#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 2.80 -0.05 6.15 1.43 -1.26 -4.67 118.68 123.08 2jop s LEU 26 Ca 0.00 -0.21 -0.09 0.00 -1.03 0.00 0.00 54.13 52.80 2jop s LEU 26 Cb 0.00 -2.56 0.02 0.00 0.03 0.00 0.00 46.19 43.68 2jop s LEU 26 CO 0.00 -3.95 0.22 -0.94 0.23 0.00 0.00 176.35 171.91 2jop s SER 27 N 10.20 -0.15 0.00 2.29 1.04 -1.26 -0.01 113.70 125.81 2jop s SER 27 Ca 0.89 0.18 0.21 0.00 0.48 0.00 0.00 55.95 57.71 2jop s SER 27 Cb -0.11 0.36 1.08 0.00 0.10 0.00 0.00 66.02 67.46 2jop s SER 27 CO 0.09 -0.24 1.67 -2.67 0.98 0.00 0.00 173.24 173.07 2jop n TRP 28 N 2.16 0.00 1.02 5.02 4.27 -1.21 -1.45 117.44 127.25 2jop n TRP 28 Ca -0.18 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.54 2jop n TRP 28 Cb 0.57 -0.26 0.00 0.00 -1.36 0.00 0.00 31.31 30.27 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 -1.26 0.00 -1.92 -2.67 0.18 -1.26 -4.75 117.16 105.49 2jop n TYR 29 Ca 0.11 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.47 2jop n TYR 29 Cb 0.16 -0.04 -0.03 0.00 -0.38 0.00 0.00 39.34 39.04 2jop n TYR 29 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2jop s ASP 30 N -2.81 6.58 0.53 9.48 -1.08 -0.53 -4.89 116.67 123.96 2jop s ASP 30 Ca 0.13 2.58 0.23 0.00 -0.52 0.00 0.00 52.55 54.97 2jop s ASP 30 Cb 0.17 -2.58 1.39 0.00 -1.46 0.00 0.00 42.92 40.44 2jop s ASP 30 CO 0.74 -0.86 2.04 -0.65 0.52 0.00 0.00 175.17 176.96 2jop h PRO 31 N 7.44 0.00 -0.09 4.34 0.11 -1.91 -2.03 132.00 139.86 2jop h PRO 31 Ca -0.43 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.60 2jop h PRO 31 Cb 1.20 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.23 2jop h PRO 31 CO 0.92 0.00 -0.58 -0.40 -0.21 0.00 0.00 178.00 177.73 2jop n ASP 32 N -4.35 2.02 -4.84 -2.05 5.68 -1.26 -5.02 116.55 106.73 2jop n ASP 32 Ca 0.06 -3.72 -0.36 0.00 -0.50 0.00 0.00 54.79 50.27 2jop n ASP 32 Cb 0.45 -0.49 -0.06 0.00 -1.14 0.00 0.00 41.12 39.88 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 -3.04 3.62 -0.28 2.11 5.36 -0.77 -5.05 117.98 119.94 2jop s PHE 33 Ca 0.39 1.09 -0.20 0.00 -0.96 0.00 0.00 56.93 57.25 2jop s PHE 33 Cb 0.38 -2.39 -0.02 0.00 -0.34 0.00 0.00 43.02 40.65 2jop s PHE 33 CO -0.06 0.44 0.61 -0.65 -1.46 0.00 0.00 175.22 174.09 2jop s GLN 34 N -1.89 4.01 -0.24 10.12 1.11 -1.26 -4.98 119.66 126.53 2jop s GLN 34 Ca 0.37 0.39 -0.24 0.00 0.01 0.00 0.00 55.36 55.90 2jop s GLN 34 Cb -0.15 -3.68 0.07 0.00 -1.01 0.00 0.00 33.01 28.23 2jop s GLN 34 CO 0.19 -0.47 0.67 0.00 0.01 0.00 0.00 175.29 175.69 2jop s ALA 35 N 2.51 -1.66 -0.01 6.09 0.00 -1.26 -1.20 121.76 126.23 2jop s ALA 35 Ca 0.25 1.86 -0.21 0.00 0.00 0.00 0.00 51.96 53.86 2jop s ALA 35 Cb -0.15 -1.05 0.07 0.00 0.00 0.00 0.00 23.12 21.99 2jop s ALA 35 CO 0.10 -0.32 0.95 2.89 0.00 0.00 0.00 175.76 179.38 2jop n ARG 36 N 2.63 0.16 -3.82 0.00 1.85 -0.64 -4.83 116.66 112.01 2jop n ARG 36 Ca -0.14 -0.61 -0.37 0.00 -1.00 0.00 0.00 57.85 55.73 2jop n ARG 36 Cb 0.55 1.00 -0.06 0.00 -1.05 0.00 0.00 32.46 32.90 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 4.40 0.00 2.89 1.43 -1.26 -0.35 118.68 125.79 2jop s LEU 37 Ca 0.22 0.54 0.04 0.00 -1.03 0.00 0.00 54.13 53.90 2jop s LEU 37 Cb -0.01 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 2jop s LEU 37 CO -0.00 0.38 0.22 0.35 0.23 0.00 0.00 