#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 0.36 -3.82 2.89 4.77 -1.26 -4.95 117.00 114.99 2jop n LEU 26 Ca 0.00 -4.58 -0.12 0.00 -0.03 0.00 0.00 56.01 51.28 2jop n LEU 26 Cb 0.00 0.24 -0.12 0.00 -2.33 0.00 0.00 43.42 41.21 2jop n LEU 26 CO 0.00 1.84 -0.16 -0.94 -1.33 0.00 0.00 177.39 176.80 2jop s SER 27 N -0.33 -0.16 0.00 -1.43 1.04 -1.25 -0.85 113.70 110.71 2jop s SER 27 Ca 0.31 0.29 0.00 0.00 0.48 0.00 0.00 55.95 57.03 2jop s SER 27 Cb 0.02 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2jop s SER 27 CO -0.19 -0.11 0.63 -2.67 0.98 0.00 0.00 173.24 171.88 2jop n TRP 28 N 2.77 0.00 -0.21 5.02 4.27 -1.26 -1.42 117.44 126.61 2jop n TRP 28 Ca -0.14 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.47 2jop n TRP 28 Cb 0.58 -0.06 0.01 0.00 -1.36 0.00 0.00 31.31 30.48 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 -0.15 0.00 -2.50 -2.67 0.18 -1.26 -4.44 117.16 106.31 2jop n TYR 29 Ca 0.00 -0.44 -0.41 0.00 1.88 0.00 0.00 57.90 58.93 2jop n TYR 29 Cb 0.15 -0.05 -0.04 0.00 -0.38 0.00 0.00 39.34 39.03 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 -0.92 7.27 0.59 9.48 -1.08 -0.51 -4.94 116.67 126.57 2jop s ASP 30 Ca 0.01 2.15 0.33 0.00 -0.52 0.00 0.00 52.55 54.53 2jop s ASP 30 Cb 0.01 -2.61 1.85 0.00 -1.46 0.00 0.00 42.92 40.71 2jop s ASP 30 CO 0.00 -0.19 2.22 1.55 0.52 0.00 0.00 175.17 179.27 2jop h PRO 31 N 4.65 0.00 0.00 4.34 0.13 -1.96 -2.56 132.00 136.60 2jop h PRO 31 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 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 0.71 0.04 -0.08 -3.47 -0.23 0.00 0.00 178.00 174.96 2jop n ASP 32 N -3.53 1.88 -4.75 1.44 2.03 -1.26 -5.03 116.55 107.33 2jop n ASP 32 Ca -0.02 -2.76 -0.40 0.00 0.52 0.00 0.00 54.79 52.12 2jop n ASP 32 Cb 0.14 -0.34 -0.05 0.00 -0.72 0.00 0.00 41.12 40.15 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 -2.17 3.82 -0.35 -0.67 5.36 -0.97 -5.02 117.98 117.99 2jop s PHE 33 Ca 0.23 1.66 -0.19 0.00 -0.96 0.00 0.00 56.93 57.67 2jop s PHE 33 Cb 0.20 -2.90 -0.00 0.00 -0.34 0.00 0.00 43.02 39.98 2jop s PHE 33 CO 0.02 0.32 0.56 -0.65 -1.46 0.00 0.00 175.22 174.01 2jop s GLN 34 N -0.38 3.63 0.01 10.12 1.11 -1.26 -4.92 119.66 127.97 2jop s GLN 34 Ca 0.41 -0.09 -0.05 0.00 0.01 0.00 0.00 55.36 55.63 2jop s GLN 34 Cb -0.23 -3.81 -0.00 0.00 -1.01 0.00 0.00 33.01 27.96 2jop s GLN 34 CO 0.27 -0.68 0.10 0.00 0.01 0.00 0.00 175.29 174.98 2jop s ALA 35 N 2.51 -0.21 0.09 6.09 0.00 -1.26 -1.79 121.76 127.18 2jop s ALA 35 Ca 0.21 -0.24 -0.14 0.00 0.00 0.00 0.00 51.96 51.79 2jop s ALA 35 Cb -0.15 0.12 0.05 0.00 0.00 0.00 0.00 23.12 23.13 2jop s ALA 35 CO 0.14 -0.19 0.67 2.89 0.00 0.00 0.00 175.76 179.27 2jop n ARG 36 N 1.52 0.35 -3.17 0.00 1.85 -0.04 -4.82 116.66 112.35 2jop n ARG 36 Ca -0.23 -0.84 -0.21 0.00 -1.00 0.00 0.00 57.85 55.58 2jop n ARG 36 Cb 0.55 1.17 0.01 0.00 -1.05 0.00 0.00 32.46 33.14 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 3.75 0.00 2.89 1.43 -1.26 -0.05 118.68 125.44 2jop s LEU 37 Ca 0.15 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 2jop s LEU 37 Cb -0.02 -2.91 0.00 0.00 0.03 0.00 0.00 46.19 43.29 2jop s LEU 37 CO 0.03 -0.63 0.00 0.35 0.23 0.00 0.00 176.35 176.33 2jop n THR 38 N -1.90 0.00 -1.08 5.49 -2.24 0.67 -4.64 114.28 110.59 2jop n THR 38 Ca 0.02 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.49 