#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 0.57 1.37 1.79 0.00 -1.26 -5.17 121.76 119.06 1jbi s ALA 2 Ca 0.00 -1.05 -0.23 0.00 0.00 0.00 0.00 51.96 50.68 1jbi s ALA 2 Cb 0.00 0.18 0.34 0.00 0.00 0.00 0.00 23.12 23.64 1jbi s ALA 2 CO 0.00 -0.23 0.98 -0.35 0.00 0.00 0.00 175.76 176.16 1jbi n PRO 3 N 0.59 -4.02 -3.75 0.00 -0.04 -1.26 -4.96 135.00 121.57 1jbi n PRO 3 Ca -0.17 -1.60 -0.38 0.00 -0.04 0.00 0.00 63.50 61.31 1jbi n PRO 3 Cb 0.59 -1.76 -0.12 0.00 -0.04 0.00 0.00 33.50 32.16 1jbi n PRO 3 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1jbi s ILE 4 N -2.54 3.96 -0.77 0.52 1.09 0.16 -5.01 121.20 118.61 1jbi s ILE 4 Ca 0.69 -0.79 -0.24 0.00 -1.10 0.00 0.00 60.65 59.20 1jbi s ILE 4 Cb -0.09 -3.09 0.06 0.00 -1.06 0.00 0.00 42.46 38.27 1jbi s ILE 4 CO 0.55 0.01 1.19 0.00 -0.10 0.00 0.00 174.94 176.59 1jbi s ALA 5 N 1.48 2.92 0.42 9.38 0.00 -1.26 -2.79 121.76 131.91 1jbi s ALA 5 Ca 0.02 -1.79 0.06 0.00 0.00 0.00 0.00 51.96 50.25 1jbi s ALA 5 Cb -0.18 -4.15 0.01 0.00 0.00 0.00 0.00 23.12 18.80 1jbi s ALA 5 CO 0.03 -3.14 0.58 0.96 0.00 0.00 0.00 175.76 174.18 1jbi s ILE 6 N 4.80 3.34 -0.25 0.00 -5.25 -1.08 -4.98 121.20 117.78 1jbi s ILE 6 Ca 0.32 -0.91 0.11 0.00 -0.99 0.00 0.00 60.65 59.18 1jbi s ILE 6 Cb -0.09 -3.16 0.46 0.00 2.95 0.00 0.00 42.46 42.62 1jbi s ILE 6 CO 0.07 -0.07 1.35 1.07 -1.79 0.00 0.00 174.94 175.57 1jbi n THR 7 N -1.88 2.37 -1.11 8.37 5.66 -1.26 -4.36 114.28 122.07 1jbi n THR 7 Ca 0.05 -2.87 -0.06 0.00 -3.05 0.00 0.00 64.05 58.12 1jbi n THR 7 Cb 0.59 -0.28 -0.03 0.00 -1.55 0.00 0.00 70.33 69.06 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 -1.94 0.00 -1.73 0.00 -0.00 -1.26 -4.52 117.46 108.01 1jbi n PHE 9 Ca -0.06 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 56.97 1jbi n PHE 9 Cb 0.50 -0.06 -0.02 0.00 -0.00 0.00 0.00 39.48 39.91 1jbi n PHE 9 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 1jbi n THR 10 N -1.49 1.07 -3.54 -2.13 -1.04 -1.26 -4.84 114.28 101.05 1jbi n THR 10 Ca -0.00 -0.27 -0.22 0.00 -2.04 0.00 0.00 64.05 61.52 1jbi n THR 10 Cb 0.08 -1.88 -0.01 0.00 -1.82 0.00 0.00 70.33 66.70 1jbi n THR 10 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1jbi s ARG 11 N -0.58 2.46 0.00 -2.82 0.52 -1.26 -1.43 118.95 115.84 1jbi s ARG 11 Ca 0.64 -1.64 0.12 0.00 -0.52 0.00 0.00 55.73 54.33 1jbi s ARG 11 Cb -0.52 -2.37 0.66 0.00 0.52 0.00 0.00 34.95 33.24 1jbi s ARG 11 CO 0.50 -0.37 1.26 0.41 0.02 0.00 0.00 175.30 177.12 1jbi n GLY 12 N -1.70 -0.59 0.27 -3.53 0.00 0.16 -1.77 105.19 98.04 1jbi n GLY 12 Ca 0.04 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 0.97 0.24 0.99 3.38 -1.25 -3.35 115.31 116.29 1jbi h LEU 13 Ca 0.00 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 1jbi h LEU 13 Cb 0.08 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1jbi h LEU 13 CO 0.00 1.17 -0.12 0.44 0.09 0.00 0.00 178.44 180.03 1jbi h ASP 14 N 0.79 -0.27 -3.24 -0.43 3.32 -1.66 -3.42 116.42 111.50 1jbi h ASP 14 Ca 0.09 -0.14 -0.75 0.00 0.02 0.00 0.00 57.03 56.25 1jbi h ASP 14 Cb 0.85 0.07 -0.26 