#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dge s THR 72 N 0.00 4.22 0.23 1.69 -4.23 -1.26 -4.91 115.64 111.37 2dge s THR 72 Ca 0.00 0.73 -0.08 0.00 -1.18 0.00 0.00 61.69 61.16 2dge s THR 72 Cb 0.00 -3.53 0.19 0.00 1.34 0.00 0.00 72.50 70.50 2dge s THR 72 CO 0.00 -0.93 1.87 -0.07 -0.54 0.00 0.00 174.62 174.94 2dge h LEU 73 N -0.58 0.85 -0.74 4.79 3.38 -2.05 -2.22 115.31 118.75 2dge h LEU 73 Ca -0.44 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 2dge h LEU 73 Cb 1.20 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 2dge h LEU 73 CO 0.58 0.58 0.43 0.44 0.09 0.00 0.00 178.44 180.56 2dge h ASP 74 N 1.00 0.90 -0.01 -0.43 3.32 -1.99 0.74 116.42 119.96 2dge h ASP 74 Ca 0.33 -0.08 -0.10 0.00 0.02 0.00 0.00 57.03 57.20 2dge h ASP 74 Cb 0.02 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 2dge h ASP 74 CO -0.12 0.72 -0.27 0.40 -1.72 0.00 0.00 179.24 178.25 2dge h ILE 75 N 1.01 1.27 -0.56 0.35 1.08 -1.85 0.06 117.51 118.87 2dge h ILE 75 Ca 0.26 -1.29 -0.10 0.00 -0.39 0.00 0.00 64.86 63.35 2dge h ILE 75 Cb -0.00 1.39 -0.02 0.00 -3.07 0.00 0.00 36.82 35.12 2dge h ILE 75 CO -0.05 0.40 -0.05 1.56 -0.69 0.00 0.00 178.15 179.33 2dge h GLN 76 N 0.39 1.02 -0.48 2.37 4.20 -0.85 0.71 115.11 122.47 2dge h GLN 76 Ca 0.06 -0.35 -0.11 0.00 0.06 0.00 0.00 58.65 58.31 2dge h GLN 76 Cb 0.68 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 2dge h GLN 76 CO 0.05 1.03 -0.13 0.00 -0.67 0.00 0.00 178.83 179.12 2dge h ARG 77 N 0.90 0.90 -0.46 1.46 3.08 -0.58 -2.21 114.38 117.46 2dge h ARG 77 Ca 0.15 -0.32 -0.14 0.00 0.07 0.00 0.00 59.98 59.74 2dge h ARG 77 Cb 0.61 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 2dge h ARG 77 CO 0.04 0.97 -0.26 0.78 -1.07 0.00 0.00 179.97 180.43 2dge h GLY 78 N 0.96 1.07 0.91 0.04 0.00 -0.81 -2.88 103.07 102.36 2dge h GLY 78 Ca 0.13 -0.99 0.03 0.00 0.00 0.00 0.00 47.33 46.49 2dge h GLY 78 CO 0.05 0.90 0.51 0.00 0.00 0.00 0.00 176.54 178.00 2dge h ALA 79 N 0.84 1.03 -0.23 3.60 0.00 -0.61 0.29 119.26 124.19 2dge h ALA 79 Ca 0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2dge h ALA 79 Cb 0.84 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2dge h ALA 79 CO 0.07 0.35 0.14 1.15 0.00 0.00 0.00 179.25 180.96 2dge h THR 80 N 1.01 1.08 -0.57 0.00 2.02 -1.34 -0.43 112.91 114.68 2dge h THR 80 Ca 0.31 -0.19 -0.06 0.00 0.77 0.00 0.00 66.41 67.24 2dge h THR 80 Cb -0.02 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 2dge h THR 80 CO -0.10 0.08 0.14 -0.07 0.37 0.00 0.00 175.52 175.94 2dge h LEU 81 N 0.29 0.86 -0.65 2.58 3.38 -1.28 -3.00 115.31 117.50 2dge h LEU 81 Ca 0.08 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.84 2dge h LEU 81 Cb 0.01 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 2dge h LEU 81 CO -0.02 0.87 0.41 0.15 0.09 0.00 0.00 178.44 179.95 2dge h PHE 82 N 0.82 0.78 0.00 1.13 3.57 -0.65 -1.42 116.94 121.17 2dge h PHE 82 Ca 0.18 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.70 2dge h PHE 82 Cb 0.34 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.82 2dge h PHE 82 CO 0.02 0.47 0.00 0.09 -2.23 0.00 0.00 178.31 176.66 2dge n ASN 83 N -4.67 0.00 -0.12 0.41 5.03 -0.20 -1.04 115.26 114.66 2dge n ASN 83 Ca 0.06 0.19 -0.18 0.00 0.87 0.00 0.00 54.58 55.52 2dge n ASN 83 Cb 0.05 -0.36 -0.11 0.00 -1.02 0.00 0.00 39.78 38.34 2dge n ASN 83 