#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 3.27 0.01 2.89 2.01 -1.26 -4.88 118.68 120.73 2jop s LEU 26 Ca 0.00 0.29 0.00 0.00 0.01 0.00 0.00 54.13 54.44 2jop s LEU 26 Cb 0.00 -2.53 -0.01 0.00 0.01 0.00 0.00 46.19 43.66 2jop s LEU 26 CO 0.00 -2.57 -0.02 -0.44 1.01 0.00 0.00 176.35 174.33 2jop s SER 27 N 8.85 0.21 0.00 2.29 0.01 -1.26 -0.41 113.70 123.40 2jop s SER 27 Ca 0.73 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.66 2jop s SER 27 Cb -0.12 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.17 2jop s SER 27 CO 0.18 -0.19 0.75 -2.67 0.41 0.00 0.00 173.24 171.72 2jop n TRP 28 N 2.10 0.00 -0.43 2.43 4.27 -1.10 -2.00 117.44 122.71 2jop n TRP 28 Ca -0.20 -0.27 0.00 0.00 -3.89 0.00 0.00 57.50 53.14 2jop n TRP 28 Cb 0.57 -0.18 0.00 0.00 -1.36 0.00 0.00 31.31 30.34 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 0.31 0.00 -3.28 -2.67 0.18 -1.26 -4.46 117.16 105.99 2jop n TYR 29 Ca 0.00 -0.10 -0.38 0.00 1.88 0.00 0.00 57.90 59.29 2jop n TYR 29 Cb 0.37 -0.01 -0.06 0.00 -0.38 0.00 0.00 39.34 39.27 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 -0.20 6.91 0.38 9.48 1.11 -0.85 -4.96 116.67 128.54 2jop s ASP 30 Ca 0.00 1.08 0.06 0.00 0.18 0.00 0.00 52.55 53.87 2jop s ASP 30 Cb 0.00 -2.33 0.78 0.00 1.07 0.00 0.00 42.92 42.44 2jop s ASP 30 CO 0.00 0.14 2.00 -0.65 1.18 0.00 0.00 175.17 177.84 2jop h PRO 31 N 5.54 0.67 -0.01 8.23 0.11 -1.96 -1.31 132.00 143.27 2jop h PRO 31 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2jop h PRO 31 Cb 1.20 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2jop h PRO 31 CO 0.69 0.44 -0.01 -0.25 -0.21 0.00 0.00 178.00 178.65 2jop n ASP 32 N -4.47 0.52 -4.79 -2.05 8.00 -1.26 -4.79 116.55 107.71 2jop n ASP 32 Ca 0.07 -1.08 -0.38 0.00 0.71 0.00 0.00 54.79 54.11 2jop n ASP 32 Cb 0.15 -0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.17 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 -2.08 3.71 -0.32 1.24 5.36 -0.50 -5.05 117.98 120.34 2jop s PHE 33 Ca 0.42 1.13 -0.14 0.00 -0.96 0.00 0.00 56.93 57.38 2jop s PHE 33 Cb 0.21 -2.49 -0.02 0.00 -0.34 0.00 0.00 43.02 40.38 2jop s PHE 33 CO 0.37 0.46 0.31 -0.65 -1.46 0.00 0.00 175.22 174.26 2jop s GLN 34 N -0.55 3.67 0.01 10.12 1.11 -1.26 -4.89 119.66 127.87 2jop s GLN 34 Ca 0.28 -0.39 0.01 0.00 0.01 0.00 0.00 55.36 55.27 2jop s GLN 34 Cb -0.18 -3.76 -0.01 0.00 -1.01 0.00 0.00 33.01 28.05 2jop s GLN 34 CO 0.16 -0.42 -0.03 0.00 0.01 0.00 0.00 175.29 175.01 2jop s ALA 35 N 1.92 0.22 -0.00 6.09 0.00 -1.26 -1.11 121.76 127.62 2jop s ALA 35 Ca 0.10 -0.31 -0.16 0.00 0.00 0.00 0.00 51.96 51.60 2jop s ALA 35 Cb -0.17 0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.02 2jop s ALA 35 CO 0.11 -0.01 0.71 2.89 0.00 0.00 0.00 175.76 179.46 2jop n ARG 36 N 2.47 0.13 -4.37 0.00 1.85 -0.78 -4.98 116.66 110.97 2jop n ARG 36 Ca -0.17 -0.47 -0.29 0.00 -1.00 0.00 0.00 57.85 55.92 2jop n ARG 36 Cb 0.58 0.76 -0.12 0.00 -1.05 0.00 0.00 32.46 32.62 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 2.45 0.00 2.89 1.02 -1.26 -0.11 118.68 123.66 2jop s LEU 37 Ca 0.17 -0.68 0.01 0.00 0.02 0.00 0.00 54.13 53.65 2jop s LEU 37 Cb -0.01 -1.33 -0.00 0.00 0.02 0.00 0.00 46.19 44.87 2jop s LEU 37 CO -0.00 0.18 0.03 0.35 0.02 0.00 0.00 176.35 176.93 2jop n THR 38 N 0.90 0.00 0.00 5.49 -2.24 0.81 -4.81 114.28 114.43 2jop n THR 38 Ca -0.17 