#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 -2.58 0.00 -3.01 0.00 8.25 -1.26 -5.08 115.22 111.54 2jnd n HIS 46 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2jnd n HIS 46 Cb 0.66 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.77 2jnd n HIS 46 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2jnd n ARG 47 N -1.09 0.00 -0.93 -0.41 1.74 -1.26 -5.13 116.66 109.58 2jnd n ARG 47 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2jnd n ARG 47 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2jnd n ARG 47 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2jnd n THR 48 N 0.00 -1.24 -3.35 0.55 -1.04 -1.26 -4.82 114.28 103.13 2jnd n THR 48 Ca 0.00 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.81 2jnd n THR 48 Cb 0.00 -2.47 0.01 0.00 -1.82 0.00 0.00 70.33 66.05 2jnd n THR 48 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2jnd n THR 49 N -0.23 -6.70 0.00 12.58 -1.04 -1.26 -4.97 114.28 112.66 2jnd n THR 49 Ca 0.00 0.15 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 2jnd n THR 49 Cb 0.00 -4.94 0.00 0.00 -1.82 0.00 0.00 70.33 63.57 2jnd n THR 49 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2jnd n ILE 50 N -1.28 0.00 0.00 12.58 2.08 -1.26 -5.06 119.36 126.42 2jnd n ILE 50 Ca -0.09 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.22 2jnd n ILE 50 Cb 0.60 -0.50 0.00 0.00 -0.75 0.00 0.00 39.64 38.99 2jnd n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2jnd n GLY 51 N 2.11 1.97 1.02 7.39 0.00 -1.26 -4.97 105.19 111.46 2jnd n GLY 51 Ca 0.00 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 45.97 2jnd n GLY 51 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jnd n ASN 52 N 3.84 -6.03 -4.46 1.61 4.13 -1.26 -5.00 115.26 108.10 2jnd n ASN 52 Ca 0.00 0.41 -0.24 0.00 1.68 0.00 0.00 54.58 56.42 2jnd n ASN 52 Cb 0.00 -3.07 -0.10 0.00 -1.54 0.00 0.00 39.78 35.07 2jnd n ASN 52 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2jnd s PHE 53 N -1.87 2.04 -0.37 3.10 0.08 -1.26 -5.12 117.98 114.57 2jnd s PHE 53 Ca 0.00 -0.95 -0.03 0.00 0.12 0.00 0.00 56.93 56.06 2jnd s PHE 53 Cb 0.00 -1.39 0.23 0.00 -0.57 0.00 0.00 43.02 41.29 2jnd s PHE 53 CO 0.00 0.06 1.07 0.45 -0.10 0.00 0.00 175.22 176.71 2jnd n SER 54 N -0.87 -1.76 -4.77 1.36 2.88 -1.26 -4.97 113.62 104.24 2jnd n SER 54 Ca -0.05 -1.50 -0.37 0.00 -1.33 0.00 0.00 58.87 55.62 2jnd n SER 54 Cb 0.66 0.92 -0.06 0.00 -0.75 0.00 0.00 64.21 64.98 2jnd n SER 54 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2jnd s GLY 55 N 0.56 2.36 0.11 0.46 0.00 -1.26 -5.00 107.32 104.55 2jnd s GLY 55 Ca 0.25 -0.29 -0.16 0.00 0.00 0.00 0.00 44.72 44.52 2jnd s GLY 55 CO -0.10 0.42 1.56 -0.56 0.00 0.00 0.00 173.10 174.42 2jnd h PRO 56 N 5.95 0.58 -6.76 2.90 0.13 -1.99 -3.41 