#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnd h HIS 46 N 0.02 0.00 -0.66 0.00 3.86 -1.95 -3.50 115.15 112.92 2jnd h HIS 46 Ca -0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 2jnd h HIS 46 Cb 2.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.52 2jnd h HIS 46 CO 0.03 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.36 2jnd n ARG 47 N -2.84 0.00 -0.33 2.45 5.12 -1.26 -3.60 116.66 116.20 2jnd n ARG 47 Ca 0.04 0.00 0.24 0.00 -1.93 0.00 0.00 57.85 56.20 2jnd n ARG 47 Cb 0.49 0.00 0.48 0.00 -1.16 0.00 0.00 32.46 32.27 2jnd n ARG 47 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 2jnd h THR 48 N 0.00 0.27 -0.61 0.55 2.02 -1.96 0.41 112.91 113.60 2jnd h THR 48 Ca 0.00 -0.10 -0.45 0.00 0.77 0.00 0.00 66.41 66.63 2jnd h THR 48 Cb 0.00 -0.04 -0.11 0.00 -1.74 0.00 0.00 68.15 66.26 2jnd h THR 48 CO 0.00 0.05 0.81 1.07 0.37 0.00 0.00 175.52 177.82 2jnd n THR 49 N -5.08 3.61 -0.05 3.16 5.66 -1.24 -4.29 114.28 116.06 2jnd n THR 49 Ca 0.32 -2.65 -0.18 0.00 -3.05 0.00 0.00 64.05 58.49 2jnd n THR 49 Cb 1.00 -1.91 -0.14 0.00 -1.55 0.00 0.00 70.33 67.73 2jnd n THR 49 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jnd n ILE 50 N 1.83 1.64 0.00 1.09 3.06 0.13 -4.87 119.36 122.25 2jnd n ILE 50 Ca 0.52 -0.66 0.00 0.00 -2.50 0.00 0.00 62.75 60.11 2jnd n ILE 50 Cb 0.59 -1.45 0.00 0.00 0.54 0.00 0.00 39.64 39.32 2jnd n ILE 50 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2jnd n GLY 51 N 2.01 0.63 3.94 4.50 0.00 -1.26 -5.02 105.19 109.99 2jnd n GLY 51 Ca -0.35 -1.87 -0.24 0.00 0.00 0.00 0.00 46.02 43.57 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 -4.00 6.16 0.41 1.61 -0.87 -1.26 -4.98 114.94 112.01 2jnd s ASN 52 Ca 0.00 0.44 0.00 0.00 -1.57 0.00 0.00 52.86 51.73 2jnd s ASN 52 Cb 0.00 -1.91 0.00 0.00 -0.02 0.00 0.00 41.25 39.32 2jnd s ASN 52 CO 0.00 -0.43 0.00 0.49 -2.57 0.00 0.00 177.10 174.59 2jnd n PHE 53 N -1.91 -3.62 -2.66 2.20 3.72 -1.26 -4.99 117.46 108.94 2jnd n PHE 53 Ca -0.03 1.86 -0.03 0.00 -0.05 0.00 0.00 57.45 59.20 2jnd n PHE 53 Cb 0.56 -3.29 0.04 0.00 -0.94 0.00 0.00 39.48 35.86 2jnd n PHE 53 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2jnd n SER 54 N -4.33 -1.22 -3.74 4.37 3.41 -1.26 -5.11 113.62 105.74 2jnd n SER 54 Ca -0.02 -0.80 -0.10 0.00 -0.26 0.00 0.00 58.87 57.69 2jnd n SER 54 Cb 0.67 0.62 -0.05 0.00 -0.26 0.00 0.00 64.21 65.19 2jnd n SER 54 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2jnd s GLY 55 N 0.89 -0.06 -0.00 5.00 0.00 -1.26 -5.10 107.32 106.79 2jnd s GLY 55 Ca 0.23 -0.30 -0.06 0.00 0.00 0.00 0.00 44.72 44.58 2jnd s GLY 55 CO -0.11 -0.45 0.66 -0.56 0.00 0.00 0.00 173.10 172.65 2jnd h PRO 56 N 2.40 -0.22 0.00 2.90 0.13 -1.99 -3.47 132.00 