#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 0.50 0.72 1.79 0.00 -1.26 -4.87 121.76 118.65 1jbi s ALA 2 Ca 0.00 -0.87 -0.14 0.00 0.00 0.00 0.00 51.96 50.95 1jbi s ALA 2 Cb 0.00 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.28 1jbi s ALA 2 CO 0.00 -0.14 1.13 -1.25 0.00 0.00 0.00 175.76 175.50 1jbi s PRO 3 N -2.24 2.37 -0.09 0.00 0.04 -1.26 -4.32 135.00 129.51 1jbi s PRO 3 Ca -0.06 1.44 0.02 0.00 0.04 0.00 0.00 61.00 62.45 1jbi s PRO 3 Cb -0.05 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.61 1jbi s PRO 3 CO -0.02 -1.59 -0.14 0.42 0.04 0.00 0.00 177.00 175.70 1jbi s ILE 4 N -2.40 1.38 -0.11 0.56 1.09 -0.90 -4.98 121.20 115.83 1jbi s ILE 4 Ca 0.67 -0.59 -0.26 0.00 -1.10 0.00 0.00 60.65 59.37 1jbi s ILE 4 Cb -0.22 -1.26 -0.02 0.00 -1.06 0.00 0.00 42.46 39.90 1jbi s ILE 4 CO 0.47 0.41 0.86 0.00 -0.10 0.00 0.00 174.94 176.58 1jbi s ALA 5 N 0.84 3.41 0.22 9.38 0.00 -1.26 -2.16 121.76 132.19 1jbi s ALA 5 Ca -0.10 0.19 0.08 0.00 0.00 0.00 0.00 51.96 52.13 1jbi s ALA 5 Cb -0.15 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1jbi s ALA 5 CO 0.01 -0.48 0.07 0.96 0.00 0.00 0.00 175.76 176.32 1jbi s ILE 6 N 1.71 3.92 -1.40 0.00 -5.25 -0.42 -4.90 121.20 114.86 1jbi s ILE 6 Ca 0.42 -1.52 0.04 0.00 -0.99 0.00 0.00 60.65 58.60 1jbi s ILE 6 Cb -0.18 -3.05 0.17 0.00 2.95 0.00 0.00 42.46 42.35 1jbi s ILE 6 CO 0.17 -0.25 0.95 1.07 -1.79 0.00 0.00 174.94 175.09 1jbi n THR 7 N -0.65 0.44 -1.22 8.37 5.66 -1.26 -4.29 114.28 121.33 1jbi n THR 7 Ca -0.08 -0.28 -0.08 0.00 -3.05 0.00 0.00 64.05 60.57 1jbi n THR 7 Cb 0.57 -0.17 -0.03 0.00 -1.55 0.00 0.00 70.33 69.14 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 -2.15 0.00 -1.86 0.00 7.35 -1.26 -4.65 117.46 114.88 1jbi n PHE 9 Ca -0.08 -0.05 -0.41 0.00 -0.76 0.00 0.00 57.45 56.15 1jbi n PHE 9 Cb 0.56 -0.01 -0.01 0.00 0.35 0.00 0.00 39.48 40.38 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 -0.10 2.22 0.39 -2.13 2.01 -1.26 -4.91 115.64 111.85 1jbi s THR 10 Ca 0.00 0.20 0.08 0.00 0.31 0.00 0.00 61.69 62.28 1jbi s THR 10 Cb 0.00 -3.13 -0.02 0.00 0.01 0.00 0.00 72.50 69.36 1jbi s THR 10 CO 0.00 0.04 0.37 -0.13 -0.69 0.00 0.00 174.62 174.21 1jbi s ARG 11 N -1.34 2.64 0.56 4.92 0.52 -1.26 -1.01 118.95 123.98 1jbi s ARG 11 Ca 0.56 -1.41 0.34 0.00 -0.52 0.00 0.00 55.73 54.70 1jbi s ARG 11 Cb -0.45 -2.46 1.86 0.00 0.52 0.00 0.00 34.95 34.42 1jbi s ARG 11 CO 0.55 -0.09 2.04 0.78 0.02 0.00 0.00 175.30 178.60 1jbi h GLY 12 N 1.07 0.00 1.97 -3.53 0.00 0.22 -1.16 103.07 101.65 1jbi h GLY 12 Ca -0.43 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.82 1jbi h GLY 12 CO 0.57 0.00 -0.40 1.41 0.00 0.00 0.00 176.54 178.11 1jbi h LEU 13 N 0.00 0.03 -0.17 3.11 3.38 -1.48 -3.09 115.31 117.09 1jbi h LEU 13 Ca 0.00 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 1jbi h LEU 13 Cb 0.17 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1jbi h LEU 13 CO 0.00 0.43 -0.95 0.44 0.09 0.00 0.00 178.44 178.45 1jbi h ASP 14 N 0.03 0.47 -3.68 -0.43 3.32 -1.52 -3.41 116.42 111.19 1jbi h ASP 14 Ca -0.00 -0.38 -0.62 0.00 0.02 0.00 0.00 57.03 56.04 1jbi h ASP 14 Cb 0.72 -0.14 -0.40 0.00 0.22 0.00 0.00 39.33 39.73 1jbi h ASP 14 CO 0.05 1.19 -0.71 -0.63 -1.72 0.00 0.00 179.24 177.42 1jbi s ILE 15 N -3.21 1.74 -0.32 0.35 1.01 -1.17 -4.96 121.20 114.65 1jbi s ILE 15 Ca -0.05 -2.49 0.08 0.00 0.00 0.00 0.00 60.65 58.19 1jbi s ILE 15 Cb 0.09 -2.24 0.50 0.00 0.01 0.00 0.00 42.46 40.81 1jbi s ILE 15 CO 0.86 -0.78 1.46 0.54 0.00 0.00 0.00 174.94 177.02 1jbi n ARG 16 N 3.80 2.11 -1.43 2.79 1.74 -1.26 -4.91 116.66 119.50 1jbi n ARG 16 Ca 0.05 -3.34 -0.29 0.00 -0.77 0.00 0.00 57.85 53.50 1jbi n ARG 16 Cb 0.36 -1.90 0.15 0.00 -1.02 0.00 0.00 32.46 30.05 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 -3.34 0.96 0.23 5.56 3.01 -1.26 -4.94 119.74 119.95 1jbi s LYS 17 Ca 0.47 0.36 -0.07 0.00 -1.01 0.00 0.00 55.97 55.72 1jbi s LYS 17 Cb 0.41 -1.81 0.21 0.00 -1.01 0.00 0.00 37.83 35.63 1jbi s LYS 17 CO -0.00 -2.33 1.82 1.49 0.51 0.00 0.00 175.35 176.83 1jbi h GLU 18 N -1.60 1.19 -2.80 1.68 4.81 -1.95 -3.38 114.58 112.53 1jbi h GLU 18 Ca -0.52 -0.18 -0.12 0.00 -0.13 0.00 0.00 59.36 58.41 1jbi h GLU 18 Cb 1.33 -0.21 -0.23 0.00 0.63 0.00 0.00 28.75 30.27 1jbi h GLU 18 CO 0.61 0.93 -0.23 -1.59 -0.73 0.00 0.00 179.01 177.99 1jbi s LYS 19 N -5.64 0.56 -0.15 1.92 -2.85 -1.26 -0.67 119.74 111.64 1jbi s LYS 19 Ca -0.12 0.34 -0.13 0.00 -1.00 0.00 0.00 55.97 55.06 1jbi s LYS 19 Cb 0.16 0.26 0.04 0.00 -2.06 0.00 0.00 37.83 36.24 1jbi s LYS 19 CO 0.83 -0.11 0.39 0.00 0.10 0.00 0.00 175.35 176.57 1jbi s ALA 20 N -0.28 -0.98 0.03 0.59 0.00 -0.29 -4.85 121.76 115.98 1jbi s ALA 20 Ca -0.04 1.19 -0.13 0.00 0.00 0.00 0.00 51.96 52.98 1jbi s ALA 20 Cb -0.03 -0.70 -0.06 0.00 0.00 0.00 0.00 23.12 22.33 1jbi s ALA 20 CO 0.02 -0.20 0.41 -0.51 0.00 0.00 0.00 175.76 175.47 1jbi s ASP 21 N 0.46 6.74 0.13 0.00 1.01 -1.26 -0.24 116.67 123.51 1jbi s ASP 21 Ca -0.02 0.90 0.01 0.00 0.71 0.00 0.00 52.55 54.15 1jbi s ASP 21 Cb -0.04 -2.22 -0.04 0.00 1.01 0.00 0.00 42.92 41.62 1jbi s ASP 21 CO -0.02 0.26 -0.03 0.68 0.21 0.00 0.00 175.17 176.27 1jbi s VAL 22 N -1.21 0.62 -0.03 -1.27 -7.23 0.01 -2.11 120.40 109.17 1jbi s VAL 22 Ca 0.28 -1.95 0.06 0.00 -1.81 0.00 0.00 61.98 58.55 1jbi s VAL 22 Cb -0.15 -1.88 -0.01 0.00 0.56 0.00 0.00 36.38 34.90 1jbi s VAL 22 CO 0.15 -0.69 -0.20 -0.76 -0.31 0.00 0.00 175.10 173.29 1jbi s LEU 23 N -3.09 2.00 -0.36 1.32 2.01 -0.92 -1.03 118.68 118.61 1jbi s LEU 23 Ca 0.17 -0.39 -0.02 0.00 0.01 0.00 0.00 54.13 53.91 1jbi s LEU 23 Cb 0.06 -1.07 0.08 0.00 0.01 0.00 0.00 46.19 45.27 1jbi s LEU 23 CO -0.01 0.22 0.12 0.00 1.01 0.00 0.00 176.35 177.69 1jbi s PRO 25 N 1.18 -1.51 4.88 0.00 0.04 -1.26 -0.99 135.00 137.35 1jbi s PRO 25 Ca 0.03 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 60.88 1jbi s PRO 25 Cb -0.21 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1jbi s PRO 25 CO -0.03 -3.88 0.00 0.41 0.04 0.00 0.00 177.00 173.54 1jbi n GLY 26 N -0.99 1.69 0.00 0.56 0.00 -1.26 -4.28 105.19 100.91 1jbi n GLY 26 Ca 0.15 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 