176.35 177.53 2jop n THR 38 N 1.82 0.00 -1.25 5.49 -2.24 -0.71 -4.63 114.28 112.76 2jop n THR 38 Ca -0.18 -1.59 -0.09 0.00 -2.27 0.00 0.00 64.05 59.92 2jop n THR 38 Cb 0.54 0.82 -0.04 0.00 -2.10 0.00 0.00 70.33 69.56 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 -0.43 -1.40 0.00 -0.78 3.00 -1.26 -3.30 116.66 112.50 2jop n ARG 39 Ca 0.04 0.76 0.00 0.00 -0.01 0.00 0.00 57.85 58.64 2jop n ARG 39 Cb 0.41 -4.98 0.00 0.00 0.00 0.00 0.00 32.46 27.90 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 -0.78 0.00 0.00 0.55 3.41 -1.26 -4.95 113.62 110.59 2jop n SER 40 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 2jop n SER 40 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 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 -0.52 0.00 -4.46 4.04 0.23 -1.26 -5.13 115.26 108.16 2jop n ASN 41 Ca 0.00 0.00 -0.34 0.00 -0.53 0.00 0.00 54.58 53.71 2jop n ASN 41 Cb 0.00 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 37.58 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 0.00 4.74 0.00 0.53 0.15 -1.24 -4.95 113.70 112.93 2jop s SER 42 Ca 0.00 -0.18 0.27 0.00 0.70 0.00 0.00 55.95 56.73 2jop s SER 42 Cb 0.00 -1.79 1.38 0.00 -1.71 0.00 0.00 66.02 63.90 2jop s SER 42 CO 0.00 0.12 1.91 2.29 1.20 0.00 0.00 173.24 178.76 2jop n LYS 43 N 3.89 0.45 -0.06 5.44 2.85 -1.26 -2.46 118.16 127.01 2jop n LYS 43 Ca -0.17 0.03 0.05 0.00 -1.05 0.00 0.00 58.31 57.17 2jop n LYS 43 Cb 0.52 -1.50 0.08 0.00 -0.65 0.00 0.00 35.03 33.48 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 -0.94 0.57 0.00 0.00 0.74 -1.03 -0.28 119.66 118.71 2jop s GLN 45 Ca 0.16 1.31 0.00 0.00 0.05 0.00 0.00 55.36 56.88 2jop s GLN 45 Cb 0.10 0.57 0.00 0.00 1.10 0.00 0.00 33.01 34.78 2jop s GLN 45 CO 0.14 -0.19 0.00 0.41 -0.55 0.00 0.00 175.29 175.10 2jop n GLY 46 N 5.10 -2.60 3.86 2.59 0.00 -0.83 -3.70 105.19 109.62 2jop n GLY 46 Ca -0.14 -1.28 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.98 3.83 0.02 1.61 -1.52 -1.21 -3.12 119.66 117.29 2jop s GLN 47 Ca 0.00 0.62 -0.30 0.00 -1.95 0.00 0.00 55.36 53.73 2jop s GLN 47 Cb 0.00 -2.31 -0.04 0.00 -0.22 0.00 0.00 33.01 30.44 2jop s GLN 47 CO 0.00 -0.11 1.09 -1.17 -0.25 0.00 0.00 175.29 174.84 2jop s LEU 48 N -3.92 4.36 -0.09 2.90 1.98 -1.24 -1.74 118.68 120.93 2jop s LEU 48 Ca 0.54 1.81 0.00 0.00 -2.89 0.00 0.00 54.13 53.59 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 0.31 -0.37 -0.08 -0.70 -1.89 0.00 0.00 176.35 173.62 2jop s GLU 49 N 1.14 1.43 -0.04 1.98 2.12 0.52 -0.41 118.70 125.44 2jop s GLU 49 Ca 0.55 -0.26 0.05 0.00 0.36 0.00 0.00 54.97 55.67 2jop s GLU 49 Cb -0.25 -1.40 -0.01 0.00 0.26 0.00 0.00 34.13 32.73 2jop s GLU 49 CO 0.28 -0.16 -0.21 0.14 -0.54 0.00 0.00 175.26 174.77 2jop s VAL 50 N 1.32 1.69 -0.41 3.70 -7.23 -0.78 -1.62 120.40 117.07 2jop s VAL 50 Ca -0.03 -0.88 -0.13 0.00 -1.81 0.00 0.00 61.98 59.14 2jop s VAL 50 Cb -0.14 -1.43 0.04 0.00 0.56 0.00 0.00 36.38 35.42 2jop s VAL 50 CO -0.03 0.48 0.28 -0.47 -0.31 0.00 0.00 175.10 175.04 2jop s TYR 51 N -0.17 3.26 -0.15 2.82 5.04 -0.34 -0.10 117.35 127.70 2jop s TYR 51 Ca -0.00 -0.94 -0.00 0.00 -2.44 0.00 0.00 57.07 53.68 2jop s TYR 51 Cb -0.11 -2.71 0.04 0.00 0.35 0.00 0.00 41.96 39.52 2jop s TYR 51 CO 0.02 -0.70 -0.06 -0.48 -1.34 0.00 0.00 175.55 