#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 3.61 0.25 -0.39 -4.23 -1.26 -4.94 115.64 108.68 2dge s THR 72 Ca 0.00 -0.42 -0.06 0.00 -1.18 0.00 0.00 61.69 60.02 2dge s THR 72 Cb 0.00 -3.36 0.26 0.00 1.34 0.00 0.00 72.50 70.73 2dge s THR 72 CO 0.00 -0.28 1.93 -0.07 -0.54 0.00 0.00 174.62 175.65 2dge h LEU 73 N 0.19 1.15 -0.68 4.79 3.38 -2.05 -1.20 115.31 120.88 2dge h LEU 73 Ca -0.45 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 2dge h LEU 73 Cb 1.26 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 2dge h LEU 73 CO 0.57 0.83 0.23 0.44 0.09 0.00 0.00 178.44 180.60 2dge h ASP 74 N 1.35 0.98 -0.41 -0.43 5.19 -1.99 -0.81 116.42 120.30 2dge h ASP 74 Ca 0.37 -0.20 -0.10 0.00 -0.62 0.00 0.00 57.03 56.48 2dge h ASP 74 Cb -0.15 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.09 2dge h ASP 74 CO -0.08 0.92 -0.14 0.40 -3.12 0.00 0.00 179.24 177.22 2dge h ILE 75 N 0.99 1.28 -0.50 0.35 1.08 -1.87 0.32 117.51 119.16 2dge h ILE 75 Ca 0.22 -1.26 0.05 0.00 -0.39 0.00 0.00 64.86 63.48 2dge h ILE 75 Cb 0.28 1.23 -0.05 0.00 -3.07 0.00 0.00 36.82 35.22 2dge h ILE 75 CO -0.01 0.42 0.24 1.56 -0.69 0.00 0.00 178.15 179.68 2dge h GLN 76 N 0.63 0.46 -0.52 2.37 4.20 -0.95 0.66 115.11 121.97 2dge h GLN 76 Ca 0.10 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.66 2dge h GLN 76 Cb 0.68 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 2dge h GLN 76 CO 0.05 0.31 -0.14 -0.09 -0.67 0.00 0.00 178.83 178.29 2dge h ARG 77 N 0.48 1.01 -0.52 1.46 9.65 -1.05 -1.91 114.38 123.50 2dge h ARG 77 Ca 0.22 -0.39 0.07 0.00 -1.10 0.00 0.00 59.98 58.78 2dge h ARG 77 Cb 0.15 -0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 28.62 2dge h ARG 77 CO -0.17 1.08 0.20 0.78 2.80 0.00 0.00 179.97 184.67 2dge h GLY 78 N 0.88 0.71 1.01 2.80 0.00 -0.36 -1.18 103.07 106.94 2dge h GLY 78 Ca 0.13 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 2dge h GLY 78 CO 0.05 0.03 0.27 0.00 0.00 0.00 0.00 176.54 176.89 2dge h ALA 79 N 1.34 0.85 -0.23 3.60 0.00 -0.64 -0.22 119.26 123.95 2dge h ALA 79 Ca 0.25 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2dge h ALA 79 Cb 0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2dge h ALA 79 CO -0.24 0.46 0.14 1.15 0.00 0.00 0.00 179.25 180.76 2dge h THR 80 N 0.92 1.03 -0.61 0.00 2.02 -0.84 -0.55 112.91 114.88 2dge h THR 80 Ca 0.22 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.25 2dge h THR 80 Cb 0.20 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 2dge h THR 80 CO -0.02 0.05 0.18 -0.07 0.37 0.00 0.00 175.52 176.04 2dge h LEU 81 N 0.28 0.86 -0.42 2.58 3.38 -0.97 -2.40 115.31 118.62 2dge h LEU 81 Ca 0.09 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 2dge h LEU 81 Cb -0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2dge h LEU 81 CO -0.04 0.81 0.01 0.15 0.09 0.00 0.00 178.44 179.46 2dge h PHE 82 N 0.90 0.81 0.00 1.13 3.57 -0.64 -0.33 116.94 122.37 2dge h PHE 82 Ca 0.20 -0.14 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 2dge h PHE 82 Cb 0.27 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 2dge h PHE 82 CO 0.02 0.80 -0.18 -0.91 -2.23 0.00 0.00 178.31 175.81 2dge h ASN 83 N 0.58 0.00 0.37 0.41 -0.26 -0.93 0.98 115.58 116.73 2dge h ASN 83 Ca 