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2dge n ARG 84 N -1.36 0.61 -0.01 3.52 1.74 -0.82 -4.72 116.66 115.63 2dge n ARG 84 Ca 0.07 0.15 0.03 0.00 -0.77 0.00 0.00 57.85 57.33 2dge n ARG 84 Cb 0.17 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.06 2dge n ARG 84 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dge n ALA 85 N -3.30 2.24 0.00 7.54 0.00 -0.60 -4.82 120.51 121.58 2dge n ALA 85 Ca -0.44 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 52.76 2dge n ALA 85 Cb 0.96 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 20.17 2dge n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dge h ILE 87 N 0.00 0.45 0.00 0.00 2.10 -1.43 -0.56 117.51 118.07 2dge h ILE 87 Ca 0.00 -0.15 -0.05 0.00 1.08 0.00 0.00 64.86 65.74 2dge h ILE 87 Cb 0.84 1.10 -0.01 0.00 -1.09 0.00 0.00 36.82 37.66 2dge h ILE 87 CO 0.00 0.03 -0.26 1.23 -1.08 0.00 0.00 178.15 178.07 2dge h GLY 88 N 0.25 0.00 0.00 8.18 0.00 -1.86 -1.92 103.07 107.72 2dge h GLY 88 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 2dge h GLY 88 CO 0.00 0.00 -1.40 0.00 0.00 0.00 0.00 176.54 175.14 2dge n HIS 90 N -2.00 0.19 -1.59 0.00 8.25 -0.27 -1.73 115.22 118.08 2dge n HIS 90 Ca -0.06 -1.37 -0.47 0.00 -0.26 0.00 0.00 57.72 55.56 2dge n HIS 90 Cb 0.45 -0.26 -0.03 0.00 1.12 0.00 0.00 29.99 31.26 2dge n HIS 90 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2dge n ASP 91 N -1.17 1.40 -0.31 0.41 2.03 -0.72 -0.78 116.55 117.41 2dge n ASP 91 Ca 0.20 1.15 -0.04 0.00 0.52 0.00 0.00 54.79 56.62 2dge n ASP 91 Cb 0.74 -1.24 -0.02 0.00 -0.72 0.00 0.00 41.12 39.87 2dge n ASP 91 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2dge n THR 92 N 1.22 0.00 -0.62 5.18 -2.24 -1.26 -1.65 114.28 114.91 2dge n THR 92 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 2dge n THR 92 Cb 0.27 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 2dge n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dge n GLY 93 N 0.12 0.70 0.00 3.38 0.00 0.04 -5.01 105.19 104.43 2dge n GLY 93 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2dge n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dge n GLY 94 N -2.57 0.42 3.21 -0.02 0.00 -0.66 -0.20 105.19 105.38 2dge n GLY 94 Ca 0.00 -1.66 0.04 0.00 0.00 0.00 0.00 46.02 44.39 2dge n GLY 94 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dge s ASN 95 N -1.00 -1.23 0.14 1.61 3.84 -1.25 -4.09 114.94 112.96 2dge s ASN 95 Ca 0.00 0.89 0.27 0.00 0.21 0.00 0.00 52.86 54.23 2dge s ASN 95 Cb 0.00 2.08 0.89 0.00 -0.55 0.00 0.00 41.25 43.67 2dge s ASN 95 CO 0.00 -0.23 1.78 2.30 -2.79 0.00 0.00 177.10 178.16 2dge n ILE 96 N 5.43 0.40 0.05 -5.21 -5.35 -0.70 -4.15 119.36 109.82 2dge n ILE 96 Ca -0.03 -0.20 -0.20 0.00 -0.27 0.00 0.00 62.75 62.05 2dge n ILE 96 Cb 0.51 -0.51 -0.15 0.00 -1.74 0.00 0.00 39.64 37.76 2dge n ILE 96 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 2dge h ILE 97 N 0.00 1.49 -2.96 7.28 1.08 -1.97 -3.48 117.51 118.95 2dge h ILE 97 Ca 0.00 -2.53 -0.08 0.00 -0.39 0.00 0.00 64.86 61.86 2dge h ILE 97 Cb 0.67 3.18 -0.17 0.00 -3.07 0.00 0.00 36.82 37.43 2dge h ILE 97 CO 0.00 0.72 -0.09 0.00 -0.69 0.00 0.00 178.15 178.09 2dge s GLN 98 N -2.43 0.92 0.62 2.37 -2.07 -1.26 -5.16 119.66 112.65 2dge s GLN 98 Ca -0.14 -0.31 -0.14 0.00 -1.82 0.00 0.00 55.36 52.95 2dge s GLN 98 Cb 0.01 0.41 -0.03 0.00 -1.09 