132.00 129.39 2jnd h PRO 56 Ca -0.45 -0.18 -0.69 0.00 -0.87 0.00 0.00 66.00 63.81 2jnd h PRO 56 Cb 1.19 -0.06 -0.24 0.00 0.13 0.00 0.00 31.00 32.02 2jnd h PRO 56 CO 0.70 0.70 -0.86 1.52 -0.23 0.00 0.00 178.00 179.82 2jnd s TYR 57 N -5.04 2.36 -1.00 1.56 -0.85 -1.26 -4.84 117.35 108.28 2jnd s TYR 57 Ca -0.13 -0.38 -0.15 0.00 -0.52 0.00 0.00 57.07 55.89 2jnd s TYR 57 Cb 0.09 -1.36 0.02 0.00 0.38 0.00 0.00 41.96 41.08 2jnd s TYR 57 CO 0.77 0.21 0.65 0.25 -1.52 0.00 0.00 175.55 175.91 2jnd n THR 58 N 1.49 -3.56 -3.66 -3.49 -2.24 -1.23 -4.99 114.28 96.60 2jnd n THR 58 Ca -0.17 -0.32 -0.15 0.00 -2.27 0.00 0.00 64.05 61.14 2jnd n THR 58 Cb 0.52 -2.95 -0.08 0.00 -2.10 0.00 0.00 70.33 65.73 2jnd n THR 58 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2jnd s TYR 59 N -3.23 -0.44 0.03 4.78 2.02 -1.26 -4.45 117.35 114.81 2jnd s TYR 59 Ca 0.23 0.81 0.05 0.00 -0.37 0.00 0.00 57.07 57.79 2jnd s TYR 59 Cb -0.12 0.24 -0.02 0.00 -0.40 0.00 0.00 41.96 41.66 2jnd s TYR 59 CO 0.92 -0.45 -0.15 0.00 -1.57 0.00 0.00 175.55 174.30 2jnd n ASN 61 N 2.01 0.23 -4.64 0.00 0.23 -1.26 -0.28 115.26 111.55 2jnd n ASN 61 Ca -0.17 -2.86 -0.53 0.00 -0.53 0.00 0.00 54.58 50.48 2jnd n ASN 61 Cb 0.55 1.17 -0.06 0.00 -2.08 0.00 0.00 39.78 39.35 2jnd n ASN 61 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2jnd n THR 62 N -0.66 0.37 -4.93 5.53 -2.24 -1.23 -4.35 114.28 106.77 2jnd n THR 62 Ca 0.01 -0.12 -0.27 0.00 -2.27 0.00 0.00 64.05 61.41 2jnd n THR 62 Cb 0.52 -1.52 -0.16 0.00 -2.10 0.00 0.00 70.33 67.07 2jnd n THR 62 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2jnd s THR 63 N 4.62 1.55 0.57 4.28 2.01 0.34 -4.93 115.64 124.08 2jnd s THR 63 Ca 0.99 -0.80 0.03 0.00 0.31 0.00 0.00 61.69 62.22 2jnd s THR 63 Cb -0.91 -1.31 0.06 0.00 0.01 0.00 0.00 72.50 70.35 2jnd s THR 63 CO 0.58 0.44 0.79 -0.22 -0.69 0.00 0.00 174.62 175.52 2jnd s LEU 64 N -0.18 3.24 0.12 4.42 2.96 -1.26 0.14 118.68 128.13 2jnd s LEU 64 Ca 0.01 -0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 53.60 2jnd s LEU 64 Cb -0.10 -2.45 -0.03 0.00 0.50 0.00 0.00 46.19 44.11 2jnd s LEU 64 CO 0.01 -1.28 0.12 -1.81 -1.32 0.00 0.00 176.35 172.07 2jnd s ASP 65 N -4.52 0.25 0.22 3.68 1.01 -0.99 -4.87 116.67 111.45 2jnd s ASP 65 Ca 0.60 -1.04 -0.08 0.00 0.71 0.00 0.00 52.55 52.74 2jnd s ASP 65 Cb -0.08 0.32 0.29 0.00 1.01 0.00 0.00 42.92 44.46 2jnd s ASP 65 CO 0.39 -0.75 1.80 -0.61 0.21 0.00 0.00 175.17 176.20 2jnd h GLN 66 N 2.81 0.64 -0.00 8.23 -0.00 -2.01 -0.06 115.11 124.73 2jnd h GLN 66 Ca -0.34 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.27 2jnd h GLN 66 Cb 1.20 -0.15 0.00 0.00 0.00 0.00 0.00 27.48 28.53 2jnd h GLN 66 CO 0.57 0.43 -0.00 -0.89 0.00 0.00 0.00 178.83 178.93 2jnd n ILE 67 N -4.81 0.00 -0.91 2.39 5.41 -1.26 -4.88 119.36 115.30 2jnd n ILE 67 Ca 0.10 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.84 2jnd n ILE 67 Cb 0.22 -0.47 0.00 0.00 -0.71 0.00 0.00 39.64 38.68 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 1.04 0.95 3.59 7.39 0.00 -0.04 -5.03 105.19 113.09 2jnd n GLY 68 Ca 0.23 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 2jnd n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jnd s THR 69 N -2.00 4.36 -0.47 2.61 2.01 -1.26 -4.78 115.64 116.12 2jnd s THR 69 Ca 0.00 1.02 -0.23 0.00 0.31 0.00 0.00 61.69 62.79 2jnd s THR 69 Cb 0.00 -4.50 0.03 0.00 0.01 0.00 0.00 72.50 68.04 2jnd s THR 69 CO 0.00 -0.88 0.77 0.00 -0.69 0.00 0.00 174.62 173.82 2jnd s TRP 71 N 3.26 3.07 1.41 0.00 0.52 0.38 -4.90 118.94 122.68 2jnd s TRP 71 Ca 0.28 -0.98 -0.22 0.00 0.02 0.00 0.00 56.10 55.20 2jnd s TRP 71 Cb -0.13 -3.87 0.36 0.00 -1.15 0.00 0.00 33.47 28.68 2jnd s TRP 71 CO 0.21 -1.19 0.92 -1.25 0.02 0.00 0.00 176.95 175.67 2jnd s PRO 72 N 2.41 -2.85 0.34 4.98 0.04 -1.26 0.13 135.00 138.78 2jnd s PRO 72 Ca 0.10 0.26 -0.28 0.00 0.04 0.00 0.00 61.00 61.12 2jnd s PRO 72 Cb -0.25 -1.38 -0.12 0.00 0.04 0.00 0.00 34.50 32.79 2jnd s PRO 72 CO 0.06 -4.85 1.23 0.94 0.04 0.00 0.00 177.00 174.42 2jnd n GLN 73 N -5.64 1.96 0.00 4.56 0.00 -1.26 -4.13 117.38 112.87 2jnd n GLN 73 Ca 0.11 0.69 0.00 0.00 -0.00 0.00 0.00 57.00 57.80 2jnd n GLN 73 Cb 0.59 -2.25 0.00 0.00 0.00 0.00 0.00 30.24 28.59 2jnd n GLN 73 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2jnd n SER 74 N 0.78 0.00 -3.92 1.69 7.64 0.62 -4.89 113.62 115.55 2jnd n SER 74 Ca 0.06 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.85 2jnd n SER 74 Cb 0.36 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.52 2jnd n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jnd s ALA 75 N -1.33 -0.66 0.42 -0.43 0.00 -1.26 -1.17 121.76 117.33 2jnd s ALA 75 Ca 0.00 -0.60 -0.26 0.00 0.00 0.00 0.00 51.96 51.11 2jnd s ALA 75 Cb 0.00 0.96 -0.09 0.00 0.00 0.00 0.00 23.12 24.00 2jnd s ALA 75 CO 0.00 -0.91 1.34 -1.25 0.00 0.00 0.00 175.76 174.94 2jnd s PRO 76 N -3.96 3.88 -0.60 0.00 0.04 -1.26 -3.13 135.00 129.98 2jnd s PRO 76 Ca 0.17 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.45 2jnd s PRO 76 Cb -0.02 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.79 2jnd s PRO 76 CO 0.07 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 176.92 2jnd n GLY 77 N 0.64 0.16 3.08 0.56 0.00 0.52 -4.92 105.19 105.23 2jnd n GLY 77 Ca 0.04 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.33 2.51 -0.82 4.61 0.00 -1.18 -4.95 121.76 119.60 2jnd s ALA 78 Ca 0.00 -1.67 -0.25 0.00 0.00 0.00 0.00 51.96 50.04 2jnd s ALA 78 Cb 0.00 -1.52 0.02 0.00 0.00 0.00 0.00 23.12 21.62 2jnd s ALA 78 CO 0.00 -1.06 1.52 -1.17 0.00 0.00 