#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jbi n ALA 2 N 0.00 0.00 -1.16 1.79 0.00 -1.26 -5.17 120.51 114.71 1jbi n ALA 2 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1jbi n ALA 2 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.61 1jbi n ALA 2 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1jbi s PRO 3 N -2.00 0.88 -0.17 0.00 0.04 -1.26 -4.71 135.00 127.78 1jbi s PRO 3 Ca 0.00 0.73 -0.04 0.00 0.04 0.00 0.00 61.00 61.73 1jbi s PRO 3 Cb 0.00 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.74 1jbi s PRO 3 CO 0.00 -2.47 -0.03 0.42 0.04 0.00 0.00 177.00 174.96 1jbi s ILE 4 N -2.92 3.92 -0.47 0.56 1.09 0.39 -4.97 121.20 118.80 1jbi s ILE 4 Ca 0.64 -0.34 -0.26 0.00 -1.10 0.00 0.00 60.65 59.59 1jbi s ILE 4 Cb -0.18 -2.73 0.03 0.00 -1.06 0.00 0.00 42.46 38.51 1jbi s ILE 4 CO 0.57 0.48 0.97 0.00 -0.10 0.00 0.00 174.94 176.86 1jbi s ALA 5 N 0.52 3.21 0.53 9.38 0.00 -1.26 -1.34 121.76 132.79 1jbi s ALA 5 Ca -0.02 -0.75 0.07 0.00 0.00 0.00 0.00 51.96 51.25 1jbi s ALA 5 Cb -0.14 -3.70 0.06 0.00 0.00 0.00 0.00 23.12 19.34 1jbi s ALA 5 CO 0.03 -2.12 0.72 0.96 0.00 0.00 0.00 175.76 175.35 1jbi s ILE 6 N 3.91 2.53 -0.23 0.00 -5.25 -0.95 -4.97 121.20 116.24 1jbi s ILE 6 Ca 0.39 -0.93 0.14 0.00 -0.99 0.00 0.00 60.65 59.27 1jbi s ILE 6 Cb -0.10 -2.61 0.71 0.00 2.95 0.00 0.00 42.46 43.41 1jbi s ILE 6 CO 0.27 0.00 1.64 1.07 -1.79 0.00 0.00 174.94 176.13 1jbi n THR 7 N -2.16 2.62 -2.12 8.37 5.66 -1.26 -4.28 114.28 121.12 1jbi n THR 7 Ca 0.12 -1.64 -0.14 0.00 -3.05 0.00 0.00 64.05 59.34 1jbi n THR 7 Cb 0.60 -0.28 -0.02 0.00 -1.55 0.00 0.00 70.33 69.08 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 -3.00 0.00 -1.50 0.00 7.35 -1.26 -4.63 117.46 114.41 1jbi n PHE 9 Ca -0.15 0.00 -0.57 0.00 -0.76 0.00 0.00 57.45 55.96 1jbi n PHE 9 Cb 0.57 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.33 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 -1.85 0.20 -2.67 -2.13 -1.04 -1.26 -4.73 114.28 100.81 1jbi n THR 10 Ca 0.00 -0.05 -0.25 0.00 -2.04 0.00 0.00 64.05 61.71 1jbi n THR 10 Cb 0.32 -0.09 0.02 0.00 -1.82 0.00 0.00 70.33 68.76 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 -0.05 2.98 0.00 -2.82 0.52 -1.26 -1.05 118.95 117.27 1jbi s ARG 11 Ca 0.88 -0.24 0.07 0.00 -0.52 0.00 0.00 55.73 55.92 1jbi s ARG 11 Cb -1.20 -2.41 0.35 0.00 0.52 0.00 0.00 34.95 32.21 1jbi s ARG 11 CO 0.56 -0.50 1.06 0.41 0.02 0.00 0.00 175.30 176.85 1jbi n GLY 12 N -2.35 -0.49 0.20 -3.53 0.00 0.07 -2.18 105.19 96.90 1jbi n GLY 12 Ca 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 0.19 -0.60 0.99 3.38 -1.51 -2.95 115.31 114.82 1jbi h LEU 13 Ca 0.00 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1jbi h LEU 13 Cb 0.06 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1jbi h LEU 13 CO 0.00 0.57 -0.40 0.44 0.09 0.00 0.00 178.44 179.14 1jbi h ASP 14 N 0.16 0.00 -3.67 -0.43 5.19 -1.76 -3.38 116.42 112.53 1jbi h ASP 14 Ca 0.02 0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 55.81 1jbi h ASP 14 Cb 0.76 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 