#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnd n HIS 46 N 2.13 -0.24 -4.40 0.00 1.44 -1.26 -5.06 115.22 107.83 2jnd n HIS 46 Ca -0.18 -0.21 -0.19 0.00 -2.01 0.00 0.00 57.72 55.14 2jnd n HIS 46 Cb 0.56 0.64 -0.05 0.00 0.12 0.00 0.00 29.99 31.26 2jnd n HIS 46 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2jnd n ARG 47 N -0.18 0.89 0.00 -1.40 1.74 -1.26 -4.82 116.66 111.63 2jnd n ARG 47 Ca -0.03 -2.35 0.00 0.00 -0.77 0.00 0.00 57.85 54.70 2jnd n ARG 47 Cb 0.52 1.01 0.00 0.00 -1.02 0.00 0.00 32.46 32.98 2jnd n ARG 47 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 2jnd n THR 48 N -0.70 0.00 -1.57 0.55 5.66 -1.26 -4.53 114.28 112.44 2jnd n THR 48 Ca -0.08 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.88 2jnd n THR 48 Cb 0.41 0.00 0.18 0.00 -1.55 0.00 0.00 70.33 69.37 2jnd n THR 48 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 2jnd n THR 49 N -0.18 2.47 -0.02 1.09 5.66 -1.26 -4.59 114.28 117.45 2jnd n THR 49 Ca 0.00 -3.09 0.06 0.00 -3.05 0.00 0.00 64.05 57.96 2jnd n THR 49 Cb 0.00 -0.40 -0.15 0.00 -1.55 0.00 0.00 70.33 68.23 2jnd n THR 49 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 2jnd n ILE 50 N -1.08 0.42 0.00 1.09 5.41 -1.26 -4.88 119.36 119.06 2jnd n ILE 50 Ca 0.30 -0.60 0.00 0.00 1.00 0.00 0.00 62.75 63.46 2jnd n ILE 50 Cb 0.90 -0.17 0.00 0.00 -0.71 0.00 0.00 39.64 39.66 2jnd n ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2jnd n GLY 51 N 1.37 1.88 3.40 7.39 0.00 -1.26 -5.07 105.19 112.90 2jnd n GLY 51 Ca -0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 2jnd n GLY 51 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jnd s ASN 52 N -1.01 2.72 0.32 1.61 0.01 -1.26 -5.16 114.94 112.17 2jnd s ASN 52 Ca 0.00 -1.12 -0.12 0.00 -0.71 0.00 0.00 52.86 50.91 2jnd s ASN 52 Cb 0.00 -0.16 0.02 0.00 0.41 0.00 0.00 41.25 41.52 2jnd s ASN 52 CO 0.00 -0.26 0.61 0.72 -1.51 0.00 0.00 177.10 176.66 2jnd s PHE 53 N -2.98 0.40 0.00 2.20 -0.12 -1.26 -5.01 117.98 111.21 2jnd s PHE 53 Ca 0.27 -0.84 0.00 0.00 -0.05 0.00 0.00 56.93 56.31 2jnd s PHE 53 Cb 0.02 0.38 0.00 0.00 -0.63 0.00 0.00 43.02 42.79 2jnd s PHE 53 CO 0.10 -1.24 0.00 0.45 -0.05 0.00 0.00 175.22 174.48 2jnd n SER 54 N -0.98 0.00 -2.73 1.98 2.88 -1.26 -5.10 113.62 108.41 2jnd n SER 54 Ca -0.03 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.45 2jnd n SER 54 Cb 0.61 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.11 2jnd n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jnd n GLY 55 N 0.00 -0.57 2.07 0.46 0.00 -1.26 -5.17 105.19 100.73 2jnd n GLY 55 Ca 0.00 0.47 -0.16 0.00 0.00 0.00 0.00 46.02 46.33 2jnd n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jnd n PRO 56 N 2.15 -0.79 -3.85 1.61 -0.04 -1.26 -5.09 135.00 127.72 2jnd n PRO 56 Ca 0.11 -1.10 -0.26 