172.99 2jop s LEU 52 N 1.59 1.51 0.00 6.97 0.05 -0.90 -4.22 118.68 123.68 2jop s LEU 52 Ca 0.03 -0.58 0.00 0.00 0.05 0.00 0.00 54.13 53.64 2jop s LEU 52 Cb -0.21 -0.90 0.00 0.00 -2.05 0.00 0.00 46.19 43.03 2jop s LEU 52 CO 0.07 -0.17 0.00 0.29 -0.55 0.00 0.00 176.35 175.99 2jop n LYS 53 N 4.89 0.00 0.00 1.48 4.76 -1.26 -1.59 118.16 126.44 2jop n LYS 53 Ca -0.12 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 2jop n LYS 53 Cb 0.48 -0.35 0.00 0.00 -1.84 0.00 0.00 35.03 33.32 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 0.95 0.00 -4.57 4.39 5.75 -1.26 -5.10 116.55 116.71 2jop n ASP 54 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.36 2jop n ASP 54 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 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 1.04 -1.16 6.12 0.00 -0.62 -4.91 107.32 107.79 2jop s GLY 55 Ca 0.00 -0.93 -0.22 0.00 0.00 0.00 0.00 44.72 43.57 2jop s GLY 55 CO 0.00 2.58 1.87 -0.98 0.00 0.00 0.00 173.10 176.57 2jop s TRP 56 N 5.29 2.12 -0.67 1.90 0.23 -1.26 -2.12 118.94 124.44 2jop s TRP 56 Ca 0.42 0.02 -0.26 0.00 -2.03 0.00 0.00 56.10 54.26 2jop s TRP 56 Cb -0.08 -4.19 0.04 0.00 0.03 0.00 0.00 33.47 29.27 2jop s TRP 56 CO 0.23 -1.44 1.16 -1.01 0.96 0.00 0.00 176.95 176.85 2jop s HIS 57 N 9.28 2.49 -0.60 -1.98 3.76 0.85 -4.83 115.29 124.27 2jop s HIS 57 Ca 0.65 -0.06 -0.26 0.00 -0.15 0.00 0.00 55.06 55.23 2jop s HIS 57 Cb -0.01 -4.47 -0.03 0.00 1.11 0.00 0.00 32.58 29.18 2jop s HIS 57 CO 0.09 -1.81 1.96 1.41 -0.85 0.00 0.00 174.74 175.54 2jop s MET 58 N 5.02 2.53 0.06 1.40 1.75 -1.25 -1.86 119.30 126.96 2jop s MET 58 Ca 0.33 0.73 0.07 0.00 -1.25 0.00 0.00 55.69 55.57 2jop s MET 58 Cb -0.10 -4.43 -0.04 0.00 2.84 0.00 0.00 34.83 33.10 2jop s MET 58 CO 0.16 -2.84 -0.14 0.54 -0.65 0.00 0.00 175.02 172.09 2jop s VAL 59 N 9.65 3.08 0.12 10.11 0.11 0.45 -0.70 120.40 143.22 2jop s VAL 59 Ca 0.72 -1.19 -0.30 0.00 -2.93 0.00 0.00 61.98 58.28 2jop s VAL 59 Cb -0.13 -2.36 -0.07 0.00 -1.53 0.00 0.00 36.38 32.29 2jop s VAL 59 CO 0.21 0.25 1.15 0.00 -3.33 0.00 0.00 175.10 173.38 2jop n SER 61 N 3.08 0.00 -0.94 0.00 7.64 -1.23 -1.32 113.62 120.86 2jop n SER 61 Ca 0.06 0.45 0.12 0.00 1.01 0.00 0.00 58.87 60.51 2jop n SER 61 Cb 0.46 -0.45 0.13 0.00 -1.01 0.00 0.00 64.21 63.34 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 -1.45 2.30 -0.67 1.43 -0.00 -1.26 -4.95 117.38 112.77 2jop n GLN 62 Ca 0.00 -1.88 -0.29 0.00 -0.00 0.00 0.00 57.00 54.83 2jop n GLN 62 Cb 0.00 -1.46 0.25 0.00 -0.00 0.00 0.00 30.24 29.03 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 -1.98 0.83 0.00 2.61 0.01 -0.43 -0.09 113.70 114.64 2jop s SER 63 Ca 0.29 1.25 0.00 0.00 1.31 0.00 0.00 55.95 58.80 2jop s SER 63 Cb 0.20 -1.92 0.00 0.00 0.21 0.00 0.00 66.02 64.51 2jop s SER 63 CO 0.30 -4.25 0.00 0.79 0.41 0.00 0.00 173.24 170.49 2jop n TRP 64 N -4.93 0.00 0.12 2.43 8.01 0.11 -3.77 117.44 119.42 2jop n TRP 64 Ca 0.05 0.00 0.03 0.00 -1.31 0.00 0.00 57.50 56.28 2jop n TRP 64 Cb 0.56 0.00 0.01 0.00 -2.01 0.00 0.00 31.31 29.87 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 -4.88 6.99 0.00 -1.73 -3.27 103.07 100.18 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 -0.31 0.54 0.00 0.00 0.00 176.54 176.77 2jop n ARG 66 N -3.09 -1.73 -2.94 4.80 1.74 0.87 -5.03 116.66 111.28 2jop n ARG 66 Ca -0.01 1.70 -0.25 0.00 -0.77 0.00 0.00 57.85 58.52 2jop n ARG 66 Cb 0.73 -4.94 0.00 0.00 -1.02 0.00 0.00 32.46 27.23 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 -2.44 6.11 0.00 0.55 0.15 -0.78 -5.03 113.70 112.27 2jop s SER 67 Ca 0.15 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.41 2jop s SER 67 Cb -0.04 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 2jop s SER 67 CO 0.62 -0.56 0.00 -1.20 1.20 0.00 0.00 173.24 173.31 2jop n SER 68 N -2.10 3.94 -0.06 5.45 7.64 -1.26 -4.91 113.62 122.33 2jop n SER 68 Ca -0.01 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.80 2jop n SER 68 Cb 0.56 0.16 -0.02 0.00 -1.01 0.00 0.00 64.21 63.90 2jop n SER 68 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2jop n LYS 69 N -2.21 0.40 -3.36 1.43 4.81 -1.26 -5.02 118.16 112.94 2jop n LYS 69 Ca 0.00 0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 2jop n LYS 69 Cb 0.45 -1.19 0.00 0.00 0.02 0.00 0.00 35.03 34.31 2jop n LYS 69 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jop n GLN 70 N -4.20 -1.72 -4.53 1.64 10.64 -1.26 -4.35 117.38 113.60 2jop n GLN 70 Ca -0.12 0.00 -0.23 0.00 -1.83 0.00 0.00 57.00 54.83 2jop n GLN 70 Cb 0.40 0.00 -0.14 0.00 -0.86 0.00 0.00 30.24 29.64 2jop n GLN 70 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 2jop s TRP 71 N -2.82 1.46 -2.00 2.61 0.52 -1.26 -4.99 118.94 112.46 2jop s TRP 71 Ca 0.00 -0.34 0.18 0.00 0.02 0.00 0.00 56.10 55.96 2jop s TRP 71 Cb 0.00 -0.88 0.52 0.00 -1.15 0.00 0.00 33.47 31.96 2jop s TRP 71 CO 0.00 0.04 1.44 -1.91 0.02 0.00 0.00 176.95 176.54 2jop n GLU 72 N 2.05 2.37 -3.74 4.98 2.13 -1.26 -4.40 120.64 122.77 2jop n GLU 72 Ca -0.17 -2.14 -0.34 0.00 0.66 0.00 0.00 57.16 55.18 2jop n GLU 72 Cb 0.54 -1.46 -0.09 0.00 0.27 0.00 0.00 31.44 30.70 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 -1.00 5.38 -0.10 4.31 2.15 -1.26 -4.92 116.67 121.23 2jop s ASP 73 Ca 0.40 -3.46 0.06 0.00 0.43 0.00 0.00 52.55 49.98 2jop s ASP 73 Cb 0.21 -1.81 0.35 0.00 -0.30 0.00 0.00 42.92 41.37 2jop s ASP 73 CO 0.27 -0.22 1.04 -0.81 -0.17 0.00 0.00 175.17 175.29 2jop n PRO 74 N 2.63 2.67 0.00 4.34 -0.04 -1.26 -4.83 135.00 138.52 2jop n PRO 74 Ca 0.16 -1.36 0.00 0.00 -0.04 0.00 0.00 63.50 62.26 2jop n PRO 74 Cb 0.36 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 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 0.27 0.00 0.00 3.54 2.88 -1.26 -4.33 113.62 114.72 2jop n SER 75 Ca 0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2jop n SER 75 Cb 0.65 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 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 -0.38 -1.46 1.13 -1.26 -4.41 117.38 110.99 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 0.00 0.11 0.00 0.11 0.00 0.00 30.24 30.46 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 3.29 -0.30 -1.58 0.00 -1.26 -4.24 120.51 116.42 2jop n ALA 77 Ca 0.00 -0.86 0.14 0.00 0.00 0.00 0.00 53.44 52.72 2jop n ALA 77 Cb 0.00 -1.10 0.39 0.00 0.00 0.00 0.00 19.45 18.74 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 1.01 0.65 -0.84 0.00 0.02 -1.90 -0.08 113.55 112.40 2jop h SER 78 Ca 0.10 0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.14 2jop h SER 78 Cb 1.32 