#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 2.67 -2.28 -1.17 0.00 8.25 -1.26 -5.10 115.22 116.33 2jnd n HIS 46 Ca -0.18 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.31 2jnd n HIS 46 Cb 0.54 0.46 -0.01 0.00 1.12 0.00 0.00 29.99 32.09 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 -2.42 -0.42 0.00 -0.41 1.74 -1.26 -4.92 116.66 108.97 2jnd n ARG 47 Ca 0.00 0.28 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 2jnd n ARG 47 Cb 0.00 -0.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.93 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 -1.32 0.00 -2.37 0.55 -1.04 -1.26 -4.80 114.28 104.03 2jnd n THR 48 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2jnd n THR 48 Cb 0.10 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 2jnd n THR 48 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 2jnd n THR 49 N 0.00 0.00 -1.74 12.58 5.66 -1.26 -4.97 114.28 124.55 2jnd n THR 49 Ca 0.00 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.85 2jnd n THR 49 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 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 0.00 -0.26 -1.52 1.09 5.41 -1.26 -4.87 119.36 117.96 2jnd n ILE 50 Ca 0.00 0.00 -0.61 0.00 1.00 0.00 0.00 62.75 63.14 2jnd n ILE 50 Cb 0.00 -1.86 -0.10 0.00 -0.71 0.00 0.00 39.64 36.97 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 -1.05 0.19 0.00 7.39 0.00 -1.26 -4.94 105.19 105.52 2jnd n GLY 51 Ca -0.17 1.03 0.00 0.00 0.00 0.00 0.00 46.02 46.89 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 6.21 0.00 -4.82 1.61 4.13 -1.26 -5.07 115.26 116.05 2jnd n ASN 52 Ca 0.41 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 56.35 2jnd n ASN 52 Cb 0.01 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.27 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 3.54 3.17 0.00 3.10 0.08 -1.26 -5.04 117.98 121.58 2jnd s PHE 53 Ca 0.00 1.44 0.00 0.00 0.12 0.00 0.00 56.93 58.49 2jnd s PHE 53 Cb 0.00 -2.89 0.00 0.00 -0.57 0.00 0.00 43.02 39.56 2jnd s PHE 53 CO 0.00 -1.03 0.00 0.43 -0.10 0.00 0.00 175.22 174.52 2jnd n SER 54 N -2.57 0.00 0.00 1.36 7.64 -1.26 -4.94 113.62 113.85 2jnd n SER 54 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 2jnd n SER 54 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 2jnd n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jnd n GLY 55 N 0.00 1.34 3.68 0.23 0.00 -1.26 -5.13 105.19 104.05 2jnd n GLY 55 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2jnd n GLY 55 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jnd s PRO 56 N 1.85 -0.33 0.00 1.61 0.04 -1.26 -4.88 135.00 132.03 2jnd s PRO 56 Ca 0.00 0.06 -0.05 0.00 0.04 0.00 0.00 61.00 