39.87 1jbi h ASP 14 CO 0.06 0.40 -0.71 -0.63 -3.12 0.00 0.00 179.24 175.24 1jbi s ILE 15 N -3.36 1.70 -0.38 0.35 1.01 -1.11 -4.95 121.20 114.47 1jbi s ILE 15 Ca 0.02 -2.49 0.05 0.00 0.00 0.00 0.00 60.65 58.23 1jbi s ILE 15 Cb 0.09 -2.21 0.46 0.00 0.01 0.00 0.00 42.46 40.81 1jbi s ILE 15 CO 0.70 -0.79 1.40 0.54 0.00 0.00 0.00 174.94 176.79 1jbi n ARG 16 N 3.78 3.31 -1.45 2.79 1.74 -1.26 -4.88 116.66 120.71 1jbi n ARG 16 Ca 0.05 -3.92 -0.29 0.00 -0.77 0.00 0.00 57.85 52.93 1jbi n ARG 16 Cb 0.36 -2.26 0.14 0.00 -1.02 0.00 0.00 32.46 29.69 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 -3.64 1.07 0.25 5.56 3.01 -1.26 -4.95 119.74 119.78 1jbi s LYS 17 Ca 0.54 0.38 -0.04 0.00 -1.01 0.00 0.00 55.97 55.84 1jbi s LYS 17 Cb 0.43 -1.82 0.35 0.00 -1.01 0.00 0.00 37.83 35.78 1jbi s LYS 17 CO 0.03 -2.27 1.87 1.49 0.51 0.00 0.00 175.35 176.98 1jbi h GLU 18 N -1.55 1.06 -2.27 1.68 4.22 -1.96 -3.38 114.58 112.37 1jbi h GLU 18 Ca -0.51 -0.06 -0.06 0.00 0.08 0.00 0.00 59.36 58.80 1jbi h GLU 18 Cb 1.33 -0.24 -0.18 0.00 0.50 0.00 0.00 28.75 30.15 1jbi h GLU 18 CO 0.61 0.70 0.13 -1.59 -2.18 0.00 0.00 179.01 176.68 1jbi s LYS 19 N -6.06 1.04 -0.03 1.92 -2.85 -1.26 -0.48 119.74 112.02 1jbi s LYS 19 Ca -0.13 0.10 -0.08 0.00 -1.00 0.00 0.00 55.97 54.86 1jbi s LYS 19 Cb 0.19 0.49 0.01 0.00 -2.06 0.00 0.00 37.83 36.45 1jbi s LYS 19 CO 0.80 -0.34 0.18 0.00 0.10 0.00 0.00 175.35 176.09 1jbi s ALA 20 N -1.57 -0.43 -0.20 0.59 0.00 -0.06 -4.97 121.76 115.12 1jbi s ALA 20 Ca -0.10 0.19 -0.06 0.00 0.00 0.00 0.00 51.96 51.99 1jbi s ALA 20 Cb -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 1jbi s ALA 20 CO 0.06 -0.17 0.04 -0.51 0.00 0.00 0.00 175.76 175.18 1jbi s ASP 21 N -0.78 5.22 0.03 0.00 1.01 -1.26 -0.27 116.67 120.62 1jbi s ASP 21 Ca -0.09 -0.08 0.05 0.00 0.71 0.00 0.00 52.55 53.15 1jbi s ASP 21 Cb -0.05 -1.90 -0.02 0.00 1.01 0.00 0.00 42.92 41.96 1jbi s ASP 21 CO 0.01 0.10 -0.15 0.68 0.21 0.00 0.00 175.17 176.02 1jbi s VAL 22 N 0.80 1.23 -0.18 -1.27 -7.23 0.29 -0.46 120.40 113.58 1jbi s VAL 22 Ca 0.02 -0.93 -0.07 0.00 -1.81 0.00 0.00 61.98 59.19 1jbi s VAL 22 Cb -0.14 -1.08 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 1jbi s VAL 22 CO 0.02 0.13 0.06 -0.76 -0.31 0.00 0.00 175.10 174.25 1jbi s LEU 23 N -0.92 3.84 -0.84 1.32 2.01 -0.45 -0.67 118.68 122.96 1jbi s LEU 23 Ca 0.04 0.10 -0.05 0.00 0.01 0.00 0.00 54.13 54.23 1jbi s LEU 23 Cb -0.07 -1.97 0.21 0.00 0.01 0.00 0.00 46.19 44.37 1jbi s LEU 23 CO 0.01 0.19 0.73 0.00 1.01 0.00 0.00 176.35 178.29 1jbi s PRO 25 N -0.74 4.49 0.07 0.00 0.04 -1.26 -1.50 135.00 136.09 1jbi s PRO 25 Ca 0.23 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1jbi s PRO 25 Cb -0.12 -2.95 0.00 0.00 0.04 0.00 0.00 34.50 31.48 1jbi s PRO 25 CO -0.09 0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.48 1jbi n GLY 26 N 0.89 -2.47 0.32 0.56 0.00 -1.26 -4.22 105.19 99.00 1jbi n GLY 26 Ca 0.01 -2.02 0.09 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.03 -0.18 3.57 -0.02 0.00 -1.26 -3.57 105.19 103.69 1jbi n GLY 27 Ca 0.00 