#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jbi s ALA 2 N 0.00 -0.17 1.43 1.79 0.00 -1.26 -5.17 121.76 118.39 1jbi s ALA 2 Ca 0.00 -0.52 -0.24 0.00 0.00 0.00 0.00 51.96 51.20 1jbi s ALA 2 Cb 0.00 0.32 0.37 0.00 0.00 0.00 0.00 23.12 23.81 1jbi s ALA 2 CO 0.00 -0.39 0.94 -1.25 0.00 0.00 0.00 175.76 175.06 1jbi s PRO 3 N -3.01 -3.02 -0.31 0.00 0.04 -1.26 -5.00 135.00 122.43 1jbi s PRO 3 Ca -0.02 0.03 -0.07 0.00 0.04 0.00 0.00 61.00 60.98 1jbi s PRO 3 Cb 0.01 -1.38 0.01 0.00 0.04 0.00 0.00 34.50 33.19 1jbi s PRO 3 CO -0.06 -4.91 0.10 0.42 0.04 0.00 0.00 177.00 172.58 1jbi s ILE 4 N -2.34 4.03 -0.52 0.56 1.09 -0.06 -4.92 121.20 119.04 1jbi s ILE 4 Ca 0.69 -0.74 -0.26 0.00 -1.10 0.00 0.00 60.65 59.24 1jbi s ILE 4 Cb -0.11 -3.11 0.03 0.00 -1.06 0.00 0.00 42.46 38.21 1jbi s ILE 4 CO 0.57 0.03 1.03 0.00 -0.10 0.00 0.00 174.94 176.47 1jbi s ALA 5 N 1.50 3.14 0.45 9.38 0.00 -1.26 -0.86 121.76 134.11 1jbi s ALA 5 Ca 0.02 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.19 1jbi s ALA 5 Cb -0.18 -3.81 0.02 0.00 0.00 0.00 0.00 23.12 19.15 1jbi s ALA 5 CO 0.03 -2.33 0.61 0.96 0.00 0.00 0.00 175.76 175.04 1jbi s ILE 6 N 4.22 2.91 -1.36 0.00 -5.25 -0.55 -4.93 121.20 116.25 1jbi s ILE 6 Ca 0.39 -0.94 0.12 0.00 -0.99 0.00 0.00 60.65 59.23 1jbi s ILE 6 Cb -0.10 -2.98 0.45 0.00 2.95 0.00 0.00 42.46 42.79 1jbi s ILE 6 CO 0.25 0.00 1.31 1.07 -1.79 0.00 0.00 174.94 175.79 1jbi n THR 7 N -1.95 1.10 -1.16 8.37 5.66 -1.26 -4.35 114.28 120.68 1jbi n THR 7 Ca 0.08 -0.73 -0.09 0.00 -3.05 0.00 0.00 64.05 60.26 1jbi n THR 7 Cb 0.59 0.01 -0.04 0.00 -1.55 0.00 0.00 70.33 69.35 1jbi n THR 7 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jbi n PHE 9 N -1.77 0.00 -2.04 0.00 7.35 -1.26 -4.78 117.46 114.96 1jbi n PHE 9 Ca -0.09 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.19 1jbi n PHE 9 Cb 0.44 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.25 1jbi n PHE 9 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1jbi s THR 10 N -0.38 2.68 0.44 -2.13 2.01 -1.26 -4.91 115.64 112.08 1jbi s THR 10 Ca 0.00 0.59 0.08 0.00 0.31 0.00 0.00 61.69 62.67 1jbi s THR 10 Cb 0.00 -3.38 -0.00 0.00 0.01 0.00 0.00 72.50 69.13 1jbi s THR 10 CO 0.00 0.11 0.43 -0.13 -0.69 0.00 0.00 174.62 174.34 1jbi s ARG 11 N -0.73 2.51 0.38 4.92 0.52 -1.26 -1.18 118.95 124.12 1jbi s ARG 11 Ca 0.57 -1.57 0.27 0.00 -0.52 0.00 0.00 55.73 54.48 1jbi s ARG 11 Cb -0.41 -2.40 1.33 0.00 0.52 0.00 0.00 34.95 33.99 1jbi s ARG 11 CO 0.46 -0.30 1.82 0.78 0.02 0.00 0.00 175.30 178.08 1jbi h GLY 12 N 0.89 0.00 1.40 -3.53 0.00 0.19 -0.84 103.07 101.19 1jbi h GLY 12 Ca -0.40 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.81 1jbi h GLY 12 CO 0.55 0.00 -0.31 1.41 0.00 0.00 0.00 176.54 178.19 1jbi h LEU 13 N 0.00 0.70 -0.06 3.11 3.38 -1.25 -3.27 115.31 117.91 1jbi h LEU 13 Ca 0.00 -0.28 -0.25 0.00 0.09 0.00 0.00 57.88 57.44 1jbi h LEU 13 Cb 0.15 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.72 1jbi h LEU 13 CO 0.00 0.96 -1.02 0.44 0.09 0.00 0.00 178.44 178.91 1jbi h ASP 14 N 0.58 0.73 -3.79 -0.43 3.32 -1.45 -3.41 116.42 111.97 1jbi h ASP 14 Ca 0.07 -0.60 -0.63 0.00 0.02 0.00 0.00 57.03 55.89 1jbi h ASP 14 Cb 0.81 -0.22 -0.40 0.00 0.22 0.00 0.00 39.33 39.73 1jbi h ASP 14 CO 0.07 1.40 -0.70 -0.63 -1.72 0.00 0.00 179.24 177.66 1jbi s ILE 15 N -3.25 1.95 -0.34 0.35 1.01 -1.18 -4.97 121.20 114.77 1jbi s ILE 15 Ca -0.08 -2.58 0.08 0.00 0.00 0.00 0.00 60.65 58.07 1jbi s ILE 15 Cb 0.08 -2.40 0.57 0.00 0.01 0.00 0.00 42.46 40.72 1jbi s ILE 15 CO 0.90 -0.75 1.62 0.54 0.00 0.00 0.00 174.94 177.24 1jbi n ARG 16 N 3.79 2.08 -1.46 2.79 1.74 -1.25 -4.78 116.66 119.56 1jbi n ARG 16 Ca 0.05 -3.12 -0.31 0.00 -0.77 0.00 0.00 57.85 53.70 1jbi n ARG 16 Cb 0.37 -1.95 0.08 0.00 -1.02 0.00 0.00 32.46 29.94 1jbi n ARG 16 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1jbi s LYS 17 N -3.24 2.36 0.24 5.56 3.01 -1.26 -4.93 119.74 121.48 1jbi s LYS 17 Ca 0.49 0.88 -0.07 0.00 -1.01 0.00 0.00 55.97 56.26 1jbi s LYS 17 Cb 0.43 -1.93 0.44 0.00 -1.01 0.00 0.00 37.83 35.76 1jbi s LYS 17 CO 0.04 -1.49 1.64 1.49 0.51 0.00 0.00 175.35 177.54 1jbi h GLU 18 N -1.00 0.12 -2.86 1.68 4.81 -1.95 -3.35 114.58 112.03 1jbi h GLU 18 Ca -0.45 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 58.66 1jbi h GLU 18 Cb 1.24 -0.03 -0.21 0.00 0.63 0.00 0.00 28.75 30.38 1jbi h GLU 18 CO 0.56 0.08 -0.22 -1.59 -0.73 0.00 0.00 179.01 177.11 1jbi s LYS 19 N -6.11 0.66 -0.18 1.92 0.00 -1.26 -0.82 119.74 113.95 1jbi s LYS 19 Ca -0.13 0.04 -0.08 0.00 0.00 0.00 0.00 55.97 55.79 1jbi s LYS 19 Cb 0.22 0.30 0.07 0.00 0.00 0.00 0.00 37.83 38.42 1jbi s LYS 19 CO 0.75 -0.17 0.41 0.00 0.00 0.00 0.00 175.35 176.34 1jbi s ALA 20 N -0.94 -1.07 -0.14 0.59 0.00 -0.11 -4.98 121.76 115.11 1jbi s ALA 20 Ca -0.10 1.51 -0.16 0.00 0.00 0.00 0.00 51.96 53.21 1jbi s ALA 20 Cb -0.04 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 1jbi s ALA 20 CO 0.04 -0.45 0.39 -0.51 0.00 0.00 0.00 175.76 175.23 1jbi s ASP 21 N 1.85 6.56 0.10 0.00 1.11 -1.26 -0.33 116.67 124.70 1jbi s ASP 21 Ca -0.07 0.66 0.08 0.00 0.18 0.00 0.00 52.55 53.41 1jbi s ASP 21 Cb -0.10 -2.24 -0.03 0.00 1.07 0.00 0.00 42.92 41.62 1jbi s ASP 21 CO -0.13 0.04 -0.21 0.68 1.18 0.00 0.00 175.17 176.73 1jbi s VAL 22 N 0.58 1.74 -0.18 -1.27 -7.23 0.56 -0.88 120.40 113.72 1jbi s VAL 22 Ca 0.21 -1.52 -0.02 0.00 -1.81 0.00 0.00 61.98 58.84 1jbi s VAL 22 Cb -0.14 -1.57 -0.01 0.00 0.56 0.00 0.00 36.38 35.22 1jbi s VAL 22 CO 0.07 -0.02 -0.09 -0.76 -0.31 0.00 0.00 175.10 173.98 1jbi s LEU 23 N -1.84 2.75 -0.50 1.32 2.01 -0.04 -0.18 118.68 122.20 1jbi s LEU 23 Ca 0.07 -0.39 -0.14 0.00 0.01 0.00 0.00 54.13 53.68 1jbi s LEU 23 Cb -0.10 -1.66 0.10 0.00 0.01 0.00 0.00 46.19 44.54 1jbi s LEU 23 CO 0.04 0.06 0.42 0.00 1.01 0.00 0.00 176.35 177.88 1jbi s PRO 25 N 1.56 3.49 0.13 0.00 0.04 -1.26 -0.86 135.00 138.09 1jbi s PRO 25 Ca 0.04 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.11 1jbi s PRO 25 Cb -0.27 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1jbi s PRO 25 CO 0.04 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 176.82 1jbi n GLY 26 N -1.55 -1.82 0.00 0.56 0.00 -1.26 -4.51 105.19 96.62 1jbi n GLY 26 Ca 0.08 -1.40 0.11 0.00 0.00 0.00 0.00 46.02 44.81 1jbi n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jbi n GLY 27 N -2.54 -0.85 2.54 -0.02 0.00 -1.24 -3.40 105.19 99.69 1jbi