#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 0.51 1.08 1.79 0.00 -1.26 -5.15 121.76 118.74 1jbi s ALA 2 Ca 0.00 -1.05 -0.16 0.00 0.00 0.00 0.00 51.96 50.75 1jbi s ALA 2 Cb 0.00 0.20 0.23 0.00 0.00 0.00 0.00 23.12 23.55 1jbi s ALA 2 CO 0.00 -0.26 1.14 -1.25 0.00 0.00 0.00 175.76 175.39 1jbi s PRO 3 N -3.09 -0.27 -0.13 0.00 0.04 -1.26 -4.75 135.00 125.54 1jbi s PRO 3 Ca 0.01 0.05 -0.03 0.00 0.04 0.00 0.00 61.00 61.07 1jbi s PRO 3 Cb 0.01 -1.70 -0.03 0.00 0.04 0.00 0.00 34.50 32.83 1jbi s PRO 3 CO -0.06 -3.10 -0.04 0.42 0.04 0.00 0.00 177.00 174.26 1jbi s ILE 4 N -3.17 3.94 -0.49 0.56 1.09 -0.33 -4.95 121.20 117.85 1jbi s ILE 4 Ca 0.69 -0.36 -0.26 0.00 -1.10 0.00 0.00 60.65 59.62 1jbi s ILE 4 Cb -0.11 -2.69 0.03 0.00 -1.06 0.00 0.00 42.46 38.62 1jbi s ILE 4 CO 0.55 0.53 0.99 0.00 -0.10 0.00 0.00 174.94 176.92 1jbi s ALA 5 N -0.10 3.18 0.14 9.38 0.00 -1.26 -1.17 121.76 131.93 1jbi s ALA 5 Ca 0.02 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.18 1jbi s ALA 5 Cb -0.13 -3.74 -0.04 0.00 0.00 0.00 0.00 23.12 19.21 1jbi s ALA 5 CO 0.02 -2.21 0.29 0.96 0.00 0.00 0.00 175.76 174.83 1jbi s ILE 6 N 4.04 5.31 -0.38 0.00 -5.25 -0.84 -4.95 121.20 119.13 1jbi s ILE 6 Ca 0.39 -0.50 0.05 0.00 -0.99 0.00 0.00 60.65 59.59 1jbi s ILE 6 Cb -0.10 -3.71 0.43 0.00 2.95 0.00 0.00 42.46 42.04 1jbi s ILE 6 CO 0.26 -0.04 1.42 1.07 -1.79 0.00 0.00 174.94 175.86 1jbi n THR 7 N -0.32 2.04 -0.66 8.37 5.66 -1.26 -4.26 114.28 123.85 1jbi n THR 7 Ca -0.06 -1.01 -0.03 0.00 -3.05 0.00 0.00 64.05 59.90 1jbi n THR 7 Cb 0.53 -0.56 -0.01 0.00 -1.55 0.00 0.00 70.33 68.74 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 -1.05 0.00 -2.02 0.00 7.35 -1.26 -4.68 117.46 115.80 1jbi n PHE 9 Ca -0.03 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.25 1jbi n PHE 9 Cb 0.23 -0.26 -0.02 0.00 0.35 0.00 0.00 39.48 39.78 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 -2.93 2.72 0.44 -2.13 2.01 -1.26 -4.95 115.64 109.53 1jbi s THR 10 Ca -0.02 0.58 0.08 0.00 0.31 0.00 0.00 61.69 62.64 1jbi s THR 10 Cb 0.11 -3.37 -0.01 0.00 0.01 0.00 0.00 72.50 69.24 1jbi s THR 10 CO 0.67 0.08 0.41 -0.13 -0.69 0.00 0.00 174.62 174.96 1jbi s ARG 11 N -0.10 2.51 0.00 4.92 0.52 -1.26 -2.34 118.95 123.20 1jbi s ARG 11 Ca 0.61 -1.57 0.09 0.00 -0.52 0.00 0.00 55.73 54.34 1jbi s ARG 11 Cb -0.42 -2.38 0.48 0.00 0.52 0.00 0.00 34.95 33.15 1jbi s ARG 11 CO 0.41 -0.27 1.17 0.41 0.02 0.00 0.00 175.30 177.04 1jbi n GLY 12 N -1.62 -0.58 0.25 -3.53 0.00 -0.04 -1.57 105.19 98.11 1jbi n GLY 12 Ca 0.04 -0.04 -0.12 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 0.88 -0.08 0.99 3.38 -1.38 -3.36 115.31 115.74 1jbi h LEU 13 Ca 0.00 -0.44 -0.13 0.00 0.09 0.00 0.00 57.88 57.40 1jbi h LEU 13 Cb 0.08 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.59 1jbi h LEU 13 CO 0.00 1.21 -0.45 0.44 0.09 0.00 0.00 178.44 179.73 1jbi h ASP 14 N 0.64 0.53 -4.00 -0.43 3.32 -1.61 -3.40 116.42 111.47 1jbi h ASP 14 Ca 0.03 -0.66 -0.64 0.00 0.02 0.00 0.00 57.03 55.79 1jbi h ASP 14 Cb 1.05 -0.16 -0.41 0.00 0.22 0.00 0.00 39.33 40.04 