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.75 2jop h SER 78 CO 0.28 0.29 0.56 0.50 -1.14 0.00 0.00 176.83 177.31 2jop h LYS 79 N 0.67 1.04 -0.02 3.45 3.11 -1.89 0.20 116.57 123.13 2jop h LYS 79 Ca 0.50 -0.06 -0.05 0.00 -2.81 0.00 0.00 60.65 58.23 2jop h LYS 79 Cb 0.87 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 31.87 2jop h LYS 79 CO -0.25 0.69 -0.18 -0.39 -2.81 0.00 0.00 179.45 176.50 2jop h VAL 80 N 1.07 1.52 0.00 2.00 -1.51 -1.30 -2.78 116.25 115.24 2jop h VAL 80 Ca 0.33 -1.79 -0.08 0.00 -1.23 0.00 0.00 66.70 63.93 2jop h VAL 80 Cb 0.00 2.63 -0.01 0.00 -2.13 0.00 0.00 31.29 31.78 2jop h VAL 80 CO -0.09 0.49 -0.37 0.00 -1.23 0.00 0.00 177.57 176.37 2jop h GLN 82 N 0.00 0.58 0.00 0.00 4.15 -0.89 0.21 115.11 119.17 2jop h GLN 82 Ca -0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 2jop h GLN 82 Cb 0.98 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.54 2jop h GLN 82 CO 0.05 0.39 0.00 0.00 -1.93 0.00 0.00 178.83 177.34 2jop h ARG 83 N 0.60 0.00 -0.42 1.69 3.08 -1.17 -1.24 114.38 116.92 2jop h ARG 83 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2jop h ARG 83 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2jop h ARG 83 CO -0.03 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.15 2jop n LEU 84 N -2.79 2.61 -2.75 3.04 4.77 -0.60 -4.93 117.00 116.35 2jop n LEU 84 Ca 0.02 -1.24 -0.13 0.00 -0.03 0.00 0.00 56.01 54.63 2jop n LEU 84 Cb 0.33 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 2jop n LEU 84 CO 0.26 0.62 -0.09 -0.46 -1.33 0.00 0.00 177.39 176.40 2jop n ASN 85 N 0.92 -3.01 -1.29 -1.43 6.94 -0.28 -4.81 115.26 112.30 2jop n ASN 85 Ca 0.17 0.09 0.12 0.00 -0.02 0.00 0.00 54.58 54.94 2jop n ASN 85 Cb 0.43 -2.58 0.29 0.00 -2.36 0.00 0.00 39.78 35.56 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 1.62 0.69 3.85 0.00 0.00 -1.23 -4.43 105.19 105.69 2jop n GLY 87 Ca 0.23 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 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 3.69 0.48 1.61 1.01 -1.26 -3.12 116.67 115.08 2jop s ASP 88 Ca 0.00 0.73 -0.21 0.00 0.71 0.00 0.00 52.55 53.78 2jop s ASP 88 Cb 0.00 -1.14 -0.08 0.00 1.01 0.00 0.00 42.92 42.70 2jop s ASP 88 CO 0.00 -2.42 1.04 -2.16 0.21 0.00 0.00 175.17 171.85 2jop s PRO 89 N -5.53 3.82 -0.29 8.23 0.04 -1.26 -0.94 135.00 139.06 2jop s PRO 89 Ca 0.65 1.39 -0.27 0.00 0.04 0.00 0.00 61.00 62.82 2jop s PRO 89 Cb -0.11 -2.14 -0.11 0.00 0.04 0.00 0.00 34.50 32.18 2jop s PRO 89 CO 0.52 -0.42 1.08 1.47 0.04 0.00 0.00 177.00 179.69 2jop n LEU 90 N -0.88 0.58 -4.76 -3.56 -0.00 -1.25 -0.21 117.00 106.93 2jop n LEU 90 Ca 0.09 0.56 -0.37 0.00 -0.00 0.00 0.00 56.01 56.29 2jop n LEU 90 Cb 0.52 -0.52 0.03 0.00 -0.00 0.00 0.00 43.42 43.45 2jop n LEU 90 CO 0.40 -0.47 0.86 -0.55 -0.00 0.00 0.00 177.39 177.63 2jop s SER 91 N 2.57 5.40 -0.17 1.45 0.15 0.75 -4.46 113.70 119.39 2jop s SER 91 Ca 0.66 2.44 -0.07 0.00 0.70 0.00 0.00 55.95 59.67 2jop s SER 91 Cb -0.88 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 60.79 2jop s SER 91 CO 0.44 -1.45 0.06 -0.76 1.20 0.00 0.00 173.24 172.72 2jop s LEU 92 N -3.77 3.81 0.00 3.45 1.43 -1.26 -2.11 118.68 120.23 2jop s LEU 92 Ca 0.74 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.93 2jop s LEU 92 Cb -0.32 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 