#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 -3.63 -4.14 6.15 4.77 -1.26 -4.09 117.00 114.80 2jop n LEU 26 Ca 0.00 -0.92 -0.13 0.00 -0.03 0.00 0.00 56.01 54.92 2jop n LEU 26 Cb 0.00 -2.63 -0.07 0.00 -2.33 0.00 0.00 43.42 38.39 2jop n LEU 26 CO 0.00 0.37 -0.02 -0.55 -1.33 0.00 0.00 177.39 175.85 2jop s SER 27 N -3.50 0.58 0.00 -1.43 0.15 -1.26 -0.29 113.70 107.94 2jop s SER 27 Ca 0.44 -1.38 0.00 0.00 0.70 0.00 0.00 55.95 55.71 2jop s SER 27 Cb -0.13 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 2jop s SER 27 CO 0.83 -1.07 0.72 -2.67 1.20 0.00 0.00 173.24 172.25 2jop n TRP 28 N -0.44 0.00 0.63 3.44 2.14 -1.26 -0.93 117.44 121.03 2jop n TRP 28 Ca 0.02 0.00 0.07 0.00 2.07 0.00 0.00 57.50 59.66 2jop n TRP 28 Cb 0.63 -0.01 -0.08 0.00 -0.81 0.00 0.00 31.31 31.04 2jop n TRP 28 CO 0.00 0.00 0.00 2.48 2.07 0.00 0.00 177.69 182.24 2jop n TYR 29 N -0.40 0.00 -2.45 -2.67 0.18 -1.26 -4.53 117.16 106.03 2jop n TYR 29 Ca 0.00 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.37 2jop n TYR 29 Cb 0.03 -0.02 -0.03 0.00 -0.38 0.00 0.00 39.34 38.94 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 -2.39 7.15 0.18 9.48 1.11 -0.10 -4.92 116.67 127.18 2jop s ASP 30 Ca 0.05 2.08 0.21 0.00 0.18 0.00 0.00 52.55 55.08 2jop s ASP 30 Cb 0.11 -2.59 0.88 0.00 1.07 0.00 0.00 42.92 42.38 2jop s ASP 30 CO 0.58 -0.35 1.65 -0.81 1.18 0.00 0.00 175.17 177.42 2jop n PRO 31 N 3.04 0.14 0.09 8.23 -0.04 -1.26 -2.11 135.00 143.10 2jop n PRO 31 Ca 0.06 0.35 0.11 0.00 -0.04 0.00 0.00 63.50 63.97 2jop n PRO 31 Cb 0.46 -1.75 -0.01 0.00 -0.04 0.00 0.00 33.50 32.15 2jop n PRO 31 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2jop n ASP 32 N -2.01 0.82 -4.74 3.54 9.92 -1.26 -4.95 116.55 117.87 2jop n ASP 32 Ca 0.03 0.32 -0.40 0.00 -0.53 0.00 0.00 54.79 54.20 2jop n ASP 32 Cb 0.23 0.48 -0.05 0.00 -0.64 0.00 0.00 41.12 41.14 2jop n ASP 32 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2jop s PHE 33 N -3.34 3.90 -0.19 1.24 5.36 -0.90 -5.04 117.98 119.02 2jop s PHE 33 Ca -0.01 1.84 -0.05 0.00 -0.96 0.00 0.00 56.93 57.76 2jop s PHE 33 Cb 0.10 -3.00 -0.02 0.00 -0.34 0.00 0.00 43.02 39.75 2jop s PHE 33 CO 0.80 0.34 -0.01 -0.65 -1.46 0.00 0.00 175.22 174.23 2jop s GLN 34 N -0.61 3.61 -0.01 10.12 -0.21 -1.25 -4.94 119.66 126.37 2jop s GLN 34 Ca 0.43 -0.53 -0.11 0.00 0.02 0.00 0.00 55.36 55.17 2jop s GLN 34 Cb -0.24 -3.02 0.01 0.00 1.00 0.00 0.00 33.01 30.76 2jop s GLN 34 CO 0.31 0.07 0.23 0.00 -2.12 0.00 0.00 175.29 173.77 2jop s ALA 35 N 0.84 -0.58 0.17 6.09 0.00 -1.26 -0.17 121.76 126.85 2jop s ALA 35 Ca 0.00 0.15 -0.16 0.00 0.00 0.00 0.00 51.96 51.95 2jop s ALA 35 Cb -0.14 0.06 0.06 0.00 0.00 0.00 0.00 23.12 23.10 2jop s ALA 35 CO 0.02 -0.23 0.78 2.89 0.00 0.00 0.00 175.76 179.22 2jop n ARG 36 N 1.44 0.57 -4.22 0.00 1.85 -0.66 -4.74 116.66 110.90 2jop n ARG 36 Ca -0.22 -1.25 -0.35 0.00 -1.00 0.00 0.00 57.85 55.04 2jop n ARG 36 Cb 0.56 1.66 -0.09 0.00 -1.05 0.00 0.00 32.46 33.54 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 3.74 0.00 2.89 1.43 -1.26 -0.25 118.68 125.23 2jop s LEU 37 Ca 0.17 0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.47 2jop s LEU 37 Cb -0.02 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 2jop s LEU 37 CO 0.05 0.33 0.13 0.35 0.23 0.00 0.00 176.35 177.44 2jop n THR 38 