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 2jop n THR 38 Cb 0.53 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 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 -0.09 0.00 -2.58 -0.78 5.12 -1.26 -1.82 116.66 115.25 2jop n ARG 39 Ca 0.00 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.52 2jop n ARG 39 Cb 0.08 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.33 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 0.00 7.40 0.00 0.55 0.01 -1.26 -4.93 113.70 115.47 2jop s SER 40 Ca 0.00 2.12 0.20 0.00 1.31 0.00 0.00 55.95 59.59 2jop s SER 40 Cb 0.00 -2.62 1.21 0.00 0.21 0.00 0.00 66.02 64.82 2jop s SER 40 CO 0.00 -0.05 1.76 -3.20 0.41 0.00 0.00 173.24 172.16 2jop n ASN 41 N 1.50 0.00 -4.71 2.44 4.05 -1.26 -4.72 115.26 112.56 2jop n ASN 41 Ca -0.01 -1.31 -0.40 0.00 0.45 0.00 0.00 54.58 53.31 2jop n ASN 41 Cb 0.46 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.43 2jop n ASN 41 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 2jop s SER 42 N -1.66 7.05 0.00 1.20 0.15 -1.24 -4.93 113.70 114.28 2jop s SER 42 Ca 0.30 1.27 0.11 0.00 0.70 0.00 0.00 55.95 58.34 2jop s SER 42 Cb 0.14 -2.45 0.60 0.00 -1.71 0.00 0.00 66.02 62.59 2jop s SER 42 CO 0.23 -0.19 1.39 0.29 1.20 0.00 0.00 173.24 176.16 2jop n LYS 43 N 4.06 1.11 -1.39 5.44 5.02 -1.26 -2.54 118.16 128.59 2jop n LYS 43 Ca 0.01 -0.16 0.02 0.00 -2.02 0.00 0.00 58.31 56.16 2jop n LYS 43 Cb 0.51 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 2jop n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jop s GLN 45 N 0.00 0.60 0.00 0.00 0.74 -1.05 0.05 119.66 120.00 2jop s GLN 45 Ca 0.28 1.22 0.00 0.00 0.05 0.00 0.00 55.36 56.90 2jop s GLN 45 Cb 0.32 0.34 0.00 0.00 1.10 0.00 0.00 33.01 34.76 2jop s GLN 45 CO -0.14 -0.17 0.00 0.41 -0.55 0.00 0.00 175.29 174.84 2jop n GLY 46 N 4.71 -0.07 3.75 2.59 0.00 0.57 -3.66 105.19 113.08 2jop n GLY 46 Ca -0.17 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.59 4.48 0.10 1.61 -0.21 -0.75 -2.24 119.66 121.05 2jop s GLN 47 Ca 0.00 1.98 -0.31 0.00 0.02 0.00 0.00 55.36 57.06 2jop s GLN 47 Cb 0.00 -3.17 -0.07 0.00 1.00 0.00 0.00 33.01 30.77 2jop s GLN 47 CO 0.00 -0.06 1.26 -1.17 -2.12 0.00 0.00 175.29 173.20 2jop s LEU 48 N -0.98 4.38 -0.13 2.90 2.96 -1.26 -0.13 118.68 126.42 2jop s LEU 48 Ca 0.50 2.15 0.01 0.00 -0.22 0.00 0.00 54.13 56.57 2jop s LEU 48 Cb -0.35 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 42.77 2jop s LEU 48 CO 0.43 -0.51 -0.14 -0.70 -1.32 0.00 0.00 176.35 174.11 2jop s GLU 49 N 0.84 2.19 -0.00 1.98 2.12 0.84 -0.27 118.70 126.39 2jop s GLU 49 Ca 0.59 -0.53 0.03 0.00 0.36 0.00 0.00 54.97 55.43 2jop s GLU 49 Cb -0.32 -1.97 -0.01 0.00 0.26 0.00 0.00 34.13 32.09 2jop s GLU 49 CO 0.31 -0.17 -0.11 0.14 -0.54 0.00 0.00 175.26 174.89 2jop s VAL 50 N 1.32 0.85 -0.37 3.70 -7.23 -0.07 -1.86 120.40 116.74 2jop s VAL 50 Ca 0.01 -0.50 -0.20 0.00 -1.81 0.00 0.00 61.98 59.47 2jop s VAL 50 Cb -0.14 -0.72 0.01 0.00 0.56 0.00 0.00 36.38 36.09 2jop s VAL 50 CO -0.07 0.21 0.63 -0.47 -0.31 0.00 0.00 175.10 175.09 2jop s TYR 51 N -0.31 3.14 -0.04 2.82 5.04 -0.26 -0.05 117.35 127.69 2jop s TYR 51 Ca 0.04 0.28 -0.26 0.00 -2.44 0.00 0.00 57.07 54.69 2jop s TYR 51 Cb -0.04 -3.17 0.05 0.00 0.35 0.00 0.00 41.96 39.15 2jop s TYR 51 CO -0.00 -0.66 0.56 -0.48 -1.34 0.00 0.00 175.55 173.62 2jop s LEU 52 N 