n LEU 84 N -1.80 2.27 -3.68 0.55 4.77 -0.60 -4.94 117.00 113.57 2jop n LEU 84 Ca 0.06 -0.95 -0.27 0.00 -0.03 0.00 0.00 56.01 54.81 2jop n LEU 84 Cb 0.33 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 2jop n LEU 84 CO 0.25 0.48 -0.05 -0.46 -1.33 0.00 0.00 177.39 176.27 2jop n ASN 85 N 0.73 -2.91 -1.26 -1.43 6.94 0.17 -4.82 115.26 112.68 2jop n ASN 85 Ca 0.17 -0.59 0.11 0.00 -0.02 0.00 0.00 54.58 54.25 2jop n ASN 85 Cb 0.43 -2.44 0.30 0.00 -2.36 0.00 0.00 39.78 35.70 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 1.41 0.80 3.87 0.00 0.00 -1.24 -4.41 105.19 105.62 2jop n GLY 87 Ca 0.23 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 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 -3.51 116.67 115.28 2jop s ASP 88 Ca 0.00 0.81 -0.20 0.00 0.18 0.00 0.00 52.55 53.34 2jop s ASP 88 Cb 0.00 -1.30 -0.07 0.00 1.07 0.00 0.00 42.92 42.62 2jop s ASP 88 CO 0.00 -2.13 1.08 -2.16 1.18 0.00 0.00 175.17 173.13 2jop s PRO 89 N -5.51 3.59 -0.34 8.23 0.04 -1.26 -0.90 135.00 138.85 2jop s PRO 89 Ca 0.63 1.46 -0.31 0.00 0.04 0.00 0.00 61.00 62.82 2jop s PRO 89 Cb -0.12 -2.05 -0.13 0.00 0.04 0.00 0.00 34.50 32.24 2jop s PRO 89 CO 0.50 -0.62 1.28 1.47 0.04 0.00 0.00 177.00 179.67 2jop n LEU 90 N -1.15 0.67 -4.76 -3.56 -0.00 -1.25 -0.38 117.00 106.58 2jop n LEU 90 Ca 0.10 0.64 -0.38 0.00 -0.00 0.00 0.00 56.01 56.37 2jop n LEU 90 Cb 0.52 -0.61 0.02 0.00 -0.00 0.00 0.00 43.42 43.35 2jop n LEU 90 CO 0.41 -0.55 0.94 -0.55 -0.00 0.00 0.00 177.39 177.63 2jop s SER 91 N 3.09 5.56 -0.19 1.45 0.15 0.70 -4.47 113.70 120.00 2jop s SER 91 Ca 0.77 2.62 -0.08 0.00 0.70 0.00 0.00 55.95 59.96 2jop s SER 91 Cb -1.03 -2.63 -0.04 0.00 -1.71 0.00 0.00 66.02 60.61 2jop s SER 91 CO 0.51 -1.36 0.09 -0.76 1.20 0.00 0.00 173.24 172.92 2jop s LEU 92 N -3.36 3.99 0.00 3.45 1.43 -1.26 -2.25 118.68 120.67 2jop s LEU 92 Ca 0.69 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.94 2jop s LEU 92 Cb -0.37 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 43.84 2jop s LEU 92 CO 0.44 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.81 2jop n GLY 93 N 3.47 3.15 3.68 -3.19 0.00 -0.99 -4.44 105.19 106.87 2jop n GLY 93 Ca -0.16 -0.48 -0.47 0.00 0.00 0.00 0.00 46.02 44.91 2jop n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jop n PRO 94 N -0.83 2.22 0.00 1.61 -0.04 -1.26 -0.32 135.00 136.38 2jop n PRO 94 Ca 0.00 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 2jop n PRO 94 Cb 0.00 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 30.82 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 5.82 0.00 -1.62 0.54 7.35 -0.48 -4.66 117.46 124.41 2jop n PHE 95 Ca 0.21 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.90 2jop n PHE 95 Cb 0.30 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.13 2jop n PHE 95 CO 0.00 0.00 0.00 1.47 -0.76 0.00 0.00 176.76 177.47 2jop n LEU 96 N -1.71 0.00 -4.35 -2.13 -0.00 -1.26 -5.00 117.00 102.55 2jop n LEU 96 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 