N 2.50 0.00 -2.07 5.49 -2.24 0.56 -4.66 114.28 113.87 2jop n THR 38 Ca -0.18 -1.21 -0.18 0.00 -2.27 0.00 0.00 64.05 60.21 2jop n THR 38 Cb 0.53 0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 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 -0.34 -1.40 -3.98 -0.78 5.12 -1.26 -1.71 116.66 112.32 2jop n ARG 39 Ca 0.03 0.98 -0.12 0.00 -1.93 0.00 0.00 57.85 56.80 2jop n ARG 39 Cb 0.30 -5.41 -0.02 0.00 -1.16 0.00 0.00 32.46 26.17 2jop n ARG 39 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2jop s SER 40 N -2.39 0.51 0.02 0.55 0.15 -1.26 -4.79 113.70 106.49 2jop s SER 40 Ca 0.00 -1.31 0.22 0.00 0.70 0.00 0.00 55.95 55.56 2jop s SER 40 Cb 0.00 0.73 -0.21 0.00 -1.71 0.00 0.00 66.02 64.83 2jop s SER 40 CO 0.00 -1.43 0.71 -3.20 1.20 0.00 0.00 173.24 170.51 2jop n ASN 41 N -1.33 0.35 -4.46 5.45 4.05 -1.26 -4.90 115.26 113.16 2jop n ASN 41 Ca -0.03 -0.11 -0.34 0.00 0.45 0.00 0.00 54.58 54.55 2jop n ASN 41 Cb 0.61 1.44 -0.12 0.00 1.23 0.00 0.00 39.78 42.93 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 -4.36 4.74 0.00 1.20 0.15 -1.25 -4.94 113.70 109.23 2jop s SER 42 Ca -0.03 -0.18 0.21 0.00 0.70 0.00 0.00 55.95 56.65 2jop s SER 42 Cb 0.14 -1.79 1.01 0.00 -1.71 0.00 0.00 66.02 63.67 2jop s SER 42 CO 0.87 0.12 1.67 2.29 1.20 0.00 0.00 173.24 179.38 2jop n LYS 43 N 3.87 0.21 -0.01 5.44 2.85 -1.26 -2.45 118.16 126.80 2jop n LYS 43 Ca -0.17 0.11 0.04 0.00 -1.05 0.00 0.00 58.31 57.24 2jop n LYS 43 Cb 0.52 -1.50 0.04 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 -0.74 0.25 0.00 0.00 -0.21 -1.03 0.06 119.66 117.99 2jop s GLN 45 Ca 0.11 0.84 0.00 0.00 0.02 0.00 0.00 55.36 56.33 2jop s GLN 45 Cb 0.07 0.10 0.00 0.00 1.00 0.00 0.00 33.01 34.18 2jop s GLN 45 CO 0.11 -0.24 0.00 0.41 -2.12 0.00 0.00 175.29 173.45 2jop n GLY 46 N 5.10 -0.74 3.77 3.09 0.00 -1.08 -3.76 105.19 111.56 2jop n GLY 46 Ca -0.11 -1.26 -0.39 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 4.45 -0.34 1.61 1.11 -0.69 -3.84 119.66 119.96 2jop s GLN 47 Ca 0.00 1.64 -0.29 0.00 0.01 0.00 0.00 55.36 56.72 2jop s GLN 47 Cb 0.00 -2.90 0.02 0.00 -1.01 0.00 0.00 33.01 29.11 2jop s GLN 47 CO 0.00 0.08 1.07 -1.17 0.01 0.00 0.00 175.29 175.28 2jop s LEU 48 N -1.96 3.90 -0.28 2.90 2.96 -1.26 -0.32 118.68 124.62 2jop s LEU 48 Ca 0.50 0.96 -0.06 0.00 -0.22 0.00 0.00 54.13 55.31 2jop s LEU 48 Cb -0.27 -3.52 0.01 0.00 0.50 0.00 0.00 46.19 42.90 2jop s LEU 48 CO 0.34 -0.92 0.05 -0.70 -1.32 0.00 0.00 176.35 173.80 2jop s GLU 49 N 3.73 3.13 -0.08 1.98 2.12 0.66 -0.34 118.70 129.89 2jop s GLU 49 Ca 0.45 -0.82 0.03 0.00 0.36 0.00 0.00 54.97 55.00 2jop s GLU 49 Cb -0.12 -3.28 -0.02 0.00 0.26 0.00 0.00 34.13 30.98 2jop s GLU 49 CO 0.17 -0.39 -0.17 0.08 -0.54 0.00 0.00 175.26 174.41 2jop s VAL 50 N 1.48 2.74 -0.48 3.70 1.01 -0.37 -1.66 120.40 126.82 2jop s VAL 50 Ca 0.03 -0.81 -0.16 0.00 0.00 0.00 0.00 61.98 61.04 2jop s VAL 50 Cb -0.17 -2.08 0.08 0.00 0.00 0.00 0.00 36.38 34.21 2jop s VAL 50 CO 0.01 0.56 0.43 -0.47 0.00 0.00 0.00 175.10 175.64 2jop s TYR 51 N -0.19 3.22 -0.63 5.22 5.04 0.76 -0.06 117.35 130.71 2jop s TYR 51 Ca -0.01 -0.91 -0.08 0.00 -2.44 0.00 0.00 57.07 53.63 2jop s TYR 51 Cb -0.13 -3.27 0.16 0.00 0.35 0.00 0.00 41.96 39.07 2jop s TYR 51 CO 0.03 -0.85 0.50 -0.48 -1.34 0.00 0.00 175.55 173.42 2jop s LEU 52 N 1.77 5.81 