131.75 2jnd h PRO 56 Ca -0.32 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2jnd h PRO 56 Cb 1.25 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2jnd h PRO 56 CO 0.46 -0.14 0.00 0.66 -0.23 0.00 0.00 178.00 178.74 2jnd n TYR 57 N -2.95 0.00 -1.33 1.56 4.01 -1.26 -2.30 117.16 114.89 2jnd n TYR 57 Ca -0.03 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.42 2jnd n TYR 57 Cb 0.09 0.04 0.04 0.00 -0.31 0.00 0.00 39.34 39.19 2jnd n TYR 57 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2jnd n THR 58 N 0.00 3.32 -3.76 -0.72 -2.24 -1.26 -4.83 114.28 104.79 2jnd n THR 58 Ca 0.00 -2.79 -0.13 0.00 -2.27 0.00 0.00 64.05 58.86 2jnd n THR 58 Cb 0.00 -1.30 -0.14 0.00 -2.10 0.00 0.00 70.33 66.79 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 -2.90 -0.20 0.10 4.78 2.02 -0.97 -4.18 117.35 115.99 2jnd s TYR 59 Ca 0.52 0.54 -0.30 0.00 -0.37 0.00 0.00 57.07 57.45 2jnd s TYR 59 Cb 0.40 -0.02 -0.06 0.00 -0.40 0.00 0.00 41.96 41.88 2jnd s TYR 59 CO -0.11 -0.16 1.08 0.00 -1.57 0.00 0.00 175.55 174.79 2jnd s ASN 61 N 0.41 4.52 -0.35 0.00 4.22 -1.26 0.30 114.94 122.78 2jnd s ASN 61 Ca 0.52 -1.02 -0.32 0.00 -2.14 0.00 0.00 52.86 49.90 2jnd s ASN 61 Cb -0.27 -0.50 -0.14 0.00 1.28 0.00 0.00 41.25 41.62 2jnd s ASN 61 CO 0.31 -0.55 1.20 0.35 -2.04 0.00 0.00 177.10 176.37 2jnd n THR 62 N -1.27 0.00 -4.79 0.54 -2.24 -1.23 -4.67 114.28 100.61 2jnd n THR 62 Ca -0.01 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.53 2jnd n THR 62 Cb 0.64 -0.35 -0.15 0.00 -2.10 0.00 0.00 70.33 68.37 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 2.58 1.32 0.66 4.28 2.01 0.13 -4.55 115.64 122.07 2jnd s THR 63 Ca 0.75 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 62.06 2jnd s THR 63 Cb -1.04 -1.11 0.10 0.00 0.01 0.00 0.00 72.50 70.46 2jnd s THR 63 CO 0.54 0.38 0.91 -0.22 -0.69 0.00 0.00 174.62 175.54 2jnd s LEU 64 N -0.27 3.07 0.15 4.42 2.96 -1.26 0.96 118.68 128.71 2jnd s LEU 64 Ca 0.04 -0.32 -0.08 0.00 -0.22 0.00 0.00 54.13 53.55 2jnd s LEU 64 Cb -0.08 -2.19 -0.01 0.00 0.50 0.00 0.00 46.19 44.42 2jnd s LEU 64 CO 0.00 -1.61 0.25 -1.81 -1.32 0.00 0.00 176.35 171.86 2jnd s ASP 65 N -4.64 0.07 0.13 3.68 1.01 -1.15 -4.87 116.67 110.90 2jnd s ASP 65 Ca 0.63 -0.85 -0.24 0.00 0.71 0.00 0.00 52.55 52.81 2jnd s ASP 65 Cb -0.07 0.41 -0.02 0.00 1.01 0.00 0.00 42.92 44.26 2jnd s ASP 65 CO 0.42 -0.85 1.64 -0.61 0.21 0.00 0.00 175.17 175.98 2jnd h GLN 66 N 2.60 -0.28 0.00 8.23 -0.00 -2.01 -0.32 115.11 123.34 2jnd h GLN 66 Ca -0.32 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.35 2jnd h GLN 66 Cb 1.22 0.06 0.00 0.00 0.00 0.00 0.00 27.48 28.77 2jnd h GLN 66 CO 0.50 -0.19 0.00 -0.89 0.00 0.00 0.00 178.83 178.26 2jnd n ILE 67 N -5.35 