43.95 2jop s LEU 92 CO 0.36 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.74 2jop n GLY 93 N 3.38 2.95 3.69 -3.19 0.00 -1.02 -4.38 105.19 106.63 2jop n GLY 93 Ca -0.17 -0.52 -0.44 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.78 2.33 0.00 1.61 -0.04 -1.26 -0.22 135.00 136.63 2jop n PRO 94 Ca 0.00 0.83 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 2jop n PRO 94 Cb 0.00 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 30.87 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 2.83 0.00 -0.51 0.54 7.35 -0.23 -4.69 117.46 122.75 2jop n PHE 95 Ca 0.14 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.83 2jop n PHE 95 Cb 0.32 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.15 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 -0.69 0.00 -4.22 -2.13 -0.00 -1.26 -5.03 117.00 103.67 2jop n LEU 96 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.68 2jop n LEU 96 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.26 2jop n LEU 96 CO 0.00 0.00 -0.50 -0.54 -0.00 0.00 0.00 177.39 176.35 2jop s LYS 97 N 0.96 3.13 0.60 1.47 -0.14 -1.26 -4.64 119.74 119.87 2jop s LYS 97 Ca 0.00 -0.79 0.00 0.00 -1.36 0.00 0.00 55.97 53.82 2jop s LYS 97 Cb 0.00 -2.58 0.00 0.00 -1.68 0.00 0.00 37.83 33.57 2jop s LYS 97 CO 0.00 -0.03 0.00 0.25 -0.76 0.00 0.00 175.35 174.81 2jop n THR 98 N 4.17 0.00 -3.93 2.17 -2.24 -1.26 -4.95 114.28 108.24 2jop n THR 98 Ca -0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2jop n THR 98 Cb 0.51 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 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 -3.84 0.00 -3.86 4.78 4.02 -1.26 -4.64 117.16 112.35 2jop n TYR 99 Ca 0.01 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.62 2jop n TYR 99 Cb 0.55 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.70 2jop n TYR 99 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2jop s THR 100 N -1.81 1.03 -1.53 -0.72 2.01 -1.26 -5.02 115.64 108.33 2jop s THR 100 Ca 0.00 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.34 2jop s THR 100 Cb 0.00 -1.27 0.00 0.00 0.01 0.00 0.00 72.50 71.24 2jop s THR 100 CO 0.00 0.05 0.33 -2.65 -0.69 0.00 0.00 174.62 171.66 2jop n PRO 101 N 4.89 0.43 -0.02 4.92 -0.02 -1.26 -0.06 135.00 143.88 2jop n PRO 101 Ca -0.11 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.34 2jop n PRO 101 Cb 0.47 -1.10 -0.01 0.00 -0.02 0.00 0.00 33.50 32.84 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 -0.13 0.19 0.01 -0.52 7.27 -1.26 -4.33 117.38 118.62 2jop n GLN 102 Ca 0.00 0.08 -0.09 0.00 0.07 0.00 0.00 57.00 57.06 2jop n GLN 102 Cb 0.05 -0.76 -0.13 0.00 2.41 0.00 0.00 30.24 31.81 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 -0.36 0.03 -3.35 1.69 0.02 -1.92 -3.45 113.55 106.21 2jop h SER 103 Ca 0.00 -0.04 -0.57 0.00 -0.84 0.00 0.00 61.79 60.34 2jop h SER 103 Cb 0.36 -0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.82 2jop h SER 103 CO 0.00 1.04 -0.03 -0.44 -1.14 0.00 0.00 176.83 176.25 2jop s SER 104 N -6.38 6.80 0.28 3.07 0.01 0.92 -3.82 113.70 114.57 2jop s SER 104 Ca -0.03 0.95 0.08 0.00 1.31 0.00 0.00 55.95 58.26 2jop s SER 104 Cb 0.09 -2.34 -0.06 0.00 0.21 0.00 0.00 66.02 63.92 2jop s SER 104 CO 0.82 -0.07 -0.09 0.27 0.41 0.00 0.00 173.24 