#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 0.53 0.99 1.79 0.00 -1.26 -5.03 121.76 118.79 1jbi s ALA 2 Ca 0.00 -1.02 -0.17 0.00 0.00 0.00 0.00 51.96 50.77 1jbi s ALA 2 Cb 0.00 0.18 0.22 0.00 0.00 0.00 0.00 23.12 23.52 1jbi s ALA 2 CO 0.00 -0.23 1.32 -1.25 0.00 0.00 0.00 175.76 175.60 1jbi s PRO 3 N -2.95 0.39 -0.30 0.00 0.04 -1.26 -4.67 135.00 126.26 1jbi s PRO 3 Ca -0.00 -0.44 -0.06 0.00 0.04 0.00 0.00 61.00 60.54 1jbi s PRO 3 Cb 0.00 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.74 1jbi s PRO 3 CO -0.05 -2.58 0.07 0.42 0.04 0.00 0.00 177.00 174.90 1jbi s ILE 4 N -3.87 3.83 -0.55 0.56 1.09 -0.25 -4.95 121.20 117.06 1jbi s ILE 4 Ca 0.75 -0.78 -0.26 0.00 -1.10 0.00 0.00 60.65 59.26 1jbi s ILE 4 Cb -0.03 -3.00 0.03 0.00 -1.06 0.00 0.00 42.46 38.40 1jbi s ILE 4 CO 0.54 0.06 1.05 0.00 -0.10 0.00 0.00 174.94 176.49 1jbi s ALA 5 N 1.47 3.10 0.15 9.38 0.00 -1.26 -2.28 121.76 132.32 1jbi s ALA 5 Ca 0.02 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.99 1jbi s ALA 5 Cb -0.17 -3.86 -0.04 0.00 0.00 0.00 0.00 23.12 19.05 1jbi s ALA 5 CO 0.02 -2.46 0.31 0.96 0.00 0.00 0.00 175.76 174.59 1jbi s ILE 6 N 4.37 5.28 -0.74 0.00 -5.25 -0.48 -4.95 121.20 119.42 1jbi s ILE 6 Ca 0.37 -0.46 0.02 0.00 -0.99 0.00 0.00 60.65 59.59 1jbi s ILE 6 Cb -0.10 -3.71 0.16 0.00 2.95 0.00 0.00 42.46 41.76 1jbi s ILE 6 CO 0.23 -0.07 0.81 1.07 -1.79 0.00 0.00 174.94 175.19 1jbi n THR 7 N -0.38 0.67 -1.06 8.37 5.66 -1.26 -3.81 114.28 122.47 1jbi n THR 7 Ca -0.05 -0.29 -0.06 0.00 -3.05 0.00 0.00 64.05 60.60 1jbi n THR 7 Cb 0.53 -0.52 -0.03 0.00 -1.55 0.00 0.00 70.33 68.77 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 -1.82 0.00 -1.84 0.00 7.35 -1.26 -4.67 117.46 115.22 1jbi n PHE 9 Ca -0.06 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.20 1jbi n PHE 9 Cb 0.47 -0.05 -0.03 0.00 0.35 0.00 0.00 39.48 40.22 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 -1.85 3.30 0.82 -2.13 2.01 -1.26 -4.85 115.64 111.67 1jbi s THR 10 Ca -0.00 0.33 -0.12 0.00 0.31 0.00 0.00 61.69 62.21 1jbi s THR 10 Cb 0.02 -3.31 0.08 0.00 0.01 0.00 0.00 72.50 69.30 1jbi s THR 10 CO 0.14 -0.14 1.16 -0.13 -0.69 0.00 0.00 174.62 174.96 1jbi s ARG 11 N 5.21 1.92 0.00 4.92 0.52 -1.26 -2.16 118.95 128.11 1jbi s ARG 11 Ca 0.85 0.19 0.03 0.00 -0.52 0.00 0.00 55.73 56.28 1jbi s ARG 11 Cb -0.32 -1.94 0.16 0.00 0.52 0.00 0.00 34.95 33.37 1jbi s ARG 11 CO 0.34 -1.64 0.75 0.41 0.02 0.00 0.00 175.30 175.18 1jbi n GLY 12 N -3.07 -0.20 0.29 -3.53 0.00 -0.09 -2.39 105.19 96.20 1jbi n GLY 12 Ca 0.08 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 1.04 -0.52 0.99 3.38 -1.42 -2.68 115.31 116.10 1jbi h LEU 13 Ca 0.00 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.54 1jbi h LEU 13 Cb 0.01 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1jbi h LEU 13 CO 0.00 1.19 -0.20 0.44 0.09 0.00 0.00 178.44 179.97 1jbi h ASP 14 N 0.88 0.00 -3.64 -0.43 5.19 -1.79 -3.41 116.42 113.22 1jbi h ASP 14 Ca 0.12 0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 55.91 1jbi h ASP 14 Cb 0.78 