0.00 175.76 175.05 2jnd s LEU 79 N 1.14 3.28 -0.47 0.00 0.20 -1.26 -1.15 118.68 120.43 2jnd s LEU 79 Ca -0.07 -0.63 -0.21 0.00 0.69 0.00 0.00 54.13 53.91 2jnd s LEU 79 Cb -0.19 -2.56 0.03 0.00 -0.43 0.00 0.00 46.19 43.05 2jnd s LEU 79 CO -0.06 -1.96 0.69 -0.69 -0.29 0.00 0.00 176.35 174.04 2jnd s VAL 80 N 6.67 4.76 0.35 1.68 1.01 -0.64 -4.91 120.40 129.32 2jnd s VAL 80 Ca 0.48 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.53 2jnd s VAL 80 Cb -0.06 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 2jnd s VAL 80 CO 0.07 -0.71 0.55 -1.83 0.00 0.00 0.00 175.10 173.17 2jnd s GLU 81 N 2.98 3.47 -0.27 2.72 -1.05 -1.26 -2.03 118.70 123.26 2jnd s GLU 81 Ca 0.23 -0.35 -0.23 0.00 -0.15 0.00 0.00 54.97 54.48 2jnd s GLU 81 Cb -0.15 -2.66 0.08 0.00 -0.44 0.00 0.00 34.13 30.96 2jnd s GLU 81 CO 0.18 0.14 0.72 0.50 0.95 0.00 0.00 175.26 177.76 2jnd s ARG 82 N -4.32 0.79 0.31 -4.83 6.06 -0.86 -4.97 118.95 111.13 2jnd s ARG 82 Ca 0.40 1.05 -0.30 0.00 -2.50 0.00 0.00 55.73 54.38 2jnd s ARG 82 Cb -0.10 0.33 -0.11 0.00 0.06 0.00 0.00 34.95 35.13 2jnd s ARG 82 CO 0.36 -0.11 1.58 -0.35 -2.50 0.00 0.00 175.30 174.28 2jnd n PRO 83 N 3.12 2.73 -1.75 5.12 -0.04 -1.26 -0.93 135.00 141.99 2jnd n PRO 83 Ca -0.16 0.97 -0.42 0.00 -0.04 0.00 0.00 63.50 63.85 2jnd n PRO 83 Cb 0.56 -2.74 -0.03 0.00 -0.04 0.00 0.00 33.50 31.25 2jnd n PRO 83 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jnd n PRO 85 N 7.83 2.21 0.01 0.00 -0.04 -1.26 -4.38 135.00 139.37 2jnd n PRO 85 Ca 0.22 -1.51 0.13 0.00 -0.04 0.00 0.00 63.50 62.30 2jnd n PRO 85 Cb 0.43 -2.47 0.41 0.00 -0.04 0.00 0.00 33.50 31.82 2jnd n PRO 85 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2jnd n GLU 86 N 4.14 0.02 -0.93 0.54 4.07 -1.26 -4.18 120.64 123.04 2jnd n GLU 86 Ca 0.47 0.01 -0.12 0.00 -0.06 0.00 0.00 57.16 57.46 2jnd n GLU 86 Cb 0.14 -1.52 -0.06 0.00 -0.06 0.00 0.00 31.44 29.94 2jnd n GLU 86 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2jnd n TYR 87 N -1.56 0.61 -1.60 4.31 4.02 -1.26 -4.27 117.16 117.41 2jnd n TYR 87 Ca 0.06 -1.53 -0.11 0.00 -0.01 0.00 0.00 57.90 56.30 2jnd n TYR 87 Cb 0.35 -1.11 0.15 0.00 -0.02 0.00 0.00 39.34 38.70 2jnd n TYR 87 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 176.86 177.82 2jnd n PHE 88 N 1.47 1.59 0.00 -0.72 -1.74 -1.26 -4.66 117.46 112.14 2jnd n PHE 88 Ca 0.29 -1.90 0.00 0.00 -0.56 0.00 0.00 57.45 55.28 2jnd n PHE 88 Cb 0.66 -0.53 0.00 0.00 1.52 0.00 0.00 39.48 41.13 2jnd n PHE 88 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 2jnd n ASN 89 N -1.01 0.00 0.00 5.98 5.03 -1.26 -5.06 115.26 118.94 2jnd n ASN 89 Ca 0.37 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.82 2jnd n ASN 89 Cb 0.95 0.17 0.00 0.00 -1.02 0.00 0.00 39.78 39.87 2jnd n ASN 89 