61.06 2jnd s PRO 56 Cb 0.00 -1.69 -0.21 0.00 0.04 0.00 0.00 34.50 32.64 2jnd s PRO 56 CO 0.00 -3.15 3.01 0.66 0.04 0.00 0.00 177.00 177.56 2jnd n TYR 57 N -4.38 0.00 -2.40 0.56 4.02 -1.26 -3.96 117.16 109.73 2jnd n TYR 57 Ca 0.11 -1.22 -0.01 0.00 -0.01 0.00 0.00 57.90 56.77 2jnd n TYR 57 Cb 0.59 -1.33 0.06 0.00 -0.02 0.00 0.00 39.34 38.64 2jnd n TYR 57 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2jnd n THR 58 N 2.51 1.08 -3.57 -0.72 -2.24 -1.24 -3.65 114.28 106.46 2jnd n THR 58 Ca 0.33 -2.38 -0.17 0.00 -2.27 0.00 0.00 64.05 59.56 2jnd n THR 58 Cb 0.74 0.62 -0.07 0.00 -2.10 0.00 0.00 70.33 69.53 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 -2.19 -0.57 0.00 4.78 2.02 -0.22 -4.19 117.35 116.98 2jnd s TYR 59 Ca 0.35 0.99 0.02 0.00 -0.37 0.00 0.00 57.07 58.05 2jnd s TYR 59 Cb 0.37 0.34 -0.03 0.00 -0.40 0.00 0.00 41.96 42.23 2jnd s TYR 59 CO -0.09 -0.56 -0.03 0.00 -1.57 0.00 0.00 175.55 173.31 2jnd s ASN 61 N -1.50 3.94 -0.25 0.00 2.20 -1.26 0.13 114.94 118.21 2jnd s ASN 61 Ca 0.18 -1.31 -0.39 0.00 -0.94 0.00 0.00 52.86 50.41 2jnd s ASN 61 Cb -0.11 -0.41 -0.15 0.00 -2.00 0.00 0.00 41.25 38.58 2jnd s ASN 61 CO 0.09 -0.43 1.80 0.35 -2.94 0.00 0.00 177.10 175.97 2jnd n THR 62 N -0.98 0.37 -4.33 0.54 -2.24 -1.23 -4.40 114.28 102.00 2jnd n THR 62 Ca -0.04 -0.07 -0.19 0.00 -2.27 0.00 0.00 64.05 61.47 2jnd n THR 62 Cb 0.66 -1.38 -0.10 0.00 -2.10 0.00 0.00 70.33 67.40 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 3.84 1.70 0.33 4.28 2.01 0.51 -4.91 115.64 123.40 2jnd s THR 63 Ca 0.98 -2.12 0.04 0.00 0.31 0.00 0.00 61.69 60.91 2jnd s THR 63 Cb -0.98 -1.96 0.06 0.00 0.01 0.00 0.00 72.50 69.62 2jnd s THR 63 CO 0.62 -0.54 0.45 -0.11 -0.69 0.00 0.00 174.62 174.36 2jnd n LEU 64 N -0.18 0.00 -3.87 4.42 7.94 -1.26 0.22 117.00 124.26 2jnd n LEU 64 Ca -0.10 -1.32 -0.09 0.00 -1.11 0.00 0.00 56.01 53.39 2jnd n LEU 64 Cb 0.59 -0.25 -0.08 0.00 0.53 0.00 0.00 43.42 44.22 2jnd n LEU 64 CO 0.33 -0.64 -0.12 -0.62 -1.11 0.00 0.00 177.39 175.24 2jnd s ASP 65 N -2.99 0.13 0.37 1.96 -1.08 -0.79 -4.73 116.67 109.53 2jnd s ASP 65 Ca 0.33 -0.61 0.06 0.00 -0.52 0.00 0.00 52.55 51.81 2jnd s ASP 65 Cb -0.03 0.32 0.71 0.00 -1.46 0.00 0.00 42.92 42.46 2jnd s ASP 65 CO 0.21 -0.68 1.95 -0.61 0.52 0.00 0.00 175.17 176.56 2jnd h GLN 66 N 2.95 0.52 0.00 4.34 -0.00 -2.01 -0.79 115.11 120.11 2jnd h GLN 66 Ca -0.34 -0.08 -0.00 0.00 -0.00 0.00 0.00 58.65 58.23 2jnd h GLN 66 Cb 1.19 -0.09 -0.00 0.00 0.00 0.00 0.00 27.48 28.58 2jnd h GLN 66 CO 0.55 0.47 -0.01 0.82 0.00 0.00 0.00 178.83 180.66 2jnd h ILE 67 N 0.51 0.02 0.00 2.39 2.04 -2.01 -3.47 117.51 116.99 2jnd h ILE 67 Ca 0.12 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.05 