2jop n THR 38 Cb 0.58 -1.51 -0.04 0.00 -2.10 0.00 0.00 70.33 67.27 2jop n THR 38 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2jop n ARG 39 N -0.62 2.99 -0.04 -0.78 1.85 -1.26 -4.11 116.66 114.69 2jop n ARG 39 Ca 0.00 -1.83 0.12 0.00 -1.00 0.00 0.00 57.85 55.14 2jop n ARG 39 Cb 0.00 -2.60 0.46 0.00 -1.05 0.00 0.00 32.46 29.27 2jop n ARG 39 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2jop n SER 40 N 3.68 1.46 0.00 2.89 7.64 -1.26 -4.94 113.62 123.10 2jop n SER 40 Ca 0.64 -1.58 0.00 0.00 1.01 0.00 0.00 58.87 58.93 2jop n SER 40 Cb 0.25 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 2jop n SER 40 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2jop n ASN 41 N 0.17 0.00 -4.69 6.43 5.15 -1.26 -4.92 115.26 116.14 2jop n ASN 41 Ca 0.17 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.73 2jop n ASN 41 Cb 0.32 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.54 2jop n ASN 41 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2jop s SER 42 N 0.00 6.73 0.37 1.20 0.01 -1.26 -4.90 113.70 115.85 2jop s SER 42 Ca 0.00 2.30 0.15 0.00 1.31 0.00 0.00 55.95 59.71 2jop s SER 42 Cb 0.00 -2.56 0.73 0.00 0.21 0.00 0.00 66.02 64.40 2jop s SER 42 CO 0.00 -0.80 1.80 0.11 0.41 0.00 0.00 173.24 174.76 2jop h LYS 43 N 8.04 0.00 0.00 12.44 1.79 -1.95 -2.84 116.57 134.04 2jop h LYS 43 Ca -0.40 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.07 2jop h LYS 43 Cb 1.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2jop h LYS 43 CO 0.92 0.39 -0.13 0.00 -1.08 0.00 0.00 179.45 179.54 2jop s GLN 45 N -2.85 0.03 0.00 0.00 -0.21 -1.07 -0.16 119.66 115.39 2jop s GLN 45 Ca 0.32 0.39 0.00 0.00 0.02 0.00 0.00 55.36 56.09 2jop s GLN 45 Cb 0.29 -0.26 0.00 0.00 1.00 0.00 0.00 33.01 34.04 2jop s GLN 45 CO 0.01 -0.23 0.00 0.41 -2.12 0.00 0.00 175.29 173.36 2jop n GLY 46 N 4.64 -0.12 3.87 3.09 0.00 -1.02 -4.07 105.19 111.58 2jop n GLY 46 Ca -0.18 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 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 3.64 0.11 1.61 -0.21 -1.26 -3.88 119.66 117.67 2jop s GLN 47 Ca 0.00 0.68 -0.30 0.00 0.02 0.00 0.00 55.36 55.76 2jop s GLN 47 Cb 0.00 -2.14 -0.06 0.00 1.00 0.00 0.00 33.01 31.81 2jop s GLN 47 CO 0.00 -0.46 1.04 -1.17 -2.12 0.00 0.00 175.29 172.58 2jop s LEU 48 N -4.93 4.46 -0.12 2.90 2.96 -1.26 -0.24 118.68 122.44 2jop s LEU 48 Ca 0.54 1.89 -0.01 0.00 -0.22 0.00 0.00 54.13 56.34 2jop s LEU 48 Cb -0.11 -3.59 0.03 0.00 0.50 0.00 0.00 46.19 43.03 2jop s LEU 48 CO 0.49 -0.20 -0.04 -0.70 -1.32 0.00 0.00 176.35 174.57 2jop s GLU 49 N 0.21 1.23 -0.02 1.98 2.12 0.93 -1.40 118.70 123.75 2jop s GLU 49 Ca 0.50 -0.25 0.04 0.00 0.36 0.00 0.00 54.97 55.62 2jop s GLU 49 Cb -0.26 -1.60 -0.01 0.00 0.26 0.00 0.00 34.13 32.53 2jop s GLU 49 CO 0.31 -0.35 -0.13 0.14 -0.54 0.00 0.00 175.26 174.69 2jop s VAL 50 N 1.76 1.08 -0.49 3.70 -7.23 -0.74 -0.86 120.40 117.62 2jop s VAL 50 Ca 0.03 -0.56 -0.22 0.00 -1.81 0.00 0.00 61.98 59.43 2jop s VAL 50 Cb -0.13 -0.92 0.04 0.00 0.56 0.00 0.00 36.38 35.92 2jop s VAL 50 CO -0.07 0.31 0.77 -0.47 -0.31 0.00 0.00 175.10 175.33 2jop s TYR 51 N -0.11 2.96 -0.05 2.82 5.04 -0.74 0.01 117.35 127.28 2jop s TYR 51 Ca 0.01 -0.06 -0.07 0.00 -2.44 0.00 0.00 57.07 54.51 2jop s TYR 51 Cb -0.08 -3.69 0.01 0.00 0.35 0.00 0.00 41.96 38.55 2jop s