2.72 -0.16 -1.33 6.97 0.05 0.00 -4.49 118.68 122.45 2jop s LEU 52 Ca 0.24 0.52 -0.07 0.00 0.05 0.00 0.00 54.13 54.87 2jop s LEU 52 Cb -0.14 2.11 0.04 0.00 -2.05 0.00 0.00 46.19 46.16 2jop s LEU 52 CO 0.15 -0.55 0.45 1.17 -0.55 0.00 0.00 176.35 177.02 2jop n LYS 53 N 1.06 -3.61 -1.24 1.48 3.00 -1.26 -0.41 118.16 117.17 2jop n LYS 53 Ca -0.20 0.61 -0.08 0.00 -0.00 0.00 0.00 58.31 58.63 2jop n LYS 53 Cb 0.57 -5.34 -0.04 0.00 0.00 0.00 0.00 35.03 30.22 2jop n LYS 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2jop n ASP 54 N -2.28 -5.55 -4.46 3.14 5.68 -1.26 -4.95 116.55 106.87 2jop n ASP 54 Ca -0.06 0.21 -0.36 0.00 -0.50 0.00 0.00 54.79 54.08 2jop n ASP 54 Cb 0.57 -3.79 -0.12 0.00 -1.14 0.00 0.00 41.12 36.64 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 -2.35 1.76 -1.21 6.12 0.00 0.45 -5.00 107.32 107.08 2jop s GLY 55 Ca 0.00 -1.06 -0.21 0.00 0.00 0.00 0.00 44.72 43.45 2jop s GLY 55 CO 0.00 0.40 1.89 0.79 0.00 0.00 0.00 173.10 176.18 2jop n TRP 56 N 4.59 3.21 -2.68 1.90 7.02 -1.26 -0.82 117.44 129.41 2jop n TRP 56 Ca -0.17 -1.82 -0.43 0.00 -1.02 0.00 0.00 57.50 54.06 2jop n TRP 56 Cb 0.52 -2.62 -0.02 0.00 -2.42 0.00 0.00 31.31 26.77 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 9.22 3.16 -0.22 -5.99 3.76 0.93 -4.73 115.29 121.42 2jop s HIS 57 Ca 0.64 1.15 -0.29 0.00 -0.15 0.00 0.00 55.06 56.41 2jop s HIS 57 Cb 0.01 -3.63 0.01 0.00 1.11 0.00 0.00 32.58 30.07 2jop s HIS 57 CO 0.12 -0.74 1.09 1.41 -0.85 0.00 0.00 174.74 175.76 2jop s MET 58 N 3.56 4.24 0.47 1.40 1.75 -1.22 -0.89 119.30 128.61 2jop s MET 58 Ca 0.44 1.39 0.08 0.00 -1.25 0.00 0.00 55.69 56.36 2jop s MET 58 Cb -0.12 -3.67 0.03 0.00 2.84 0.00 0.00 34.83 33.91 2jop s MET 58 CO 0.15 -0.67 0.62 0.14 -0.65 0.00 0.00 175.02 174.61 2jop s VAL 59 N 3.30 2.66 -0.34 10.11 -7.23 0.62 -1.57 120.40 127.94 2jop s VAL 59 Ca 0.46 -1.05 0.09 0.00 -1.81 0.00 0.00 61.98 59.67 2jop s VAL 59 Cb -0.16 -2.70 0.71 0.00 0.56 0.00 0.00 36.38 34.78 2jop s VAL 59 CO 0.08 0.00 1.80 0.00 -0.31 0.00 0.00 175.10 176.67 2jop n SER 61 N -0.45 0.00 0.00 0.00 7.64 -1.26 -4.27 113.62 115.28 2jop n SER 61 Ca 0.44 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.43 2jop n SER 61 Cb 1.41 0.00 0.63 0.00 -1.01 0.00 0.00 64.21 65.24 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 0.57 -0.71 1.43 -0.00 -1.26 -4.81 117.38 112.59 2jop n GLN 62 Ca 0.00 0.03 -0.32 0.00 -0.00 0.00 0.00 57.00 56.71 2jop n GLN 62 Cb 0.00 -1.50 0.15 0.00 -0.00 0.00 0.00 30.24 28.89 2jop n GLN 62 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2jop n SER 63 N -1.10 -0.89 0.00 2.61 7.64 -1.26 -0.22 113.62 120.41 2jop n SER 63 Ca 0.15 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.36 2jop n SER 63 Cb 0.11 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 61.97 2jop n SER 63 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2jop n TRP 64 N -4.02 0.00 -0.09 1.43 8.01 0.13 -4.16 117.44 118.73 2jop n TRP 64 Ca 0.09 0.00 -0.05 0.00 -1.31 0.00 0.00 57.50 56.23 2jop n TRP 64 Cb 0.53 0.00 0.15 0.00 -2.01 0.00 0.00 31.31 29.98 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 0.80 -1.13 6.99 0.00 -1.83 -3.34 103.07 104.56 2jop h GLY 65 Ca 0.00 -0.58 -0.26 0.00 0.00 0.00 0.00 47.33 46.49 2jop h GLY 65 CO 0.00 0.53 -0.28 0.54 0.00 0.00 0.00 176.54 177.33 2jop n ARG 66 N -4.18 -0.96 -4.45 4.80 1.74 