0.00 0.00 33.01 32.32 2dge s GLN 98 CO 0.83 -0.31 1.06 -1.25 -1.32 0.00 0.00 175.29 174.29 2dge s PRO 99 N -2.34 3.23 -0.52 9.60 0.04 -1.26 -4.20 135.00 139.56 2dge s PRO 99 Ca -0.06 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.11 2dge s PRO 99 Cb -0.01 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2dge s PRO 99 CO -0.01 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 176.56 2dge n GLY 100 N -1.27 0.75 2.72 0.56 0.00 -1.26 -4.91 105.19 101.79 2dge n GLY 100 Ca 0.08 -0.84 -0.06 0.00 0.00 0.00 0.00 46.02 45.20 2dge n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dge n ALA 101 N 1.09 3.11 -1.93 4.61 0.00 -1.26 -4.89 120.51 121.24 2dge n ALA 101 Ca -0.05 -3.00 -0.30 0.00 0.00 0.00 0.00 53.44 50.09 2dge n ALA 101 Cb 0.16 -0.90 0.19 0.00 0.00 0.00 0.00 19.45 18.91 2dge n ALA 101 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2dge s THR 102 N -3.49 2.00 -0.64 0.00 -4.23 -1.26 -4.70 115.64 103.31 2dge s THR 102 Ca 0.28 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 60.90 2dge s THR 102 Cb 0.40 -3.00 0.60 0.00 1.34 0.00 0.00 72.50 71.84 2dge s THR 102 CO 0.00 0.00 1.43 0.18 -0.54 0.00 0.00 174.62 175.69 2dge n LEU 103 N -3.80 4.34 -4.87 4.79 4.77 0.72 -4.17 117.00 118.78 2dge n LEU 103 Ca 0.16 -2.20 -0.31 0.00 -0.03 0.00 0.00 56.01 53.63 2dge n LEU 103 Cb 0.59 -0.61 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 2dge n LEU 103 CO 0.45 0.56 0.44 -0.36 -1.33 0.00 0.00 177.39 177.15 2dge s PHE 104 N -2.18 3.44 0.23 -1.77 0.08 -1.25 -4.38 117.98 112.15 2dge s PHE 104 Ca 0.40 1.10 -0.06 0.00 0.12 0.00 0.00 56.93 58.49 2dge s PHE 104 Cb 0.30 -2.47 0.41 0.00 -0.57 0.00 0.00 43.02 40.68 2dge s PHE 104 CO 0.14 -0.05 1.72 1.15 -0.10 0.00 0.00 175.22 178.07 2dge h THR 105 N 1.36 0.63 -0.52 0.64 2.02 -1.91 -0.63 112.91 114.49 2dge h THR 105 Ca -0.47 -0.12 0.02 0.00 0.77 0.00 0.00 66.41 66.60 2dge h THR 105 Cb 1.18 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 2dge h THR 105 CO 0.64 0.07 0.32 0.11 0.37 0.00 0.00 175.52 177.03 2dge h LYS 106 N 0.36 0.63 -0.18 6.66 1.57 -1.95 -0.18 116.57 123.48 2dge h LYS 106 Ca 0.39 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.97 2dge h LYS 106 Cb 0.59 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2dge h LYS 106 CO -0.42 0.42 -0.50 -0.44 -0.57 0.00 0.00 179.45 177.94 2dge h ASP 107 N 0.65 0.76 -0.84 0.86 3.45 -1.67 -1.43 116.42 118.20 2dge h ASP 107 Ca 0.21 -0.58 0.06 0.00 0.43 0.00 0.00 57.03 57.14 2dge h ASP 107 Cb -0.01 -0.22 -0.06 0.00 -0.56 0.00 0.00 39.33 38.48 2dge h ASP 107 CO -0.08 1.20 0.52 -0.07 -1.57 0.00 0.00 179.24 179.24 2dge h LEU 108 N 0.35 0.82 -0.25 1.55 3.38 -0.90 -0.85 115.31 119.40 2dge h LEU 108 Ca -0.01 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2dge h LEU 108 Cb 1.12 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2dge h LEU 108 CO 0.11 0.53 -0.08 -0.33 0.09 0.00 0.00 178.44 178.76 2dge h GLU 109 N 0.95 0.50 -0.91 1.13 5.08 -0.98 0.14 114.58 120.49 2dge h GLU 109 Ca 0.36 -0.20 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2dge h GLU 109 Cb 0.15 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 2dge h GLU 109 CO -0.16 0.73 0.60 -0.09 -1.00 0.00 0.00 179.01 179.09 2dge h ARG 110 N 0.24 1.17 -0.01 2.33 2.43 -0.94 -2.24 114.38 117.35 2dge h ARG 110 Ca 0.06 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2dge