#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 0.26 0.88 1.79 0.00 -1.26 -5.11 121.76 118.32 1jbi s ALA 2 Ca 0.00 -0.69 -0.12 0.00 0.00 0.00 0.00 51.96 51.15 1jbi s ALA 2 Cb 0.00 0.14 0.12 0.00 0.00 0.00 0.00 23.12 23.38 1jbi s ALA 2 CO 0.00 -0.15 1.15 -1.25 0.00 0.00 0.00 175.76 175.52 1jbi s PRO 3 N -1.72 1.38 -0.13 0.00 0.04 -1.26 -4.63 135.00 128.67 1jbi s PRO 3 Ca -0.12 0.22 -0.01 0.00 0.04 0.00 0.00 61.00 61.12 1jbi s PRO 3 Cb -0.08 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 1jbi s PRO 3 CO -0.01 -2.02 -0.11 0.42 0.04 0.00 0.00 177.00 175.32 1jbi s ILE 4 N -3.39 3.29 -0.51 0.56 1.09 -0.33 -4.99 121.20 116.93 1jbi s ILE 4 Ca 0.63 -0.58 -0.26 0.00 -1.10 0.00 0.00 60.65 59.34 1jbi s ILE 4 Cb -0.13 -2.40 0.03 0.00 -1.06 0.00 0.00 42.46 38.90 1jbi s ILE 4 CO 0.52 0.52 1.02 0.00 -0.10 0.00 0.00 174.94 176.90 1jbi s ALA 5 N 0.31 3.16 0.51 9.38 0.00 -1.26 -1.70 121.76 132.16 1jbi s ALA 5 Ca -0.08 -0.83 0.08 0.00 0.00 0.00 0.00 51.96 51.13 1jbi s ALA 5 Cb -0.15 -3.79 0.05 0.00 0.00 0.00 0.00 23.12 19.23 1jbi s ALA 5 CO 0.05 -2.28 0.70 0.96 0.00 0.00 0.00 175.76 175.19 1jbi s ILE 6 N 4.17 2.56 -0.24 0.00 -5.25 -0.94 -4.98 121.20 116.52 1jbi s ILE 6 Ca 0.39 -0.95 0.13 0.00 -0.99 0.00 0.00 60.65 59.23 1jbi s ILE 6 Cb -0.09 -2.61 0.56 0.00 2.95 0.00 0.00 42.46 43.26 1jbi s ILE 6 CO 0.26 0.00 1.50 1.07 -1.79 0.00 0.00 174.94 175.98 1jbi n THR 7 N -2.11 2.48 -1.47 8.37 5.66 -1.26 -4.35 114.28 121.60 1jbi n THR 7 Ca 0.12 -2.12 -0.16 0.00 -3.05 0.00 0.00 64.05 58.83 1jbi n THR 7 Cb 0.60 -0.30 -0.07 0.00 -1.55 0.00 0.00 70.33 69.02 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 -2.13 0.00 -0.80 0.00 7.35 -1.26 -4.74 117.46 115.88 1jbi n PHE 9 Ca -0.16 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.20 1jbi n PHE 9 Cb 0.57 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.35 1jbi n PHE 9 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1jbi n THR 10 N -1.94 0.00 -1.80 -2.13 -1.04 -1.26 -4.59 114.28 101.51 1jbi n THR 10 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.72 1jbi n THR 10 Cb 0.35 -0.24 0.09 0.00 -1.82 0.00 0.00 70.33 68.71 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 1.65 2.02 0.21 -2.82 1.81 -1.26 -1.76 118.95 118.79 1jbi s ARG 11 Ca 0.51 0.26 0.16 0.00 -1.72 0.00 0.00 55.73 54.95 1jbi s ARG 11 Cb -0.72 -1.94 0.82 0.00 -0.45 0.00 0.00 34.95 32.66 1jbi s ARG 11 CO 0.38 -1.59 1.50 0.41 -0.68 0.00 0.00 175.30 175.32 1jbi n GLY 12 N -2.96 -0.85 0.21 -3.53 0.00 0.26 -2.37 105.19 95.95 1jbi n GLY 12 Ca 0.07 0.12 -0.02 0.00 0.00 0.00 0.00 46.02 46.19 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 0.30 -0.96 0.99 3.38 -1.57 -3.00 115.31 114.45 1jbi h LEU 13 Ca 0.00 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1jbi h LEU 13 Cb 0.08 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1jbi h LEU 13 CO 0.00 0.64 0.07 0.44 0.09 0.00 0.00 178.44 179.68 1jbi h ASP 14 N 0.25 0.78 -3.39 -0.43 5.19 -1.80 -3.41 116.42 113.61 1jbi h ASP 14 Ca 0.03 -0.16 -0.62 0.00 -0.62 0.00 0.00 57.03 55.66 