2jnd h ILE 67 Cb 0.18 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 2jnd h ILE 67 CO -0.01 0.01 0.00 0.61 0.00 0.00 0.00 178.15 178.77 2jnd n GLY 68 N 0.90 1.52 3.69 5.37 0.00 -0.30 -5.10 105.19 111.26 2jnd n GLY 68 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 5.26 -0.21 2.61 2.01 -1.26 -4.80 115.64 117.26 2jnd s THR 69 Ca 0.00 0.56 -0.21 0.00 0.31 0.00 0.00 61.69 62.35 2jnd s THR 69 Cb 0.00 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 2jnd s THR 69 CO 0.00 0.31 0.64 0.00 -0.69 0.00 0.00 174.62 174.88 2jnd s TRP 71 N 2.07 3.49 1.28 0.00 0.52 0.60 -4.90 118.94 121.99 2jnd s TRP 71 Ca 0.28 -2.09 -0.19 0.00 0.02 0.00 0.00 56.10 54.12 2jnd s TRP 71 Cb -0.16 -3.34 0.30 0.00 -1.15 0.00 0.00 33.47 29.12 2jnd s TRP 71 CO 0.10 -0.98 0.67 -0.35 0.02 0.00 0.00 176.95 176.41 2jnd n PRO 72 N 4.77 -3.74 -1.37 4.98 -0.04 -1.26 0.19 135.00 138.54 2jnd n PRO 72 Ca -0.06 -1.11 -0.36 0.00 -0.04 0.00 0.00 63.50 61.93 2jnd n PRO 72 Cb 0.41 -1.75 0.07 0.00 -0.04 0.00 0.00 33.50 32.19 2jnd n PRO 72 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2jnd n GLN 73 N -4.16 0.48 -0.43 0.54 6.02 -1.26 -3.94 117.38 114.63 2jnd n GLN 73 Ca 0.10 0.21 0.00 0.00 -0.01 0.00 0.00 57.00 57.30 2jnd n GLN 73 Cb 0.49 -2.05 0.00 0.00 1.02 0.00 0.00 30.24 29.71 2jnd n GLN 73 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2jnd n SER 74 N -0.95 0.00 -3.12 1.08 2.88 0.35 -4.89 113.62 108.96 2jnd n SER 74 Ca 0.12 -0.35 -0.13 0.00 -1.33 0.00 0.00 58.87 57.18 2jnd n SER 74 Cb 0.49 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.93 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 -1.00 0.31 0.44 -1.46 0.00 -1.26 0.11 121.76 118.90 2jnd s ALA 75 Ca 0.00 -1.28 -0.26 0.00 0.00 0.00 0.00 51.96 50.42 2jnd s ALA 75 Cb 0.00 1.00 -0.09 0.00 0.00 0.00 0.00 23.12 24.04 2jnd s ALA 75 CO 0.00 -0.85 1.44 -0.35 0.00 0.00 0.00 175.76 176.00 2jnd n PRO 76 N -0.56 2.30 -3.62 0.00 -0.04 -1.26 -2.65 135.00 129.17 2jnd n PRO 76 Ca -0.02 0.82 -0.26 0.00 -0.04 0.00 0.00 63.50 64.00 2jnd n PRO 76 Cb 0.61 -2.63 0.05 0.00 -0.04 0.00 0.00 33.50 31.48 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 0.57 -0.52 3.29 0.55 0.00 0.16 -4.94 105.19 104.30 2jnd n GLY 77 Ca 0.05 0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.27 2.92 -1.00 4.61 0.00 -1.08 -4.92 121.76 119.02 2jnd s ALA 78 Ca 0.57 -1.43 -0.23 0.00 0.00 0.00 0.00 51.96 50.86 2jnd s ALA 78 Cb -0.27 -1.96 0.04 0.00 0.00 0.00 0.00 23.12 20.93 2jnd s ALA 78 CO 0.70 -0.85 1.50 -1.17 0.00 0.00 0.00 175.76 175.95 2jnd s LEU 79 N 1.44 3.45 -0.50 0.00 2.96 -1.26 -1.33 118.68 123.44 2jnd s LEU 79 Ca 0.02 -1.33 -0.22 0.00 -0.22 