174.58 2jop s ILE 105 N 0.81 1.87 -0.23 1.44 -5.25 0.12 -4.04 121.20 115.92 2jop s ILE 105 Ca 0.30 -2.18 -0.02 0.00 -0.99 0.00 0.00 60.65 57.76 2jop s ILE 105 Cb -0.16 -2.42 0.02 0.00 2.95 0.00 0.00 42.46 42.85 2jop s ILE 105 CO 0.13 -0.33 -0.08 -0.63 -1.79 0.00 0.00 174.94 172.24 2jop s ILE 106 N -2.87 2.83 0.56 8.37 1.01 -0.14 -2.48 121.20 128.48 2jop s ILE 106 Ca 0.29 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 2jop s ILE 106 Cb 0.02 -2.37 0.03 0.00 0.01 0.00 0.00 42.46 40.15 2jop s ILE 106 CO 0.12 0.30 0.81 0.00 0.00 0.00 0.00 174.94 176.18 2jop s TYR 108 N -2.83 1.70 0.00 0.00 2.02 -1.14 0.10 117.35 117.20 2jop s TYR 108 Ca 0.55 -1.57 0.00 0.00 -0.37 0.00 0.00 57.07 55.68 2jop s TYR 108 Cb -0.10 -0.78 0.00 0.00 -0.40 0.00 0.00 41.96 40.68 2jop s TYR 108 CO 0.40 -0.75 0.00 0.41 -1.57 0.00 0.00 175.55 174.05 2jop n GLY 109 N -0.64 -1.23 3.67 0.71 0.00 -1.23 -4.60 105.19 101.87 2jop n GLY 109 Ca 0.05 -2.06 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 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 4.33 -0.32 1.61 2.00 -1.26 -4.19 119.66 121.84 2jop s GLN 110 Ca 0.00 1.38 -0.34 0.00 -2.00 0.00 0.00 55.36 54.39 2jop s GLN 110 Cb 0.00 -3.60 -0.10 0.00 0.80 0.00 0.00 33.01 30.11 2jop s GLN 110 CO 0.00 -0.49 2.18 -0.11 -0.50 0.00 0.00 175.29 176.37 2jop n LEU 111 N 5.72 2.35 0.00 3.68 7.94 -1.26 -1.01 117.00 134.41 2jop n LEU 111 Ca 0.11 0.41 0.00 0.00 -1.11 0.00 0.00 56.01 55.41 2jop n LEU 111 Cb 0.47 -1.31 0.00 0.00 0.53 0.00 0.00 43.42 43.11 2jop n LEU 111 CO 0.52 -0.70 0.00 0.61 -1.11 0.00 0.00 177.39 176.71 2jop n GLY 112 N 6.32 4.11 3.44 -3.96 0.00 -1.26 -5.06 105.19 108.79 2jop n GLY 112 Ca 0.39 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 6.27 -0.26 1.61 0.01 -0.18 -3.33 113.70 117.82 2jop s SER 113 Ca 0.00 -1.28 -0.01 0.00 1.31 0.00 0.00 55.95 55.97 2jop s SER 113 Cb 0.00 -2.40 0.17 0.00 0.21 0.00 0.00 66.02 64.00 2jop s SER 113 CO 0.00 -1.32 2.04 0.49 0.41 0.00 0.00 173.24 174.87 2jop n PHE 114 N 7.26 1.24 1.10 2.43 3.01 0.98 -4.24 117.46 129.25 2jop n PHE 114 Ca 0.01 -1.78 0.12 0.00 1.01 0.00 0.00 57.45 56.81 2jop n PHE 114 Cb 0.46 -0.88 0.16 0.00 -0.01 0.00 0.00 39.48 39.21 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 0.59 1.36 -3.70 4.37 2.88 -1.25 -4.82 113.62 113.06 2jop n SER 115 Ca 0.25 -1.08 -0.12 0.00 -1.33 0.00 0.00 58.87 56.59 2jop n SER 115 Cb 0.56 0.38 -0.12 0.00 -0.75 0.00 0.00 64.21 64.28 2jop n SER 115 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2jop s ASN 116 N -2.60 -0.15 0.31 -3.46 3.84 -1.26 -5.14 114.94 106.49 2jop s ASN 116 Ca 0.19 0.66 0.05 0.00 0.21 0.00 0.00 52.86 53.97 2jop s ASN 116 Cb 0.18 0.64 -0.03 0.00 -0.55 0.00 0.00 41.25 41.49 2jop s ASN 116 CO 0.60 -0.20 0.21 0.00 -2.79 0.00 0.00 177.10 174.92 2jop n SER 118 N -1.20 -1.99 -4.88 0.00 7.64 -0.18 -4.87 113.62 108.15 2jop n SER 118 Ca 0.04 -2.64 -0.30 0.00 1.01 0.00 0.00 58.87 56.97 2jop n SER 118 Cb 0.64 3.39 0.02 0.00 -1.01 0.00 0.00 64.21 67.25 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 -2.53 3.52 -1.12 1.43 3.76 -1.26 -0.96 115.29 118.14 2jop s HIS 119 Ca 0.19 1.17 -0.22 0.00 -0.15 0.00 0.00 55.06 56.05 2jop s HIS 119 Cb -0.04 -2.80 -0.04 0.00 1.11 0.00 0.00 32.58 30.82 2jop s HIS 119 CO 0.14 -0.81 