n GLY 27 Ca -0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 1jbi n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jbi s PRO 29 N -2.06 2.05 -1.37 0.00 0.04 -1.26 -4.77 135.00 127.63 1jbi s PRO 29 Ca 0.10 1.19 -0.11 0.00 0.04 0.00 0.00 61.00 62.22 1jbi s PRO 29 Cb -0.01 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 1jbi s PRO 29 CO 0.40 -1.79 2.51 1.28 0.04 0.00 0.00 177.00 179.44 1jbi n LEU 30 N -3.63 7.12 0.12 -3.56 4.32 -1.26 -4.45 117.00 115.66 1jbi n LEU 30 Ca 0.09 -3.90 -0.24 0.00 -0.02 0.00 0.00 56.01 51.94 1jbi n LEU 30 Cb 0.53 -1.46 -0.15 0.00 -1.62 0.00 0.00 43.42 40.72 1jbi n LEU 30 CO 0.53 1.32 -0.16 -0.08 -1.22 0.00 0.00 177.39 177.78 1jbi h GLU 31 N 5.79 0.56 -1.77 3.23 4.81 -2.00 -3.42 114.58 121.78 1jbi h GLU 31 Ca 0.68 -0.87 -0.32 0.00 -0.13 0.00 0.00 59.36 58.72 1jbi h GLU 31 Cb 0.39 0.31 -0.29 0.00 0.63 0.00 0.00 28.75 29.80 1jbi h GLU 31 CO 1.77 1.41 -0.66 -1.21 -0.73 0.00 0.00 179.01 179.59 1jbi s GLU 32 N -2.72 0.72 -0.31 1.92 2.02 -1.26 -5.10 118.70 113.97 1jbi s GLU 32 Ca -0.10 -0.89 -0.06 0.00 0.02 0.00 0.00 54.97 53.94 1jbi s GLU 32 Cb 0.04 -0.61 0.02 0.00 0.10 0.00 0.00 34.13 33.69 1jbi s GLU 32 CO 0.93 -1.22 0.07 -0.06 0.02 0.00 0.00 175.26 175.00 1jbi s PHE 33 N 1.33 3.18 -0.11 1.61 0.40 -1.26 -4.89 117.98 118.25 1jbi s PHE 33 Ca 0.19 -1.26 0.01 0.00 -0.60 0.00 0.00 56.93 55.28 1jbi s PHE 33 Cb -0.11 -2.23 0.02 0.00 0.51 0.00 0.00 43.02 41.20 1jbi s PHE 33 CO -0.04 -0.66 -0.14 0.45 0.70 0.00 0.00 175.22 175.53 1jbi s SER 34 N 1.43 2.32 0.15 1.36 0.15 -1.26 -4.73 113.70 113.12 1jbi s SER 34 Ca 0.00 -0.40 0.09 0.00 0.70 0.00 0.00 55.95 56.35 1jbi s SER 34 Cb -0.18 -1.02 -0.04 0.00 -1.71 0.00 0.00 66.02 63.07 1jbi s SER 34 CO 0.02 -0.01 -0.21 -0.69 1.20 0.00 0.00 173.24 173.55 1jbi s VAL 35 N 1.09 1.95 -0.26 4.45 1.01 -1.18 -2.33 120.40 125.12 1jbi s VAL 35 Ca -0.05 -1.81 -0.04 0.00 0.00 0.00 0.00 61.98 60.08 1jbi s VAL 35 Cb -0.14 -1.83 0.09 0.00 0.00 0.00 0.00 36.38 34.49 1jbi s VAL 35 CO -0.03 -0.15 0.11 -0.31 0.00 0.00 0.00 175.10 174.72 1jbi s TYR 36 N -1.59 0.52 0.00 5.22 1.51 -1.26 -1.43 117.35 120.32 1jbi s TYR 36 Ca 0.14 -0.88 0.00 0.00 -1.01 0.00 0.00 57.07 55.31 1jbi s TYR 36 Cb -0.08 -0.98 0.00 0.00 -0.11 0.00 0.00 41.96 40.79 1jbi s TYR 36 CO 0.06 -0.76 0.00 0.41 -1.11 0.00 0.00 175.55 174.15 1jbi n GLY 37 N 5.19 -2.10 3.90 0.71 0.00 0.05 -0.79 105.19 112.15 1jbi n GLY 37 Ca -0.06 -1.33 -0.32 0.00 0.00 0.00 0.00 46.02 44.32 1jbi n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jbi s ASN 38 N -2.32 6.47 0.00 1.61 4.22 -1.26 -4.34 114.94 119.31 1jbi s ASN 38 Ca 0.00 0.52 0.00 0.00 -2.14 0.00 0.00 52.86 51.24 1jbi s ASN 38 Cb 0.00 -2.06 0.00 0.00 1.28 0.00 0.00 41.25 40.47 1jbi s ASN 38 CO 0.00 0.10 0.00 -0.38 -2.04 0.00 0.00 177.10 174.78 1jbi n ILE 39 N 0.26 0.00 -2.73 0.54 2.08 -1.26 -4.59 119.36 113.66 1jbi n ILE 39 Ca -0.04 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 62.85 1jbi n ILE 39 Cb 0.52 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.38 1jbi n ILE 39 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1jbi s VAL 40 N 0.00 4.20 -0.38 1.39 1.01 -1.26 -4.06 120.40 121.31 1jbi s