#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 -1.77 1.04 1.79 0.00 -1.26 -5.17 121.76 116.39 1jbi s ALA 2 Ca 0.00 1.02 -0.12 0.00 0.00 0.00 0.00 51.96 52.86 1jbi s ALA 2 Cb 0.00 0.29 0.21 0.00 0.00 0.00 0.00 23.12 23.62 1jbi s ALA 2 CO 0.00 -0.59 1.07 -1.25 0.00 0.00 0.00 175.76 174.99 1jbi s PRO 3 N -2.62 0.08 -0.30 0.00 0.04 -1.26 -4.90 135.00 126.05 1jbi s PRO 3 Ca -0.00 0.79 -0.06 0.00 0.04 0.00 0.00 61.00 61.77 1jbi s PRO 3 Cb -0.01 -1.67 0.02 0.00 0.04 0.00 0.00 34.50 32.87 1jbi s PRO 3 CO -0.05 -3.04 0.07 0.42 0.04 0.00 0.00 177.00 174.44 1jbi s ILE 4 N -2.73 3.83 -0.43 0.56 1.09 0.26 -4.90 121.20 118.87 1jbi s ILE 4 Ca 0.66 -0.81 -0.26 0.00 -1.10 0.00 0.00 60.65 59.14 1jbi s ILE 4 Cb -0.21 -3.01 0.02 0.00 -1.06 0.00 0.00 42.46 38.20 1jbi s ILE 4 CO 0.60 0.04 0.97 0.00 -0.10 0.00 0.00 174.94 176.46 1jbi s ALA 5 N 1.46 3.28 0.14 9.38 0.00 -1.26 -1.18 121.76 133.60 1jbi s ALA 5 Ca 0.02 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1jbi s ALA 5 Cb -0.18 -3.66 -0.04 0.00 0.00 0.00 0.00 23.12 19.24 1jbi s ALA 5 CO 0.02 -1.94 0.30 0.96 0.00 0.00 0.00 175.76 175.10 1jbi s ILE 6 N 3.81 5.30 -0.11 0.00 -5.25 -0.71 -4.94 121.20 119.29 1jbi s ILE 6 Ca 0.40 -0.50 0.00 0.00 -0.99 0.00 0.00 60.65 59.56 1jbi s ILE 6 Cb -0.10 -3.71 0.12 0.00 2.95 0.00 0.00 42.46 41.72 1jbi s ILE 6 CO 0.25 -0.06 1.53 1.07 -1.79 0.00 0.00 174.94 175.94 1jbi n THR 7 N -0.38 1.83 -0.55 8.37 5.66 -1.26 -4.13 114.28 123.83 1jbi n THR 7 Ca -0.06 -0.66 -0.02 0.00 -3.05 0.00 0.00 64.05 60.27 1jbi n THR 7 Cb 0.53 -1.11 -0.01 0.00 -1.55 0.00 0.00 70.33 68.19 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 -0.85 0.00 -1.78 0.00 7.35 -1.26 -4.62 117.46 116.30 1jbi n PHE 9 Ca -0.02 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.26 1jbi n PHE 9 Cb 0.17 -0.53 -0.02 0.00 0.35 0.00 0.00 39.48 39.45 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 -3.15 2.09 0.51 -2.13 2.01 -1.26 -4.88 115.64 108.83 1jbi s THR 10 Ca -0.07 0.07 0.05 0.00 0.31 0.00 0.00 61.69 62.05 1jbi s THR 10 Cb 0.11 -3.05 0.04 0.00 0.01 0.00 0.00 72.50 69.61 1jbi s THR 10 CO 0.79 0.01 0.70 -0.13 -0.69 0.00 0.00 174.62 175.30 1jbi s ARG 11 N -0.23 2.58 0.00 4.92 0.52 -1.26 -2.25 118.95 123.22 1jbi s ARG 11 Ca 0.65 -1.10 0.03 0.00 -0.52 0.00 0.00 55.73 54.79 1jbi s ARG 11 Cb -0.48 -2.61 0.18 0.00 0.52 0.00 0.00 34.95 32.56 1jbi s ARG 11 CO 0.45 -0.59 0.58 0.41 0.02 0.00 0.00 175.30 176.17 1jbi n GLY 12 N -2.15 -0.38 0.17 -3.53 0.00 0.17 -2.11 105.19 97.35 1jbi n GLY 12 Ca 0.09 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 1jbi n GLY 12 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jbi h LEU 13 N 0.00 0.78 0.21 0.99 3.38 -1.48 -3.39 115.31 115.79 1jbi h LEU 13 Ca 0.00 -0.69 -0.01 0.00 0.09 0.00 0.00 57.88 57.27 1jbi h LEU 13 Cb 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1jbi h LEU 13 CO 0.00 1.49 -0.10 0.44 0.09 0.00 0.00 178.44 180.37 1jbi h ASP 14 N 0.28 -0.23 -1.91 -0.43 5.19 -1.75 -3.40 116.42 114.17 1jbi h ASP 14 Ca -0.15 0.01 -0.62 0.00 -0.62 0.00 0.00 57.03 55.65 1jbi h ASP 