#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 -1.91 1.79 0.00 -1.26 -5.19 120.51 113.94 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 0.11 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.65 1.68 -0.19 0.00 0.04 -1.26 -4.63 135.00 129.99 1jbi s PRO 3 Ca 0.00 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 60.99 1jbi s PRO 3 Cb 0.00 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.63 1jbi s PRO 3 CO 0.00 -1.75 -0.07 0.42 0.04 0.00 0.00 177.00 175.64 1jbi s ILE 4 N -3.61 1.38 -0.24 0.56 1.09 0.32 -4.98 121.20 115.72 1jbi s ILE 4 Ca 0.65 -0.86 -0.26 0.00 -1.10 0.00 0.00 60.65 59.07 1jbi s ILE 4 Cb -0.09 -1.53 0.00 0.00 -1.06 0.00 0.00 42.46 39.78 1jbi s ILE 4 CO 0.49 0.11 0.90 0.00 -0.10 0.00 0.00 174.94 176.35 1jbi s ALA 5 N 1.51 3.65 0.51 9.38 0.00 -1.26 -1.87 121.76 133.67 1jbi s ALA 5 Ca -0.01 -0.05 0.07 0.00 0.00 0.00 0.00 51.96 51.98 1jbi s ALA 5 Cb -0.16 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.61 1jbi s ALA 5 CO -0.08 -1.00 0.51 0.96 0.00 0.00 0.00 175.76 176.15 1jbi s ILE 6 N 2.99 2.14 -1.76 0.00 -5.25 -0.57 -4.92 121.20 113.83 1jbi s ILE 6 Ca 0.38 -1.30 0.19 0.00 -0.99 0.00 0.00 60.65 58.93 1jbi s ILE 6 Cb -0.15 -2.44 0.60 0.00 2.95 0.00 0.00 42.46 43.42 1jbi s ILE 6 CO 0.07 0.00 1.50 1.07 -1.79 0.00 0.00 174.94 175.79 1jbi n THR 7 N -1.83 1.09 -1.31 8.37 5.66 -1.26 -4.35 114.28 120.66 1jbi n THR 7 Ca 0.05 -0.92 -0.12 0.00 -3.05 0.00 0.00 64.05 60.01 1jbi n THR 7 Cb 0.63 0.33 -0.05 0.00 -1.55 0.00 0.00 70.33 69.68 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 -2.09 0.00 -1.71 0.00 7.35 -1.26 -4.74 117.46 115.01 1jbi n PHE 9 Ca -0.12 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.18 1jbi n PHE 9 Cb 0.56 0.00 0.03 0.00 0.35 0.00 0.00 39.48 40.42 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 -0.66 3.19 -3.51 -2.13 -1.04 -1.26 -4.83 114.28 104.04 1jbi n THR 10 Ca 0.00 -0.50 -0.20 0.00 -2.04 0.00 0.00 64.05 61.31 1jbi n THR 10 Cb 0.00 -1.59 -0.03 0.00 -1.82 0.00 0.00 70.33 66.90 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 -2.55 2.56 0.35 -2.82 0.52 -1.26 -1.08 118.95 114.67 1jbi s ARG 11 Ca 0.67 -1.51 0.25 0.00 -0.52 0.00 0.00 55.73 54.62 1jbi s ARG 11 Cb -0.46 -2.41 1.24 0.00 0.52 0.00 0.00 34.95 33.84 1jbi s ARG 11 CO 0.53 -0.20 1.77 0.78 0.02 0.00 0.00 175.30 178.20 1jbi h GLY 12 N 0.99 0.00 2.00 -3.53 0.00 0.06 -2.24 103.07 100.35 1jbi h GLY 12 Ca -0.41 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 1jbi h GLY 12 CO 0.56 0.00 -0.17 1.41 0.00 0.00 0.00 176.54 178.35 1jbi h LEU 13 N 0.00 0.00 0.00 3.11 3.38 -1.41 -2.78 115.31 117.61 1jbi h LEU 13 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1jbi h LEU 13 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1jbi h LEU 13 CO 0.00 0.17 -0.10 0.44 0.09 0.00 0.00 178.44 179.04 1jbi h ASP 14 N 0.00 0.09 -3.83 -0.43 5.19 -1.72 -3.45 116.42 112.27 1jbi h ASP 14 Ca -0.00 -0.80 -0.67 0.00 -0.62 0.00 0.00 57.03 54.94 1jbi h ASP 14 Cb 0.54 -0.03 -0.37 0.00 0.18 0.00 0.00 39.33 39.65 