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 1jbi n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jbi n PRO 29 N -1.08 1.66 -1.45 0.00 -0.04 -1.26 -4.83 135.00 127.99 1jbi n PRO 29 Ca -0.16 0.61 -0.40 0.00 -0.04 0.00 0.00 63.50 63.51 1jbi n PRO 29 Cb 0.68 -2.54 -0.02 0.00 -0.04 0.00 0.00 33.50 31.58 1jbi n PRO 29 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1jbi n LEU 30 N -0.90 8.21 -0.08 1.53 4.77 -1.26 -4.41 117.00 124.87 1jbi n LEU 30 Ca 0.10 -4.32 -0.07 0.00 -0.03 0.00 0.00 56.01 51.70 1jbi n LEU 30 Cb 0.44 -1.58 -0.02 0.00 -2.33 0.00 0.00 43.42 39.93 1jbi n LEU 30 CO 0.54 1.80 -0.52 1.21 -1.33 0.00 0.00 177.39 179.09 1jbi n GLU 31 N 4.27 0.46 -3.53 3.23 2.13 -1.26 -4.86 120.64 121.08 1jbi n GLU 31 Ca 0.71 0.30 -0.29 0.00 0.66 0.00 0.00 57.16 58.54 1jbi n GLU 31 Cb 0.28 -1.45 -0.12 0.00 0.27 0.00 0.00 31.44 30.42 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 -2.54 0.83 -0.30 5.31 0.41 -1.26 -5.09 118.70 116.06 1jbi s GLU 32 Ca -0.22 -1.64 -0.06 0.00 -0.41 0.00 0.00 54.97 52.63 1jbi s GLU 32 Cb 0.03 -1.64 0.02 0.00 -1.78 0.00 0.00 34.13 30.76 1jbi s GLU 32 CO 0.33 -1.22 0.07 -0.06 -0.49 0.00 0.00 175.26 173.89 1jbi s PHE 33 N 0.71 3.16 -0.09 1.61 0.40 -1.26 -5.02 117.98 117.49 1jbi s PHE 33 Ca 0.20 -1.12 0.04 0.00 -0.60 0.00 0.00 56.93 55.45 1jbi s PHE 33 Cb -0.20 -2.24 0.00 0.00 0.51 0.00 0.00 43.02 41.09 1jbi s PHE 33 CO -0.02 -0.62 -0.21 0.45 0.70 0.00 0.00 175.22 175.52 1jbi s SER 34 N 1.46 2.73 0.14 1.36 0.15 -1.26 -4.67 113.70 113.61 1jbi s SER 34 Ca 0.01 -0.48 0.05 0.00 0.70 0.00 0.00 55.95 56.23 1jbi s SER 34 Cb -0.18 -1.20 -0.04 0.00 -1.71 0.00 0.00 66.02 62.90 1jbi s SER 34 CO 0.02 0.13 -0.12 -0.69 1.20 0.00 0.00 173.24 173.79 1jbi s VAL 35 N 0.37 1.26 -0.26 4.45 1.01 -1.18 -1.40 120.40 124.66 1jbi s VAL 35 Ca -0.16 -1.94 -0.04 0.00 0.00 0.00 0.00 61.98 59.84 1jbi s VAL 35 Cb -0.17 -1.73 0.10 0.00 0.00 0.00 0.00 36.38 34.57 1jbi s VAL 35 CO 0.07 -0.62 0.15 -0.31 0.00 0.00 0.00 175.10 174.39 1jbi s TYR 36 N -2.86 0.14 0.05 5.22 1.51 -1.26 -1.58 117.35 118.57 1jbi s TYR 36 Ca 0.14 -0.59 0.00 0.00 -1.01 0.00 0.00 57.07 55.61 1jbi s TYR 36 Cb -0.00 -0.76 0.00 0.00 -0.11 0.00 0.00 41.96 41.09 1jbi s TYR 36 CO 0.02 -0.76 0.00 0.41 -1.11 0.00 0.00 175.55 174.11 1jbi n GLY 37 N 5.27 -2.94 3.92 0.71 0.00 0.19 -1.03 105.19 111.32 1jbi n GLY 37 Ca -0.06 -1.24 -0.28 0.00 0.00 0.00 0.00 46.02 44.44 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 -3.07 6.40 0.00 1.61 6.03 -1.26 -4.21 114.94 120.43 1jbi s ASN 38 Ca 0.00 0.44 0.00 0.00 -1.03 0.00 0.00 52.86 52.27 1jbi s ASN 38 Cb 0.00 -2.03 0.00 0.00 -3.03 0.00 0.00 41.25 36.19 1jbi s ASN 38 CO 0.00 -0.05 0.00 -0.38 -2.03 0.00 0.00 177.10 174.64 1jbi n ILE 39 N -0.65 0.00 -2.76 0.54 2.08 -1.26 -4.56 119.36 112.75 1jbi n ILE 39 Ca -0.04 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 62.84 1jbi n ILE 39 Cb 0.54 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.40 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 4.27 -0.35 1.39 1.01 -1.26 -4.12 120.40 121.33 1jbi s VAL 40 Ca 0.00 -0.79 -0.25 0.00 0.00 0.00 0.00 61.98 60.95 1jbi s VAL 40 Cb 0.00 -4.85 0.01 0.00 0.00 0.00 0.00 36.38 31.54 1jbi s VAL 40 CO 0.00 -1.66 0.86 -0.31 0.00 0.00 0.00 175.10 173.99 1jbi s TYR 41 N 4.07 3.12 0.76 5.22 2.02 0.05 -4.19 117.35 128.40 1jbi s TYR 41 Ca 0.34 0.73 -0.13 0.00 -0.37 0.00 0.00 57.07 57.64 1jbi s TYR 41 Cb -0.07 -3.49 0.06 0.00 -0.40 0.00 0.00 41.96 38.06 1jbi s TYR 41 CO -0.02 -0.75 1.14 0.00 -1.57 0.00 0.00 175.55 174.36 1jbi s ALA 42 N 3.26 2.10 0.34 3.71 0.00 -0.20 -0.76 121.76 130.21 1jbi s ALA 42 Ca 0.35 0.58 0.08 0.00 0.00 0.00 0.00 51.96 52.98 1jbi s ALA 42 Cb -0.13 -3.38 0.79 0.00 0.00 0.00 0.00 23.12 20.41 1jbi s ALA 42 CO 0.17 -1.90 1.84 1.03 0.00 0.00 0.00 175.76 176.90 1jbi h SER 43 N -0.77 0.70 0.30 0.00 0.87 -1.24 -0.95 113.55 112.45 1jbi h SER 43 Ca -0.45 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1jbi h SER 43 Cb 1.26 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1jbi h SER 43 CO 0.49 0.32 0.00 0.55 -0.53 0.00 0.00 176.83 177.67 1jbi n VAL 44 N -4.61 1.06 -2.00 2.23 3.14 -1.26 -1.18 118.33 115.71 1jbi n VAL 44 Ca 0.19 0.49 -0.38 0.00 -2.96 0.00 0.00 64.34 61.69 1jbi n VAL 44 Cb 0.51 -1.45 0.02 0.00 -1.06 0.00 0.00 33.84 31.85 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 -3.92 5.70 0.39 6.55 0.01 -0.36 -4.68 113.70 117.38 1jbi s SER 45 Ca 0.01 2.55 -0.27 0.00 1.31 0.00 0.00 55.95 59.55 1jbi s SER 45 Cb 0.07 -2.62 -0.10 0.00 0.21 0.00 0.00 66.02 63.58 1jbi s SER 45 CO 0.25 -1.26 1.41 -0.55 0.41 0.00 0.00 173.24 173.50 1jbi s SER 46 N -1.13 6.29 0.13 2.44 0.15 -0.49 -0.75 113.70 120.33 1jbi s SER 46 Ca 0.68 2.90 -0.15 0.00 0.70 0.00 0.00 55.95 60.07 1jbi s SER 46 Cb -0.35 -2.66 -0.01 0.00 -1.71 0.00 0.00 66.02 61.30 1jbi s SER 46 CO 0.42 -0.89 1.65 0.40 1.20 0.00 0.00 173.24 176.02 1jbi h ILE 47 N 2.74 1.22 -0.19 6.45 2.04 -1.37 0.53 117.51 128.93 1jbi h ILE 47 Ca -0.50 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 64.63 1jbi h ILE 47 Cb 1.24 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1jbi h ILE 47 CO 0.63 0.26 0.12 0.00 0.00 0.00 0.00 178.15 179.16 1jbi h GLY 49 N 0.23 -0.92 0.50 0.00 0.00 -1.81 0.43 103.07 101.51 1jbi h GLY 49 Ca 0.07 0.54 0.06 0.00 0.00 0.00 0.00 47.33 47.99 1jbi h GLY 49 CO -0.01 -0.27 0.02 0.00 0.00 0.00 0.00 176.54 176.28 1jbi h ALA 50 N -0.26 0.33 0.23 3.60 0.00 -0.85 -0.19 119.26 122.12 1jbi h ALA 50 Ca 0.02 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1jbi h ALA 50 Cb 0.70 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1jbi h ALA 50 CO -0.26 -0.38 -0.11 0.00 0.00 0.00 0.00 179.25 178.50 1jbi h ALA 51 N 1.28 -0.31 -0.61 0.00 0.00 -0.61 0.32 119.26 119.34 1jbi h ALA 51 Ca 0.17 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1jbi h ALA 51 Cb 0.21 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1jbi h ALA 51 CO -0.26 -0.59 -0.00 0.28 0.00 0.00 0.00 179.25 178.68 1jbi h VAL 52 N -0.47 1.27 -0.15 0.00 2.07 -0.91 -0.11 116.25 117.93 1jbi h VAL 52 Ca -0.03 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.35 1jbi h VAL 52 Cb 0.36 