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jnd n GLY 90 N -1.31 0.44 3.27 7.41 0.00 -1.26 -5.17 105.19 108.58 2jnd n GLY 90 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2jnd n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jnd s ILE 91 N -0.83 1.32 0.04 -0.61 -1.09 -1.26 -5.08 121.20 113.70 2jnd s ILE 91 Ca 0.00 -2.07 0.00 0.00 -2.23 0.00 0.00 60.65 56.35 2jnd s ILE 91 Cb 0.00 -1.87 0.00 0.00 -1.58 0.00 0.00 42.46 39.01 2jnd s ILE 91 CO 0.00 -0.68 0.00 1.17 -1.23 0.00 0.00 174.94 174.20 2jnd n LYS 92 N -0.18 -0.39 0.04 2.79 3.00 -1.26 -4.43 118.16 117.73 2jnd n LYS 92 Ca -0.10 0.29 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 2jnd n LYS 92 Cb 0.60 -0.32 0.00 0.00 0.00 0.00 0.00 35.03 35.31 2jnd n LYS 92 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2jnd n TYR 93 N -0.92 -0.73 0.13 5.64 4.02 -1.26 -4.96 117.16 119.08 2jnd n TYR 93 Ca 0.00 0.13 -0.06 0.00 -0.01 0.00 0.00 57.90 57.96 2jnd n TYR 93 Cb 0.00 0.43 -0.03 0.00 -0.02 0.00 0.00 39.34 39.72 2jnd n TYR 93 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 176.86 174.88 2jnd h ASN 94 N 0.00 -0.32 -5.63 7.72 -0.73 -1.94 -3.49 115.58 111.19 2jnd h ASN 94 Ca 0.00 0.01 -0.12 0.00 1.87 0.00 0.00 56.30 58.06 2jnd h ASN 94 Cb 0.13 0.08 0.02 0.00 0.27 0.00 0.00 38.32 38.83 2jnd h ASN 94 CO 0.00 -0.05 -0.29 0.41 -0.37 0.00 0.00 177.43 177.13 2jnd n THR 95 N -3.98 -8.86 0.94 -3.57 -1.04 -1.26 -4.91 114.28 91.60 2jnd n THR 95 Ca -0.05 -0.34 0.04 0.00 -2.04 0.00 0.00 64.05 61.66 2jnd n THR 95 Cb 0.15 -6.17 0.13 0.00 -1.82 0.00 0.00 70.33 62.62 2jnd n THR 95 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2jnd n THR 96 N -2.15 0.51 -4.52 12.58 -1.04 -1.26 -4.90 114.28 113.50 2jnd n THR 96 Ca -0.06 -0.41 -0.25 0.00 -2.04 0.00 0.00 64.05 61.30 2jnd n THR 96 Cb 0.55 0.07 -0.10 0.00 -1.82 0.00 0.00 70.33 69.03 2jnd n THR 96 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2jnd s ARG 97 N -1.63 1.83 0.27 -2.82 0.52 -1.26 -5.17 118.95 110.69 2jnd s ARG 97 Ca 0.19 -2.07 0.02 0.00 -0.52 0.00 0.00 55.73 53.36 2jnd s ARG 97 Cb 0.11 -0.94 -0.04 0.00 0.52 0.00 0.00 34.95 34.60 2jnd s ARG 97 CO 0.11 -0.28 0.16 -0.80 0.02 0.00 0.00 175.30 174.51 2jnd s ASN 98 N -3.59 1.15 -0.08 0.23 -0.87 -1.26 -4.65 114.94 105.87 2jnd s ASN 98 Ca 0.29 -1.52 -0.13 0.00 -1.57 0.00 0.00 52.86 49.93 2jnd s ASN 98 Cb 0.06 0.38 -0.05 0.00 -0.02 0.00 0.00 41.25 41.62 2jnd s ASN 98 CO 0.14 -0.88 0.33 0.00 -2.57 0.00 0.00 177.10 174.12 2jnd s ALA 99 N -3.75 3.69 -0.31 0.60 0.00 -0.10 -4.71 121.76 117.18 2jnd s ALA 99 Ca 0.37 -0.36 -0.05 0.00 0.00 0.00 0.00 51.96 51.92 2jnd s ALA 99 Cb 0.06 -2.33 0.03 0.00 0.00 0.00 0.00 23.12 20.88 2jnd s ALA 99 CO 0.17 0.37 0.05 0.71 0.00 0.00 0.00 175.76 177.06 2jnd s TYR 100 N -0.52 