VAL 40 Ca 0.00 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 61.10 1jbi s VAL 40 Cb 0.00 -4.86 0.01 0.00 0.00 0.00 0.00 36.38 31.53 1jbi s VAL 40 CO 0.00 -1.69 0.75 -0.31 0.00 0.00 0.00 175.10 173.86 1jbi s TYR 41 N 4.27 3.10 0.85 5.22 2.02 0.51 -4.10 117.35 129.21 1jbi s TYR 41 Ca 0.34 0.45 -0.11 0.00 -0.37 0.00 0.00 57.07 57.39 1jbi s TYR 41 Cb -0.07 -3.38 0.10 0.00 -0.40 0.00 0.00 41.96 38.21 1jbi s TYR 41 CO -0.00 -0.75 1.11 0.00 -1.57 0.00 0.00 175.55 174.34 1jbi s ALA 42 N 3.04 1.83 0.25 3.71 0.00 0.03 -0.31 121.76 130.30 1jbi s ALA 42 Ca 0.30 0.33 -0.10 0.00 0.00 0.00 0.00 51.96 52.49 1jbi s ALA 42 Cb -0.13 -3.33 0.37 0.00 0.00 0.00 0.00 23.12 20.04 1jbi s ALA 42 CO 0.17 -2.24 1.59 1.03 0.00 0.00 0.00 175.76 176.32 1jbi h SER 43 N -1.48 -0.72 0.32 0.00 0.87 -1.38 -0.81 113.55 110.35 1jbi h SER 43 Ca -0.45 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 1jbi h SER 43 Cb 1.25 0.50 0.00 0.00 -0.44 0.00 0.00 62.40 63.71 1jbi h SER 43 CO 0.48 -0.27 0.00 0.55 -0.53 0.00 0.00 176.83 177.06 1jbi n VAL 44 N -5.52 1.10 -1.99 2.23 3.14 -1.26 -0.83 118.33 115.21 1jbi n VAL 44 Ca 0.12 0.46 -0.40 0.00 -2.96 0.00 0.00 64.34 61.57 1jbi n VAL 44 Cb 0.43 -1.41 -0.00 0.00 -1.06 0.00 0.00 33.84 31.80 1jbi n VAL 44 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1jbi s SER 45 N -3.83 6.33 0.51 6.55 0.01 -0.31 -4.77 113.70 118.20 1jbi s SER 45 Ca 0.01 2.76 -0.23 0.00 1.31 0.00 0.00 55.95 59.81 1jbi s SER 45 Cb 0.07 -2.65 -0.06 0.00 0.21 0.00 0.00 66.02 63.59 1jbi s SER 45 CO 0.25 -0.85 1.34 -0.55 0.41 0.00 0.00 173.24 173.84 1jbi s SER 46 N -0.57 5.55 0.09 2.44 0.15 -0.98 -1.43 113.70 118.95 1jbi s SER 46 Ca 0.55 2.73 -0.17 0.00 0.70 0.00 0.00 55.95 59.76 1jbi s SER 46 Cb -0.41 -2.63 -0.08 0.00 -1.71 0.00 0.00 66.02 61.19 1jbi s SER 46 CO 0.53 -1.38 1.48 0.40 1.20 0.00 0.00 173.24 175.47 1jbi h ILE 47 N 1.71 1.28 0.39 6.45 2.04 -1.44 0.66 117.51 128.59 1jbi h ILE 47 Ca -0.51 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.23 1jbi h ILE 47 Cb 1.28 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 38.80 1jbi h ILE 47 CO 0.59 0.35 -0.23 0.00 0.00 0.00 0.00 178.15 178.86 1jbi h GLY 49 N -0.58 -0.55 0.89 0.00 0.00 -1.87 0.16 103.07 101.13 1jbi h GLY 49 Ca -0.04 0.47 0.02 0.00 0.00 0.00 0.00 47.33 47.77 1jbi h GLY 49 CO 0.05 -0.22 0.18 0.00 0.00 0.00 0.00 176.54 176.55 1jbi h ALA 50 N 0.33 0.40 0.25 3.60 0.00 -0.84 0.11 119.26 123.11 1jbi h ALA 50 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1jbi h ALA 50 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1jbi h ALA 50 CO -0.42 -0.19 -0.12 0.00 0.00 0.00 0.00 179.25 178.52 1jbi h ALA 51 N 1.15 -0.34 -0.28 0.00 0.00 -0.44 0.19 119.26 119.55 1jbi h ALA 51 Ca 0.13 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1jbi h ALA 51 Cb 0.02 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1jbi h ALA 51 CO -0.07 -0.63 -0.21 0.28 0.00 0.00 0.00 179.25 178.62 1jbi h VAL 52 N -0.47 1.26 0.66 0.00 2.07 -1.01 0.51 116.25 119.27 1jbi h VAL 52 Ca -0.03 -1.20 -0.03 0.00 0.82 0.00 0.00 66.70 66.25 1jbi h VAL 52 Cb 0.35 1.28 0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1jbi h VAL 52 CO 0.06 0.39 -0.32 -0.74 