1jbi h ASP 14 CO 0.02 0.87 -0.79 -0.63 -3.12 0.00 0.00 179.24 175.59 1jbi s ILE 15 N -3.03 2.23 -0.06 0.35 1.01 -1.05 -4.96 121.20 115.69 1jbi s ILE 15 Ca -0.17 -1.59 0.12 0.00 0.00 0.00 0.00 60.65 59.01 1jbi s ILE 15 Cb -0.00 -2.30 0.23 0.00 0.01 0.00 0.00 42.46 40.40 1jbi s ILE 15 CO 0.71 -0.01 1.11 0.54 0.00 0.00 0.00 174.94 177.28 1jbi n ARG 16 N 4.45 0.51 -1.52 2.79 1.74 -1.26 -4.72 116.66 118.65 1jbi n ARG 16 Ca -0.14 -1.92 -0.30 0.00 -0.77 0.00 0.00 57.85 54.71 1jbi n ARG 16 Cb 0.42 -0.76 0.08 0.00 -1.02 0.00 0.00 32.46 31.19 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 -1.10 2.37 0.17 5.56 3.01 -1.26 -4.71 119.74 123.79 1jbi s LYS 17 Ca 0.21 0.80 -0.26 0.00 -1.01 0.00 0.00 55.97 55.70 1jbi s LYS 17 Cb 0.21 -1.94 0.01 0.00 -1.01 0.00 0.00 37.83 35.10 1jbi s LYS 17 CO -0.05 -1.46 1.48 -1.91 0.51 0.00 0.00 175.35 173.93 1jbi n GLU 18 N -3.35 -0.37 -3.75 1.68 2.13 -1.26 -2.66 120.64 113.05 1jbi n GLU 18 Ca 0.07 1.46 -0.13 0.00 0.66 0.00 0.00 57.16 59.22 1jbi n GLU 18 Cb 0.55 -2.15 -0.13 0.00 0.27 0.00 0.00 31.44 29.98 1jbi n GLU 18 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1jbi s LYS 19 N -5.59 0.18 -0.11 5.31 -2.85 -1.26 -1.58 119.74 113.84 1jbi s LYS 19 Ca -0.12 0.42 -0.02 0.00 -1.00 0.00 0.00 55.97 55.25 1jbi s LYS 19 Cb 0.13 -0.07 0.04 0.00 -2.06 0.00 0.00 37.83 35.87 1jbi s LYS 19 CO 0.62 -0.12 -0.00 0.00 0.10 0.00 0.00 175.35 175.94 1jbi s ALA 20 N 0.91 0.90 -0.30 0.59 0.00 0.53 -4.73 121.76 119.66 1jbi s ALA 20 Ca -0.07 -0.37 -0.17 0.00 0.00 0.00 0.00 51.96 51.36 1jbi s ALA 20 Cb -0.08 -0.90 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 1jbi s ALA 20 CO -0.05 -0.65 0.48 -0.51 0.00 0.00 0.00 175.76 175.03 1jbi s ASP 21 N 1.89 6.34 0.25 0.00 1.11 -1.26 -0.45 116.67 124.55 1jbi s ASP 21 Ca 0.03 0.22 0.12 0.00 0.18 0.00 0.00 52.55 53.10 1jbi s ASP 21 Cb -0.14 -2.26 -0.05 0.00 1.07 0.00 0.00 42.92 41.55 1jbi s ASP 21 CO -0.06 -0.35 -0.21 0.68 1.18 0.00 0.00 175.17 176.40 1jbi s VAL 22 N 2.29 2.44 -0.09 -1.27 -7.23 0.39 -0.52 120.40 116.41 1jbi s VAL 22 Ca 0.19 -2.26 0.04 0.00 -1.81 0.00 0.00 61.98 58.14 1jbi s VAL 22 Cb -0.16 -2.24 -0.00 0.00 0.56 0.00 0.00 36.38 34.55 1jbi s VAL 22 CO 0.11 -0.29 -0.23 -0.76 -0.31 0.00 0.00 175.10 173.62 1jbi s LEU 23 N -3.19 2.05 -0.54 1.32 2.01 -0.78 -1.10 118.68 118.45 1jbi s LEU 23 Ca 0.26 -0.53 -0.03 0.00 0.01 0.00 0.00 54.13 53.85 1jbi s LEU 23 Cb -0.06 -1.35 0.14 0.00 0.01 0.00 0.00 46.19 44.93 1jbi s LEU 23 CO 0.13 0.17 0.36 0.00 1.01 0.00 0.00 176.35 178.02 1jbi s PRO 25 N 0.43 4.14 0.00 0.00 0.04 -1.26 -1.07 135.00 137.28 1jbi s PRO 25 Ca 0.13 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1jbi s PRO 25 Cb -0.21 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1jbi s PRO 25 CO -0.04 -0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.30 1jbi n GLY 26 N -0.64 -1.62 0.19 0.56 0.00 -1.26 -4.62 105.19 97.81 1jbi n GLY 26 Ca 0.07 -1.53 0.14 0.00 0.00 0.00 0.00 46.02 44.70 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 -6.55 -0.02 