0.00 0.00 54.13 52.38 2jnd s LEU 79 Cb -0.17 -2.57 0.04 0.00 0.50 0.00 0.00 46.19 43.99 2jnd s LEU 79 CO -0.00 -1.66 0.78 -0.69 -1.32 0.00 0.00 176.35 173.45 2jnd s VAL 80 N 5.60 4.64 0.28 1.68 1.01 -1.20 -4.92 120.40 127.49 2jnd s VAL 80 Ca 0.49 0.06 0.11 0.00 0.00 0.00 0.00 61.98 62.64 2jnd s VAL 80 Cb -0.01 -4.38 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 2jnd s VAL 80 CO -0.08 -0.87 -0.16 -1.83 0.00 0.00 0.00 175.10 172.15 2jnd s GLU 81 N 3.27 1.77 -0.29 2.72 -1.05 -1.26 0.10 118.70 123.97 2jnd s GLU 81 Ca 0.25 -1.74 -0.24 0.00 -0.15 0.00 0.00 54.97 53.09 2jnd s GLU 81 Cb -0.15 -1.82 0.16 0.00 -0.44 0.00 0.00 34.13 31.89 2jnd s GLU 81 CO 0.18 0.32 1.22 0.50 0.95 0.00 0.00 175.26 178.42 2jnd s ARG 82 N -3.54 0.27 -0.13 -4.83 3.52 -1.18 -4.89 118.95 108.17 2jnd s ARG 82 Ca 0.30 0.35 -0.22 0.00 -0.13 0.00 0.00 55.73 56.03 2jnd s ARG 82 Cb -0.04 0.12 -0.10 0.00 -1.56 0.00 0.00 34.95 33.36 2jnd s ARG 82 CO 0.16 -0.04 0.69 -2.30 -0.81 0.00 0.00 175.30 173.00 2jnd n PRO 83 N 2.15 0.00 -1.62 5.12 -0.02 -1.26 0.26 135.00 139.63 2jnd n PRO 83 Ca -0.12 0.00 -0.52 0.00 -2.02 0.00 0.00 63.50 60.84 2jnd n PRO 83 Cb 0.56 -0.77 -0.06 0.00 -0.02 0.00 0.00 33.50 33.21 2jnd n PRO 83 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jnd n PRO 85 N 6.81 1.90 0.00 0.00 -0.04 -1.26 -4.40 135.00 138.01 2jnd n PRO 85 Ca 0.30 -1.45 0.13 0.00 -0.04 0.00 0.00 63.50 62.43 2jnd n PRO 85 Cb 0.23 -2.48 0.35 0.00 -0.04 0.00 0.00 33.50 31.56 2jnd n PRO 85 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jnd n GLU 86 N 4.58 0.22 -1.23 0.54 4.71 -1.26 -4.61 120.64 123.60 2jnd n GLU 86 Ca 0.43 -0.12 -0.36 0.00 -0.01 0.00 0.00 57.16 57.10 2jnd n GLU 86 Cb 0.16 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.06 2jnd n GLU 86 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2jnd n TYR 87 N -1.29 2.30 -1.06 -0.32 4.02 -1.26 -4.51 117.16 115.04 2jnd n TYR 87 Ca 0.08 -2.52 -0.03 0.00 -0.01 0.00 0.00 57.90 55.41 2jnd n TYR 87 Cb 0.33 -2.14 0.31 0.00 -0.02 0.00 0.00 39.34 37.82 2jnd n TYR 87 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2jnd n PHE 88 N 5.08 2.21 0.00 -0.72 3.72 -1.26 -4.74 117.46 121.75 2jnd n PHE 88 Ca 0.58 -1.16 0.00 0.00 -0.05 0.00 0.00 57.45 56.81 2jnd n PHE 88 Cb 0.27 -0.63 0.00 0.00 -0.94 0.00 0.00 39.48 38.18 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 -0.19 0.00 0.00 4.37 2.85 -1.26 -5.06 115.26 115.97 2jnd n ASN 89 Ca 0.38 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.85 2jnd n ASN 89 Cb 1.31 0.00 0.00 0.00 1.24 0.00 0.00 39.78 42.33 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 -1.54 3.16 8.20 0.00 -1.26 -5.19 105.19 108.56 2jnd n GLY 