0.00 6.97 2.34 -0.50 -3.93 118.68 131.14 2jop s LEU 52 Ca 0.05 -2.51 0.00 0.00 0.06 0.00 0.00 54.13 51.74 2jop s LEU 52 Cb -0.24 -2.00 0.00 0.00 -0.56 0.00 0.00 46.19 43.39 2jop s LEU 52 CO 0.07 -0.53 0.00 2.29 -1.06 0.00 0.00 176.35 177.12 2jop n LYS 53 N 4.08 0.00 0.00 1.48 2.85 -1.26 -1.94 118.16 123.37 2jop n LYS 53 Ca 0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.30 2jop n LYS 53 Cb 0.41 -0.34 0.00 0.00 -0.65 0.00 0.00 35.03 34.45 2jop n LYS 53 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2jop n ASP 54 N 0.00 0.00 -4.37 -5.58 5.68 -1.26 -5.06 116.55 105.96 2jop n ASP 54 Ca 0.00 0.00 -0.41 0.00 -0.50 0.00 0.00 54.79 53.88 2jop n ASP 54 Cb 0.00 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 39.87 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 -0.42 1.94 -1.23 6.12 0.00 -0.82 -4.97 107.32 107.94 2jop s GLY 55 Ca 0.00 -1.75 -0.20 0.00 0.00 0.00 0.00 44.72 42.77 2jop s GLY 55 CO 0.00 0.86 1.87 0.79 0.00 0.00 0.00 173.10 176.62 2jop n TRP 56 N 5.00 3.57 -2.94 1.90 7.02 -1.25 -1.41 117.44 129.33 2jop n TRP 56 Ca -0.12 -2.20 -0.43 0.00 -1.02 0.00 0.00 57.50 53.73 2jop n TRP 56 Cb 0.46 -2.56 -0.05 0.00 -2.42 0.00 0.00 31.31 26.74 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 7.03 2.96 -0.55 -5.99 3.76 0.91 -4.77 115.29 118.65 2jop s HIS 57 Ca 0.60 0.14 -0.27 0.00 -0.15 0.00 0.00 55.06 55.37 2jop s HIS 57 Cb 0.04 -3.73 -0.00 0.00 1.11 0.00 0.00 32.58 29.99 2jop s HIS 57 CO 0.09 -1.04 1.65 -1.64 -0.85 0.00 0.00 174.74 172.95 2jop s MET 58 N 3.39 3.04 0.32 1.40 -1.94 -1.26 -1.23 119.30 123.02 2jop s MET 58 Ca 0.30 0.66 -0.12 0.00 -1.71 0.00 0.00 55.69 54.82 2jop s MET 58 Cb -0.12 -4.24 -0.08 0.00 2.01 0.00 0.00 34.83 32.40 2jop s MET 58 CO 0.22 -2.24 0.70 0.14 -0.01 0.00 0.00 175.02 173.83 2jop s VAL 59 N 7.37 4.78 -0.96 -6.03 -7.23 0.54 -0.23 120.40 118.64 2jop s VAL 59 Ca 0.62 0.71 0.01 0.00 -1.81 0.00 0.00 61.98 61.51 2jop s VAL 59 Cb -0.13 -3.65 0.06 0.00 0.56 0.00 0.00 36.38 33.22 2jop s VAL 59 CO 0.24 -0.26 0.60 0.00 -0.31 0.00 0.00 175.10 175.37 2jop n SER 61 N 0.04 0.00 -0.41 0.00 2.88 -1.26 -4.16 113.62 110.70 2jop n SER 61 Ca 0.02 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.57 2jop n SER 61 Cb 0.32 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.81 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 0.00 1.24 -0.59 -1.46 10.64 -1.26 -4.79 117.38 121.16 2jop n GLN 62 Ca 0.00 -0.23 -0.29 0.00 -1.83 0.00 0.00 57.00 54.65 2jop n GLN 62 Cb 0.00 -1.36 0.26 0.00 -0.86 0.00 0.00 30.24 28.28 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 -0.43 0.66 0.00 2.61 0.01 -1.26 -2.99 113.70 112.31 2jop s SER 63 Ca 0.04 1.31 0.00 0.00 1.31 0.00 0.00 55.95 58.61 2jop s SER 63 Cb 0.03 -2.02 0.00 0.00 0.21 0.00 0.00 66.02 64.24 2jop s SER 63 CO 0.02 -4.37 0.00 0.79 0.41 0.00 0.00 173.24 170.09 2jop n TRP 64 N -5.01 0.00 0.00 2.43 8.01 0.11 -3.43 117.44 119.55 2jop n TRP 64 Ca 0.05 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.24 2jop n TRP 64 Cb 0.56 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.86 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 -1.83 3.23 6.99 0.00 -1.26 -4.29 105.19 108.04 2jop n GLY 65 Ca 0.00 0.88 -0.24 0.00 0.00 0.00 0.00 46.02 46.66 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 0.00 1.19 -0.31 