0.17 3.57 -0.02 0.00 -1.26 -3.96 105.19 103.69 1jbi n GLY 27 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.32 3.05 -1.26 0.00 0.04 -1.26 -4.65 135.00 127.60 1jbi s PRO 29 Ca 0.24 2.10 -0.06 0.00 0.04 0.00 0.00 61.00 63.32 1jbi s PRO 29 Cb -0.03 -2.14 0.17 0.00 0.04 0.00 0.00 34.50 32.54 1jbi s PRO 29 CO 0.88 -1.22 2.15 1.28 0.04 0.00 0.00 177.00 180.13 1jbi n LEU 30 N -1.24 7.57 -0.05 -3.56 4.77 -1.26 -4.29 117.00 118.94 1jbi n LEU 30 Ca 0.12 -4.93 -0.05 0.00 -0.03 0.00 0.00 56.01 51.12 1jbi n LEU 30 Cb 0.47 -1.35 -0.02 0.00 -2.33 0.00 0.00 43.42 40.19 1jbi n LEU 30 CO 0.50 1.90 -0.38 1.21 -1.33 0.00 0.00 177.39 179.29 1jbi n GLU 31 N 1.89 0.32 -3.77 3.23 2.13 -1.26 -4.91 120.64 118.28 1jbi n GLU 31 Ca 0.53 0.21 -0.35 0.00 0.66 0.00 0.00 57.16 58.21 1jbi n GLU 31 Cb 0.28 -1.15 -0.10 0.00 0.27 0.00 0.00 31.44 30.73 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 -2.10 2.54 -0.07 5.31 2.02 -1.26 -5.02 118.70 120.12 1jbi s GLU 32 Ca -0.16 -2.71 -0.03 0.00 0.02 0.00 0.00 54.97 52.09 1jbi s GLU 32 Cb 0.02 -3.66 0.04 0.00 0.10 0.00 0.00 34.13 30.63 1jbi s GLU 32 CO 0.24 -1.18 0.14 -0.06 0.02 0.00 0.00 175.26 174.41 1jbi s PHE 33 N -0.39 -0.14 -0.19 1.61 0.08 -1.26 -5.00 117.98 112.68 1jbi s PHE 33 Ca 0.19 0.50 -0.03 0.00 0.12 0.00 0.00 56.93 57.71 1jbi s PHE 33 Cb -0.19 -0.20 -0.01 0.00 -0.57 0.00 0.00 43.02 42.06 1jbi s PHE 33 CO -0.05 -0.21 -0.07 0.45 -0.10 0.00 0.00 175.22 175.24 1jbi s SER 34 N 1.71 4.19 0.16 1.36 0.15 -1.26 -4.67 113.70 115.34 1jbi s SER 34 Ca -0.03 -0.38 0.08 0.00 0.70 0.00 0.00 55.95 56.33 1jbi s SER 34 Cb -0.12 -1.70 -0.04 0.00 -1.71 0.00 0.00 66.02 62.45 1jbi s SER 34 CO -0.05 0.04 -0.10 -0.69 1.20 0.00 0.00 173.24 173.63 1jbi s VAL 35 N 1.14 3.23 -0.34 4.45 1.01 -1.12 -3.78 120.40 124.99 1jbi s VAL 35 Ca 0.01 -1.54 0.01 0.00 0.00 0.00 0.00 61.98 60.46 1jbi s VAL 35 Cb -0.14 -2.57 0.11 0.00 0.00 0.00 0.00 36.38 33.77 1jbi s VAL 35 CO -0.02 -0.04 0.11 -0.31 0.00 0.00 0.00 175.10 174.85 1jbi s TYR 36 N -1.54 2.24 0.13 5.22 1.51 -1.26 -1.89 117.35 121.75 1jbi s TYR 36 Ca 0.24 -2.16 0.00 0.00 -1.01 0.00 0.00 57.07 54.13 1jbi s TYR 36 Cb -0.09 -2.04 0.00 0.00 -0.11 0.00 0.00 41.96 39.72 1jbi s TYR 36 CO 0.15 -0.88 0.00 0.41 -1.11 0.00 0.00 175.55 174.12 1jbi n GLY 37 N 4.47 -3.07 3.94 0.71 0.00 -0.06 -1.04 105.19 110.14 1jbi n GLY 37 Ca 0.01 -1.20 -0.24 0.00 0.00 0.00 0.00 46.02 44.59 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 -3.52 6.32 0.00 1.61 4.22 -1.26 -4.24 114.94 118.07 1jbi s ASN 38 Ca 0.00 0.36 0.00 0.00 -2.14 0.00 0.00 52.86 51.08 1jbi s ASN 38 Cb 0.00 -1.99 0.00 0.00 1.28 0.00 0.00 41.25 40.54 1jbi s ASN 38 CO 0.00 -0.19 0.00 -0.38 -2.04 0.00 0.00 177.10 174.49 1jbi n ILE 39 N -1.44 0.00 -2.48 0.54 2.08 -1.26 -4.40 119.36 112.39 1jbi n ILE 39 Ca -0.06 0.00 -0.39 0.00 0.56 0.00 0.00 62.75 62.86 1jbi n ILE 39 Cb 0.56 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.42 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 3.79 -0.36 1.39 1.01 -1.26 -3.96 120.40 121.01 1jbi s VAL 40 Ca 