h ARG 110 Cb 0.56 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2dge h ARG 110 CO 0.03 0.78 -0.10 0.09 -1.51 0.00 0.00 179.97 179.26 2dge n ASN 111 N -4.41 1.13 -0.62 -3.80 4.13 -0.35 -4.93 115.26 106.41 2dge n ASN 111 Ca 0.11 -1.16 -0.07 0.00 1.68 0.00 0.00 54.58 55.14 2dge n ASN 111 Cb 0.04 0.04 -0.02 0.00 -1.54 0.00 0.00 39.78 38.29 2dge n ASN 111 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dge n GLY 112 N 1.23 0.65 2.48 7.41 0.00 -0.83 -4.94 105.19 111.19 2dge n GLY 112 Ca 0.17 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 2dge n GLY 112 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2dge n VAL 113 N -3.19 2.87 0.10 1.61 0.31 0.42 -4.76 118.33 115.69 2dge n VAL 113 Ca -0.07 -4.39 0.11 0.00 -0.01 0.00 0.00 64.34 59.98 2dge n VAL 113 Cb 0.34 -1.22 -0.11 0.00 -0.91 0.00 0.00 33.84 31.94 2dge n VAL 113 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2dge n ASP 114 N -0.60 0.31 -4.87 4.52 5.75 -1.18 -4.53 116.55 115.96 2dge n ASP 114 Ca 0.47 0.04 -0.31 0.00 -0.01 0.00 0.00 54.79 54.98 2dge n ASP 114 Cb 0.61 1.45 -0.04 0.00 -1.03 0.00 0.00 41.12 42.11 2dge n ASP 114 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2dge s THR 115 N -3.44 4.78 0.29 2.12 -4.23 -1.26 -4.97 115.64 108.94 2dge s THR 115 Ca -0.05 0.66 -0.02 0.00 -1.18 0.00 0.00 61.69 61.10 2dge s THR 115 Cb 0.13 -3.70 0.27 0.00 1.34 0.00 0.00 72.50 70.54 2dge s THR 115 CO 0.87 -0.41 1.94 -0.08 -0.54 0.00 0.00 174.62 176.40 2dge h GLU 116 N 1.58 1.12 -0.82 3.99 4.81 -1.91 -0.97 114.58 122.38 2dge h GLU 116 Ca -0.47 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 58.69 2dge h GLU 116 Cb 1.18 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 30.27 2dge h GLU 116 CO 0.65 0.74 0.53 0.93 -0.73 0.00 0.00 179.01 181.13 2dge h GLU 117 N 1.15 1.08 -0.09 1.92 3.07 -1.96 -0.80 114.58 118.96 2dge h GLU 117 Ca 0.35 -0.07 -0.19 0.00 -0.50 0.00 0.00 59.36 58.95 2dge h GLU 117 Cb -0.03 -0.24 -0.00 0.00 -0.84 0.00 0.00 28.75 27.64 2dge h GLU 117 CO -0.10 0.73 -0.73 0.93 -1.40 0.00 0.00 179.01 178.44 2dge h GLU 118 N 1.11 0.43 -0.59 2.33 4.39 -1.80 -1.69 114.58 118.77 2dge h GLU 118 Ca 0.30 -0.35 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2dge h GLU 118 Cb -0.11 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 2dge h GLU 118 CO -0.06 0.99 0.36 0.82 -1.16 0.00 0.00 179.01 179.95 2dge h ILE 119 N 0.29 1.17 -0.21 3.13 2.04 -0.95 -0.99 117.51 122.00 2dge h ILE 119 Ca -0.03 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 65.46 2dge h ILE 119 Cb 1.30 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 2dge h ILE 119 CO 0.13 0.18 0.09 0.22 0.00 0.00 0.00 178.15 178.76 2dge h TYR 120 N 0.80 0.17 -0.39 1.37 3.20 -1.00 -1.55 116.97 119.57 2dge h TYR 120 Ca 0.21 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.10 2dge h TYR 120 Cb -0.03 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 2dge h TYR 120 CO -0.02 0.09 0.24 -0.09 -1.64 0.00 0.00 178.16 176.74 2dge h ARG 121 N 0.20 0.48 -0.68 1.82 2.43 -1.05 0.67 114.38 118.25 2dge h ARG 121 Ca 0.09 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2dge h ARG 121 Cb 0.03 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 2dge h ARG 121 CO -0.07 0.32 0.41 0.28 -1.51 0.00 0.00 179.97 179.40 2dge h VAL 122 N 0.50 1.20 -0.58 0.20 