1.61 1.81 -1.16 -5.00 118.95 117.09 2jop s ARG 66 Ca 0.00 -0.97 -0.12 0.00 -1.72 0.00 0.00 55.73 52.93 2jop s ARG 66 Cb 0.00 -1.32 0.19 0.00 -0.45 0.00 0.00 34.95 33.36 2jop s ARG 66 CO 0.00 0.33 1.08 0.45 -0.68 0.00 0.00 175.30 176.48 2jop s SER 67 N -1.40 -0.27 -0.15 0.23 0.15 -1.26 -4.56 113.70 106.44 2jop s SER 67 Ca 0.05 -0.05 -0.06 0.00 0.70 0.00 0.00 55.95 56.59 2jop s SER 67 Cb -0.09 0.75 -0.04 0.00 -1.71 0.00 0.00 66.02 64.93 2jop s SER 67 CO 0.02 -0.04 0.08 -0.44 1.20 0.00 0.00 173.24 174.06 2jop s SER 68 N 2.46 5.80 -0.76 5.45 0.01 -1.26 -5.05 113.70 120.35 2jop s SER 68 Ca 0.22 0.21 -0.25 0.00 1.31 0.00 0.00 55.95 57.44 2jop s SER 68 Cb 0.01 -1.90 0.05 0.00 0.21 0.00 0.00 66.02 64.39 2jop s SER 68 CO -0.19 0.28 1.19 -0.75 0.41 0.00 0.00 173.24 174.18 2jop s LYS 69 N -0.25 3.23 0.00 12.44 2.47 -1.26 -4.65 119.74 131.73 2jop s LYS 69 Ca 0.09 -0.63 0.00 0.00 -1.56 0.00 0.00 55.97 53.87 2jop s LYS 69 Cb -0.12 -4.38 0.00 0.00 -1.46 0.00 0.00 37.83 31.88 2jop s LYS 69 CO 0.01 -2.03 0.00 1.04 0.16 0.00 0.00 175.35 174.54 2jop n GLN 70 N 8.61 0.00 0.00 4.03 6.02 -1.26 -3.91 117.38 130.87 2jop n GLN 70 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 2jop n GLN 70 Cb 0.48 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.74 2jop n GLN 70 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2jop n TRP 71 N 0.00 0.00 0.00 1.08 7.02 -1.26 -4.56 117.44 119.72 2jop n TRP 71 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2jop n TRP 71 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 2jop n TRP 71 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 2jop n GLU 72 N -0.50 0.00 -2.75 -0.99 1.02 -1.25 -3.21 120.64 112.96 2jop n GLU 72 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 2jop n GLU 72 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.44 2jop n GLU 72 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2jop n ASP 73 N 0.20 -3.11 -2.05 1.62 -0.08 -1.26 -5.04 116.55 106.83 2jop n ASP 73 Ca 0.00 -2.82 -0.21 0.00 -1.51 0.00 0.00 54.79 50.25 2jop n ASP 73 Cb 0.00 1.66 0.13 0.00 2.34 0.00 0.00 41.12 45.26 2jop n ASP 73 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2jop n PRO 74 N 2.57 2.10 0.00 -0.67 -0.04 -1.20 -4.73 135.00 133.03 2jop n PRO 74 Ca 0.15 -2.53 0.00 0.00 -0.04 0.00 0.00 63.50 61.08 2jop n PRO 74 Cb 0.59 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 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 -0.80 0.00 0.00 3.54 2.88 -1.26 -4.09 113.62 113.89 2jop n SER 75 Ca 0.50 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 2jop n SER 75 Cb 1.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.79 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 -1.15 -1.46 3.00 -1.26 -4.21 117.38 112.30 2jop n GLN 76 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.79 2jop n GLN 76 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.22 2jop n GLN 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jop n ALA 77 N 2.99 5.75 -0.26 -1.58 0.00 -1.26 -4.54 120.51 121.62 2jop n ALA 77 Ca 0.00 -2.22 0.05 0.00 0.00 0.00 0.00 53.44 51.27 2jop n ALA 77 Cb 0.00 -1.76 0.29 0.00 0.00 0.00 0.00 19.45 17.98 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 2.22 0.80 -0.43 0.00 0.87 -1.83 -1.89 113.55 113.30 2jop h SER 78 Ca 0.32 