0.00 0.22 0.00 0.00 39.33 40.21 1jbi h ASP 14 CO 0.07 0.23 -0.24 -0.63 -1.72 0.00 0.00 179.24 176.96 1jbi s ILE 15 N -3.01 4.95 -0.27 0.35 1.01 -1.22 -4.85 121.20 118.15 1jbi s ILE 15 Ca -0.08 -1.71 0.15 0.00 0.00 0.00 0.00 60.65 59.01 1jbi s ILE 15 Cb 0.00 -4.18 0.48 0.00 0.01 0.00 0.00 42.46 38.78 1jbi s ILE 15 CO 0.29 -0.86 1.15 0.54 0.00 0.00 0.00 174.94 176.06 1jbi n ARG 16 N 4.99 2.60 -1.41 2.79 1.74 -1.26 -4.78 116.66 121.33 1jbi n ARG 16 Ca -0.09 -3.80 -0.29 0.00 -0.77 0.00 0.00 57.85 52.90 1jbi n ARG 16 Cb 0.41 -1.91 0.14 0.00 -1.02 0.00 0.00 32.46 30.09 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 -3.65 1.00 0.43 5.56 1.02 -1.26 -4.91 119.74 117.93 1jbi s LYS 17 Ca 0.39 0.40 0.13 0.00 0.02 0.00 0.00 55.97 56.91 1jbi s LYS 17 Cb 0.36 -1.81 1.01 0.00 -0.52 0.00 0.00 37.83 36.87 1jbi s LYS 17 CO -0.00 -2.32 1.99 1.49 -0.92 0.00 0.00 175.35 175.58 1jbi h GLU 18 N -1.59 0.41 -2.41 1.68 4.81 -1.98 -3.36 114.58 112.15 1jbi h GLU 18 Ca -0.51 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 58.63 1jbi h GLU 18 Cb 1.32 -0.09 -0.18 0.00 0.63 0.00 0.00 28.75 30.44 1jbi h GLU 18 CO 0.60 0.27 0.11 -1.59 -0.73 0.00 0.00 179.01 177.67 1jbi s LYS 19 N -5.40 1.04 -0.19 1.92 -2.85 -1.26 -0.54 119.74 112.46 1jbi s LYS 19 Ca -0.08 0.01 -0.12 0.00 -1.00 0.00 0.00 55.97 54.78 1jbi s LYS 19 Cb 0.19 0.48 0.06 0.00 -2.06 0.00 0.00 37.83 36.51 1jbi s LYS 19 CO 0.75 -0.35 0.47 0.00 0.10 0.00 0.00 175.35 176.32 1jbi s ALA 20 N -1.82 -1.22 -0.36 0.59 0.00 -0.08 -4.97 121.76 113.89 1jbi s ALA 20 Ca -0.08 1.65 -0.18 0.00 0.00 0.00 0.00 51.96 53.35 1jbi s ALA 20 Cb -0.01 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 22.13 1jbi s ALA 20 CO 0.04 -0.28 0.51 -0.51 0.00 0.00 0.00 175.76 175.52 1jbi s ASP 21 N 1.20 6.30 0.27 0.00 1.01 -1.26 -0.77 116.67 123.42 1jbi s ASP 21 Ca -0.08 -0.13 0.09 0.00 0.71 0.00 0.00 52.55 53.15 1jbi s ASP 21 Cb -0.07 -2.26 -0.05 0.00 1.01 0.00 0.00 42.92 41.55 1jbi s ASP 21 CO -0.11 -0.51 -0.14 0.68 0.21 0.00 0.00 175.17 175.30 1jbi s VAL 22 N 2.39 2.07 -0.07 -1.27 -7.23 0.03 -0.67 120.40 115.65 1jbi s VAL 22 Ca 0.18 -2.27 0.02 0.00 -1.81 0.00 0.00 61.98 58.10 1jbi s VAL 22 Cb -0.16 -2.30 0.02 0.00 0.56 0.00 0.00 36.38 34.50 1jbi s VAL 22 CO 0.14 -0.41 -0.10 -0.76 -0.31 0.00 0.00 175.10 173.65 1jbi s LEU 23 N -3.45 1.52 -0.61 1.32 2.01 -1.12 -1.40 118.68 116.95 1jbi s LEU 23 Ca 0.28 -0.27 -0.09 0.00 0.01 0.00 0.00 54.13 54.06 1jbi s LEU 23 Cb -0.01 -0.77 0.16 0.00 0.01 0.00 0.00 46.19 45.58 1jbi s LEU 23 CO 0.12 -0.00 0.48 0.00 1.01 0.00 0.00 176.35 177.96 1jbi s PRO 25 N 0.68 1.79 2.33 0.00 0.04 -1.26 -0.62 135.00 137.97 1jbi s PRO 25 Ca 0.12 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.69 1jbi s PRO 25 Cb -0.21 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1jbi s PRO 25 CO -0.03 -1.80 0.00 0.41 0.04 0.00 0.00 177.00 175.61 1jbi n GLY 26 N -2.13 -0.73 0.03 0.56 0.00 -1.26 -4.52 105.19 97.15 1jbi n GLY 26 Ca 0.07 -1.16 0.05 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.90 3.60 -0.02 0.00 -1.26 -4.01 105.19 102.60 1jbi n GLY 27 Ca 0.00 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.41 1.06 -1.29 0.00 0.04 -1.26 -4.65 135.00 125.49 1jbi s PRO 29 Ca 0.23 1.22 -0.11 0.00 0.04 0.00 0.00 61.00 62.39 1jbi s PRO 29 Cb -0.03 -1.76 -0.06 0.00 0.04 0.00 0.00 34.50 32.70 1jbi s PRO 29 CO 0.88 -2.49 2.46 1.28 0.04 0.00 0.00 177.00 179.17 1jbi n LEU 30 N -4.11 6.77 -0.00 -3.56 4.77 -1.26 -4.49 117.00 115.11 1jbi n LEU 30 Ca 0.09 -3.73 -0.00 0.00 -0.03 0.00 0.00 56.01 52.34 1jbi n LEU 30 Cb 0.53 -1.39 -0.00 0.00 -2.33 0.00 0.00 43.42 40.23 1jbi n LEU 30 CO 0.53 1.19 -0.03 1.21 -1.33 0.00 0.00 177.39 178.96 1jbi n GLU 31 N 4.63 0.03 -3.61 3.23 2.13 -1.26 -4.95 120.64 120.84 1jbi n GLU 31 Ca 0.61 0.10 -0.29 0.00 0.66 0.00 0.00 57.16 58.23 1jbi n GLU 31 Cb 0.25 -0.64 -0.15 0.00 0.27 0.00 0.00 31.44 31.18 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 -1.09 0.44 0.02 5.31 2.02 -1.26 -5.12 118.70 119.02 1jbi s GLU 32 Ca -0.01 -0.84 0.01 0.00 0.02 0.00 0.00 54.97 54.15 1jbi s GLU 32 Cb 0.00 -1.51 -0.01 0.00 0.10 0.00 0.00 34.13 32.71 1jbi s GLU 32 CO 0.02 -1.03 -0.03 -0.06 0.02 0.00 0.00 175.26 174.18 1jbi s PHE 33 N 1.79 0.28 -0.04 1.61 0.08 -1.26 -5.00 117.98 115.44 1jbi s PHE 33 Ca 0.10 -0.33 0.04 0.00 0.12 0.00 0.00 56.93 56.86 1jbi s PHE 33 Cb -0.17 -0.19 -0.00 0.00 -0.57 0.00 0.00 43.02 42.09 1jbi s PHE 33 CO -0.29 -0.10 -0.16 0.45 -0.10 0.00 0.00 175.22 175.03 1jbi s SER 34 N -0.93 2.02 0.08 1.36 0.15 -1.26 -4.86 113.70 110.26 1jbi s SER 34 Ca -0.08 -0.33 0.06 0.00 0.70 0.00 0.00 55.95 56.29 1jbi s SER 34 Cb -0.06 -0.58 -0.03 0.00 -1.71 0.00 0.00 66.02 63.63 1jbi s SER 34 CO -0.00 0.13 -0.15 -0.69 1.20 0.00 0.00 173.24 173.73 1jbi s VAL 35 N 0.10 1.23 -0.27 4.45 1.01 -1.18 -1.44 120.40 124.30 1jbi s VAL 35 Ca -0.05 -1.39 -0.03 0.00 0.00 0.00 0.00 61.98 60.52 1jbi s VAL 35 Cb -0.11 -1.20 0.09 0.00 0.00 0.00 0.00 36.38 35.16 1jbi s VAL 35 CO 0.02 -0.22 0.10 -0.31 0.00 0.00 0.00 175.10 174.69 1jbi s TYR 36 N -1.35 0.78 0.00 5.22 1.51 -1.26 -1.74 117.35 120.51 1jbi s TYR 36 Ca 0.00 -1.04 0.00 0.00 -1.01 0.00 0.00 57.07 55.03 1jbi s TYR 36 Cb -0.09 -1.11 0.00 0.00 -0.11 0.00 0.00 41.96 40.64 1jbi s TYR 36 CO 0.03 -0.77 0.00 0.41 -1.11 0.00 0.00 175.55 174.10 1jbi n GLY 37 N 5.12 -2.16 3.90 0.71 0.00 0.27 -0.77 105.19 112.26 1jbi n GLY 37 Ca -0.05 -1.33 -0.31 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.38 6.46 0.00 1.61 4.22 -1.26 -4.31 114.94 119.28 1jbi s ASN 38 Ca 0.00 0.51 0.00 0.00 -2.14 0.00 0.00 52.86 51.23 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 0.09 0.00 -0.38 -2.04 0.00 0.00 177.10 174.77 1jbi n ILE 39 N 0.16 0.00 -2.37 0.54 2.08 -1.26 -4.53 119.36 113.98 1jbi n ILE 39 Ca -0.03 0.00 -0.37 0.00 0.56 0.00 0.00 62.75 62.91 1jbi n ILE 39 Cb 0.52 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.37 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 3.69 -0.37 1.39 1.01 -1.26 -3.98 120.40 120.88 1jbi s VAL 40 Ca 0.00 -0.29 -0.21 0.00 0.00 0.00 0.00 61.98 61.48 1jbi s VAL 40 Cb 0.00 -4.64 0.01 0.00 