14 Cb 1.81 0.06 -0.12 0.00 0.18 0.00 0.00 39.33 41.25 1jbi h ASP 14 CO 0.21 0.05 1.10 -0.63 -3.12 0.00 0.00 179.24 176.86 1jbi s ILE 15 N -2.47 4.16 -0.58 0.35 1.01 -1.24 -4.76 121.20 117.67 1jbi s ILE 15 Ca -0.04 -0.72 0.06 0.00 0.00 0.00 0.00 60.65 59.95 1jbi s ILE 15 Cb 0.00 -4.90 0.24 0.00 0.01 0.00 0.00 42.46 37.81 1jbi s ILE 15 CO 0.12 -1.74 0.64 0.54 0.00 0.00 0.00 174.94 174.50 1jbi n ARG 16 N 8.16 1.87 -3.39 2.79 1.74 -1.26 -4.75 116.66 121.82 1jbi n ARG 16 Ca 0.20 -4.22 -0.20 0.00 -0.77 0.00 0.00 57.85 52.86 1jbi n ARG 16 Cb 0.49 -1.98 -0.01 0.00 -1.02 0.00 0.00 32.46 29.95 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 -1.90 2.55 0.22 5.56 -0.14 -1.26 -5.03 119.74 119.75 1jbi s LYS 17 Ca 0.36 -1.52 -0.08 0.00 -1.36 0.00 0.00 55.97 53.38 1jbi s LYS 17 Cb 0.12 -2.48 0.18 0.00 -1.68 0.00 0.00 37.83 33.98 1jbi s LYS 17 CO -0.07 -0.33 1.82 1.49 -0.76 0.00 0.00 175.35 177.51 1jbi h GLU 18 N 0.80 1.21 -2.38 1.68 4.22 -1.97 -3.36 114.58 114.78 1jbi h GLU 18 Ca -0.39 -0.17 -0.03 0.00 0.08 0.00 0.00 59.36 58.86 1jbi h GLU 18 Cb 1.28 -0.22 -0.16 0.00 0.50 0.00 0.00 28.75 30.14 1jbi h GLU 18 CO 0.52 0.92 0.24 -1.59 -2.18 0.00 0.00 179.01 176.92 1jbi s LYS 19 N -5.74 1.10 -0.11 1.92 -2.85 -1.26 -0.73 119.74 112.06 1jbi s LYS 19 Ca -0.13 -0.06 -0.07 0.00 -1.00 0.00 0.00 55.97 54.72 1jbi s LYS 19 Cb 0.16 0.51 0.04 0.00 -2.06 0.00 0.00 37.83 36.49 1jbi s LYS 19 CO 0.83 -0.41 0.28 0.00 0.10 0.00 0.00 175.35 176.14 1jbi s ALA 20 N -2.29 -0.66 -0.24 0.59 0.00 0.24 -4.97 121.76 114.44 1jbi s ALA 20 Ca -0.05 1.04 -0.17 0.00 0.00 0.00 0.00 51.96 52.78 1jbi s ALA 20 Cb -0.00 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 1jbi s ALA 20 CO -0.01 -0.20 0.46 -0.51 0.00 0.00 0.00 175.76 175.51 1jbi s ASP 21 N 1.08 6.43 0.13 0.00 1.01 -1.26 -0.43 116.67 123.63 1jbi s ASP 21 Ca -0.08 0.51 0.05 0.00 0.71 0.00 0.00 52.55 53.74 1jbi s ASP 21 Cb -0.09 -2.26 -0.04 0.00 1.01 0.00 0.00 42.92 41.55 1jbi s ASP 21 CO -0.08 -0.20 -0.12 0.68 0.21 0.00 0.00 175.17 175.67 1jbi s VAL 22 N 1.90 1.21 0.03 -1.27 -7.23 0.22 -0.58 120.40 114.68 1jbi s VAL 22 Ca 0.20 -1.86 0.08 0.00 -1.81 0.00 0.00 61.98 58.59 1jbi s VAL 22 Cb -0.15 -1.65 -0.03 0.00 0.56 0.00 0.00 36.38 35.11 1jbi s VAL 22 CO 0.09 -0.59 -0.22 -0.76 -0.31 0.00 0.00 175.10 173.31 1jbi s LEU 23 N -2.78 2.36 -0.63 1.32 2.01 -0.32 -0.91 118.68 119.72 1jbi s LEU 23 Ca 0.12 -0.49 0.05 0.00 0.01 0.00 0.00 54.13 53.82 1jbi s LEU 23 Cb -0.01 -1.40 0.16 0.00 0.01 0.00 0.00 46.19 44.95 1jbi s LEU 23 CO 0.02 0.27 0.43 0.00 1.01 0.00 0.00 176.35 178.08 1jbi s PRO 25 N -1.03 3.35 0.00 0.00 0.04 -1.26 -1.05 135.00 135.05 1jbi s PRO 25 Ca 0.24 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.00 1jbi s PRO 25 Cb -0.07 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1jbi s PRO 25 CO -0.14 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 176.43 1jbi n GLY 26 N 0.32 1.58 0.00 0.56 0.00 -1.26 -4.51 105.19 101.88 1jbi n GLY 26 Ca 0.11 -1.99 0.13 0.00 0.00 0.00 0.00 46.02 44.27 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 