2.07 -1.10 0.57 116.25 119.09 2dge h VAL 122 Ca 0.15 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 2dge h VAL 122 Cb -0.03 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 2dge h VAL 122 CO -0.05 0.20 0.09 0.74 0.02 0.00 0.00 177.57 178.57 2dge h THR 123 N 0.93 1.25 0.00 2.57 2.02 -0.90 0.15 112.91 118.93 2dge h THR 123 Ca 0.25 -0.97 -0.07 0.00 0.77 0.00 0.00 66.41 66.39 2dge h THR 123 Cb -0.03 0.71 0.01 0.00 -1.74 0.00 0.00 68.15 67.09 2dge h THR 123 CO -0.05 0.36 -0.26 0.22 0.37 0.00 0.00 175.52 176.16 2dge h TYR 124 N 0.89 0.26 0.00 3.16 3.20 -0.54 -0.38 116.97 123.55 2dge h TYR 124 Ca 0.18 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2dge h TYR 124 Cb 0.40 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.64 2dge h TYR 124 CO 0.03 0.95 -1.58 1.19 -1.64 0.00 0.00 178.16 177.10 2dge n PHE 125 N -4.50 0.00 0.00 -3.82 3.01 0.16 -1.06 117.46 111.26 2dge n PHE 125 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.36 2dge n PHE 125 Cb 0.51 -0.31 0.00 0.00 -0.01 0.00 0.00 39.48 39.67 2dge n PHE 125 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2dge n GLY 126 N 1.44 -0.95 3.57 1.37 0.00 0.53 -3.85 105.19 107.30 2dge n GLY 126 Ca -0.02 -1.66 -0.01 0.00 0.00 0.00 0.00 46.02 44.33 2dge n GLY 126 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dge s LYS 127 N -1.39 0.39 3.44 1.61 2.20 -0.63 -4.69 119.74 120.67 2dge s LYS 127 Ca 0.00 0.79 0.00 0.00 -0.36 0.00 0.00 55.97 56.40 2dge s LYS 127 Cb 0.00 0.26 0.00 0.00 -1.51 0.00 0.00 37.83 36.58 2dge s LYS 127 CO 0.00 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.30 2dge n GLY 128 N 4.29 3.06 0.00 5.54 0.00 -1.26 -0.66 105.19 116.16 2dge n GLY 128 Ca -0.15 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.12 2dge n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dge n ARG 129 N 14.00 0.44 -3.20 1.61 1.74 -1.26 -4.71 116.66 125.27 2dge n ARG 129 Ca 0.00 0.05 -0.39 0.00 -0.77 0.00 0.00 57.85 56.74 2dge n ARG 129 Cb 0.00 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 29.88 2dge n ARG 129 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 2dge s MET 130 N -2.45 4.28 0.44 5.56 1.75 0.17 -5.07 119.30 123.98 2dge s MET 130 Ca 0.26 0.55 -0.23 0.00 -1.25 0.00 0.00 55.69 55.02 2dge s MET 130 Cb 0.16 -3.51 -0.08 0.00 2.84 0.00 0.00 34.83 34.24 2dge s MET 130 CO 0.35 -0.05 1.10 -1.25 -0.65 0.00 0.00 175.02 174.53 2dge s PRO 131 N 1.28 3.90 0.40 4.11 0.04 -1.26 -1.61 135.00 141.86 2dge s PRO 131 Ca 0.28 1.61 -0.22 0.00 0.04 0.00 0.00 61.00 62.70 2dge s PRO 131 Cb -0.16 -2.40 -0.10 0.00 0.04 0.00 0.00 34.50 31.88 2dge s PRO 131 CO 0.11 -0.39 0.96 0.20 0.04 0.00 0.00 177.00 177.92 2dge s GLY 132 N -1.54 2.52 0.00 0.56 0.00 -0.24 -4.40 107.32 104.21 2dge s GLY 132 Ca 0.62 0.46 0.09 0.00 0.00 0.00 0.00 44.72 45.89 2dge s GLY 132 CO 0.29 0.79 0.74 0.69 0.00 0.00 0.00 173.10 175.62 2dge n PHE 133 N -0.32 0.00 -2.35 1.90 3.01 -0.15 -0.48 117.46 119.07 2dge n PHE 133 Ca 0.06 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.15 2dge n PHE 133 Cb 0.53 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.98 2dge n PHE 133 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2dge s GLY 134 N -0.83 2.77 0.34 1.37 0.00 -0.22 -0.44 107.32 110.30 2dge s GLY 134 Ca 0.10 0.86 0.06 0.00 0.00 0.00 0.00 44.72 45.74 2dge s GLY 134 CO 0.13 1.31 