TYR 51 CO 0.00 -1.08 0.18 -0.48 -1.34 0.00 0.00 175.55 172.84 2jop s LEU 52 N 3.26 1.33 0.00 6.97 -0.00 -0.71 -4.68 118.68 124.86 2jop s LEU 52 Ca 0.26 0.22 0.00 0.00 -0.00 0.00 0.00 54.13 54.61 2jop s LEU 52 Cb -0.14 0.68 0.00 0.00 -0.00 0.00 0.00 46.19 46.73 2jop s LEU 52 CO 0.19 -0.16 0.00 1.17 -0.00 0.00 0.00 176.35 177.55 2jop n LYS 53 N 2.53 0.00 0.00 1.48 3.00 -1.26 -1.73 118.16 122.18 2jop n LYS 53 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.16 2jop n LYS 53 Cb 0.58 -0.23 0.00 0.00 0.00 0.00 0.00 35.03 35.38 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 0.99 0.00 -4.73 3.14 5.75 -1.26 -5.14 116.55 115.29 2jop n ASP 54 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 54.79 54.41 2jop n ASP 54 Cb 0.00 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.03 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 2.33 -1.14 6.12 0.00 -0.70 -4.97 107.32 108.96 2jop s GLY 55 Ca 0.00 -0.29 -0.22 0.00 0.00 0.00 0.00 44.72 44.21 2jop s GLY 55 CO 0.00 0.60 1.91 0.79 0.00 0.00 0.00 173.10 176.40 2jop n TRP 56 N 3.48 2.83 -2.28 1.90 7.02 -1.26 -1.73 117.44 127.40 2jop n TRP 56 Ca -0.09 -1.70 -0.43 0.00 -1.02 0.00 0.00 57.50 54.26 2jop n TRP 56 Cb 0.52 -2.48 -0.02 0.00 -2.42 0.00 0.00 31.31 26.90 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 9.20 2.36 -0.31 -5.99 3.76 0.10 -4.66 115.29 119.76 2jop s HIS 57 Ca 0.65 0.70 -0.29 0.00 -0.15 0.00 0.00 55.06 55.97 2jop s HIS 57 Cb 0.03 -4.09 -0.01 0.00 1.11 0.00 0.00 32.58 29.61 2jop s HIS 57 CO 0.12 -2.21 1.61 -1.64 -0.85 0.00 0.00 174.74 171.78 2jop s MET 58 N 4.70 3.59 0.60 1.40 -1.94 -1.26 -1.79 119.30 124.60 2jop s MET 58 Ca 0.64 1.38 0.02 0.00 -1.71 0.00 0.00 55.69 56.02 2jop s MET 58 Cb -0.18 -4.08 0.07 0.00 2.01 0.00 0.00 34.83 32.65 2jop s MET 58 CO 0.29 -1.54 0.83 0.14 -0.01 0.00 0.00 175.02 174.72 2jop s VAL 59 N 5.79 2.47 -2.00 -6.03 -7.23 -0.49 -1.24 120.40 111.66 2jop s VAL 59 Ca 0.71 -0.70 0.26 0.00 -1.81 0.00 0.00 61.98 60.43 2jop s VAL 59 Cb -0.21 -2.76 0.73 0.00 0.56 0.00 0.00 36.38 34.70 2jop s VAL 59 CO 0.31 0.00 1.93 0.00 -0.31 0.00 0.00 175.10 177.03 2jop n SER 61 N -0.95 0.00 -0.77 0.00 2.88 -1.26 -4.08 113.62 109.44 2jop n SER 61 Ca 0.19 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.79 2jop n SER 61 Cb 0.09 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 63.72 2jop n SER 61 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jop n GLN 62 N -0.18 1.35 -0.71 -1.46 10.64 -1.25 -4.81 117.38 120.96 2jop n GLN 62 Ca 0.00 -3.10 -0.30 0.00 -1.83 0.00 0.00 57.00 51.77 2jop n GLN 62 Cb 0.00 -1.36 0.26 0.00 -0.86 0.00 0.00 30.24 28.29 2jop n GLN 62 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 2jop s SER 63 N -3.04 -0.05 0.00 2.61 0.01 -1.26 -2.44 113.70 109.54 2jop s SER 63 Ca 0.37 0.79 0.00 0.00 1.31 0.00 0.00 55.95 58.43 2jop s SER 63 Cb 0.37 -1.13 0.00 0.00 0.21 0.00 0.00 66.02 65.48 2jop s SER 63 CO -0.09 -4.74 0.00 0.79 0.41 0.00 0.00 173.24 169.62 2jop n TRP 64 N -5.20 0.00 -2.65 2.43 8.01 0.27 -3.59 117.44 116.71 2jop n TRP 64 Ca 0.12 0.00 -0.03 0.00 -1.31 0.00 0.00 57.50 56.28 2jop n TRP 64 Cb 0.59 0.00 0.05 0.00 -2.01 0.00 0.00 31.31 29.94 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 -1.31 3.52 6.99 0.00 -1.26 -1.32 105.19 111.81 2jop n GLY 65 Ca 0.00 0.47 -0.34 0.00 0.00 0.00 0.00 46.02 