1.83 -1.40 3.57 -0.02 0.00 -1.26 -3.17 105.19 104.74 1jbi n GLY 27 Ca 0.00 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.28 1.42 -1.28 0.00 0.04 -1.26 -4.73 135.00 125.91 1jbi s PRO 29 Ca 0.25 1.16 -0.12 0.00 0.04 0.00 0.00 61.00 62.34 1jbi s PRO 29 Cb -0.03 -1.80 -0.06 0.00 0.04 0.00 0.00 34.50 32.65 1jbi s PRO 29 CO 0.88 -2.23 2.42 1.28 0.04 0.00 0.00 177.00 179.39 1jbi n LEU 30 N -3.92 6.65 0.07 -3.56 4.32 -1.26 -4.53 117.00 114.77 1jbi n LEU 30 Ca 0.09 -3.71 -0.13 0.00 -0.02 0.00 0.00 56.01 52.24 1jbi n LEU 30 Cb 0.53 -1.39 -0.09 0.00 -1.62 0.00 0.00 43.42 40.85 1jbi n LEU 30 CO 0.53 1.12 0.56 -0.08 -1.22 0.00 0.00 177.39 178.30 1jbi h GLU 31 N 6.00 -0.20 -2.01 3.23 4.81 -1.98 -3.41 114.58 121.01 1jbi h GLU 31 Ca 0.64 0.01 -0.40 0.00 -0.13 0.00 0.00 59.36 59.48 1jbi h GLU 31 Cb 0.39 0.05 -0.32 0.00 0.63 0.00 0.00 28.75 29.49 1jbi h GLU 31 CO 1.75 0.19 -0.73 -1.21 -0.73 0.00 0.00 179.01 178.28 1jbi s GLU 32 N -4.32 0.69 -0.33 1.92 2.02 -1.26 -5.08 118.70 112.33 1jbi s GLU 32 Ca -0.14 -1.07 -0.09 0.00 0.02 0.00 0.00 54.97 53.69 1jbi s GLU 32 Cb 0.02 -0.82 0.02 0.00 0.10 0.00 0.00 34.13 33.44 1jbi s GLU 32 CO 0.58 -1.23 0.14 -0.06 0.02 0.00 0.00 175.26 174.72 1jbi s PHE 33 N 1.19 3.21 -0.10 1.61 0.40 -1.26 -4.81 117.98 118.21 1jbi s PHE 33 Ca 0.20 -0.94 0.01 0.00 -0.60 0.00 0.00 56.93 55.59 1jbi s PHE 33 Cb -0.13 -2.35 0.02 0.00 0.51 0.00 0.00 43.02 41.07 1jbi s PHE 33 CO -0.04 -0.60 -0.13 0.45 0.70 0.00 0.00 175.22 175.61 1jbi s SER 34 N 1.53 2.24 0.08 1.36 0.15 -1.26 -4.77 113.70 113.03 1jbi s SER 34 Ca 0.02 -0.37 0.08 0.00 0.70 0.00 0.00 55.95 56.38 1jbi s SER 34 Cb -0.18 -0.98 -0.03 0.00 -1.71 0.00 0.00 66.02 63.12 1jbi s SER 34 CO 0.05 -0.01 -0.22 -0.69 1.20 0.00 0.00 173.24 173.57 1jbi s VAL 35 N 1.10 1.76 -0.26 4.45 1.01 -1.14 -0.87 120.40 126.45 1jbi s VAL 35 Ca -0.05 -1.44 -0.03 0.00 0.00 0.00 0.00 61.98 60.45 1jbi s VAL 35 Cb -0.14 -1.57 0.09 0.00 0.00 0.00 0.00 36.38 34.75 1jbi s VAL 35 CO -0.02 0.06 0.11 -0.31 0.00 0.00 0.00 175.10 174.93 1jbi s TYR 36 N -1.02 0.62 0.00 5.22 1.51 -1.26 -1.56 117.35 120.86 1jbi s TYR 36 Ca 0.08 -0.92 0.00 0.00 -1.01 0.00 0.00 57.07 55.21 1jbi s TYR 36 Cb -0.10 -1.02 0.00 0.00 -0.11 0.00 0.00 41.96 40.73 1jbi s TYR 36 CO 0.04 -0.75 0.00 0.41 -1.11 0.00 0.00 175.55 174.13 1jbi n GLY 37 N 5.16 -1.82 3.87 0.71 0.00 0.30 -0.89 105.19 112.53 1jbi n GLY 37 Ca -0.06 -1.34 -0.36 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.11 6.59 0.00 1.61 4.22 -1.26 -4.27 114.94 119.73 1jbi s ASN 38 Ca 0.00 0.70 0.00 0.00 -2.14 0.00 0.00 52.86 51.42 1jbi s ASN 38 Cb 0.00 -2.15 0.00 0.00 1.28 0.00 0.00 41.25 40.38 1jbi s ASN 38 CO 0.00 0.26 0.00 -0.38 -2.04 0.00 0.00 177.10 174.94 1jbi n ILE 39 N 1.28 0.00 -2.55 0.54 2.08 -1.26 -4.62 119.36 114.84 1jbi n ILE 39 Ca -0.12 0.00 -0.41 0.00 0.56 0.00 0.00 62.75 62.78 1jbi n ILE 39 Cb 0.53 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.39 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 3.84 -0.37 1.39 1.01 -1.26 -3.99 120.40 121.03 1jbi s VAL 40 Ca 0.00 -0.36 -0.23 