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 39.89 1jbi h ASP 14 CO 0.06 0.20 -0.72 -0.63 -3.12 0.00 0.00 179.24 175.03 1jbi s ILE 15 N -3.33 1.69 -0.16 0.35 1.01 -1.01 -4.89 121.20 114.85 1jbi s ILE 15 Ca 0.04 -2.42 0.15 0.00 0.00 0.00 0.00 60.65 58.41 1jbi s ILE 15 Cb 0.08 -2.21 0.35 0.00 0.01 0.00 0.00 42.46 40.69 1jbi s ILE 15 CO 0.66 -0.77 1.18 0.54 0.00 0.00 0.00 174.94 176.55 1jbi n ARG 16 N 3.87 1.33 -1.93 2.79 1.74 -1.25 -4.77 116.66 118.43 1jbi n ARG 16 Ca 0.05 -2.87 -0.33 0.00 -0.77 0.00 0.00 57.85 53.94 1jbi n ARG 16 Cb 0.37 -1.45 0.02 0.00 -1.02 0.00 0.00 32.46 30.38 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 -2.81 3.17 0.10 5.56 1.02 -1.26 -4.92 119.74 120.59 1jbi s LYS 17 Ca 0.34 1.21 -0.24 0.00 0.02 0.00 0.00 55.97 57.30 1jbi s LYS 17 Cb 0.32 -2.01 -0.08 0.00 -0.52 0.00 0.00 37.83 35.54 1jbi s LYS 17 CO -0.03 -0.93 1.39 1.49 -0.92 0.00 0.00 175.35 176.35 1jbi h GLU 18 N 0.22 -0.24 -2.86 1.68 4.81 -1.94 -3.25 114.58 113.00 1jbi h GLU 18 Ca -0.46 0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 58.67 1jbi h GLU 18 Cb 1.22 0.05 -0.20 0.00 0.63 0.00 0.00 28.75 30.45 1jbi h GLU 18 CO 0.57 -0.16 -0.21 -1.59 -0.73 0.00 0.00 179.01 176.89 1jbi s LYS 19 N -4.89 0.70 -0.26 1.92 -2.85 -1.26 -0.30 119.74 112.80 1jbi s LYS 19 Ca -0.10 -0.05 -0.28 0.00 -1.00 0.00 0.00 55.97 54.53 1jbi s LYS 19 Cb 0.06 0.32 0.17 0.00 -2.06 0.00 0.00 37.83 36.32 1jbi s LYS 19 CO 0.44 -0.19 1.27 0.00 0.10 0.00 0.00 175.35 176.98 1jbi s ALA 20 N -1.15 -2.09 0.13 0.59 0.00 -0.53 -4.99 121.76 113.71 1jbi s ALA 20 Ca -0.12 1.78 -0.11 0.00 0.00 0.00 0.00 51.96 53.52 1jbi s ALA 20 Cb -0.04 -1.39 -0.06 0.00 0.00 0.00 0.00 23.12 21.62 1jbi s ALA 20 CO 0.05 -0.23 0.47 -0.51 0.00 0.00 0.00 175.76 175.54 1jbi s ASP 21 N -0.75 6.68 0.08 0.00 1.11 -1.26 -0.88 116.67 121.66 1jbi s ASP 21 Ca 0.06 0.88 0.03 0.00 0.18 0.00 0.00 52.55 53.70 1jbi s ASP 21 Cb -0.02 -2.21 -0.03 0.00 1.07 0.00 0.00 42.92 41.73 1jbi s ASP 21 CO -0.07 0.10 -0.10 0.68 1.18 0.00 0.00 175.17 176.96 1jbi s VAL 22 N -1.51 0.88 0.09 -1.27 -7.23 0.22 -1.09 120.40 110.48 1jbi s VAL 22 Ca 0.38 -1.53 0.10 0.00 -1.81 0.00 0.00 61.98 59.11 1jbi s VAL 22 Cb -0.14 -1.22 -0.04 0.00 0.56 0.00 0.00 36.38 35.54 1jbi s VAL 22 CO 0.19 -0.51 -0.25 -0.76 -0.31 0.00 0.00 175.10 173.46 1jbi s LEU 23 N -2.27 2.35 -0.65 1.32 2.01 -0.97 -0.34 118.68 120.14 1jbi s LEU 23 Ca 0.02 -0.65 0.05 0.00 0.01 0.00 0.00 54.13 53.57 1jbi s LEU 23 Cb -0.04 -1.31 0.20 0.00 0.01 0.00 0.00 46.19 45.05 1jbi s LEU 23 CO -0.00 0.21 0.58 0.00 1.01 0.00 0.00 176.35 178.15 1jbi s PRO 25 N -1.72 4.23 0.00 0.00 0.04 -1.25 -3.44 135.00 132.86 1jbi s PRO 25 Ca 0.31 2.40 0.00 0.00 0.04 0.00 0.00 61.00 63.75 1jbi s PRO 25 Cb 0.04 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.56 1jbi s PRO 25 CO -0.11 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 176.97 1jbi n GLY 26 N 0.64 -0.24 0.00 0.56 0.00 -1.26 -4.39 105.19 100.50 1jbi n GLY 26 Ca 0.01 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.97 