#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 -0.15 0.00 -3.71 0.00 8.25 -1.26 -5.16 115.22 113.20 2jnd n HIS 46 Ca -0.10 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.22 2jnd n HIS 46 Cb 0.57 0.32 -0.08 0.00 1.12 0.00 0.00 29.99 31.92 2jnd n HIS 46 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 2jnd s ARG 47 N -0.67 0.73 0.00 -0.41 1.04 -1.26 -5.06 118.95 113.32 2jnd s ARG 47 Ca 0.00 -0.02 0.00 0.00 -1.04 0.00 0.00 55.73 54.67 2jnd s ARG 47 Cb 0.00 0.33 0.00 0.00 -2.04 0.00 0.00 34.95 33.24 2jnd s ARG 47 CO 0.00 -0.20 0.00 -2.37 -0.04 0.00 0.00 175.30 172.69 2jnd n THR 48 N 1.35 0.00 -0.90 4.99 5.66 -1.26 -4.67 114.28 119.46 2jnd n THR 48 Ca -0.20 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.68 2jnd n THR 48 Cb 0.56 -0.14 -0.04 0.00 -1.55 0.00 0.00 70.33 69.16 2jnd n THR 48 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 2jnd n THR 49 N 0.00 2.68 -0.00 1.09 -1.04 -1.26 -3.74 114.28 112.00 2jnd n THR 49 Ca 0.00 -1.48 0.01 0.00 -2.04 0.00 0.00 64.05 60.55 2jnd n THR 49 Cb 0.00 -1.59 -0.02 0.00 -1.82 0.00 0.00 70.33 66.89 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 1.32 0.02 -2.02 12.58 5.41 -1.26 -5.05 119.36 130.36 2jnd n ILE 50 Ca 0.27 -0.08 -0.33 0.00 1.00 0.00 0.00 62.75 63.62 2jnd n ILE 50 Cb 0.63 0.33 0.01 0.00 -0.71 0.00 0.00 39.64 39.90 2jnd n ILE 50 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2jnd s GLY 51 N -2.43 2.09 1.04 7.39 0.00 -1.25 -5.04 107.32 109.11 2jnd s GLY 51 Ca -0.01 0.36 -0.12 0.00 0.00 0.00 0.00 44.72 44.94 2jnd s GLY 51 CO 0.13 0.68 1.08 -1.31 0.00 0.00 0.00 173.10 173.67 2jnd s ASN 52 N -2.88 2.23 0.95 1.64 -0.87 -1.26 -5.03 114.94 109.73 2jnd s ASN 52 Ca 0.63 1.31 -0.12 0.00 -1.57 0.00 0.00 52.86 53.11 2jnd s ASN 52 Cb -0.16 -2.00 0.16 0.00 -0.02 0.00 0.00 41.25 39.23 2jnd s ASN 52 CO 0.38 -3.39 1.11 0.72 -2.57 0.00 0.00 177.10 173.34 2jnd s PHE 53 N -2.83 2.28 -0.95 2.20 -0.12 -1.26 -4.30 117.98 113.00 2jnd s PHE 53 Ca 0.66 0.98 -0.01 0.00 -0.05 0.00 0.00 56.93 58.52 2jnd s PHE 53 Cb -0.20 -3.28 0.00 0.00 -0.63 0.00 0.00 43.02 38.91 2jnd s PHE 53 CO 0.59 -2.64 0.79 0.45 -0.05 0.00 0.00 175.22 174.37 2jnd n SER 54 N -3.99 -2.30 0.00 1.98 2.88 -1.26 -4.98 113.62 105.95 2jnd n SER 54 Ca 0.06 -0.48 0.00 0.00 -1.33 0.00 0.00 58.87 57.12 2jnd n SER 54 Cb 0.58 -4.11 0.00 0.00 -0.75 0.00 0.00 64.21 59.93 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 -1.15 0.10 3.30 0.46 0.00 -1.26 -4.94 105.19 101.70 2jnd n GLY 55 Ca -0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.22 1.01 -2.74 1.61 -0.04 -1.26 -4.90 135.00 127.45 2jnd n PRO 56 Ca 0.00 -1.67 -0.42 0.00 -0.04 0.00 0.00 63.50 61.37 2jnd n