0.69 -5.00 116.66 109.30 2jop n ARG 66 Ca 0.02 0.82 -0.22 0.00 -0.77 0.00 0.00 57.85 57.70 2jop n ARG 66 Cb 0.34 -4.94 -0.16 0.00 -1.02 0.00 0.00 32.46 26.67 2jop n ARG 66 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2jop s SER 67 N -2.68 1.43 -0.96 0.55 1.04 -1.25 -5.07 113.70 106.77 2jop s SER 67 Ca 0.00 -0.23 -0.20 0.00 0.48 0.00 0.00 55.95 56.00 2jop s SER 67 Cb 0.00 -0.56 0.11 0.00 0.10 0.00 0.00 66.02 65.67 2jop s SER 67 CO 0.00 0.03 1.22 -0.44 0.98 0.00 0.00 173.24 175.03 2jop s SER 68 N 0.52 6.60 0.02 7.02 0.01 -1.26 -4.79 113.70 121.81 2jop s SER 68 Ca -0.10 -1.88 -0.03 0.00 1.31 0.00 0.00 55.95 55.25 2jop s SER 68 Cb -0.13 -2.45 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 2jop s SER 68 CO 0.02 -1.19 0.22 -0.54 0.41 0.00 0.00 173.24 172.16 2jop s LYS 69 N 3.33 3.48 0.00 12.44 1.02 -1.26 -4.96 119.74 133.78 2jop s LYS 69 Ca 0.37 -0.28 0.13 0.00 0.02 0.00 0.00 55.97 56.20 2jop s LYS 69 Cb -0.03 -3.07 0.22 0.00 -0.52 0.00 0.00 37.83 34.43 2jop s LYS 69 CO -0.10 0.64 1.04 0.00 -0.92 0.00 0.00 175.35 176.02 2jop n GLN 70 N 0.79 0.00 -1.39 1.68 10.64 -1.25 -3.70 117.38 124.15 2jop n GLN 70 Ca -0.09 -1.42 0.00 0.00 -1.83 0.00 0.00 57.00 53.66 2jop n GLN 70 Cb 0.52 -0.01 0.00 0.00 -0.86 0.00 0.00 30.24 29.90 2jop n GLN 70 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14 2jop n TRP 71 N 0.25 -1.38 -1.82 2.61 7.02 -1.26 -4.99 117.44 117.87 2jop n TRP 71 Ca -0.03 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.04 2jop n TRP 71 Cb 0.91 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.78 2jop n TRP 71 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 2jop n GLU 72 N -0.46 2.46 0.00 -0.99 4.07 -1.26 -4.34 120.64 120.13 2jop n GLU 72 Ca 0.00 -2.56 0.00 0.00 -0.06 0.00 0.00 57.16 54.54 2jop n GLU 72 Cb 0.00 -3.30 0.00 0.00 -0.06 0.00 0.00 31.44 28.08 2jop n GLU 72 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2jop n ASP 73 N 7.90 0.00 0.00 4.31 2.03 -1.26 -5.13 116.55 124.40 2jop n ASP 73 Ca 0.50 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.81 2jop n ASP 73 Cb 0.42 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 2jop n ASP 73 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2jop n PRO 74 N 0.00 0.00 -3.50 -0.67 -0.04 -1.26 -4.87 135.00 124.65 2jop n PRO 74 Ca 0.00 0.09 -0.11 0.00 -0.04 0.00 0.00 63.50 63.44 2jop n PRO 74 Cb 0.00 -0.85 -0.03 0.00 -0.04 0.00 0.00 33.50 32.58 2jop n PRO 74 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2jop s SER 75 N -1.69 -0.44 -0.18 3.54 0.01 -1.26 -4.61 113.70 109.08 2jop s SER 75 Ca 0.00 0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.44 2jop s SER 75 Cb 0.00 0.43 0.26 0.00 0.21 0.00 0.00 66.02 66.91 2jop s SER 75 CO 0.00 -0.63 1.37 0.00 0.41 0.00 0.00 173.24 174.39 2jop n GLN 76 N 0.07 1.49 -1.36 12.44 1.13 -1.26 -4.32 117.38 125.56 2jop n GLN 76 Ca -0.12 -1.16 -0.25 0.00 -1.94 0.00 0.00 57.00 53.53 2jop n GLN 76 Cb 0.61 -1.46 0.11 0.00 0.11 0.00 0.00 30.24 29.61 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 -0.12 5.56 -0.20 -1.58 0.00 -1.26 -4.69 120.51 118.22 2jop n ALA 77 Ca 0.23 -3.39 -0.02 0.00 0.00 0.00 0.00 53.44 50.26 2jop n ALA 77 Cb 0.95 -1.21 0.08 0.00 0.00 0.00 0.00 19.45 19.27 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 1.67 0.43 -0.36 0.00 0.02 -1.86 -0.58 113.55 112.88 2jop h SER 78 