46.15 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 0.02 3.74 0.14 1.61 1.81 -1.02 -4.88 118.95 120.36 2jop s ARG 66 Ca 0.11 -0.47 -0.25 0.00 -1.72 0.00 0.00 55.73 53.40 2jop s ARG 66 Cb 0.17 -3.06 -0.07 0.00 -0.45 0.00 0.00 34.95 31.53 2jop s ARG 66 CO -0.11 0.17 0.78 -1.12 -0.68 0.00 0.00 175.30 174.34 2jop s SER 67 N 0.59 7.36 -0.51 0.23 0.01 -1.26 -4.83 113.70 115.28 2jop s SER 67 Ca -0.00 1.61 -0.27 0.00 1.31 0.00 0.00 55.95 58.59 2jop s SER 67 Cb -0.14 -2.50 -0.02 0.00 0.21 0.00 0.00 66.02 63.58 2jop s SER 67 CO 0.02 0.16 1.83 -0.94 0.41 0.00 0.00 173.24 174.72 2jop s SER 68 N -0.86 5.51 -0.24 2.44 1.04 -1.26 -4.90 113.70 115.43 2jop s SER 68 Ca 0.37 0.70 -0.14 0.00 0.48 0.00 0.00 55.95 57.35 2jop s SER 68 Cb -0.23 -2.53 0.07 0.00 0.10 0.00 0.00 66.02 63.44 2jop s SER 68 CO 0.26 -2.12 0.58 -0.75 0.98 0.00 0.00 173.24 172.19 2jop s LYS 69 N 6.51 0.60 -0.13 4.02 2.20 -1.26 -5.11 119.74 126.56 2jop s LYS 69 Ca 0.72 1.04 -0.29 0.00 -0.36 0.00 0.00 55.97 57.08 2jop s LYS 69 Cb -0.16 0.10 -0.05 0.00 -1.51 0.00 0.00 37.83 36.20 2jop s LYS 69 CO 0.26 -0.15 1.88 -0.65 -0.36 0.00 0.00 175.35 176.33 2jop s GLN 70 N 1.46 3.74 -0.72 4.03 -0.21 -1.26 -3.08 119.66 123.62 2jop s GLN 70 Ca -0.09 2.07 -0.02 0.00 0.02 0.00 0.00 55.36 57.34 2jop s GLN 70 Cb -0.06 -4.16 0.00 0.00 1.00 0.00 0.00 33.01 29.79 2jop s GLN 70 CO -0.16 -1.38 0.68 0.91 -2.12 0.00 0.00 175.29 173.22 2jop n TRP 71 N 8.96 -2.91 -0.08 0.91 7.02 -0.57 -4.99 117.44 125.78 2jop n TRP 71 Ca 0.22 1.12 -0.13 0.00 -1.02 0.00 0.00 57.50 57.69 2jop n TRP 71 Cb 0.44 -3.93 -0.09 0.00 -2.42 0.00 0.00 31.31 25.30 2jop n TRP 71 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 2jop h GLU 72 N 0.51 0.00 0.00 -0.99 4.57 -1.79 -3.48 114.58 113.39 2jop h GLU 72 Ca -0.08 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2jop h GLU 72 Cb 1.05 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 2jop h GLU 72 CO 0.30 0.75 0.00 -3.47 -1.18 0.00 0.00 179.01 175.41 2jop n ASP 73 N -4.58 0.00 -0.38 1.04 2.03 -1.26 -5.05 116.55 108.35 2jop n ASP 73 Ca -0.15 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.29 2jop n ASP 73 Cb 0.45 0.00 0.25 0.00 -0.72 0.00 0.00 41.12 41.10 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 1.09 0.21 -0.67 -0.04 -1.26 -4.52 135.00 129.81 2jop n PRO 74 Ca 0.00 -0.76 0.14 0.00 -0.04 0.00 0.00 63.50 62.84 2jop n PRO 74 Cb 0.00 -1.48 0.51 0.00 -0.04 0.00 0.00 33.50 32.49 2jop n PRO 74 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2jop h SER 75 N 1.85 0.00 0.12 3.54 4.64 -1.90 -3.27 113.55 118.53 2jop h SER 75 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jop h SER 75 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2jop h SER 75 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2jop n GLN 76 N -2.75 0.11 -0.46 4.77 1.13 -1.26 -1.65 117.38 117.27 2jop n GLN 76 Ca 0.02 0.20 0.07 0.00 -1.94 0.00 0.00 57.00 55.35 2jop n GLN 76 Cb 0.34 -1.50 0.15 0.00 0.11 0.00 0.00 30.24 29.34 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 -1.26 2.90 -0.26 -1.58 0.00 -1.23 -4.23 120.51 114.83 2jop n ALA 77 Ca 0.04 -2.81 0.05 0.00 0.00 0.00 0.00 53.44 50.72 2jop n ALA 77 Cb 0.05 -0.40 0.19 0.00 0.00 0.00 0.00 19.45 19.29 2jop n ALA 77 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jop h SER 78 N 0.54 0.36 -0.41 0.00 