0.00 -1.90 -3.19 103.07 91.40 1jbi h GLY 27 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.92 1jbi h GLY 27 CO 0.00 0.00 -1.12 0.00 0.00 0.00 0.00 176.54 175.42 1jbi s PRO 29 N -3.40 3.21 -1.38 0.00 0.04 -1.26 -4.67 135.00 127.54 1jbi s PRO 29 Ca 0.23 1.76 -0.11 0.00 0.04 0.00 0.00 61.00 62.92 1jbi s PRO 29 Cb -0.03 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 1jbi s PRO 29 CO 0.88 -1.00 2.53 1.28 0.04 0.00 0.00 177.00 180.73 1jbi n LEU 30 N -1.34 7.18 -0.13 -3.56 4.32 -1.26 -4.37 117.00 117.85 1jbi n LEU 30 Ca 0.12 -3.91 -0.27 0.00 -0.02 0.00 0.00 56.01 51.93 1jbi n LEU 30 Cb 0.50 -1.46 -0.11 0.00 -1.62 0.00 0.00 43.42 40.73 1jbi n LEU 30 CO 0.44 1.35 -1.12 1.21 -1.22 0.00 0.00 177.39 178.05 1jbi n GLU 31 N 4.64 0.58 -3.48 3.23 2.13 -1.26 -4.75 120.64 121.73 1jbi n GLU 31 Ca 0.63 0.37 -0.29 0.00 0.66 0.00 0.00 57.16 58.54 1jbi n GLU 31 Cb 0.27 -1.58 -0.12 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 -2.46 0.69 -0.28 5.31 2.02 -1.26 -5.08 118.70 117.64 1jbi s GLU 32 Ca -0.35 -1.54 -0.04 0.00 0.02 0.00 0.00 54.97 53.06 1jbi s GLU 32 Cb 0.12 -1.44 0.03 0.00 0.10 0.00 0.00 34.13 32.94 1jbi s GLU 32 CO 0.53 -1.24 0.01 -0.06 0.02 0.00 0.00 175.26 174.52 1jbi s PHE 33 N 0.81 3.15 -0.09 1.61 0.40 -1.26 -4.93 117.98 117.67 1jbi s PHE 33 Ca 0.20 -1.40 0.02 0.00 -0.60 0.00 0.00 56.93 55.16 1jbi s PHE 33 Cb -0.19 -2.16 -0.02 0.00 0.51 0.00 0.00 43.02 41.17 1jbi s PHE 33 CO -0.03 -0.69 -0.16 0.45 0.70 0.00 0.00 175.22 175.49 1jbi s SER 34 N 1.38 3.79 0.01 1.36 0.15 -1.26 -4.67 113.70 114.46 1jbi s SER 34 Ca -0.00 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.32 1jbi s SER 34 Cb -0.18 -1.22 -0.01 0.00 -1.71 0.00 0.00 66.02 62.90 1jbi s SER 34 CO -0.01 0.24 -0.02 -0.69 1.20 0.00 0.00 173.24 173.95 1jbi s VAL 35 N -0.09 0.11 -0.27 4.45 1.01 -1.24 -1.50 120.40 122.88 1jbi s VAL 35 Ca -0.03 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 1jbi s VAL 35 Cb -0.14 -0.21 0.09 0.00 0.00 0.00 0.00 36.38 36.12 1jbi s VAL 35 CO 0.04 -0.32 0.09 -0.31 0.00 0.00 0.00 175.10 174.60 1jbi s TYR 36 N -0.97 1.09 0.00 5.22 1.51 -1.26 -2.06 117.35 120.88 1jbi s TYR 36 Ca -0.10 -1.24 0.00 0.00 -1.01 0.00 0.00 57.07 54.72 1jbi s TYR 36 Cb -0.07 -1.29 0.00 0.00 -0.11 0.00 0.00 41.96 40.50 1jbi s TYR 36 CO -0.01 -0.79 0.00 0.41 -1.11 0.00 0.00 175.55 174.05 1jbi n GLY 37 N 5.03 0.16 3.85 0.71 0.00 0.00 -0.75 105.19 114.20 1jbi n GLY 37 Ca -0.05 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.27 6.64 0.00 1.61 4.22 -1.26 -4.43 114.94 120.45 1jbi s ASN 38 Ca 0.00 0.76 0.00 0.00 -2.14 0.00 0.00 52.86 51.48 1jbi s ASN 38 Cb 0.00 -2.18 0.00 0.00 1.28 0.00 0.00 41.25 40.35 1jbi s ASN 38 CO 0.00 0.35 0.00 -0.38 -2.04 0.00 0.00 177.10 175.03 1jbi n ILE 39 N 1.84 0.00 -2.65 0.54 2.08 -1.26 -4.67 119.36 115.25 1jbi n ILE 39 Ca -0.16 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 62.73 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 4.02 -0.36 1.39 1.01 -1.26 -4.21 120.40 121.00 1jbi s VAL 40 Ca 0.00 0.51 -0.19 