0.12 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 55.54 2dge h ASN 83 Cb 0.48 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.75 2dge h ASN 83 CO 0.02 0.18 -1.49 0.03 -1.06 0.00 0.00 177.43 175.11 2dge h ARG 84 N 0.00 0.39 0.00 0.81 3.08 -0.96 -3.42 114.38 114.28 2dge h ARG 84 Ca -0.00 -0.67 0.00 0.00 0.07 0.00 0.00 59.98 59.38 2dge h ARG 84 Cb 0.39 0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.69 2dge h ARG 84 CO 0.02 1.30 -0.86 0.00 -1.07 0.00 0.00 179.97 179.37 2dge n ALA 85 N -2.69 2.10 0.00 0.04 0.00 -0.18 -4.87 120.51 114.91 2dge n ALA 85 Ca -0.16 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2dge n ALA 85 Cb 1.07 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.46 2dge n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dge n ILE 87 N -1.55 0.70 -0.05 0.00 -5.35 -1.04 -1.20 119.36 110.88 2dge n ILE 87 Ca 0.00 0.08 0.07 0.00 -0.27 0.00 0.00 62.75 62.63 2dge n ILE 87 Cb 0.12 -0.90 0.44 0.00 -1.74 0.00 0.00 39.64 37.55 2dge n ILE 87 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 2dge h GLY 88 N 3.21 0.63 0.00 3.28 0.00 -1.89 -2.99 103.07 105.31 2dge h GLY 88 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 2dge h GLY 88 CO 0.00 0.17 -1.11 0.00 0.00 0.00 0.00 176.54 175.61 2dge n HIS 90 N -1.64 0.09 -1.67 0.00 8.25 -0.34 -1.96 115.22 117.94 2dge n HIS 90 Ca -0.01 -1.30 -0.44 0.00 -0.26 0.00 0.00 57.72 55.71 2dge n HIS 90 Cb 0.13 -0.23 -0.02 0.00 1.12 0.00 0.00 29.99 30.99 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 -0.74 2.62 -2.03 0.41 2.03 -1.13 -1.04 116.55 116.67 2dge n ASP 91 Ca 0.17 1.16 -0.13 0.00 0.52 0.00 0.00 54.79 56.51 2dge n ASP 91 Cb 0.80 -1.43 -0.03 0.00 -0.72 0.00 0.00 41.12 39.75 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 1.37 -0.39 -0.66 5.18 -2.24 -1.26 -2.02 114.28 114.26 2dge n THR 92 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2dge n THR 92 Cb 0.33 -1.65 0.00 0.00 -2.10 0.00 0.00 70.33 66.90 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 -0.61 0.75 0.00 3.38 0.00 -0.21 -4.99 105.19 103.53 2dge n GLY 93 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.31 -0.11 2.96 -0.02 0.00 -0.85 -0.07 105.19 104.79 2dge n GLY 94 Ca 0.00 -1.76 -0.06 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.07 0.26 1.61 3.84 -1.25 -4.11 114.94 114.22 2dge s ASN 95 Ca 0.00 0.09 0.25 0.00 0.21 0.00 0.00 52.86 53.41 2dge s ASN 95 Cb 0.00 1.32 0.90 0.00 -0.55 0.00 0.00 41.25 42.93 2dge s ASN 95 CO 0.00 -0.31 1.75 0.16 -2.79 0.00 0.00 177.10 175.91 2dge h ILE 96 N 6.14 0.00 0.00 -5.21 3.07 -1.76 -3.31 117.51 116.44 2dge h ILE 96 Ca -0.15 -0.39 -0.42 0.00 1.55 0.00 0.00 64.86 65.45 2dge h ILE 96 Cb 1.15 1.26 -0.07 0.00 -0.27 0.00 0.00 36.82 38.89 2dge h ILE 96 CO 0.26 0.00 -2.41 -0.38 -1.05 0.00 0.00 178.15 174.57 2dge n ILE 97 N -2.34 1.53 -4.01 0.16 5.41 -1.26 -4.91 119.36 113.94 2dge n ILE 97 Ca 0.04 -0.42 -0.32 0.00 1.00 0.00 0.00 62.75 63.05 2dge n ILE 97 Cb 0.33 -1.76 -0.15 0.00 -0.71 0.00 0.00 39.64 37.36 2dge n ILE 97 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 2dge s GLN 98 N -2.50 1.76 0.35 0.38 2.00 -1.25 -5.10 119.66 115.30 2dge s GLN 98 Ca -0.36 -1.71 -0.27 0.00 -2.00 0.00 0.00 55.36 51.01 2dge s