55.69 2jop n LEU 96 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.27 2jop n LEU 96 CO 0.00 -0.10 -0.53 -0.54 -0.00 0.00 0.00 177.39 176.22 2jop s LYS 97 N 1.28 2.37 0.32 1.47 -0.14 -1.26 -4.65 119.74 119.13 2jop s LYS 97 Ca 0.00 -0.85 0.00 0.00 -1.36 0.00 0.00 55.97 53.76 2jop s LYS 97 Cb 0.00 -2.19 0.00 0.00 -1.68 0.00 0.00 37.83 33.96 2jop s LYS 97 CO 0.00 0.52 0.00 0.25 -0.76 0.00 0.00 175.35 175.36 2jop n THR 98 N 2.56 -4.53 -2.51 2.17 -2.24 -1.26 -4.97 114.28 103.50 2jop n THR 98 Ca -0.17 1.97 0.00 0.00 -2.27 0.00 0.00 64.05 63.58 2jop n THR 98 Cb 0.52 -2.78 0.00 0.00 -2.10 0.00 0.00 70.33 65.96 2jop n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2jop n TYR 99 N -0.07 -2.24 -3.59 4.78 4.01 -1.26 -4.83 117.16 113.96 2jop n TYR 99 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.61 2jop n TYR 99 Cb 0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 38.91 2jop n TYR 99 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2jop s THR 100 N 1.07 -0.46 -1.71 -0.72 2.01 -1.26 -5.03 115.64 109.54 2jop s THR 100 Ca 0.00 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.15 2jop s THR 100 Cb 0.00 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 71.94 2jop s THR 100 CO 0.00 0.02 0.59 -0.81 -0.69 0.00 0.00 174.62 173.73 2jop n PRO 101 N 5.35 0.69 -0.02 4.92 -0.04 -1.26 -0.36 135.00 144.28 2jop n PRO 101 Ca -0.06 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.37 2jop n PRO 101 Cb 0.50 -1.10 -0.01 0.00 -0.04 0.00 0.00 33.50 32.85 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 -0.31 0.18 0.06 0.54 7.27 -1.26 -4.35 117.38 119.51 2jop n GLN 102 Ca 0.00 0.07 -0.09 0.00 0.07 0.00 0.00 57.00 57.05 2jop n GLN 102 Cb 0.05 -0.74 -0.13 0.00 2.41 0.00 0.00 30.24 31.83 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 -0.34 0.07 -2.95 1.69 0.02 -1.94 -3.45 113.55 106.64 2jop h SER 103 Ca 0.00 -0.08 -0.62 0.00 -0.84 0.00 0.00 61.79 60.25 2jop h SER 103 Cb 0.34 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.81 2jop h SER 103 CO 0.00 1.07 -0.41 -0.44 -1.14 0.00 0.00 176.83 175.91 2jop s SER 104 N -6.71 6.45 0.15 3.07 0.01 0.52 -4.27 113.70 112.92 2jop s SER 104 Ca -0.01 0.48 0.06 0.00 1.31 0.00 0.00 55.95 57.79 2jop s SER 104 Cb 0.09 -2.05 -0.04 0.00 0.21 0.00 0.00 66.02 64.23 2jop s SER 104 CO 0.83 0.19 -0.13 0.27 0.41 0.00 0.00 173.24 174.81 2jop s ILE 105 N -1.43 1.38 -0.26 1.44 -5.25 0.35 -4.30 121.20 113.14 2jop s ILE 105 Ca 0.32 -1.98 -0.03 0.00 -0.99 0.00 0.00 60.65 57.97 2jop s ILE 105 Cb -0.13 -1.79 0.01 0.00 2.95 0.00 0.00 42.46 43.51 2jop s ILE 105 CO 0.21 -0.59 -0.02 -0.63 -1.79 0.00 0.00 174.94 172.12 2jop s ILE 106 N -2.80 3.27 0.65 8.37 1.01 -0.40 -2.32 121.20 128.98 2jop s ILE 106 Ca 0.15 -0.83 -0.00 0.00 0.00 0.00 0.00 60.65 59.97 2jop s ILE 106 Cb -0.01 -2.64 0.08 0.00 0.01 0.00 0.00 42.46 39.90 2jop s ILE 106 CO 0.03 0.21 0.90 0.00 0.00 0.00 0.00 174.94 176.08 2jop s TYR 108 N -2.98 1.47 0.00 