0.87 -1.57 -1.78 113.55 111.56 2jop h SER 78 Ca -0.02 0.10 -0.05 0.00 -1.23 0.00 0.00 61.79 60.60 2jop h SER 78 Cb 1.10 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 63.10 2jop h SER 78 CO 0.01 0.15 0.11 0.50 -0.53 0.00 0.00 176.83 177.06 2jop h LYS 79 N 0.50 0.72 -0.08 2.24 1.63 -1.86 -0.38 116.57 119.34 2jop h LYS 79 Ca 0.42 -0.14 -0.17 0.00 -0.85 0.00 0.00 60.65 59.91 2jop h LYS 79 Cb 0.60 -0.11 0.01 0.00 -0.60 0.00 0.00 32.23 32.13 2jop h LYS 79 CO -0.38 0.66 -0.62 -0.39 -3.45 0.00 0.00 179.45 175.27 2jop h VAL 80 N 0.70 1.35 0.00 2.00 -1.51 -1.55 0.19 116.25 117.43 2jop h VAL 80 Ca 0.16 -1.94 -0.15 0.00 -1.23 0.00 0.00 66.70 63.53 2jop h VAL 80 Cb 0.27 2.26 -0.02 0.00 -2.13 0.00 0.00 31.29 31.66 2jop h VAL 80 CO -0.00 0.59 -0.71 0.00 -1.23 0.00 0.00 177.57 176.22 2jop h GLN 82 N 0.00 0.88 0.00 0.00 4.15 -0.94 0.15 115.11 119.35 2jop h GLN 82 Ca -0.01 -0.22 -0.04 0.00 0.77 0.00 0.00 58.65 59.15 2jop h GLN 82 Cb 1.33 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.90 2jop h GLN 82 CO 0.09 0.83 -0.19 -0.09 -1.93 0.00 0.00 178.83 177.54 2jop h ARG 83 N 0.83 0.00 -0.63 1.69 9.65 -0.20 -1.14 114.38 124.58 2jop h ARG 83 Ca 0.17 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 2jop h ARG 83 Cb 0.40 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.98 2jop h ARG 83 CO 0.01 0.19 0.00 1.28 2.80 0.00 0.00 179.97 184.26 2jop n LEU 84 N -3.87 3.86 -3.05 3.80 4.77 -0.67 -4.93 117.00 116.91 2jop n LEU 84 Ca -0.02 -1.94 -0.18 0.00 -0.03 0.00 0.00 56.01 53.84 2jop n LEU 84 Cb 0.29 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.87 2jop n LEU 84 CO 0.33 0.70 -0.07 -0.46 -1.33 0.00 0.00 177.39 176.57 2jop n ASN 85 N 0.95 -3.17 -0.70 -1.43 0.23 -0.43 -4.82 115.26 105.89 2jop n ASN 85 Ca 0.21 -0.14 0.12 0.00 -0.53 0.00 0.00 54.58 54.24 2jop n ASN 85 Cb 0.71 -2.68 0.21 0.00 -2.08 0.00 0.00 39.78 35.94 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 1.32 1.15 3.89 0.00 0.00 -1.22 -4.60 105.19 105.72 2jop n GLY 87 Ca 0.14 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 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 4.32 0.54 1.61 1.01 -1.26 -2.94 116.67 115.94 2jop s ASP 88 Ca 0.00 0.79 -0.18 0.00 0.71 0.00 0.00 52.55 53.87 2jop s ASP 88 Cb 0.00 -1.27 -0.06 0.00 1.01 0.00 0.00 42.92 42.59 2jop s ASP 88 CO 0.00 -2.03 1.03 -2.16 0.21 0.00 0.00 175.17 172.23 2jop s PRO 89 N -5.55 3.63 -0.44 8.23 0.04 -1.26 -1.16 135.00 138.49 2jop s PRO 89 Ca 0.63 1.21 -0.39 0.00 0.04 0.00 0.00 61.00 62.49 2jop s PRO 89 Cb -0.11 -2.08 -0.17 0.00 0.04 0.00 0.00 34.50 32.18 2jop s PRO 89 CO 0.50 -0.55 1.80 1.47 0.04 0.00 0.00 177.00 180.26 2jop n LEU 90 N -1.52 0.71 -4.75 -3.56 -0.00 -1.24 -0.36 117.00 106.28 2jop n LEU 90 Ca 0.08 0.66 -0.36 0.00 -0.00 0.00 0.00 56.01 56.39 2jop n LEU 90 Cb 0.53 -0.78 0.04 0.00 -0.00 0.00 0.00 43.42 43.21 2jop n LEU 90 CO 0.44 -0.68 0.84 -0.94 -0.00 0.00 0.00 177.39 177.05 2jop s SER 91 N 4.87 5.00 -0.27 1.45 1.04 0.46 -4.37 113.70 121.88 2jop s SER 91 Ca 1.03 2.41 -0.11 0.00 0.48 0.00 0.00 55.95 59.75 2jop s SER 91 Cb -1.31 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 62.16 2jop s SER 91 CO 0.60 -1.72 0.20 -0.76 0.98 0.00 0.00 173.24 172.54 2jop s LEU 92 N -4.25 4.03 -0.29 2.42 1.43 -1.26 -1.93 118.68 118.84 2jop s LEU 92 Ca 0.77 0.03 -0.16 0.00 -1.03 0.00 0.00 