0.00 0.00 0.00 0.00 61.98 61.39 1jbi s VAL 40 Cb 0.00 -4.99 0.01 0.00 0.00 0.00 0.00 36.38 31.40 1jbi s VAL 40 CO 0.00 -1.90 0.79 -0.31 0.00 0.00 0.00 175.10 173.69 1jbi s TYR 41 N 5.32 3.10 0.75 5.22 2.02 0.34 -4.10 117.35 130.00 1jbi s TYR 41 Ca 0.43 0.54 -0.13 0.00 -0.37 0.00 0.00 57.07 57.53 1jbi s TYR 41 Cb -0.03 -3.44 0.05 0.00 -0.40 0.00 0.00 41.96 38.14 1jbi s TYR 41 CO -0.01 -0.76 1.16 0.00 -1.57 0.00 0.00 175.55 174.36 1jbi s ALA 42 N 3.14 2.10 0.31 3.71 0.00 -0.07 -0.54 121.76 130.42 1jbi s ALA 42 Ca 0.32 0.67 0.08 0.00 0.00 0.00 0.00 51.96 53.02 1jbi s ALA 42 Cb -0.13 -3.40 0.85 0.00 0.00 0.00 0.00 23.12 20.44 1jbi s ALA 42 CO 0.17 -1.88 1.69 1.03 0.00 0.00 0.00 175.76 176.77 1jbi h SER 43 N -0.61 0.42 0.30 0.00 0.87 -1.41 -0.13 113.55 112.99 1jbi h SER 43 Ca -0.46 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1jbi h SER 43 Cb 1.27 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.36 1jbi h SER 43 CO 0.49 -0.03 0.00 0.55 -0.53 0.00 0.00 176.83 177.32 1jbi n VAL 44 N -5.03 1.03 -1.89 2.23 3.14 -1.26 -1.36 118.33 115.19 1jbi n VAL 44 Ca 0.26 0.51 -0.40 0.00 -2.96 0.00 0.00 64.34 61.74 1jbi n VAL 44 Cb 0.76 -1.47 0.00 0.00 -1.06 0.00 0.00 33.84 32.07 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 -3.99 6.24 0.42 6.55 0.01 -0.06 -4.65 113.70 118.22 1jbi s SER 45 Ca 0.01 2.89 -0.26 0.00 1.31 0.00 0.00 55.95 59.89 1jbi s SER 45 Cb 0.07 -2.66 -0.10 0.00 0.21 0.00 0.00 66.02 63.55 1jbi s SER 45 CO 0.26 -0.93 1.42 -0.24 0.41 0.00 0.00 173.24 174.16 1jbi n SER 46 N 0.23 3.32 -0.04 2.44 2.88 -0.05 -0.66 113.62 121.74 1jbi n SER 46 Ca 0.03 1.16 -0.12 0.00 -1.33 0.00 0.00 58.87 58.60 1jbi n SER 46 Cb 0.41 -1.59 -0.07 0.00 -0.75 0.00 0.00 64.21 62.21 1jbi n SER 46 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1jbi h ILE 47 N 2.47 1.29 0.06 2.46 2.04 -1.75 0.50 117.51 124.59 1jbi h ILE 47 Ca -0.50 -0.96 0.01 0.00 1.00 0.00 0.00 64.86 64.40 1jbi h ILE 47 Cb 1.27 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 39.05 1jbi h ILE 47 CO 0.62 0.27 -0.08 0.00 0.00 0.00 0.00 178.15 178.97 1jbi h GLY 49 N -0.16 -0.67 0.77 0.00 0.00 -1.86 0.15 103.07 101.30 1jbi h GLY 49 Ca 0.01 0.45 0.03 0.00 0.00 0.00 0.00 47.33 47.83 1jbi h GLY 49 CO -0.03 -0.24 0.19 0.00 0.00 0.00 0.00 176.54 176.45 1jbi h ALA 50 N 0.09 0.49 0.31 3.60 0.00 -0.82 0.21 119.26 123.14 1jbi h ALA 50 Ca 0.05 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1jbi h ALA 50 Cb 0.62 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1jbi h ALA 50 CO -0.29 -0.18 -0.15 0.00 0.00 0.00 0.00 179.25 178.63 1jbi h ALA 51 N 1.22 -0.42 -0.35 0.00 0.00 -0.33 0.32 119.26 119.71 1jbi h ALA 51 Ca 0.17 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1jbi h ALA 51 Cb 0.10 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1jbi h ALA 51 CO -0.13 -0.67 -0.14 0.28 0.00 0.00 0.00 179.25 178.59 1jbi h VAL 52 N -0.55 1.25 0.31 0.00 2.07 -0.70 0.10 116.25 118.73 1jbi h VAL 52 Ca -0.04 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 1jbi h VAL 52 Cb 0.41 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1jbi