1jbi h ASP 14 Cb 0.75 -0.21 -0.40 0.00 0.18 0.00 0.00 39.33 39.65 1jbi h ASP 14 CO 0.06 0.81 -0.74 -0.63 -3.12 0.00 0.00 179.24 175.61 1jbi s ILE 15 N -5.11 1.48 -0.31 0.35 1.01 -1.13 -4.98 121.20 112.52 1jbi s ILE 15 Ca -0.10 -1.79 0.07 0.00 0.00 0.00 0.00 60.65 58.83 1jbi s ILE 15 Cb 0.15 -2.10 0.46 0.00 0.01 0.00 0.00 42.46 40.98 1jbi s ILE 15 CO 0.81 -0.63 1.28 0.54 0.00 0.00 0.00 174.94 176.94 1jbi n ARG 16 N 4.59 3.10 -1.43 2.79 1.74 -1.26 -4.93 116.66 121.27 1jbi n ARG 16 Ca 0.00 -3.90 -0.30 0.00 -0.77 0.00 0.00 57.85 52.89 1jbi n ARG 16 Cb 0.42 -2.14 0.12 0.00 -1.02 0.00 0.00 32.46 29.83 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 -3.54 1.55 0.20 5.56 1.02 -1.26 -4.96 119.74 118.32 1jbi s LYS 17 Ca 0.50 0.60 -0.11 0.00 0.02 0.00 0.00 55.97 56.98 1jbi s LYS 17 Cb 0.41 -1.86 0.24 0.00 -0.52 0.00 0.00 37.83 36.10 1jbi s LYS 17 CO 0.02 -1.98 1.71 1.49 -0.92 0.00 0.00 175.35 175.67 1jbi h GLU 18 N -1.35 0.26 -3.46 1.68 4.57 -1.96 -3.34 114.58 110.97 1jbi h GLU 18 Ca -0.49 -0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 57.57 1jbi h GLU 18 Cb 1.29 -0.06 -0.17 0.00 -0.16 0.00 0.00 28.75 29.65 1jbi h GLU 18 CO 0.58 0.17 -0.35 -1.59 -1.18 0.00 0.00 179.01 176.64 1jbi s LYS 19 N -6.12 0.71 -0.16 1.92 -2.85 -1.26 -0.67 119.74 111.31 1jbi s LYS 19 Ca -0.13 -0.56 -0.11 0.00 -1.00 0.00 0.00 55.97 54.16 1jbi s LYS 19 Cb 0.16 0.30 0.05 0.00 -2.06 0.00 0.00 37.83 36.28 1jbi s LYS 19 CO 0.73 -0.21 0.41 0.00 0.10 0.00 0.00 175.35 176.38 1jbi s ALA 20 N -2.44 -1.02 -0.21 0.59 0.00 -0.00 -4.97 121.76 113.70 1jbi s ALA 20 Ca -0.06 1.37 -0.17 0.00 0.00 0.00 0.00 51.96 53.11 1jbi s ALA 20 Cb -0.02 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 1jbi s ALA 20 CO -0.03 -0.24 0.44 -0.51 0.00 0.00 0.00 175.76 175.42 1jbi s ASP 21 N 0.94 6.45 0.02 0.00 1.01 -1.26 -0.18 116.67 123.65 1jbi s ASP 21 Ca -0.06 0.54 0.06 0.00 0.71 0.00 0.00 52.55 53.80 1jbi s ASP 21 Cb -0.06 -2.25 -0.02 0.00 1.01 0.00 0.00 42.92 41.60 1jbi s ASP 21 CO -0.08 -0.13 -0.17 0.68 0.21 0.00 0.00 175.17 175.68 1jbi s VAL 22 N 1.54 1.39 -0.06 -1.27 -7.23 0.23 -1.19 120.40 113.82 1jbi s VAL 22 Ca 0.20 -0.98 0.04 0.00 -1.81 0.00 0.00 61.98 59.43 1jbi s VAL 22 Cb -0.15 -1.21 -0.02 0.00 0.56 0.00 0.00 36.38 35.57 1jbi s VAL 22 CO 0.09 0.20 -0.19 -0.76 -0.31 0.00 0.00 175.10 174.13 1jbi s LEU 23 N -0.90 2.45 -0.89 1.32 2.01 -0.69 -0.59 118.68 121.39 1jbi s LEU 23 Ca 0.05 -0.35 -0.01 0.00 0.01 0.00 0.00 54.13 53.84 1jbi s LEU 23 Cb -0.08 -1.48 0.22 0.00 0.01 0.00 0.00 46.19 44.86 1jbi s LEU 23 CO 0.01 0.28 0.78 0.00 1.01 0.00 0.00 176.35 178.43 1jbi s PRO 25 N -1.43 1.40 2.90 0.00 0.04 -1.26 -1.81 135.00 134.83 1jbi s PRO 25 Ca 0.28 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1jbi s PRO 25 Cb -0.06 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1jbi s PRO 25 CO -0.13 -2.37 0.00 0.41 0.04 0.00 0.00 177.00 174.96 1jbi n GLY 26 N 0.23 -0.53 0.00 0.56 0.00 -1.26 -4.60 105.19 99.60 1jbi n GLY 26 Ca 0.12 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 0.41 