0.00 -0.04 0.00 0.00 63.50 62.22 2jnd n PRO 56 Cb 0.62 -0.75 -0.17 0.00 -0.04 0.00 0.00 33.50 33.16 2jnd n PRO 56 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2jnd s TYR 57 N -2.54 1.22 -0.18 0.54 1.51 -1.26 -4.96 117.35 111.68 2jnd s TYR 57 Ca 0.41 -0.59 -0.03 0.00 -1.01 0.00 0.00 57.07 55.85 2jnd s TYR 57 Cb -0.01 -1.09 0.01 0.00 -0.11 0.00 0.00 41.96 40.76 2jnd s TYR 57 CO 0.29 -0.47 0.06 0.25 -1.11 0.00 0.00 175.55 174.57 2jnd n THR 58 N 5.01 -9.22 -3.74 -0.71 -2.24 -1.26 -5.05 114.28 97.07 2jnd n THR 58 Ca -0.10 1.50 -0.13 0.00 -2.27 0.00 0.00 64.05 63.05 2jnd n THR 58 Cb 0.50 -5.87 -0.11 0.00 -2.10 0.00 0.00 70.33 62.75 2jnd n THR 58 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2jnd s TYR 59 N -0.89 -0.43 -1.13 4.78 1.13 -1.26 -4.51 117.35 115.04 2jnd s TYR 59 Ca -0.07 1.03 -0.09 0.00 -1.41 0.00 0.00 57.07 56.53 2jnd s TYR 59 Cb 0.00 0.15 0.27 0.00 -1.10 0.00 0.00 41.96 41.29 2jnd s TYR 59 CO 0.54 -0.22 1.14 0.00 -2.51 0.00 0.00 175.55 174.50 2jnd n ASN 61 N 2.85 -2.40 -4.49 0.00 3.02 -1.26 0.20 115.26 113.17 2jnd n ASN 61 Ca 0.25 -0.26 -0.56 0.00 -0.03 0.00 0.00 54.58 53.98 2jnd n ASN 61 Cb 0.39 -1.06 -0.07 0.00 -0.61 0.00 0.00 39.78 38.43 2jnd n ASN 61 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2jnd n THR 62 N -4.84 0.45 -4.13 3.41 -1.04 -1.26 -4.44 114.28 102.44 2jnd n THR 62 Ca 0.03 -0.11 -0.15 0.00 -2.04 0.00 0.00 64.05 61.78 2jnd n THR 62 Cb 0.57 -0.08 -0.13 0.00 -1.82 0.00 0.00 70.33 68.87 2jnd n THR 62 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2jnd s THR 63 N -0.19 0.53 0.46 12.58 -1.32 0.47 -4.95 115.64 123.22 2jnd s THR 63 Ca 0.84 -0.72 0.08 0.00 -1.21 0.00 0.00 61.69 60.69 2jnd s THR 63 Cb -1.17 -0.53 0.02 0.00 -1.51 0.00 0.00 72.50 69.31 2jnd s THR 63 CO 0.56 -0.14 0.55 -0.22 -2.21 0.00 0.00 174.62 173.16 2jnd s LEU 64 N -0.94 3.40 0.06 9.08 0.20 -1.26 0.18 118.68 129.40 2jnd s LEU 64 Ca -0.04 -0.66 -0.05 0.00 0.69 0.00 0.00 54.13 54.07 2jnd s LEU 64 Cb -0.07 -2.17 -0.02 0.00 -0.43 0.00 0.00 46.19 43.51 2jnd s LEU 64 CO 0.00 -0.88 0.07 -1.81 -0.29 0.00 0.00 176.35 173.45 2jnd s ASP 65 N -4.35 0.29 0.17 3.68 1.01 -0.73 -4.88 116.67 111.86 2jnd s ASP 65 Ca 0.53 -0.77 -0.23 0.00 0.71 0.00 0.00 52.55 52.78 2jnd s ASP 65 Cb -0.07 0.25 0.06 0.00 1.01 0.00 0.00 42.92 44.18 2jnd s ASP 65 CO 0.32 -0.62 1.59 -0.61 0.21 0.00 0.00 175.17 176.05 2jnd h GLN 66 N 3.13 -0.24 0.00 8.23 -0.00 -2.01 0.33 115.11 124.55 2jnd h GLN 66 Ca -0.34 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.33 2jnd h GLN 66 Cb 1.17 0.05 0.00 0.00 0.00 0.00 0.00 27.48 28.71 2jnd h GLN 66 CO 0.59 -0.16 0.00 -0.89 0.00 0.00 0.00 178.83 178.37 2jnd n ILE 67 N -5.42 0.87 0.00 2.39 5.41 -1.26 -4.84 119.36 116.51 2jnd n ILE 67 Ca 0.01 0.35 0.00 0.00 1.00 0.00 