54.13 53.74 2jop s LEU 92 Cb -0.31 -2.14 0.14 0.00 0.03 0.00 0.00 46.19 43.91 2jop s LEU 92 CO 0.35 -0.05 0.93 -0.83 0.23 0.00 0.00 176.35 176.99 2jop s GLY 93 N 1.68 -0.12 -0.09 -3.19 0.00 -0.51 -1.52 107.32 103.58 2jop s GLY 93 Ca 0.08 3.02 -0.34 0.00 0.00 0.00 0.00 44.72 47.48 2jop s GLY 93 CO 0.10 2.61 1.89 -1.55 0.00 0.00 0.00 173.10 176.16 2jop n PRO 94 N 3.90 2.22 0.00 2.90 -0.04 -1.26 -0.38 135.00 142.34 2jop n PRO 94 Ca -0.18 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 2jop n PRO 94 Cb 0.57 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 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 6.73 0.00 -3.65 0.54 -0.00 -0.06 -4.63 117.46 116.39 2jop n PHE 95 Ca 0.23 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.65 2jop n PHE 95 Cb 0.30 0.00 -0.06 0.00 -0.00 0.00 0.00 39.48 39.72 2jop n PHE 95 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 2jop s LEU 96 N -0.82 -0.06 -0.74 -2.13 2.96 -1.26 -5.00 118.68 111.64 2jop s LEU 96 Ca 0.00 0.10 -0.26 0.00 -0.22 0.00 0.00 54.13 53.75 2jop s LEU 96 Cb 0.00 1.12 0.00 0.00 0.50 0.00 0.00 46.19 47.81 2jop s LEU 96 CO 0.00 -0.03 1.61 -1.59 -1.32 0.00 0.00 176.35 175.02 2jop s LYS 97 N -0.19 2.93 -0.01 1.98 -2.85 -1.26 -4.68 119.74 115.67 2jop s LYS 97 Ca 0.08 0.01 0.11 0.00 -1.00 0.00 0.00 55.97 55.16 2jop s LYS 97 Cb -0.04 -4.48 -0.14 0.00 -2.06 0.00 0.00 37.83 31.10 2jop s LYS 97 CO -0.14 -2.53 0.35 2.41 0.10 0.00 0.00 175.35 175.54 2jop n THR 98 N 6.93 0.00 -2.02 3.79 -1.04 -1.26 -5.02 114.28 115.66 2jop n THR 98 Ca 0.17 -0.25 -0.29 0.00 -2.04 0.00 0.00 64.05 61.64 2jop n THR 98 Cb 0.50 0.64 0.19 0.00 -1.82 0.00 0.00 70.33 69.84 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 -2.36 1.39 -0.02 -1.42 -0.85 -1.26 -5.10 117.35 107.73 2jop s TYR 99 Ca 0.00 0.18 0.01 0.00 -0.52 0.00 0.00 57.07 56.74 2jop s TYR 99 Cb 0.07 -4.06 0.00 0.00 0.38 0.00 0.00 41.96 38.36 2jop s TYR 99 CO 0.44 -2.66 -0.05 -0.08 -1.52 0.00 0.00 175.55 171.68 2jop s THR 100 N -3.84 0.43 -1.51 -3.49 -1.32 -1.26 -5.02 115.64 99.63 2jop s THR 100 Ca 0.75 -0.18 0.00 0.00 -1.21 0.00 0.00 61.69 61.05 2jop s THR 100 Cb -0.03 -0.40 0.00 0.00 -1.51 0.00 0.00 72.50 70.56 2jop s THR 100 CO 0.53 0.15 0.36 -2.65 -2.21 0.00 0.00 174.62 170.80 2jop n PRO 101 N 3.31 0.48 -0.08 7.08 -0.02 -1.26 -0.38 135.00 144.13 2jop n PRO 101 Ca -0.17 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.20 2jop n PRO 101 Cb 0.56 -1.12 -0.04 0.00 -0.02 0.00 0.00 33.50 32.88 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 0.49 -0.04 -0.52 7.27 -1.26 -4.36 117.38 118.83 2jop n GLN 102 Ca 0.00 0.20 0.02 0.00 0.07 0.00 0.00 57.00 57.29 2jop n GLN 102 Cb 0.06 -1.35 -0.14 0.00 2.41 0.00 0.00 30.24 31.22 2jop n GLN 102 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 2jop n SER 103 N -4.34 0.67 -4.83 1.69 3.41 -1.15 -4.90 113.62 104.17 2jop n SER 103 Ca -0.18 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.11 2jop n SER 103 Cb 0.52 1.49 -0.06 0.00 -0.26 0.00 0.00 64.21 65.90 2jop n SER 103 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2jop s SER 104 N -4.58 6.84 0.21 4.04 0.15 0.49 -4.77 113.70 116.08 2jop s SER 104 Ca -0.08 1.56 0.09 0.00 0.70 0.00 0.00 55.95 58.21 2jop s SER 104 Cb 0.09 -2.49 -0.05 0.00 -1.71 0.00 0.00 66.02 61.87 2jop s SER 104 CO 0.76 -0.36 -0.16 0.27 1.20 