PRO 56 Cb 0.00 -2.95 -0.03 0.00 -0.04 0.00 0.00 33.50 30.48 2jnd n PRO 56 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2jnd s TYR 57 N 6.96 3.40 -0.85 0.54 5.04 -1.26 -3.71 117.35 127.47 2jnd s TYR 57 Ca 0.63 1.42 -0.02 0.00 -2.44 0.00 0.00 57.07 56.67 2jnd s TYR 57 Cb 0.12 -3.17 0.01 0.00 0.35 0.00 0.00 41.96 39.27 2jnd s TYR 57 CO 0.19 -0.35 0.07 0.25 -1.34 0.00 0.00 175.55 174.38 2jnd n THR 58 N 4.97 -0.51 -3.80 4.34 -2.24 -1.26 -4.89 114.28 110.89 2jnd n THR 58 Ca 0.09 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.77 2jnd n THR 58 Cb 0.48 -1.36 -0.05 0.00 -2.10 0.00 0.00 70.33 67.30 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 -2.52 0.03 -0.20 4.78 2.02 -1.24 -4.24 117.35 115.96 2jnd s TYR 59 Ca 0.06 -0.38 0.01 0.00 -0.37 0.00 0.00 57.07 56.40 2jnd s TYR 59 Cb -0.03 0.25 0.04 0.00 -0.40 0.00 0.00 41.96 41.82 2jnd s TYR 59 CO 0.08 -0.85 -0.15 0.00 -1.57 0.00 0.00 175.55 173.06 2jnd s ASN 61 N 1.28 5.97 0.16 0.00 4.22 -1.26 0.23 114.94 125.53 2jnd s ASN 61 Ca 0.00 1.63 -0.33 0.00 -2.14 0.00 0.00 52.86 52.02 2jnd s ASN 61 Cb -0.15 -2.51 -0.16 0.00 1.28 0.00 0.00 41.25 39.71 2jnd s ASN 61 CO -0.10 -1.04 1.22 1.07 -2.04 0.00 0.00 177.10 176.21 2jnd n THR 62 N -2.33 0.73 -4.23 0.54 5.66 -1.26 -4.57 114.28 108.83 2jnd n THR 62 Ca 0.07 -0.18 -0.20 0.00 -3.05 0.00 0.00 64.05 60.69 2jnd n THR 62 Cb 0.53 -0.91 -0.16 0.00 -1.55 0.00 0.00 70.33 68.25 2jnd n THR 62 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2jnd s THR 63 N -0.05 0.59 0.23 1.09 2.01 0.34 -4.22 115.64 115.63 2jnd s THR 63 Ca 0.75 -0.20 -0.04 0.00 0.31 0.00 0.00 61.69 62.51 2jnd s THR 63 Cb -0.85 -0.58 0.05 0.00 0.01 0.00 0.00 72.50 71.13 2jnd s THR 63 CO 0.51 0.22 0.31 -0.11 -0.69 0.00 0.00 174.62 174.86 2jnd n LEU 64 N 3.73 0.00 -3.85 4.42 7.94 -1.26 0.29 117.00 128.26 2jnd n LEU 64 Ca -0.22 -0.38 -0.07 0.00 -1.11 0.00 0.00 56.01 54.22 2jnd n LEU 64 Cb 0.52 -0.24 -0.02 0.00 0.53 0.00 0.00 43.42 44.22 2jnd n LEU 64 CO 0.24 -0.72 0.46 -0.62 -1.11 0.00 0.00 177.39 175.65 2jnd s ASP 65 N -2.16 -0.26 0.06 1.96 -1.08 -0.50 -4.71 116.67 109.98 2jnd s ASP 65 Ca 0.18 -0.60 -0.26 0.00 -0.52 0.00 0.00 52.55 51.34 2jnd s ASP 65 Cb -0.01 0.72 -0.17 0.00 -1.46 0.00 0.00 42.92 42.01 2jnd s ASP 65 CO 0.13 -1.34 1.58 -0.61 0.52 0.00 0.00 175.17 175.45 2jnd h GLN 66 N 2.01 -0.31 0.00 4.34 5.75 -2.00 -2.55 115.11 122.34 2jnd h GLN 66 Ca -0.19 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.33 2jnd h GLN 66 Cb 1.25 0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.87 2jnd h GLN 66 CO 0.24 -0.13 0.00 -0.89 -2.65 0.00 0.00 178.83 175.40 2jnd n ILE 67 N -5.18 1.09 -0.14 2.39 5.41 -1.26 -4.82 119.36 