1jbi h ASP 14 CO 0.10 1.10 -0.68 -0.63 -1.72 0.00 0.00 179.24 177.42 1jbi s ILE 15 N -3.62 2.28 -0.46 0.35 1.01 -1.24 -4.92 121.20 114.60 1jbi s ILE 15 Ca -0.13 -2.83 0.03 0.00 0.00 0.00 0.00 60.65 57.72 1jbi s ILE 15 Cb 0.05 -2.63 0.48 0.00 0.01 0.00 0.00 42.46 40.37 1jbi s ILE 15 CO 0.81 -0.74 1.65 0.54 0.00 0.00 0.00 174.94 177.20 1jbi n ARG 16 N 3.62 2.80 -1.48 2.79 1.74 -1.26 -4.82 116.66 120.05 1jbi n ARG 16 Ca 0.05 -3.54 -0.31 0.00 -0.77 0.00 0.00 57.85 53.28 1jbi n ARG 16 Cb 0.36 -2.19 0.06 0.00 -1.02 0.00 0.00 32.46 29.67 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 -3.61 2.72 0.25 5.56 -0.14 -1.26 -4.94 119.74 118.33 1jbi s LYS 17 Ca 0.56 1.01 -0.03 0.00 -1.36 0.00 0.00 55.97 56.15 1jbi s LYS 17 Cb 0.46 -1.96 0.39 0.00 -1.68 0.00 0.00 37.83 35.04 1jbi s LYS 17 CO 0.02 -1.27 1.85 1.49 -0.76 0.00 0.00 175.35 176.68 1jbi h GLU 18 N -0.85 0.99 -2.68 1.68 4.81 -1.95 -3.34 114.58 113.25 1jbi h GLU 18 Ca -0.44 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 58.69 1jbi h GLU 18 Cb 1.22 -0.22 -0.15 0.00 0.63 0.00 0.00 28.75 30.22 1jbi h GLU 18 CO 0.55 0.66 0.12 -1.59 -0.73 0.00 0.00 179.01 178.02 1jbi s LYS 19 N -6.04 1.12 -0.14 1.92 -2.85 -1.26 -1.21 119.74 111.28 1jbi s LYS 19 Ca -0.12 -0.21 -0.29 0.00 -1.00 0.00 0.00 55.97 54.35 1jbi s LYS 19 Cb 0.20 0.52 0.07 0.00 -2.06 0.00 0.00 37.83 36.55 1jbi s LYS 19 CO 0.80 -0.42 0.70 0.00 0.10 0.00 0.00 175.35 176.53 1jbi s ALA 20 N -2.60 -1.78 -0.04 0.59 0.00 0.16 -4.98 121.76 113.10 1jbi s ALA 20 Ca -0.04 1.60 -0.15 0.00 0.00 0.00 0.00 51.96 53.36 1jbi s ALA 20 Cb -0.01 -0.47 -0.05 0.00 0.00 0.00 0.00 23.12 22.60 1jbi s ALA 20 CO -0.03 -0.36 0.41 -0.51 0.00 0.00 0.00 175.76 175.28 1jbi s ASP 21 N -0.59 6.74 0.14 0.00 1.01 -1.26 -0.23 116.67 122.48 1jbi s ASP 21 Ca -0.07 0.88 0.02 0.00 0.71 0.00 0.00 52.55 54.10 1jbi s ASP 21 Cb -0.02 -2.25 -0.04 0.00 1.01 0.00 0.00 42.92 41.62 1jbi s ASP 21 CO 0.06 0.23 -0.05 0.68 0.21 0.00 0.00 175.17 176.30 1jbi s VAL 22 N -0.54 0.80 -0.12 -1.27 -7.23 -0.06 -1.19 120.40 110.79 1jbi s VAL 22 Ca 0.23 -1.98 0.03 0.00 -1.81 0.00 0.00 61.98 58.45 1jbi s VAL 22 Cb -0.16 -1.87 0.00 0.00 0.56 0.00 0.00 36.38 34.91 1jbi s VAL 22 CO 0.12 -0.71 -0.21 -0.76 -0.31 0.00 0.00 175.10 173.23 1jbi s LEU 23 N -3.12 2.21 -0.43 1.32 2.01 -0.32 -0.31 118.68 120.05 1jbi s LEU 23 Ca 0.17 -0.54 -0.06 0.00 0.01 0.00 0.00 54.13 53.72 1jbi s LEU 23 Cb 0.05 -1.46 0.11 0.00 0.01 0.00 0.00 46.19 44.89 1jbi s LEU 23 CO -0.01 0.13 0.26 0.00 1.01 0.00 0.00 176.35 177.74 1jbi s PRO 25 N 1.27 3.85 0.00 0.00 0.04 -1.26 -1.23 135.00 137.67 1jbi s PRO 25 Ca 0.06 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.67 1jbi s PRO 25 Cb -0.24 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1jbi s PRO 25 CO -0.02 -0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.42 1jbi n GLY 26 N -1.08 -1.44 0.16 0.56 0.00 -1.26 -4.67 105.19 97.46 1jbi n GLY 26 Ca 0.03 -1.57 0.13 0.00 0.00 0.00 0.00 46.02 44.61 1jbi n GLY 26 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jbi h GLY 27 N 0.00 0.00 -6.24 -0.02 0.00 -1.86 -2.98 103.07 91.96 1jbi h GLY 27 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.94 1jbi h GLY 27 CO 0.00 0.00 -1.04 0.00 0.00 0.00 0.00 176.54 175.50 1jbi s PRO 29 N -3.14 -1.52 -1.25 0.00 0.04 -1.26 -4.84 135.00 123.03 1jbi s PRO 29 Ca 0.21 0.32 -0.11 0.00 0.04 0.00 0.00 61.00 61.46 1jbi s PRO 29 Cb -0.02 -1.53 -0.06 0.00 0.04 0.00 0.00 34.50 32.93 1jbi s PRO 29 CO 0.78 -3.99 2.40 1.28 0.04 0.00 0.00 177.00 177.51 1jbi n LEU 30 N -5.03 6.53 -0.10 -3.56 4.77 -1.26 -4.40 117.00 113.94 1jbi n LEU 30 Ca 0.09 -3.65 -0.17 0.00 -0.03 0.00 0.00 56.01 52.25 1jbi n LEU 30 Cb 0.58 -1.37 -0.07 0.00 -2.33 0.00 0.00 43.42 40.23 1jbi n LEU 30 CO 0.50 1.08 -0.80 1.21 -1.33 0.00 0.00 177.39 178.04 1jbi n GLU 31 N 4.78 0.54 -3.43 3.23 2.13 -1.26 -4.85 120.64 121.77 1jbi n GLU 31 Ca 0.59 0.37 -0.27 0.00 0.66 0.00 0.00 57.16 58.51 1jbi n GLU 31 Cb 0.26 -1.57 -0.11 0.00 0.27 0.00 0.00 31.44 30.28 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 -2.53 0.61 -0.19 5.31 2.02 -1.26 -5.09 118.70 117.58 1jbi s GLU 32 Ca -0.29 -1.39 -0.01 0.00 0.02 0.00 0.00 54.97 53.30 1jbi s GLU 32 Cb 0.07 -1.23 0.05 0.00 0.10 0.00 0.00 34.13 33.12 1jbi s GLU 32 CO 0.44 -1.24 -0.03 -0.06 0.02 0.00 0.00 175.26 174.39 1jbi s PHE 33 N 0.96 1.65 -0.19 1.61 0.08 -1.26 -4.91 117.98 115.91 1jbi s PHE 33 Ca 0.20 -1.15 0.00 0.00 0.12 0.00 0.00 56.93 56.11 1jbi s PHE 33 Cb -0.18 -1.28 0.05 0.00 -0.57 0.00 0.00 43.02 41.04 1jbi s PHE 33 CO -0.03 -0.64 -0.07 0.45 -0.10 0.00 0.00 175.22 174.83 1jbi s SER 34 N 1.65 3.27 0.12 1.36 0.15 -1.26 -4.62 113.70 114.37 1jbi s SER 34 Ca -0.01 -0.86 0.08 0.00 0.70 0.00 0.00 55.95 55.85 1jbi s SER 34 Cb -0.16 -1.09 -0.04 0.00 -1.71 0.00 0.00 66.02 63.01 1jbi s SER 34 CO -0.07 -0.18 -0.10 -0.69 1.20 0.00 0.00 173.24 173.39 1jbi s VAL 35 N 1.49 3.30 -0.31 4.45 1.01 -1.10 -4.18 120.40 125.07 1jbi s VAL 35 Ca -0.01 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 60.59 1jbi s VAL 35 Cb -0.16 -2.56 0.10 0.00 0.00 0.00 0.00 36.38 33.75 1jbi s VAL 35 CO -0.08 0.05 0.08 -0.31 0.00 0.00 0.00 175.10 174.85 1jbi s TYR 36 N -1.33 2.15 0.00 5.22 1.51 -1.26 -0.97 117.35 122.67 1jbi s TYR 36 Ca 0.22 -1.98 0.00 0.00 -1.01 0.00 0.00 57.07 54.30 1jbi s TYR 36 Cb -0.10 -1.95 0.00 0.00 -0.11 0.00 0.00 41.96 39.80 1jbi s TYR 36 CO 0.14 -0.88 0.00 0.41 -1.11 0.00 0.00 175.55 174.11 1jbi n GLY 37 N 4.72 -0.65 3.88 0.71 0.00 0.55 -0.56 105.19 113.83 1jbi n GLY 37 Ca -0.01 -1.48 -0.35 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.67 6.55 0.00 1.61 4.22 -1.26 -4.34 114.94 120.05 1jbi s ASN 38 Ca 0.00 0.65 0.00 0.00 -2.14 0.00 0.00 52.86 51.37 1jbi s ASN 38 Cb 0.00 -2.12 0.00 0.00 1.28 0.00 0.00 41.25 40.41 1jbi s ASN 38 CO 0.00 0.25 0.00 -0.38 -2.04 0.00 0.00 177.10 174.93 1jbi n ILE 39 N 1.18 0.00 -2.76 0.54 2.08 -1.26 -4.61 119.36 114.53 1jbi n ILE 39 Ca -0.11 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 62.77 1jbi n ILE 39 Cb 0.53 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.39 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 -0.36 1.39 1.01 -1.26 -4.16 120.40 121.28 1jbi s VAL 40 Ca 0.00 -0.77 -0.26 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 31.55 1jbi s VAL 40 CO 0.00 -1.66 0.94 -0.31 0.00 0.00 0.00 175.10 174.07 1jbi s TYR 41 N 4.07 3.08 0.79 5.22 2.02 0.53 -4.13 117.35 128.94 1jbi s TYR 41 Ca 0.34 0.80 -0.12 0.00 -0.37 0.00 0.00 57.07 57.72 1jbi s TYR 41 Cb -0.07 -3.65 0.07 0.00 -0.40 0.00 0.00 41.96 37.91 1jbi s TYR 41 CO -0.01 -0.82 1.15 0.00 -1.57 0.00 0.00 175.55 174.30 1jbi s ALA 42 N 3.49 1.97 0.38 3.71 0.00 0.27 -0.18 121.76 131.40 1jbi s ALA 42 Ca 0.39 0.61 0.19 0.00 0.00 0.00 0.00 51.96 53.14 1jbi s ALA 42 Cb -0.12 -3.40 1.13 0.00 0.00 0.00 0.00 23.12 20.73 1jbi s ALA 42 CO 0.18 -2.09 1.71 1.03 0.00 0.00 0.00 175.76 176.60 1jbi h SER 43 N -0.98 0.46 0.37 0.00 0.87 -1.49 -0.20 113.55 112.59 1jbi h SER 43 Ca -0.45 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1jbi h SER 43 Cb 1.27 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 1jbi h SER 43 CO 0.48 -0.01 0.00 1.62 -0.53 0.00 0.00 176.83 178.39 1jbi h VAL 44 N 0.35 0.00 -3.99 2.23 3.04 -1.87 -0.51 116.25 115.50 1jbi h VAL 44 Ca 0.68 -0.17 -0.52 0.00 -1.01 0.00 0.00 66.70 65.67 1jbi h VAL 44 Cb 1.71 1.05 0.09 0.00 -2.01 0.00 0.00 31.29 32.13 1jbi h VAL 44 CO -0.41 0.00 0.57 -0.44 -1.01 0.00 0.00 177.57 176.28 1jbi s SER 45 N -5.01 6.03 0.54 3.17 0.01 -0.09 -4.69 113.70 113.67 1jbi s SER 45 Ca -0.02 2.56 -0.21 0.00 1.31 0.00 0.00 55.95 59.59 1jbi s SER 45 Cb 0.10 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.66 1jbi s SER 45 CO 0.41 -1.03 1.29 -0.55 0.41 0.00 0.00 173.24 173.76 1jbi s SER 46 N -1.00 5.39 0.12 2.44 0.15 -1.26 -0.86 113.70 118.68 1jbi s SER 46 Ca 0.62 2.59 -0.13 0.00 0.70 0.00 0.00 55.95 59.74 1jbi s SER 46 Cb -0.35 -2.62 -0.09 0.00 -1.71 0.00 0.00 66.02 61.24 1jbi s SER 46 CO 0.44 -1.47 1.40 0.40 1.20 0.00 0.00 173.24 175.21 1jbi h ILE 47 N 1.37 1.28 0.67 6.45 2.04 -1.77 0.16 117.51 127.71 1jbi h ILE 47 Ca -0.50 -1.68 -0.03 0.00 1.00 0.00 0.00 64.86 63.64 1jbi h ILE 47 Cb 1.29 1.64 0.01 0.00 -0.74 0.00 0.00 36.82 39.02 1jbi h ILE 47 CO 0.57 0.55 -0.32 0.00 0.00 0.00 0.00 178.15 178.95 1jbi h GLY 49 N -0.97 0.87 0.92 0.00 0.00 -1.90 0.41 103.07 102.40 1jbi h GLY 49 Ca -0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 1jbi h GLY 49 CO 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 176.54 176.65 1jbi h ALA 50 N 1.43 -0.03 -0.49 3.60 0.00 -1.00 0.74 119.26 123.52 1jbi h ALA 50 Ca 0.32 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 1jbi h ALA 50 Cb 0.40 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1jbi h ALA 50 CO -0.32 -0.48 -0.06 0.00 0.00 0.00 0.00 179.25 178.39 1jbi h ALA 51 N 0.87 0.66 -0.10 0.00 0.00 -0.81 0.79 119.26 120.67 1jbi h ALA 51 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1jbi h ALA 51 Cb 0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1jbi h ALA 51 CO 0.01 0.53 0.00 0.28 0.00 0.00 0.00 179.25 180.06 1jbi h VAL 52 N 0.76 1.25 -0.69 0.00 2.07 -0.99 -2.78 116.25 115.87 1jbi h VAL 52 Ca 0.13 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 