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.80 2jop h SER 78 Cb 0.88 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.65 2jop h SER 78 CO 0.75 0.51 -0.05 0.50 -0.53 0.00 0.00 176.83 178.01 2jop h LYS 79 N 0.90 0.86 -0.18 2.24 1.63 -1.81 -2.09 116.57 118.12 2jop h LYS 79 Ca 0.37 -0.27 -0.20 0.00 -0.85 0.00 0.00 60.65 59.70 2jop h LYS 79 Cb 0.26 -0.08 0.01 0.00 -0.60 0.00 0.00 32.23 31.82 2jop h LYS 79 CO -0.14 0.89 -0.65 -0.39 -3.45 0.00 0.00 179.45 175.71 2jop h VAL 80 N 0.78 1.29 0.00 2.00 -1.51 -1.60 -1.29 116.25 115.93 2jop h VAL 80 Ca 0.14 -1.86 -0.14 0.00 -1.23 0.00 0.00 66.70 63.61 2jop h VAL 80 Cb 0.55 1.92 -0.02 0.00 -2.13 0.00 0.00 31.29 31.60 2jop h VAL 80 CO 0.03 0.59 -0.66 0.00 -1.23 0.00 0.00 177.57 176.30 2jop h GLN 82 N 0.00 0.66 0.00 0.00 4.15 -1.21 0.12 115.11 118.83 2jop h GLN 82 Ca -0.01 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 2jop h GLN 82 Cb 1.21 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 2jop h GLN 82 CO 0.09 0.51 -0.21 0.00 -1.93 0.00 0.00 178.83 177.29 2jop h ARG 83 N 0.63 0.00 -0.68 1.69 3.08 -1.01 -1.36 114.38 116.74 2jop h ARG 83 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2jop h ARG 83 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2jop h ARG 83 CO -0.03 0.21 0.00 1.28 -1.07 0.00 0.00 179.97 180.36 2jop n LEU 84 N -3.59 3.10 -3.98 3.04 7.99 -0.49 -4.92 117.00 118.16 2jop n LEU 84 Ca -0.01 -1.57 -0.32 0.00 -0.01 0.00 0.00 56.01 54.10 2jop n LEU 84 Cb 0.35 -0.51 0.01 0.00 -0.11 0.00 0.00 43.42 43.16 2jop n LEU 84 CO 0.33 0.47 -0.12 -0.46 -1.51 0.00 0.00 177.39 176.09 2jop n ASN 85 N 0.41 -2.73 0.00 -1.43 6.94 -0.51 -4.84 115.26 113.10 2jop n ASN 85 Ca 0.14 -0.90 0.00 0.00 -0.02 0.00 0.00 54.58 53.80 2jop n ASN 85 Cb 0.64 -1.07 0.00 0.00 -2.36 0.00 0.00 39.78 36.98 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 -0.35 2.01 3.86 0.00 0.00 -1.24 -4.39 105.19 105.08 2jop n GLY 87 Ca 0.00 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 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 4.08 0.48 1.61 1.11 -1.26 -3.09 116.67 115.60 2jop s ASP 88 Ca 0.00 0.82 -0.21 0.00 0.18 0.00 0.00 52.55 53.34 2jop s ASP 88 Cb 0.00 -1.31 -0.09 0.00 1.07 0.00 0.00 42.92 42.59 2jop s ASP 88 CO 0.00 -2.18 1.04 -2.16 1.18 0.00 0.00 175.17 173.05 2jop s PRO 89 N -5.49 3.84 -0.45 8.23 0.04 -1.26 -0.57 135.00 139.33 2jop s PRO 89 Ca 0.63 1.37 -0.40 0.00 0.04 0.00 0.00 61.00 62.65 2jop s PRO 89 Cb -0.12 -2.13 -0.17 0.00 0.04 0.00 0.00 34.50 32.12 2jop s PRO 89 CO 0.51 -0.40 1.83 1.47 0.04 0.00 0.00 177.00 180.45 2jop n LEU 90 N -0.88 0.74 -4.78 -3.56 -0.00 -1.24 -0.14 117.00 107.13 2jop n LEU 90 Ca 0.09 0.69 -0.34 0.00 -0.00 0.00 0.00 56.01 56.44 2jop n LEU 90 Cb 0.52 -0.80 -0.00 0.00 -0.00 0.00 0.00 43.42 43.14 2jop n LEU 90 CO 0.40 -0.70 0.75 -0.55 -0.00 0.00 0.00 177.39 177.29 2jop s SER 91 N 4.92 5.81 -0.03 1.45 0.15 0.27 -4.35 113.70 121.92 2jop s SER 91 Ca 1.05 2.05 -0.14 0.00 0.70 0.00 0.00 55.95 59.61 2jop s SER 91 Cb -1.34 -2.57 -0.05 0.00 -1.71 0.00 0.00 66.02 60.35 2jop s SER 91 CO 0.61 -1.15 0.37 -0.76 1.20 0.00 0.00 173.24 173.51 2jop s LEU 92 N -3.93 4.45 0.00 3.45 1.43 -1.26 -1.83 118.68 120.99 2jop s LEU 92 Ca 0.70 0.