0.00 -0.35 -0.25 0.00 0.00 0.00 0.00 61.98 61.38 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 -1.77 0.89 -0.31 0.00 0.00 0.00 175.10 173.91 1jbi s TYR 41 N 5.90 3.10 0.60 5.22 2.02 0.47 -4.40 117.35 130.25 1jbi s TYR 41 Ca 0.46 0.74 -0.19 0.00 -0.37 0.00 0.00 57.07 57.71 1jbi s TYR 41 Cb -0.04 -3.56 -0.03 0.00 -0.40 0.00 0.00 41.96 37.93 1jbi s TYR 41 CO -0.01 -0.78 1.26 0.00 -1.57 0.00 0.00 175.55 174.45 1jbi s ALA 42 N 3.35 2.56 0.51 3.71 0.00 -0.21 -0.85 121.76 130.83 1jbi s ALA 42 Ca 0.36 1.12 0.28 0.00 0.00 0.00 0.00 51.96 53.72 1jbi s ALA 42 Cb -0.12 -3.50 1.38 0.00 0.00 0.00 0.00 23.12 20.88 1jbi s ALA 42 CO 0.18 -1.30 1.88 1.03 0.00 0.00 0.00 175.76 177.55 1jbi h SER 43 N 0.93 0.10 0.41 0.00 0.87 -1.45 -0.22 113.55 114.19 1jbi h SER 43 Ca -0.51 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 1jbi h SER 43 Cb 1.31 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1jbi h SER 43 CO 0.55 0.04 0.00 1.62 -0.53 0.00 0.00 176.83 178.51 1jbi h VAL 44 N 0.10 0.00 -3.99 2.23 3.04 -1.90 -0.55 116.25 115.18 1jbi h VAL 44 Ca 0.43 -0.18 -0.53 0.00 -1.01 0.00 0.00 66.70 65.41 1jbi h VAL 44 Cb 1.54 1.05 0.09 0.00 -2.01 0.00 0.00 31.29 31.96 1jbi h VAL 44 CO -0.05 0.00 0.57 -0.44 -1.01 0.00 0.00 177.57 176.64 1jbi s SER 45 N -4.96 6.01 0.39 3.17 0.01 -0.10 -4.71 113.70 113.51 1jbi s SER 45 Ca -0.01 2.56 -0.27 0.00 1.31 0.00 0.00 55.95 59.54 1jbi s SER 45 Cb 0.10 -2.63 -0.09 0.00 0.21 0.00 0.00 66.02 63.61 1jbi s SER 45 CO 0.41 -1.05 1.36 -0.55 0.41 0.00 0.00 173.24 173.82 1jbi s SER 46 N -1.00 6.32 0.28 2.44 0.15 -1.25 -1.28 113.70 119.37 1jbi s SER 46 Ca 0.63 2.78 0.03 0.00 0.70 0.00 0.00 55.95 60.08 1jbi s SER 46 Cb -0.35 -2.65 0.42 0.00 -1.71 0.00 0.00 66.02 61.72 1jbi s SER 46 CO 0.44 -0.85 1.72 0.40 1.20 0.00 0.00 173.24 176.15 1jbi h ILE 47 N 2.63 1.27 0.21 6.45 2.04 -1.36 0.43 117.51 129.17 1jbi h ILE 47 Ca -0.50 -1.27 -0.01 0.00 1.00 0.00 0.00 64.86 64.08 1jbi h ILE 47 Cb 1.24 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 1jbi h ILE 47 CO 0.63 0.40 -0.10 0.00 0.00 0.00 0.00 178.15 179.08 1jbi h GLY 49 N -0.49 -0.98 0.83 0.00 0.00 -1.87 0.04 103.07 100.60 1jbi h GLY 49 Ca -0.03 0.68 0.03 0.00 0.00 0.00 0.00 47.33 48.01 1jbi h GLY 49 CO 0.05 -0.15 0.19 0.00 0.00 0.00 0.00 176.54 176.63 1jbi h ALA 50 N -0.07 0.47 0.41 3.60 0.00 -0.93 -0.07 119.26 122.67 1jbi h ALA 50 Ca 0.07 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1jbi h ALA 50 Cb 0.62 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1jbi h ALA 50 CO -0.54 -0.17 -0.20 0.00 0.00 0.00 0.00 179.25 178.34 1jbi h ALA 51 N 1.19 -0.55 -0.46 0.00 0.00 -0.54 -0.07 119.26 118.82 1jbi h ALA 51 Ca 0.16 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1jbi h ALA 51 Cb 0.06 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1jbi h ALA 51 CO -0.10 -0.74 -0.04 0.28 0.00 0.00 0.00 179.25 178.64 1jbi h VAL 52 N -0.70 1.25 -0.07 0.00 2.07 -1.01 -0.23 116.25 117.57 1jbi h VAL 52 Ca -0.06 -1.08 0.02 0.00 0.82 0.00 0.00 66.70 66.41 1jbi h VAL 52 Cb 0.50 