0.86 0.00 2.39 5.41 -1.26 -4.85 119.36 116.56 2jnd n ILE 67 Ca -0.03 0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.93 2jnd n ILE 67 Cb 0.27 -0.96 0.00 0.00 -0.71 0.00 0.00 39.64 38.24 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 0.19 1.07 3.56 7.39 0.00 -0.13 -5.04 105.19 112.23 2jnd n GLY 68 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 3.41 -0.44 2.61 2.01 -1.26 -4.70 115.64 115.28 2jnd s THR 69 Ca 0.00 0.28 -0.27 0.00 0.31 0.00 0.00 61.69 62.01 2jnd s THR 69 Cb 0.00 -3.97 0.02 0.00 0.01 0.00 0.00 72.50 68.56 2jnd s THR 69 CO 0.00 -0.90 1.00 0.00 -0.69 0.00 0.00 174.62 174.03 2jnd s TRP 71 N 3.89 3.16 1.31 0.00 0.52 0.27 -4.91 118.94 123.18 2jnd s TRP 71 Ca 0.41 0.03 -0.21 0.00 0.02 0.00 0.00 56.10 56.34 2jnd s TRP 71 Cb -0.10 -2.99 0.33 0.00 -1.15 0.00 0.00 33.47 29.56 2jnd s TRP 71 CO 0.26 -0.62 1.05 -1.25 0.02 0.00 0.00 176.95 176.40 2jnd s PRO 72 N 2.41 -2.03 0.50 4.98 0.04 -1.26 0.20 135.00 139.83 2jnd s PRO 72 Ca 0.18 -0.08 -0.22 0.00 0.04 0.00 0.00 61.00 60.92 2jnd s PRO 72 Cb -0.16 -1.50 -0.08 0.00 0.04 0.00 0.00 34.50 32.80 2jnd s PRO 72 CO 0.14 -4.24 0.98 0.94 0.04 0.00 0.00 177.00 174.86 2jnd n GLN 73 N -5.14 1.18 -0.01 4.56 -0.06 -1.26 -4.26 117.38 112.40 2jnd n GLN 73 Ca 0.14 0.44 0.00 0.00 -2.00 0.00 0.00 57.00 55.58 2jnd n GLN 73 Cb 0.60 -2.09 0.00 0.00 -4.06 0.00 0.00 30.24 24.69 2jnd n GLN 73 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 2jnd n SER 74 N 0.03 0.00 -3.94 1.69 2.88 0.86 -4.94 113.62 110.20 2jnd n SER 74 Ca 0.11 -0.01 -0.09 0.00 -1.33 0.00 0.00 58.87 57.56 2jnd n SER 74 Cb 0.43 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.84 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 -0.52 0.46 -1.46 0.00 -1.26 0.77 121.76 118.76 2jnd s ALA 75 Ca 0.00 -0.69 -0.25 0.00 0.00 0.00 0.00 51.96 51.03 2jnd s ALA 75 Cb 0.00 0.99 -0.08 0.00 0.00 0.00 0.00 23.12 24.03 2jnd s ALA 75 CO 0.00 -0.88 1.41 -1.25 0.00 0.00 0.00 175.76 175.04 2jnd s PRO 76 N -3.98 3.63 -1.03 0.00 0.04 -1.26 -2.93 135.00 129.48 2jnd s PRO 76 Ca 0.18 2.38 0.00 0.00 0.04 0.00 0.00 61.00 63.60 2jnd s PRO 76 Cb -0.02 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.91 2jnd s PRO 76 CO 0.07 -0.84 0.00 0.41 0.04 0.00 0.00 177.00 176.67 2jnd n GLY 77 N 0.60 -0.10 3.20 0.56 0.00 -1.14 -4.94 105.19 103.37 2jnd n GLY 77 Ca 0.06 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.60 2.77 -0.72 4.61 0.00 -1.15 -4.96 121.76 119.72 2jnd s ALA 78 Ca 0.00 -1.57 -0.26 0.00 0.00 0.00 0.00 51.96 50.13 2jnd s ALA 78 Cb 0.00 -1.81 -0.01 0.00 0.00 0.00 0.00 23.12 21.30 2jnd s ALA 78 CO 0.00 -0.99 1.68 -1.17 0.00 0.00 0.00 175.76 175.28 2jnd s LEU 79 N 1.31 3.25 -0.76 0.00 2.96 -1.26 -2.42 118.68 