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1jbi h VAL 52 CO 0.05 0.42 0.01 -0.74 0.02 0.00 0.00 177.57 177.33 1jbi h HIS 53 N 0.98 0.01 0.00 1.57 6.17 -0.92 -0.95 115.15 122.00 1jbi h HIS 53 Ca 0.17 0.01 -0.00 0.00 0.71 0.00 0.00 60.37 61.26 1jbi h HIS 53 Cb 0.57 0.02 -0.00 0.00 2.52 0.00 0.00 27.41 30.52 1jbi h HIS 53 CO 0.04 -0.01 -0.01 -0.09 0.71 0.00 0.00 177.93 178.57 1jbi h ARG 54 N 0.06 0.00 0.00 5.26 9.65 -0.83 -3.43 114.38 125.09 1jbi h ARG 54 Ca 0.07 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 1jbi h ARG 54 Cb 0.08 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.66 1jbi h ARG 54 CO -0.12 0.01 0.00 0.41 2.80 0.00 0.00 179.97 183.07 1jbi n GLY 55 N -1.17 0.73 0.12 2.80 0.00 -0.36 -4.98 105.19 102.33 1jbi n GLY 55 Ca -0.03 -0.64 -0.17 0.00 0.00 0.00 0.00 46.02 45.19 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 1.47 -3.74 1.61 2.07 -1.28 -3.48 116.25 112.91 1jbi h VAL 56 Ca 0.00 -2.02 -0.25 0.00 0.82 0.00 0.00 66.70 65.25 1jbi h VAL 56 Cb 0.18 2.65 -0.15 0.00 -1.52 0.00 0.00 31.29 32.45 1jbi h VAL 56 CO 0.00 0.58 -0.70 0.27 0.02 0.00 0.00 177.57 177.74 1jbi s ILE 57 N -3.19 0.77 0.82 4.57 -4.36 -1.25 -4.86 121.20 113.70 1jbi s ILE 57 Ca -0.14 -1.96 -0.09 0.00 -0.26 0.00 0.00 60.65 58.20 1jbi s ILE 57 Cb 0.03 -1.77 0.14 0.00 1.25 0.00 0.00 42.46 42.11 1jbi s ILE 57 CO 0.79 -0.80 1.14 -0.44 0.24 0.00 0.00 174.94 175.87 1jbi s SER 58 N -3.08 3.95 -1.40 4.36 0.01 -1.26 -4.32 113.70 111.97 1jbi s SER 58 Ca 0.14 0.10 -0.15 0.00 1.31 0.00 0.00 55.95 57.35 1jbi s SER 58 Cb 0.05 -0.41 0.04 0.00 0.21 0.00 0.00 66.02 65.92 1jbi s SER 58 CO -0.03 -2.16 2.07 -3.20 0.41 0.00 0.00 173.24 170.34 1jbi n ASN 59 N -3.25 4.16 0.00 2.44 2.85 -1.26 -3.77 115.26 116.44 1jbi n ASN 59 Ca 0.13 -2.86 0.00 0.00 -0.11 0.00 0.00 54.58 51.74 1jbi n ASN 59 Cb 0.60 -1.68 0.00 0.00 1.24 0.00 0.00 39.78 39.94 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 6.89 0.00 0.00 1.20 2.88 -1.23 -4.90 113.62 118.46 1jbi n SER 60 Ca 0.51 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 1jbi n SER 60 Cb 0.41 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1jbi n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jbi n GLY 61 N 0.00 -2.39 0.00 0.46 0.00 -1.23 -4.38 105.19 97.64 1jbi n GLY 61 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.23 0.93 3.77 -0.02 0.00 -0.56 -4.74 105.19 104.34 1jbi n GLY 62 Ca 0.00 -2.05 -0.38 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.12 4.37 0.08 1.61 0.04 -1.26 -0.98 135.00 137.73 1jbi s PRO 63 Ca 0.00 1.57 -0.05 0.00 0.04 0.00 0.00 61.00 62.55 1jbi s PRO 63 Cb 0.00 -2.78 -0.02 0.00 0.04 0.00 0.00 34.50 31.74 1jbi s PRO 63 CO 0.00 0.03 0.09 0.08 0.04 0.00 0.00 177.00 177.25 1jbi s VAL 64 N -1.50 0.17 -0.24 -0.36 1.01 0.15 -4.45 120.40 115.19 1jbi s VAL 64 Ca 0.53 -1.48 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 1jbi s VAL 64 Cb -0.24 -1.46 0.09 0.00 0.00 0.00 0.00 36.38 34.77 1jbi s VAL 64 CO 0.31 -0.78 0.15 -0.60 0.00 0.00 0.00 175.10 174.18 1jbi s ARG 65 N -3.90 0.17 0.24 2.72 3.52 -0.06 -0.55 118.95 121.10 1jbi s