3.58 -0.02 0.00 -1.26 -4.05 105.19 103.85 1jbi n GLY 27 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.33 1.48 -1.27 0.00 0.04 -1.26 -4.73 135.00 125.93 1jbi s PRO 29 Ca 0.24 1.45 -0.11 0.00 0.04 0.00 0.00 61.00 62.62 1jbi s PRO 29 Cb -0.03 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.66 1jbi s PRO 29 CO 0.88 -2.27 2.42 1.28 0.04 0.00 0.00 177.00 179.35 1jbi n LEU 30 N -3.91 6.63 0.00 -3.56 4.77 -1.26 -4.54 117.00 115.13 1jbi n LEU 30 Ca 0.11 -3.69 0.00 0.00 -0.03 0.00 0.00 56.01 52.40 1jbi n LEU 30 Cb 0.52 -1.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.23 1jbi n LEU 30 CO 0.50 1.12 0.00 1.21 -1.33 0.00 0.00 177.39 178.89 1jbi n GLU 31 N 4.75 0.00 -3.70 3.23 2.13 -1.26 -4.99 120.64 120.79 1jbi n GLU 31 Ca 0.59 0.13 -0.20 0.00 0.66 0.00 0.00 57.16 58.35 1jbi n GLU 31 Cb 0.26 -0.52 -0.18 0.00 0.27 0.00 0.00 31.44 31.27 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 -0.42 -0.01 -0.17 5.31 2.02 -1.26 -5.11 118.70 119.07 1jbi s GLU 32 Ca 0.00 0.33 -0.02 0.00 0.02 0.00 0.00 54.97 55.30 1jbi s GLU 32 Cb 0.00 -0.52 0.05 0.00 0.10 0.00 0.00 34.13 33.76 1jbi s GLU 32 CO 0.00 -0.31 0.00 -0.06 0.02 0.00 0.00 175.26 174.92 1jbi s PHE 33 N 2.01 1.22 -0.28 1.61 0.08 -1.26 -4.95 117.98 116.42 1jbi s PHE 33 Ca 0.03 -0.85 -0.03 0.00 0.12 0.00 0.00 56.93 56.20 1jbi s PHE 33 Cb -0.12 -1.09 0.03 0.00 -0.57 0.00 0.00 43.02 41.26 1jbi s PHE 33 CO -0.03 -0.57 -0.00 0.45 -0.10 0.00 0.00 175.22 174.96 1jbi s SER 34 N 1.79 4.70 0.17 1.36 0.15 -1.26 -4.48 113.70 116.13 1jbi s SER 34 Ca 0.00 -0.90 0.10 0.00 0.70 0.00 0.00 55.95 55.85 1jbi s SER 34 Cb -0.16 -1.75 -0.04 0.00 -1.71 0.00 0.00 66.02 62.36 1jbi s SER 34 CO -0.07 -0.18 -0.19 -0.69 1.20 0.00 0.00 173.24 173.31 1jbi s VAL 35 N 1.37 2.69 -0.20 4.45 1.01 -1.20 -1.80 120.40 126.72 1jbi s VAL 35 Ca -0.00 -1.80 -0.03 0.00 0.00 0.00 0.00 61.98 60.15 1jbi s VAL 35 Cb -0.17 -2.29 0.06 0.00 0.00 0.00 0.00 36.38 33.98 1jbi s VAL 35 CO -0.02 -0.06 0.03 -0.31 0.00 0.00 0.00 175.10 174.74 1jbi s TYR 36 N -1.54 1.11 0.00 5.22 1.51 -1.26 -1.57 117.35 120.81 1jbi s TYR 36 Ca 0.21 -0.92 0.00 0.00 -1.01 0.00 0.00 57.07 55.35 1jbi s TYR 36 Cb -0.09 -1.06 0.00 0.00 -0.11 0.00 0.00 41.96 40.70 1jbi s TYR 36 CO 0.11 -0.62 0.00 0.41 -1.11 0.00 0.00 175.55 174.34 1jbi n GLY 37 N 5.03 -2.29 3.88 0.71 0.00 0.59 -0.62 105.19 112.49 1jbi n GLY 37 Ca -0.09 -1.34 -0.34 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.67 6.52 0.00 1.61 4.22 -1.22 -4.41 114.94 118.98 1jbi s ASN 38 Ca 0.00 0.60 0.00 0.00 -2.14 0.00 0.00 52.86 51.32 1jbi s ASN 38 Cb 0.00 -2.10 0.00 0.00 1.28 0.00 0.00 41.25 40.43 1jbi s ASN 38 CO 0.00 0.21 0.00 -0.38 -2.04 0.00 0.00 177.10 174.89 1jbi n ILE 39 N 0.95 0.00 -2.72 0.54 2.08 -1.26 -4.59 119.36 114.37 1jbi n ILE 39 Ca -0.09 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 62.79 1jbi n ILE 39 Cb 0.53 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 4.14 -0.37 1.39 1.01 -1.26 -4.18 120.40 121.13 1jbi s VAL 40 Ca 0.00 -0.48 -0.26 0.00 0.00 0.00 0.00 61.98 61.24 1jbi s VAL 