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 0.00 0.49 2.96 -0.02 0.00 -1.25 -4.65 105.19 102.72 1jbi n GLY 27 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.06 2.12 -1.22 0.00 0.04 -1.26 -4.38 135.00 127.24 1jbi s PRO 29 Ca 0.01 0.79 -0.11 0.00 0.04 0.00 0.00 61.00 61.73 1jbi s PRO 29 Cb -0.00 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 1jbi s PRO 29 CO 0.37 -1.63 2.37 1.28 0.04 0.00 0.00 177.00 179.43 1jbi n LEU 30 N -3.46 6.37 -0.12 -3.56 4.77 -1.26 -4.08 117.00 115.65 1jbi n LEU 30 Ca 0.07 -3.59 -0.26 0.00 -0.03 0.00 0.00 56.01 52.21 1jbi n LEU 30 Cb 0.55 -1.35 -0.11 0.00 -2.33 0.00 0.00 43.42 40.19 1jbi n LEU 30 CO 0.56 1.01 -1.09 1.21 -1.33 0.00 0.00 177.39 177.75 1jbi n GLU 31 N 4.82 0.59 -3.63 3.23 2.13 -1.26 -4.83 120.64 121.68 1jbi n GLU 31 Ca 0.58 0.37 -0.29 0.00 0.66 0.00 0.00 57.16 58.48 1jbi n GLU 31 Cb 0.25 -1.59 -0.12 0.00 0.27 0.00 0.00 31.44 30.25 1jbi n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1jbi s GLU 32 N -2.46 1.11 -0.22 5.31 2.02 -1.26 -5.06 118.70 118.15 1jbi s GLU 32 Ca -0.35 -1.89 0.01 0.00 0.02 0.00 0.00 54.97 52.76 1jbi s GLU 32 Cb 0.11 -2.04 0.05 0.00 0.10 0.00 0.00 34.13 32.35 1jbi s GLU 32 CO 0.54 -1.20 -0.09 -0.06 0.02 0.00 0.00 175.26 174.47 1jbi s PHE 33 N 0.44 2.54 0.00 1.61 0.40 -1.26 -4.87 117.98 116.84 1jbi s PHE 33 Ca 0.19 -1.75 0.06 0.00 -0.60 0.00 0.00 56.93 54.83 1jbi s PHE 33 Cb -0.21 -1.67 -0.02 0.00 0.51 0.00 0.00 43.02 41.64 1jbi s PHE 33 CO -0.02 -0.77 -0.17 0.45 0.70 0.00 0.00 175.22 175.40 1jbi s SER 34 N 1.35 2.05 0.00 1.36 0.15 -1.26 -4.73 113.70 112.62 1jbi s SER 34 Ca -0.04 -0.36 -0.12 0.00 0.70 0.00 0.00 55.95 56.13 1jbi s SER 34 Cb -0.18 -0.21 0.02 0.00 -1.71 0.00 0.00 66.02 63.94 1jbi s SER 34 CO -0.07 0.18 0.26 -0.69 1.20 0.00 0.00 173.24 174.12 1jbi s VAL 35 N -0.51 0.07 -0.07 4.45 1.01 -1.25 -1.47 120.40 122.62 1jbi s VAL 35 Ca 0.06 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 1jbi s VAL 35 Cb -0.07 -0.65 0.03 0.00 0.00 0.00 0.00 36.38 35.68 1jbi s VAL 35 CO -0.00 -0.33 -0.02 -0.31 0.00 0.00 0.00 175.10 174.44 1jbi s TYR 36 N -1.64 0.83 0.00 5.22 1.51 -1.26 -3.40 117.35 118.60 1jbi s TYR 36 Ca -0.12 -0.27 0.00 0.00 -1.01 0.00 0.00 57.07 55.67 1jbi s TYR 36 Cb -0.05 -0.85 0.00 0.00 -0.11 0.00 0.00 41.96 40.96 1jbi s TYR 36 CO 0.02 -0.33 0.00 0.41 -1.11 0.00 0.00 175.55 174.54 1jbi n GLY 37 N 4.87 -1.48 3.91 0.71 0.00 0.63 -1.23 105.19 112.59 1jbi n GLY 37 Ca -0.12 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.08 6.44 0.00 1.61 4.22 -1.22 -4.50 114.94 119.40 1jbi s ASN 38 Ca 0.00 0.48 0.00 0.00 -2.14 0.00 0.00 52.86 51.20 1jbi s ASN 38 Cb 0.00 -2.04 0.00 0.00 1.28 0.00 0.00 41.25 40.49 1jbi s ASN 38 CO 0.00 0.05 0.00 -0.38 -2.04 0.00 0.00 177.10 174.73 1jbi n ILE 39 N -0.06 0.00 -2.73 0.54 2.08 -1.26 -4.68 119.36 113.25 1jbi n ILE 39 Ca -0.03 0.00 -0.43 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 4.57 -0.26 1.39 1.01 -1.26 -4.30 120.40 121.55 1jbi s VAL 40 Ca 0.00 1.51 -0.08 0.00 0.00 0.00 0.00 61.98 63.42 1jbi s VAL 40 Cb 0.00 -4.