121.76 2jnd s LEU 79 Ca -0.02 -0.16 -0.17 0.00 -0.22 0.00 0.00 54.13 53.57 2jnd s LEU 79 Cb -0.18 -2.55 0.15 0.00 0.50 0.00 0.00 46.19 44.12 2jnd s LEU 79 CO -0.03 -2.22 0.82 -0.69 -1.32 0.00 0.00 176.35 172.92 2jnd s VAL 80 N 7.99 5.11 0.15 1.68 1.01 -1.03 -4.93 120.40 130.38 2jnd s VAL 80 Ca 0.57 -1.71 -0.00 0.00 0.00 0.00 0.00 61.98 60.83 2jnd s VAL 80 Cb -0.10 -4.55 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 2jnd s VAL 80 CO 0.14 -1.17 0.33 -1.83 0.00 0.00 0.00 175.10 172.57 2jnd s GLU 81 N 1.69 3.50 -0.28 2.72 1.03 -1.26 -0.99 118.70 125.12 2jnd s GLU 81 Ca 0.19 -0.39 -0.25 0.00 0.03 0.00 0.00 54.97 54.55 2jnd s GLU 81 Cb -0.15 -2.91 0.12 0.00 -0.80 0.00 0.00 34.13 30.40 2jnd s GLU 81 CO -0.03 0.48 1.04 1.03 -1.33 0.00 0.00 175.26 176.44 2jnd s ARG 82 N -3.06 0.49 -0.01 -4.83 0.52 -0.40 -4.94 118.95 106.73 2jnd s ARG 82 Ca 0.37 0.59 -0.30 0.00 -0.52 0.00 0.00 55.73 55.87 2jnd s ARG 82 Cb -0.12 0.24 -0.06 0.00 0.52 0.00 0.00 34.95 35.53 2jnd s ARG 82 CO 0.28 -0.06 1.56 -1.25 0.02 0.00 0.00 175.30 175.85 2jnd s PRO 83 N 0.25 4.22 0.52 3.54 0.04 -1.26 -0.05 135.00 142.26 2jnd s PRO 83 Ca 0.03 2.14 -0.21 0.00 0.04 0.00 0.00 61.00 62.99 2jnd s PRO 83 Cb -0.05 -3.74 -0.06 0.00 0.04 0.00 0.00 34.50 30.70 2jnd s PRO 83 CO -0.07 -0.72 1.22 0.00 0.04 0.00 0.00 177.00 177.47 2jnd n PRO 85 N -0.94 2.18 0.24 0.00 -0.04 -1.26 -4.66 135.00 130.52 2jnd n PRO 85 Ca 0.10 -1.92 0.08 0.00 -0.04 0.00 0.00 63.50 61.73 2jnd n PRO 85 Cb 0.48 -2.84 0.61 0.00 -0.04 0.00 0.00 33.50 31.71 2jnd n PRO 85 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2jnd h GLU 86 N 6.75 0.00 -3.51 0.54 5.08 -1.94 -3.31 114.58 118.18 2jnd h GLU 86 Ca 0.52 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 58.47 2jnd h GLU 86 Cb 0.47 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.74 2jnd h GLU 86 CO 1.78 0.12 2.63 0.66 -1.00 0.00 0.00 179.01 183.21 2jnd n TYR 87 N -4.17 1.46 0.07 4.33 4.02 -1.26 -4.52 117.16 117.09 2jnd n TYR 87 Ca -0.02 -2.00 0.01 0.00 -0.01 0.00 0.00 57.90 55.88 2jnd n TYR 87 Cb 0.20 -1.71 0.18 0.00 -0.02 0.00 0.00 39.34 38.00 2jnd n TYR 87 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2jnd n PHE 88 N 4.46 1.07 0.00 -0.72 -0.00 -1.25 -4.50 117.46 116.52 2jnd n PHE 88 Ca 0.46 -0.45 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 2jnd n PHE 88 Cb 0.16 -0.34 0.00 0.00 -0.00 0.00 0.00 39.48 39.30 2jnd n PHE 88 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2jnd n ASN 89 N 0.23 0.00 0.00 -2.13 2.85 -1.26 -5.04 115.26 109.90 2jnd n ASN 89 Ca 0.15 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.62 2jnd n ASN 89 Cb 0.75 0.01 0.00 0.00 1.24 0.00 0.00 39.78 41.78 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 -0.81 -0.21 3.25 8.20 0.00 -1.26 -5.17 105.19 109.19 2jnd n GLY 90 Ca 0.00 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 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 1.66 0.00 -0.61 2.07 -1.26 -5.06 121.20 118.00 2jnd s ILE 91 Ca 0.00 -1.22 0.00 0.00 -1.41 0.00 0.00 60.65 58.02 2jnd s ILE 91 Cb 0.00 -1.45 0.00 0.00 0.13 0.00 0.00 42.46 41.14 2jnd s ILE 91 CO 0.00 0.18 0.00 1.17 -1.91 0.00 0.00 174.94 174.38 2jnd n LYS 92 N 1.78 0.00 -2.80 3.50 4.81 -1.26 -4.56 118.16 119.63 2jnd n LYS 92 Ca -0.17 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.25 2jnd n LYS 92 Cb 0.53 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.63 2jnd n LYS 92 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2jnd n TYR 93 N -0.47 1.29 0.16 5.64 4.02 -1.26 -4.90 117.16 121.64 2jnd n TYR 93 Ca 0.00 -2.22 0.00 0.00 -0.01 0.00 0.00 57.90 55.67 2jnd n TYR 93 Cb 0.00 -0.25 0.00 0.00 -0.02 0.00 0.00 39.34 39.07 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 -0.54 -2.76 -2.70 7.72 5.15 -1.26 -5.14 115.26 115.74 2jnd n ASN 94 Ca 0.08 0.63 -0.01 0.00 -0.60 0.00 0.00 54.58 54.68 2jnd n ASN 94 Cb 0.81 2.71 0.00 0.00 -0.53 0.00 0.00 39.78 42.76 2jnd n ASN 94 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 2jnd n THR 95 N -3.19-11.76 -1.11 -0.44 -1.04 -1.26 -4.99 114.28 90.50 2jnd n THR 95 Ca 0.00 1.74 0.08 0.00 -2.04 0.00 0.00 64.05 63.83 2jnd n THR 95 Cb 0.00 -6.90 0.20 0.00 -1.82 0.00 0.00 70.33 61.80 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 0.61 2.12 -3.88 12.58 -1.04 -1.26 -5.04 114.28 118.37 2jnd n THR 96 Ca 0.01 -2.22 -0.21 0.00 -2.04 0.00 0.00 64.05 59.59 2jnd n THR 96 Cb 0.04 -0.25 -0.03 0.00 -1.82 0.00 0.00 70.33 68.26 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 -2.91 2.98 0.16 -2.82 1.81 -1.26 -5.14 118.95 111.77 2jnd s ARG 97 Ca 0.37 -1.07 -0.03 0.00 -1.72 0.00 0.00 55.73 53.28 2jnd s ARG 97 Cb 0.32 -2.64 -0.03 0.00 -0.45 0.00 0.00 34.95 32.15 2jnd s ARG 97 CO 0.04 0.25 0.13 -0.80 -0.68 0.00 0.00 175.30 174.24 2jnd s ASN 98 N -3.97 0.21 -0.39 0.23 -0.87 -1.26 -4.58 114.94 104.31 2jnd s ASN 98 Ca 0.38 -1.19 0.02 0.00 -1.57 0.00 0.00 52.86 50.50 2jnd s ASN 98 Cb -0.08 0.35 0.11 0.00 -0.02 0.00 0.00 41.25 41.61 2jnd s ASN 98 CO 0.27 -0.80 0.12 0.00 -2.57 0.00 0.00 177.10 174.12 2jnd s ALA 99 N -4.06 3.03 -0.85 0.60 0.00 0.93 -4.80 121.76 116.61 2jnd s ALA 99 Ca 0.27 -2.64 -0.19 0.00 0.00 0.00 0.00 51.96 49.40 2jnd s ALA 99 Cb 0.06 -2.12 0.13 0.00 0.00 0.00 0.00 23.12 21.19 2jnd s ALA 99 CO 0.04 -1.77 1.03 0.71 0.00 0.00 0.00 175.76 175.78 2jnd s TYR 100 N 0.80 3.10 -0.66 0.00 1.51 -1.26 -1.27 117.35 119.58 2jnd s TYR 100 Ca 0.11 -1.28 -0.08 0.00 -1.01 0.00 0.00 