1jbi h VAL 52 Cb 0.60 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 1jbi h VAL 52 CO 0.04 0.23 0.41 -0.74 0.02 0.00 0.00 177.57 177.53 1jbi h HIS 53 N -0.10 0.89 0.00 1.57 6.17 -0.68 0.54 115.15 123.54 1jbi h HIS 53 Ca 0.03 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.10 1jbi h HIS 53 Cb 0.35 -0.30 -0.00 0.00 2.52 0.00 0.00 27.41 29.98 1jbi h HIS 53 CO 0.03 0.60 -0.06 -0.09 0.71 0.00 0.00 177.93 179.12 1jbi h ARG 54 N 0.94 0.00 -1.27 5.26 9.65 -0.81 -3.42 114.38 124.73 1jbi h ARG 54 Ca 0.25 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.13 1jbi h ARG 54 Cb -0.04 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.54 1jbi h ARG 54 CO -0.05 0.06 0.00 0.41 2.80 0.00 0.00 179.97 183.20 1jbi n GLY 55 N -1.11 0.73 0.00 2.80 0.00 0.18 -5.01 105.19 102.78 1jbi n GLY 55 Ca -0.03 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.58 0.00 -3.99 1.61 0.31 -1.16 -5.07 118.33 108.45 1jbi n VAL 56 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 1jbi n VAL 56 Cb 0.44 -0.57 -0.05 0.00 -0.91 0.00 0.00 33.84 32.74 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 -1.69 4.99 0.66 2.52 -4.36 -1.25 -5.09 121.20 116.98 1jbi s ILE 57 Ca 0.00 -0.51 -0.13 0.00 -0.26 0.00 0.00 60.65 59.75 1jbi s ILE 57 Cb 0.00 -3.39 -0.00 0.00 1.25 0.00 0.00 42.46 40.31 1jbi s ILE 57 CO 0.00 0.18 1.06 -0.44 0.24 0.00 0.00 174.94 175.98 1jbi s SER 58 N -2.31 5.44 -1.37 4.36 0.01 -1.26 -4.78 113.70 113.79 1jbi s SER 58 Ca 0.31 1.73 -0.14 0.00 1.31 0.00 0.00 55.95 59.15 1jbi s SER 58 Cb -0.13 -2.51 0.09 0.00 0.21 0.00 0.00 66.02 63.68 1jbi s SER 58 CO 0.23 -1.40 1.98 -3.20 0.41 0.00 0.00 173.24 171.26 1jbi n ASN 59 N -2.72 4.48 0.00 2.44 4.05 -1.26 -3.01 115.26 119.24 1jbi n ASN 59 Ca 0.08 -2.93 0.00 0.00 0.45 0.00 0.00 54.58 52.18 1jbi n ASN 59 Cb 0.53 -1.63 0.00 0.00 1.23 0.00 0.00 39.78 39.91 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 6.00 0.00 0.00 1.20 2.88 -1.25 -4.77 113.62 117.68 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 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 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 -0.36 0.00 0.46 0.00 -1.13 -3.77 105.19 100.39 1jbi n GLY 61 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.39 -2.60 3.83 -0.02 0.00 -0.36 -4.70 105.19 100.95 1jbi n GLY 62 Ca 0.00 -1.27 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.00 3.69 0.20 1.61 0.04 -1.26 -1.33 135.00 135.95 1jbi s PRO 63 Ca 0.00 1.06 -0.17 0.00 0.04 0.00 0.00 61.00 61.93 1jbi s PRO 63 Cb 0.00 -2.09 0.02 0.00 0.04 0.00 0.00 34.50 32.47 1jbi s PRO 63 CO 0.00 -0.49 0.51 0.08 0.04 0.00 0.00 177.00 177.14 1jbi s VAL 64 N -2.56 0.03 -0.18 -0.36 1.01 0.57 -4.93 120.40 113.98 1jbi s VAL 64 Ca 0.61 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 1jbi s VAL 64 Cb -0.12 -1.67 0.05 0.00 0.00 0.00 0.00 36.38 34.64 1jbi s VAL 64 CO 0.34 -0.12 0.01 -0.60 0.00 0.00 0.00 175.10 174.73 1jbi s ARG 65 N -3.89 0.86 0.19 2.72 3.52 0.19 -0.88 118.95 121.65 1jbi s ARG 65 Ca 0.11 -0.43 -0.24 0.00 -0.13 0.00 0.00 55.73 