GLN 98 Cb 0.12 -3.16 -0.12 0.00 0.80 0.00 0.00 33.01 30.65 2dge s GLN 98 CO 0.54 -0.84 1.18 -2.30 -0.50 0.00 0.00 175.29 173.37 2dge n PRO 99 N 4.34 1.81 -0.97 1.67 -0.02 -1.26 -2.11 135.00 138.46 2dge n PRO 99 Ca -0.02 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2dge n PRO 99 Cb 0.42 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 2dge n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dge n GLY 100 N 0.94 0.48 2.09 -1.23 0.00 -1.26 -4.89 105.19 101.32 2dge n GLY 100 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 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 1.00 4.67 -1.26 4.61 0.00 -0.90 -4.73 120.51 123.89 2dge n ALA 101 Ca 0.00 -3.64 -0.30 0.00 0.00 0.00 0.00 53.44 49.50 2dge n ALA 101 Cb 0.09 -0.39 0.24 0.00 0.00 0.00 0.00 19.45 19.38 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 -4.45 1.65 -1.03 0.00 -4.23 -1.26 -4.71 115.64 101.61 2dge s THR 102 Ca 0.48 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 61.11 2dge s THR 102 Cb 0.40 -2.60 0.57 0.00 1.34 0.00 0.00 72.50 72.20 2dge s THR 102 CO 0.03 0.00 1.42 0.18 -0.54 0.00 0.00 174.62 175.71 2dge n LEU 103 N -4.60 3.94 -4.86 4.79 4.77 0.90 -4.17 117.00 117.77 2dge n LEU 103 Ca 0.15 -1.99 -0.31 0.00 -0.03 0.00 0.00 56.01 53.82 2dge n LEU 103 Cb 0.60 -0.54 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 2dge n LEU 103 CO 0.44 0.61 0.54 -0.36 -1.33 0.00 0.00 177.39 177.29 2dge s PHE 104 N -1.91 3.46 0.21 -1.77 0.08 -1.25 -4.44 117.98 112.35 2dge s PHE 104 Ca 0.39 1.24 -0.11 0.00 0.12 0.00 0.00 56.93 58.58 2dge s PHE 104 Cb 0.27 -2.60 0.28 0.00 -0.57 0.00 0.00 43.02 40.40 2dge s PHE 104 CO 0.17 -0.21 1.69 1.15 -0.10 0.00 0.00 175.22 177.92 2dge h THR 105 N 1.08 0.59 -0.62 0.64 2.02 -1.92 -1.44 112.91 113.26 2dge h THR 105 Ca -0.47 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 2dge h THR 105 Cb 1.19 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 2dge h THR 105 CO 0.63 0.04 0.36 0.11 0.37 0.00 0.00 175.52 177.02 2dge h LYS 106 N 0.20 0.86 -0.25 6.66 1.57 -1.96 -0.64 116.57 123.00 2dge h LYS 106 Ca 0.31 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.95 2dge h LYS 106 Cb 0.48 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2dge h LYS 106 CO -0.44 0.63 -0.06 -0.44 -0.57 0.00 0.00 179.45 178.57 2dge h ASP 107 N 0.84 0.49 -0.78 0.86 3.45 -1.71 -1.99 116.42 117.58 2dge h ASP 107 Ca 0.22 -0.37 0.11 0.00 0.43 0.00 0.00 57.03 57.42 2dge h ASP 107 Cb 0.01 -0.13 -0.08 0.00 -0.56 0.00 0.00 39.33 38.57 2dge h ASP 107 CO -0.04 0.74 0.40 -0.07 -1.57 0.00 0.00 179.24 178.70 2dge h LEU 108 N 0.23 0.53 -0.20 1.55 3.38 -1.02 -1.75 115.31 118.02 2dge h LEU 108 Ca 0.06 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2dge h LEU 108 Cb 0.53 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2dge h LEU 108 CO 0.03 0.28 0.00 -0.33 0.09 0.00 0.00 178.44 178.51 2dge h GLU 109 N 0.65 0.35 -0.30 1.13 5.08 -1.05 0.12 114.58 120.55 2dge h GLU 109 Ca 0.39 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.66 2dge h GLU 109 Cb 0.44 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2dge h GLU 109 CO -0.29 0.55 0.20 0.00 -1.00 0.00 0.00 179.01 178.47 2dge h ARG 110 N 0.11 0.31 -0.02 2.33 3.08 -0.97 -2.11 114.38 117.10 2dge h ARG 110 Ca 0.06 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2dge h ARG 110 Cb 0.39 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2dge h ARG 110 CO 0.01 0.20 -0.16 0.09 -1.07 0.00 0.00 179.97 179.05 2dge n ASN 111 N -4.49 2.12 -0.33 7.04 4.13 -0.69 -4.96 115.26 118.08 2dge n ASN 111 Ca 0.02 -1.60 -0.04 0.00 1.68 0.00 0.00 54.58 54.64 2dge n ASN 111 Cb 0.14 0.14 -0.01 0.00 -1.54 0.00 0.00 39.78 38.50 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 1.33 0.61 2.46 7.41 0.00 -0.79 -4.95 105.19 111.25 2dge n GLY 112 Ca 0.14 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.07 2.70 0.32 1.61 0.31 0.35 -4.76 118.33 115.80 2dge n VAL 113 Ca -0.04 -4.55 0.11 0.00 -0.01 0.00 0.00 64.34 59.84 2dge n VAL 113 Cb 0.20 -1.23 -0.11 0.00 -0.91 0.00 0.00 33.84 31.78 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 -0.57 0.39 -4.82 4.52 5.75 -1.18 -4.58 116.55 116.06 2dge n ASP 114 Ca 0.44 -0.23 -0.34 0.00 -0.01 0.00 0.00 54.79 54.65 2dge n ASP 114 Cb 0.65 1.45 -0.06 0.00 -1.03 0.00 0.00 41.12 42.13 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 -3.34 4.54 0.36 2.12 -4.23 -1.26 -4.97 115.64 108.85 2dge s THR 115 Ca -0.02 1.26 0.03 0.00 -1.18 0.00 0.00 61.69 61.79 2dge s THR 115 Cb 0.14 -3.75 0.24 0.00 1.34 0.00 0.00 72.50 70.47 2dge s THR 115 CO 0.87 -0.02 1.99 -0.08 -0.54 0.00 0.00 174.62 176.85 2dge h GLU 116 N 2.76 0.74 -0.84 3.99 4.81 -1.91 -1.09 114.58 123.03 2dge h GLU 116 Ca -0.48 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 58.69 2dge h GLU 116 Cb 1.18 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.37 2dge h GLU 116 CO 0.65 0.53 0.52 0.93 -0.73 0.00 0.00 179.01 180.91 2dge h GLU 117 N 0.76 1.14 -0.10 1.92 3.07 -1.96 -1.13 114.58 118.27 2dge h GLU 117 Ca 0.20 -0.09 -0.19 0.00 -0.50 0.00 0.00 59.36 58.78 2dge h GLU 117 Cb -0.02 -0.24 -0.00 0.00 -0.84 0.00 0.00 28.75 27.65 2dge h GLU 117 CO -0.04 0.78 -0.72 1.49 -1.40 0.00 0.00 179.01 179.13 2dge h GLU 118 N 1.15 0.48 -0.73 2.33 4.57 -1.71 -1.96 114.58 118.71 2dge h GLU 118 Ca 0.30 -0.38 0.02 0.00 -1.18 0.00 0.00 59.36 58.12 2dge h GLU 118 Cb -0.07 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.55 2dge h GLU 118 CO -0.06 1.01 0.47 0.82 -1.18 0.00 0.00 179.01 180.08 2dge h ILE 119 N 0.33 1.15 -0.22 2.32 2.04 -1.02 0.00 117.51 122.12 2dge h ILE 119 Ca -0.03 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 65.53 2dge h ILE 119 Cb 1.30 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 2dge h ILE 119 CO 0.13 0.17 0.05 0.22 0.00 0.00 0.00 178.15 178.72 2dge h TYR 120 N 0.95 0.08 -0.42 1.37 3.20 -1.05 -0.84 116.97 120.26 2dge h TYR 120 Ca 0.28 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.17 2dge h TYR 120 Cb -0.06 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.18 2dge h TYR 120 CO -0.03 0.03 0.26 0.00 -1.64 0.00 0.00 178.16 176.78 2dge h ARG 121 N 0.13 0.51 -0.63 1.82 3.08 -0.85 0.11 114.38 118.56 2dge h ARG 121 Ca 0.10 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 2dge h ARG 121 Cb 0.09 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 2dge h ARG 121 CO -0.13 0.34 0.38 0.28 -1.07 0.00 0.00 179.97 179.77 2dge h VAL 122 N 0.52 1.18 -0.55 2.04 2.07 -0.87 0.22 116.25 120.87 2dge h VAL 122 Ca 0.16 -0.39 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 2dge h VAL 122 Cb -0.02 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 2dge h VAL 122 CO -0.06 0.19 -0.02 0.74 0.02 0.00 0.00 177.57 178.43 2dge h THR 123 N 0.85 1.26 -0.00 2.57 2.02 -0.67 0.10 112.91 119.03 2dge h THR 123 Ca 0.23 -1.