116.84 2jnd n ILE 67 Ca -0.09 0.54 0.00 0.00 1.00 0.00 0.00 62.75 64.19 2jnd n ILE 67 Cb 0.18 -1.50 0.00 0.00 -0.71 0.00 0.00 39.64 37.61 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 -0.87 1.66 3.70 7.39 0.00 -0.96 -5.09 105.19 111.02 2jnd n GLY 68 Ca 0.00 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 5.19 -0.34 2.61 2.01 -1.26 -4.87 115.64 116.99 2jnd s THR 69 Ca 0.00 0.11 -0.10 0.00 0.31 0.00 0.00 61.69 62.01 2jnd s THR 69 Cb 0.00 -3.36 0.01 0.00 0.01 0.00 0.00 72.50 69.16 2jnd s THR 69 CO 0.00 0.45 0.17 0.00 -0.69 0.00 0.00 174.62 174.55 2jnd s TRP 71 N 1.57 2.81 1.00 0.00 0.52 0.82 -4.85 118.94 120.81 2jnd s TRP 71 Ca 0.03 0.16 -0.13 0.00 0.02 0.00 0.00 56.10 56.19 2jnd s TRP 71 Cb -0.18 -4.09 0.12 0.00 -1.15 0.00 0.00 33.47 28.17 2jnd s TRP 71 CO 0.06 -1.30 0.69 -0.35 0.02 0.00 0.00 176.95 176.08 2jnd n PRO 72 N 7.47 -0.85 -1.67 4.98 -0.04 -1.26 0.13 135.00 143.75 2jnd n PRO 72 Ca 0.04 -0.20 -0.47 0.00 -0.04 0.00 0.00 63.50 62.83 2jnd n PRO 72 Cb 0.48 -2.06 -0.04 0.00 -0.04 0.00 0.00 33.50 31.84 2jnd n PRO 72 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2jnd n GLN 73 N -3.10 2.16 0.00 0.54 0.00 -1.26 -4.43 117.38 111.29 2jnd n GLN 73 Ca 0.07 0.78 0.00 0.00 -0.00 0.00 0.00 57.00 57.86 2jnd n GLN 73 Cb 0.54 -2.58 0.00 0.00 0.00 0.00 0.00 30.24 28.20 2jnd n GLN 73 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2jnd n SER 74 N 4.58 0.07 -3.52 1.69 2.88 0.62 -4.92 113.62 115.01 2jnd n SER 74 Ca 0.19 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.62 2jnd n SER 74 Cb 0.29 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.72 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 0.01 0.84 -1.46 0.00 -1.26 0.18 121.76 118.08 2jnd s ALA 75 Ca 0.00 -1.08 -0.12 0.00 0.00 0.00 0.00 51.96 50.77 2jnd s ALA 75 Cb 0.00 1.02 0.10 0.00 0.00 0.00 0.00 23.12 24.25 2jnd s ALA 75 CO 0.00 -0.86 1.17 -1.25 0.00 0.00 0.00 175.76 174.82 2jnd s PRO 76 N -3.35 1.47 -1.27 0.00 0.04 -1.26 -3.71 135.00 126.92 2jnd s PRO 76 Ca 0.24 1.61 -0.06 0.00 0.04 0.00 0.00 61.00 62.83 2jnd s PRO 76 Cb -0.02 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.75 2jnd s PRO 76 CO 0.14 -2.31 0.66 0.41 0.04 0.00 0.00 177.00 175.93 2jnd n GLY 77 N 0.20 -0.51 2.57 0.56 0.00 0.41 -4.94 105.19 103.48 2jnd n GLY 77 Ca 0.12 0.25 -0.27 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.68 0.47 -0.88 4.61 0.00 -1.24 -4.98 121.76 116.05 2jnd s ALA 78 Ca 0.15 -0.97 -0.22 0.00 0.00 0.00 0.00 51.96 50.92 2jnd s ALA 78 Cb -0.05 -1.44 -0.13 0.00 0.00 0.00 0.00 23.12 21.50 2jnd s ALA 78 CO 0.84 -1.65 1.93 -0.11 0.00 0.00 0.00 175.76 176.77 2jnd n LEU 79 N 5.26 3.97 -4.50 0.00 7.94 -1.26 -2.85 