ARG 65 Ca 0.07 -0.23 -0.15 0.00 -0.13 0.00 0.00 55.73 55.29 1jbi s ARG 65 Cb 0.06 -1.30 -0.08 0.00 -1.56 0.00 0.00 34.95 32.08 1jbi s ARG 65 CO -0.10 -0.86 0.66 0.08 -0.81 0.00 0.00 175.30 174.27 1jbi s VAL 66 N 2.18 4.74 -0.04 7.11 1.01 0.63 -0.85 120.40 135.17 1jbi s VAL 66 Ca 0.07 0.92 0.01 0.00 0.00 0.00 0.00 61.98 62.98 1jbi s VAL 66 Cb -0.16 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.54 1jbi s VAL 66 CO -0.24 0.03 -0.04 -0.31 0.00 0.00 0.00 175.10 174.53 1jbi s TYR 67 N -1.73 0.70 1.03 5.22 2.02 -0.56 -0.88 117.35 123.16 1jbi s TYR 67 Ca 0.47 -0.18 -0.12 0.00 -0.37 0.00 0.00 57.07 56.87 1jbi s TYR 67 Cb -0.13 -0.63 0.21 0.00 -0.40 0.00 0.00 41.96 41.01 1jbi s TYR 67 CO 0.19 -0.18 1.07 -1.54 -1.57 0.00 0.00 175.55 173.53 1jbi s SER 68 N 0.89 2.10 0.03 2.29 1.04 0.37 -1.16 113.70 119.26 1jbi s SER 68 Ca -0.12 1.64 0.03 0.00 0.48 0.00 0.00 55.95 57.98 1jbi s SER 68 Cb -0.14 -2.30 -0.02 0.00 0.10 0.00 0.00 66.02 63.66 1jbi s SER 68 CO 0.00 -3.52 -0.09 -0.22 0.98 0.00 0.00 173.24 170.39 1jbi s LEU 69 N -6.80 2.18 1.38 2.42 0.20 -0.15 -4.61 118.68 113.30 1jbi s LEU 69 Ca 0.67 -0.43 -0.22 0.00 0.69 0.00 0.00 54.13 54.83 1jbi s LEU 69 Cb -0.22 -0.31 0.35 0.00 -0.43 0.00 0.00 46.19 45.58 1jbi s LEU 69 CO 0.61 -0.08 0.97 -2.16 -0.29 0.00 0.00 176.35 175.39 1jbi s PRO 70 N -1.17 -2.61 0.30 0.98 0.04 -1.26 -4.07 135.00 127.21 1jbi s PRO 70 Ca -0.04 0.10 -0.29 0.00 0.04 0.00 0.00 61.00 60.81 1jbi s PRO 70 Cb -0.08 -1.42 -0.12 0.00 0.04 0.00 0.00 34.50 32.92 1jbi s PRO 70 CO 0.01 -4.66 1.39 0.41 0.04 0.00 0.00 177.00 174.19 1jbi n GLY 71 N 0.92 0.82 3.26 0.56 0.00 -1.26 -4.55 105.19 104.94 1jbi n GLY 71 Ca 0.13 0.40 -0.10 0.00 0.00 0.00 0.00 46.02 46.45 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 -1.21 1.05 0.00 1.61 0.52 -1.26 -5.05 118.95 114.61 1jbi s ARG 72 Ca 0.61 -1.28 0.00 0.00 -0.52 0.00 0.00 55.73 54.53 1jbi s ARG 72 Cb -0.57 0.32 0.00 0.00 0.52 0.00 0.00 34.95 35.22 1jbi s ARG 72 CO 0.56 -0.35 0.00 -0.85 0.02 0.00 0.00 175.30 174.68 1jbi n GLU 73 N -0.16 0.54 -3.71 3.54 0.00 -1.26 -2.88 120.64 116.71 1jbi n GLU 73 Ca -0.07 0.00 -0.22 0.00 0.00 0.00 0.00 57.16 56.87 1jbi n GLU 73 Cb 0.63 0.00 0.03 0.00 0.00 0.00 0.00 31.44 32.11 1jbi n GLU 73 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1jbi n ASN 74 N -1.19 -1.62 -2.79 -1.84 3.02 -1.26 -4.93 115.26 104.65 1jbi n ASN 74 Ca 0.00 -0.80 -0.10 0.00 -0.03 0.00 0.00 54.58 53.64 1jbi n ASN 74 Cb 0.00 -4.09 0.08 0.00 -0.61 0.00 0.00 39.78 35.16 1jbi n ASN 74 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1jbi n TYR 75 N -4.32 -3.57 -3.94 3.10 4.02 -1.26 -5.09 117.16 106.10 1jbi n TYR 75 Ca -0.26 -0.37 -0.09 0.00 -0.01 0.00 0.00 57.90 57.17 1jbi n TYR 75 Cb 0.66 -0.38 -0.03 0.00 -0.02 0.00 0.00 39.34 39.58 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 -2.59 0.04 -0.18 7.72 0.01 -1.26 -4.88 113.70 112.56 1jbi s SER 76 Ca 0.25 -0.98 -0.02 0.00 1.31 0.00 0.00 55.95 56.51 1jbi s SER 76 Cb -0.02 0.69 -0.01 0.00 0.21 0.00 0.00 66.02 66.89 1jbi s SER 76 CO 0.19 -1.33 -0.10 -0.44 0.41 0.00 