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 1jbi s VAL 40 CO 0.00 -0.46 0.08 -0.31 0.00 0.00 0.00 175.10 174.41 1jbi s TYR 41 N 3.50 3.10 0.84 5.22 2.02 0.72 -4.03 117.35 128.72 1jbi s TYR 41 Ca 0.41 -0.44 -0.10 0.00 -0.37 0.00 0.00 57.07 56.57 1jbi s TYR 41 Cb -0.12 -2.25 0.10 0.00 -0.40 0.00 0.00 41.96 39.29 1jbi s TYR 41 CO 0.16 -0.37 1.11 0.00 -1.57 0.00 0.00 175.55 174.88 1jbi s ALA 42 N 1.61 1.84 0.38 3.71 0.00 -0.37 -0.38 121.76 128.56 1jbi s ALA 42 Ca 0.06 0.34 0.15 0.00 0.00 0.00 0.00 51.96 52.51 1jbi s ALA 42 Cb -0.15 -3.33 1.00 0.00 0.00 0.00 0.00 23.12 20.64 1jbi s ALA 42 CO 0.04 -2.23 1.82 1.03 0.00 0.00 0.00 175.76 176.41 1jbi h SER 43 N -1.47 0.52 0.40 0.00 0.87 -1.31 -0.29 113.55 112.26 1jbi h SER 43 Ca -0.44 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.17 1jbi h SER 43 Cb 1.25 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1jbi h SER 43 CO 0.48 0.18 -0.05 1.62 -0.53 0.00 0.00 176.83 178.53 1jbi h VAL 44 N 0.50 0.24 -3.82 2.23 3.04 -1.88 -0.45 116.25 116.11 1jbi h VAL 44 Ca 0.53 -0.34 -0.54 0.00 -1.01 0.00 0.00 66.70 65.34 1jbi h VAL 44 Cb 1.18 1.26 0.10 0.00 -2.01 0.00 0.00 31.29 31.82 1jbi h VAL 44 CO -0.25 0.05 0.79 -0.44 -1.01 0.00 0.00 177.57 176.70 1jbi s SER 45 N -5.72 6.38 0.50 3.17 0.01 -0.12 -4.58 113.70 113.34 1jbi s SER 45 Ca -0.03 3.00 -0.23 0.00 1.31 0.00 0.00 55.95 60.01 1jbi s SER 45 Cb 0.12 -2.66 -0.06 0.00 0.21 0.00 0.00 66.02 63.63 1jbi s SER 45 CO 0.52 -0.86 1.36 -0.55 0.41 0.00 0.00 173.24 174.12 1jbi s SER 46 N -0.05 5.58 0.10 2.44 0.15 -0.54 -0.91 113.70 120.47 1jbi s SER 46 Ca 0.54 2.76 -0.17 0.00 0.70 0.00 0.00 55.95 59.78 1jbi s SER 46 Cb -0.46 -2.64 -0.06 0.00 -1.71 0.00 0.00 66.02 61.15 1jbi s SER 46 CO 0.60 -1.36 1.57 0.40 1.20 0.00 0.00 173.24 175.64 1jbi h ILE 47 N 1.78 1.24 -0.44 6.45 2.04 -1.74 0.95 117.51 127.79 1jbi h ILE 47 Ca -0.51 -0.84 0.03 0.00 1.00 0.00 0.00 64.86 64.54 1jbi h ILE 47 Cb 1.28 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 38.53 1jbi h ILE 47 CO 0.59 0.27 0.24 0.00 0.00 0.00 0.00 178.15 179.25 1jbi h GLY 49 N 0.48 -1.54 0.64 0.00 0.00 -1.74 -0.07 103.07 100.84 1jbi h GLY 49 Ca 0.18 0.82 0.02 0.00 0.00 0.00 0.00 47.33 48.35 1jbi h GLY 49 CO -0.10 -0.44 -0.13 0.00 0.00 0.00 0.00 176.54 175.86 1jbi h ALA 50 N -0.58 -0.14 0.56 3.60 0.00 -0.67 -0.92 119.26 121.11 1jbi h ALA 50 Ca 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1jbi h ALA 50 Cb 0.28 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1jbi h ALA 50 CO -0.34 -0.62 -0.35 0.00 0.00 0.00 0.00 179.25 177.94 1jbi h ALA 51 N 0.76 -0.88 -0.54 0.00 0.00 -0.62 0.52 119.26 118.50 1jbi h ALA 51 Ca 0.05 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1jbi h ALA 51 Cb 0.29 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1jbi h ALA 51 CO -0.15 -1.01 -0.05 0.28 0.00 0.00 0.00 179.25 178.31 1jbi h VAL 52 N -0.87 1.26 -0.12 0.00 2.07 -1.05 -0.06 116.25 117.49 1jbi h VAL 52 Ca -0.07 -1.18 0.02 0.00 0.82 0.00 0.00 66.70 66.29 1jbi h VAL 52 Cb 0.71 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1jbi