0.00 2.02 0.07 -0.05 117.35 117.87 2jop s TYR 108 Ca 0.62 -1.52 0.00 0.00 -0.37 0.00 0.00 57.07 55.80 2jop s TYR 108 Cb -0.08 -0.58 0.00 0.00 -0.40 0.00 0.00 41.96 40.90 2jop s TYR 108 CO 0.42 -0.83 0.00 0.41 -1.57 0.00 0.00 175.55 173.97 2jop n GLY 109 N -0.50 0.14 3.75 0.71 0.00 -1.21 -4.52 105.19 103.57 2jop n GLY 109 Ca 0.05 -1.89 -0.39 0.00 0.00 0.00 0.00 46.02 43.80 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 4.30 -0.31 1.61 2.00 -1.26 -3.97 119.66 122.03 2jop s GLN 110 Ca 0.00 0.65 -0.27 0.00 -2.00 0.00 0.00 55.36 53.74 2jop s GLN 110 Cb 0.00 -3.37 -0.06 0.00 0.80 0.00 0.00 33.01 30.39 2jop s GLN 110 CO 0.00 0.31 2.27 -1.17 -0.50 0.00 0.00 175.29 176.20 2jop s LEU 111 N 0.04 3.42 0.00 3.68 2.96 -1.26 -0.79 118.68 126.74 2jop s LEU 111 Ca 0.30 1.60 0.00 0.00 -0.22 0.00 0.00 54.13 55.81 2jop s LEU 111 Cb -0.17 -3.18 0.00 0.00 0.50 0.00 0.00 46.19 43.34 2jop s LEU 111 CO 0.15 -2.27 0.00 0.61 -1.32 0.00 0.00 176.35 173.52 2jop n GLY 112 N 5.84 1.39 3.42 7.98 0.00 -1.26 -5.04 105.19 117.53 2jop n GLY 112 Ca 0.32 -0.09 -0.45 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 -0.34 6.75 -1.45 1.61 0.01 0.03 -2.89 113.70 117.42 2jop s SER 113 Ca 0.00 -2.38 -0.08 0.00 1.31 0.00 0.00 55.95 54.80 2jop s SER 113 Cb 0.00 -2.36 0.03 0.00 0.21 0.00 0.00 66.02 63.91 2jop s SER 113 CO 0.00 -0.89 2.58 0.49 0.41 0.00 0.00 173.24 175.83 2jop n PHE 114 N 5.76 2.60 -2.12 2.43 3.01 0.69 -4.15 117.46 125.67 2jop n PHE 114 Ca 0.24 -2.94 0.02 0.00 1.01 0.00 0.00 57.45 55.78 2jop n PHE 114 Cb 0.47 -2.15 0.03 0.00 -0.01 0.00 0.00 39.48 37.82 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 2.84 0.61 -3.18 4.37 7.64 -1.26 -4.40 113.62 120.25 2jop n SER 115 Ca 0.67 -2.16 0.01 0.00 1.01 0.00 0.00 58.87 58.41 2jop n SER 115 Cb 0.25 -0.27 -0.01 0.00 -1.01 0.00 0.00 64.21 63.17 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 -1.61 -1.19 0.45 6.43 3.04 -1.26 -5.03 114.94 115.77 2jop s ASN 116 Ca 0.17 0.27 0.03 0.00 0.04 0.00 0.00 52.86 53.37 2jop s ASN 116 Cb 0.19 1.89 -0.04 0.00 -1.54 0.00 0.00 41.25 41.75 2jop s ASN 116 CO -0.07 -0.30 0.03 0.00 -3.04 0.00 0.00 177.10 173.73 2jop n SER 118 N -1.14 -2.05 -4.98 0.00 7.64 -0.14 -4.82 113.62 108.14 2jop n SER 118 Ca -0.12 -2.48 -0.20 0.00 1.01 0.00 0.00 58.87 57.08 2jop n SER 118 Cb 0.67 3.43 0.00 0.00 -1.01 0.00 0.00 64.21 67.29 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 -2.77 3.14 -1.08 1.43 3.76 -1.26 -1.28 115.29 117.24 2jop s HIS 119 Ca 0.16 -0.07 -0.20 0.00 -0.15 0.00 0.00 55.06 54.80 2jop s HIS 119 Cb -0.04 -2.12 -0.07 0.00 1.11 0.00 0.00 32.58 31.45 2jop s HIS 119 CO 0.12 -0.15 1.97 0.43 -0.85 0.00 0.00 174.74 176.26 2jop n SER 120 N -1.81 3.24 0.04 1.40 7.64 -1.26 -4.32 113.62 118.56 2jop n SER 120 Ca 0.01 -2.75 -0.00 0.00 1.01 0.00 0.00 58.87 57.13 2jop n SER 120 Cb 0.58 -1.44 -0.00 0.00 -1.01 0.00 0.00 64.21 62.33 2jop n SER 120 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jop n ARG 121 N 