55.04 1jbi s ARG 65 Cb -0.01 -2.01 -0.08 0.00 -1.56 0.00 0.00 34.95 31.29 1jbi s ARG 65 CO -0.01 -0.57 0.77 0.08 -0.81 0.00 0.00 175.30 174.76 1jbi s VAL 66 N 1.79 4.41 -0.17 7.11 1.01 0.68 -0.63 120.40 134.60 1jbi s VAL 66 Ca -0.01 1.61 0.00 0.00 0.00 0.00 0.00 61.98 63.59 1jbi s VAL 66 Cb -0.16 -4.07 0.04 0.00 0.00 0.00 0.00 36.38 32.19 1jbi s VAL 66 CO -0.07 0.44 -0.08 -0.31 0.00 0.00 0.00 175.10 175.07 1jbi s TYR 67 N -1.25 1.99 0.66 5.22 2.02 -0.06 -0.67 117.35 125.26 1jbi s TYR 67 Ca 0.38 -1.25 -0.17 0.00 -0.37 0.00 0.00 57.07 55.67 1jbi s TYR 67 Cb -0.21 -1.46 0.00 0.00 -0.40 0.00 0.00 41.96 39.89 1jbi s TYR 67 CO 0.25 -0.66 1.21 -1.54 -1.57 0.00 0.00 175.55 173.24 1jbi s SER 68 N 1.54 4.71 0.00 2.29 1.04 -0.35 -0.56 113.70 122.36 1jbi s SER 68 Ca 0.01 2.37 0.02 0.00 0.48 0.00 0.00 55.95 58.83 1jbi s SER 68 Cb -0.15 -2.59 -0.01 0.00 0.10 0.00 0.00 66.02 63.37 1jbi s SER 68 CO -0.08 -1.92 -0.06 -0.22 0.98 0.00 0.00 173.24 171.94 1jbi s LEU 69 N -4.62 2.04 1.29 2.42 0.20 0.11 -4.76 118.68 115.36 1jbi s LEU 69 Ca 0.76 -0.15 -0.18 0.00 0.69 0.00 0.00 54.13 55.25 1jbi s LEU 69 Cb -0.30 -0.28 0.31 0.00 -0.43 0.00 0.00 46.19 45.48 1jbi s LEU 69 CO 0.40 0.04 0.80 -0.81 -0.29 0.00 0.00 176.35 176.49 1jbi n PRO 70 N 2.78 -3.39 -1.68 0.98 -0.04 -1.26 -1.69 135.00 130.70 1jbi n PRO 70 Ca -0.14 -0.99 -0.48 0.00 -0.04 0.00 0.00 63.50 61.85 1jbi n PRO 70 Cb 0.58 -1.97 -0.05 0.00 -0.04 0.00 0.00 33.50 32.02 1jbi n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jbi n GLY 71 N 1.59 1.35 3.41 0.55 0.00 -1.26 -3.89 105.19 106.94 1jbi n GLY 71 Ca 0.06 0.81 -0.20 0.00 0.00 0.00 0.00 46.02 46.69 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 3.20 1.53 0.35 1.61 1.81 -0.85 -4.93 118.95 121.66 1jbi s ARG 72 Ca 0.89 -1.80 0.03 0.00 -1.72 0.00 0.00 55.73 53.14 1jbi s ARG 72 Cb -0.70 -0.95 -0.01 0.00 -0.45 0.00 0.00 34.95 32.84 1jbi s ARG 72 CO 0.48 -0.06 0.39 -1.83 -0.68 0.00 0.00 175.30 173.60 1jbi s GLU 73 N -3.81 1.89 -1.47 3.54 1.03 -1.26 -1.88 118.70 116.74 1jbi s GLU 73 Ca 0.31 -1.94 -0.07 0.00 0.03 0.00 0.00 54.97 53.30 1jbi s GLU 73 Cb 0.06 0.39 0.05 0.00 -0.80 0.00 0.00 34.13 33.82 1jbi s GLU 73 CO 0.12 -0.75 0.68 0.09 -1.33 0.00 0.00 175.26 174.08 1jbi n ASN 74 N -1.62 -2.11 -4.32 0.83 4.13 -1.26 -4.96 115.26 105.94 1jbi n ASN 74 Ca 0.05 -0.91 -0.29 0.00 1.68 0.00 0.00 54.58 55.10 1jbi n ASN 74 Cb 0.62 -3.43 0.19 0.00 -1.54 0.00 0.00 39.78 35.61 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 -3.62 1.61 0.28 3.10 1.51 -1.26 -5.07 117.35 113.89 1jbi s TYR 75 Ca 0.29 0.65 0.02 0.00 -1.01 0.00 0.00 57.07 57.02 1jbi s TYR 75 Cb -0.15 -3.53 -0.05 0.00 -0.11 0.00 0.00 41.96 38.11 1jbi s TYR 75 CO 0.86 -3.01 0.09 -1.12 -1.11 0.00 0.00 175.55 171.27 1jbi s SER 76 N -4.07 1.45 -0.18 2.29 0.01 -1.26 -4.74 113.70 107.20 1jbi s SER 76 Ca 0.68 -1.40 -0.02 0.00 1.31 0.00 0.00 55.95 56.53 1jbi s SER 76 Cb -0.12 0.13 -0.01 0.00 0.21 0.00 0.00 66.02 66.24 1jbi s SER 76 CO 0.55 -0.72 -0.10 -0.44 0.41 0.00 0.00 173.24 172.94 1jbi s SER 77 N -3.35 4.03 -0.06 2.44 