h VAL 52 CO 0.06 0.42 0.00 -0.74 0.02 0.00 0.00 177.57 177.33 1jbi h HIS 53 N 0.88 -0.00 0.00 1.57 6.17 -1.00 -1.14 115.15 121.63 1jbi h HIS 53 Ca 0.15 0.01 -0.00 0.00 0.71 0.00 0.00 60.37 61.24 1jbi h HIS 53 Cb 0.59 0.02 -0.00 0.00 2.52 0.00 0.00 27.41 30.54 1jbi h HIS 53 CO 0.04 -0.01 -0.00 -0.09 0.71 0.00 0.00 177.93 178.57 1jbi h ARG 54 N 0.04 0.00 0.00 5.26 9.65 -0.73 -3.43 114.38 125.18 1jbi h ARG 54 Ca 0.05 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1jbi h ARG 54 Cb 0.06 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 1jbi h ARG 54 CO -0.09 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.09 1jbi n GLY 55 N -1.23 0.71 0.35 2.80 0.00 -0.38 -4.97 105.19 102.47 1jbi n GLY 55 Ca -0.03 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.04 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 1.04 -4.02 1.61 2.07 -1.30 -3.44 116.25 112.21 1jbi h VAL 56 Ca 0.00 -0.26 -0.12 0.00 0.82 0.00 0.00 66.70 67.14 1jbi h VAL 56 Cb 0.00 0.22 -0.13 0.00 -1.52 0.00 0.00 31.29 29.86 1jbi h VAL 56 CO 0.00 0.14 -0.38 0.27 0.02 0.00 0.00 177.57 177.61 1jbi s ILE 57 N -5.67 0.06 1.01 4.57 -4.36 -1.25 -4.88 121.20 110.68 1jbi s ILE 57 Ca -0.10 -1.53 -0.15 0.00 -0.26 0.00 0.00 60.65 58.62 1jbi s ILE 57 Cb 0.19 -1.96 0.20 0.00 1.25 0.00 0.00 42.46 42.14 1jbi s ILE 57 CO 0.77 -0.28 1.17 -0.44 0.24 0.00 0.00 174.94 176.40 1jbi s SER 58 N -3.00 2.65 -1.15 4.36 0.01 -1.26 -4.36 113.70 110.95 1jbi s SER 58 Ca 0.20 0.74 -0.19 0.00 1.31 0.00 0.00 55.95 58.01 1jbi s SER 58 Cb 0.04 -1.12 -0.05 0.00 0.21 0.00 0.00 66.02 65.10 1jbi s SER 58 CO 0.02 -3.06 1.99 -3.20 0.41 0.00 0.00 173.24 169.39 1jbi n ASN 59 N -4.07 3.45 0.07 2.44 2.85 -1.26 -3.89 115.26 114.86 1jbi n ASN 59 Ca 0.10 -2.77 0.00 0.00 -0.11 0.00 0.00 54.58 51.80 1jbi n ASN 59 Cb 0.59 -1.50 0.00 0.00 1.24 0.00 0.00 39.78 40.11 1jbi n ASN 59 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1jbi n SER 60 N 8.43 -0.65 0.00 1.20 2.88 -1.26 -4.81 113.62 119.41 1jbi n SER 60 Ca 0.49 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 58.30 1jbi n SER 60 Cb 0.42 0.77 0.00 0.00 -0.75 0.00 0.00 64.21 64.65 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 0.47 -1.59 0.00 0.46 0.00 -1.25 -2.49 105.19 100.79 1jbi n GLY 61 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.70 0.57 3.76 -0.02 0.00 -1.22 -4.74 105.19 102.84 1jbi n GLY 62 Ca 0.00 -1.71 -0.40 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.42 4.61 0.20 1.61 0.04 -1.26 -2.11 135.00 136.67 1jbi s PRO 63 Ca 0.00 1.85 -0.09 0.00 0.04 0.00 0.00 61.00 62.80 1jbi s PRO 63 Cb 0.00 -3.18 -0.01 0.00 0.04 0.00 0.00 34.50 31.35 1jbi s PRO 63 CO 0.00 0.17 0.33 0.08 0.04 0.00 0.00 177.00 177.62 1jbi s VAL 64 N -1.14 0.03 -0.09 -0.36 1.01 0.54 -4.19 120.40 116.20 1jbi s VAL 64 Ca 0.45 -1.50 -0.02 0.00 0.00 0.00 0.00 61.98 60.91 1jbi s VAL 64 Cb -0.33 -2.10 0.04 0.00 0.00 0.00 0.00 36.38 33.99 1jbi s VAL 64 CO 0.42 -0.13 0.03 -0.60 0.00 0.00 0.00 175.10 174.83 1jbi s ARG 65 N -4.02 0.34 0.28 2.72 3.52 -0.23 -0.61 118.95 120.95 1jbi