0.00 0.00 0.00 36.38 31.75 1jbi s VAL 40 CO 0.00 -1.56 0.68 -0.31 0.00 0.00 0.00 175.10 173.92 1jbi s TYR 41 N 6.88 3.12 0.72 5.22 2.02 0.03 -4.14 117.35 131.20 1jbi s TYR 41 Ca 0.52 0.35 -0.14 0.00 -0.37 0.00 0.00 57.07 57.43 1jbi s TYR 41 Cb -0.05 -3.25 0.03 0.00 -0.40 0.00 0.00 41.96 38.29 1jbi s TYR 41 CO 0.01 -0.70 1.15 0.00 -1.57 0.00 0.00 175.55 174.45 1jbi s ALA 42 N 2.85 2.23 0.18 3.71 0.00 0.05 -0.67 121.76 130.12 1jbi s ALA 42 Ca 0.26 0.65 -0.10 0.00 0.00 0.00 0.00 51.96 52.77 1jbi s ALA 42 Cb -0.14 -3.38 0.23 0.00 0.00 0.00 0.00 23.12 19.82 1jbi s ALA 42 CO 0.16 -1.67 1.12 0.45 0.00 0.00 0.00 175.76 175.82 1jbi n SER 43 N -2.77 -0.40 0.11 0.00 2.88 -0.31 -1.23 113.62 111.89 1jbi n SER 43 Ca 0.12 1.25 0.09 0.00 -1.33 0.00 0.00 58.87 59.00 1jbi n SER 43 Cb 0.51 -0.32 0.42 0.00 -0.75 0.00 0.00 64.21 64.08 1jbi n SER 43 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1jbi n VAL 44 N -5.10 1.15 -2.05 2.46 3.14 -1.26 -0.87 118.33 115.79 1jbi n VAL 44 Ca 0.09 0.50 -0.38 0.00 -2.96 0.00 0.00 64.34 61.59 1jbi n VAL 44 Cb 0.31 -1.45 0.01 0.00 -1.06 0.00 0.00 33.84 31.65 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 -3.79 5.84 0.49 6.55 0.01 -0.37 -4.77 113.70 117.67 1jbi s SER 45 Ca 0.01 2.52 -0.23 0.00 1.31 0.00 0.00 55.95 59.56 1jbi s SER 45 Cb 0.06 -2.62 -0.06 0.00 0.21 0.00 0.00 66.02 63.61 1jbi s SER 45 CO 0.22 -1.16 1.26 -0.55 0.41 0.00 0.00 173.24 173.42 1jbi s SER 46 N -1.14 5.83 0.12 2.44 0.15 -0.52 -0.66 113.70 119.92 1jbi s SER 46 Ca 0.66 2.52 -0.13 0.00 0.70 0.00 0.00 55.95 59.70 1jbi s SER 46 Cb -0.34 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.31 1jbi s SER 46 CO 0.41 -1.17 1.49 0.40 1.20 0.00 0.00 173.24 175.57 1jbi h ILE 47 N 1.77 1.28 -0.18 6.45 2.04 -1.53 0.87 117.51 128.21 1jbi h ILE 47 Ca -0.50 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.03 1jbi h ILE 47 Cb 1.27 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 1jbi h ILE 47 CO 0.59 0.44 0.11 0.00 0.00 0.00 0.00 178.15 179.30 1jbi h GLY 49 N 0.23 -1.35 0.66 0.00 0.00 -1.84 0.07 103.07 100.83 1jbi h GLY 49 Ca 0.07 0.72 0.05 0.00 0.00 0.00 0.00 47.33 48.16 1jbi h GLY 49 CO -0.01 -0.38 0.17 0.00 0.00 0.00 0.00 176.54 176.32 1jbi h ALA 50 N -0.70 0.53 0.51 3.60 0.00 -0.75 -0.14 119.26 122.31 1jbi h ALA 50 Ca 0.03 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1jbi h ALA 50 Cb 0.36 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1jbi h ALA 50 CO -0.29 -0.21 -0.25 0.00 0.00 0.00 0.00 179.25 178.51 1jbi h ALA 51 N 1.27 -0.69 -0.29 0.00 0.00 -0.56 0.40 119.26 119.39 1jbi h ALA 51 Ca 0.20 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1jbi h ALA 51 Cb 0.16 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1jbi h ALA 51 CO -0.18 -0.79 -0.17 0.28 0.00 0.00 0.00 179.25 178.38 1jbi h VAL 52 N -0.89 1.25 0.44 0.00 2.07 -1.01 0.12 116.25 118.22 1jbi h VAL 52 Ca -0.07 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 1jbi h VAL 52 Cb 0.60 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1jbi h VAL 52 CO 0.12 0.37 -0.22 -0.74 0.02 0.00 0.00 177.57 177.11 1jbi h HIS 53 N 0.47 -0.58 -0.12 1.57 6.17 -0.94 -1.53 115.15 120.20 1jbi h HIS 53 Ca 0.08 -0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.18 1jbi h HIS 53 Cb 0.58 0.19 -0.00 0.00 2.52 0.00 0.00 27.41 30.70 1jbi h HIS 53 CO 0.02 -0.36 0.20 -0.09 0.71 0.00 0.00 177.93 178.41 1jbi h ARG 54 N -0.61 0.00 -1.41 5.26 9.65 -0.76 -3.45 114.38 123.06 1jbi h ARG 54 Ca -0.06 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.71 1jbi h ARG 54 Cb 0.47 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.06 1jbi h ARG 54 CO 0.09 0.00 -0.16 0.41 2.80 0.00 0.00 179.97 183.10 1jbi n GLY 55 N -1.31 0.29 0.38 2.80 0.00 -0.24 -4.96 105.19 102.15 1jbi n GLY 55 Ca 0.00 -0.56 -0.18 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.29 0.29 -2.81 1.61 2.07 -1.30 -3.44 116.25 112.38 1jbi h VAL 56 Ca -0.15 -0.10 -0.64 0.00 0.82 0.00 0.00 66.70 66.64 1jbi h VAL 56 Cb 1.10 0.32 -0.17 0.00 -1.52 0.00 0.00 31.29 31.02 1jbi h VAL 56 CO 0.16 0.01 -0.79 0.27 0.02 0.00 0.00 177.57 177.24 1jbi s ILE 57 N -5.74 2.45 1.08 4.57 -4.36 -1.26 -4.88 121.20 113.06 1jbi s ILE 57 Ca -0.17 -2.15 -0.17 0.00 -0.26 0.00 0.00 60.65 57.89 1jbi s ILE 57 Cb 0.03 -2.22 0.23 0.00 1.25 0.00 0.00 42.46 41.75 1jbi s ILE 57 CO 0.59 -0.22 1.19 -0.44 0.24 0.00 0.00 174.94 176.29 1jbi s SER 58 N -3.00 2.05 -0.94 4.36 0.01 -1.26 -4.30 113.70 110.62 1jbi s SER 58 Ca 0.24 0.57 -0.22 0.00 1.31 0.00 0.00 55.95 57.85 1jbi s SER 58 Cb -0.07 -0.80 -0.13 0.00 0.21 0.00 0.00 66.02 65.24 1jbi s SER 58 CO 0.12 -3.42 1.92 -3.20 0.41 0.00 0.00 173.24 169.07 1jbi n ASN 59 N -4.28 2.76 0.00 2.44 2.85 -1.26 -3.81 115.26 113.96 1jbi n ASN 59 Ca 0.13 -2.69 0.00 0.00 -0.11 0.00 0.00 54.58 51.91 1jbi n ASN 59 Cb 0.59 -1.38 0.00 0.00 1.24 0.00 0.00 39.78 40.23 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 10.57 0.00 0.00 1.20 2.88 -1.20 -4.92 113.62 122.15 1jbi n SER 60 Ca 0.47 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 1jbi n SER 60 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 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 -1.51 0.00 0.46 0.00 -1.14 -4.19 105.19 98.80 1jbi n GLY 61 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.78 0.63 3.83 -0.02 0.00 0.21 -4.82 105.19 103.24 1jbi n GLY 62 Ca 0.00 -1.84 -0.33 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.65 3.94 0.05 1.61 0.04 -1.26 -0.94 135.00 136.79 1jbi s PRO 63 Ca 0.00 1.08 -0.09 0.00 0.04 0.00 0.00 61.00 62.03 1jbi s PRO 63 Cb 0.00 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1jbi s PRO 63 CO 0.00 -0.28 0.19 0.08 0.04 0.00 0.00 177.00 177.03 1jbi s VAL 64 N -2.40 0.12 -0.05 -0.36 1.01 -0.49 -4.58 120.40 113.64 1jbi s VAL 64 Ca 0.61 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 1jbi s VAL 64 Cb -0.11 -0.99 0.03 0.00 0.00 0.00 0.00 36.38 35.31 1jbi s VAL 64 CO 0.25 -0.53 0.03 -0.60 0.00 0.00 0.00 175.10 174.26 1jbi s ARG 65 N -2.79 0.22 0.09 2.72 3.52 -0.24 -0.79 118.95 121.68 1jbi s ARG 65 Ca -0.03 0.25 -0.10 0.00 -0.13 0.00 0.00 55.73 55.71 1jbi s ARG 65 