1.87 -2.09 0.00 0.00 0.00 173.10 174.32 2dge h GLU 135 N 2.22 0.76 -0.52 2.90 4.57 -1.88 -1.74 114.58 120.90 2dge h GLU 135 Ca -0.49 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 57.57 2dge h GLU 135 Cb 1.24 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 29.61 2dge h GLU 135 CO 0.61 0.50 0.07 1.63 -1.18 0.00 0.00 179.01 180.65 2dge n LYS 136 N -4.57 3.84 -1.73 1.92 5.02 -1.26 -5.00 118.16 116.38 2dge n LYS 136 Ca 0.17 -3.06 -0.42 0.00 -2.02 0.00 0.00 58.31 52.98 2dge n LYS 136 Cb 0.41 -2.11 -0.01 0.00 -0.02 0.00 0.00 35.03 33.30 2dge n LYS 136 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dge s THR 138 N -0.61 0.08 0.77 0.00 -4.23 -1.26 -4.67 115.64 105.71 2dge s THR 138 Ca 0.59 -0.62 -0.12 0.00 -1.18 0.00 0.00 61.69 60.36 2dge s THR 138 Cb -0.53 -0.83 0.05 0.00 1.34 0.00 0.00 72.50 72.53 2dge s THR 138 CO 0.57 -0.34 1.13 -2.16 -0.54 0.00 0.00 174.62 173.27 2dge s PRO 139 N -2.15 2.34 0.31 3.99 0.04 -1.26 -4.92 135.00 133.36 2dge s PRO 139 Ca -0.08 0.35 0.08 0.00 0.04 0.00 0.00 61.00 61.40 2dge s PRO 139 Cb -0.02 -1.97 0.89 0.00 0.04 0.00 0.00 34.50 33.43 2dge s PRO 139 CO -0.01 -1.38 1.68 -0.09 0.04 0.00 0.00 177.00 177.24 2dge h ARG 140 N -0.90 0.35 0.00 4.56 2.43 -1.94 -0.64 114.38 118.23 2dge h ARG 140 Ca -0.46 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 2dge h ARG 140 Cb 1.29 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2dge h ARG 140 CO 0.64 0.23 0.00 0.78 -1.51 0.00 0.00 179.97 180.11 2dge h GLY 141 N 0.36 0.00 -1.71 2.80 0.00 -1.97 -2.67 103.07 99.87 2dge h GLY 141 Ca 0.64 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.97 2dge h GLY 141 CO -0.58 0.00 0.00 -0.18 0.00 0.00 0.00 176.54 175.78 2dge n GLN 142 N -2.60 2.22 -4.44 4.80 -0.06 -0.25 -4.97 117.38 112.08 2dge n GLN 142 Ca 0.02 -1.81 -0.23 0.00 -2.00 0.00 0.00 57.00 52.98 2dge n GLN 142 Cb 0.29 -1.47 -0.10 0.00 -4.06 0.00 0.00 30.24 24.90 2dge n GLN 142 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2dge s THR 144 N -2.54 2.41 -2.16 0.00 -1.32 0.37 -4.74 115.64 107.66 2dge s THR 144 Ca 0.28 0.27 0.20 0.00 -1.21 0.00 0.00 61.69 61.22 2dge s THR 144 Cb -0.04 -3.11 0.07 0.00 -1.51 0.00 0.00 72.50 67.91 2dge s THR 144 CO 0.13 -0.04 1.06 0.49 -2.21 0.00 0.00 174.62 174.05 2dge n PHE 145 N -1.49 0.00 -1.82 9.09 3.01 -1.26 -4.95 117.46 120.04 2dge n PHE 145 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.59 2dge n PHE 145 Cb 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.95 2dge n PHE 145 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2dge n GLY 146 N 1.23 0.98 3.74 1.37 0.00 -1.26 -5.04 105.19 106.21 2dge n GLY 146 Ca 0.10 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 2dge n GLY 146 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2dge s PRO 147 N -0.07 4.13 0.48 1.61 0.02 -1.26 -5.00 135.00 134.92 2dge s PRO 147 Ca 0.00 2.56 -0.05 0.00 0.02 0.00 0.00 61.00 63.54 2dge s PRO 147 Cb 0.00 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 31.44 2dge s PRO 147 CO 0.00 -0.66 0.77 1.03 -0.33 0.00 0.00 177.00 177.81 2dge s ARG 148 N 0.16 3.47 0.05 5.54 0.52 -1.26 -5.03 118.95 122.39 2dge s ARG 148 Ca 0.67 0.12 0.01 0.00 -0.52 0.00 0.00 55.73 56.00 2dge s ARG 148 Cb -0.48 -2.40 -0.04 0.00 0.52 0.00 0.00 34.95 32.56 2dge s ARG 148 CO 0.41 -0.22 0.15 -0.51 0.02 0.00 0.00 175.30 175.15 