0.02 0.00 0.00 177.57 176.97 1jbi h HIS 53 N 0.46 -0.83 -0.12 1.57 6.17 -0.61 -1.09 115.15 120.69 1jbi h HIS 53 Ca 0.07 -0.02 0.04 0.00 0.71 0.00 0.00 60.37 61.17 1jbi h HIS 53 Cb 0.62 0.27 -0.00 0.00 2.52 0.00 0.00 27.41 30.82 1jbi h HIS 53 CO 0.02 -0.51 0.20 -0.09 0.71 0.00 0.00 177.93 178.26 1jbi h ARG 54 N -0.91 0.00 -1.25 5.26 9.65 -0.94 -3.42 114.38 122.77 1jbi h ARG 54 Ca -0.09 0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 58.61 1jbi h ARG 54 Cb 0.69 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.26 1jbi h ARG 54 CO 0.15 0.00 -0.23 0.41 2.80 0.00 0.00 179.97 183.10 1jbi n GLY 55 N -1.32 0.04 0.10 2.80 0.00 0.11 -4.93 105.19 101.98 1jbi n GLY 55 Ca 0.00 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 1jbi n GLY 55 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1jbi h VAL 56 N 0.00 1.13 -2.02 1.61 2.07 -1.64 -3.46 116.25 113.94 1jbi h VAL 56 Ca -0.21 -2.83 -0.52 0.00 0.82 0.00 0.00 66.70 63.96 1jbi h VAL 56 Cb 1.14 2.69 -0.06 0.00 -1.52 0.00 0.00 31.29 33.54 1jbi h VAL 56 CO 0.25 0.78 -0.53 0.27 0.02 0.00 0.00 177.57 178.37 1jbi s ILE 57 N -2.62 3.67 0.80 4.57 -4.36 -1.26 -5.01 121.20 116.99 1jbi s ILE 57 Ca -0.08 -1.55 -0.11 0.00 -0.26 0.00 0.00 60.65 58.65 1jbi s ILE 57 Cb 0.07 -3.14 0.07 0.00 1.25 0.00 0.00 42.46 40.71 1jbi s ILE 57 CO 0.84 -0.26 1.09 -0.44 0.24 0.00 0.00 174.94 176.40 1jbi s SER 58 N -3.86 4.45 -1.39 4.36 0.01 -1.26 -4.57 113.70 111.43 1jbi s SER 58 Ca 0.36 1.42 -0.14 0.00 1.31 0.00 0.00 55.95 58.90 1jbi s SER 58 Cb -0.06 -2.16 0.07 0.00 0.21 0.00 0.00 66.02 64.08 1jbi s SER 58 CO 0.24 -2.01 2.04 -3.20 0.41 0.00 0.00 173.24 170.72 1jbi n ASN 59 N -3.47 4.33 0.00 2.44 5.15 -1.26 -3.83 115.26 118.62 1jbi n ASN 59 Ca 0.07 -2.90 0.00 0.00 -0.60 0.00 0.00 54.58 51.15 1jbi n ASN 59 Cb 0.55 -1.65 0.00 0.00 -0.53 0.00 0.00 39.78 38.16 1jbi n ASN 59 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1jbi n SER 60 N 6.19 0.00 0.00 1.20 2.88 -1.25 -4.83 113.62 117.81 1jbi n SER 60 Ca 0.49 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 1jbi n SER 60 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 1jbi n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jbi n GLY 61 N 0.00 -1.55 0.00 0.46 0.00 -1.22 -3.60 105.19 99.29 1jbi n GLY 61 Ca 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.85 1jbi n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jbi n GLY 62 N -0.13 1.38 3.78 -0.02 0.00 -0.04 -4.61 105.19 105.54 1jbi n GLY 62 Ca 0.00 -2.15 -0.36 0.00 0.00 0.00 0.00 46.02 43.51 1jbi n GLY 62 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jbi s PRO 63 N -1.24 3.86 0.05 1.61 0.04 -1.26 -1.01 135.00 137.06 1jbi s PRO 63 Ca 0.00 1.58 -0.06 0.00 0.04 0.00 0.00 61.00 62.57 1jbi s PRO 63 Cb 0.00 -2.35 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 1jbi s PRO 63 CO 0.00 -0.42 0.10 0.08 0.04 0.00 0.00 177.00 176.80 1jbi s VAL 64 N -1.70 0.15 -0.24 -0.36 1.01 0.74 -4.92 120.40 115.09 1jbi s VAL 64 Ca 0.63 -1.23 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1jbi s VAL 64 Cb -0.23 -1.11 0.05 0.00 0.00 0.00 0.00 36.38 35.09 1jbi s VAL 64 CO 0.28 -0.68 -0.10 -0.60 0.00 0.00 0.00 175.10 174.00 1jbi s