40 Cb 0.00 -4.86 0.02 0.00 0.00 0.00 0.00 36.38 31.54 1jbi s VAL 40 CO 0.00 -1.69 0.93 -0.31 0.00 0.00 0.00 175.10 174.03 1jbi s TYR 41 N 4.47 3.07 0.73 5.22 2.02 0.56 -4.15 117.35 129.27 1jbi s TYR 41 Ca 0.33 0.77 -0.15 0.00 -0.37 0.00 0.00 57.07 57.66 1jbi s TYR 41 Cb -0.08 -3.67 0.04 0.00 -0.40 0.00 0.00 41.96 37.85 1jbi s TYR 41 CO 0.03 -0.84 1.19 0.00 -1.57 0.00 0.00 175.55 174.36 1jbi s ALA 42 N 3.50 2.15 0.35 3.71 0.00 0.21 -0.50 121.76 131.18 1jbi s ALA 42 Ca 0.38 0.82 0.14 0.00 0.00 0.00 0.00 51.96 53.30 1jbi s ALA 42 Cb -0.12 -3.45 1.00 0.00 0.00 0.00 0.00 23.12 20.56 1jbi s ALA 42 CO 0.19 -1.82 1.73 1.03 0.00 0.00 0.00 175.76 176.89 1jbi h SER 43 N -0.30 0.57 0.33 0.00 0.87 -1.72 -0.63 113.55 112.67 1jbi h SER 43 Ca -0.47 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1jbi h SER 43 Cb 1.29 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 1jbi h SER 43 CO 0.50 0.05 0.00 0.55 -0.53 0.00 0.00 176.83 177.40 1jbi n VAL 44 N -4.82 1.00 -2.05 2.23 3.14 -1.26 -1.62 118.33 114.95 1jbi n VAL 44 Ca 0.28 0.49 -0.38 0.00 -2.96 0.00 0.00 64.34 61.76 1jbi n VAL 44 Cb 0.85 -1.45 0.01 0.00 -1.06 0.00 0.00 33.84 32.19 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 -4.02 5.89 0.22 6.55 0.01 -0.24 -4.64 113.70 117.46 1jbi s SER 45 Ca 0.01 2.54 -0.30 0.00 1.31 0.00 0.00 55.95 59.51 1jbi s SER 45 Cb 0.07 -2.62 -0.09 0.00 0.21 0.00 0.00 66.02 63.59 1jbi s SER 45 CO 0.27 -1.13 1.34 -0.55 0.41 0.00 0.00 173.24 173.58 1jbi s SER 46 N -1.08 6.83 0.15 2.44 0.15 -0.75 -0.57 113.70 120.87 1jbi s SER 46 Ca 0.65 2.49 -0.12 0.00 0.70 0.00 0.00 55.95 59.66 1jbi s SER 46 Cb -0.35 -2.62 0.03 0.00 -1.71 0.00 0.00 66.02 61.38 1jbi s SER 46 CO 0.42 -0.56 1.64 0.40 1.20 0.00 0.00 173.24 176.34 1jbi h ILE 47 N 3.62 1.25 -0.05 6.45 2.04 -1.59 0.04 117.51 129.26 1jbi h ILE 47 Ca -0.45 -0.95 0.02 0.00 1.00 0.00 0.00 64.86 64.48 1jbi h ILE 47 Cb 1.22 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 1jbi h ILE 47 CO 0.76 0.34 -0.07 0.00 0.00 0.00 0.00 178.15 179.18 1jbi h GLY 49 N -0.10 -0.57 0.51 0.00 0.00 -1.83 0.10 103.07 101.18 1jbi h GLY 49 Ca 0.05 0.40 0.04 0.00 0.00 0.00 0.00 47.33 47.82 1jbi h GLY 49 CO -0.12 -0.24 -0.13 0.00 0.00 0.00 0.00 176.54 176.05 1jbi h ALA 50 N 0.21 -0.04 0.08 3.60 0.00 -0.79 -0.65 119.26 121.66 1jbi h ALA 50 Ca 0.06 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1jbi h ALA 50 Cb 0.57 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1jbi h ALA 50 CO -0.27 -0.58 -0.04 0.00 0.00 0.00 0.00 179.25 178.36 1jbi h ALA 51 N 0.91 -0.11 -0.52 0.00 0.00 -0.47 0.24 119.26 119.32 1jbi h ALA 51 Ca 0.09 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1jbi h ALA 51 Cb 0.29 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1jbi h ALA 51 CO -0.22 -0.46 0.00 0.28 0.00 0.00 0.00 179.25 178.85 1jbi h VAL 52 N -0.31 1.26 -0.23 0.00 2.07 -0.80 0.18 116.25 118.42 1jbi h VAL 52 Ca -0.01 -1.09 0.02 0.00 0.82 0.00 0.00 66.70 66.44 1jbi h VAL 52 Cb 0.26 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1jbi h VAL 52 CO 0.02 