Ca 0.49 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.52 2jop h SER 78 Cb 1.49 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.97 2jop h SER 78 CO 1.11 0.28 0.24 0.50 -1.14 0.00 0.00 176.83 177.82 2jop h LYS 79 N 0.57 0.30 0.69 3.45 1.63 -1.85 -0.40 116.57 120.96 2jop h LYS 79 Ca 0.27 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 60.02 2jop h LYS 79 Cb 0.20 -0.07 0.01 0.00 -0.60 0.00 0.00 32.23 31.77 2jop h LYS 79 CO -0.19 0.20 -0.33 0.28 -3.45 0.00 0.00 179.45 175.96 2jop h VAL 80 N 0.31 0.11 0.00 2.00 2.07 -1.33 -1.70 116.25 117.72 2jop h VAL 80 Ca 0.15 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 2jop h VAL 80 Cb 0.22 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 2jop h VAL 80 CO -0.03 0.01 -0.03 0.00 0.02 0.00 0.00 177.57 177.54 2jop h GLN 82 N 0.00 1.18 0.00 0.00 4.15 -1.03 0.14 115.11 119.55 2jop h GLN 82 Ca -0.00 -0.22 -0.03 0.00 0.77 0.00 0.00 58.65 59.17 2jop h GLN 82 Cb 0.64 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 28.13 2jop h GLN 82 CO 0.00 0.96 -0.13 0.00 -1.93 0.00 0.00 178.83 177.73 2jop h ARG 83 N 1.15 0.00 -0.46 1.69 3.08 -0.19 -2.49 114.38 117.15 2jop h ARG 83 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 2jop h ARG 83 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2jop h ARG 83 CO -0.02 0.13 0.00 1.28 -1.07 0.00 0.00 179.97 180.29 2jop n LEU 84 N -3.27 2.52 -3.96 3.04 4.77 -0.52 -4.92 117.00 114.67 2jop n LEU 84 Ca 0.00 -1.25 -0.32 0.00 -0.03 0.00 0.00 56.01 54.42 2jop n LEU 84 Cb 0.39 -0.31 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 2jop n LEU 84 CO 0.31 0.63 -0.07 -0.46 -1.33 0.00 0.00 177.39 176.47 2jop n ASN 85 N 0.88 -2.69 -0.24 -1.43 0.23 -0.50 -4.82 115.26 106.70 2jop n ASN 85 Ca 0.16 -0.79 0.08 0.00 -0.53 0.00 0.00 54.58 53.50 2jop n ASN 85 Cb 0.40 -2.26 0.14 0.00 -2.08 0.00 0.00 39.78 35.98 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 -1.21 0.86 3.83 0.00 0.00 -1.23 -4.32 105.19 103.12 2jop n GLY 87 Ca 0.15 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 2jop n GLY 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jop s ASP 88 N -4.00 4.01 0.45 1.61 1.11 -1.26 -3.31 116.67 115.27 2jop s ASP 88 Ca 0.00 0.94 -0.23 0.00 0.18 0.00 0.00 52.55 53.43 2jop s ASP 88 Cb 0.00 -1.51 -0.08 0.00 1.07 0.00 0.00 42.92 42.41 2jop s ASP 88 CO 0.00 -2.24 1.18 -2.16 1.18 0.00 0.00 175.17 173.13 2jop s PRO 89 N -5.37 3.80 -0.31 8.23 0.04 -1.26 -0.64 135.00 139.49 2jop s PRO 89 Ca 0.63 1.82 -0.28 0.00 0.04 0.00 0.00 61.00 63.21 2jop s PRO 89 Cb -0.13 -2.47 -0.12 0.00 0.04 0.00 0.00 34.50 31.82 2jop s PRO 89 CO 0.52 -0.53 1.13 1.47 0.04 0.00 0.00 177.00 179.63 2jop n LEU 90 N -0.37 0.61 -4.82 -3.56 -0.00 -1.24 -0.53 117.00 107.08 2jop n LEU 90 Ca 0.07 0.58 -0.30 0.00 -0.00 0.00 0.00 56.01 56.36 2jop n LEU 90 Cb 0.47 -0.54 0.07 0.00 -0.00 0.00 0.00 43.42 43.42 2jop n LEU 90 CO 0.49 -0.49 0.72 -0.55 -0.00 0.00 0.00 177.39 177.55 2jop s SER 91 N 2.70 4.87 -0.11 1.45 0.15 0.78 -4.11 113.70 119.43 2jop s SER 91 Ca 0.69 1.35 -0.02 0.00 0.70 0.00 0.00 55.95 58.66 2jop s SER 91 Cb -0.92 -2.13 -0.03 0.00 -1.71 0.00 0.00 66.02 61.23 2jop s SER 91 CO 0.46 -1.74 -0.02 -0.76 1.20 0.00 0.00 173.24 172.38 2jop s LEU 92 N -5.65 3.38 -0.04 3.45 1.43 -1.26 -1.79 118.68 118.20 2jop s LEU 92 Ca 0.60 0.00 -0.29 0.00 -1.03 0.00 0.00 54.13 53.40 2jop