0.00 62.75 64.11 2jnd n ILE 67 Cb 0.35 -1.30 0.00 0.00 -0.71 0.00 0.00 39.64 37.98 2jnd n ILE 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2jnd n GLY 68 N -0.30 1.03 3.63 7.39 0.00 0.11 -4.96 105.19 112.08 2jnd n GLY 68 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2jnd n GLY 68 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jnd n THR 69 N -0.97 0.55 -3.19 2.61 -1.04 -1.25 -3.28 114.28 107.71 2jnd n THR 69 Ca 0.00 -0.31 -0.43 0.00 -2.04 0.00 0.00 64.05 61.27 2jnd n THR 69 Cb 0.00 -2.44 -0.07 0.00 -1.82 0.00 0.00 70.33 65.99 2jnd n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jnd s TRP 71 N 2.55 3.52 0.95 0.00 0.52 0.48 -4.92 118.94 122.06 2jnd s TRP 71 Ca 0.18 0.67 -0.15 0.00 0.02 0.00 0.00 56.10 56.81 2jnd s TRP 71 Cb -0.16 -2.30 0.21 0.00 -1.15 0.00 0.00 33.47 30.07 2jnd s TRP 71 CO 0.16 0.36 1.31 -1.25 0.02 0.00 0.00 176.95 177.54 2jnd s PRO 72 N 0.04 0.59 -0.25 4.98 0.04 -1.26 0.18 135.00 139.33 2jnd s PRO 72 Ca 0.18 -0.56 -0.28 0.00 0.04 0.00 0.00 61.00 60.37 2jnd s PRO 72 Cb -0.14 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2jnd s PRO 72 CO 0.06 -2.41 1.93 -1.14 0.04 0.00 0.00 177.00 175.48 2jnd s GLN 73 N -5.85 3.39 0.00 4.56 0.74 -1.24 -4.15 119.66 117.11 2jnd s GLN 73 Ca 0.75 1.76 0.00 0.00 0.05 0.00 0.00 55.36 57.92 2jnd s GLN 73 Cb -0.03 -4.23 0.00 0.00 1.10 0.00 0.00 33.01 29.85 2jnd s GLN 73 CO 0.53 -1.80 0.00 0.45 -0.55 0.00 0.00 175.29 173.92 2jnd n SER 74 N 10.31 1.50 -3.60 6.67 2.88 0.53 -4.87 113.62 127.05 2jnd n SER 74 Ca 0.25 -0.14 -0.16 0.00 -1.33 0.00 0.00 58.87 57.49 2jnd n SER 74 Cb 0.45 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.85 2jnd n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jnd s ALA 75 N -2.00 -1.40 0.09 -1.46 0.00 -1.26 0.18 121.76 115.91 2jnd s ALA 75 Ca 0.00 0.87 -0.35 0.00 0.00 0.00 0.00 51.96 52.47 2jnd s ALA 75 Cb 0.00 0.13 -0.18 0.00 0.00 0.00 0.00 23.12 23.06 2jnd s ALA 75 CO 0.00 -0.38 0.96 -0.35 0.00 0.00 0.00 175.76 175.99 2jnd n PRO 76 N 0.86 0.29 0.00 0.00 -0.04 -1.26 -0.96 135.00 133.90 2jnd n PRO 76 Ca -0.19 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 2jnd n PRO 76 Cb 0.58 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 2jnd n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jnd n GLY 77 N 1.79 3.10 3.73 0.55 0.00 0.27 -4.87 105.19 109.76 2jnd n GLY 77 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2jnd n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jnd s ALA 78 N -1.55 3.31 -0.38 4.61 0.00 -0.13 -4.66 121.76 122.96 2jnd s ALA 78 Ca 0.00 0.35 -0.17 0.00 0.00 0.00 0.00 51.96 52.14 2jnd s ALA 78 Cb 0.00 -3.08 0.01 0.00 0.00 0.00 0.00 23.12 20.04 2jnd s ALA 78 CO 0.00 -0.01 0.42 -1.17 0.00 0.00 0.00 175.76 175.00 2jnd s LEU 79 N 0.21 4.63 0.01 