0.00 0.00 0.00 0.00 61.98 62.30 1jbi s VAL 40 Cb 0.00 -4.75 0.00 0.00 0.00 0.00 0.00 36.38 31.63 1jbi s VAL 40 CO 0.00 -1.48 0.54 -0.31 0.00 0.00 0.00 175.10 173.85 1jbi s TYR 41 N 4.93 3.17 0.81 5.22 2.02 0.33 -4.01 117.35 129.81 1jbi s TYR 41 Ca 0.36 0.17 -0.11 0.00 -0.37 0.00 0.00 57.07 57.12 1jbi s TYR 41 Cb -0.09 -2.99 0.09 0.00 -0.40 0.00 0.00 41.96 38.56 1jbi s TYR 41 CO 0.19 -0.58 1.13 0.00 -1.57 0.00 0.00 175.55 174.72 1jbi s ALA 42 N 2.46 1.95 0.30 3.71 0.00 0.08 -0.37 121.76 129.89 1jbi s ALA 42 Ca 0.20 0.48 0.03 0.00 0.00 0.00 0.00 51.96 52.66 1jbi s ALA 42 Cb -0.15 -3.37 0.77 0.00 0.00 0.00 0.00 23.12 20.37 1jbi s ALA 42 CO 0.14 -2.13 1.59 1.03 0.00 0.00 0.00 175.76 176.39 1jbi h SER 43 N -1.25 -0.31 0.37 0.00 0.87 -1.74 -0.97 113.55 110.52 1jbi h SER 43 Ca -0.44 0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1jbi h SER 43 Cb 1.25 0.42 0.00 0.00 -0.44 0.00 0.00 62.40 63.63 1jbi h SER 43 CO 0.48 -0.31 0.00 1.62 -0.53 0.00 0.00 176.83 178.08 1jbi h VAL 44 N 0.05 0.00 -3.98 2.23 3.04 -1.90 -0.52 116.25 115.17 1jbi h VAL 44 Ca 0.60 -0.17 -0.54 0.00 -1.01 0.00 0.00 66.70 65.58 1jbi h VAL 44 Cb 1.26 1.03 0.11 0.00 -2.01 0.00 0.00 31.29 31.67 1jbi h VAL 44 CO -0.84 0.00 0.69 -0.44 -1.01 0.00 0.00 177.57 175.97 1jbi s SER 45 N -4.95 5.95 0.47 3.17 0.01 -0.37 -4.62 113.70 113.36 1jbi s SER 45 Ca -0.02 2.88 -0.24 0.00 1.31 0.00 0.00 55.95 59.89 1jbi s SER 45 Cb 0.10 -2.65 -0.07 0.00 0.21 0.00 0.00 66.02 63.61 1jbi s SER 45 CO 0.40 -1.12 1.31 -0.55 0.41 0.00 0.00 173.24 173.69 1jbi s SER 46 N -0.54 5.86 0.04 2.44 0.15 -0.56 -0.98 113.70 120.12 1jbi s SER 46 Ca 0.60 2.66 -0.24 0.00 0.70 0.00 0.00 55.95 59.67 1jbi s SER 46 Cb -0.43 -2.63 -0.17 0.00 -1.71 0.00 0.00 66.02 61.08 1jbi s SER 46 CO 0.55 -1.16 1.55 0.40 1.20 0.00 0.00 173.24 175.78 1jbi h ILE 47 N 1.97 1.16 -0.60 6.45 2.04 -1.39 0.58 117.51 127.72 1jbi h ILE 47 Ca -0.50 -0.48 0.02 0.00 1.00 0.00 0.00 64.86 64.90 1jbi h ILE 47 Cb 1.27 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 38.79 1jbi h ILE 47 CO 0.60 0.12 0.38 0.00 0.00 0.00 0.00 178.15 179.25 1jbi h GLY 49 N 0.76 -0.99 0.77 0.00 0.00 -1.79 0.43 103.07 102.24 1jbi h GLY 49 Ca 0.23 0.59 0.04 0.00 0.00 0.00 0.00 47.33 48.19 1jbi h GLY 49 CO -0.08 -0.26 0.21 0.00 0.00 0.00 0.00 176.54 176.42 1jbi h ALA 50 N -0.30 0.54 0.71 3.60 0.00 -0.75 -0.53 119.26 122.54 1jbi h ALA 50 Ca 0.02 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1jbi h ALA 50 Cb 0.71 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1jbi h ALA 50 CO -0.31 -0.14 -0.34 0.00 0.00 0.00 0.00 179.25 178.46 1jbi h ALA 51 N 1.23 -0.96 -0.23 0.00 0.00 -0.32 0.11 119.26 119.10 1jbi h ALA 51 Ca 0.19 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1jbi h ALA 51 Cb 0.10 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1jbi h ALA 51 CO -0.13 -1.00 -0.21 0.28 0.00 0.00 0.00 179.25 178.18 1jbi h VAL 52 N -1.03 1.25 0.16 0.00 2.07 -0.98 0.47 116.25 118.20 1jbi h VAL 52 Ca -0.10 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 