s ARG 65 Ca 0.23 0.11 -0.18 0.00 -0.13 0.00 0.00 55.73 55.76 1jbi s ARG 65 Cb 0.02 -1.06 -0.09 0.00 -1.56 0.00 0.00 34.95 32.26 1jbi s ARG 65 CO 0.06 -0.39 0.76 0.08 -0.81 0.00 0.00 175.30 174.99 1jbi s VAL 66 N 2.04 4.57 -0.15 7.11 1.01 -0.05 -0.39 120.40 134.54 1jbi s VAL 66 Ca 0.04 1.21 -0.02 0.00 0.00 0.00 0.00 61.98 63.21 1jbi s VAL 66 Cb -0.13 -3.76 0.05 0.00 0.00 0.00 0.00 36.38 32.54 1jbi s VAL 66 CO -0.05 0.01 0.01 -0.31 0.00 0.00 0.00 175.10 174.76 1jbi s TYR 67 N -1.75 1.05 0.88 5.22 1.51 -0.18 -1.46 117.35 122.62 1jbi s TYR 67 Ca 0.49 -0.69 -0.10 0.00 -1.01 0.00 0.00 57.07 55.75 1jbi s TYR 67 Cb -0.14 -1.02 0.12 0.00 -0.11 0.00 0.00 41.96 40.82 1jbi s TYR 67 CO 0.19 -0.53 1.12 -1.54 -1.11 0.00 0.00 175.55 173.69 1jbi s SER 68 N 1.85 3.34 -0.01 2.29 1.04 0.58 -0.57 113.70 122.22 1jbi s SER 68 Ca 0.01 2.04 0.01 0.00 0.48 0.00 0.00 55.95 58.50 1jbi s SER 68 Cb -0.15 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1jbi s SER 68 CO -0.07 -2.81 -0.05 -0.22 0.98 0.00 0.00 173.24 171.07 1jbi s LEU 69 N -6.41 1.86 0.00 2.42 0.20 0.19 -4.71 118.68 112.22 1jbi s LEU 69 Ca 0.65 -0.09 -0.20 0.00 0.69 0.00 0.00 54.13 55.18 1jbi s LEU 69 Cb -0.21 -0.28 0.30 0.00 -0.43 0.00 0.00 46.19 45.57 1jbi s LEU 69 CO 0.58 0.04 1.01 -0.81 -0.29 0.00 0.00 176.35 176.87 1jbi n PRO 70 N 3.18 -3.34 -1.66 0.98 -0.04 -1.26 -3.30 135.00 129.57 1jbi n PRO 70 Ca -0.16 -1.62 -0.49 0.00 -0.04 0.00 0.00 63.50 61.20 1jbi n PRO 70 Cb 0.57 -1.60 -0.05 0.00 -0.04 0.00 0.00 33.50 32.38 1jbi n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jbi n GLY 71 N -4.61 1.04 3.29 0.55 0.00 -1.26 -4.61 105.19 99.59 1jbi n GLY 71 Ca 0.14 0.73 -0.15 0.00 0.00 0.00 0.00 46.02 46.74 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 1.74 1.27 0.34 1.61 0.52 -1.25 -5.01 118.95 118.17 1jbi s ARG 72 Ca 0.85 -1.65 -0.16 0.00 -0.52 0.00 0.00 55.73 54.25 1jbi s ARG 72 Cb -0.77 -0.34 0.03 0.00 0.52 0.00 0.00 34.95 34.39 1jbi s ARG 72 CO 0.45 -0.18 0.71 -1.83 0.02 0.00 0.00 175.30 174.47 1jbi s GLU 73 N -3.94 2.01 -1.27 3.54 -1.05 -1.26 -2.66 118.70 114.06 1jbi s GLU 73 Ca 0.30 -1.31 -0.17 0.00 -0.15 0.00 0.00 54.97 53.64 1jbi s GLU 73 Cb 0.07 0.59 0.01 0.00 -0.44 0.00 0.00 34.13 34.36 1jbi s GLU 73 CO 0.08 -0.92 0.58 0.09 0.95 0.00 0.00 175.26 176.05 1jbi n ASN 74 N -1.02 -2.99 -3.78 0.83 3.02 -1.26 -4.97 115.26 105.09 1jbi n ASN 74 Ca -0.06 -1.11 -0.30 0.00 -0.03 0.00 0.00 54.58 53.08 1jbi n ASN 74 Cb 0.60 -2.69 0.23 0.00 -0.61 0.00 0.00 39.78 37.31 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 -3.71 0.66 0.36 3.10 1.51 -1.26 -5.07 117.35 112.93 1jbi s TYR 75 Ca 0.30 0.32 0.04 0.00 -1.01 0.00 0.00 57.07 56.73 1jbi s TYR 75 Cb -0.13 -3.82 -0.03 0.00 -0.11 0.00 0.00 41.96 37.87 1jbi s TYR 75 CO 0.91 -3.53 0.17 -1.12 -1.11 0.00 0.00 175.55 170.87 1jbi s SER 76 N -4.41 2.12 -0.08 2.29 0.01 -1.26 -4.77 113.70 107.60 1jbi s SER 76 Ca 0.74 -1.66 0.02 0.00 1.31 0.00 0.00 55.95 56.36 1jbi s SER 76 Cb -0.05 0.48 0.02 0.00 0.21 0.00 0.00 66.02 66.67 1jbi s SER 76 CO 0.55 -0.95 -0.12 -0.44 