7.23 0.01 0.02 1.43 1.74 -1.26 -4.61 116.66 121.23 2jop n ARG 121 Ca 0.49 0.01 0.05 0.00 -0.77 0.00 0.00 57.85 57.62 2jop n ARG 121 Cb 0.42 -0.52 0.45 0.00 -1.02 0.00 0.00 32.46 31.79 2jop n ARG 121 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2jop h ASN 122 N -0.02 0.42 -5.04 0.55 -0.26 -2.01 -3.41 115.58 105.80 2jop h ASN 122 Ca -0.00 -0.01 -0.12 0.00 -0.56 0.00 0.00 56.30 55.61 2jop h ASN 122 Cb 0.08 -0.10 -0.19 0.00 -1.06 0.00 0.00 38.32 37.05 2jop h ASN 122 CO -0.00 0.30 -0.39 -1.81 -1.06 0.00 0.00 177.43 174.46 2jop s ASP 123 N -6.70 -0.01 -0.28 5.81 1.01 -1.26 -5.13 116.67 110.11 2jop s ASP 123 Ca -0.08 -0.25 -0.05 0.00 0.71 0.00 0.00 52.55 52.88 2jop s ASP 123 Cb 0.17 0.27 0.01 0.00 1.01 0.00 0.00 42.92 44.39 2jop s ASP 123 CO 0.73 -0.50 0.03 0.00 0.21 0.00 0.00 175.17 175.64 2jop s MET 124 N -2.08 3.04 0.12 8.23 0.23 -1.26 -4.47 119.30 123.11 2jop s MET 124 Ca -0.09 -0.87 -0.31 0.00 -1.03 0.00 0.00 55.69 53.39 2jop s MET 124 Cb -0.03 -3.23 -0.09 0.00 -1.53 0.00 0.00 34.83 29.95 2jop s MET 124 CO -0.01 -0.41 1.50 0.00 -2.03 0.00 0.00 175.02 174.07 2jop s HIS 126 N 1.48 1.89 -1.17 0.00 3.76 -1.26 -4.38 115.29 115.61 2jop s HIS 126 Ca 0.68 1.39 -0.10 0.00 -0.15 0.00 0.00 55.06 56.88 2jop s HIS 126 Cb -0.40 -3.19 -0.07 0.00 1.11 0.00 0.00 32.58 30.04 2jop s HIS 126 CO 0.31 -2.88 2.34 -1.13 -0.85 0.00 0.00 174.74 172.53 2jop n SER 127 N -4.24 5.54 -4.70 1.40 3.41 -1.26 -4.86 113.62 108.91 2jop n SER 127 Ca 0.07 -2.51 -0.42 0.00 -0.26 0.00 0.00 58.87 55.75 2jop n SER 127 Cb 0.54 -1.30 -0.03 0.00 -0.26 0.00 0.00 64.21 63.16 2jop n SER 127 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2jop s LEU 128 N 0.54 4.38 0.53 1.04 2.01 -1.26 -1.38 118.68 124.54 2jop s LEU 128 Ca 0.52 2.69 0.06 0.00 0.01 0.00 0.00 54.13 57.41 2jop s LEU 128 Cb 0.14 -3.58 0.03 0.00 0.01 0.00 0.00 46.19 42.79 2jop s LEU 128 CO -0.02 -0.94 0.42 -0.83 1.01 0.00 0.00 176.35 175.99 2jop s GLY 129 N 2.09 2.29 -0.14 -3.19 0.00 0.57 -3.84 107.32 105.11 2jop s GLY 129 Ca 0.76 -1.44 -0.07 0.00 0.00 0.00 0.00 44.72 43.97 2jop s GLY 129 CO 0.34 -1.89 0.32 1.08 0.00 0.00 0.00 173.10 172.95 2jop s LEU 130 N -4.28 0.15 -0.23 0.66 1.43 -1.22 -2.34 118.68 112.85 2jop s LEU 130 Ca 0.38 0.70 -0.04 0.00 -1.03 0.00 0.00 54.13 54.15 2jop s LEU 130 Cb -0.02 1.03 0.09 0.00 0.03 0.00 0.00 46.19 47.31 2jop s LEU 130 CO 0.23 -0.18 0.17 -0.89 0.23 0.00 0.00 176.35 175.92 2jop s THR 131 N 1.37 -0.21 -0.40 5.49 2.01 -0.96 -2.25 115.64 120.70 2jop s THR 131 Ca -0.09 -0.36 -0.39 0.00 0.31 0.00 0.00 61.69 61.16 2jop s THR 131 Cb -0.10 -0.78 -0.15 0.00 0.01 0.00 0.00 72.50 71.49 2jop s THR 131 CO -0.11 -0.41 2.11 0.00 -0.69 0.00 0.00 174.62 175.53 2jop n LEU 133 N 8.37 0.00 0.00 0.00 7.94 0.49 -4.61 117.00 129.19 2jop n LEU 133 Ca 0.44 0.00 0.15 0.00 -1.11 0.00 0.00 56.01 55.49 2jop n LEU 133 Cb 0.12 0.00 0.88 0.00 0.53 0.00 0.00 43.42 44.95 2jop n LEU 133 CO 0.81 0.00 1.05 -1.84 -1.11 0.00 0.00 177.39 176.30