1jbi h VAL 52 Cb 0.75 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1jbi h VAL 52 CO 0.16 0.36 -0.08 -0.74 0.02 0.00 0.00 177.57 177.30 1jbi h HIS 53 N 0.38 -0.20 -0.26 1.57 6.17 -0.92 -1.65 115.15 120.24 1jbi h HIS 53 Ca 0.06 -0.00 0.07 0.00 0.71 0.00 0.00 60.37 61.21 1jbi h HIS 53 Cb 0.59 0.07 -0.01 0.00 2.52 0.00 0.00 27.41 30.57 1jbi h HIS 53 CO 0.02 -0.10 0.20 -0.09 0.71 0.00 0.00 177.93 178.66 1jbi h ARG 54 N -0.24 0.00 -0.28 5.26 9.65 -0.60 -3.42 114.38 124.74 1jbi h ARG 54 Ca -0.02 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1jbi h ARG 54 Cb 0.19 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.77 1jbi h ARG 54 CO 0.04 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.22 1jbi n GLY 55 N -1.55 0.85 0.12 2.80 0.00 -0.22 -5.02 105.19 102.18 1jbi n GLY 55 Ca 0.03 -0.61 -0.04 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 -1.86 1.61 2.07 -1.22 -3.48 116.25 113.36 1jbi h VAL 56 Ca 0.00 -0.17 -0.61 0.00 0.82 0.00 0.00 66.70 66.74 1jbi h VAL 56 Cb 0.75 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.40 1jbi h VAL 56 CO 0.00 0.00 -0.63 0.27 0.02 0.00 0.00 177.57 177.23 1jbi s ILE 57 N -2.83 2.34 0.65 4.57 -4.36 -1.26 -5.01 121.20 115.30 1jbi s ILE 57 Ca -0.04 -2.05 0.03 0.00 -0.26 0.00 0.00 60.65 58.32 1jbi s ILE 57 Cb 0.00 -2.78 0.10 0.00 1.25 0.00 0.00 42.46 41.03 1jbi s ILE 57 CO 0.13 -0.15 0.89 -0.44 0.24 0.00 0.00 174.94 175.61 1jbi s SER 58 N -3.68 4.72 -0.98 4.36 0.01 -1.26 -4.41 113.70 112.45 1jbi s SER 58 Ca 0.34 -0.45 -0.21 0.00 1.31 0.00 0.00 55.95 56.94 1jbi s SER 58 Cb 0.03 -0.06 -0.11 0.00 0.21 0.00 0.00 66.02 66.09 1jbi s SER 58 CO 0.18 -1.59 1.95 -3.20 0.41 0.00 0.00 173.24 170.99 1jbi n ASN 59 N -2.57 2.96 0.00 2.44 5.15 -1.26 -3.53 115.26 118.45 1jbi n ASN 59 Ca 0.14 -2.72 0.00 0.00 -0.60 0.00 0.00 54.58 51.40 1jbi n ASN 59 Cb 0.61 -1.37 0.00 0.00 -0.53 0.00 0.00 39.78 38.48 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 9.21 0.00 0.00 1.20 2.88 -0.65 -4.88 113.62 121.38 1jbi n SER 60 Ca 0.49 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 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 -2.34 0.00 0.46 0.00 -1.11 -4.14 105.19 98.06 1jbi n GLY 61 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.21 1.03 3.77 -0.02 0.00 -0.23 -4.67 105.19 104.86 1jbi n GLY 62 Ca 0.00 -1.95 -0.38 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.03 4.28 0.09 1.61 0.04 -1.26 -0.88 135.00 137.86 1jbi s PRO 63 Ca 0.00 1.60 -0.06 0.00 0.04 0.00 0.00 61.00 62.58 1jbi s PRO 63 Cb 0.00 -2.71 -0.02 0.00 0.04 0.00 0.00 34.50 31.81 1jbi s PRO 63 CO 0.00 -0.06 0.13 0.08 0.04 0.00 0.00 177.00 177.19 1jbi s VAL 64 N -1.52 0.15 -0.17 -0.36 1.01 -0.26 -4.64 120.40 114.61 1jbi s VAL 64 Ca 0.54 -1.