0.39 0.08 -0.74 0.02 0.00 0.00 177.57 177.34 1jbi h HIS 53 N 0.79 0.15 -0.03 1.57 6.17 -1.05 -1.94 115.15 120.80 1jbi h HIS 53 Ca 0.15 0.01 0.01 0.00 0.71 0.00 0.00 60.37 61.25 1jbi h HIS 53 Cb 0.53 -0.03 -0.00 0.00 2.52 0.00 0.00 27.41 30.42 1jbi h HIS 53 CO 0.04 0.07 0.06 -0.09 0.71 0.00 0.00 177.93 178.72 1jbi h ARG 54 N 0.19 0.00 -2.14 5.26 9.65 -0.79 -3.45 114.38 123.09 1jbi h ARG 54 Ca 0.10 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.94 1jbi h ARG 54 Cb 0.07 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 28.67 1jbi h ARG 54 CO -0.10 0.00 -0.09 0.41 2.80 0.00 0.00 179.97 182.98 1jbi n GLY 55 N -1.25 0.50 0.11 2.80 0.00 -0.69 -5.00 105.19 101.66 1jbi n GLY 55 Ca -0.02 -0.46 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 1jbi n GLY 55 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1jbi n VAL 56 N -1.91 1.51 -4.34 1.61 0.31 -0.03 -5.01 118.33 110.47 1jbi n VAL 56 Ca -0.02 -0.08 -0.17 0.00 -0.01 0.00 0.00 64.34 64.05 1jbi n VAL 56 Cb 0.52 -2.07 -0.10 0.00 -0.91 0.00 0.00 33.84 31.27 1jbi n VAL 56 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1jbi s ILE 57 N -2.43 0.84 0.52 2.52 -4.36 -1.25 -4.97 121.20 112.08 1jbi s ILE 57 Ca -0.30 -2.01 0.07 0.00 -0.26 0.00 0.00 60.65 58.16 1jbi s ILE 57 Cb 0.08 -2.53 0.04 0.00 1.25 0.00 0.00 42.46 41.30 1jbi s ILE 57 CO 0.50 -0.15 0.51 -0.44 0.24 0.00 0.00 174.94 175.60 1jbi s SER 58 N -3.33 4.87 -0.89 4.36 0.01 -1.26 -4.15 113.70 113.31 1jbi s SER 58 Ca 0.33 -1.01 -0.22 0.00 1.31 0.00 0.00 55.95 56.36 1jbi s SER 58 Cb 0.07 0.16 -0.13 0.00 0.21 0.00 0.00 66.02 66.32 1jbi s SER 58 CO 0.12 -1.07 1.93 -3.20 0.41 0.00 0.00 173.24 171.42 1jbi n ASN 59 N -1.86 2.72 0.00 2.44 4.05 -1.26 -3.16 115.26 118.19 1jbi n ASN 59 Ca 0.05 -2.69 0.00 0.00 0.45 0.00 0.00 54.58 52.39 1jbi n ASN 59 Cb 0.63 -1.29 0.00 0.00 1.23 0.00 0.00 39.78 40.35 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 9.28 0.00 0.00 1.20 2.88 -1.13 -4.96 113.62 120.90 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 0.42 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 -3.05 0.00 0.46 0.00 -1.18 -4.21 105.19 97.22 1jbi n GLY 61 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.34 0.98 3.82 -0.02 0.00 -0.75 -4.60 105.19 104.28 1jbi n GLY 62 Ca 0.00 -1.97 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.32 3.86 0.12 1.61 0.04 -1.26 -1.16 135.00 136.88 1jbi s PRO 63 Ca 0.00 1.14 -0.12 0.00 0.04 0.00 0.00 61.00 62.06 1jbi s PRO 63 Cb 0.00 -2.12 0.01 0.00 0.04 0.00 0.00 34.50 32.44 1jbi s PRO 63 CO 0.00 -0.36 0.31 0.08 0.04 0.00 0.00 177.00 177.07 1jbi s VAL 64 N -2.33 0.10 -0.13 -0.36 1.01 0.24 -4.71 120.40 114.22 1jbi s VAL 64 Ca 0.63 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 1jbi s VAL 64 Cb -0.12 -1.34 0.05 0.00 0.00 0.00 0.00 36.38 34.96 1jbi s VAL 64 CO 0.25 -0.44 0.07 -0.60 0.00 0.00 0.00 175.10 174.38 1jbi s ARG 65 N -3.85 0.12 0.30 2.72 3.52 0.62 -0.60 118.95 121.79 1jbi s ARG 65 Ca 0.06 0.03 -0.17 0.00 -0.13 0.00 0.00 55.73 55.52 1jbi s ARG 65 Cb 0.03 -1.42 -0.09 0.00 -1.56 0.00 0.00 34.95 31.91 1jbi s ARG 65 CO -0.10 -0.54 0.75 0.08 -0.81 0.00 0.00 175.30 174.68 1jbi s VAL 66 N 2.11 4.62 -0.07 7.11 1.01 0.75 -0.09 120.40 135.83 1jbi s VAL 66 Ca 0.03 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.11 1jbi s VAL 66 Cb -0.15 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.57 1jbi s VAL 66 CO -0.07 -0.08 -0.06 -0.31 0.00 0.00 0.00 175.10 174.58 1jbi s TYR 67 N -1.86 1.08 0.49 5.22 2.02 -0.18 -0.82 117.35 123.30 1jbi s TYR 67 Ca 0.52 -0.41 -0.23 0.00 -0.37 0.00 0.00 57.07 56.57 1jbi s TYR 67 Cb -0.12 -0.93 -0.07 0.00 -0.40 0.00 0.00 41.96 40.44 1jbi s TYR 67 CO 0.18 -0.33 1.27 -1.13 -1.57 0.00 0.00 175.55 173.98 1jbi n SER 68 N 4.47 2.41 -3.93 2.29 3.41 0.16 -1.25 113.62 121.19 1jbi n SER 68 Ca -0.17 1.02 -0.16 0.00 -0.26 0.00 0.00 58.87 59.30 1jbi n SER 68 Cb 0.51 -1.52 -0.15 0.00 -0.26 0.00 0.00 64.21 62.79 1jbi n SER 68 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1jbi s LEU 69 N -2.43 1.85 1.34 1.04 0.20 -0.47 -4.75 118.68 115.45 1jbi s LEU 69 Ca 0.67 -0.08 -0.19 0.00 0.69 0.00 0.00 54.13 55.21 1jbi s LEU 69 Cb -0.46 -0.26 0.34 0.00 -0.43 0.00 0.00 46.19 45.38 1jbi s LEU 69 CO 0.53 0.03 0.97 -2.16 -0.29 0.00 0.00 176.35 175.43 1jbi s PRO 70 N 0.12 -2.27 0.16 0.98 0.04 -1.26 -2.41 135.00 130.35 1jbi s PRO 70 Ca -0.01 0.34 -0.34 0.00 0.04 0.00 0.00 61.00 61.03 1jbi s PRO 70 Cb -0.04 -1.44 -0.14 0.00 0.04 0.00 0.00 34.50 32.92 1jbi s PRO 70 CO -0.00 -4.49 1.59 0.41 0.04 0.00 0.00 177.00 174.54 1jbi n GLY 71 N 1.10 1.15 3.34 0.56 0.00 -1.26 -4.18 105.19 105.91 1jbi n GLY 71 Ca 0.09 0.65 -0.18 0.00 0.00 0.00 0.00 46.02 46.59 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 0.95 1.37 0.32 1.61 1.81 -0.79 -4.95 118.95 119.27 1jbi s ARG 72 Ca 0.79 -1.70 -0.17 0.00 -1.72 0.00 0.00 55.73 52.93 1jbi s ARG 72 Cb -0.67 -0.69 0.03 0.00 -0.45 0.00 0.00 34.95 33.18 1jbi s ARG 72 CO 0.38 -0.08 0.71 -1.83 -0.68 0.00 0.00 175.30 173.79 1jbi s GLU 73 N -3.85 1.93 -1.31 3.54 -1.05 -1.26 -1.49 118.70 115.22 1jbi s GLU 73 Ca 0.29 -1.22 -0.17 0.00 -0.15 0.00 0.00 54.97 53.71 1jbi s GLU 73 Cb 0.06 0.59 0.02 0.00 -0.44 0.00 0.00 34.13 34.35 1jbi s GLU 73 CO 0.09 -0.88 0.50 0.09 0.95 0.00 0.00 175.26 176.01 1jbi n ASN 74 N -0.85 -2.50 -3.10 0.83 4.13 -1.26 -4.95 115.26 107.56 1jbi n ASN 74 Ca -0.05 -1.18 -0.17 0.00 1.68 0.00 0.00 54.58 54.86 1jbi n ASN 74 Cb 0.60 -2.29 0.13 0.00 -1.54 0.00 0.00 39.78 36.68 1jbi n ASN 74 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1jbi n TYR 75 N -4.64 -3.86 -4.47 3.10 4.02 -1.26 -5.07 117.16 104.98 1jbi n TYR 75 Ca -0.19 -0.65 -0.23 0.00 -0.01 0.00 0.00 57.90 56.82 1jbi n TYR 75 Cb 0.62 -0.61 -0.10 0.00 -0.02 0.00 0.00 39.34 39.24 1jbi n TYR 75 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1jbi s SER 76 N -3.63 2.45 -0.15 7.72 0.01 -1.26 -4.79 113.70 114.05 1jbi s SER 76 Ca 0.43 -1.49 0.01 0.00 1.31 0.00 0.00 55.95 56.21 1jbi s SER 76 Cb -0.02 0.17 0.01 0.00 0.21 0.00 0.00 66.02 66.38 1jbi s SER 76 CO 0.31 -0.74 -0.19 -0.44 0.41 0.00 0.00 173.24 172.59 1jbi