90 Ca 0.00 0.51 -0.10 0.00 0.00 0.00 0.00 46.02 46.43 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 0.00 0.33 -0.65 -0.61 -1.09 -1.26 -4.96 121.20 112.96 2jnd s ILE 91 Ca 0.00 -1.91 -0.02 0.00 -2.23 0.00 0.00 60.65 56.49 2jnd s ILE 91 Cb 0.00 -1.93 -0.02 0.00 -1.58 0.00 0.00 42.46 38.93 2jnd s ILE 91 CO 0.00 -0.61 0.59 0.29 -1.23 0.00 0.00 174.94 173.98 2jnd n LYS 92 N -0.09 -1.28 -1.17 2.79 4.01 -1.26 -4.55 118.16 116.62 2jnd n LYS 92 Ca -0.08 0.96 -0.22 0.00 -0.51 0.00 0.00 58.31 58.47 2jnd n LYS 92 Cb 0.63 -4.67 -0.12 0.00 -0.51 0.00 0.00 35.03 30.36 2jnd n LYS 92 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2jnd n TYR 93 N -2.12 0.90 0.00 2.13 4.01 -1.26 -3.54 117.16 117.28 2jnd n TYR 93 Ca -0.02 -2.03 0.00 0.00 -0.16 0.00 0.00 57.90 55.69 2jnd n TYR 93 Cb 0.54 -1.84 0.00 0.00 -0.31 0.00 0.00 39.34 37.73 2jnd n TYR 93 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2jnd n ASN 94 N 2.63 0.00 -3.39 7.72 4.05 -1.26 -5.08 115.26 119.94 2jnd n ASN 94 Ca 0.54 0.00 -0.17 0.00 0.45 0.00 0.00 54.58 55.40 2jnd n ASN 94 Cb 0.67 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.69 2jnd n ASN 94 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 2jnd n THR 95 N 0.00 -1.80 -1.01 -0.44 -1.04 -1.23 -4.73 114.28 104.02 2jnd n THR 95 Ca 0.00 -0.07 -0.28 0.00 -2.04 0.00 0.00 64.05 61.66 2jnd n THR 95 Cb 0.00 -1.59 -0.04 0.00 -1.82 0.00 0.00 70.33 66.87 2jnd n THR 95 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2jnd n THR 96 N -2.05 3.30 -3.75 12.58 -2.24 -1.26 -4.75 114.28 116.11 2jnd n THR 96 Ca -0.17 -1.93 -0.09 0.00 -2.27 0.00 0.00 64.05 59.59 2jnd n THR 96 Cb 0.39 -2.32 0.01 0.00 -2.10 0.00 0.00 70.33 66.31 2jnd n THR 96 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2jnd n ARG 97 N 3.68 0.83 -3.66 -0.78 3.00 -1.26 -4.98 116.66 113.48 2jnd n ARG 97 Ca 0.59 -2.00 -0.15 0.00 -0.01 0.00 0.00 57.85 56.28 2jnd n ARG 97 Cb 0.27 2.28 -0.08 0.00 0.00 0.00 0.00 32.46 34.93 2jnd n ARG 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2jnd s ASN 98 N -2.74 -0.45 -0.86 0.55 2.20 -1.26 -3.85 114.94 108.52 2jnd s ASN 98 Ca 0.17 0.58 -0.25 0.00 -0.94 0.00 0.00 52.86 52.42 2jnd s ASN 98 Cb -0.03 0.61 -0.05 0.00 -2.00 0.00 0.00 41.25 39.78 2jnd s ASN 98 CO 0.12 -0.43 1.96 0.00 -2.94 0.00 0.00 177.10 175.82 2jnd s ALA 99 N -0.83 1.67 -0.64 3.54 0.00 0.74 -4.62 121.76 121.63 2jnd s ALA 99 Ca -0.09 -1.37 -0.27 0.00 0.00 0.00 0.00 51.96 50.23 2jnd s ALA 99 Cb -0.03 -4.53 -0.00 0.00 0.00 0.00 0.00 23.12 18.56 2jnd s ALA 99 CO 0.05 -4.77 1.64 0.71 0.00 0.00 0.00 175.76 173.39 2jnd s TYR 100 N 10.20 1.91 -0.85 0.00 2.02 -1.26 -3.08 117.35 126.29 2jnd s TYR 100 Ca 0.71 0.50 