0.00 0.20 -1.26 0.56 118.68 123.03 2jnd s LEU 79 Ca 0.42 -0.42 -0.18 0.00 0.69 0.00 0.00 54.13 54.64 2jnd s LEU 79 Cb -0.21 -2.40 -0.06 0.00 -0.43 0.00 0.00 46.19 43.10 2jnd s LEU 79 CO 0.24 -0.48 0.51 0.54 -0.29 0.00 0.00 176.35 176.88 2jnd s VAL 80 N 2.14 4.92 -0.05 1.68 0.11 0.43 -4.77 120.40 124.86 2jnd s VAL 80 Ca 0.13 1.08 0.04 0.00 -2.93 0.00 0.00 61.98 60.30 2jnd s VAL 80 Cb -0.17 -3.84 -0.02 0.00 -1.53 0.00 0.00 36.38 30.82 2jnd s VAL 80 CO 0.13 0.50 -0.17 -1.83 -3.33 0.00 0.00 175.10 170.40 2jnd s GLU 81 N -0.66 2.46 0.07 1.54 1.03 -1.26 0.89 118.70 122.77 2jnd s GLU 81 Ca 0.27 -0.75 -0.10 0.00 0.03 0.00 0.00 54.97 54.43 2jnd s GLU 81 Cb -0.18 -2.31 0.00 0.00 -0.80 0.00 0.00 34.13 30.84 2jnd s GLU 81 CO 0.16 0.59 0.21 1.03 -1.33 0.00 0.00 175.26 175.92 2jnd s ARG 82 N -0.65 0.82 0.13 -4.83 0.52 -1.20 -4.88 118.95 108.86 2jnd s ARG 82 Ca 0.10 -0.82 -0.31 0.00 -0.52 0.00 0.00 55.73 54.17 2jnd s ARG 82 Cb -0.11 0.34 -0.09 0.00 0.52 0.00 0.00 34.95 35.61 2jnd s ARG 82 CO 0.00 -0.26 1.52 -1.25 0.02 0.00 0.00 175.30 175.33 2jnd s PRO 83 N -3.43 4.25 -0.35 3.54 0.04 -1.26 0.58 135.00 138.37 2jnd s PRO 83 Ca 0.01 2.25 -0.29 0.00 0.04 0.00 0.00 61.00 63.02 2jnd s PRO 83 Cb 0.03 -3.26 0.02 0.00 0.04 0.00 0.00 34.50 31.32 2jnd s PRO 83 CO -0.09 -0.57 1.13 0.00 0.04 0.00 0.00 177.00 177.52 2jnd n PRO 85 N 7.17 0.93 0.18 0.00 -0.04 -1.26 -4.60 135.00 137.38 2jnd n PRO 85 Ca 0.13 -1.53 0.06 0.00 -0.04 0.00 0.00 63.50 62.12 2jnd n PRO 85 Cb 0.47 -2.77 0.27 0.00 -0.04 0.00 0.00 33.50 31.44 2jnd n PRO 85 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2jnd h GLU 86 N 8.70 0.00 -5.63 0.54 4.81 -1.97 -3.42 114.58 117.61 2jnd h GLU 86 Ca 0.36 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.96 2jnd h GLU 86 Cb 0.68 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.93 2jnd h GLU 86 CO 1.99 0.38 0.26 0.71 -0.73 0.00 0.00 179.01 181.62 2jnd s TYR 87 N -3.42 3.07 -0.31 0.92 2.02 -1.26 -4.92 117.35 113.45 2jnd s TYR 87 Ca 0.01 0.23 0.13 0.00 -0.37 0.00 0.00 57.07 57.07 2jnd s TYR 87 Cb 0.10 -3.42 0.47 0.00 -0.40 0.00 0.00 41.96 38.70 2jnd s TYR 87 CO 0.69 -0.83 1.12 1.19 -1.57 0.00 0.00 175.55 176.15 2jnd n PHE 88 N 6.41 2.21 0.00 2.71 3.72 -1.26 -4.93 117.46 126.31 2jnd n PHE 88 Ca 0.01 -2.43 0.00 0.00 -0.05 0.00 0.00 57.45 54.98 2jnd n PHE 88 Cb 0.48 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 2jnd n PHE 88 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2jnd n ASN 89 N -0.55 0.00 -0.53 4.37 2.85 -1.26 -5.01 115.26 115.13 2jnd n ASN 89 Ca 0.27 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.74 2jnd n ASN 89 Cb 0.85 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.86 2jnd n ASN 89 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jnd n GLY 90 N 