Cb -0.00 -0.69 -0.06 0.00 -1.56 0.00 0.00 34.95 32.64 1jbi s ARG 65 CO -0.05 -0.30 0.43 0.08 -0.81 0.00 0.00 175.30 174.64 1jbi s VAL 66 N 1.99 5.06 -0.02 7.11 1.01 0.05 -0.26 120.40 135.34 1jbi s VAL 66 Ca 0.04 0.50 0.03 0.00 0.00 0.00 0.00 61.98 62.54 1jbi s VAL 66 Cb -0.12 -3.66 -0.00 0.00 0.00 0.00 0.00 36.38 32.60 1jbi s VAL 66 CO -0.04 0.27 -0.11 -0.31 0.00 0.00 0.00 175.10 174.91 1jbi s TYR 67 N -1.43 1.10 0.72 5.22 2.02 -0.53 -0.90 117.35 123.55 1jbi s TYR 67 Ca 0.34 -0.27 -0.15 0.00 -0.37 0.00 0.00 57.07 56.63 1jbi s TYR 67 Cb -0.14 -0.76 0.03 0.00 -0.40 0.00 0.00 41.96 40.70 1jbi s TYR 67 CO 0.18 -0.09 1.17 -1.54 -1.57 0.00 0.00 175.55 173.70 1jbi s SER 68 N 0.07 4.43 -0.00 2.29 1.04 0.30 -1.79 113.70 120.04 1jbi s SER 68 Ca -0.02 2.23 0.01 0.00 0.48 0.00 0.00 55.95 58.66 1jbi s SER 68 Cb -0.08 -2.58 -0.00 0.00 0.10 0.00 0.00 66.02 63.46 1jbi s SER 68 CO 0.01 -2.10 -0.05 -0.22 0.98 0.00 0.00 173.24 171.86 1jbi s LEU 69 N -5.13 2.02 1.24 2.42 0.20 -1.12 -4.65 118.68 113.66 1jbi s LEU 69 Ca 0.72 -0.11 -0.16 0.00 0.69 0.00 0.00 54.13 55.27 1jbi s LEU 69 Cb -0.26 -0.24 0.31 0.00 -0.43 0.00 0.00 46.19 45.57 1jbi s LEU 69 CO 0.45 0.04 1.00 -2.16 -0.29 0.00 0.00 176.35 175.39 1jbi s PRO 70 N -0.20 -1.49 0.09 0.98 0.04 -1.26 -3.93 135.00 129.22 1jbi s PRO 70 Ca 0.01 0.57 -0.34 0.00 0.04 0.00 0.00 61.00 61.29 1jbi s PRO 70 Cb -0.02 -1.51 -0.13 0.00 0.04 0.00 0.00 34.50 32.88 1jbi s PRO 70 CO -0.00 -4.04 1.69 0.41 0.04 0.00 0.00 177.00 175.10 1jbi n GLY 71 N 0.80 1.27 3.49 0.56 0.00 -1.26 -4.41 105.19 105.63 1jbi n GLY 71 Ca 0.05 0.72 -0.23 0.00 0.00 0.00 0.00 46.02 46.56 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 1.95 1.69 0.28 1.61 1.81 -1.10 -4.97 118.95 120.22 1jbi s ARG 72 Ca 0.83 -1.89 -0.06 0.00 -1.72 0.00 0.00 55.73 52.89 1jbi s ARG 72 Cb -0.66 -1.33 -0.01 0.00 -0.45 0.00 0.00 34.95 32.50 1jbi s ARG 72 CO 0.42 0.02 0.40 -1.83 -0.68 0.00 0.00 175.30 173.63 1jbi s GLU 73 N -3.72 1.62 -1.33 3.54 1.03 -1.26 -2.45 118.70 116.14 1jbi s GLU 73 Ca 0.32 -1.55 -0.07 0.00 0.03 0.00 0.00 54.97 53.71 1jbi s GLU 73 Cb 0.05 0.42 -0.00 0.00 -0.80 0.00 0.00 34.13 33.79 1jbi s GLU 73 CO 0.14 -0.65 0.53 0.09 -1.33 0.00 0.00 175.26 174.05 1jbi n ASN 74 N -0.79 -1.72 -3.90 0.83 3.02 -1.26 -4.96 115.26 106.48 1jbi n ASN 74 Ca 0.00 -1.01 -0.30 0.00 -0.03 0.00 0.00 54.58 53.24 1jbi n ASN 74 Cb 0.63 -3.14 0.22 0.00 -0.61 0.00 0.00 39.78 36.88 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 -3.81 0.84 0.27 3.10 1.51 -1.26 -5.07 117.35 112.93 1jbi s TYR 75 Ca 0.14 0.41 0.02 0.00 -1.01 0.00 0.00 57.07 56.63 1jbi s TYR 75 Cb -0.05 -3.72 -0.04 0.00 -0.11 0.00 0.00 41.96 38.04 1jbi s TYR 75 CO 0.88 -3.46 0.16 -1.12 -1.11 0.00 0.00 175.55 170.91 1jbi s SER 76 N -4.29 1.02 -0.13 2.29 0.01 -1.26 -4.76 113.70 106.58 1jbi s SER 76 Ca 0.72 -1.51 0.01 0.00 1.31 0.00 0.00 55.95 56.49 1jbi s SER 76 Cb -0.07 0.38 0.02 0.00 0.21 0.00 0.00 66.02 66.56 1jbi s SER 76 CO 0.55 -0.88 -0.16 -0.44 0.41 0.00 0.00 173.24 172.72 1jbi s SER 77 N -3.29 2.66 -0.14 2.44 