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1jbi h VAL 52 CO 0.09 0.37 -0.06 -0.74 0.02 0.00 0.00 177.57 177.26 1jbi h HIS 53 N 0.73 -0.14 -0.06 1.57 6.17 -0.87 -0.58 115.15 121.98 1jbi h HIS 53 Ca 0.14 0.01 0.02 0.00 0.71 0.00 0.00 60.37 61.24 1jbi h HIS 53 Cb 0.51 0.07 -0.00 0.00 2.52 0.00 0.00 27.41 30.51 1jbi h HIS 53 CO 0.03 -0.09 0.10 -0.09 0.71 0.00 0.00 177.93 178.59 1jbi h ARG 54 N -0.07 0.00 0.00 5.26 9.65 -0.75 -3.41 114.38 125.06 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 0.14 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 1jbi h ARG 54 CO -0.11 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.07 1jbi n GLY 55 N -1.27 0.88 0.16 2.80 0.00 -0.22 -5.00 105.19 102.54 1jbi n GLY 55 Ca -0.01 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 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 0.79 -3.75 1.61 2.07 -1.27 -3.46 116.25 112.24 1jbi h VAL 56 Ca 0.00 -0.19 -0.28 0.00 0.82 0.00 0.00 66.70 67.04 1jbi h VAL 56 Cb 0.00 0.90 -0.15 0.00 -1.52 0.00 0.00 31.29 30.53 1jbi h VAL 56 CO 0.00 0.04 -0.67 0.27 0.02 0.00 0.00 177.57 177.23 1jbi s ILE 57 N -5.74 0.71 0.53 4.57 -4.36 -1.26 -4.95 121.20 110.70 1jbi s ILE 57 Ca -0.15 -1.98 0.07 0.00 -0.26 0.00 0.00 60.65 58.33 1jbi s ILE 57 Cb 0.04 -2.06 0.04 0.00 1.25 0.00 0.00 42.46 41.73 1jbi s ILE 57 CO 0.63 -0.53 0.51 -0.44 0.24 0.00 0.00 174.94 175.34 1jbi s SER 58 N -3.16 4.85 -0.78 4.36 0.01 -1.26 -4.27 113.70 113.45 1jbi s SER 58 Ca 0.22 -1.03 -0.24 0.00 1.31 0.00 0.00 55.95 56.22 1jbi s SER 58 Cb 0.06 0.18 -0.18 0.00 0.21 0.00 0.00 66.02 66.29 1jbi s SER 58 CO 0.03 -1.08 1.89 -3.20 0.41 0.00 0.00 173.24 171.29 1jbi n ASN 59 N -1.85 2.39 0.00 2.44 5.15 -1.26 -2.63 115.26 119.50 1jbi n ASN 59 Ca 0.04 -2.65 0.00 0.00 -0.60 0.00 0.00 54.58 51.37 1jbi n ASN 59 Cb 0.63 -1.22 0.00 0.00 -0.53 0.00 0.00 39.78 38.66 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 10.09 0.00 -0.04 1.20 2.88 -0.84 -4.90 113.62 122.02 1jbi n SER 60 Ca 0.48 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 1jbi n SER 60 Cb 0.43 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.88 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 -2.14 0.00 0.46 0.00 -1.01 -4.33 105.19 98.18 1jbi n GLY 61 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.40 -0.14 3.77 -0.02 0.00 -0.16 -4.61 105.19 103.64 1jbi n GLY 62 Ca 0.00 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.40 4.48 0.11 1.61 0.04 -1.26 -0.99 135.00 137.59 1jbi s PRO 63 Ca 0.00 1.51 -0.05 0.00 0.04 0.00 0.00 61.00 62.50 1jbi s PRO 63 Cb 0.00 -2.84 -0.02 0.00 0.04 0.00 0.00 34.50 31.67 1jbi s PRO 63 CO 0.00 0.15 0.13 0.08 0.04 0.00 0.00 177.00 177.40 1jbi s VAL 64 N -1.49 0.13 -0.12 -0.36 1.01 -0.20 -4.44 120.40 114.94 1jbi s VAL 64 Ca 0.51 -1.58 -0.02 0.00 0.00 0.00 0.00 61.98 60.89 1jbi s VAL 64 Cb -0.23 -1.72 0.04 0.00 0.00 0.00 0.00 36.38 34.47 1jbi s VAL 64 CO 0.30 -0.58 0.01 -0.60 0.00 0.00 0.00 175.10 174.22 1jbi s ARG 65 N -3.96 0.72 -0.00 2.72 3.52 -0.04 -0.81 118.95 121.09 1jbi s ARG 65 Ca 0.14 -0.10 -0.18 0.00 -0.13 0.00 