2dge s LEU 149 N -4.72 4.14 0.61 2.53 1.43 0.41 -4.94 118.68 118.14 2dge s LEU 149 Ca 0.47 0.18 -0.15 0.00 -1.03 0.00 0.00 54.13 53.60 2dge s LEU 149 Cb -0.10 -2.69 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 2dge s LEU 149 CO 0.44 0.19 1.06 -1.10 0.23 0.00 0.00 176.35 177.18 2dge s GLN 150 N -2.31 3.23 0.24 1.70 -1.52 -1.26 -3.34 119.66 116.39 2dge s GLN 150 Ca 0.31 1.19 -0.06 0.00 -1.95 0.00 0.00 55.36 54.85 2dge s GLN 150 Cb -0.13 -2.02 0.42 0.00 -0.22 0.00 0.00 33.01 31.06 2dge s GLN 150 CO 0.23 -0.88 1.70 -0.44 -0.25 0.00 0.00 175.29 175.65 2dge h ASP 151 N 0.27 0.09 -0.01 5.90 3.45 -1.99 -0.55 116.42 123.58 2dge h ASP 151 Ca -0.46 0.13 -0.04 0.00 0.43 0.00 0.00 57.03 57.09 2dge h ASP 151 Cb 1.22 0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 40.13 2dge h ASP 151 CO 0.57 0.02 -0.07 -0.08 -1.57 0.00 0.00 179.24 178.10 2dge h GLU 152 N 0.32 0.22 -0.24 3.56 4.22 -1.99 0.10 114.58 120.76 2dge h GLU 152 Ca 0.39 -0.04 -0.18 0.00 0.08 0.00 0.00 59.36 59.61 2dge h GLU 152 Cb 0.62 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2dge h GLU 152 CO -0.45 0.31 -0.56 0.93 -2.18 0.00 0.00 179.01 177.06 2dge h GLU 153 N 0.21 0.80 -0.27 1.92 5.08 -1.53 -1.97 114.58 118.82 2dge h GLU 153 Ca 0.05 -0.54 -0.12 0.00 -1.00 0.00 0.00 59.36 57.74 2dge h GLU 153 Cb 0.27 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2dge h GLU 153 CO 0.01 1.17 -0.34 0.82 -1.00 0.00 0.00 179.01 179.67 2dge h ILE 154 N 0.55 1.29 -0.46 3.13 2.04 -0.72 -0.69 117.51 122.66 2dge h ILE 154 Ca -0.00 -1.48 0.03 0.00 1.00 0.00 0.00 64.86 64.41 2dge h ILE 154 Cb 1.17 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 38.67 2dge h ILE 154 CO 0.12 0.47 0.24 0.50 0.00 0.00 0.00 178.15 179.48 2dge h LYS 155 N 0.51 0.46 -0.59 2.37 3.64 -0.93 0.26 116.57 122.29 2dge h LYS 155 Ca 0.05 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 2dge h LYS 155 Cb 0.84 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 2dge h LYS 155 CO 0.07 0.31 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.47 2dge h LEU 156 N 0.48 1.02 -0.69 5.20 3.38 -1.09 -1.49 115.31 122.12 2dge h LEU 156 Ca 0.19 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 2dge h LEU 156 Cb 0.08 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2dge h LEU 156 CO -0.12 1.08 0.26 -0.07 0.09 0.00 0.00 178.44 179.68 2dge h LEU 157 N 0.95 0.96 -0.71 1.67 3.38 -0.84 0.57 115.31 121.30 2dge h LEU 157 Ca 0.17 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2dge h LEU 157 Cb 0.57 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2dge h LEU 157 CO 0.03 0.88 -0.04 0.00 0.09 0.00 0.00 178.44 179.41 2dge h ALA 158 N 1.12 0.91 -0.53 1.53 0.00 -0.66 -0.56 119.26 121.07 2dge h ALA 158 Ca 0.23 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2dge h ALA 158 Cb 0.23 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2dge h ALA 158 CO -0.02 0.64 0.30 1.49 0.00 0.00 0.00 179.25 181.66 2dge h GLU 159 N 0.88 0.73 -0.09 0.00 4.81 -1.07 -0.84 114.58 118.99 2dge h GLU 159 Ca 0.15 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2dge h GLU 159 Cb 0.56 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 2dge h GLU 159 CO 0.03 0.55 0.05 0.35 -0.73 0.00 0.00 179.01 179.26 2dge h PHE 160 N 0.70 0.12 -0.25 0.92 3.57 -0.43 0.60 116.94 122.17 2dge h PHE 160 Ca 0.19 