h VAL 52 CO 0.07 0.38 -0.16 -0.74 0.02 0.00 0.00 177.57 177.13 1jbi h HIS 53 N 0.57 -0.42 -0.03 1.57 6.17 -0.82 -2.12 115.15 120.06 1jbi h HIS 53 Ca 0.10 -0.01 0.01 0.00 0.71 0.00 0.00 60.37 61.18 1jbi h HIS 53 Cb 0.57 0.14 -0.00 0.00 2.52 0.00 0.00 27.41 30.64 1jbi h HIS 53 CO 0.02 -0.26 0.05 -0.09 0.71 0.00 0.00 177.93 178.36 1jbi h ARG 54 N -0.44 0.00 0.00 5.26 9.65 -0.80 -3.45 114.38 124.60 1jbi h ARG 54 Ca -0.04 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1jbi h ARG 54 Cb 0.35 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.93 1jbi h ARG 54 CO 0.06 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.24 1jbi n GLY 55 N -1.25 0.43 0.21 2.80 0.00 -0.09 -4.96 105.19 102.33 1jbi n GLY 55 Ca -0.02 -0.97 -0.14 0.00 0.00 0.00 0.00 46.02 44.89 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 0.68 -3.60 1.61 2.07 -1.14 -3.47 116.25 112.40 1jbi h VAL 56 Ca 0.00 -0.34 -0.36 0.00 0.82 0.00 0.00 66.70 66.82 1jbi h VAL 56 Cb 0.36 0.86 -0.14 0.00 -1.52 0.00 0.00 31.29 30.85 1jbi h VAL 56 CO 0.00 0.07 -0.62 0.27 0.02 0.00 0.00 177.57 177.30 1jbi s ILE 57 N -5.33 0.71 0.53 4.57 -4.36 -1.25 -4.93 121.20 111.14 1jbi s ILE 57 Ca -0.15 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.31 1jbi s ILE 57 Cb 0.03 -2.57 0.04 0.00 1.25 0.00 0.00 42.46 41.21 1jbi s ILE 57 CO 0.59 -0.09 0.52 -0.44 0.24 0.00 0.00 174.94 175.76 1jbi s SER 58 N -3.32 4.85 -0.52 4.36 0.01 -1.26 -4.00 113.70 113.82 1jbi s SER 58 Ca 0.35 -1.04 -0.27 0.00 1.31 0.00 0.00 55.95 56.30 1jbi s SER 58 Cb 0.08 0.21 -0.27 0.00 0.21 0.00 0.00 66.02 66.25 1jbi s SER 58 CO 0.12 -1.10 1.81 -3.20 0.41 0.00 0.00 173.24 171.28 1jbi n ASN 59 N -1.87 1.69 0.00 2.44 4.05 -1.26 -3.04 115.26 117.27 1jbi n ASN 59 Ca 0.04 -2.57 0.00 0.00 0.45 0.00 0.00 54.58 52.51 1jbi n ASN 59 Cb 0.63 -1.01 0.00 0.00 1.23 0.00 0.00 39.78 40.63 1jbi n ASN 59 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1jbi n SER 60 N 11.06 0.00 -0.43 1.20 2.88 -0.86 -4.87 113.62 122.61 1jbi n SER 60 Ca 0.46 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 58.06 1jbi n SER 60 Cb 0.43 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.87 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 -1.62 0.00 0.46 0.00 -1.17 -4.19 105.19 98.67 1jbi n GLY 61 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.22 0.12 3.76 -0.02 0.00 -0.22 -4.78 105.19 101.82 1jbi n GLY 62 Ca -0.00 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.74 4.41 0.11 1.61 0.04 -1.26 -1.01 135.00 137.16 1jbi s PRO 63 Ca 0.00 2.10 -0.03 0.00 0.04 0.00 0.00 61.00 63.10 1jbi s PRO 63 Cb 0.00 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.37 1jbi s PRO 63 CO 0.00 -0.16 0.09 0.08 0.04 0.00 0.00 177.00 177.06 1jbi s VAL 64 N -0.65 0.13 -0.18 -0.36 1.01 -0.09 -4.67 120.40 115.59 1jbi s VAL 64 Ca 0.51 -1.72 -0.04 0.00 0.00 0.00 0.00 61.98 60.73 1jbi s VAL 64 Cb -0.37 -1.82 0.09 0.00 0.00 0.00 0.00 36.38 34.27 1jbi s VAL 64 CO 0.45 -0.57 0.23 -0.60 0.00 0.00 0.00 175.10 174.61 1jbi s ARG 65 N -3.99 0.18 0.25 2.72 3.52 0.70 -0.61 118.95 