0.00 0.00 173.24 174.95 2jop s ILE 105 N -2.21 1.86 -0.23 6.45 -5.25 -0.38 -2.04 121.20 119.41 2jop s ILE 105 Ca 0.59 -2.19 -0.00 0.00 -0.99 0.00 0.00 60.65 58.06 2jop s ILE 105 Cb -0.09 -2.05 0.06 0.00 2.95 0.00 0.00 42.46 43.33 2jop s ILE 105 CO 0.17 -0.52 -0.01 -0.63 -1.79 0.00 0.00 174.94 172.17 2jop s ILE 106 N -2.74 1.16 0.69 8.37 1.01 0.65 -2.52 121.20 127.82 2jop s ILE 106 Ca 0.22 -1.05 -0.09 0.00 0.00 0.00 0.00 60.65 59.73 2jop s ILE 106 Cb -0.02 -1.56 0.04 0.00 0.01 0.00 0.00 42.46 40.93 2jop s ILE 106 CO 0.08 -0.20 1.04 0.00 0.00 0.00 0.00 174.94 175.85 2jop s TYR 108 N -3.27 -0.02 0.00 0.00 2.02 -1.26 0.93 117.35 115.76 2jop s TYR 108 Ca 0.58 -0.06 0.00 0.00 -0.37 0.00 0.00 57.07 57.22 2jop s TYR 108 Cb -0.11 0.00 0.00 0.00 -0.40 0.00 0.00 41.96 41.45 2jop s TYR 108 CO 0.47 -0.36 0.00 0.41 -1.57 0.00 0.00 175.55 174.50 2jop n GLY 109 N 1.16 0.45 3.66 0.71 0.00 -0.43 -4.79 105.19 105.94 2jop n GLY 109 Ca -0.21 -1.30 -0.37 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.56 4.07 -0.02 1.61 0.74 -1.26 -4.24 119.66 118.99 2jop s GLN 110 Ca 0.00 -0.25 -0.36 0.00 0.05 0.00 0.00 55.36 54.81 2jop s GLN 110 Cb 0.00 -3.55 -0.14 0.00 1.10 0.00 0.00 33.01 30.42 2jop s GLN 110 CO 0.00 0.04 1.65 -0.11 -0.55 0.00 0.00 175.29 176.32 2jop n LEU 111 N 4.36 2.74 0.00 3.68 7.94 -1.26 -1.73 117.00 132.73 2jop n LEU 111 Ca -0.15 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.81 2jop n LEU 111 Cb 0.52 -1.30 0.00 0.00 0.53 0.00 0.00 43.42 43.17 2jop n LEU 111 CO 0.35 -0.41 0.00 0.61 -1.11 0.00 0.00 177.39 176.83 2jop n GLY 112 N 3.68 1.19 3.38 -3.96 0.00 -1.26 -5.04 105.19 103.18 2jop n GLY 112 Ca 0.21 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.95 6.56 -0.13 1.61 0.01 -0.70 -3.97 113.70 116.13 2jop s SER 113 Ca 0.00 -2.16 0.02 0.00 1.31 0.00 0.00 55.95 55.12 2jop s SER 113 Cb 0.00 -2.29 0.23 0.00 0.21 0.00 0.00 66.02 64.16 2jop s SER 113 CO 0.00 -0.87 1.22 0.49 0.41 0.00 0.00 173.24 174.49 2jop n PHE 114 N 5.40 0.93 0.05 2.43 3.01 -0.03 -4.11 117.46 125.14 2jop n PHE 114 Ca 0.10 -0.79 -0.11 0.00 1.01 0.00 0.00 57.45 57.66 2jop n PHE 114 Cb 0.46 -0.43 -0.13 0.00 -0.01 0.00 0.00 39.48 39.37 2jop n PHE 114 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2jop h SER 115 N 0.52 0.16 -3.47 4.37 4.64 -1.90 -3.44 113.55 114.43 2jop h SER 115 Ca 0.16 -0.21 -0.50 0.00 -0.47 0.00 0.00 61.79 60.77 2jop h SER 115 Cb 1.48 -0.05 -0.33 0.00 -0.31 0.00 0.00 62.40 63.18 2jop h SER 115 CO 0.32 1.17 -0.81 0.21 -0.87 0.00 0.00 176.83 176.85 2jop s ASN 116 N -6.71 1.69 0.10 4.97 2.47 -1.26 -4.97 114.94 111.24 2jop s ASN 116 Ca -0.04 -0.28 0.01 0.00 0.42 0.00 0.00 52.86 52.98 2jop s ASN 116 Cb 0.08 -0.76 -0.01 0.00 -1.45 0.00 0.00 41.25 39.12 2jop s ASN 116 CO 0.84 0.03 0.05 0.00 -3.72 0.00 0.00 177.10 174.31 2jop s SER 118 N -1.66 -0.27 0.61 0.00 0.01 -1.15 -4.84 113.70 106.40 2jop s SER 118 Ca 0.08 -0.32 -0.14 0.00 1.31 0.00 0.00 55.95 56.87 2jop s SER 118 Cb 0.00 0.50 -0.03 0.00 0.21 0.00 0.00 66.02 66.71 2jop s SER 118 CO 0.05 -0.90 1.05 -1.00 0.41 0.00 0.00 173.24 172.86 2jop s HIS 119 N -3.81 3.08 -0.68 2.43 3.76 -1.26 -0.25 115.29 118.55 2jop s HIS 119 Ca 0.04 1.48 -0.26 0.00 -0.15 0.00 0.00 55.06 56.17 2jop s HIS 119 Cb 0.01 -2.95 -0.05 0.00 1.11 0.00 0.00 32.58 30.71 2jop s HIS 119 CO -0.10 -1.06 2.03 0.45 -0.85 