s LEU 92 Cb -0.14 -1.79 0.11 0.00 0.03 0.00 0.00 46.19 44.40 2jop s LEU 92 CO 0.54 0.28 0.91 -0.83 0.23 0.00 0.00 176.35 177.48 2jop s GLY 93 N -0.32 -0.42 -0.62 -3.19 0.00 -0.92 -3.89 107.32 97.96 2jop s GLY 93 Ca 0.06 1.25 -0.27 0.00 0.00 0.00 0.00 44.72 45.76 2jop s GLY 93 CO 0.02 0.51 1.80 2.56 0.00 0.00 0.00 173.10 177.99 2jop s PRO 94 N -2.61 2.71 0.00 2.90 0.04 -1.26 -0.11 135.00 136.66 2jop s PRO 94 Ca 0.03 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.61 2jop s PRO 94 Cb -0.01 -4.36 0.00 0.00 0.04 0.00 0.00 34.50 30.17 2jop s PRO 94 CO -0.06 -2.65 0.00 0.34 0.04 0.00 0.00 177.00 174.68 2jop n PHE 95 N 12.32 0.00 -2.92 0.56 7.35 0.10 -4.88 117.46 129.99 2jop n PHE 95 Ca 0.19 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.48 2jop n PHE 95 Cb 0.52 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.29 2jop n PHE 95 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 2jop s LEU 96 N 0.00 4.50 -0.19 -2.13 1.98 -1.26 -4.74 118.68 116.83 2jop s LEU 96 Ca 0.00 1.58 -0.17 0.00 -2.89 0.00 0.00 54.13 52.65 2jop s LEU 96 Cb 0.00 -3.33 -0.04 0.00 0.66 0.00 0.00 46.19 43.48 2jop s LEU 96 CO 0.00 0.04 0.47 -0.75 -1.89 0.00 0.00 176.35 174.22 2jop s LYS 97 N -0.31 4.20 0.00 1.98 2.20 -1.26 -4.89 119.74 121.65 2jop s LYS 97 Ca 0.40 0.33 0.00 0.00 -0.36 0.00 0.00 55.97 56.34 2jop s LYS 97 Cb -0.22 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 2jop s LYS 97 CO 0.25 -0.08 0.71 2.41 -0.36 0.00 0.00 175.35 178.28 2jop n THR 98 N 4.39 0.00 -3.40 3.43 -1.04 -1.26 -5.11 114.28 111.29 2jop n THR 98 Ca -0.06 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.73 2jop n THR 98 Cb 0.51 0.55 -0.00 0.00 -1.82 0.00 0.00 70.33 69.56 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 0.00 3.28 0.26 -1.42 -0.85 -1.26 -5.06 117.35 112.30 2jop s TYR 99 Ca 0.00 0.06 0.04 0.00 -0.52 0.00 0.00 57.07 56.65 2jop s TYR 99 Cb 0.00 -2.00 -0.06 0.00 0.38 0.00 0.00 41.96 40.29 2jop s TYR 99 CO 0.00 -0.01 0.00 0.95 -1.52 0.00 0.00 175.55 174.97 2jop s THR 100 N -2.28 1.20 -1.66 -3.49 -4.23 -1.26 -4.94 115.64 98.98 2jop s THR 100 Ca 0.43 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 2jop s THR 100 Cb -0.10 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.26 2jop s THR 100 CO 0.34 -0.23 0.59 -0.81 -0.54 0.00 0.00 174.62 173.96 2jop n PRO 101 N -0.52 0.71 0.00 3.99 -0.04 -1.26 -0.80 135.00 137.07 2jop n PRO 101 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 2jop n PRO 101 Cb 0.64 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.98 2jop n PRO 101 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jop n GLN 102 N -0.28 0.00 0.11 0.54 -0.00 -1.26 -4.19 117.38 112.30 2jop n GLN 102 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.00 56.99 2jop n GLN 102 Cb 0.06 -0.48 -0.03 0.00 -0.00 0.00 0.00 30.24 29.79 2jop n GLN 102 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.06 177.83 2jop h SER 103 N 0.00 0.00 -2.88 2.61 0.02 -1.91 -3.44 113.55 107.94 2jop h SER 103 Ca 0.00 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.30 2jop h SER 103 Cb 0.00 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 2jop h SER 103 CO 0.00 0.69 -0.52 -0.55 -1.14 0.00 0.00 176.83 175.31 2jop s SER 104 N -6.55 6.15 0.08 3.07 0.15 0.02 -3.45 113.70 113.16 2jop s SER 104 Ca 0.03 0.30 0.05 0.00 0.70 0.00 0.00 55.95 57.03 