s SER 77 N -3.52 3.35 0.02 2.44 0.01 -1.26 -3.02 113.70 111.71 1jbi s SER 77 Ca 0.31 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.02 1jbi s SER 77 Cb 0.06 -1.50 -0.02 0.00 0.21 0.00 0.00 66.02 64.78 1jbi s SER 77 CO 0.15 0.07 -0.03 -0.69 0.41 0.00 0.00 173.24 173.15 1jbi s VAL 78 N 0.86 0.14 -0.08 3.43 1.01 -0.90 -4.96 120.40 119.91 1jbi s VAL 78 Ca -0.05 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1jbi s VAL 78 Cb -0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.96 1jbi s VAL 78 CO -0.02 -0.37 -0.15 -0.62 0.00 0.00 0.00 175.10 173.94 1jbi s ASP 79 N -1.14 3.90 -0.07 3.32 -1.08 -1.26 -0.66 116.67 119.69 1jbi s ASP 79 Ca -0.12 -0.28 -0.31 0.00 -0.52 0.00 0.00 52.55 51.33 1jbi s ASP 79 Cb -0.08 -1.11 0.08 0.00 -1.46 0.00 0.00 42.92 40.36 1jbi s ASP 79 CO -0.01 0.27 0.75 0.00 0.52 0.00 0.00 175.17 176.71 1jbi s ALA 80 N -0.29 -1.80 -1.65 3.66 0.00 -0.15 -5.00 121.76 116.52 1jbi s ALA 80 Ca 0.02 1.36 -0.11 0.00 0.00 0.00 0.00 51.96 53.23 1jbi s ALA 80 Cb -0.13 -0.14 0.10 0.00 0.00 0.00 0.00 23.12 22.95 1jbi s ALA 80 CO 0.03 -0.37 0.47 0.09 0.00 0.00 0.00 175.76 175.98 1jbi n ASN 81 N 0.83 -1.28 -0.11 0.00 3.02 -1.26 -0.93 115.26 115.53 1jbi n ASN 81 Ca -0.17 -1.13 -0.01 0.00 -0.03 0.00 0.00 54.58 53.24 1jbi n ASN 81 Cb 0.57 -2.27 -0.01 0.00 -0.61 0.00 0.00 39.78 37.47 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 -1.74 0.52 3.13 7.41 0.00 -1.26 -4.83 105.19 108.41 1jbi n GLY 82 Ca -0.10 -0.44 -0.22 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.97 1.15 -0.03 -0.61 1.01 -0.11 -4.93 121.20 115.71 1jbi s ILE 83 Ca 0.00 -0.80 0.05 0.00 0.00 0.00 0.00 60.65 59.90 1jbi s ILE 83 Cb 0.00 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.45 1jbi s ILE 83 CO 0.00 0.18 -0.18 -1.58 0.00 0.00 0.00 174.94 173.37 1jbi s GLN 84 N -0.71 2.33 0.04 2.79 2.00 -1.26 -0.97 119.66 123.88 1jbi s GLN 84 Ca 0.04 -0.81 0.07 0.00 -2.00 0.00 0.00 55.36 52.67 1jbi s GLN 84 Cb -0.07 -2.26 -0.03 0.00 0.80 0.00 0.00 33.01 31.45 1jbi s GLN 84 CO 0.00 0.59 -0.18 -1.54 -0.50 0.00 0.00 175.29 173.67 1jbi s SER 85 N -0.84 3.84 -0.02 6.67 1.04 0.17 -3.23 113.70 121.33 1jbi s SER 85 Ca 0.12 -0.42 0.06 0.00 0.48 0.00 0.00 55.95 56.18 1jbi s SER 85 Cb -0.10 -0.63 -0.01 0.00 0.10 0.00 0.00 66.02 65.38 1jbi s SER 85 CO 0.01 0.25 -0.19 0.00 0.98 0.00 0.00 173.24 174.29 1jbi s GLN 86 N -1.49 1.64 1.12 4.02 -2.07 -0.61 -2.11 119.66 120.16 1jbi s GLN 86 Ca 0.15 -0.69 -0.15 0.00 -1.82 0.00 0.00 55.36 52.85 1jbi s GLN 86 Cb -0.11 -1.55 0.17 0.00 -1.09 0.00 0.00 33.01 30.44 1jbi s GLN 86 CO 0.06 0.39 0.48 0.00 -1.32 0.00 0.00 175.29 174.90 1jbi n MET 87 N 2.69 -1.74 -4.08 9.60 0.00 -1.17 -0.30 117.12 122.12 1jbi n MET 87 Ca -0.15 -0.48 -0.08 0.00 0.00 0.00 0.00 57.70 56.99 1jbi n MET 87 Cb 0.53 -1.92 -0.10 0.00 0.00 0.00 0.00 33.22 31.73 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 -3.74 2.31 -0.75 3.17 1.02 -1.26 -4.75 118.68 114.69 1jbi s LEU 88 Ca 0.61 -1.01 -0.15 0.00 0.02 0.00 0.00 54.13 53.60 1jbi s LEU 88 Cb -0.18 0.27 0.18 0.00 0.02 