0.00 173.24 171.97 1jbi s SER 77 N -3.04 4.06 -0.02 2.44 0.01 -1.26 -2.85 113.70 113.04 1jbi s SER 77 Ca 0.19 -0.39 -0.08 0.00 1.31 0.00 0.00 55.95 56.99 1jbi s SER 77 Cb -0.03 -1.66 0.01 0.00 0.21 0.00 0.00 66.02 64.55 1jbi s SER 77 CO 0.11 0.06 0.17 -0.69 0.41 0.00 0.00 173.24 173.29 1jbi s VAL 78 N 0.99 0.06 0.04 3.43 1.01 -0.74 -4.96 120.40 120.22 1jbi s VAL 78 Ca -0.01 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1jbi s VAL 78 Cb -0.15 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 1jbi s VAL 78 CO -0.01 -0.27 -0.07 -0.62 0.00 0.00 0.00 175.10 174.14 1jbi s ASP 79 N -0.99 4.62 -0.12 3.32 -1.08 -1.26 -0.73 116.67 120.43 1jbi s ASP 79 Ca -0.11 -0.21 -0.22 0.00 -0.52 0.00 0.00 52.55 51.50 1jbi s ASP 79 Cb -0.06 -1.03 0.05 0.00 -1.46 0.00 0.00 42.92 40.42 1jbi s ASP 79 CO 0.01 0.24 0.54 0.00 0.52 0.00 0.00 175.17 176.48 1jbi s ALA 80 N -1.09 -1.36 -0.87 3.66 0.00 -0.48 -4.93 121.76 116.69 1jbi s ALA 80 Ca 0.19 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1jbi s ALA 80 Cb -0.11 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.57 1jbi s ALA 80 CO 0.11 -0.29 0.00 0.09 0.00 0.00 0.00 175.76 175.66 1jbi n ASN 81 N 1.93 -2.67 -1.90 0.00 3.02 -1.26 -1.15 115.26 113.22 1jbi n ASN 81 Ca -0.17 0.25 -0.13 0.00 -0.03 0.00 0.00 54.58 54.50 1jbi n ASN 81 Cb 0.56 -2.50 0.03 0.00 -0.61 0.00 0.00 39.78 37.26 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 -0.40 0.06 3.01 7.41 0.00 -1.26 -5.01 105.19 109.00 1jbi n GLY 82 Ca -0.10 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.98 0.98 0.03 -0.61 1.01 -0.30 -5.11 121.20 114.23 1jbi s ILE 83 Ca 0.22 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.45 1jbi s ILE 83 Cb -0.10 -0.90 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 1jbi s ILE 83 CO 0.27 0.31 0.12 -1.58 0.00 0.00 0.00 174.94 174.06 1jbi s GLN 84 N 0.53 3.13 0.06 2.79 2.00 -1.26 -1.38 119.66 125.53 1jbi s GLN 84 Ca -0.10 -0.52 0.08 0.00 -2.00 0.00 0.00 55.36 52.82 1jbi s GLN 84 Cb -0.14 -2.88 -0.03 0.00 0.80 0.00 0.00 33.01 30.76 1jbi s GLN 84 CO 0.02 0.62 -0.23 -1.54 -0.50 0.00 0.00 175.29 173.66 1jbi s SER 85 N -2.12 2.73 0.18 6.67 1.04 0.09 -3.09 113.70 119.20 1jbi s SER 85 Ca 0.28 -0.59 0.10 0.00 0.48 0.00 0.00 55.95 56.22 1jbi s SER 85 Cb -0.12 -0.22 -0.04 0.00 0.10 0.00 0.00 66.02 65.74 1jbi s SER 85 CO 0.20 0.17 -0.18 0.00 0.98 0.00 0.00 173.24 174.41 1jbi s GLN 86 N -1.40 1.77 0.97 4.02 -2.07 -0.61 -1.80 119.66 120.53 1jbi s GLN 86 Ca 0.09 -1.38 -0.12 0.00 -1.82 0.00 0.00 55.36 52.13 1jbi s GLN 86 Cb -0.09 -2.00 0.17 0.00 -1.09 0.00 0.00 33.01 30.00 1jbi s GLN 86 CO 0.03 0.42 1.09 0.00 -1.32 0.00 0.00 175.29 175.51 1jbi s MET 87 N -2.66 0.62 0.14 9.60 0.23 -1.13 -0.63 119.30 125.45 1jbi s MET 87 Ca 0.22 0.96 0.03 0.00 -1.03 0.00 0.00 55.69 55.87 1jbi s MET 87 Cb -0.09 -1.72 -0.01 0.00 -1.53 0.00 0.00 34.83 31.48 1jbi s MET 87 CO 0.12 -2.72 0.09 1.28 -2.03 0.00 0.00 175.02 171.76 1jbi n LEU 88 N -4.23 0.00 -3.82 0.18 4.32 -1.26 -4.86 117.00 107.33 1jbi n LEU 88 Ca 0.07 -1.22 -0.28 0.00 -0.02 0.00 0.00 56.01 54.56 