0.00 0.00 -0.37 0.00 0.00 57.07 57.91 2jnd s TYR 100 Cb -0.08 -4.28 0.21 0.00 -0.40 0.00 0.00 41.96 37.42 2jnd s TYR 100 CO 0.02 -2.23 0.75 0.54 -1.57 0.00 0.00 175.55 173.06 2jnd n ARG 101 N 9.17 2.52 -2.04 -0.62 5.12 0.28 -3.60 116.66 127.49 2jnd n ARG 101 Ca 0.14 -4.50 -0.34 0.00 -1.93 0.00 0.00 57.85 51.23 2jnd n ARG 101 Cb 0.51 -2.38 0.02 0.00 -1.16 0.00 0.00 32.46 29.45 2jnd n ARG 101 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2jnd s GLU 102 N -1.53 3.16 0.46 5.56 2.12 -1.26 -3.28 118.70 123.94 2jnd s GLU 102 Ca 0.28 1.42 0.01 0.00 0.36 0.00 0.00 54.97 57.03 2jnd s GLU 102 Cb -0.05 -2.00 -0.00 0.00 0.26 0.00 0.00 34.13 32.35 2jnd s GLU 102 CO -0.12 -0.97 0.68 0.00 -0.54 0.00 0.00 175.26 174.31 2jnd s LEU 104 N -4.57 0.83 0.07 0.00 1.43 0.72 -3.56 118.68 113.61 2jnd s LEU 104 Ca 0.49 1.16 -0.13 0.00 -1.03 0.00 0.00 54.13 54.62 2jnd s LEU 104 Cb -0.10 -3.08 -0.25 0.00 0.03 0.00 0.00 46.19 42.80 2jnd s LEU 104 CO 0.38 -3.95 1.16 -0.33 0.23 0.00 0.00 176.35 173.83 2jnd h GLU 105 N -2.45 0.62 -0.66 1.70 5.08 -1.92 0.45 114.58 117.39 2jnd h GLU 105 Ca -0.55 -0.75 -0.08 0.00 -1.00 0.00 0.00 59.36 56.98 2jnd h GLU 105 Cb 1.33 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 30.79 2jnd h GLU 105 CO 0.49 1.33 0.10 -0.91 -1.00 0.00 0.00 179.01 179.01 2jnd h ASN 106 N 0.31 1.05 0.00 1.42 4.21 -1.93 -3.40 115.58 117.23 2jnd h ASN 106 Ca -0.16 -0.25 0.00 0.00 1.21 0.00 0.00 56.30 57.10 2jnd h ASN 106 Cb 1.81 -0.28 0.00 0.00 -1.12 0.00 0.00 38.32 38.73 2jnd h ASN 106 CO 0.22 1.04 0.00 0.61 -1.29 0.00 0.00 177.43 178.01 2jnd n GLY 107 N -0.58 0.22 3.51 2.83 0.00 -1.24 -3.99 105.19 105.94 2jnd n GLY 107 Ca 0.04 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 0.03 0.64 2.61 -4.23 -1.26 -1.06 115.64 112.38 2jnd s THR 108 Ca 0.00 -1.06 -0.17 0.00 -1.18 0.00 0.00 61.69 59.28 2jnd s THR 108 Cb 0.00 -1.78 -0.01 0.00 1.34 0.00 0.00 72.50 72.05 2jnd s THR 108 CO 0.00 -0.14 1.22 0.26 -0.54 0.00 0.00 174.62 175.43 2jnd s TRP 109 N -3.93 2.24 0.34 3.99 0.52 -1.26 0.26 118.94 121.10 2jnd s TRP 109 Ca 0.14 1.53 -0.22 0.00 0.02 0.00 0.00 56.10 57.57 2jnd s TRP 109 Cb -0.00 -3.51 -0.10 0.00 -1.15 0.00 0.00 33.47 28.71 2jnd s TRP 109 CO 0.01 -2.44 0.87 0.00 0.02 0.00 0.00 176.95 175.40 2jnd s ALA 110 N -1.69 3.21 0.28 0.98 0.00 -1.23 -4.38 121.76 118.94 2jnd s ALA 110 Ca 0.77 0.34 0.07 0.00 0.00 0.00 0.00 51.96 53.15 2jnd s ALA 110 Cb -0.31 -3.04 0.40 0.00 0.00 0.00 0.00 23.12 20.17 2jnd s ALA 110 CO 0.38 0.22 1.65 0.77 0.00 0.00 0.00 175.76 178.78 2jnd h SER 111 N 2.69 0.17 -4.36 0.00 0.02 -1.94 -3.45 113.55 106.69 2jnd h SER 111 Ca -0.48 -0.08 -0.38 0.00 -0.84 0.00 0.00 61.79 60.00 