121.73 1jbi s ARG 65 Ca 0.17 0.36 -0.21 0.00 -0.13 0.00 0.00 55.73 55.92 1jbi s ARG 65 Cb 0.07 -0.86 -0.09 0.00 -1.56 0.00 0.00 34.95 32.51 1jbi s ARG 65 CO -0.02 -0.55 0.78 0.08 -0.81 0.00 0.00 175.30 174.78 1jbi s VAL 66 N 2.35 4.48 -0.04 7.11 1.01 0.43 -0.49 120.40 135.24 1jbi s VAL 66 Ca 0.06 1.42 0.02 0.00 0.00 0.00 0.00 61.98 63.48 1jbi s VAL 66 Cb -0.15 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.35 1jbi s VAL 66 CO -0.11 0.18 -0.10 -0.31 0.00 0.00 0.00 175.10 174.76 1jbi s TYR 67 N -1.56 1.17 0.70 5.22 2.02 -0.16 -0.59 117.35 124.16 1jbi s TYR 67 Ca 0.45 -0.35 -0.16 0.00 -0.37 0.00 0.00 57.07 56.64 1jbi s TYR 67 Cb -0.17 -0.85 0.02 0.00 -0.40 0.00 0.00 41.96 40.56 1jbi s TYR 67 CO 0.22 -0.17 1.27 -1.54 -1.57 0.00 0.00 175.55 173.75 1jbi s SER 68 N 0.40 4.24 0.02 2.29 1.04 0.09 -1.80 113.70 119.98 1jbi s SER 68 Ca -0.08 2.55 0.02 0.00 0.48 0.00 0.00 55.95 58.92 1jbi s SER 68 Cb -0.12 -2.61 -0.01 0.00 0.10 0.00 0.00 66.02 63.38 1jbi s SER 68 CO 0.02 -2.24 -0.06 -0.22 0.98 0.00 0.00 173.24 171.71 1jbi s LEU 69 N -4.82 2.13 1.11 2.42 0.20 -0.92 -4.70 118.68 114.11 1jbi s LEU 69 Ca 0.80 -0.32 -0.13 0.00 0.69 0.00 0.00 54.13 55.18 1jbi s LEU 69 Cb -0.35 -0.20 0.25 0.00 -0.43 0.00 0.00 46.19 45.46 1jbi s LEU 69 CO 0.43 -0.07 1.05 -2.16 -0.29 0.00 0.00 176.35 175.31 1jbi s PRO 70 N -0.84 -0.48 0.28 0.98 0.04 -1.26 -3.74 135.00 129.98 1jbi s PRO 70 Ca -0.04 0.75 -0.30 0.00 0.04 0.00 0.00 61.00 61.45 1jbi s PRO 70 Cb -0.06 -1.61 -0.13 0.00 0.04 0.00 0.00 34.50 32.74 1jbi s PRO 70 CO 0.00 -3.40 1.44 0.41 0.04 0.00 0.00 177.00 175.49 1jbi n GLY 71 N 0.19 0.91 3.20 0.56 0.00 -1.26 -4.09 105.19 104.70 1jbi n GLY 71 Ca 0.04 0.45 -0.12 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.73 1.07 0.08 1.61 0.52 -1.18 -4.92 118.95 115.40 1jbi s ARG 72 Ca 0.64 -1.53 0.01 0.00 -0.52 0.00 0.00 55.73 54.34 1jbi s ARG 72 Cb -0.59 0.04 -0.00 0.00 0.52 0.00 0.00 34.95 34.92 1jbi s ARG 72 CO 0.52 -0.24 0.08 -0.85 0.02 0.00 0.00 175.30 174.82 1jbi n GLU 73 N -0.20 0.11 -3.65 3.54 0.00 -1.26 -2.10 120.64 117.08 1jbi n GLU 73 Ca -0.04 -0.77 -0.24 0.00 0.00 0.00 0.00 57.16 56.12 1jbi n GLU 73 Cb 0.64 0.65 0.06 0.00 0.00 0.00 0.00 31.44 32.80 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 -2.54 -4.58 -4.02 -1.84 3.02 -1.26 -4.95 115.26 99.09 1jbi n ASN 74 Ca 0.01 -0.64 -0.30 0.00 -0.03 0.00 0.00 54.58 53.63 1jbi n ASN 74 Cb 0.14 -4.69 0.21 0.00 -0.61 0.00 0.00 39.78 34.84 1jbi n ASN 74 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1jbi s TYR 75 N -3.36 1.06 0.21 3.10 1.51 -1.26 -5.08 117.35 113.52 1jbi s TYR 75 Ca 0.42 0.48 -0.01 0.00 -1.01 0.00 0.00 57.07 56.95 1jbi s TYR 75 Cb -0.20 -3.66 -0.04 0.00 -0.11 0.00 0.00 41.96 37.96 1jbi s TYR 75 CO 0.76 -3.33 0.16 -1.12 -1.11 0.00 0.00 175.55 170.91 1jbi s SER 76 N -4.22 0.26 -0.05 2.29 0.01 -1.26 -4.85 113.70 105.88 1jbi s SER 76 Ca 0.71 -1.40 0.05 0.00 1.31 0.00 0.00 55.95 56.62 1jbi s SER 76 Cb -0.08 0.40 -0.02 0.00 0.21 0.00 0.00 66.02 66.53 1jbi s SER 76 CO 0.55 -0.87 -0.21 -0.44 0.41 0.00 0.00 173.24 172.68 