0.01 -1.26 -2.24 113.70 111.88 1jbi s SER 77 Ca 0.38 -0.49 -0.12 0.00 1.31 0.00 0.00 55.95 57.03 1jbi s SER 77 Cb 0.06 -1.20 0.04 0.00 0.21 0.00 0.00 66.02 65.13 1jbi s SER 77 CO 0.17 0.01 0.36 -0.69 0.41 0.00 0.00 173.24 173.50 1jbi s VAL 78 N 1.10 -0.00 -0.09 3.43 1.01 -1.03 -4.97 120.40 119.85 1jbi s VAL 78 Ca -0.03 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 1jbi s VAL 78 Cb -0.14 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 1jbi s VAL 78 CO -0.04 0.00 0.07 -0.62 0.00 0.00 0.00 175.10 174.50 1jbi s ASP 79 N 0.28 5.74 -0.04 3.32 -1.08 -1.26 -0.81 116.67 122.83 1jbi s ASP 79 Ca -0.01 0.27 -0.02 0.00 -0.52 0.00 0.00 52.55 52.27 1jbi s ASP 79 Cb -0.03 -1.72 0.02 0.00 -1.46 0.00 0.00 42.92 39.73 1jbi s ASP 79 CO -0.00 0.38 0.08 0.00 0.52 0.00 0.00 175.17 176.15 1jbi s ALA 80 N -0.98 -0.13 -1.45 3.66 0.00 -0.51 -4.92 121.76 117.43 1jbi s ALA 80 Ca 0.15 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1jbi s ALA 80 Cb -0.12 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.73 1jbi s ALA 80 CO 0.05 -0.10 0.00 0.09 0.00 0.00 0.00 175.76 175.80 1jbi n ASN 81 N 3.77 -4.10 -0.40 0.00 3.02 -1.26 -1.95 115.26 114.33 1jbi n ASN 81 Ca -0.22 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1jbi n ASN 81 Cb 0.54 -3.65 0.00 0.00 -0.61 0.00 0.00 39.78 36.06 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 -0.50 0.96 2.79 7.41 0.00 -1.26 -5.00 105.19 109.59 1jbi n GLY 82 Ca -0.16 -0.57 -0.17 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.80 -0.12 -0.17 -0.61 1.01 -0.82 -4.96 121.20 112.72 1jbi s ILE 83 Ca 0.00 0.30 -0.07 0.00 0.00 0.00 0.00 60.65 60.88 1jbi s ILE 83 Cb 0.00 -0.19 -0.04 0.00 0.01 0.00 0.00 42.46 42.24 1jbi s ILE 83 CO 0.00 0.13 0.06 -1.58 0.00 0.00 0.00 174.94 173.54 1jbi s GLN 84 N 1.71 3.91 0.01 2.79 2.00 -1.26 -1.43 119.66 127.39 1jbi s GLN 84 Ca -0.02 -0.35 -0.00 0.00 -2.00 0.00 0.00 55.36 52.99 1jbi s GLN 84 Cb -0.12 -3.18 -0.04 0.00 0.80 0.00 0.00 33.01 30.47 1jbi s GLN 84 CO -0.04 0.31 0.11 -1.54 -0.50 0.00 0.00 175.29 173.62 1jbi s SER 85 N 0.27 5.82 0.02 6.67 1.04 0.01 -3.09 113.70 124.44 1jbi s SER 85 Ca 0.03 0.17 0.06 0.00 0.48 0.00 0.00 55.95 56.69 1jbi s SER 85 Cb -0.12 -1.69 -0.02 0.00 0.10 0.00 0.00 66.02 64.28 1jbi s SER 85 CO 0.00 0.25 -0.17 0.00 0.98 0.00 0.00 173.24 174.31 1jbi s GLN 86 N -1.90 1.22 1.08 4.02 -2.07 -0.71 -2.45 119.66 118.85 1jbi s GLN 86 Ca 0.25 -0.75 -0.12 0.00 -1.82 0.00 0.00 55.36 52.92 1jbi s GLN 86 Cb -0.12 -1.25 0.24 0.00 -1.09 0.00 0.00 33.01 30.79 1jbi s GLN 86 CO 0.17 0.32 1.06 0.00 -1.32 0.00 0.00 175.29 175.52 1jbi s MET 87 N -0.86 -0.26 0.23 9.60 0.23 -0.95 -0.56 119.30 126.71 1jbi s MET 87 Ca 0.05 1.02 0.01 0.00 -1.03 0.00 0.00 55.69 55.73 1jbi s MET 87 Cb -0.08 -1.62 -0.04 0.00 -1.53 0.00 0.00 34.83 31.57 1jbi s MET 87 CO 0.01 -3.34 0.15 -0.51 -2.03 0.00 0.00 175.02 169.30 1jbi s LEU 88 N -6.98 1.31 -1.00 0.18 1.02 -1.26 -4.82 118.68 107.12 1jbi s LEU 88 Ca 0.68 -1.45 -0.08 0.00 0.02 0.00 0.00 54.13 53.30 1jbi s LEU 88 Cb -0.24 0.35 0.25 0.00 0.02 0.00 