0.00 -0.48 3.44 8.20 0.00 -1.26 -5.16 105.19 109.93 2jnd n GLY 90 Ca 0.00 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2jnd n GLY 90 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jnd s ILE 91 N 0.00 2.48 0.16 -0.61 2.07 -1.26 -5.02 121.20 119.01 2jnd s ILE 91 Ca 0.00 -1.86 0.00 0.00 -1.41 0.00 0.00 60.65 57.38 2jnd s ILE 91 Cb 0.00 -2.16 0.00 0.00 0.13 0.00 0.00 42.46 40.43 2jnd s ILE 91 CO -0.00 -0.03 0.00 0.29 -1.91 0.00 0.00 174.94 173.29 2jnd n LYS 92 N 0.48 -2.42 -2.68 3.50 5.02 -1.26 -4.57 118.16 116.23 2jnd n LYS 92 Ca -0.14 1.80 -0.08 0.00 -2.02 0.00 0.00 58.31 57.87 2jnd n LYS 92 Cb 0.55 -1.90 0.06 0.00 -0.02 0.00 0.00 35.03 33.71 2jnd n LYS 92 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2jnd n TYR 93 N 0.16 0.14 0.00 2.13 4.02 -1.26 -4.85 117.16 117.51 2jnd n TYR 93 Ca 0.00 -2.51 0.00 0.00 -0.01 0.00 0.00 57.90 55.38 2jnd n TYR 93 Cb 0.00 0.19 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 2jnd n TYR 93 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2jnd n ASN 94 N -0.26 0.00 -3.96 7.72 5.15 -1.26 -4.75 115.26 117.90 2jnd n ASN 94 Ca 0.05 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.72 2jnd n ASN 94 Cb 0.83 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 40.09 2jnd n ASN 94 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 2jnd n THR 95 N -0.05 -1.68 -0.64 -0.44 5.66 0.65 -4.70 114.28 113.08 2jnd n THR 95 Ca 0.00 -0.39 -0.13 0.00 -3.05 0.00 0.00 64.05 60.47 2jnd n THR 95 Cb 0.00 -1.43 -0.06 0.00 -1.55 0.00 0.00 70.33 67.29 2jnd n THR 95 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 2jnd n THR 96 N -3.71 2.02 -3.54 1.09 -1.04 -1.26 -4.67 114.28 103.18 2jnd n THR 96 Ca -0.08 -1.11 -0.03 0.00 -2.04 0.00 0.00 64.05 60.79 2jnd n THR 96 Cb 0.38 -1.94 -0.00 0.00 -1.82 0.00 0.00 70.33 66.95 2jnd n THR 96 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2jnd n ARG 97 N 3.37 0.15 -4.19 -2.82 3.00 -1.26 -5.02 116.66 109.89 2jnd n ARG 97 Ca 0.33 -0.51 -0.15 0.00 -0.01 0.00 0.00 57.85 57.51 2jnd n ARG 97 Cb 0.35 0.52 -0.08 0.00 0.00 0.00 0.00 32.46 33.25 2jnd n ARG 97 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 2jnd s ASN 98 N -1.41 0.85 0.47 0.55 2.47 -1.26 -4.66 114.94 111.95 2jnd s ASN 98 Ca 0.05 -1.51 0.01 0.00 0.42 0.00 0.00 52.86 51.83 2jnd s ASN 98 Cb -0.00 0.52 0.01 0.00 -1.45 0.00 0.00 41.25 40.32 2jnd s ASN 98 CO 0.04 -1.04 0.68 0.00 -3.72 0.00 0.00 177.10 173.06 2jnd s ALA 99 N -3.67 3.88 -0.14 1.71 0.00 0.20 -4.85 121.76 118.88 2jnd s ALA 99 Ca 0.37 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 2jnd s ALA 99 Cb 0.03 -2.06 0.04 0.00 0.00 0.00 0.00 23.12 21.14 2jnd s ALA 99 CO 0.19 -0.47 -0.01 0.71 0.00 0.00 0.00 175.76 176.18 2jnd s TYR 100 N -2.58 1.17 -0.27 0.00 1.51 -1.26 -3.24 