117.00 125.56 2jnd n LEU 79 Ca -0.05 -3.01 -0.47 0.00 -1.11 0.00 0.00 56.01 51.37 2jnd n LEU 79 Cb 0.43 -1.27 -0.06 0.00 0.53 0.00 0.00 43.42 43.05 2jnd n LEU 79 CO 0.04 -0.62 1.84 0.52 -1.11 0.00 0.00 177.39 178.06 2jnd n VAL 80 N 6.36 0.22 -4.04 1.96 0.31 -1.09 -4.68 118.33 117.37 2jnd n VAL 80 Ca 0.49 -0.35 -0.22 0.00 -0.01 0.00 0.00 64.34 64.25 2jnd n VAL 80 Cb 0.42 -1.99 -0.05 0.00 -0.91 0.00 0.00 33.84 31.31 2jnd n VAL 80 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2jnd s GLU 81 N 6.40 2.74 0.00 5.55 1.03 -1.26 0.84 118.70 134.01 2jnd s GLU 81 Ca 1.07 -1.21 0.00 0.00 0.03 0.00 0.00 54.97 54.86 2jnd s GLU 81 Cb -0.66 -2.46 0.00 0.00 -0.80 0.00 0.00 34.13 30.21 2jnd s GLU 81 CO 0.43 0.28 0.00 2.89 -1.33 0.00 0.00 175.26 177.53 2jnd n ARG 82 N -1.20 0.00 -1.60 -4.83 1.85 0.64 -4.97 116.66 106.55 2jnd n ARG 82 Ca -0.05 0.00 -0.51 0.00 -1.00 0.00 0.00 57.85 56.29 2jnd n ARG 82 Cb 0.59 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.94 2jnd n ARG 82 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 2jnd n PRO 83 N -0.25 1.54 -2.20 2.89 -0.04 -1.26 0.16 135.00 135.83 2jnd n PRO 83 Ca 0.00 0.52 -0.41 0.00 -0.04 0.00 0.00 63.50 63.56 2jnd n PRO 83 Cb 0.00 -2.49 -0.03 0.00 -0.04 0.00 0.00 33.50 30.94 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 2.72 2.74 0.27 0.00 -0.04 -1.26 -4.56 135.00 134.86 2jnd n PRO 85 Ca 0.07 -1.76 0.16 0.00 -0.04 0.00 0.00 63.50 61.93 2jnd n PRO 85 Cb 0.43 -2.60 0.59 0.00 -0.04 0.00 0.00 33.50 31.89 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 5.79 0.00 -3.49 0.54 4.81 -1.94 -3.36 114.58 116.93 2jnd h GLU 86 Ca 0.65 0.00 -0.70 0.00 -0.13 0.00 0.00 59.36 59.18 2jnd h GLU 86 Cb 0.21 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 2jnd h GLU 86 CO 1.59 0.00 3.27 0.66 -0.73 0.00 0.00 179.01 183.80 2jnd n TYR 87 N -3.10 3.01 0.01 0.92 4.01 -1.26 -4.58 117.16 116.17 2jnd n TYR 87 Ca 0.01 -3.00 0.09 0.00 -0.16 0.00 0.00 57.90 54.85 2jnd n TYR 87 Cb 0.35 -2.44 0.27 0.00 -0.31 0.00 0.00 39.34 37.21 2jnd n TYR 87 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2jnd n PHE 88 N 4.68 0.92 -2.62 -0.72 7.35 -1.26 -4.44 117.46 121.37 2jnd n PHE 88 Ca 0.62 -0.43 -0.03 0.00 -0.76 0.00 0.00 57.45 56.85 2jnd n PHE 88 Cb 0.32 -0.06 0.06 0.00 0.35 0.00 0.00 39.48 40.15 2jnd n PHE 88 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2jnd n ASN 89 N 1.15 -1.05 -2.79 -2.13 3.02 -1.26 -5.00 115.26 107.20 2jnd n ASN 89 Ca 0.20 -1.78 -0.15 0.00 -0.03 0.00 0.00 54.58 52.83 2jnd n ASN 89 Cb 0.57 0.63 0.06 0.00 -0.61 0.00 0.00 39.78 40.43 2jnd n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jnd n GLY 90 N -0.70 -0.15 3.43 7.41 0.00 -1.26 -5.04 105.19 108.88 2jnd n GLY 90 Ca -0.12 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.25 1.72 0.00 -0.61 1.09 -1.26 -5.04 121.20 113.84 2jnd s ILE 91 Ca 0.18 -2.14 0.00 0.00 -1.10 0.00 0.00 60.65 57.59 2jnd s ILE 91 Cb -0.08 -2.44 0.00 0.00 -1.06 0.00 0.00 42.46 38.88 2jnd s ILE 91 CO 0.54 -0.31 0.00 0.29 -0.10 0.00 0.00 174.94 175.36 2jnd n LYS 92 N -0.59 0.00 -0.07 2.79 4.76 -1.26 -4.18 118.16 119.60 2jnd n LYS 92 Ca -0.06 0.48 0.05 0.00 -2.87 0.00 0.00 58.31 55.92 2jnd n LYS 92 Cb 0.63 -0.63 0.07 0.00 -1.84 0.00 0.00 35.03 33.26 2jnd n LYS 92 CO 0.00 0.00 0.00 2.48 -1.37 0.00 0.00 177.40 178.51 2jnd n TYR 93 N 0.10 0.00 -2.66 2.13 4.11 -1.26 -4.80 117.16 114.78 2jnd n TYR 93 Ca 0.00 -0.69 -0.03 0.00 -0.00 0.00 0.00 57.90 57.17 2jnd n TYR 93 Cb 0.00 -0.10 0.11 0.00 -0.00 0.00 0.00 39.34 39.35 2jnd n TYR 93 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15 2jnd n ASN 94 N -0.92 -1.23 -4.58 9.48 5.15 -1.26 -5.09 115.26 116.82 2jnd n ASN 94 Ca 0.08 -1.85 -0.21 0.00 -0.60 0.00 0.00 54.58 52.01 2jnd n ASN 94 Cb 0.50 1.08 -0.09 0.00 -0.53 0.00 0.00 39.78 40.74 2jnd n ASN 94 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2jnd s THR 95 N 0.05 3.26 0.25 -0.44 2.01 -1.26 -4.72 115.64 114.80 2jnd s THR 95 Ca 0.21 -0.40 0.22 0.00 0.31 0.00 0.00 61.69 62.03 2jnd s THR 95 Cb 0.28 -4.13 0.20 0.00 0.01 0.00 0.00 72.50 68.86 2jnd s THR 95 CO -0.18 -0.48 1.86 0.00 -0.69 0.00 0.00 174.62 175.13 2jnd h THR 96 N 6.63 0.76 -6.21 -0.82 1.03 -1.90 -3.45 112.91 108.96 2jnd h THR 96 Ca 0.10 -1.12 -0.47 0.00 -0.01 0.00 0.00 66.41 64.90 2jnd h THR 96 Cb 0.98 1.70 0.01 0.00 -1.07 0.00 0.00 68.15 69.76 2jnd h THR 96 CO 1.11 0.26 -0.12 0.54 -0.01 0.00 0.00 175.52 177.31 2jnd n ARG 97 N -3.60 0.66 -1.79 0.00 1.74 -1.26 -5.10 116.66 107.31 2jnd n ARG 97 Ca -0.01 -2.98 0.00 0.00 -0.77 0.00 0.00 57.85 54.10 2jnd n ARG 97 Cb 0.40 -0.07 0.00 0.00 -1.02 0.00 0.00 32.46 31.77 2jnd n ARG 97 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2jnd n ASN 98 N -2.23 0.00 -4.38 0.55 6.94 -1.26 -4.57 115.26 110.30 2jnd n ASN 98 Ca 0.11 -0.90 -0.30 0.00 -0.02 0.00 0.00 54.58 53.46 2jnd n ASN 98 Cb 0.56 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.84 2jnd n ASN 98 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jnd s ALA 99 N -1.98 2.37 -0.03 -2.53 0.00 0.41 -3.44 121.76 116.56 2jnd s ALA 99 Ca 0.00 -1.29 0.04 0.00 0.00 0.00 0.00 51.96 50.70 2jnd s ALA 99 Cb 0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 23.12 22.59 2jnd s ALA 99 CO 0.00 0.55 -0.14 0.71 0.00 0.00 0.00 175.76 176.88 2jnd s TYR 100 N -0.89 1.34 -0.33 0.00 1.51 -1.26 -0.26 117.35 117.47 2jnd s TYR 100 Ca 0.13 -0.33 -0.01 0.00 -1.01 0.00 0.00 57.07 55.85 2jnd s TYR 100 Cb -0.10 -0.91 0.13 0.00 -0.11 0.00 0.00 41.96 40.97 2jnd s TYR 100 CO 0.04 -0.10 0.21 0.50 -1.11 0.00 0.00 175.55 175.09 2jnd s ARG 101 N -0.04 0.41 1.08 -0.62 3.52 0.25 0.64 118.95 124.19 2jnd s ARG 101 Ca -0.00 -0.91 -0.13 0.00 -0.13 0.00 0.00 55.73 54.56 2jnd s ARG 101 Cb -0.09 -1.14 0.24 0.00 -1.56 0.00 0.00 34.95 32.40 2jnd s ARG 101 CO 0.01 -1.13 1.06 -2.00 -0.81 0.00 0.00 175.30 172.43 2jnd s GLU 102 N 1.57 -0.25 -0.21 5.12 -6.30 -1.26 -2.68 118.70 114.70 2jnd s GLU 102 Ca 0.14 0.61 0.12 0.00 -2.50 0.00 0.00 54.97 53.34 2jnd s GLU 102 Cb -0.19 -1.65 0.41 0.00 0.00 0.00 0.00 34.13 32.70 2jnd s GLU 102 CO -0.15 -3.21 1.23 0.00 0.02 0.00 0.00 175.26 173.14 2jnd n LEU 104 N -1.15 0.00 0.04 0.00 4.32 -1.10 0.69 117.00 119.79 2jnd n LEU 104 Ca 0.20 0.99 -0.17 0.00 -0.02 0.00 0.00 56.01 57.01 2jnd n LEU 104 Cb 0.71 -2.89 -0.14 0.00 -1.62 0.00 0.00 43.42 39.48 2jnd n LEU 104 CO -0.02 -2.03 -0.51 -0.33 -1.22 0.00 0.00 177.39 173.28 2jnd h GLU 105 N 0.00 0.23 0.00 3.23 5.08 -1.93 1.19 114.58 122.37 2jnd h GLU 105 Ca 0.02 -0.39 -0.05 0.00 -1.00 0.00 0.00 59.36 57.94 2jnd h GLU 105 Cb 0.84 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2jnd h GLU 105 CO 0.01 1.06 -0.24 -0.91 -1.00 0.00 0.00 179.01 177.92 2jnd h ASN 106 N 0.06 0.00 0.00 1.42 4.21 -1.98 -3.41 115.58 115.88 2jnd h ASN 106 Ca -0.31 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.20 2jnd h ASN 106 Cb 2.03 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.23 2jnd h ASN 106 CO 0.13 0.24 0.00 0.61 -1.29 0.00 0.00 177.43 177.12 2jnd n GLY 107 N -0.35 0.70 3.05 2.83 0.00 -1.16 -4.54 105.19 105.72 2jnd n GLY 107 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.64 -0.03 0.26 2.61 -4.23 0.22 -4.50 115.64 109.32 2jnd s THR 108 Ca 0.00 0.11 -0.27 0.00 -1.18 0.00 0.00 61.69 60.36 2jnd s THR 108 Cb 0.00 -0.34 -0.16 0.00 1.34 0.00 0.00 72.50 73.34 2jnd s THR 108 CO 0.00 0.05 0.55 0.79 -0.54 0.00 0.00 174.62 175.47 2jnd n TRP 109 N 3.90 -0.39 -2.61 3.99 7.02 -1.26 -2.71 117.44 125.39 2jnd n TRP 109 Ca -0.22 0.85 -0.42 0.00 -1.02 0.00 0.00 57.50 56.69 2jnd n TRP 109 Cb 0.54 -1.99 -0.03 0.00 -2.42 0.00 0.00 31.31 27.42 2jnd n TRP 109 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2jnd s ALA 110 N -1.13 3.42 0.08 6.99 0.00 0.27 -4.79 121.76 126.60 2jnd s ALA 110 Ca 0.62 0.47 -0.16 0.00 0.00 0.00 0.00 51.96 52.90 2jnd s ALA 110 Cb -0.83 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 18.80 2jnd s ALA 110 CO 0.58 -0.63 0.85 0.43 0.00 0.00 0.00 175.76 176.99 2jnd n SER 111 N 4.97 -0.53 -4.79 0.00 7.64 -1.26 -4.51 113.62 115.14 2jnd n SER 111 Ca 0.09 