1jbi s SER 77 N -3.17 3.46 -0.04 2.44 0.01 -1.26 -2.92 113.70 112.21 1jbi s SER 77 Ca 0.38 -0.38 -0.16 0.00 1.31 0.00 0.00 55.95 57.10 1jbi s SER 77 Cb 0.06 -0.79 0.03 0.00 0.21 0.00 0.00 66.02 65.53 1jbi s SER 77 CO 0.13 0.29 0.36 -0.69 0.41 0.00 0.00 173.24 173.74 1jbi s VAL 78 N -0.40 0.04 0.01 3.43 1.01 -0.74 -4.99 120.40 118.76 1jbi s VAL 78 Ca 0.04 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1jbi s VAL 78 Cb -0.12 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 1jbi s VAL 78 CO 0.02 -0.18 0.09 -0.62 0.00 0.00 0.00 175.10 174.41 1jbi s ASP 79 N -1.00 5.71 -0.13 3.32 -1.08 -1.26 -0.95 116.67 121.29 1jbi s ASP 79 Ca -0.11 0.14 -0.08 0.00 -0.52 0.00 0.00 52.55 51.98 1jbi s ASP 79 Cb -0.04 -1.64 0.04 0.00 -1.46 0.00 0.00 42.92 39.82 1jbi s ASP 79 CO 0.04 0.25 0.31 0.00 0.52 0.00 0.00 175.17 176.29 1jbi s ALA 80 N -1.24 -0.75 -1.18 3.66 0.00 -0.60 -4.92 121.76 116.73 1jbi s ALA 80 Ca 0.25 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1jbi s ALA 80 Cb -0.12 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.33 1jbi s ALA 80 CO 0.16 -0.20 0.00 0.09 0.00 0.00 0.00 175.76 175.81 1jbi n ASN 81 N 3.79 -3.41 -0.50 0.00 3.02 -1.26 -2.09 115.26 114.80 1jbi n ASN 81 Ca -0.21 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 1jbi n ASN 81 Cb 0.55 -3.10 0.00 0.00 -0.61 0.00 0.00 39.78 36.62 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 -0.44 0.94 2.88 7.41 0.00 -1.26 -5.04 105.19 109.67 1jbi n GLY 82 Ca -0.13 -0.63 -0.15 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.94 -0.13 -0.18 -0.61 1.01 -0.89 -5.11 121.20 112.34 1jbi s ILE 83 Ca 0.00 0.26 -0.08 0.00 0.00 0.00 0.00 60.65 60.83 1jbi s ILE 83 Cb 0.00 -0.25 -0.04 0.00 0.01 0.00 0.00 42.46 42.18 1jbi s ILE 83 CO 0.00 0.11 0.07 -1.58 0.00 0.00 0.00 174.94 173.54 1jbi s GLN 84 N 1.64 4.00 -0.19 2.79 2.00 -1.26 -1.55 119.66 127.08 1jbi s GLN 84 Ca -0.04 -0.33 -0.07 0.00 -2.00 0.00 0.00 55.36 52.92 1jbi s GLN 84 Cb -0.12 -3.23 -0.04 0.00 0.80 0.00 0.00 33.01 30.42 1jbi s GLN 84 CO -0.06 0.28 0.07 -1.54 -0.50 0.00 0.00 175.29 173.54 1jbi s SER 85 N 0.35 5.60 -0.02 6.67 1.04 -0.13 -2.90 113.70 124.31 1jbi s SER 85 Ca 0.04 0.06 0.04 0.00 0.48 0.00 0.00 55.95 56.56 1jbi s SER 85 Cb -0.12 -1.96 -0.03 0.00 0.10 0.00 0.00 66.02 64.00 1jbi s SER 85 CO -0.00 0.15 -0.13 0.00 0.98 0.00 0.00 173.24 174.24 1jbi s GLN 86 N 0.51 2.42 0.95 4.02 -2.07 -0.60 -1.78 119.66 123.10 1jbi s GLN 86 Ca 0.03 -0.76 -0.11 0.00 -1.82 0.00 0.00 55.36 52.70 1jbi s GLN 86 Cb -0.13 -2.36 0.14 0.00 -1.09 0.00 0.00 33.01 29.57 1jbi s GLN 86 CO 0.01 0.60 1.00 0.00 -1.32 0.00 0.00 175.29 175.58 1jbi n MET 87 N 1.97 -0.62 -4.26 9.60 0.00 -1.15 -0.54 117.12 122.13 1jbi n MET 87 Ca -0.17 -0.12 -0.14 0.00 0.00 0.00 0.00 57.70 57.27 1jbi n MET 87 Cb 0.52 -2.27 -0.10 0.00 0.00 0.00 0.00 33.22 31.38 1jbi n MET 87 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1jbi s LEU 88 N -5.67 1.56 -1.12 3.17 1.02 -1.26 -4.83 118.68 111.54 1jbi s LEU 88 Ca 0.65 -1.34 -0.09 0.00 0.02 0.00 0.00 54.13 53.37 1jbi s LEU 88 Cb -0.23 0.14 