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.28 2dge h THR 123 Cb -0.03 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 2dge h THR 123 CO -0.04 0.40 -0.02 0.22 0.37 0.00 0.00 175.52 176.45 2dge h TYR 124 N 0.87 0.02 0.00 3.16 3.20 -0.51 -0.52 116.97 123.20 2dge h TYR 124 Ca 0.16 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.02 2dge h TYR 124 Cb 0.54 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.80 2dge h TYR 124 CO 0.03 0.70 -1.55 1.19 -1.64 0.00 0.00 178.16 176.89 2dge n PHE 125 N -4.74 0.05 0.00 -3.82 3.01 0.04 -0.85 117.46 111.15 2dge n PHE 125 Ca -0.09 0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.38 2dge n PHE 125 Cb 0.35 -0.34 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 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 1.35 -0.96 3.60 1.37 0.00 0.35 -4.03 105.19 106.86 2dge n GLY 126 Ca -0.01 -1.66 -0.02 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 -1.59 0.53 6.63 1.61 2.20 -0.80 -4.66 119.74 123.67 2dge s LYS 127 Ca 0.00 1.16 0.00 0.00 -0.36 0.00 0.00 55.97 56.77 2dge s LYS 127 Cb 0.00 0.51 0.00 0.00 -1.51 0.00 0.00 37.83 36.83 2dge s LYS 127 CO 0.00 -0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.25 2dge n GLY 128 N 4.85 3.81 0.08 5.54 0.00 -1.26 -0.84 105.19 117.36 2dge n GLY 128 Ca -0.14 0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.11 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 0.48 -2.55 1.61 1.74 -1.26 -4.80 116.66 125.88 2dge n ARG 129 Ca 0.00 -0.15 -0.42 0.00 -0.77 0.00 0.00 57.85 56.51 2dge n ARG 129 Cb 0.00 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.92 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 -2.63 4.43 0.43 5.56 1.75 -0.02 -5.02 119.30 123.81 2dge s MET 130 Ca 0.24 1.59 -0.25 0.00 -1.25 0.00 0.00 55.69 56.03 2dge s MET 130 Cb 0.20 -3.48 -0.08 0.00 2.84 0.00 0.00 34.83 34.31 2dge s MET 130 CO 0.51 -0.28 1.27 -1.25 -0.65 0.00 0.00 175.02 174.62 2dge s PRO 131 N 1.59 3.83 0.40 4.11 0.04 -1.26 -1.91 135.00 141.81 2dge s PRO 131 Ca 0.54 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 63.50 2dge s PRO 131 Cb -0.24 -2.62 -0.08 0.00 0.04 0.00 0.00 34.50 31.61 2dge s PRO 131 CO 0.25 -0.57 0.81 0.20 0.04 0.00 0.00 177.00 177.73 2dge s GLY 132 N -0.94 2.10 0.00 0.56 0.00 -0.47 -4.33 107.32 104.25 2dge s GLY 132 Ca 0.60 -0.03 0.05 0.00 0.00 0.00 0.00 44.72 45.34 2dge s GLY 132 CO 0.45 0.19 0.39 0.69 0.00 0.00 0.00 173.10 174.82 2dge n PHE 133 N -1.05 0.00 -2.16 1.90 3.01 -0.20 -0.61 117.46 118.35 2dge n PHE 133 Ca 0.04 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.17 2dge n PHE 133 Cb 0.54 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.01 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 -1.04 2.25 0.25 1.37 0.00 -0.03 -0.52 107.32 109.60 2dge s GLY 134 Ca 0.04 0.48 -0.03 0.00 0.00 0.00 0.00 44.72 45.21 2dge s GLY 134 CO 0.14 0.80 