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 2dge h PHE 160 Cb 0.03 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2dge h PHE 160 CO -0.02 0.17 0.07 0.28 -2.23 0.00 0.00 178.31 176.58 2dge h VAL 161 N 0.04 1.20 -0.27 1.41 2.07 -1.05 -0.34 116.25 119.32 2dge h VAL 161 Ca 0.03 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 66.90 2dge h VAL 161 Cb 0.09 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2dge h VAL 161 CO -0.00 0.21 0.17 0.50 0.02 0.00 0.00 177.57 178.47 2dge h LYS 162 N 0.23 0.34 0.16 1.57 1.63 -1.02 0.10 116.57 119.58 2dge h LYS 162 Ca 0.08 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 2dge h LYS 162 Cb 0.26 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 2dge h LYS 162 CO -0.00 0.22 -0.08 0.35 -3.45 0.00 0.00 179.45 176.50 2dge h PHE 163 N 0.35 -0.19 -0.57 1.91 3.57 -0.78 -0.84 116.94 120.39 2dge h PHE 163 Ca 0.10 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 2dge h PHE 163 Cb -0.02 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 2dge h PHE 163 CO -0.07 -0.11 0.35 1.96 -2.23 0.00 0.00 178.31 178.22 2dge h GLN 164 N -0.23 0.77 -0.31 1.11 1.08 -0.89 -0.54 115.11 116.10 2dge h GLN 164 Ca -0.02 -0.06 0.04 0.00 -1.45 0.00 0.00 58.65 57.15 2dge h GLN 164 Cb 0.17 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 2dge h GLN 164 CO 0.04 0.54 0.10 0.00 -0.95 0.00 0.00 178.83 178.56 2dge h ALA 165 N 1.18 0.35 -0.72 3.87 0.00 -0.73 0.23 119.26 123.43 2dge h ALA 165 Ca 0.20 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.21 2dge h ALA 165 Cb -0.03 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2dge h ALA 165 CO -0.04 -0.30 0.48 -0.44 0.00 0.00 0.00 179.25 178.94 2dge h ASP 166 N 0.23 0.69 0.13 0.00 3.45 -0.55 -2.09 116.42 118.29 2dge h ASP 166 Ca 0.14 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.60 2dge h ASP 166 Cb 0.12 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 38.74 2dge h ASP 166 CO -0.15 0.46 -0.18 0.00 -1.57 0.00 0.00 179.24 177.80 2dge n GLN 167 N -4.47 1.17 -2.09 3.56 1.13 -0.27 -4.95 117.38 111.46 2dge n GLN 167 Ca 0.10 -0.72 -0.05 0.00 -1.94 0.00 0.00 57.00 54.39 2dge n GLN 167 Cb 0.19 -1.49 -0.00 0.00 0.11 0.00 0.00 30.24 29.05 2dge n GLN 167 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2dge n GLY 168 N 1.29 0.18 3.45 1.08 0.00 -0.08 -4.21 105.19 106.91 2dge n GLY 168 Ca 0.14 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 2dge n GLY 168 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2dge n TRP 169 N -4.00 -2.21 -1.42 1.61 7.02 0.61 -5.00 117.44 114.04 2dge n TRP 169 Ca -0.06 0.69 -0.30 0.00 -1.02 0.00 0.00 57.50 56.82 2dge n TRP 169 Cb 0.54 -3.88 0.12 0.00 -2.42 0.00 0.00 31.31 25.67 2dge n TRP 169 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 2dge s PRO 170 N -5.13 1.59 0.35 -0.99 0.04 -1.26 -4.98 135.00 124.62 2dge s PRO 170 Ca 0.44 0.63 -0.28 0.00 0.04 0.00 0.00 61.00 61.83 2dge s PRO 170 Cb -0.10 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 2dge s PRO 170 CO 0.79 -1.96 1.27 0.95 0.04 0.00 0.00 177.00 178.09 2dge s THR 171 N -3.10 2.81 0.00 1.26 -4.23 -1.26 -5.10 115.64 106.03 2dge s THR 171 Ca 0.62 0.79 0.00 0.00 -1.18 0.00 0.00 61.69 61.92 2dge s THR 171 Cb -0.16 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.19 2dge s THR 171 CO 0.55 0.17 0.00 0.52 -0.54 0.00 0.00 174.62 175.32