2jop s SER 104 Cb 0.08 -1.89 -0.03 0.00 -1.71 0.00 0.00 66.02 62.47 2jop s SER 104 CO 0.77 0.28 -0.14 0.27 1.20 0.00 0.00 173.24 175.63 2jop s ILE 105 N -1.24 1.14 -0.52 6.45 -5.25 -0.61 -2.87 121.20 118.31 2jop s ILE 105 Ca 0.24 -1.43 -0.09 0.00 -0.99 0.00 0.00 60.65 58.39 2jop s ILE 105 Cb -0.12 -1.20 0.13 0.00 2.95 0.00 0.00 42.46 44.22 2jop s ILE 105 CO 0.15 -0.30 0.39 -0.63 -1.79 0.00 0.00 174.94 172.76 2jop s ILE 106 N -1.57 4.24 0.71 8.37 1.01 0.70 -2.80 121.20 131.86 2jop s ILE 106 Ca 0.01 -1.98 -0.08 0.00 0.00 0.00 0.00 60.65 58.60 2jop s ILE 106 Cb -0.08 -3.78 0.05 0.00 0.01 0.00 0.00 42.46 38.67 2jop s ILE 106 CO 0.02 -0.81 1.04 0.00 0.00 0.00 0.00 174.94 175.20 2jop n TYR 108 N -2.97 -0.25 0.00 0.00 4.01 -1.19 0.17 117.16 116.92 2jop n TYR 108 Ca 0.07 -0.81 0.00 0.00 -0.16 0.00 0.00 57.90 57.00 2jop n TYR 108 Cb 0.60 0.09 0.00 0.00 -0.31 0.00 0.00 39.34 39.72 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 -0.18 0.77 3.76 2.72 0.00 -1.25 -4.55 105.19 106.45 2jop n GLY 109 Ca 0.02 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.21 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 3.92 -0.64 1.61 0.74 -1.26 -4.69 119.66 119.34 2jop s GLN 110 Ca 0.00 -0.21 -0.26 0.00 0.05 0.00 0.00 55.36 54.94 2jop s GLN 110 Cb 0.00 -3.32 -0.05 0.00 1.10 0.00 0.00 33.01 30.74 2jop s GLN 110 CO 0.00 0.44 2.10 -1.17 -0.55 0.00 0.00 175.29 176.12 2jop s LEU 111 N -0.07 3.26 0.00 3.68 2.96 -1.26 -1.39 118.68 125.86 2jop s LEU 111 Ca 0.10 0.37 0.00 0.00 -0.22 0.00 0.00 54.13 54.37 2jop s LEU 111 Cb -0.11 -2.53 0.00 0.00 0.50 0.00 0.00 46.19 44.05 2jop s LEU 111 CO 0.00 -2.76 0.00 0.61 -1.32 0.00 0.00 176.35 172.88 2jop n GLY 112 N 6.10 4.00 3.40 7.98 0.00 -1.26 -4.85 105.19 120.56 2jop n GLY 112 Ca 0.31 -0.63 -0.44 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.01 6.20 -1.27 1.61 0.01 -0.49 -2.70 113.70 117.04 2jop s SER 113 Ca 0.00 -1.24 -0.05 0.00 1.31 0.00 0.00 55.95 55.97 2jop s SER 113 Cb 0.00 -2.30 0.16 0.00 0.21 0.00 0.00 66.02 64.08 2jop s SER 113 CO 0.00 -1.06 2.26 0.49 0.41 0.00 0.00 173.24 175.34 2jop n PHE 114 N 6.34 2.64 -0.11 2.43 3.01 0.45 -4.47 117.46 127.75 2jop n PHE 114 Ca -0.08 -2.78 -0.14 0.00 1.01 0.00 0.00 57.45 55.46 2jop n PHE 114 Cb 0.44 -1.74 -0.13 0.00 -0.01 0.00 0.00 39.48 38.04 2jop n PHE 114 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2jop n SER 115 N 1.58 1.33 -4.05 4.37 2.88 -1.26 -4.65 113.62 113.82 2jop n SER 115 Ca 0.58 -0.08 -0.20 0.00 -1.33 0.00 0.00 58.87 57.85 2jop n SER 115 Cb 0.26 0.17 -0.15 0.00 -0.75 0.00 0.00 64.21 63.74 2jop n SER 115 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2jop s ASN 116 N -5.98 1.25 0.18 -3.46 -0.87 -1.26 -5.10 114.94 99.70 2jop s ASN 116 Ca -0.24 -0.21 0.03 0.00 -1.57 0.00 0.00 52.86 50.88 2jop s ASN 116 Cb 0.07 -0.13 -0.01 0.00 -0.02 0.00 0.00 41.25 41.16 2jop s ASN 116 CO 0.66 0.12 0.13 0.00 -2.57 0.00 0.00 177.10 175.43 2jop s SER 118 N -2.19 0.07 0.29 0.00 0.01 -0.62 -4.82 113.70 106.43 2jop s SER 118 Ca 0.18 -1.01 -0.10 0.00 1.31 0.00 0.00 55.95 56.33 2jop s SER 118 Cb 0.01 0.73 -0.07 0.00 0.21 0.00 0.00 66.02 66.89 2jop s SER 118 CO 0.13 -1.41 0.62 -1.00 0.41 0.00 0.00 173.24 171.99 2jop s HIS 119 N -3.26 3.43 -1.14 2.43 3.76 -1.26 -0.22 115.29 119.03 2jop s HIS 119 Ca 0.18 0.93 -0.21 0.00 -0.15 0.00 0.00 55.06 55.81 2jop s