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.04 1jbi s VAL 64 Cb -0.25 -1.54 0.05 0.00 0.00 0.00 0.00 36.38 34.65 1jbi s VAL 64 CO 0.31 -0.67 0.03 -0.60 0.00 0.00 0.00 175.10 174.17 1jbi s ARG 65 N -3.91 0.68 -0.21 2.72 3.52 -0.18 -0.46 118.95 121.10 1jbi s ARG 65 Ca 0.09 -0.34 -0.17 0.00 -0.13 0.00 0.00 55.73 55.18 1jbi s ARG 65 Cb 0.06 -1.92 -0.03 0.00 -1.56 0.00 0.00 34.95 31.49 1jbi s ARG 65 CO -0.08 -0.58 0.47 0.08 -0.81 0.00 0.00 175.30 174.38 1jbi s VAL 66 N 1.87 5.14 -0.22 7.11 1.01 0.41 -0.46 120.40 135.25 1jbi s VAL 66 Ca 0.00 0.84 -0.08 0.00 0.00 0.00 0.00 61.98 62.74 1jbi s VAL 66 Cb -0.16 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1jbi s VAL 66 CO -0.07 0.19 0.08 -0.31 0.00 0.00 0.00 175.10 174.98 1jbi s TYR 67 N 1.63 3.18 0.73 5.22 1.51 0.18 -0.35 117.35 129.45 1jbi s TYR 67 Ca 0.21 -0.11 -0.14 0.00 -1.01 0.00 0.00 57.07 56.02 1jbi s TYR 67 Cb -0.15 -2.17 0.04 0.00 -0.11 0.00 0.00 41.96 39.57 1jbi s TYR 67 CO 0.09 -0.08 1.16 -1.54 -1.11 0.00 0.00 175.55 174.08 1jbi s SER 68 N 0.98 4.36 0.04 2.29 1.04 -0.61 -0.76 113.70 121.04 1jbi s SER 68 Ca 0.04 2.20 0.02 0.00 0.48 0.00 0.00 55.95 58.69 1jbi s SER 68 Cb -0.14 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.39 1jbi s SER 68 CO 0.03 -2.15 -0.08 -0.22 0.98 0.00 0.00 173.24 171.81 1jbi s LEU 69 N -5.26 2.26 1.21 2.42 0.20 -0.10 -4.72 118.68 114.68 1jbi s LEU 69 Ca 0.71 -0.55 -0.13 0.00 0.69 0.00 0.00 54.13 54.84 1jbi s LEU 69 Cb -0.25 -0.15 0.31 0.00 -0.43 0.00 0.00 46.19 45.67 1jbi s LEU 69 CO 0.46 -0.21 1.01 -2.16 -0.29 0.00 0.00 176.35 175.16 1jbi s PRO 70 N -1.59 -1.27 0.26 0.98 0.04 -1.26 -2.45 135.00 129.70 1jbi s PRO 70 Ca -0.10 0.79 -0.31 0.00 0.04 0.00 0.00 61.00 61.42 1jbi s PRO 70 Cb -0.10 -1.52 -0.13 0.00 0.04 0.00 0.00 34.50 32.80 1jbi s PRO 70 CO 0.00 -3.94 1.46 0.41 0.04 0.00 0.00 177.00 174.97 1jbi n GLY 71 N 1.00 0.94 3.18 0.56 0.00 -1.26 -3.59 105.19 106.02 1jbi n GLY 71 Ca 0.02 0.49 -0.11 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.43 1.01 0.30 1.61 0.52 -0.26 -4.91 118.95 116.79 1jbi s ARG 72 Ca 0.67 -1.49 -0.04 0.00 -0.52 0.00 0.00 55.73 54.36 1jbi s ARG 72 Cb -0.60 0.08 0.02 0.00 0.52 0.00 0.00 34.95 34.96 1jbi s ARG 72 CO 0.49 -0.23 0.46 -0.85 0.02 0.00 0.00 175.30 175.20 1jbi n GLU 73 N -0.16 0.67 -4.01 3.54 0.00 -1.26 -1.23 120.64 118.19 1jbi n GLU 73 Ca -0.05 -2.26 -0.27 0.00 0.00 0.00 0.00 57.16 54.58 1jbi n GLU 73 Cb 0.64 2.29 -0.03 0.00 0.00 0.00 0.00 31.44 34.33 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 -1.65 -0.34 -2.77 -1.84 3.02 -1.26 -4.97 115.26 105.46 1jbi n ASN 74 Ca -0.01 -1.06 -0.10 0.00 -0.03 0.00 0.00 54.58 53.38 1jbi n ASN 74 Cb 0.50 -2.79 0.08 0.00 -0.61 0.00 0.00 39.78 36.95 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 -4.44 -3.59 -4.28 3.10 4.02 -1.26 -5.07 117.16 105.64 1jbi n TYR 75 Ca -0.30 -0.36 -0.15 0.00 -0.01 0.00 0.00 57.90 57.08 1jbi n TYR 75 Cb 0.68 -0.37 -0.10 0.00 -0.02 0.00 0.00 39.34 39.53 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 -2.56 0.95 -0.10 7.72 0.01 -1.26 -4.82 113.70 113.64 1jbi s SER 76 Ca 0.25 -1.36 0.01 0.00 1.31 0.00 0.00 55.95 56.15 1jbi s SER 76 Cb -0.02 0.21 0.02 0.00 0.21 0.00 0.00 66.02 66.44 1jbi s SER 76 CO 0.18 -0.74 -0.11 -0.44 0.41 0.00 0.00 173.24 172.54 1jbi s SER 77 N -3.26 2.17 -0.04 