1.74 -2.09 0.00 0.00 0.00 173.10 173.69 2dge h GLU 135 N 0.72 0.47 -0.55 2.90 4.57 -1.88 -2.38 114.58 118.44 2dge h GLU 135 Ca -0.48 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 2dge h GLU 135 Cb 1.22 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 2dge h GLU 135 CO 0.58 0.31 0.00 1.63 -1.18 0.00 0.00 179.01 180.35 2dge n LYS 136 N -4.97 4.69 -1.92 1.92 5.02 -1.26 -4.93 118.16 116.71 2dge n LYS 136 Ca 0.16 -3.13 -0.40 0.00 -2.02 0.00 0.00 58.31 52.92 2dge n LYS 136 Cb 0.44 -2.22 0.01 0.00 -0.02 0.00 0.00 35.03 33.24 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 -1.24 0.00 1.01 0.00 -1.32 -1.26 -4.71 115.64 108.12 2dge s THR 138 Ca 0.60 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.93 2dge s THR 138 Cb -0.41 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 69.78 2dge s THR 138 CO 0.52 0.00 1.14 -2.84 -2.21 0.00 0.00 174.62 171.23 2dge s PRO 139 N -1.27 0.31 0.55 7.08 0.02 -1.26 -4.84 135.00 135.58 2dge s PRO 139 Ca -0.05 0.20 0.26 0.00 0.02 0.00 0.00 61.00 61.43 2dge s PRO 139 Cb -0.00 -1.75 1.46 0.00 0.02 0.00 0.00 34.50 34.22 2dge s PRO 139 CO 0.04 -2.74 2.00 0.00 -0.33 0.00 0.00 177.00 175.97 2dge h ARG 140 N -1.89 0.00 0.00 5.54 2.47 -1.94 0.40 114.38 118.96 2dge h ARG 140 Ca -0.50 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.22 2dge h ARG 140 Cb 1.32 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.64 2dge h ARG 140 CO 0.52 0.00 0.00 0.78 0.56 0.00 0.00 179.97 181.83 2dge h GLY 141 N 0.00 0.00 -0.82 0.04 0.00 -1.97 -2.24 103.07 98.08 2dge h GLY 141 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2dge h GLY 141 CO -0.00 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.48 2dge n GLN 142 N -2.70 1.81 -4.43 4.80 6.02 0.13 -4.97 117.38 118.04 2dge n GLN 142 Ca 0.02 -1.19 -0.22 0.00 -0.01 0.00 0.00 57.00 55.60 2dge n GLN 142 Cb 0.31 -1.47 -0.10 0.00 1.02 0.00 0.00 30.24 30.01 2dge n GLN 142 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2dge n THR 144 N -0.55 2.38 0.14 0.00 5.66 0.21 -4.75 114.28 117.36 2dge n THR 144 Ca -0.06 -0.50 -0.01 0.00 -3.05 0.00 0.00 64.05 60.43 2dge n THR 144 Cb 0.61 -1.66 0.19 0.00 -1.55 0.00 0.00 70.33 67.92 2dge n THR 144 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 175.07 171.76 2dge h PHE 145 N 2.34 0.02 -2.54 1.09 0.05 -1.91 -3.46 116.94 112.53 2dge h PHE 145 Ca -0.48 -0.01 -0.15 0.00 3.82 0.00 0.00 57.97 61.15 2dge h PHE 145 Cb 1.28 -0.00 0.07 0.00 2.00 0.00 0.00 35.95 39.29 2dge h PHE 145 CO 0.49 0.60 0.12 0.41 -0.18 0.00 0.00 178.31 179.76 2dge n GLY 146 N 0.15 -1.59 3.76 -1.45 0.00 -1.26 -5.00 105.19 99.81 2dge n GLY 146 Ca -0.01 -1.63 -0.40 0.00 0.00 0.00 0.00 46.02 43.98 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 -4.01 3.61 0.39 1.61 0.02 -1.26 -4.97 135.00 130.38 2dge s PRO 147 Ca 0.27 2.41 -0.25 0.00 0.02 0.00 0.00 61.00 63.44 2dge s PRO 147 Cb -0.01 -2.61 -0.09 0.00 0.02 0.00 0.00 34.50 31.82 2dge s PRO 147 CO 0.19 -0.87 1.12 1.03 -0.33 0.00 0.00 177.00 178.14 2dge s ARG 148 N -2.51 4.15 0.36 5.54 1.81 -1.26 -5.02 118.95 122.01 2dge s ARG 148 Ca 0.62 1.72 -0.15 0.00 -1.72 0.00 0.00 55.73 56.20 2dge s ARG 148 Cb -0.44 -2.68 -0.09 0.00 -0.45 0.00 0.00 34.95 31.30 2dge s ARG 148 CO 0.56 -0.20 0.78 -0.51 -0.68 0.00 0.00 175.30 175.24 2dge s LEU 149 N -2.44 4.00 0.65 2.53 1.43 0.32 -4.93 118.68 120.23 2dge s LEU 149 Ca 0.56 1.33 -0.13 0.00 -1.03 0.00 0.00 54.13 54.86 2dge s LEU 149 Cb -0.28 -4.15 -0.01 0.00 0.03 0.00 0.00 46.19 41.78 2dge s LEU 149 CO 0.35 -0.27 1.05 -1.10 0.23 0.00 0.00 176.35 176.62 2dge s GLN 150 N -3.17 3.12 0.24 1.70 -0.21 -1.26 -3.98 119.66 116.10 2dge s GLN 150 Ca 0.55 1.03 -0.05 0.00 0.02 0.00 0.00 55.36 56.90 2dge s GLN 150 Cb -0.10 -2.01 0.36 0.00 1.00 0.00 0.00 33.01 32.26 2dge s GLN 150 CO 0.19 -0.95 1.81 -0.44 -2.12 0.00 0.00 175.29 173.78 2dge h ASP 151 N -0.27 0.64 -0.26 5.90 3.45 -1.97 -1.17 116.42 122.75 2dge h ASP 151 Ca -0.45 0.04 -0.06 0.00 0.43 0.00 0.00 57.03 56.99 2dge h ASP 151 Cb 1.21 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 39.88 2dge h ASP 151 CO 0.57 0.38 -0.04 -0.08 -1.57 0.00 0.00 179.24 178.50 2dge h GLU 152 N 0.77 0.60 -0.59 3.56 4.57 -1.99 0.79 114.58 122.29 2dge h GLU 152 Ca 0.37 -0.15 -0.09 0.00 -1.18 0.00 0.00 59.36 58.31 2dge h GLU 152 Cb 0.32 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 2dge h GLU 152 CO -0.23 0.65 0.01 0.93 -1.18 0.00 0.00 179.01 179.19 2dge h GLU 153 N 0.57 1.04 -0.15 1.92 5.08 -1.66 -1.20 114.58 120.18 2dge h GLU 153 Ca 0.11 -0.33 -0.15 0.00 -1.00 0.00 0.00 59.36 58.00 2dge h GLU 153 Cb 0.42 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2dge h GLU 153 CO 0.02 1.02 -0.54 0.82 -1.00 0.00 0.00 179.01 179.33 2dge h ILE 154 N 0.94 1.34 -0.31 3.13 2.04 -0.61 -1.12 117.51 122.92 2dge h ILE 154 Ca 0.17 -1.80 0.01 0.00 1.00 0.00 0.00 64.86 64.24 2dge h ILE 154 Cb 0.54 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 2dge h ILE 154 CO 0.03 0.55 0.19 0.50 0.00 0.00 0.00 178.15 179.42 2dge h LYS 155 N 0.34 0.39 -0.48 2.37 3.11 -0.70 -0.14 116.57 121.45 2dge h LYS 155 Ca 0.01 -0.02 -0.05 0.00 -2.81 0.00 0.00 60.65 57.77 2dge h LYS 155 Cb 1.05 -0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 32.18 2dge h LYS 155 CO 0.10 0.25 0.09 -0.07 -2.81 0.00 0.00 179.45 177.01 2dge h LEU 156 N 0.40 0.69 -0.50 5.20 3.38 -0.99 -1.47 115.31 122.02 2dge h LEU 156 Ca 0.12 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2dge h LEU 156 Cb -0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2dge h LEU 156 CO -0.04 0.70 -0.26 -0.07 0.09 0.00 0.00 178.44 178.87 2dge h LEU 157 N 0.72 0.99 -0.69 1.67 3.38 -0.86 0.24 115.31 120.75 2dge h LEU 157 Ca 0.16 -0.39 -0.09 0.00 0.09 0.00 0.00 57.88 57.65 2dge h LEU 157 Cb 0.30 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2dge h LEU 157 CO 0.00 1.18 0.04 0.00 0.09 0.00 0.00 178.44 179.75 2dge h ALA 158 N 0.88 0.90 -0.50 1.53 0.00 -0.77 0.04 119.26 121.34 2dge h ALA 158 Ca 0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2dge h ALA 158 Cb 0.83 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2dge h ALA 158 CO 0.07 0.66 0.29 1.49 0.00 0.00 0.00 179.25 181.76 2dge h GLU 159 N 0.97 0.68 -0.21 0.00 4.81 -1.13 -1.12 114.58 118.57 2dge h GLU 159 Ca 0.18 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2dge h GLU 159 Cb 0.51 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2dge h GLU 159 CO 0.02 0.52 0.10 0.35 -0.73 0.00 0.00 179.01 179.27 2dge h