0.00 55.73 55.45 1jbi s ARG 65 Cb 0.06 -1.41 -0.06 0.00 -1.56 0.00 0.00 34.95 31.98 1jbi s ARG 65 CO -0.04 -0.41 0.52 0.08 -0.81 0.00 0.00 175.30 174.64 1jbi s VAL 66 N 1.91 4.94 -0.15 7.11 1.01 0.66 -0.24 120.40 135.65 1jbi s VAL 66 Ca 0.03 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.11 1jbi s VAL 66 Cb -0.14 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.41 1jbi s VAL 66 CO -0.06 0.48 -0.14 -0.31 0.00 0.00 0.00 175.10 175.06 1jbi s TYR 67 N -0.49 2.15 0.83 5.22 2.02 0.05 -1.13 117.35 126.00 1jbi s TYR 67 Ca 0.28 -1.20 -0.11 0.00 -0.37 0.00 0.00 57.07 55.67 1jbi s TYR 67 Cb -0.18 -1.59 0.10 0.00 -0.40 0.00 0.00 41.96 39.89 1jbi s TYR 67 CO 0.16 -0.66 1.13 -1.54 -1.57 0.00 0.00 175.55 173.06 1jbi s SER 68 N 1.48 3.73 0.07 2.29 1.04 0.15 -0.65 113.70 121.81 1jbi s SER 68 Ca 0.05 2.05 0.02 0.00 0.48 0.00 0.00 55.95 58.55 1jbi s SER 68 Cb -0.13 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.41 1jbi s SER 68 CO -0.10 -2.56 -0.07 -0.22 0.98 0.00 0.00 173.24 171.26 1jbi s LEU 69 N -6.15 2.39 1.16 2.42 0.20 -0.34 -4.72 118.68 113.64 1jbi s LEU 69 Ca 0.65 -0.79 -0.13 0.00 0.69 0.00 0.00 54.13 54.55 1jbi s LEU 69 Cb -0.21 -0.14 0.28 0.00 -0.43 0.00 0.00 46.19 45.69 1jbi s LEU 69 CO 0.56 -0.33 1.03 -2.16 -0.29 0.00 0.00 176.35 175.15 1jbi s PRO 70 N -2.77 -0.87 0.33 0.98 0.04 -1.26 -4.15 135.00 127.30 1jbi s PRO 70 Ca 0.02 0.73 -0.29 0.00 0.04 0.00 0.00 61.00 61.50 1jbi s PRO 70 Cb -0.02 -1.57 -0.12 0.00 0.04 0.00 0.00 34.50 32.83 1jbi s PRO 70 CO -0.02 -3.66 1.35 0.41 0.04 0.00 0.00 177.00 175.12 1jbi n GLY 71 N 0.51 0.75 3.19 0.56 0.00 -1.26 -4.36 105.19 104.58 1jbi n GLY 71 Ca 0.03 0.35 -0.12 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.64 1.04 0.35 1.61 0.52 -1.18 -4.97 118.95 114.68 1jbi s ARG 72 Ca 0.57 -1.51 0.04 0.00 -0.52 0.00 0.00 55.73 54.32 1jbi s ARG 72 Cb -0.56 0.04 -0.02 0.00 0.52 0.00 0.00 34.95 34.94 1jbi s ARG 72 CO 0.60 -0.23 0.37 -0.85 0.02 0.00 0.00 175.30 175.21 1jbi n GLU 73 N -0.18 0.53 -3.39 3.54 0.28 -1.26 -1.67 120.64 118.49 1jbi n GLU 73 Ca -0.05 -3.20 -0.18 0.00 -0.16 0.00 0.00 57.16 53.57 1jbi n GLU 73 Cb 0.64 2.78 0.07 0.00 1.43 0.00 0.00 31.44 36.36 1jbi n GLU 73 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1jbi n ASN 74 N -1.64 -4.76 -4.77 -1.84 4.13 -1.26 -4.97 115.26 100.15 1jbi n ASN 74 Ca 0.05 -0.73 -0.29 0.00 1.68 0.00 0.00 54.58 55.29 1jbi n ASN 74 Cb 0.61 -4.87 0.10 0.00 -1.54 0.00 0.00 39.78 34.09 1jbi n ASN 74 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1jbi s TYR 75 N -3.42 2.69 0.49 3.10 1.51 -1.26 -5.09 117.35 115.37 1jbi s TYR 75 Ca 0.30 0.61 0.02 0.00 -1.01 0.00 0.00 57.07 56.98 1jbi s TYR 75 Cb -0.05 -3.55 -0.01 0.00 -0.11 0.00 0.00 41.96 38.24 1jbi s TYR 75 CO 0.76 -1.87 0.05 -1.12 -1.11 0.00 0.00 175.55 172.26 1jbi s SER 76 N -4.63 3.75 -0.14 2.29 0.01 -1.26 -4.77 113.70 108.95 1jbi s SER 76 Ca 0.64 -1.69 0.02 0.00 1.31 0.00 0.00 55.95 56.22 1jbi s SER 76 Cb -0.10 0.60 0.01 0.00 0.21 0.00 0.00 66.02 66.75 1jbi s SER 76 CO 0.49 -0.92 -0.20 -0.44 0.41 0.00 0.00 