0.41 0.00 0.00 173.24 172.69 1jbi s SER 77 N -3.48 2.03 0.01 2.44 0.01 -1.26 -2.98 113.70 110.47 1jbi s SER 77 Ca 0.32 -0.33 -0.05 0.00 1.31 0.00 0.00 55.95 57.19 1jbi s SER 77 Cb 0.03 -0.90 -0.00 0.00 0.21 0.00 0.00 66.02 65.36 1jbi s SER 77 CO 0.19 0.00 0.09 -0.69 0.41 0.00 0.00 173.24 173.24 1jbi s VAL 78 N 0.93 0.09 -0.14 3.43 1.01 -0.89 -4.95 120.40 119.87 1jbi s VAL 78 Ca -0.09 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 1jbi s VAL 78 Cb -0.15 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 1jbi s VAL 78 CO 0.00 -0.41 0.04 -0.62 0.00 0.00 0.00 175.10 174.12 1jbi s ASP 79 N -1.39 5.52 -0.10 3.32 2.15 -1.26 -1.16 116.67 123.75 1jbi s ASP 79 Ca -0.15 0.13 -0.20 0.00 0.43 0.00 0.00 52.55 52.75 1jbi s ASP 79 Cb -0.08 -1.82 0.05 0.00 -0.30 0.00 0.00 42.92 40.77 1jbi s ASP 79 CO 0.01 0.26 0.50 0.00 -0.17 0.00 0.00 175.17 175.77 1jbi s ALA 80 N -0.17 -1.26 -1.61 3.66 0.00 -0.25 -4.95 121.76 117.18 1jbi s ALA 80 Ca 0.07 1.08 -0.18 0.00 0.00 0.00 0.00 51.96 52.93 1jbi s ALA 80 Cb -0.12 -0.34 0.16 0.00 0.00 0.00 0.00 23.12 22.81 1jbi s ALA 80 CO 0.02 -0.28 0.67 0.09 0.00 0.00 0.00 175.76 176.25 1jbi n ASN 81 N 1.84 -2.95 0.00 0.00 3.02 -1.26 -1.08 115.26 114.83 1jbi n ASN 81 Ca -0.17 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 1jbi n ASN 81 Cb 0.56 -2.45 0.00 0.00 -0.61 0.00 0.00 39.78 37.29 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 -1.24 0.68 3.33 7.41 0.00 -1.26 -4.87 105.19 109.23 1jbi n GLY 82 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.62 2.52 -0.10 -0.61 1.01 -0.24 -5.08 121.20 116.07 1jbi s ILE 83 Ca 0.00 -0.88 -0.04 0.00 0.00 0.00 0.00 60.65 59.73 1jbi s ILE 83 Cb 0.00 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 1jbi s ILE 83 CO 0.00 0.56 0.06 -1.58 0.00 0.00 0.00 174.94 173.98 1jbi s GLN 84 N -0.02 3.21 0.07 2.79 2.00 -1.26 -1.09 119.66 125.36 1jbi s GLN 84 Ca -0.06 -0.28 0.09 0.00 -2.00 0.00 0.00 55.36 53.10 1jbi s GLN 84 Cb -0.15 -2.98 -0.03 0.00 0.80 0.00 0.00 33.01 30.65 1jbi s GLN 84 CO 0.05 0.72 -0.23 -1.54 -0.50 0.00 0.00 175.29 173.79 1jbi s SER 85 N -0.90 2.79 0.05 6.67 1.04 -0.31 -3.87 113.70 119.17 1jbi s SER 85 Ca 0.14 -0.61 0.03 0.00 0.48 0.00 0.00 55.95 55.99 1jbi s SER 85 Cb -0.12 -0.21 -0.02 0.00 0.10 0.00 0.00 66.02 65.76 1jbi s SER 85 CO 0.03 0.17 -0.09 0.00 0.98 0.00 0.00 173.24 174.33 1jbi s GLN 86 N -1.48 0.59 1.19 4.02 0.00 -1.22 -2.10 119.66 120.66 1jbi s GLN 86 Ca 0.09 -0.79 -0.14 0.00 -0.00 0.00 0.00 55.36 54.52 1jbi s GLN 86 Cb -0.10 -0.40 0.27 0.00 0.00 0.00 0.00 33.01 32.78 1jbi s GLN 86 CO 0.03 0.08 0.80 0.00 0.00 0.00 0.00 175.29 176.20 1jbi n MET 87 N 1.45 -2.51 -4.19 9.60 0.00 -1.16 -0.27 117.12 120.05 1jbi n MET 87 Ca -0.22 -0.71 -0.12 0.00 0.00 0.00 0.00 57.70 56.65 1jbi n MET 87 Cb 0.55 -2.06 -0.09 0.00 0.00 0.00 0.00 33.22 31.61 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 -6.14 1.12 -1.14 3.17 1.02 -1.26 -4.77 118.68 110.67 1jbi s LEU 88 Ca 0.66 -1.38 -0.12 0.00 0.02 0.00 0.00 54.13 53.32 1jbi s LEU 88 Cb -0.23 0.52 0.22 0.00 0.02 0.00 