0.00 0.00 46.19 46.47 1jbi s LEU 88 CO 0.66 -0.63 0.74 -0.94 0.02 0.00 0.00 176.35 176.19 1jbi s SER 89 N -2.94 6.56 -0.68 2.29 1.04 -1.26 -4.07 113.70 114.65 1jbi s SER 89 Ca 0.09 -2.28 -0.03 0.00 0.48 0.00 0.00 55.95 54.21 1jbi s SER 89 Cb 0.08 -2.24 -0.04 0.00 0.10 0.00 0.00 66.02 63.92 1jbi s SER 89 CO -0.08 -0.75 0.60 -1.14 0.98 0.00 0.00 173.24 172.85 1jbi n ARG 90 N 4.78 -1.42 -2.74 4.02 0.63 -1.25 -4.96 116.66 115.72 1jbi n ARG 90 Ca 0.06 0.70 -0.43 0.00 -0.92 0.00 0.00 57.85 57.27 1jbi n ARG 90 Cb 0.45 -4.45 -0.03 0.00 0.45 0.00 0.00 32.46 28.87 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 -3.22 2.72 0.00 -0.14 -0.11 -0.55 -4.88 118.94 112.75 1jbi s TRP 91 Ca 0.26 0.15 0.00 0.00 1.22 0.00 0.00 56.10 57.73 1jbi s TRP 91 Cb -0.03 -4.25 0.00 0.00 -1.50 0.00 0.00 33.47 27.69 1jbi s TRP 91 CO 0.51 -1.45 1.28 0.43 -4.62 0.00 0.00 176.95 173.10 1jbi n SER 92 N 7.85 3.61 -3.15 5.86 7.64 -1.26 -1.88 113.62 132.29 1jbi n SER 92 Ca 0.04 -2.03 0.04 0.00 1.01 0.00 0.00 58.87 57.93 1jbi n SER 92 Cb 0.48 -0.68 -0.01 0.00 -1.01 0.00 0.00 64.21 62.99 1jbi n SER 92 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jbi s ALA 93 N 0.09 -2.73 0.35 -0.43 0.00 -1.26 -4.52 121.76 113.26 1jbi s ALA 93 Ca 0.00 1.50 0.04 0.00 0.00 0.00 0.00 51.96 53.50 1jbi s ALA 93 Cb 0.00 -2.41 -0.03 0.00 0.00 0.00 0.00 23.12 20.68 1jbi s ALA 93 CO 0.00 -1.58 0.17 -1.12 0.00 0.00 0.00 175.76 173.23 1jbi s SER 94 N 2.88 2.09 0.32 0.00 0.01 -1.01 -2.06 113.70 115.92 1jbi s SER 94 Ca 0.14 -1.64 -0.12 0.00 1.31 0.00 0.00 55.95 55.65 1jbi s SER 94 Cb -0.11 0.46 0.02 0.00 0.21 0.00 0.00 66.02 66.59 1jbi s SER 94 CO -0.21 -0.93 0.61 0.72 0.41 0.00 0.00 173.24 173.84 1jbi s PHE 95 N -3.41 0.41 -0.00 2.43 -0.71 0.35 -1.36 117.98 115.68 1jbi s PHE 95 Ca 0.32 -0.85 0.00 0.00 -1.04 0.00 0.00 56.93 55.36 1jbi s PHE 95 Cb 0.04 0.38 0.00 0.00 -1.21 0.00 0.00 43.02 42.23 1jbi s PHE 95 CO 0.18 -1.25 0.00 -0.08 -1.34 0.00 0.00 175.22 172.74 1jbi s THR 96 N -3.21 0.01 0.20 -4.49 -1.32 -0.38 -0.32 115.64 106.13 1jbi s THR 96 Ca 0.21 0.02 0.06 0.00 -1.21 0.00 0.00 61.69 60.77 1jbi s THR 96 Cb -0.03 -0.03 -0.04 0.00 -1.51 0.00 0.00 72.50 70.89 1jbi s THR 96 CO 0.13 0.02 0.13 0.54 -2.21 0.00 0.00 174.62 173.23 1jbi s VAL 97 N 0.13 4.33 0.16 5.08 0.11 -1.26 -1.01 120.40 127.94 1jbi s VAL 97 Ca -0.01 -1.28 -0.04 0.00 -2.93 0.00 0.00 61.98 57.71 1jbi s VAL 97 Cb -0.02 -3.26 0.02 0.00 -1.53 0.00 0.00 36.38 31.59 1jbi s VAL 97 CO -0.00 -0.21 0.29 0.35 -3.33 0.00 0.00 175.10 172.19 1jbi n THR 98 N -0.65 0.00 -3.98 5.04 -2.24 0.88 -4.98 114.28 108.35 1jbi n THR 98 Ca -0.08 -0.54 -0.25 0.00 -2.27 0.00 0.00 64.05 60.91 1jbi n THR 98 Cb 0.56 0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 69.19 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 4.23 0.00 3.22 1.43 -1.26 -0.27 118.68 126.03 1jbi s LEU 99 Ca 0.09 0.09 0.10 0.00 -1.03 0.00 0.00 54.13 53.38 1jbi s LEU 99 Cb -0.01 -2.80 0.62 0.00 0.03 0.00 0.00 46.19 44.02 1jbi s LEU 99 CO 0.06 0.03 1.06 1.21 0.23 0.00 0.00 176.35 178.95