173.24 172.58 1jbi s SER 77 N -3.81 3.02 -0.01 2.44 0.01 -1.26 -1.63 113.70 112.45 1jbi s SER 77 Ca 0.09 -0.59 -0.07 0.00 1.31 0.00 0.00 55.95 56.69 1jbi s SER 77 Cb 0.01 -1.40 0.00 0.00 0.21 0.00 0.00 66.02 64.85 1jbi s SER 77 CO 0.06 0.05 0.15 -0.69 0.41 0.00 0.00 173.24 173.21 1jbi s VAL 78 N 0.96 0.06 -0.12 3.43 1.01 -0.35 -4.96 120.40 120.44 1jbi s VAL 78 Ca -0.04 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 1jbi s VAL 78 Cb -0.15 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 1jbi s VAL 78 CO -0.05 -0.29 0.07 -0.62 0.00 0.00 0.00 175.10 174.21 1jbi s ASP 79 N -1.04 5.80 -0.25 3.32 2.15 -1.26 -0.70 116.67 124.68 1jbi s ASP 79 Ca -0.11 0.27 -0.22 0.00 0.43 0.00 0.00 52.55 52.91 1jbi s ASP 79 Cb -0.06 -1.82 0.07 0.00 -0.30 0.00 0.00 42.92 40.80 1jbi s ASP 79 CO 0.01 0.35 0.67 0.00 -0.17 0.00 0.00 175.17 176.03 1jbi s ALA 80 N -0.68 -1.68 -1.24 3.66 0.00 -0.38 -4.95 121.76 116.48 1jbi s ALA 80 Ca 0.12 1.97 -0.05 0.00 0.00 0.00 0.00 51.96 54.00 1jbi s ALA 80 Cb -0.12 -1.15 0.03 0.00 0.00 0.00 0.00 23.12 21.89 1jbi s ALA 80 CO 0.02 -0.33 0.31 0.09 0.00 0.00 0.00 175.76 175.86 1jbi n ASN 81 N 2.99 -4.18 0.00 0.00 3.02 -1.26 -0.92 115.26 114.91 1jbi n ASN 81 Ca -0.15 -0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 1jbi n ASN 81 Cb 0.56 -3.47 0.00 0.00 -0.61 0.00 0.00 39.78 36.26 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 -1.08 0.54 3.77 7.41 0.00 -1.26 -4.90 105.19 109.67 1jbi n GLY 82 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.47 4.79 -0.06 -0.61 1.01 -0.10 -5.10 121.20 118.66 1jbi s ILE 83 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.42 1jbi s ILE 83 Cb 0.00 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 1jbi s ILE 83 CO 0.00 0.50 0.06 -1.58 0.00 0.00 0.00 174.94 173.93 1jbi s GLN 84 N -1.28 3.12 0.05 2.79 2.00 -1.26 -1.25 119.66 123.82 1jbi s GLN 84 Ca 0.18 -0.37 0.06 0.00 -2.00 0.00 0.00 55.36 53.23 1jbi s GLN 84 Cb -0.12 -2.91 -0.02 0.00 0.80 0.00 0.00 33.01 30.76 1jbi s GLN 84 CO 0.08 0.70 -0.18 -1.54 -0.50 0.00 0.00 175.29 173.85 1jbi s SER 85 N -1.24 2.09 0.03 6.67 1.04 0.12 -2.80 113.70 119.60 1jbi s SER 85 Ca 0.17 -0.50 0.02 0.00 0.48 0.00 0.00 55.95 56.12 1jbi s SER 85 Cb -0.12 -0.15 -0.02 0.00 0.10 0.00 0.00 66.02 65.83 1jbi s SER 85 CO 0.07 0.09 -0.07 0.00 0.98 0.00 0.00 173.24 174.31 1jbi s GLN 86 N -1.21 0.50 0.93 4.02 0.00 -0.79 -1.21 119.66 121.90 1jbi s GLN 86 Ca 0.05 -0.61 -0.11 0.00 -0.00 0.00 0.00 55.36 54.69 1jbi s GLN 86 Cb -0.08 -0.32 0.12 0.00 0.00 0.00 0.00 33.01 32.72 1jbi s GLN 86 CO 0.02 0.07 0.96 0.00 0.00 0.00 0.00 175.29 176.34 1jbi n MET 87 N 1.85 -0.42 -4.44 9.60 0.00 -0.65 -0.88 117.12 122.19 1jbi n MET 87 Ca -0.20 -0.06 -0.23 0.00 0.00 0.00 0.00 57.70 57.20 1jbi n MET 87 Cb 0.56 -2.25 -0.08 0.00 0.00 0.00 0.00 33.22 31.45 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 -5.23 1.90 -0.86 3.17 1.02 -1.26 -4.83 118.68 112.59 1jbi s LEU 88 Ca 0.64 -1.70 -0.08 0.00 0.02 0.00 0.00 54.13 53.01 1jbi s LEU 88 Cb -0.23 0.11 0.22 0.00 0.02 0.00 0.00 46.19 