0.00 0.00 174.74 175.20 2jop s SER 120 N -3.11 4.97 0.00 1.40 0.15 -0.87 -4.21 113.70 112.03 2jop s SER 120 Ca 0.61 0.18 0.20 0.00 0.70 0.00 0.00 55.95 57.65 2jop s SER 120 Cb -0.15 -2.53 0.58 0.00 -1.71 0.00 0.00 66.02 62.21 2jop s SER 120 CO 0.41 -2.69 1.46 0.54 1.20 0.00 0.00 173.24 174.16 2jop n ARG 121 N 9.04 2.04 -4.21 5.44 5.12 -1.26 -4.53 116.66 128.31 2jop n ARG 121 Ca 0.30 -1.58 -0.28 0.00 -1.93 0.00 0.00 57.85 54.37 2jop n ARG 121 Cb 0.50 -1.43 -0.08 0.00 -1.16 0.00 0.00 32.46 30.29 2jop n ARG 121 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 2jop s ASN 122 N -1.44 4.67 0.14 0.55 0.01 -1.26 -5.03 114.94 112.57 2jop s ASN 122 Ca 0.34 -0.37 -0.12 0.00 -0.71 0.00 0.00 52.86 52.00 2jop s ASN 122 Cb 0.19 -0.97 -0.01 0.00 0.41 0.00 0.00 41.25 40.87 2jop s ASN 122 CO 0.27 0.13 1.53 -0.78 -1.51 0.00 0.00 177.10 176.74 2jop h ASP 123 N 3.08 0.93 -3.59 -1.22 3.58 -2.01 -3.45 116.42 113.74 2jop h ASP 123 Ca -0.48 -0.39 -0.02 0.00 0.42 0.00 0.00 57.03 56.57 2jop h ASP 123 Cb 1.19 -0.25 -0.21 0.00 1.72 0.00 0.00 39.33 41.77 2jop h ASP 123 CO 0.56 1.11 0.08 0.00 -2.88 0.00 0.00 179.24 178.11 2jop s MET 124 N -4.69 0.78 -0.09 0.28 0.23 -1.26 -4.88 119.30 109.67 2jop s MET 124 Ca -0.12 1.09 0.07 0.00 -1.03 0.00 0.00 55.69 55.70 2jop s MET 124 Cb 0.11 0.30 0.36 0.00 -1.53 0.00 0.00 34.83 34.07 2jop s MET 124 CO 0.85 -0.12 1.10 0.00 -2.03 0.00 0.00 175.02 174.82 2jop n HIS 126 N 0.32 0.00 -3.65 0.00 -0.00 -1.26 -4.60 115.22 106.03 2jop n HIS 126 Ca 0.12 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 58.02 2jop n HIS 126 Cb 0.61 0.00 0.04 0.00 -0.12 0.00 0.00 29.99 30.51 2jop n HIS 126 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2jop n SER 127 N 0.06 -5.49 -4.57 0.26 3.41 -1.26 -4.60 113.62 101.44 2jop n SER 127 Ca 0.00 -0.94 -0.41 0.00 -0.26 0.00 0.00 58.87 57.26 2jop n SER 127 Cb 0.00 -3.33 -0.04 0.00 -0.26 0.00 0.00 64.21 60.58 2jop n SER 127 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2jop n LEU 128 N -3.86 2.75 0.00 1.04 7.94 -1.26 -0.88 117.00 122.74 2jop n LEU 128 Ca -0.11 -0.06 -0.20 0.00 -1.11 0.00 0.00 56.01 54.53 2jop n LEU 128 Cb 0.59 -1.53 0.13 0.00 0.53 0.00 0.00 43.42 43.14 2jop n LEU 128 CO 0.66 -1.04 0.58 0.61 -1.11 0.00 0.00 177.39 177.09 2jop n GLY 129 N 5.94 -0.93 3.12 -3.96 0.00 0.49 -3.86 105.19 105.99 2jop n GLY 129 Ca 0.34 -1.77 -0.12 0.00 0.00 0.00 0.00 46.02 44.47 2jop n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jop s LEU 130 N 0.00 1.29 -0.29 0.99 1.43 -1.24 -1.43 118.68 119.43 2jop s LEU 130 Ca 0.53 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.78 2jop s LEU 130 Cb -0.02 0.78 0.17 0.00 0.03 0.00 0.00 46.19 47.15 2jop s LEU 130 CO 0.36 -0.24 0.45 -0.89 0.23 0.00 0.00 176.35 176.26 2jop s THR 131 N -0.67 -0.72 -0.65 5.49 2.01 -0.81 -2.44 115.64 117.86 2jop s THR 131 Ca -0.08 -0.21 -0.34 0.00 0.31 0.00 0.00 61.69 61.38 2jop s THR 131 Cb -0.04 -0.97 -0.16 0.00 0.01 0.00 0.00 72.50 71.33 2jop s THR 131 CO 0.01 -0.20 2.41 0.00 -0.69 0.00 0.00 174.62 176.15 2jop n LEU 133 N 10.74 0.00 0.00 0.00 7.94 0.51 -4.61 117.00 131.58 2jop n LEU 133 Ca 0.52 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.42 2jop n LEU 133 Cb 0.16 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.11 2jop n LEU 133 CO 0.84 0.00 0.00 -1.84 -1.11 0.00 0.00 177.39 175.28