ARG 65 N -3.14 2.11 0.18 2.72 3.52 -0.04 -0.32 118.95 123.98 1jbi s ARG 65 Ca -0.00 -1.15 -0.18 0.00 -0.13 0.00 0.00 55.73 54.26 1jbi s ARG 65 Cb 0.02 -2.73 -0.08 0.00 -1.56 0.00 0.00 34.95 30.61 1jbi s ARG 65 CO -0.07 -0.53 0.65 0.08 -0.81 0.00 0.00 175.30 174.62 1jbi s VAL 66 N 1.23 4.67 -0.11 7.11 1.01 0.56 -0.16 120.40 134.71 1jbi s VAL 66 Ca -0.06 1.13 -0.01 0.00 0.00 0.00 0.00 61.98 63.04 1jbi s VAL 66 Cb -0.19 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.40 1jbi s VAL 66 CO -0.06 0.26 -0.01 -0.31 0.00 0.00 0.00 175.10 174.98 1jbi s TYR 67 N -1.46 0.93 1.00 5.22 2.02 -0.25 -0.93 117.35 123.88 1jbi s TYR 67 Ca 0.40 -0.45 -0.11 0.00 -0.37 0.00 0.00 57.07 56.53 1jbi s TYR 67 Cb -0.16 -0.95 0.19 0.00 -0.40 0.00 0.00 41.96 40.64 1jbi s TYR 67 CO 0.20 -0.43 1.09 -1.54 -1.57 0.00 0.00 175.55 173.30 1jbi s SER 68 N 1.89 2.35 0.04 2.29 1.04 -0.00 -0.60 113.70 120.70 1jbi s SER 68 Ca 0.03 1.76 0.02 0.00 0.48 0.00 0.00 55.95 58.24 1jbi s SER 68 Cb -0.13 -2.37 -0.02 0.00 0.10 0.00 0.00 66.02 63.59 1jbi s SER 68 CO -0.06 -3.39 -0.07 -0.22 0.98 0.00 0.00 173.24 170.48 1jbi s LEU 69 N -6.73 2.23 1.17 2.42 0.20 0.37 -4.71 118.68 113.63 1jbi s LEU 69 Ca 0.66 -0.50 -0.15 0.00 0.69 0.00 0.00 54.13 54.83 1jbi s LEU 69 Cb -0.22 -0.15 0.27 0.00 -0.43 0.00 0.00 46.19 45.66 1jbi s LEU 69 CO 0.60 -0.19 1.05 -2.16 -0.29 0.00 0.00 176.35 175.36 1jbi s PRO 70 N -1.42 -0.93 0.21 0.98 0.04 -1.26 -4.06 135.00 128.57 1jbi s PRO 70 Ca -0.09 0.43 -0.32 0.00 0.04 0.00 0.00 61.00 61.05 1jbi s PRO 70 Cb -0.09 -1.59 -0.13 0.00 0.04 0.00 0.00 34.50 32.73 1jbi s PRO 70 CO 0.00 -3.62 1.51 0.41 0.04 0.00 0.00 177.00 175.34 1jbi n GLY 71 N -0.06 1.02 3.25 0.56 0.00 -1.26 -4.68 105.19 104.03 1jbi n GLY 71 Ca 0.07 0.56 -0.10 0.00 0.00 0.00 0.00 46.02 46.55 1jbi n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jbi s ARG 72 N 0.18 1.05 0.00 1.61 0.52 -1.26 -5.06 118.95 116.00 1jbi s ARG 72 Ca 0.72 -1.28 0.00 0.00 -0.52 0.00 0.00 55.73 54.65 1jbi s ARG 72 Cb -0.63 0.32 0.00 0.00 0.52 0.00 0.00 34.95 35.15 1jbi s ARG 72 CO 0.44 -0.35 0.00 -0.85 0.02 0.00 0.00 175.30 174.56 1jbi n GLU 73 N -0.16 0.10 -3.98 3.54 0.00 -1.26 -3.04 120.64 115.84 1jbi n GLU 73 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.77 1jbi n GLU 73 Cb 0.63 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 32.06 1jbi n GLU 73 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1jbi n ASN 74 N -1.39 -1.94 -3.32 -1.84 4.13 -1.26 -4.92 115.26 104.72 1jbi n ASN 74 Ca 0.00 -1.12 -0.22 0.00 1.68 0.00 0.00 54.58 54.93 1jbi n ASN 74 Cb 0.00 -2.59 0.17 0.00 -1.54 0.00 0.00 39.78 35.81 1jbi n ASN 74 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1jbi n TYR 75 N -4.51 -3.80 -4.25 3.10 4.02 -1.26 -5.06 117.16 105.40 1jbi n TYR 75 Ca -0.23 -0.78 -0.14 0.00 -0.01 0.00 0.00 57.90 56.75 1jbi n TYR 75 Cb 0.64 -0.79 -0.10 0.00 -0.02 0.00 0.00 39.34 39.07 1jbi n TYR 75 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1jbi s SER 76 N -4.02 0.94 -0.18 7.72 0.01 -1.26 -4.77 113.70 112.13 1jbi s SER 76 Ca 0.53 -1.29 -0.01 0.00 1.31 0.00 0.00 55.95 56.49 1jbi s SER 76 Cb -0.04 0.19 -0.00 0.00 0.21 0.00 0.00 66.02 66.39 1jbi s SER 76 