3.20 -0.38 0.00 1.51 -1.24 -2.03 117.35 117.89 2jnd s TYR 100 Ca 0.20 -1.42 0.01 0.00 -1.01 0.00 0.00 57.07 54.85 2jnd s TYR 100 Cb -0.15 -2.21 0.12 0.00 -0.11 0.00 0.00 41.96 39.62 2jnd s TYR 100 CO 0.09 -0.71 0.18 0.50 -1.11 0.00 0.00 175.55 174.50 2jnd s ARG 101 N 1.39 1.00 0.15 -0.62 3.52 -0.86 -1.53 118.95 122.01 2jnd s ARG 101 Ca -0.01 -1.59 -0.17 0.00 -0.13 0.00 0.00 55.73 53.84 2jnd s ARG 101 Cb -0.19 -2.13 -0.07 0.00 -1.56 0.00 0.00 34.95 31.01 2jnd s ARG 101 CO 0.01 -1.10 0.60 -2.00 -0.81 0.00 0.00 175.30 172.00 2jnd s GLU 102 N 0.91 4.09 -0.18 5.12 2.12 -1.26 -1.62 118.70 127.88 2jnd s GLU 102 Ca 0.15 0.64 -0.24 0.00 0.36 0.00 0.00 54.97 55.87 2jnd s GLU 102 Cb -0.22 -2.97 -0.02 0.00 0.26 0.00 0.00 34.13 31.19 2jnd s GLU 102 CO -0.09 0.48 0.79 0.00 -0.54 0.00 0.00 175.26 175.90 2jnd n LEU 104 N 5.26 0.51 -0.07 0.00 4.77 0.24 -0.35 117.00 127.36 2jnd n LEU 104 Ca 0.03 0.42 -0.08 0.00 -0.03 0.00 0.00 56.01 56.36 2jnd n LEU 104 Cb 0.49 -1.24 0.10 0.00 -2.33 0.00 0.00 43.42 40.44 2jnd n LEU 104 CO 0.47 -3.31 0.68 -0.08 -1.33 0.00 0.00 177.39 173.82 2jnd h GLU 105 N -1.19 0.73 0.00 3.23 4.81 -1.91 -2.86 114.58 117.38 2jnd h GLU 105 Ca -0.44 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.48 2jnd h GLU 105 Cb 1.30 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.65 2jnd h GLU 105 CO 0.38 0.91 0.00 -0.97 -0.73 0.00 0.00 179.01 178.59 2jnd h ASN 106 N 0.63 0.00 0.00 1.04 -1.24 -1.99 -3.43 115.58 110.59 2jnd h ASN 106 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.09 2jnd h ASN 106 Cb 0.76 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.81 2jnd h ASN 106 CO 0.06 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.81 2jnd n GLY 107 N -1.03 0.97 3.30 1.57 0.00 -1.08 -3.57 105.19 105.36 2jnd n GLY 107 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 2jnd n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jnd s THR 108 N -1.91 0.09 0.62 2.61 -4.23 -1.25 -4.14 115.64 107.43 2jnd s THR 108 Ca 0.00 -1.05 -0.16 0.00 -1.18 0.00 0.00 61.69 59.30 2jnd s THR 108 Cb 0.00 -1.47 -0.02 0.00 1.34 0.00 0.00 72.50 72.35 2jnd s THR 108 CO 0.00 -0.41 1.09 0.26 -0.54 0.00 0.00 174.62 175.02 2jnd s TRP 109 N -3.88 2.77 0.79 3.99 0.52 -1.26 0.83 118.94 122.70 2jnd s TRP 109 Ca 0.08 1.54 -0.12 0.00 0.02 0.00 0.00 56.10 57.62 2jnd s TRP 109 Cb 0.03 -3.12 0.07 0.00 -1.15 0.00 0.00 33.47 29.30 2jnd s TRP 109 CO -0.07 -1.45 1.13 0.00 0.02 0.00 0.00 176.95 176.57 2jnd s ALA 110 N -2.31 2.05 0.30 0.98 0.00 -1.21 -4.66 121.76 116.91 2jnd s ALA 110 Ca 0.66 0.49 0.00 0.00 0.00 0.00 0.00 51.96 53.11 2jnd s ALA 110 Cb -0.19 -3.36 0.46 0.00 0.00 0.00 0.00 23.12 20.03 2jnd s ALA 110 CO 0.38 -1.99 1.86 0.77 0.00 0.00 0.00 175.76 176.77 2jnd h SER 111 N -1.05 0.72 -5.52 0.00 0.02 -1.95 -3.45 113.55 102.32 2jnd h SER 111 Ca -0.44 -0.12 -0.22 0.00 -0.84 0.00 0.00 61.79 60.18 2jnd h SER 111 Cb 1.25 -0.19 -0.15 0.00 0.14 0.00 0.00 62.40 63.46 2jnd h SER 111 CO 0.49 0.70 -0.63 -0.13 -1.14 0.00 0.00 176.83 176.12 2jnd s ARG 112 N -5.23 1.09 -0.04 3.45 3.00 -1.26 -5.16 118.95 114.79 2jnd s ARG 112 Ca -0.09 -1.55 0.01 0.00 0.00 0.00 0.00 55.73 54.10 2jnd s ARG 112 Cb 0.16 0.26 -0.03 0.00 0.00 0.00 0.00 34.95 35.33 2jnd s ARG 112 CO 0.79 -0.34 -0.03 0.08 0.00 0.00 0.00 175.30 175.80 2jnd s VAL 113 N -4.11 3.97 -1.13 3.52 1.01 -1.26 -4.91 120.40 117.48 2jnd s VAL 113 Ca 0.33 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.67 2jnd s VAL 113 Cb 0.07 -2.69 -0.07 0.00 0.00 0.00 0.00 36.38 33.69 2jnd s VAL 113 CO 0.08 0.51 2.25 0.59 0.00 0.00 0.00 175.10 178.52 2jnd n ASN 114 N 1.86 4.80 -0.41 3.32 3.02 -0.58 -4.58 115.26 122.69 2jnd n ASN 114 Ca -0.17 -2.58 0.03 0.00 -0.03 0.00 0.00 54.58 51.83 2jnd n ASN 114 Cb 0.53 -1.31 0.08 0.00 -0.61 0.00 0.00 39.78 38.47 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 5.38 0.28 0.11 3.10 4.02 -1.26 -3.70 117.16 125.09 2jnd n TYR 115 Ca 0.54 -0.13 -0.04 0.00 -0.01 0.00 0.00 57.90 58.27 2jnd n TYR 115 Cb 0.28 -0.03 0.07 0.00 -0.02 0.00 0.00 39.34 39.64 2jnd n TYR 115 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 2jnd h SER 116 N 1.01 0.04 0.31 7.72 0.02 -1.95 -3.06 113.55 117.65 2jnd h SER 116 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2jnd h SER 116 Cb 0.34 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2jnd h SER 116 CO 0.02 0.77 0.00 0.45 -1.14 0.00 0.00 176.83 176.93 2jnd h HIS 117 N 0.02 0.00 -3.35 3.45 -0.00 -1.85 -3.41 115.15 110.01 2jnd h HIS 117 Ca -0.01 0.00 -0.56 0.00 -0.00 0.00 0.00 60.37 59.80 2jnd h HIS 117 Cb 1.31 0.00 -0.07 0.00 -0.00 0.00 0.00 27.41 28.66 2jnd h HIS 117 CO 0.00 0.00 1.00 0.00 -0.00 0.00 0.00 177.93 178.93 2jnd s GLU 119 N 4.86 1.47 0.00 0.00 -1.05 -1.26 -5.10 118.70 117.61 2jnd s GLU 119 Ca 0.49 -1.82 0.00 0.00 -0.15 0.00 0.00 54.97 53.50 2jnd s GLU 119 Cb -0.09 0.28 0.00 0.00 -0.44 0.00 0.00 34.13 33.88 2jnd s GLU 119 CO 0.29 -0.51 0.00 -0.35 0.95 0.00 0.00 175.26 175.64 2jnd n PRO 120 N -0.44 1.59 -3.49 -4.83 -0.04 -1.26 -4.92 135.00 121.60 2jnd n PRO 120 Ca 0.04 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.22 2jnd n PRO 120 Cb 0.64 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.97 2jnd n PRO 120 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2jnd s ILE 121 N 0.00 0.03 0.00 0.52 -0.00 -1.26 -4.82 121.20 115.66 2jnd s ILE 121 Ca 0.00 -1.28 0.00 0.00 -0.00 0.00 0.00 60.65 59.37 2jnd s ILE 121 Cb 0.00 -1.04 0.00 0.00 -0.00 0.00 0.00 42.46 41.42 2jnd s ILE 121 CO 0.00 -0.86 0.00 -0.11 -0.00 0.00 0.00 174.94 173.97