0.00 46.19 46.58 1jbi s LEU 88 CO 0.62 -0.86 0.96 -0.94 0.02 0.00 0.00 176.35 176.15 1jbi s SER 89 N -3.22 6.83 -0.89 2.29 1.04 -1.26 -4.38 113.70 114.12 1jbi s SER 89 Ca 0.39 -3.50 -0.04 0.00 0.48 0.00 0.00 55.95 53.28 1jbi s SER 89 Cb 0.06 -2.12 -0.05 0.00 0.10 0.00 0.00 66.02 64.02 1jbi s SER 89 CO 0.14 -0.30 0.79 -1.14 0.98 0.00 0.00 173.24 173.72 1jbi n ARG 90 N 2.78 -1.86 -2.80 4.02 0.63 -1.26 -4.97 116.66 113.20 1jbi n ARG 90 Ca 0.21 0.92 -0.42 0.00 -0.92 0.00 0.00 57.85 57.64 1jbi n ARG 90 Cb 0.39 -5.43 -0.03 0.00 0.45 0.00 0.00 32.46 27.84 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 -3.28 3.23 0.00 -0.14 -0.11 -1.03 -4.90 118.94 112.71 1jbi s TRP 91 Ca 0.33 1.09 0.00 0.00 1.22 0.00 0.00 56.10 58.74 1jbi s TRP 91 Cb -0.04 -3.34 0.00 0.00 -1.50 0.00 0.00 33.47 28.59 1jbi s TRP 91 CO 0.67 -0.58 1.29 0.43 -4.62 0.00 0.00 176.95 174.14 1jbi n SER 92 N 6.39 3.63 -3.25 5.86 7.64 -1.26 -2.69 113.62 129.93 1jbi n SER 92 Ca 0.08 -2.04 -0.04 0.00 1.01 0.00 0.00 58.87 57.88 1jbi n SER 92 Cb 0.47 -0.69 -0.03 0.00 -1.01 0.00 0.00 64.21 62.95 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 -1.74 0.24 -0.43 0.00 -1.26 -4.69 121.76 113.97 1jbi s ALA 93 Ca 0.00 0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.14 1jbi s ALA 93 Cb 0.00 -2.41 -0.05 0.00 0.00 0.00 0.00 23.12 20.65 1jbi s ALA 93 CO 0.00 -2.02 0.05 -1.12 0.00 0.00 0.00 175.76 172.68 1jbi s SER 94 N 2.14 1.39 0.32 0.00 0.01 -1.25 -1.16 113.70 115.14 1jbi s SER 94 Ca 0.13 -1.31 -0.13 0.00 1.31 0.00 0.00 55.95 55.96 1jbi s SER 94 Cb -0.09 0.11 0.02 0.00 0.21 0.00 0.00 66.02 66.26 1jbi s SER 94 CO -0.16 -0.65 0.61 0.72 0.41 0.00 0.00 173.24 174.18 1jbi s PHE 95 N -3.64 0.36 -0.00 2.43 -0.71 0.16 -2.77 117.98 113.81 1jbi s PHE 95 Ca 0.33 -0.81 0.02 0.00 -1.04 0.00 0.00 56.93 55.44 1jbi s PHE 95 Cb 0.07 0.41 -0.01 0.00 -1.21 0.00 0.00 43.02 42.29 1jbi s PHE 95 CO 0.11 -1.25 -0.08 -0.08 -1.34 0.00 0.00 175.22 172.58 1jbi s THR 96 N -3.25 0.62 0.19 -4.49 -1.32 -0.74 -0.79 115.64 105.88 1jbi s THR 96 Ca 0.20 -0.38 0.06 0.00 -1.21 0.00 0.00 61.69 60.36 1jbi s THR 96 Cb -0.03 -0.53 -0.04 0.00 -1.51 0.00 0.00 72.50 70.39 1jbi s THR 96 CO 0.12 0.14 0.13 0.54 -2.21 0.00 0.00 174.62 173.34 1jbi s VAL 97 N -0.25 4.34 0.33 5.08 0.11 -1.26 -1.45 120.40 127.30 1jbi s VAL 97 Ca 0.02 -1.25 -0.08 0.00 -2.93 0.00 0.00 61.98 57.74 1jbi s VAL 97 Cb -0.03 -3.25 0.01 0.00 -1.53 0.00 0.00 36.38 31.58 1jbi s VAL 97 CO -0.00 -0.19 0.55 0.42 -3.33 0.00 0.00 175.10 172.55 1jbi s THR 98 N -1.88 0.00 0.74 5.04 -4.23 0.64 -4.97 115.64 110.97 1jbi s THR 98 Ca 0.31 -1.41 -0.11 0.00 -1.18 0.00 0.00 61.69 59.30 1jbi s THR 98 Cb -0.09 -2.59 0.03 0.00 1.34 0.00 0.00 72.50 71.19 1jbi s THR 98 CO 0.23 0.00 1.07 -0.76 -0.54 0.00 0.00 174.62 174.62 1jbi s LEU 99 N -3.14 2.96 0.00 4.79 1.43 -1.26 -1.08 118.68 122.37 1jbi s LEU 99 Ca 0.25 1.56 0.25 0.00 -1.03 0.00 0.00 54.13 55.16 1jbi s LEU 99 Cb -0.02 -4.34 0.51 0.00 0.03 0.00 0.00 46.19 42.37 1jbi s LEU 99 CO 0.15 -1.68 1.44 1.21 0.23 0.00 0.00 176.35 177.71