0.97 -0.25 0.00 1.01 0.00 0.00 58.87 60.68 2jnd n SER 111 Cb 0.48 -0.15 -0.05 0.00 -1.01 0.00 0.00 64.21 63.47 2jnd n SER 111 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jnd s ARG 112 N -5.00 2.86 0.15 1.43 1.70 -1.26 -5.13 118.95 113.71 2jnd s ARG 112 Ca -0.06 -0.92 0.01 0.00 -0.47 0.00 0.00 55.73 54.29 2jnd s ARG 112 Cb 0.06 -2.61 -0.04 0.00 -0.57 0.00 0.00 34.95 31.79 2jnd s ARG 112 CO 0.31 0.47 0.30 0.08 -1.08 0.00 0.00 175.30 175.38 2jnd s VAL 113 N -1.82 5.30 -0.81 4.99 1.01 -1.26 -4.79 120.40 123.02 2jnd s VAL 113 Ca 0.31 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.59 2jnd s VAL 113 Cb -0.10 -3.73 -0.10 0.00 0.00 0.00 0.00 36.38 32.46 2jnd s VAL 113 CO 0.23 -0.09 1.98 0.59 0.00 0.00 0.00 175.10 177.81 2jnd n ASN 114 N -0.49 3.66 -0.09 3.32 4.13 0.21 -4.62 115.26 121.37 2jnd n ASN 114 Ca -0.06 -2.46 -0.10 0.00 1.68 0.00 0.00 54.58 53.64 2jnd n ASN 114 Cb 0.54 -1.07 -0.02 0.00 -1.54 0.00 0.00 39.78 37.68 2jnd n ASN 114 CO 0.00 0.00 0.00 1.88 0.28 0.00 0.00 177.26 179.42 2jnd h TYR 115 N 7.09 0.43 -0.91 3.10 0.05 -1.91 -2.82 116.97 122.00 2jnd h TYR 115 Ca 0.44 -0.02 0.24 0.00 0.05 0.00 0.00 58.73 59.44 2jnd h TYR 115 Cb 0.38 -0.13 -0.13 0.00 1.01 0.00 0.00 36.73 37.85 2jnd h TYR 115 CO 1.65 0.39 0.39 0.66 -1.05 0.00 0.00 178.16 180.20 2jnd h SER 116 N 0.35 0.30 -0.86 3.88 4.64 -1.96 0.56 113.55 120.46 2jnd h SER 116 Ca 0.10 0.17 0.13 0.00 -0.47 0.00 0.00 61.79 61.72 2jnd h SER 116 Cb 0.12 0.16 -0.07 0.00 -0.31 0.00 0.00 62.40 62.31 2jnd h SER 116 CO -0.01 -0.05 0.56 -0.74 -0.87 0.00 0.00 176.83 175.71 2jnd h HIS 117 N 0.35 0.80 -0.28 4.77 6.17 -1.78 -3.33 115.15 121.84 2jnd h HIS 117 Ca 0.59 0.02 -0.30 0.00 0.71 0.00 0.00 60.37 61.39 2jnd h HIS 117 Cb 1.17 -0.25 -0.01 0.00 2.52 0.00 0.00 27.41 30.84 2jnd h HIS 117 CO -0.14 0.32 0.97 0.00 0.71 0.00 0.00 177.93 179.79 2jnd s GLU 119 N 6.85 4.61 0.00 0.00 2.56 -1.25 -5.05 118.70 126.42 2jnd s GLU 119 Ca 0.70 1.28 0.00 0.00 0.00 0.00 0.00 54.97 56.96 2jnd s GLU 119 Cb 0.01 -3.36 0.00 0.00 2.00 0.00 0.00 34.13 32.78 2jnd s GLU 119 CO 0.16 0.26 0.00 -0.35 -0.56 0.00 0.00 175.26 174.78 2jnd n PRO 120 N 2.71 -1.12 -3.37 4.30 -0.04 -1.26 -4.59 135.00 131.63 2jnd n PRO 120 Ca -0.00 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.26 2jnd n PRO 120 Cb 0.49 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.94 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 -0.79 2.68 0.00 0.52 -0.00 -1.26 -4.88 121.20 117.48 2jnd s ILE 121 Ca 0.00 -1.22 0.00 0.00 -0.00 0.00 0.00 60.65 59.43 2jnd s ILE 121 Cb 0.00 -2.91 0.00 0.00 -0.00 0.00 0.00 42.46 39.55 2jnd s ILE 121 CO 0.00 0.00 0.36 0.18 -0.00 0.00 0.00 174.94 175.48