117.35 112.68 2jnd s TYR 100 Ca 0.51 -0.70 -0.01 0.00 -1.01 0.00 0.00 57.07 55.86 2jnd s TYR 100 Cb -0.10 -1.07 0.08 0.00 -0.11 0.00 0.00 41.96 40.77 2jnd s TYR 100 CO 0.37 -0.52 0.05 0.50 -1.11 0.00 0.00 175.55 174.84 2jnd s ARG 101 N 1.81 0.95 0.01 -0.62 3.52 0.26 -3.93 118.95 120.95 2jnd s ARG 101 Ca 0.02 -0.97 -0.25 0.00 -0.13 0.00 0.00 55.73 54.40 2jnd s ARG 101 Cb -0.15 -2.24 -0.05 0.00 -1.56 0.00 0.00 34.95 30.96 2jnd s ARG 101 CO -0.07 -0.82 0.75 -2.00 -0.81 0.00 0.00 175.30 172.35 2jnd s GLU 102 N 1.57 4.47 0.11 5.12 2.12 -1.26 0.16 118.70 130.99 2jnd s GLU 102 Ca 0.04 1.01 -0.30 0.00 0.36 0.00 0.00 54.97 56.08 2jnd s GLU 102 Cb -0.18 -3.39 -0.07 0.00 0.26 0.00 0.00 34.13 30.76 2jnd s GLU 102 CO -0.16 0.22 1.22 0.00 -0.54 0.00 0.00 175.26 176.00 2jnd s LEU 104 N 0.63 4.35 0.35 0.00 1.43 0.22 0.95 118.68 126.61 2jnd s LEU 104 Ca 0.58 2.93 0.11 0.00 -1.03 0.00 0.00 54.13 56.71 2jnd s LEU 104 Cb -0.32 -3.63 0.87 0.00 0.03 0.00 0.00 46.19 43.15 2jnd s LEU 104 CO 0.32 -0.91 1.81 -0.08 0.23 0.00 0.00 176.35 177.72 2jnd h GLU 105 N 4.92 0.61 0.00 1.70 4.81 -1.89 0.23 114.58 124.96 2jnd h GLU 105 Ca -0.47 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2jnd h GLU 105 Cb 1.22 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.46 2jnd h GLU 105 CO 0.80 0.40 0.11 -0.91 -0.73 0.00 0.00 179.01 178.69 2jnd h ASN 106 N 0.63 0.00 0.00 1.04 2.35 -1.98 -3.45 115.58 114.17 2jnd h ASN 106 Ca 0.53 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.28 2jnd h ASN 106 Cb 1.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.37 2jnd h ASN 106 CO -0.29 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.10 2jnd n GLY 107 N -1.20 1.12 0.00 2.83 0.00 0.79 -4.99 105.19 103.73 2jnd n GLY 107 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2jnd n GLY 107 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2jnd n THR 108 N -0.06 0.00 -3.43 2.61 5.66 -0.97 -4.31 114.28 113.78 2jnd n THR 108 Ca 0.00 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.74 2jnd n THR 108 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 2jnd n THR 108 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 2jnd s TRP 109 N -4.10 3.49 0.28 1.09 0.52 -1.26 0.71 118.94 119.67 2jnd s TRP 109 Ca 0.00 0.42 -0.29 0.00 0.02 0.00 0.00 56.10 56.25 2jnd s TRP 109 Cb 0.00 -1.94 -0.09 0.00 -1.15 0.00 0.00 33.47 30.29 2jnd s TRP 109 CO 0.00 0.18 1.02 0.00 0.02 0.00 0.00 176.95 178.17 2jnd s ALA 110 N -2.18 3.34 0.21 0.98 0.00 -1.25 -4.54 121.76 118.33 2jnd s ALA 110 Ca 0.41 0.75 -0.13 0.00 0.00 0.00 0.00 51.96 52.99 2jnd s ALA 110 Cb -0.10 -3.27 0.26 0.00 0.00 0.00 0.00 23.12 20.01 2jnd s ALA 110 CO 0.33 0.00 1.63 0.77 0.00 0.00 0.00 175.76 178.50 2jnd h SER 111 N 3.80 -0.51 -4.42 0.00 0.02 -1.98 -3.44 113.55 