57.07 54.80 2jnd s TYR 100 Cb -0.21 -4.22 0.17 0.00 -0.11 0.00 0.00 41.96 37.60 2jnd s TYR 100 CO -0.06 -1.45 0.53 0.50 -1.11 0.00 0.00 175.55 173.96 2jnd s ARG 101 N 2.65 2.91 0.33 -0.62 3.52 -0.16 -4.37 118.95 123.21 2jnd s ARG 101 Ca 0.28 -2.33 -0.18 0.00 -0.13 0.00 0.00 55.73 53.36 2jnd s ARG 101 Cb -0.09 -4.02 -0.09 0.00 -1.56 0.00 0.00 34.95 29.19 2jnd s ARG 101 CO -0.05 -1.22 0.81 -2.00 -0.81 0.00 0.00 175.30 172.02 2jnd s GLU 102 N 0.34 4.16 0.35 5.12 2.12 -1.26 -2.47 118.70 127.05 2jnd s GLU 102 Ca 0.15 0.88 -0.09 0.00 0.36 0.00 0.00 54.97 56.27 2jnd s GLU 102 Cb -0.18 -2.48 -0.06 0.00 0.26 0.00 0.00 34.13 31.67 2jnd s GLU 102 CO -0.05 0.16 0.68 0.00 -0.54 0.00 0.00 175.26 175.51 2jnd s LEU 104 N -3.66 1.57 0.24 0.00 1.43 0.44 -2.89 118.68 115.82 2jnd s LEU 104 Ca 0.48 1.50 0.17 0.00 -1.03 0.00 0.00 54.13 55.25 2jnd s LEU 104 Cb -0.10 -3.65 0.04 0.00 0.03 0.00 0.00 46.19 42.51 2jnd s LEU 104 CO 0.30 -3.45 1.27 -0.33 0.23 0.00 0.00 176.35 174.37 2jnd h GLU 105 N -2.11 0.00 -0.03 1.70 5.08 -1.92 -3.05 114.58 114.25 2jnd h GLU 105 Ca -0.55 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.65 2jnd h GLU 105 Cb 1.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 2jnd h GLU 105 CO 0.52 0.33 -0.69 -0.91 -1.00 0.00 0.00 179.01 177.26 2jnd h ASN 106 N 0.00 0.19 0.00 1.42 2.35 -1.98 -3.46 115.58 114.10 2jnd h ASN 106 Ca -0.04 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2jnd h ASN 106 Cb 1.34 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.66 2jnd h ASN 106 CO 0.05 0.82 0.00 0.61 -1.65 0.00 0.00 177.43 177.25 2jnd n GLY 107 N 0.45 0.76 3.38 2.83 0.00 -1.25 -4.86 105.19 106.50 2jnd n GLY 107 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 2jnd n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jnd s THR 108 N -1.21 0.00 0.67 2.61 2.01 -1.26 -4.55 115.64 113.91 2jnd s THR 108 Ca 0.00 -1.74 -0.13 0.00 0.31 0.00 0.00 61.69 60.13 2jnd s THR 108 Cb 0.00 -2.41 -0.00 0.00 0.01 0.00 0.00 72.50 70.09 2jnd s THR 108 CO 0.00 0.00 1.07 0.26 -0.69 0.00 0.00 174.62 175.26 2jnd s TRP 109 N -3.92 2.95 0.97 4.92 0.52 -1.26 0.17 118.94 123.29 2jnd s TRP 109 Ca 0.32 1.48 -0.12 0.00 0.02 0.00 0.00 56.10 57.80 2jnd s TRP 109 Cb 0.03 -2.97 0.17 0.00 -1.15 0.00 0.00 33.47 29.55 2jnd s TRP 109 CO 0.13 -1.30 1.10 0.00 0.02 0.00 0.00 176.95 176.90 2jnd s ALA 110 N -2.76 1.18 0.03 0.98 0.00 -1.21 -4.38 121.76 115.60 2jnd s ALA 110 Ca 0.61 -0.36 -0.24 0.00 0.00 0.00 0.00 51.96 51.97 2jnd s ALA 110 Cb -0.16 -3.11 -0.13 0.00 0.00 0.00 0.00 23.12 19.72 2jnd s ALA 110 CO 0.48 -2.67 1.31 0.77 0.00 0.00 0.00 175.76 175.65 2jnd h SER 111 N -1.78 -0.73 -4.36 0.00 0.02 -1.96 -3.46 113.55 101.29 2jnd h SER 111 Ca -0.53 0.03 -0.28 0.00 -0.84 0.00 0.00 61.79 60.16 2jnd h SER 111 Cb 1.32 0.19 -0.25 0.00 0.14 0.00 0.00 62.40 63.81 2jnd h SER 111 CO 0.58 -0.51 -0.74 -0.13 -1.14 0.00 0.00 176.83 174.90 2jnd s ARG 112 N -4.80 0.43 -0.02 3.45 3.00 -1.26 -5.16 118.95 114.59 2jnd s ARG 112 Ca -0.13 -0.46 -0.05 0.00 0.00 0.00 0.00 55.73 55.10 2jnd s ARG 112 Cb 0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 34.95 34.64 2jnd s ARG 112 CO 0.38 0.06 0.21 0.54 0.00 0.00 0.00 175.30 176.49 2jnd s VAL 113 N -0.78 5.40 -1.30 3.52 0.11 -1.26 -5.01 120.40 121.08 2jnd s VAL 113 Ca -0.05 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.84 2jnd s VAL 113 Cb -0.06 -3.53 0.09 0.00 -1.53 0.00 0.00 36.38 31.35 2jnd s VAL 113 CO 0.00 0.37 1.75 -0.46 -3.33 0.00 0.00 175.10 173.43 2jnd n ASN 114 N 1.13 4.87 -0.23 3.54 0.23 -1.26 -4.67 115.26 118.87 2jnd n ASN 114 Ca -0.12 -2.93 0.12 0.00 -0.53 0.00 0.00 54.58 51.12 2jnd n ASN 114 Cb 0.53 -1.69 0.15 0.00 -2.08 0.00 0.00 39.78 36.69 2jnd n ASN 114 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 2jnd n TYR 115 N 7.41 0.00 0.35 -2.53 4.02 -1.26 -4.17 117.16 120.97 2jnd n TYR 115 Ca 0.47 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.47 2jnd n TYR 115 Cb 0.44 -0.09 0.50 0.00 -0.02 0.00 0.00 39.34 40.17 2jnd n TYR 115 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2jnd n SER 116 N -0.78 0.61 0.11 7.72 7.64 -1.26 -2.72 113.62 124.93 2jnd n SER 116 Ca 0.09 0.68 0.09 0.00 1.01 0.00 0.00 58.87 60.74 2jnd n SER 116 Cb 0.38 -0.79 0.44 0.00 -1.01 0.00 0.00 64.21 63.22 2jnd n SER 116 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2jnd n HIS 117 N -2.20 0.57 -2.57 1.43 -0.00 -1.26 -4.70 115.22 106.49 2jnd n HIS 117 Ca 0.01 0.26 -0.42 0.00 -0.00 0.00 0.00 57.72 57.57 2jnd n HIS 117 Cb 0.18 -0.91 -0.03 0.00 -0.00 0.00 0.00 29.99 29.23 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 0.54 1.33 0.15 0.00 -1.05 -1.26 -5.15 118.70 113.25 2jnd s GLU 119 Ca 0.53 -1.15 -0.03 0.00 -0.15 0.00 0.00 54.97 54.18 2jnd s GLU 119 Cb -0.26 0.43 0.04 0.00 -0.44 0.00 0.00 34.13 33.90 2jnd s GLU 119 CO 0.30 -0.53 0.10 -0.35 0.95 0.00 0.00 175.26 175.73 2jnd n PRO 120 N -0.30 -2.10 -3.23 -4.83 -0.04 -1.26 -4.91 135.00 118.33 2jnd n PRO 120 Ca -0.06 -0.16 -0.44 0.00 -0.04 0.00 0.00 63.50 62.80 2jnd n PRO 120 Cb 0.63 -0.20 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 2jnd n PRO 120 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2jnd n ILE 121 N -3.19 4.79 -0.34 0.52 0.13 -1.26 -4.93 119.36 115.08 2jnd n ILE 121 Ca 0.01 -5.53 0.00 0.00 -1.10 0.00 0.00 62.75 56.14 2jnd n ILE 121 Cb 0.06 -2.44 0.00 0.00 -0.84 0.00 0.00 39.64 36.43 2jnd n ILE 121 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53