1.86 0.45 -0.85 0.00 0.00 174.74 175.52 2jop s SER 120 N -4.23 5.51 0.00 1.40 0.15 -1.26 -4.21 113.70 111.07 2jop s SER 120 Ca 0.55 -1.52 -0.00 0.00 0.70 0.00 0.00 55.95 55.68 2jop s SER 120 Cb -0.11 -2.58 -0.00 0.00 -1.71 0.00 0.00 66.02 61.62 2jop s SER 120 CO 0.52 -2.51 -0.00 0.54 1.20 0.00 0.00 173.24 172.99 2jop n ARG 121 N 8.51 0.00 0.00 5.44 1.74 -1.26 -4.72 116.66 126.37 2jop n ARG 121 Ca 0.43 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 2jop n ARG 121 Cb 0.47 -0.02 0.00 0.00 -1.02 0.00 0.00 32.46 31.89 2jop n ARG 121 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2jop n ASN 122 N -2.52 0.00 -4.13 0.55 4.13 -1.26 -3.95 115.26 108.08 2jop n ASN 122 Ca -0.00 0.58 -0.37 0.00 1.68 0.00 0.00 54.58 56.47 2jop n ASN 122 Cb 0.00 -0.08 -0.10 0.00 -1.54 0.00 0.00 39.78 38.06 2jop n ASN 122 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2jop s ASP 123 N -2.51 5.35 -0.05 6.41 1.01 -1.26 -5.06 116.67 120.56 2jop s ASP 123 Ca 0.00 -2.44 -0.31 0.00 0.71 0.00 0.00 52.55 50.51 2jop s ASP 123 Cb 0.00 -1.88 -0.09 0.00 1.01 0.00 0.00 42.92 41.96 2jop s ASP 123 CO 0.00 -0.48 1.99 1.15 0.21 0.00 0.00 175.17 178.04 2jop n MET 124 N 4.07 2.48 -1.79 8.23 0.00 -1.25 -4.85 117.12 124.01 2jop n MET 124 Ca 0.03 0.88 -0.42 0.00 0.00 0.00 0.00 57.70 58.19 2jop n MET 124 Cb 0.40 -2.91 -0.03 0.00 0.00 0.00 0.00 33.22 30.69 2jop n MET 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2jop s HIS 126 N 0.74 2.09 -1.19 0.00 3.76 -1.26 -4.61 115.29 114.82 2jop s HIS 126 Ca 0.70 1.42 -0.13 0.00 -0.15 0.00 0.00 55.06 56.89 2jop s HIS 126 Cb -0.48 -3.17 -0.06 0.00 1.11 0.00 0.00 32.58 29.98 2jop s HIS 126 CO 0.37 -2.56 2.29 -1.13 -0.85 0.00 0.00 174.74 172.86 2jop n SER 127 N -4.03 4.92 -4.67 1.40 3.41 -1.26 -4.87 113.62 108.53 2jop n SER 127 Ca 0.08 -2.61 -0.42 0.00 -0.26 0.00 0.00 58.87 55.66 2jop n SER 127 Cb 0.54 -1.36 -0.03 0.00 -0.26 0.00 0.00 64.21 63.10 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 0.95 4.35 0.56 1.04 2.01 -1.26 -1.06 118.68 125.26 2jop s LEU 128 Ca 0.53 2.37 0.08 0.00 0.01 0.00 0.00 54.13 57.13 2jop s LEU 128 Cb 0.14 -3.54 0.07 0.00 0.01 0.00 0.00 46.19 42.87 2jop s LEU 128 CO -0.02 -0.92 0.67 -0.83 1.01 0.00 0.00 176.35 176.26 2jop s GLY 129 N 3.16 1.92 -0.13 -3.19 0.00 0.69 -3.49 107.32 106.28 2jop s GLY 129 Ca 0.75 -1.88 -0.08 0.00 0.00 0.00 0.00 44.72 43.51 2jop s GLY 129 CO 0.32 -1.75 0.32 1.08 0.00 0.00 0.00 173.10 173.07 2jop s LEU 130 N -4.54 0.30 -0.23 0.66 1.43 -1.18 -2.42 118.68 112.69 2jop s LEU 130 Ca 0.54 0.68 -0.03 0.00 -1.03 0.00 0.00 54.13 54.28 2jop s LEU 130 Cb -0.05 1.03 0.10 0.00 0.03 0.00 0.00 46.19 47.30 2jop s LEU 130 CO 0.34 -0.17 0.21 -0.89 0.23 0.00 0.00 176.35 176.07 2jop s THR 131 N 1.10 -0.28 -0.34 5.49 2.01 -0.90 -1.96 115.64 120.76 2jop s THR 131 Ca -0.08 -0.27 -0.38 0.00 0.31 0.00 0.00 61.69 61.27 2jop s THR 131 Cb -0.08 -0.76 -0.14 0.00 0.01 0.00 0.00 72.50 71.53 2jop s THR 131 CO -0.08 -0.33 2.02 0.00 -0.69 0.00 0.00 174.62 175.54 2jop n LEU 133 N 7.87 0.00 0.00 0.00 7.94 0.71 -4.61 117.00 128.90 2jop n LEU 133 Ca 0.38 0.00 0.16 0.00 -1.11 0.00 0.00 56.01 55.44 2jop n LEU 133 Cb 0.15 0.00 0.95 0.00 0.53 0.00 0.00 43.42 45.05 2jop n LEU 133 CO 0.80 0.00 1.11 -1.84 -1.11 0.00 0.00 177.39 176.34