0.01 -1.26 -2.23 113.70 113.27 1jbi s SER 77 Ca 0.37 -0.40 -0.04 0.00 1.31 0.00 0.00 55.95 57.18 1jbi s SER 77 Cb 0.08 -1.66 0.03 0.00 0.21 0.00 0.00 66.02 64.68 1jbi s SER 77 CO 0.14 0.05 0.16 -0.69 0.41 0.00 0.00 173.24 173.31 1jbi s VAL 78 N 1.03 -0.02 -0.15 3.43 1.01 -0.73 -4.96 120.40 120.01 1jbi s VAL 78 Ca -0.00 0.07 -0.06 0.00 0.00 0.00 0.00 61.98 61.99 1jbi s VAL 78 Cb -0.15 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 1jbi s VAL 78 CO -0.01 0.03 0.06 -0.62 0.00 0.00 0.00 175.10 174.56 1jbi s ASP 79 N 0.55 5.67 -0.07 3.32 -1.08 -1.26 -0.51 116.67 123.30 1jbi s ASP 79 Ca -0.04 0.15 -0.18 0.00 -0.52 0.00 0.00 52.55 51.97 1jbi s ASP 79 Cb -0.05 -1.89 0.04 0.00 -1.46 0.00 0.00 42.92 39.55 1jbi s ASP 79 CO -0.03 0.25 0.41 0.00 0.52 0.00 0.00 175.17 176.33 1jbi s ALA 80 N -0.08 -1.05 -1.53 3.66 0.00 -0.31 -4.91 121.76 117.55 1jbi s ALA 80 Ca 0.07 0.77 -0.15 0.00 0.00 0.00 0.00 51.96 52.65 1jbi s ALA 80 Cb -0.12 -0.17 0.12 0.00 0.00 0.00 0.00 23.12 22.94 1jbi s ALA 80 CO 0.01 -0.26 0.74 0.09 0.00 0.00 0.00 175.76 176.34 1jbi n ASN 81 N 1.68 -3.79 0.00 0.00 5.03 -1.26 -1.62 115.26 115.30 1jbi n ASN 81 Ca -0.19 -0.76 0.00 0.00 0.87 0.00 0.00 54.58 54.51 1jbi n ASN 81 Cb 0.56 -3.09 0.00 0.00 -1.02 0.00 0.00 39.78 36.24 1jbi n ASN 81 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jbi n GLY 82 N -1.38 0.53 3.55 7.41 0.00 -1.26 -4.84 105.19 109.21 1jbi n GLY 82 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.44 3.52 -0.19 -0.61 1.01 -0.64 -5.11 121.20 116.74 1jbi s ILE 83 Ca 0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 60.65 60.01 1jbi s ILE 83 Cb 0.00 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 1jbi s ILE 83 CO 0.00 0.59 0.07 -1.58 0.00 0.00 0.00 174.94 174.01 1jbi s GLN 84 N -0.82 3.97 0.01 2.79 2.00 -1.26 -1.16 119.66 125.19 1jbi s GLN 84 Ca 0.12 -0.34 -0.00 0.00 -2.00 0.00 0.00 55.36 53.14 1jbi s GLN 84 Cb -0.11 -3.24 -0.04 0.00 0.80 0.00 0.00 33.01 30.42 1jbi s GLN 84 CO 0.01 0.24 0.09 -1.54 -0.50 0.00 0.00 175.29 173.59 1jbi s SER 85 N 0.48 5.74 0.07 6.67 1.04 0.33 -2.69 113.70 125.34 1jbi s SER 85 Ca 0.03 0.14 0.08 0.00 0.48 0.00 0.00 55.95 56.69 1jbi s SER 85 Cb -0.13 -1.65 -0.03 0.00 0.10 0.00 0.00 66.02 64.31 1jbi s SER 85 CO 0.01 0.25 -0.22 0.00 0.98 0.00 0.00 173.24 174.26 1jbi s GLN 86 N -1.88 1.34 1.11 4.02 -2.07 -0.14 -1.78 119.66 120.26 1jbi s GLN 86 Ca 0.25 -1.07 -0.12 0.00 -1.82 0.00 0.00 55.36 52.60 1jbi s GLN 86 Cb -0.12 -1.55 0.25 0.00 -1.09 0.00 0.00 33.01 30.51 1jbi s GLN 86 CO 0.16 0.38 1.05 0.00 -1.32 0.00 0.00 175.29 175.56 1jbi s MET 87 N -1.51 -0.50 0.19 9.60 0.23 -0.95 -0.33 119.30 126.03 1jbi s MET 87 Ca 0.08 0.92 0.00 0.00 -1.03 0.00 0.00 55.69 55.66 1jbi s MET 87 Cb -0.09 -1.60 -0.04 0.00 -1.53 0.00 0.00 34.83 31.57 1jbi s MET 87 CO 0.03 -3.47 0.08 -0.51 -2.03 0.00 0.00 175.02 169.12 1jbi s LEU 88 N -7.05 1.63 -0.99 0.18 1.02 -1.26 -4.79 118.68 107.41 1jbi s LEU 88 Ca 0.68 -1.30 -0.12 0.00 0.02 0.00 0.00 54.13 53.41 1jbi s LEU 88 Cb -0.24 0.19 0.24 0.00 0.02 0.00 0.00 46.19 46.40 1jbi s LEU 