0.00 46.19 46.71 1jbi s LEU 88 CO 0.66 -0.88 1.26 -0.94 0.02 0.00 0.00 176.35 176.47 1jbi s SER 89 N -3.16 7.15 -1.05 2.29 1.04 -1.26 -4.46 113.70 114.25 1jbi s SER 89 Ca 0.38 -3.20 -0.12 0.00 0.48 0.00 0.00 55.95 53.48 1jbi s SER 89 Cb 0.06 -2.31 -0.03 0.00 0.10 0.00 0.00 66.02 63.84 1jbi s SER 89 CO 0.13 -0.56 0.82 -1.14 0.98 0.00 0.00 173.24 173.47 1jbi n ARG 90 N 4.39 -1.62 -2.74 4.02 0.63 -1.26 -4.94 116.66 115.14 1jbi n ARG 90 Ca 0.30 0.73 -0.43 0.00 -0.92 0.00 0.00 57.85 57.53 1jbi n ARG 90 Cb 0.42 -4.85 -0.03 0.00 0.45 0.00 0.00 32.46 28.45 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 -3.37 2.78 -0.01 -0.14 -0.11 -1.09 -4.87 118.94 112.14 1jbi s TRP 91 Ca 0.40 0.28 0.00 0.00 1.22 0.00 0.00 56.10 58.00 1jbi s TRP 91 Cb -0.10 -4.19 0.01 0.00 -1.50 0.00 0.00 33.47 27.69 1jbi s TRP 91 CO 0.81 -1.33 1.40 0.43 -4.62 0.00 0.00 176.95 173.63 1jbi n SER 92 N 7.67 3.93 -3.37 5.86 7.64 -1.26 -3.77 113.62 130.32 1jbi n SER 92 Ca 0.06 -2.19 -0.16 0.00 1.01 0.00 0.00 58.87 57.58 1jbi n SER 92 Cb 0.48 -0.74 -0.08 0.00 -1.01 0.00 0.00 64.21 62.86 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 -0.09 -0.51 0.22 -0.43 0.00 -1.26 -4.68 121.76 115.01 1jbi s ALA 93 Ca 0.01 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.30 1jbi s ALA 93 Cb 0.01 -1.98 -0.05 0.00 0.00 0.00 0.00 23.12 21.10 1jbi s ALA 93 CO 0.00 -1.98 0.08 -1.12 0.00 0.00 0.00 175.76 172.74 1jbi s SER 94 N 1.80 0.94 0.34 0.00 0.01 -1.21 -0.88 113.70 114.70 1jbi s SER 94 Ca 0.14 -1.33 -0.17 0.00 1.31 0.00 0.00 55.95 55.90 1jbi s SER 94 Cb -0.15 0.20 0.04 0.00 0.21 0.00 0.00 66.02 66.33 1jbi s SER 94 CO -0.14 -0.72 0.73 0.72 0.41 0.00 0.00 173.24 174.24 1jbi s PHE 95 N -3.83 0.07 -0.04 2.43 -0.71 0.49 -0.64 117.98 115.75 1jbi s PHE 95 Ca 0.35 -0.63 -0.04 0.00 -1.04 0.00 0.00 56.93 55.56 1jbi s PHE 95 Cb 0.07 0.71 0.01 0.00 -1.21 0.00 0.00 43.02 42.61 1jbi s PHE 95 CO 0.11 -1.40 0.11 -0.08 -1.34 0.00 0.00 175.22 172.61 1jbi s THR 96 N -3.00 0.01 0.24 -4.49 -1.32 0.27 -0.20 115.64 107.14 1jbi s THR 96 Ca 0.15 -0.05 0.07 0.00 -1.21 0.00 0.00 61.69 60.65 1jbi s THR 96 Cb -0.05 -0.18 -0.04 0.00 -1.51 0.00 0.00 72.50 70.73 1jbi s THR 96 CO 0.10 -0.03 0.16 0.54 -2.21 0.00 0.00 174.62 173.19 1jbi s VAL 97 N -0.03 4.32 0.37 5.08 0.11 -1.26 -1.01 120.40 127.97 1jbi s VAL 97 Ca -0.01 -1.42 -0.03 0.00 -2.93 0.00 0.00 61.98 57.59 1jbi s VAL 97 Cb -0.01 -3.31 0.01 0.00 -1.53 0.00 0.00 36.38 31.54 1jbi s VAL 97 CO 0.00 -0.31 0.53 0.42 -3.33 0.00 0.00 175.10 172.41 1jbi s THR 98 N -2.09 0.00 0.76 5.04 -4.23 0.48 -4.96 115.64 110.64 1jbi s THR 98 Ca 0.32 -1.52 -0.11 0.00 -1.18 0.00 0.00 61.69 59.20 1jbi s THR 98 Cb -0.08 -2.73 0.05 0.00 1.34 0.00 0.00 72.50 71.07 1jbi s THR 98 CO 0.24 0.00 1.08 -0.76 -0.54 0.00 0.00 174.62 174.64 1jbi s LEU 99 N -3.24 2.88 0.00 4.79 1.43 -1.26 -1.06 118.68 122.21 1jbi s LEU 99 Ca 0.29 1.56 0.29 0.00 -1.03 0.00 0.00 54.13 55.25 1jbi s LEU 99 Cb -0.01 -4.29 1.35 0.00 0.03 0.00 0.00 46.19 43.27 1jbi s LEU 99 CO 0.21 -1.83 1.91 1.21 0.23 0.00 0.00 176.35 178.08