46.31 1jbi s LEU 88 CO 0.60 -0.97 0.78 -0.94 0.02 0.00 0.00 176.35 175.84 1jbi s SER 89 N -3.53 6.43 -0.99 2.29 1.04 -1.26 -4.59 113.70 113.09 1jbi s SER 89 Ca 0.29 -3.11 -0.06 0.00 0.48 0.00 0.00 55.95 53.55 1jbi s SER 89 Cb 0.02 -2.08 -0.05 0.00 0.10 0.00 0.00 66.02 64.02 1jbi s SER 89 CO 0.18 -0.40 0.85 -1.14 0.98 0.00 0.00 173.24 173.72 1jbi n ARG 90 N 3.30 -1.91 -2.69 4.02 0.63 -1.26 -4.89 116.66 113.87 1jbi n ARG 90 Ca 0.16 0.96 -0.42 0.00 -0.92 0.00 0.00 57.85 57.63 1jbi n ARG 90 Cb 0.42 -5.55 -0.03 0.00 0.45 0.00 0.00 32.46 27.74 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 -3.30 2.62 0.00 -0.14 -0.11 -0.67 -4.86 118.94 112.48 1jbi s TRP 91 Ca 0.35 0.10 0.00 0.00 1.22 0.00 0.00 56.10 57.78 1jbi s TRP 91 Cb -0.06 -4.37 0.00 0.00 -1.50 0.00 0.00 33.47 27.54 1jbi s TRP 91 CO 0.76 -1.60 1.29 0.43 -4.62 0.00 0.00 176.95 173.20 1jbi n SER 92 N 8.21 3.63 -3.25 5.86 7.64 -1.26 -3.08 113.62 131.37 1jbi n SER 92 Ca 0.04 -2.04 -0.04 0.00 1.01 0.00 0.00 58.87 57.83 1jbi n SER 92 Cb 0.48 -0.69 -0.04 0.00 -1.01 0.00 0.00 64.21 62.96 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 0.08 -1.64 0.16 -0.43 0.00 -1.26 -4.66 121.76 114.00 1jbi s ALA 93 Ca 0.00 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.37 1jbi s ALA 93 Cb 0.00 -2.29 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 1jbi s ALA 93 CO 0.00 -1.86 0.01 -1.12 0.00 0.00 0.00 175.76 172.79 1jbi s SER 94 N 2.48 1.04 0.28 0.00 0.01 -1.25 -1.11 113.70 115.15 1jbi s SER 94 Ca 0.11 -1.17 -0.11 0.00 1.31 0.00 0.00 55.95 56.08 1jbi s SER 94 Cb -0.11 0.15 0.01 0.00 0.21 0.00 0.00 66.02 66.27 1jbi s SER 94 CO -0.25 -0.59 0.53 0.72 0.41 0.00 0.00 173.24 174.06 1jbi s PHE 95 N -3.73 0.45 -0.01 2.43 -0.71 -0.03 -1.19 117.98 115.19 1jbi s PHE 95 Ca 0.23 -0.82 0.01 0.00 -1.04 0.00 0.00 56.93 55.30 1jbi s PHE 95 Cb 0.06 0.24 0.01 0.00 -1.21 0.00 0.00 43.02 42.12 1jbi s PHE 95 CO 0.03 -1.10 -0.02 -0.08 -1.34 0.00 0.00 175.22 172.70 1jbi s THR 96 N -3.62 0.20 0.22 -4.49 -1.32 0.18 -0.39 115.64 106.42 1jbi s THR 96 Ca 0.23 -0.06 0.07 0.00 -1.21 0.00 0.00 61.69 60.71 1jbi s THR 96 Cb -0.01 -0.21 -0.04 0.00 -1.51 0.00 0.00 72.50 70.73 1jbi s THR 96 CO 0.12 0.08 0.15 0.54 -2.21 0.00 0.00 174.62 173.30 1jbi s VAL 97 N 0.23 4.34 0.27 5.08 0.11 -1.26 -0.77 120.40 128.40 1jbi s VAL 97 Ca -0.02 -1.34 -0.08 0.00 -2.93 0.00 0.00 61.98 57.61 1jbi s VAL 97 Cb -0.04 -3.29 -0.01 0.00 -1.53 0.00 0.00 36.38 31.51 1jbi s VAL 97 CO -0.01 -0.26 0.44 0.42 -3.33 0.00 0.00 175.10 172.37 1jbi s THR 98 N -2.00 0.00 0.89 5.04 -4.23 0.67 -4.97 115.64 111.05 1jbi s THR 98 Ca 0.32 -1.53 -0.12 0.00 -1.18 0.00 0.00 61.69 59.18 1jbi s THR 98 Cb -0.09 -2.40 0.13 0.00 1.34 0.00 0.00 72.50 71.48 1jbi s THR 98 CO 0.24 0.00 1.12 -0.76 -0.54 0.00 0.00 174.62 174.67 1jbi s LEU 99 N -3.10 2.12 0.00 4.79 1.43 -1.26 -0.86 118.68 121.79 1jbi s LEU 99 Ca 0.27 1.13 0.26 0.00 -1.03 0.00 0.00 54.13 54.76 1jbi s LEU 99 Cb 0.00 -3.52 0.61 0.00 0.03 0.00 0.00 46.19 43.32 1jbi s LEU 99 CO 0.13 -2.49 1.50 1.21 0.23 0.00 0.00 176.35 176.93