88 CO 0.63 -0.73 0.99 -0.94 0.02 0.00 0.00 176.35 176.32 1jbi s SER 89 N -3.17 7.05 -1.03 2.29 1.04 -1.26 -4.40 113.70 114.23 1jbi s SER 89 Ca 0.32 -3.13 -0.11 0.00 0.48 0.00 0.00 55.95 53.50 1jbi s SER 89 Cb 0.07 -2.23 -0.03 0.00 0.10 0.00 0.00 66.02 63.93 1jbi s SER 89 CO 0.08 -0.46 0.82 -1.14 0.98 0.00 0.00 173.24 173.52 1jbi n ARG 90 N 3.53 -1.64 -2.82 4.02 0.63 -1.26 -4.92 116.66 114.21 1jbi n ARG 90 Ca 0.20 0.77 -0.42 0.00 -0.92 0.00 0.00 57.85 57.49 1jbi n ARG 90 Cb 0.43 -4.91 -0.03 0.00 0.45 0.00 0.00 32.46 28.40 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 -3.35 3.38 -0.04 -0.14 -0.11 -0.79 -4.83 118.94 113.07 1jbi s TRP 91 Ca 0.38 1.31 0.00 0.00 1.22 0.00 0.00 56.10 59.01 1jbi s TRP 91 Cb -0.10 -3.10 0.05 0.00 -1.50 0.00 0.00 33.47 28.82 1jbi s TRP 91 CO 0.80 -0.34 1.39 0.43 -4.62 0.00 0.00 176.95 174.62 1jbi n SER 92 N 5.67 3.92 -3.15 5.86 7.64 -1.26 -2.01 113.62 130.28 1jbi n SER 92 Ca 0.07 -2.26 0.05 0.00 1.01 0.00 0.00 58.87 57.73 1jbi n SER 92 Cb 0.48 -0.73 -0.00 0.00 -1.01 0.00 0.00 64.21 62.94 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 -0.28 -3.00 0.45 -0.43 0.00 -1.26 -4.37 121.76 112.87 1jbi s ALA 93 Ca 0.05 1.24 0.03 0.00 0.00 0.00 0.00 51.96 53.27 1jbi s ALA 93 Cb 0.04 -2.61 -0.03 0.00 0.00 0.00 0.00 23.12 20.52 1jbi s ALA 93 CO 0.01 -1.86 0.05 -1.12 0.00 0.00 0.00 175.76 172.84 1jbi s SER 94 N 2.88 3.47 0.28 0.00 0.01 -0.68 -1.29 113.70 118.37 1jbi s SER 94 Ca 0.16 -1.62 -0.18 0.00 1.31 0.00 0.00 55.95 55.62 1jbi s SER 94 Cb -0.08 0.39 0.02 0.00 0.21 0.00 0.00 66.02 66.56 1jbi s SER 94 CO -0.24 -0.83 0.67 0.72 0.41 0.00 0.00 173.24 173.97 1jbi s PHE 95 N -3.02 -0.02 -0.07 2.43 -0.71 0.75 -0.72 117.98 116.63 1jbi s PHE 95 Ca 0.18 -0.43 -0.06 0.00 -1.04 0.00 0.00 56.93 55.58 1jbi s PHE 95 Cb 0.03 0.59 0.02 0.00 -1.21 0.00 0.00 43.02 42.45 1jbi s PHE 95 CO 0.10 -1.21 0.17 -0.08 -1.34 0.00 0.00 175.22 172.86 1jbi s THR 96 N -3.81 -0.01 -0.02 -4.49 -1.32 0.28 -0.35 115.64 105.92 1jbi s THR 96 Ca 0.14 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.65 1jbi s THR 96 Cb -0.05 -0.25 -0.04 0.00 -1.51 0.00 0.00 72.50 70.66 1jbi s THR 96 CO 0.08 0.01 0.02 0.54 -2.21 0.00 0.00 174.62 173.06 1jbi s VAL 97 N 0.24 4.33 0.30 5.08 0.11 -1.26 -0.88 120.40 128.31 1jbi s VAL 97 Ca -0.01 -0.48 0.05 0.00 -2.93 0.00 0.00 61.98 58.61 1jbi s VAL 97 Cb -0.02 -2.92 -0.03 0.00 -1.53 0.00 0.00 36.38 31.87 1jbi s VAL 97 CO -0.01 0.42 0.23 0.42 -3.33 0.00 0.00 175.10 172.83 1jbi s THR 98 N -1.07 0.02 -0.10 5.04 -4.23 0.20 -4.98 115.64 110.53 1jbi s THR 98 Ca 0.19 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.72 1jbi s THR 98 Cb -0.12 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.24 1jbi s THR 98 CO 0.09 0.00 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.27 1jbi s LEU 99 N -3.32 1.69 0.00 4.79 1.43 -1.26 -0.64 118.68 121.37 1jbi s LEU 99 Ca 0.40 -0.40 0.26 0.00 -1.03 0.00 0.00 54.13 53.36 1jbi s LEU 99 Cb 0.04 -1.03 0.54 0.00 0.03 0.00 0.00 46.19 45.77 1jbi s LEU 99 CO 0.23 0.02 1.46 1.21 0.23 0.00 0.00 176.35 179.50