2jnd h SER 111 Cb 1.19 -0.05 -0.20 0.00 0.14 0.00 0.00 62.40 63.48 2jnd h SER 111 CO 0.64 0.65 -0.76 0.00 -1.14 0.00 0.00 176.83 176.22 2jnd s ARG 112 N -3.91 0.86 0.52 3.45 1.70 -1.26 -5.17 118.95 115.15 2jnd s ARG 112 Ca -0.03 -1.07 0.01 0.00 -0.47 0.00 0.00 55.73 54.17 2jnd s ARG 112 Cb 0.13 -0.75 0.01 0.00 -0.57 0.00 0.00 34.95 33.77 2jnd s ARG 112 CO 0.77 0.15 0.11 0.28 -1.08 0.00 0.00 175.30 175.53 2jnd n VAL 113 N 0.92 0.00 -3.85 4.99 0.31 -1.26 -4.90 118.33 114.54 2jnd n VAL 113 Ca -0.19 -2.36 -0.36 0.00 -0.01 0.00 0.00 64.34 61.43 2jnd n VAL 113 Cb 0.56 0.35 -0.13 0.00 -0.91 0.00 0.00 33.84 33.70 2jnd n VAL 113 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2jnd s ASN 114 N -3.93 5.05 -0.22 4.52 3.84 -1.24 -4.95 114.94 118.02 2jnd s ASN 114 Ca 0.08 -1.43 0.14 0.00 0.21 0.00 0.00 52.86 51.86 2jnd s ASN 114 Cb -0.01 -1.77 0.52 0.00 -0.55 0.00 0.00 41.25 39.45 2jnd s ASN 114 CO 0.05 -0.34 1.44 -1.22 -2.79 0.00 0.00 177.10 174.24 2jnd n TYR 115 N 4.65 1.02 0.17 0.43 4.02 -1.26 -4.35 117.16 121.83 2jnd n TYR 115 Ca -0.10 -1.12 0.03 0.00 -0.01 0.00 0.00 57.90 56.70 2jnd n TYR 115 Cb 0.43 -0.38 0.41 0.00 -0.02 0.00 0.00 39.34 39.78 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 1.49 0.10 -0.16 7.72 0.02 -2.00 -3.43 113.55 117.29 2jnd h SER 116 Ca 0.08 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2jnd h SER 116 Cb 1.54 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 64.05 2jnd h SER 116 CO 0.29 0.33 0.00 0.00 -1.14 0.00 0.00 176.83 176.31 2jnd n HIS 117 N -4.24 0.00 -2.65 3.45 1.44 -1.26 -4.81 115.22 107.14 2jnd n HIS 117 Ca -0.02 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.61 2jnd n HIS 117 Cb 0.30 0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.43 2jnd n HIS 117 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2jnd s GLU 119 N -5.12 -0.73 0.47 0.00 -1.05 -1.26 -5.05 118.70 105.96 2jnd s GLU 119 Ca 0.15 0.89 -0.04 0.00 -0.15 0.00 0.00 54.97 55.81 2jnd s GLU 119 Cb -0.06 -1.57 0.10 0.00 -0.44 0.00 0.00 34.13 32.15 2jnd s GLU 119 CO 0.18 -3.61 0.64 -0.35 0.95 0.00 0.00 175.26 173.07 2jnd n PRO 120 N -4.84 -0.19 -4.39 -4.83 -0.05 -1.26 -4.81 135.00 114.63 2jnd n PRO 120 Ca 0.04 -1.35 -0.19 0.00 -0.05 0.00 0.00 63.50 61.94 2jnd n PRO 120 Cb 0.54 -0.54 -0.10 0.00 -0.05 0.00 0.00 33.50 33.35 2jnd n PRO 120 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 175.50 176.41 2jnd s ILE 121 N -2.05 0.88 -2.11 0.52 -0.00 -1.26 -4.98 121.20 112.20 2jnd s ILE 121 Ca 0.39 -2.00 0.31 0.00 -0.00 0.00 0.00 60.65 59.35 2jnd s ILE 121 Cb -0.02 -2.71 0.83 0.00 -0.00 0.00 0.00 42.46 40.56 2jnd s ILE 121 CO 0.27 0.00 2.12 0.18 -0.00 0.00 0.00 174.94 177.51