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.67 2jop s LEU 92 Cb -0.21 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.50 2jop s LEU 92 CO 0.28 0.31 0.00 0.61 0.23 0.00 0.00 176.35 177.78 2jop n GLY 93 N 1.97 3.48 3.68 -3.19 0.00 -0.72 -4.45 105.19 105.96 2jop n GLY 93 Ca -0.14 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.89 2.69 -3.99 1.61 -0.04 -1.26 -0.30 135.00 132.82 2jop n PRO 94 Ca 0.00 0.98 -0.31 0.00 -0.04 0.00 0.00 63.50 64.13 2jop n PRO 94 Cb 0.00 -2.87 -0.15 0.00 -0.04 0.00 0.00 33.50 30.44 2jop n PRO 94 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2jop s PHE 95 N 2.93 3.32 0.00 0.54 5.36 0.46 -4.69 117.98 125.91 2jop s PHE 95 Ca 0.84 -2.64 0.00 0.00 -0.96 0.00 0.00 56.93 54.17 2jop s PHE 95 Cb -0.51 -2.51 0.00 0.00 -0.34 0.00 0.00 43.02 39.66 2jop s PHE 95 CO 0.39 -0.92 0.00 1.28 -1.46 0.00 0.00 175.22 174.52 2jop n LEU 96 N 4.39 0.00 -3.33 6.12 4.77 -1.26 -4.69 117.00 122.99 2jop n LEU 96 Ca -0.01 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.86 2jop n LEU 96 Cb 0.42 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.44 2jop n LEU 96 CO 0.20 -0.26 -0.10 -0.75 -1.33 0.00 0.00 177.39 175.15 2jop s LYS 97 N 0.00 0.38 0.00 3.23 2.47 -1.26 -4.76 119.74 119.81 2jop s LYS 97 Ca 0.00 0.08 0.00 0.00 -1.56 0.00 0.00 55.97 54.49 2jop s LYS 97 Cb 0.00 -0.42 0.00 0.00 -1.46 0.00 0.00 37.83 35.95 2jop s LYS 97 CO 0.00 -1.01 0.00 0.25 0.16 0.00 0.00 175.35 174.75 2jop n THR 98 N 5.34 0.00 -0.97 3.43 -2.24 -1.26 -5.15 114.28 113.43 2jop n THR 98 Ca -0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 2jop n THR 98 Cb 0.49 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.66 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 0.00 -2.58 -3.69 4.78 4.01 -1.26 -5.01 117.16 113.41 2jop n TYR 99 Ca 0.00 1.40 -0.12 0.00 -0.16 0.00 0.00 57.90 59.02 2jop n TYR 99 Cb 0.00 -2.35 -0.13 0.00 -0.31 0.00 0.00 39.34 36.56 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 -3.55 -0.28 -0.41 -0.72 2.01 -1.26 -5.00 115.64 106.43 2jop s THR 100 Ca 0.00 0.21 -0.04 0.00 0.31 0.00 0.00 61.69 62.17 2jop s THR 100 Cb 0.00 -0.46 -0.09 0.00 0.01 0.00 0.00 72.50 71.96 2jop s THR 100 CO 0.00 0.09 2.04 -2.65 -0.69 0.00 0.00 174.62 173.41 2jop n PRO 101 N 4.89 1.44 0.08 4.92 -0.02 -1.26 -0.20 135.00 144.84 2jop n PRO 101 Ca -0.14 -0.93 0.00 0.00 -2.02 0.00 0.00 63.50 60.41 2jop n PRO 101 Cb 0.51 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 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 3.50 0.00 -0.03 -0.52 -0.06 -1.26 -4.85 117.38 114.17 2jop n GLN 102 Ca 0.31 0.00 -0.16 0.00 -2.00 0.00 0.00 57.00 55.14 2jop n GLN 102 Cb 0.29 0.00 -0.14 0.00 -4.06 0.00 0.00 30.24 26.33 2jop n GLN 102 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 2jop n SER 103 N -2.79 1.57 -4.93 1.69 3.41 -1.08 -4.92 113.62 106.56 2jop n SER 103 Ca 0.00 0.22 -0.25 0.00 -0.26 0.00 0.00 58.87 58.58 2jop n SER 103 Cb 0.00 -0.43 0.02 0.00 -0.26 0.00 0.00 64.21 63.54 2jop n SER 103 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2jop s SER 104 N -6.58 5.76 0.31 4.04 0.01 0.72 -4.13 113.70 113.83 2jop s SER 104 Ca -0.17 0.52 -0.00 0.00 1.31 0.00 0.00 55.95 57.60 2jop s SER 104 Cb 0.07 -1.66 -0.01 0.00 0.21 0.00 0.00 66.02 64.63 2jop s SER 104 CO 0.77 -0.85 0.37 0.27 0.41 0.00 0.00 173.24 174.21 2jop s ILE 105 N -2.75 0.00 -0.27 1.44 -5.25 0.68 -4.28 121.20 110.76 2jop s ILE 105 Ca 0.51 -1.75 -0.00 0.00 -0.99 0.00 0.00 60.65 58.41 2jop s ILE 105 Cb -0.10 -2.54 0.08 0.00 2.95 0.00 0.00 42.46 42.85 2jop s ILE 105 CO 0.41 0.00 0.04 -0.63 -1.79 0.00 0.00 174.94 172.98 2jop s ILE 106 N -3.42 1.13 0.66 8.37 1.01 -0.21 -2.76 121.20 125.98 2jop s ILE 106 Ca 0.34 -1.30 -0.08 0.00 0.00 0.00 0.00 60.65 59.61 2jop s ILE 106 Cb 0.01 -1.69 0.02 0.00 0.01 0.00 0.00 42.46 40.82 2jop s ILE 106 CO 0.20 -0.43 1.00 0.00 0.00 0.00 0.00 174.94 175.71 2jop s TYR 108 N -3.18 1.56 0.00 0.00 2.02 -1.24 0.07 117.35 116.58 2jop s TYR 108 Ca 0.57 -1.57 0.00 0.00 -0.37 0.00 0.00 57.07 55.70 2jop s TYR 108 Cb -0.11 -0.50 0.00 0.00 -0.40 0.00 0.00 41.96 40.96 2jop s TYR 108 CO 0.47 -1.00 0.00 0.41 -1.57 0.00 0.00 175.55 173.87 2jop n GLY 109 N -0.63 0.51 3.53 0.71 0.00 -1.26 -4.68 105.19 103.36 2jop n GLY 109 Ca 0.05 -1.75 -0.34 0.00 0.00 0.00 0.00 46.02 43.99 2jop n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jop s GLN 110 N 0.00 3.75 -0.02 1.61 -1.52 -1.26 -4.66 119.66 117.55 2jop s GLN 110 Ca 0.00 -0.47 -0.36 0.00 -1.95 0.00 0.00 55.36 52.58 2jop s GLN 110 Cb 0.00 -3.04 -0.15 0.00 -0.22 0.00 0.00 33.01 29.60 2jop s GLN 110 CO 0.00 0.20 1.59 -0.11 -0.25 0.00 0.00 175.29 176.72 2jop n LEU 111 N 3.71 2.48 0.00 2.90 7.94 -1.26 -0.87 117.00 131.90 2jop n LEU 111 Ca -0.17 1.07 0.00 0.00 -1.11 0.00 0.00 56.01 55.80 2jop n LEU 111 Cb 0.52 -1.26 0.00 0.00 0.53 0.00 0.00 43.42 43.21 2jop n LEU 111 CO 0.33 -0.54 0.00 0.61 -1.11 0.00 0.00 177.39 176.68 2jop n GLY 112 N 3.49 0.58 2.57 -3.96 0.00 -1.26 -5.04 105.19 101.57 2jop n GLY 112 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.18 3.52 -0.20 1.61 0.01 -0.05 -4.35 113.70 112.06 2jop s SER 113 Ca 0.00 -1.63 0.00 0.00 1.31 0.00 0.00 55.95 55.63 2jop s SER 113 Cb 0.00 -0.50 0.19 0.00 0.21 0.00 0.00 66.02 65.92 2jop s SER 113 CO 0.00 -0.40 1.71 0.49 0.41 0.00 0.00 173.24 175.45 2jop n PHE 114 N 4.81 1.13 0.24 2.43 3.01 0.61 -4.47 117.46 125.21 2jop n PHE 114 Ca -0.00 -1.39 0.11 0.00 1.01 0.00 0.00 57.45 57.18 2jop n PHE 114 Cb 0.40 -0.69 0.54 0.00 -0.01 0.00 0.00 39.48 39.73 2jop n PHE 114 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2jop h SER 115 N 0.91 0.00 -5.03 4.37 0.87 -1.86 -3.45 113.55 109.37 2jop h SER 115 Ca 0.22 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.71 2jop h SER 115 Cb 1.26 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 63.06 2jop h SER 115 CO 0.49 0.18 -0.02 0.54 -0.53 0.00 0.00 176.83 177.49 2jop s ASN 116 N -6.12 -0.38 0.31 6.23 4.22 -1.26 -5.18 114.94 112.76 2jop s ASN 116 Ca -0.00 0.11 0.04 0.00 -2.14 0.00 0.00 52.86 50.86 2jop s ASN 116 Cb 0.11 0.46 -0.03 0.00 1.28 0.00 0.00 41.25 43.07 2jop s ASN 116 CO 0.61 -0.70 0.19 0.00 -2.04 0.00 0.00 177.10 175.17 2jop s SER 118 N -3.37 1.40 0.45 0.00 0.01 0.12 -4.82 113.70 107.49 2jop s SER 118 Ca 0.37 -1.28 -0.25 0.00 1.31 0.00 0.00 55.95 56.10 2jop s SER 118 Cb 0.04 0.10 -0.08 0.00 0.21 0.00 0.00 66.02 66.29 2jop s SER 118 CO 0.20 -0.62 1.41 -1.38 0.41 0.00 0.00 173.24 173.25 2jop s HIS 119 N -3.62 2.50 -0.64 2.43 -3.43 -1.26 -1.04 115.29 110.22 2jop s HIS 119 Ca 0.31 1.29 0.02 0.00 -0.80 0.00 0.00 55.06 55.88 2jop s HIS 119 Cb 0.07 -3.88 0.12 0.00 -1.43 0.00 0.00 32.58 27.46 2jop s HIS 119 CO 0.09 -2.81 0.83 -1.13 -2.00 0.00 0.00 174.74 169.72 2jop n SER 120 N -0.19 2.16 -0.25 7.38 3.41 -1.26 -3.66 113.62 121.21 2jop n SER 120 Ca 0.05 -2.18 0.12 0.00 -0.26 0.00 0.00 58.87 56.60 2jop n SER 120 Cb 0.42 -0.54 0.60 0.00 -0.26 0.00 0.00 64.21 64.43 2jop n SER 120 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jop n ARG 121 N 0.14 1.34 -2.68 4.33 1.74 -1.26 -4.65 116.66 115.62 2jop n ARG 121 Ca 0.06 -0.50 -0.31 0.00 -0.77 0.00 0.00 57.85 56.33 2jop n ARG 121 Cb 0.49 -1.41 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 2jop n ARG 121 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2jop s ASN 122 N -1.77 6.57 0.00 0.55 -0.87 -1.24 -5.01 114.94 113.16 2jop s ASN 122 Ca 0.36 1.30 0.03 0.00 -1.57 0.00 0.00 52.86 52.98 2jop s ASN 122 Cb 0.18 -2.40 0.06 0.00 -0.02 0.00 0.00 41.25 39.07 2jop s ASN 122 CO 0.29 -0.47 0.88 -0.90 -2.57 0.00 0.00 177.10 174.34 2jop n ASP 123 N -1.39 1.85 -0.32 -1.22 5.75 -1.26 -4.64 116.55 115.33 2jop n ASP 123 Ca 0.04 -1.66 -0.04 0.00 -0.01 0.00 0.00 54.79 53.12 2jop n ASP 123 Cb 0.54 -0.04 0.08 0.00 -1.03 0.00 0.00 41.12 40.67 2jop n ASP 123 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jop h MET 124 N 0.54 1.19 -4.96 0.11 -0.00 -1.98 -3.35 114.93 106.49 2jop h MET 124 Ca 0.00 -0.14 -0.68 0.00 -0.00 0.00 0.00 59.70 58.88 2jop h MET 124 Cb 0.39 -0.23 -0.18 0.00 -0.00 0.00 0.00 31.60 31.58 2jop h MET 124 CO 0.00 0.87 0.20 0.00 -0.00 0.00 0.00 176.91 177.98 2jop h HIS 126 N 9.21 -0.66 0.00 0.00 -0.00 -1.93 -3.45 115.15 118.33 2jop h HIS 126 Ca -0.29 -0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 59.98 2jop h HIS 126 Cb 1.09 0.22 -0.08 0.00 -0.00 0.00 0.00 27.41 28.63 2jop h HIS 126 CO 0.84 -0.41 -0.02 -1.13 -0.00 0.00 0.00 177.93 177.21 2jop n SER 127 N -4.48 -0.93 -4.68 2.45 3.41 -1.26 -4.81 113.62 103.31 2jop n SER 127 Ca -0.09 -1.64 -0.42 0.00 -0.26 0.00 0.00 58.87 56.46 2jop n SER 127 Cb 0.28 0.63 -0.03 0.00 -0.26 0.00 0.00 64.21 64.83 2jop n SER 127 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jop n LEU 128 N -0.55 4.12 -4.73 1.04 7.99 -1.26 -0.40 117.00 123.22 2jop n LEU 128 Ca -0.14 0.97 -0.27 0.00 -0.01 0.00 0.00 56.01 56.55 2jop n LEU 128 Cb 0.67 -1.55 -0.08 0.00 -0.11 0.00 0.00 43.42 42.35 2jop n LEU 128 CO -0.08 0.21 -0.19 -0.83 -1.51 0.00 0.00 177.39 174.99 2jop s GLY 129 N 3.14 2.53 0.01 -0.72 0.00 0.58 -4.16 107.32 108.71 2jop s GLY 129 Ca 0.83 -1.69 0.04 0.00 0.00 0.00 0.00 44.72 43.90 2jop s GLY 129 CO 0.38 -2.03 -0.12 1.08 0.00 0.00 0.00 173.10 172.41 2jop s LEU 130 N -3.89 2.10 -0.27 0.66 1.43 -1.25 -1.76 118.68 115.70 2jop s LEU 130 Ca 0.31 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 53.07 2jop s LEU 130 Cb 0.04 -0.58 0.13 0.00 0.03 0.00 0.00 46.19 45.82 2jop s LEU 130 CO 0.17 0.08 0.32 0.28 0.23 0.00 0.00 176.35 177.43 2jop s THR 131 N -0.58 -0.47 -0.36 5.49 -1.32 -0.76 -2.64 115.64 114.99 2jop s THR 131 Ca 0.02 -0.31 -0.39 0.00 -1.21 0.00 0.00 61.69 59.80 2jop s THR 131 Cb -0.06 -0.90 -0.15 0.00 -1.51 0.00 0.00 72.50 69.88 2jop s THR 131 CO 0.00 -0.32 1.99 0.00 -2.21 0.00 0.00 174.62 174.08 2jop n LEU 133 N 7.45 0.00 0.00 0.00 0.00 0.80 -4.61 117.00 120.64 2jop n LEU 133 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.39 2jop n LEU 133 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.54 2jop n LEU 133 CO 0.81 0.00 0.14 -1.84 0.00 0.00 0.00 177.39 176.50