1jbi n LEU 88 Cb 0.54 0.57 -0.12 0.00 -1.62 0.00 0.00 43.42 42.80 1jbi n LEU 88 CO 0.55 -0.20 -0.10 -0.94 -1.22 0.00 0.00 177.39 175.48 1jbi s SER 89 N -1.92 4.21 -0.94 -1.43 1.04 -1.26 -4.59 113.70 108.81 1jbi s SER 89 Ca 0.13 -3.61 -0.05 0.00 0.48 0.00 0.00 55.95 52.91 1jbi s SER 89 Cb 0.01 -1.42 -0.05 0.00 0.10 0.00 0.00 66.02 64.65 1jbi s SER 89 CO 0.09 -0.12 0.83 -1.14 0.98 0.00 0.00 173.24 173.88 1jbi n ARG 90 N 2.27 -1.96 -2.75 4.02 0.63 -1.26 -4.93 116.66 112.69 1jbi n ARG 90 Ca 0.19 0.94 -0.43 0.00 -0.92 0.00 0.00 57.85 57.63 1jbi n ARG 90 Cb 0.37 -5.58 -0.03 0.00 0.45 0.00 0.00 32.46 27.66 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 2.86 0.00 -0.14 -0.11 -1.14 -4.90 118.94 112.21 1jbi s TRP 91 Ca 0.35 0.44 0.00 0.00 1.22 0.00 0.00 56.10 58.11 1jbi s TRP 91 Cb -0.05 -4.14 0.00 0.00 -1.50 0.00 0.00 33.47 27.78 1jbi s TRP 91 CO 0.70 -1.20 1.31 0.43 -4.62 0.00 0.00 176.95 173.57 1jbi n SER 92 N 7.46 3.67 -3.24 5.86 7.64 -1.26 -4.03 113.62 129.72 1jbi n SER 92 Ca 0.07 -2.04 -0.04 0.00 1.01 0.00 0.00 58.87 57.88 1jbi n SER 92 Cb 0.49 -0.70 -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 0.10 -1.72 0.12 -0.43 0.00 -1.26 -4.86 121.76 113.71 1jbi s ALA 93 Ca 0.00 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.31 1jbi s ALA 93 Cb 0.00 -2.36 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 1jbi s ALA 93 CO 0.00 -1.92 -0.03 -1.12 0.00 0.00 0.00 175.76 172.68 1jbi s SER 94 N 2.35 1.09 0.29 0.00 0.01 -1.26 -0.71 113.70 115.47 1jbi s SER 94 Ca 0.12 -1.07 -0.16 0.00 1.31 0.00 0.00 55.95 56.15 1jbi s SER 94 Cb -0.10 0.12 0.01 0.00 0.21 0.00 0.00 66.02 66.26 1jbi s SER 94 CO -0.21 -0.52 0.62 0.72 0.41 0.00 0.00 173.24 174.26 1jbi s PHE 95 N -3.67 0.16 -0.01 2.43 -0.71 0.06 -0.98 117.98 115.26 1jbi s PHE 95 Ca 0.16 -0.60 0.00 0.00 -1.04 0.00 0.00 56.93 55.46 1jbi s PHE 95 Cb 0.06 0.46 0.01 0.00 -1.21 0.00 0.00 43.02 42.34 1jbi s PHE 95 CO -0.02 -1.18 0.01 -0.08 -1.34 0.00 0.00 175.22 172.61 1jbi s THR 96 N -3.68 0.02 0.20 -4.49 -1.32 -0.31 -0.77 115.64 105.29 1jbi s THR 96 Ca 0.18 0.07 0.06 0.00 -1.21 0.00 0.00 61.69 60.79 1jbi s THR 96 Cb -0.03 -0.08 -0.04 0.00 -1.51 0.00 0.00 72.50 70.84 1jbi s THR 96 CO 0.09 0.05 0.14 0.54 -2.21 0.00 0.00 174.62 173.23 1jbi s VAL 97 N 0.46 4.34 0.37 5.08 0.11 -1.26 -1.49 120.40 128.00 1jbi s VAL 97 Ca -0.04 -1.29 -0.08 0.00 -2.93 0.00 0.00 61.98 57.65 1jbi s VAL 97 Cb -0.06 -3.27 0.03 0.00 -1.53 0.00 0.00 36.38 31.55 1jbi s VAL 97 CO -0.01 -0.22 0.61 0.42 -3.33 0.00 0.00 175.10 172.57 1jbi s THR 98 N -1.93 0.00 0.60 5.04 -4.23 -0.03 -4.98 115.64 110.11 1jbi s THR 98 Ca 0.31 -1.34 -0.16 0.00 -1.18 0.00 0.00 61.69 59.32 1jbi s THR 98 Cb -0.09 -2.76 -0.03 0.00 1.34 0.00 0.00 72.50 70.96 1jbi s THR 98 CO 0.23 0.00 1.06 -0.76 -0.54 0.00 0.00 174.62 174.62 1jbi s LEU 99 N -3.17 3.50 0.00 4.79 1.43 -1.26 -0.88 118.68 123.09 1jbi s LEU 99 Ca 0.24 1.85 0.30 0.00 -1.03 0.00 0.00 54.13 55.49 1jbi s LEU 99 Cb -0.02 -4.54 1.54 0.00 0.03 0.00 0.00 46.19 43.20 1jbi s LEU 99 CO 0.17 -1.21 2.02 1.21 0.23 0.00 0.00 176.35 178.77