0.28 0.00 0.02 0.00 0.00 46.19 46.40 1jbi s LEU 88 CO 0.60 -0.74 1.14 -1.54 0.02 0.00 0.00 176.35 175.83 1jbi n SER 89 N -0.35 5.55 -3.05 2.29 3.41 -1.26 -4.40 113.62 115.81 1jbi n SER 89 Ca -0.01 -3.05 -0.11 0.00 -0.26 0.00 0.00 58.87 55.44 1jbi n SER 89 Cb 0.66 -1.38 0.05 0.00 -0.26 0.00 0.00 64.21 63.27 1jbi n SER 89 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1jbi n ARG 90 N 2.74 -1.87 -2.71 4.33 0.63 -1.26 -4.94 116.66 113.58 1jbi n ARG 90 Ca 0.25 0.90 -0.42 0.00 -0.92 0.00 0.00 57.85 57.66 1jbi n ARG 90 Cb 0.39 -5.41 -0.03 0.00 0.45 0.00 0.00 32.46 27.85 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 -3.29 2.63 0.00 -0.14 -0.11 -0.89 -4.91 118.94 112.23 1jbi s TRP 91 Ca 0.34 0.02 0.00 0.00 1.22 0.00 0.00 56.10 57.68 1jbi s TRP 91 Cb -0.04 -4.34 0.00 0.00 -1.50 0.00 0.00 33.47 27.59 1jbi s TRP 91 CO 0.67 -1.60 1.32 0.43 -4.62 0.00 0.00 176.95 173.15 1jbi n SER 92 N 8.13 3.73 -3.36 5.86 7.64 -1.26 -3.09 113.62 131.26 1jbi n SER 92 Ca 0.03 -2.08 -0.14 0.00 1.01 0.00 0.00 58.87 57.69 1jbi n SER 92 Cb 0.48 -0.71 -0.08 0.00 -1.01 0.00 0.00 64.21 62.89 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 0.05 -0.77 0.34 -0.43 0.00 -1.26 -4.16 121.76 115.53 1jbi s ALA 93 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 51.96 51.95 1jbi s ALA 93 Cb 0.00 -1.89 -0.05 0.00 0.00 0.00 0.00 23.12 21.18 1jbi s ALA 93 CO 0.00 -1.70 0.09 -1.12 0.00 0.00 0.00 175.76 173.03 1jbi s SER 94 N 2.44 2.27 0.31 0.00 0.01 -1.25 -1.19 113.70 116.29 1jbi s SER 94 Ca 0.10 -1.46 -0.12 0.00 1.31 0.00 0.00 55.95 55.77 1jbi s SER 94 Cb -0.13 0.13 0.01 0.00 0.21 0.00 0.00 66.02 66.24 1jbi s SER 94 CO -0.31 -0.72 0.57 0.72 0.41 0.00 0.00 173.24 173.92 1jbi s PHE 95 N -3.36 0.42 0.00 2.43 -0.71 0.30 -2.16 117.98 114.90 1jbi s PHE 95 Ca 0.33 -0.83 0.01 0.00 -1.04 0.00 0.00 56.93 55.41 1jbi s PHE 95 Cb 0.07 0.33 -0.01 0.00 -1.21 0.00 0.00 43.02 42.20 1jbi s PHE 95 CO 0.15 -1.19 -0.05 -0.08 -1.34 0.00 0.00 175.22 172.71 1jbi s THR 96 N -3.40 0.38 0.25 -4.49 -1.32 -0.75 -0.51 115.64 105.81 1jbi s THR 96 Ca 0.22 -0.31 0.07 0.00 -1.21 0.00 0.00 61.69 60.46 1jbi s THR 96 Cb -0.02 -0.34 -0.04 0.00 -1.51 0.00 0.00 72.50 70.59 1jbi s THR 96 CO 0.12 0.04 0.16 0.54 -2.21 0.00 0.00 174.62 173.27 1jbi s VAL 97 N -0.27 4.30 0.38 5.08 0.11 -1.26 -0.99 120.40 127.75 1jbi s VAL 97 Ca 0.00 -1.46 -0.11 0.00 -2.93 0.00 0.00 61.98 57.48 1jbi s VAL 97 Cb -0.03 -3.32 0.04 0.00 -1.53 0.00 0.00 36.38 31.55 1jbi s VAL 97 CO -0.00 -0.34 0.70 0.35 -3.33 0.00 0.00 175.10 172.48 1jbi n THR 98 N -1.10 0.00 -2.98 5.04 -2.24 0.35 -4.97 114.28 108.39 1jbi n THR 98 Ca -0.08 -1.20 -0.24 0.00 -2.27 0.00 0.00 64.05 60.26 1jbi n THR 98 Cb 0.58 1.01 0.01 0.00 -2.10 0.00 0.00 70.33 69.83 1jbi n THR 98 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1jbi s LEU 99 N 0.00 3.68 0.00 3.22 1.43 -1.26 -0.21 118.68 125.54 1jbi s LEU 99 Ca 0.19 0.42 0.26 0.00 -1.03 0.00 0.00 54.13 53.98 1jbi s LEU 99 Cb -0.04 -3.29 0.73 0.00 0.03 0.00 0.00 46.19 43.61 1jbi s LEU 99 CO 0.14 -0.64 1.56 1.21 0.23 0.00 0.00 176.35 178.86