107.01 2jnd h SER 111 Ca -0.46 0.18 -0.45 0.00 -0.84 0.00 0.00 61.79 60.22 2jnd h SER 111 Cb 1.21 0.36 -0.10 0.00 0.14 0.00 0.00 62.40 64.01 2jnd h SER 111 CO 0.67 -0.19 -0.37 -2.11 -1.14 0.00 0.00 176.83 173.68 2jnd n ARG 112 N -5.40 0.66 -5.05 3.45 1.85 -1.26 -5.16 116.66 105.75 2jnd n ARG 112 Ca 0.08 -2.78 -0.29 0.00 -1.00 0.00 0.00 57.85 53.86 2jnd n ARG 112 Cb 0.34 1.48 -0.17 0.00 -1.05 0.00 0.00 32.46 33.07 2jnd n ARG 112 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2jnd s VAL 113 N -2.77 1.77 -1.03 8.89 1.01 -1.26 -4.97 120.40 122.05 2jnd s VAL 113 Ca 0.16 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 61.07 2jnd s VAL 113 Cb 0.01 -1.53 -0.08 0.00 0.00 0.00 0.00 36.38 34.77 2jnd s VAL 113 CO 0.11 0.50 2.05 0.59 0.00 0.00 0.00 175.10 178.35 2jnd n ASN 114 N 3.30 3.08 -2.40 3.32 3.02 -1.25 -4.78 115.26 119.54 2jnd n ASN 114 Ca -0.19 -2.73 -0.18 0.00 -0.03 0.00 0.00 54.58 51.45 2jnd n ASN 114 Cb 0.52 -1.31 -0.12 0.00 -0.61 0.00 0.00 39.78 38.26 2jnd n ASN 114 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2jnd n TYR 115 N 6.91 0.64 -1.53 3.10 4.01 -1.26 -4.53 117.16 124.50 2jnd n TYR 115 Ca 0.51 -1.82 -0.32 0.00 -0.16 0.00 0.00 57.90 56.11 2jnd n TYR 115 Cb 0.39 -1.75 0.03 0.00 -0.31 0.00 0.00 39.34 37.70 2jnd n TYR 115 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2jnd n SER 116 N 2.87 7.18 0.00 7.72 2.88 -1.26 -4.87 113.62 128.14 2jnd n SER 116 Ca 0.49 -3.57 0.00 0.00 -1.33 0.00 0.00 58.87 54.46 2jnd n SER 116 Cb 0.66 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 2jnd n SER 116 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2jnd n HIS 117 N -0.17 0.00 -1.93 0.66 -0.00 -1.26 -5.08 115.22 107.44 2jnd n HIS 117 Ca 0.52 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 58.22 2jnd n HIS 117 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.46 2jnd n HIS 117 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2jnd s GLU 119 N -1.18 3.34 0.61 0.00 -1.05 -1.26 -4.82 118.70 114.33 2jnd s GLU 119 Ca 0.05 -0.26 -0.17 0.00 -0.15 0.00 0.00 54.97 54.45 2jnd s GLU 119 Cb -0.01 -3.99 -0.03 0.00 -0.44 0.00 0.00 34.13 29.66 2jnd s GLU 119 CO 0.25 -1.22 1.12 -2.14 0.95 0.00 0.00 175.26 174.22 2jnd s PRO 120 N 3.35 3.04 0.00 -4.83 0.02 -1.26 0.24 135.00 135.56 2jnd s PRO 120 Ca 0.28 1.48 0.00 0.00 0.02 0.00 0.00 61.00 62.78 2jnd s PRO 120 Cb -0.13 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.41 2jnd s PRO 120 CO 0.20 -1.07 0.00 0.44 -0.33 0.00 0.00 177.00 176.24 2jnd n ILE 121 N -1.93 0.00 1.34 2.83 -0.00 -1.26 -4.79 119.36 115.55 2jnd n ILE 121 Ca 0.11 0.00 0.11 0.00 -0.00 0.00 0.00 62.75 62.97 2jnd n ILE 121 Cb 0.52 0.00 0.63 0.00 -0.00 0.00 0.00 39.64 40.79 2jnd n ILE 121 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55