2.44 0.01 -1.26 -2.16 113.70 111.60 1jbi s SER 77 Ca 0.36 -0.34 -0.16 0.00 1.31 0.00 0.00 55.95 57.12 1jbi s SER 77 Cb 0.07 -0.92 0.03 0.00 0.21 0.00 0.00 66.02 65.42 1jbi s SER 77 CO 0.12 -0.05 0.37 -0.69 0.41 0.00 0.00 173.24 173.40 1jbi s VAL 78 N 1.29 0.04 -0.22 3.43 1.01 -0.93 -4.96 120.40 120.06 1jbi s VAL 78 Ca -0.02 -0.33 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 1jbi s VAL 78 Cb -0.14 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1jbi s VAL 78 CO -0.04 -0.18 0.10 -0.62 0.00 0.00 0.00 175.10 174.35 1jbi s ASP 79 N -1.02 5.60 -0.02 3.32 -1.08 -1.26 -0.95 116.67 121.26 1jbi s ASP 79 Ca -0.11 -0.02 0.01 0.00 -0.52 0.00 0.00 52.55 51.92 1jbi s ASP 79 Cb -0.04 -1.99 0.01 0.00 -1.46 0.00 0.00 42.92 39.44 1jbi s ASP 79 CO 0.04 0.06 -0.03 0.00 0.52 0.00 0.00 175.17 175.76 1jbi s ALA 80 N 1.05 0.45 -1.09 3.66 0.00 -0.65 -4.82 121.76 120.35 1jbi s ALA 80 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1jbi s ALA 80 Cb -0.14 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.74 1jbi s ALA 80 CO 0.04 0.03 0.00 0.09 0.00 0.00 0.00 175.76 175.91 1jbi n ASN 81 N 3.57 -3.71 0.00 0.00 3.02 -1.26 -1.15 115.26 115.73 1jbi n ASN 81 Ca -0.20 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1jbi n ASN 81 Cb 0.54 -3.22 0.00 0.00 -0.61 0.00 0.00 39.78 36.49 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 -0.67 0.75 3.73 7.41 0.00 -1.26 -4.99 105.19 110.16 1jbi n GLY 82 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.75 4.88 -0.20 -0.61 1.01 -0.30 -5.08 121.20 118.16 1jbi s ILE 83 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 60.65 60.56 1jbi s ILE 83 Cb 0.00 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 1jbi s ILE 83 CO 0.00 0.55 0.07 -1.58 0.00 0.00 0.00 174.94 173.99 1jbi s GLN 84 N -0.42 3.94 0.01 2.79 2.00 -1.26 -1.64 119.66 125.07 1jbi s GLN 84 Ca 0.10 -0.36 -0.00 0.00 -2.00 0.00 0.00 55.36 53.10 1jbi s GLN 84 Cb -0.12 -3.27 -0.04 0.00 0.80 0.00 0.00 33.01 30.38 1jbi s GLN 84 CO 0.02 0.18 0.09 -1.54 -0.50 0.00 0.00 175.29 173.54 1jbi s SER 85 N 0.64 5.74 0.04 6.67 1.04 -0.13 -3.62 113.70 124.08 1jbi s SER 85 Ca 0.04 0.15 0.04 0.00 0.48 0.00 0.00 55.95 56.66 1jbi s SER 85 Cb -0.13 -1.65 -0.02 0.00 0.10 0.00 0.00 66.02 64.32 1jbi s SER 85 CO 0.01 0.26 -0.13 0.00 0.98 0.00 0.00 173.24 174.36 1jbi s GLN 86 N -1.86 0.86 1.05 4.02 -2.07 -0.87 -2.18 119.66 118.61 1jbi s GLN 86 Ca 0.24 -0.71 -0.12 0.00 -1.82 0.00 0.00 55.36 52.95 1jbi s GLN 86 Cb -0.12 -0.85 0.22 0.00 -1.09 0.00 0.00 33.01 31.17 1jbi s GLN 86 CO 0.16 0.21 1.07 0.00 -1.32 0.00 0.00 175.29 175.40 1jbi s MET 87 N -1.09 -0.00 0.21 9.60 0.23 -0.92 -0.82 119.30 126.51 1jbi s MET 87 Ca 0.01 0.84 -0.00 0.00 -1.03 0.00 0.00 55.69 55.50 1jbi s MET 87 Cb -0.08 -1.66 -0.04 0.00 -1.53 0.00 0.00 34.83 31.52 1jbi s MET 87 CO 0.01 -3.11 0.13 -0.51 -2.03 0.00 0.00 175.02 169.51 1jbi s LEU 88 N -6.79 1.23 -0.88 0.18 1.02 -1.26 -4.85 118.68 107.33 1jbi s LEU 88 Ca 0.67 -1.40 -0.01 0.00 0.02 0.00 0.00 54.13 53.41 1jbi s LEU 88 Cb -0.22 0.34 0.23 0.00 0.02 0.00 0.00 46.19 46.56 1jbi s LEU 88 CO 0.61 -0.83 0.85 -1.54 0.02 0.00 0.00 176.35 175.46 1jbi n SER 89 N -0.34 4.36 -2.66 2.29 3.41 -1.26 -4.36 113.62 115.06 1jbi n SER 89 Ca 0.02 -3.21 -0.08 0.00 -0.26 0.00 0.00 58.87 55.33 1jbi n SER 89 Cb 0.66 -1.01 0.04 0.00 -0.26 0.00 0.00 64.21 63.64 1jbi n SER 89 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1jbi n ARG 90 N 1.96 -1.40 -2.78 4.33 0.63 -1.24 -4.98 116.66 113.18 1jbi n ARG 90 Ca 0.23 0.70 -0.43 0.00 -0.92 0.00 0.00 57.85 57.43 1jbi n ARG 90 Cb 0.37 -4.42 -0.04 0.00 0.45 0.00 0.00 32.46 28.82 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 -3.21 2.99 0.00 -0.14 -0.11 -0.36 -4.92 118.94 113.18 1jbi s TRP 91 Ca 0.25 0.64 0.00 0.00 1.22 0.00 0.00 56.10 58.21 1jbi s TRP 91 Cb -0.03 -3.87 0.00 0.00 -1.50 0.00 0.00 33.47 28.07 1jbi s TRP 91 CO 0.50 -0.98 1.33 0.43 -4.62 0.00 0.00 176.95 173.61 1jbi n SER 92 N 7.06 3.75 -3.18 5.86 7.64 -1.26 -1.10 113.62 132.39 1jbi n SER 92 Ca 0.08 -2.07 0.04 0.00 1.01 0.00 0.00 58.87 57.92 1jbi n SER 92 Cb 0.48 -0.72 -0.01 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 0.08 -2.59 0.40 -0.43 0.00 -1.26 -4.35 121.76 113.61 1jbi s ALA 93 Ca 0.00 1.76 0.04 0.00 0.00 0.00 0.00 51.96 53.76 1jbi s ALA 93 Cb 0.00 -2.24 -0.03 0.00 0.00 0.00 0.00 23.12 20.85 1jbi s ALA 93 CO 0.00 -1.34 0.12 -1.12 0.00 0.00 0.00 175.76 173.42 1jbi s SER 94 N 2.88 2.79 0.31 0.00 0.01 -1.03 -2.14 113.70 116.51 1jbi s SER 94 Ca 0.13 -1.65 -0.14 0.00 1.31 0.00 0.00 55.95 55.60 1jbi s SER 94 Cb -0.13 0.46 0.02 0.00 0.21 0.00 0.00 66.02 66.58 1jbi s SER 94 CO -0.18 -0.90 0.62 0.72 0.41 0.00 0.00 173.24 173.90 1jbi s PHE 95 N -3.21 0.28 -0.08 2.43 -0.12 0.50 -0.92 117.98 116.85 1jbi s PHE 95 Ca 0.24 -0.72 -0.07 0.00 -0.05 0.00 0.00 56.93 56.33 1jbi s PHE 95 Cb 0.03 0.44 0.03 0.00 -0.63 0.00 0.00 43.02 42.88 1jbi s PHE 95 CO 0.14 -1.22 0.21 -0.08 -0.05 0.00 0.00 175.22 174.22 1jbi s THR 96 N -3.41 -0.01 0.12 -4.49 -1.32 0.06 -0.52 115.64 106.07 1jbi s THR 96 Ca 0.19 0.04 0.04 0.00 -1.21 0.00 0.00 61.69 60.75 1jbi s THR 96 Cb -0.03 -0.31 -0.04 0.00 -1.51 0.00 0.00 72.50 70.61 1jbi s THR 96 CO 0.11 0.02 0.08 0.54 -2.21 0.00 0.00 174.62 173.16 1jbi s VAL 97 N 0.39 4.37 0.29 5.08 0.11 -1.26 -0.65 120.40 128.74 1jbi s VAL 97 Ca -0.02 -0.96 -0.06 0.00 -2.93 0.00 0.00 61.98 58.01 1jbi s VAL 97 Cb -0.04 -3.15 -0.01 0.00 -1.53 0.00 0.00 36.38 31.65 1jbi s VAL 97 CO -0.02 0.03 0.42 0.42 -3.33 0.00 0.00 175.10 172.62 1jbi s THR 98 N -1.52 0.00 0.63 5.04 -4.23 0.39 -4.96 115.64 110.99 1jbi s THR 98 Ca 0.29 -1.60 -0.14 0.00 -1.18 0.00 0.00 61.69 59.06 1jbi s THR 98 Cb -0.11 -2.47 -0.02 0.00 1.34 0.00 0.00 72.50 71.24 1jbi s THR 98 CO 0.22 0.00 1.06 -0.76 -0.54 0.00 0.00 174.62 174.59 1jbi s LEU 99 N -3.15 3.37 0.00 4.79 1.43 -1.26 -1.01 118.68 122.84 1jbi s LEU 99 Ca 0.29 1.74 0.28 0.00 -1.03 0.00 0.00 54.13 55.41 1jbi s LEU 99 Cb 0.01 -4.52 1.08 0.00 0.03 0.00 0.00 46.19 42.78 1jbi s LEU 99 CO 0.15 -1.26 1.76 1.21 0.23 0.00 0.00 176.35 178.44