PHE 160 N 0.66 0.31 -0.58 0.92 3.57 -0.58 -0.20 116.94 121.03 2dge h PHE 160 Ca 0.18 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 2dge h PHE 160 Cb 0.02 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 2dge h PHE 160 CO -0.02 0.32 0.22 0.28 -2.23 0.00 0.00 178.31 176.87 2dge h VAL 161 N 0.20 1.23 -0.05 1.41 2.07 -0.88 0.66 116.25 120.89 2dge h VAL 161 Ca 0.07 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 2dge h VAL 161 Cb 0.13 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2dge h VAL 161 CO -0.01 0.28 0.03 0.50 0.02 0.00 0.00 177.57 178.39 2dge h LYS 162 N 0.80 0.07 -0.22 1.57 1.63 -1.06 0.30 116.57 119.67 2dge h LYS 162 Ca 0.19 -0.01 0.04 0.00 -0.85 0.00 0.00 60.65 60.02 2dge h LYS 162 Cb 0.22 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.80 2dge h LYS 162 CO -0.01 0.12 -0.01 0.35 -3.45 0.00 0.00 179.45 176.45 2dge h PHE 163 N 0.01 -0.02 -0.54 1.91 3.57 -0.88 -1.04 116.94 119.95 2dge h PHE 163 Ca 0.02 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2dge h PHE 163 Cb 0.07 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 2dge h PHE 163 CO -0.05 -0.04 0.31 1.96 -2.23 0.00 0.00 178.31 178.26 2dge h GLN 164 N 0.06 0.74 -0.40 1.11 1.08 -0.69 -0.81 115.11 116.20 2dge h GLN 164 Ca 0.10 -0.08 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 2dge h GLN 164 Cb 0.13 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 2dge h GLN 164 CO -0.18 0.55 0.19 0.00 -0.95 0.00 0.00 178.83 178.44 2dge h ALA 165 N 1.15 0.52 -0.51 3.87 0.00 -0.81 0.14 119.26 123.62 2dge h ALA 165 Ca 0.19 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.07 2dge h ALA 165 Cb 0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2dge h ALA 165 CO -0.03 0.09 0.35 -0.44 0.00 0.00 0.00 179.25 179.21 2dge h ASP 166 N 0.51 0.32 -0.42 0.00 3.45 -0.80 -2.39 116.42 117.10 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 0.13 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 38.83 2dge h ASP 166 CO -0.02 0.20 0.00 0.00 -1.57 0.00 0.00 179.24 177.86 2dge n GLN 167 N -4.47 2.35 -2.31 3.56 1.13 -0.34 -4.97 117.38 112.33 2dge n GLN 167 Ca 0.08 -2.06 -0.11 0.00 -1.94 0.00 0.00 57.00 52.97 2dge n GLN 167 Cb 0.32 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.18 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 1.44 -0.05 3.24 1.08 0.00 -0.47 -4.20 105.19 106.23 2dge n GLY 168 Ca 0.19 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.99 -2.58 -1.15 1.61 7.02 0.38 -5.00 117.44 113.74 2dge n TRP 169 Ca -0.11 0.91 -0.32 0.00 -1.02 0.00 0.00 57.50 56.96 2dge n TRP 169 Cb 0.59 -4.02 0.12 0.00 -2.42 0.00 0.00 31.31 25.58 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 -4.09 1.78 0.39 -0.99 0.04 -1.26 -4.89 135.00 125.98 2dge s PRO 170 Ca 0.29 1.56 -0.27 0.00 0.04 0.00 0.00 61.00 62.63 2dge s PRO 170 Cb -0.05 -1.81 -0.11 0.00 0.04 0.00 0.00 34.50 32.57 2dge s PRO 170 CO 0.76 -2.07 1.31 0.25 0.04 0.00 0.00 177.00 177.29 2dge n THR 171 N -3.40 2.32 1.65 1.26 -2.24 -1.26 -5.08 114.28 107.52 2dge n THR 171 Ca 0.12 -0.50 0.15 0.00 -2.27 0.00 0.00 64.05 61.55 2dge n THR 171 Cb 0.51 -1.63 0.65 0.00 -2.10 0.00 0.00 70.33 67.76 2dge n THR 171 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05