CO 0.39 -0.69 -0.12 -0.44 0.41 0.00 0.00 173.24 172.79 1jbi s SER 77 N -3.21 3.83 -0.02 2.44 0.01 -1.26 -2.87 113.70 112.62 1jbi s SER 77 Ca 0.31 -0.45 -0.07 0.00 1.31 0.00 0.00 55.95 57.06 1jbi s SER 77 Cb 0.07 -1.61 0.01 0.00 0.21 0.00 0.00 66.02 64.69 1jbi s SER 77 CO 0.09 0.05 0.15 -0.69 0.41 0.00 0.00 173.24 173.24 1jbi s VAL 78 N 1.03 0.05 -0.10 3.43 1.01 -0.96 -4.94 120.40 119.92 1jbi s VAL 78 Ca -0.01 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 1jbi s VAL 78 Cb -0.15 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 1jbi s VAL 78 CO -0.02 -0.24 0.07 -0.62 0.00 0.00 0.00 175.10 174.29 1jbi s ASP 79 N -0.83 5.84 -0.05 3.32 -1.08 -1.26 -0.57 116.67 122.04 1jbi s ASP 79 Ca -0.09 0.31 -0.02 0.00 -0.52 0.00 0.00 52.55 52.23 1jbi s ASP 79 Cb -0.05 -1.79 0.03 0.00 -1.46 0.00 0.00 42.92 39.64 1jbi s ASP 79 CO 0.01 0.39 0.10 0.00 0.52 0.00 0.00 175.17 176.19 1jbi s ALA 80 N -0.94 -0.18 -1.33 3.66 0.00 -0.30 -4.88 121.76 117.79 1jbi s ALA 80 Ca 0.14 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1jbi s ALA 80 Cb -0.12 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.70 1jbi s ALA 80 CO 0.03 -0.11 0.00 0.09 0.00 0.00 0.00 175.76 175.77 1jbi n ASN 81 N 3.79 -3.89 0.00 0.00 3.02 -1.26 -1.34 115.26 115.58 1jbi n ASN 81 Ca -0.22 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1jbi n ASN 81 Cb 0.54 -3.46 0.00 0.00 -0.61 0.00 0.00 39.78 36.25 1jbi n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jbi n GLY 82 N -0.51 0.71 3.59 7.41 0.00 -1.26 -5.02 105.19 110.10 1jbi n GLY 82 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 1jbi n GLY 82 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jbi s ILE 83 N -2.45 4.49 -0.15 -0.61 1.01 -0.45 -5.10 121.20 117.94 1jbi s ILE 83 Ca 0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 60.65 60.45 1jbi s ILE 83 Cb 0.00 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 1jbi s ILE 83 CO 0.00 0.47 0.06 -1.58 0.00 0.00 0.00 174.94 173.89 1jbi s GLN 84 N 0.40 3.63 0.02 2.79 2.00 -1.26 -1.15 119.66 126.09 1jbi s GLN 84 Ca 0.01 -0.31 0.00 0.00 -2.00 0.00 0.00 55.36 53.05 1jbi s GLN 84 Cb -0.13 -3.11 -0.04 0.00 0.80 0.00 0.00 33.01 30.53 1jbi s GLN 84 CO 0.01 0.48 0.10 -1.54 -0.50 0.00 0.00 175.29 173.84 1jbi s SER 85 N -0.22 5.77 0.03 6.67 1.04 0.26 -3.13 113.70 124.13 1jbi s SER 85 Ca 0.08 0.15 0.08 0.00 0.48 0.00 0.00 55.95 56.73 1jbi s SER 85 Cb -0.12 -1.67 -0.02 0.00 0.10 0.00 0.00 66.02 64.31 1jbi s SER 85 CO 0.01 0.25 -0.23 0.00 0.98 0.00 0.00 173.24 174.25 1jbi s GLN 86 N -1.93 1.64 1.00 4.02 -2.07 -0.51 -2.27 119.66 119.54 1jbi s GLN 86 Ca 0.25 -0.97 -0.11 0.00 -1.82 0.00 0.00 55.36 52.71 1jbi s GLN 86 Cb -0.12 -1.73 0.19 0.00 -1.09 0.00 0.00 33.01 30.26 1jbi s GLN 86 CO 0.17 0.45 1.08 0.00 -1.32 0.00 0.00 175.29 175.68 1jbi s MET 87 N -1.04 0.34 0.27 9.60 0.23 -1.14 -0.77 119.30 126.80 1jbi s MET 87 Ca 0.09 1.07 0.03 0.00 -1.03 0.00 0.00 55.69 55.85 1jbi s MET 87 Cb -0.09 -1.68 -0.03 0.00 -1.53 0.00 0.00 34.83 31.49 1jbi s MET 87 CO 0.01 -2.94 0.23 -0.51 -2.03 0.00 0.00 175.02 169.79 1jbi s LEU 88 N -6.73 1.41 -1.06 0.18 1.02 -1.26 -4.86 118.68 107.38 1jbi s LEU 88 Ca 0.66 -1.56 -0.10 0.00 