HIS 119 Cb -0.04 -2.32 -0.06 0.00 1.11 0.00 0.00 32.58 31.28 2jop s HIS 119 CO 0.11 0.16 1.91 0.43 -0.85 0.00 0.00 174.74 176.50 2jop n SER 120 N -0.50 3.40 -0.99 1.40 7.64 -1.14 -4.11 113.62 119.33 2jop n SER 120 Ca 0.01 -2.75 0.08 0.00 1.01 0.00 0.00 58.87 57.22 2jop n SER 120 Cb 0.53 -1.60 0.25 0.00 -1.01 0.00 0.00 64.21 62.38 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 7.88 3.16 -3.80 1.43 5.12 -1.26 -4.28 116.66 124.91 2jop n ARG 121 Ca 0.47 -2.61 -0.09 0.00 -1.93 0.00 0.00 57.85 53.69 2jop n ARG 121 Cb 0.45 -1.69 -0.06 0.00 -1.16 0.00 0.00 32.46 29.99 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 -1.39 0.02 -0.02 0.55 3.84 -1.26 -5.05 114.94 111.63 2jop s ASN 122 Ca 0.38 -0.57 0.08 0.00 0.21 0.00 0.00 52.86 52.96 2jop s ASN 122 Cb 0.27 0.38 0.25 0.00 -0.55 0.00 0.00 41.25 41.61 2jop s ASN 122 CO 0.14 -0.77 1.15 -0.90 -2.79 0.00 0.00 177.10 173.93 2jop n ASP 123 N -0.12 1.70 -0.29 -4.21 5.75 -1.26 -4.19 116.55 113.94 2jop n ASP 123 Ca -0.15 -2.07 0.09 0.00 -0.01 0.00 0.00 54.79 52.65 2jop n ASP 123 Cb 0.63 -0.26 0.24 0.00 -1.03 0.00 0.00 41.12 40.70 2jop n ASP 123 CO 0.00 0.00 0.00 0.24 -0.11 0.00 0.00 177.20 177.33 2jop h MET 124 N 1.55 0.43 -4.30 0.11 2.86 -2.00 -3.14 114.93 110.44 2jop h MET 124 Ca 0.00 -0.03 -0.74 0.00 -2.06 0.00 0.00 59.70 56.87 2jop h MET 124 Cb 0.50 -0.10 -0.23 0.00 0.06 0.00 0.00 31.60 31.83 2jop h MET 124 CO 0.04 0.29 -0.15 0.00 1.06 0.00 0.00 176.91 178.14 2jop n HIS 126 N 5.53 -3.33 -1.86 0.00 -0.00 -1.19 -4.82 115.22 109.54 2jop n HIS 126 Ca -0.12 -0.17 -0.33 0.00 -0.00 0.00 0.00 57.72 57.10 2jop n HIS 126 Cb 0.41 -0.18 -0.06 0.00 -0.00 0.00 0.00 29.99 30.17 2jop n HIS 126 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 2jop n SER 127 N -3.27 3.06 -4.72 0.41 3.41 -1.26 -4.89 113.62 106.36 2jop n SER 127 Ca 0.03 -2.71 -0.40 0.00 -0.26 0.00 0.00 58.87 55.52 2jop n SER 127 Cb 0.10 -1.58 -0.04 0.00 -0.26 0.00 0.00 64.21 62.42 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 8.00 4.34 0.09 1.04 2.01 -1.26 0.01 118.68 132.90 2jop s LEU 128 Ca 0.64 1.29 0.08 0.00 0.01 0.00 0.00 54.13 56.16 2jop s LEU 128 Cb 0.04 -3.18 -0.03 0.00 0.01 0.00 0.00 46.19 43.03 2jop s LEU 128 CO 0.13 -0.13 -0.22 -0.83 1.01 0.00 0.00 176.35 176.31 2jop s GLY 129 N 0.77 1.27 0.04 -3.19 0.00 0.84 -4.51 107.32 102.54 2jop s GLY 129 Ca 0.40 -1.23 0.04 0.00 0.00 0.00 0.00 44.72 43.93 2jop s GLY 129 CO 0.20 -1.21 -0.04 1.08 0.00 0.00 0.00 173.10 173.14 2jop s LEU 130 N -1.72 3.32 -0.24 0.66 1.43 -0.95 -2.16 118.68 119.02 2jop s LEU 130 Ca 0.08 -0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 52.98 2jop s LEU 130 Cb -0.10 -1.98 0.13 0.00 0.03 0.00 0.00 46.19 44.27 2jop s LEU 130 CO 0.04 0.23 0.41 0.28 0.23 0.00 0.00 176.35 177.54 2jop s THR 131 N -1.15 -0.66 -0.46 5.49 -1.32 -0.74 -0.32 115.64 116.49 2jop s THR 131 Ca 0.21 -0.01 -0.35 0.00 -1.21 0.00 0.00 61.69 60.33 2jop s THR 131 Cb -0.11 -0.80 -0.13 0.00 -1.51 0.00 0.00 72.50 69.94 2jop s THR 131 CO 0.12 -0.06 2.27 0.00 -2.21 0.00 0.00 174.62 174.74 2jop n LEU 133 N 10.30 0.00 0.00 0.00 7.94 0.31 -4.62 117.00 130.93 2jop n LEU 133 Ca 0.45 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.35 2jop n LEU 133 Cb 0.21 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.16 2jop n LEU 133 CO 0.79 0.00 0.08 -1.84 -1.11 0.00 0.00 177.39 175.31