0.02 0.00 0.00 54.13 53.15 1jbi s LEU 88 Cb -0.22 0.57 0.26 0.00 0.02 0.00 0.00 46.19 46.82 1jbi s LEU 88 CO 0.60 -0.98 1.07 -0.94 0.02 0.00 0.00 176.35 176.11 1jbi s SER 89 N -3.26 7.20 -1.03 2.29 1.04 -1.26 -4.41 113.70 114.27 1jbi s SER 89 Ca 0.39 -3.39 -0.14 0.00 0.48 0.00 0.00 55.95 53.29 1jbi s SER 89 Cb 0.04 -2.22 -0.01 0.00 0.10 0.00 0.00 66.02 63.93 1jbi s SER 89 CO 0.20 -0.37 0.77 -1.14 0.98 0.00 0.00 173.24 173.68 1jbi n ARG 90 N 3.13 -1.36 -2.73 4.02 0.63 -1.26 -4.88 116.66 114.21 1jbi n ARG 90 Ca 0.23 0.69 -0.43 0.00 -0.92 0.00 0.00 57.85 57.42 1jbi n ARG 90 Cb 0.41 -4.29 -0.03 0.00 0.45 0.00 0.00 32.46 29.00 1jbi n ARG 90 CO 0.00 0.00 0.00 -0.46 -2.51 0.00 0.00 177.63 174.66 1jbi s TRP 91 N -3.33 2.80 0.00 -0.14 -0.11 -1.17 -4.88 118.94 112.11 1jbi s TRP 91 Ca 0.35 0.36 0.00 0.00 1.22 0.00 0.00 56.10 58.02 1jbi s TRP 91 Cb -0.11 -4.21 0.00 0.00 -1.50 0.00 0.00 33.47 27.64 1jbi s TRP 91 CO 0.84 -1.31 1.23 0.43 -4.62 0.00 0.00 176.95 173.52 1jbi n SER 92 N 7.66 3.48 -3.25 5.86 7.64 -1.26 -3.90 113.62 129.85 1jbi n SER 92 Ca 0.07 -1.99 -0.04 0.00 1.01 0.00 0.00 58.87 57.91 1jbi n SER 92 Cb 0.48 -0.65 -0.04 0.00 -1.01 0.00 0.00 64.21 62.99 1jbi n SER 92 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jbi s ALA 93 N 0.11 -1.65 0.17 -0.43 0.00 -1.26 -4.82 121.76 113.87 1jbi s ALA 93 Ca 0.00 0.49 0.01 0.00 0.00 0.00 0.00 51.96 52.46 1jbi s ALA 93 Cb 0.00 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 1jbi s ALA 93 CO 0.00 -1.81 0.03 -1.12 0.00 0.00 0.00 175.76 172.86 1jbi s SER 94 N 2.60 0.94 0.33 0.00 0.01 -1.25 -1.00 113.70 115.33 1jbi s SER 94 Ca 0.10 -1.20 -0.11 0.00 1.31 0.00 0.00 55.95 56.05 1jbi s SER 94 Cb -0.11 0.17 0.02 0.00 0.21 0.00 0.00 66.02 66.31 1jbi s SER 94 CO -0.28 -0.63 0.60 0.72 0.41 0.00 0.00 173.24 174.06 1jbi s PHE 95 N -3.78 0.49 0.01 2.43 -0.71 0.57 -0.48 117.98 116.51 1jbi s PHE 95 Ca 0.25 -0.91 0.00 0.00 -1.04 0.00 0.00 56.93 55.24 1jbi s PHE 95 Cb 0.07 0.34 -0.01 0.00 -1.21 0.00 0.00 43.02 42.21 1jbi s PHE 95 CO 0.04 -1.25 -0.02 -0.08 -1.34 0.00 0.00 175.22 172.57 1jbi s THR 96 N -3.13 0.14 0.06 -4.49 -1.32 0.23 -0.37 115.64 106.77 1jbi s THR 96 Ca 0.22 -0.44 0.03 0.00 -1.21 0.00 0.00 61.69 60.29 1jbi s THR 96 Cb -0.02 -0.19 -0.04 0.00 -1.51 0.00 0.00 72.50 70.73 1jbi s THR 96 CO 0.14 -0.19 0.05 0.54 -2.21 0.00 0.00 174.62 172.94 1jbi s VAL 97 N -0.64 4.36 0.37 5.08 0.11 -1.26 -1.09 120.40 127.32 1jbi s VAL 97 Ca -0.06 -0.78 -0.04 0.00 -2.93 0.00 0.00 61.98 58.17 1jbi s VAL 97 Cb -0.05 -3.06 0.02 0.00 -1.53 0.00 0.00 36.38 31.76 1jbi s VAL 97 CO -0.00 0.18 0.55 0.42 -3.33 0.00 0.00 175.10 172.92 1jbi s THR 98 N -1.31 0.00 0.12 5.04 -4.23 0.78 -4.99 115.64 111.05 1jbi s THR 98 Ca 0.26 -1.48 0.08 0.00 -1.18 0.00 0.00 61.69 59.37 1jbi s THR 98 Cb -0.12 -2.75 -0.04 0.00 1.34 0.00 0.00 72.50 70.93 1jbi s THR 98 CO 0.19 0.00 -0.18 -0.76 -0.54 0.00 0.00 174.62 173.33 1jbi s LEU 99 N -3.23 2.36 0.00 4.79 1.43 -1.26 -0.86 118.68 121.91 1jbi s LEU 99 Ca 0.28 -0.76 0.30 0.00 -1.03 0.00 0.00 54.13 52.92 1jbi s LEU 99 Cb -0.02 -0.76 1.46 0.00 0.03 0.00 0.00 46.19 46.90 1jbi s LEU 99 CO 0.20 -0.03 1.97 1.21 0.23 0.00 0.00 176.35 179.94