#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g4r s SER 5 N 0.00 3.26 0.11 2.89 1.04 -1.26 -3.87 113.70 115.87 2g4r s SER 5 Ca 0.00 -0.75 -0.22 0.00 0.48 0.00 0.00 55.95 55.46 2g4r s SER 5 Cb 0.00 -0.21 0.06 0.00 0.10 0.00 0.00 66.02 65.96 2g4r s SER 5 CO 0.00 0.17 0.55 0.00 0.98 0.00 0.00 173.24 174.94 2g4r s ALA 6 N -1.07 -1.41 0.07 5.32 0.00 -1.26 -2.34 121.76 121.07 2g4r s ALA 6 Ca 0.13 0.46 0.04 0.00 0.00 0.00 0.00 51.96 52.60 2g4r s ALA 6 Cb -0.10 0.67 -0.03 0.00 0.00 0.00 0.00 23.12 23.66 2g4r s ALA 6 CO 0.06 -0.65 -0.12 1.03 0.00 0.00 0.00 175.76 176.08 2g4r s ARG 7 N -3.28 0.76 -0.12 0.00 1.81 -0.70 -4.93 118.95 112.50 2g4r s ARG 7 Ca -0.01 -0.96 0.01 0.00 -1.72 0.00 0.00 55.73 53.05 2g4r s ARG 7 Cb -0.00 -0.65 0.02 0.00 -0.45 0.00 0.00 34.95 33.87 2g4r s ARG 7 CO -0.09 0.13 -0.12 0.42 -0.68 0.00 0.00 175.30 174.97 2g4r s ILE 8 N -1.56 1.31 -0.29 1.52 1.01 -1.26 -1.45 121.20 120.49 2g4r s ILE 8 Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.13 2g4r s ILE 8 Cb -0.08 -1.25 0.06 0.00 0.01 0.00 0.00 42.46 41.19 2g4r s ILE 8 CO 0.01 0.41 -0.04 -0.69 0.00 0.00 0.00 174.94 174.64 2g4r s VAL 9 N 1.34 2.67 -0.35 2.92 1.01 -0.18 -0.58 120.40 127.23 2g4r s VAL 9 Ca -0.00 -1.52 -0.17 0.00 0.00 0.00 0.00 61.98 60.28 2g4r s VAL 9 Cb -0.14 -2.56 -0.00 0.00 0.00 0.00 0.00 36.38 33.68 2g4r s VAL 9 CO -0.06 -0.10 0.47 -0.69 0.00 0.00 0.00 175.10 174.72 2g4r s VAL 10 N 1.18 5.06 -0.49 2.92 1.01 0.45 -0.79 120.40 129.74 2g4r s VAL 10 Ca -0.06 0.23 -0.18 0.00 0.00 0.00 0.00 61.98 61.97 2g4r s VAL 10 Cb -0.20 -3.93 0.06 0.00 0.00 0.00 0.00 36.38 32.31 2g4r s VAL 10 CO -0.03 -0.20 0.53 -0.69 0.00 0.00 0.00 175.10 174.72 2g4r s VAL 11 N 2.29 5.02 -0.10 2.92 1.01 0.74 -0.13 120.40 132.15 2g4r s VAL 11 Ca 0.17 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.45 2g4r s VAL 11 Cb -0.16 -4.23 0.02 0.00 0.00 0.00 0.00 36.38 32.01 2g4r s VAL 11 CO 0.13 -0.71 -0.13 -0.55 0.00 0.00 0.00 175.10 173.84 2g4r s SER 12 N 2.63 2.18 0.38 3.32 0.15 0.60 -4.22 113.70 118.74 2g4r s SER 12 Ca 0.11 -0.36 0.05 0.00 0.70 0.00 0.00 55.95 56.44 2g4r s SER 12 Cb -0.21 -0.96 0.74 0.00 -1.71 0.00 0.00 66.02 63.88 2g4r s SER 12 CO 0.10 -0.01 2.01 0.28 1.20 0.00 0.00 173.24 176.82 2g4r h SER 13 N 7.43 0.56 -1.00 5.45 0.02 -1.94 -0.97 113.55 123.10 2g4r h SER 13 Ca -0.31 -0.03 0.23 0.00 -0.84 0.00 0.00 61.79 60.84 2g4r h SER 13 Cb 1.17 -0.14 -0.09 0.00 0.14 0.00 0.00 62.40 63.48 2g4r h SER 13 CO 0.47 0.44 0.64 0.03 -1.14 0.00 0.00 176.83 177.27 2g4r h ARG 14 N 0.65 0.48 -5.40 3.45 2.47 -1.95 -3.47 114.38 110.61 2g4r h ARG 14 Ca 0.17 -0.03 -0.09 0.00 -1.26 0.00 0.00 59.98 58.77 2g4r h ARG 14 Cb -0.01 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.19 2g4r h ARG 14 CO -0.03 0.32 0.25 0.00 0.56 0.00 0.00 179.97 181.07 2g4r s ALA 15 N -5.57 0.94 0.55 0.04 0.00 -0.37 -5.08 121.76 112.26 2g4r s ALA 15 Ca -0.09 -1.16 -0.21 0.00 0.00 0.00 0.00 51.96 50.50 2g4r s ALA 15 Cb 0.25 -4.60 -0.05 0.00 0.00 0.00 0.00 23.12 18.72 2g4r s ALA 15 CO 0.80 -5.80 1.31 0.95 0.00 0.00 0.00 175.76 173.01 2g4r s THR 21 N 13.89 2.25 -0.47 0.00 -4.23 -1.26 -4.66 115.64 121.16 2g4r s THR 21 Ca 0.84 0.18 -0.23 0.00 -1.18 0.00 0.00 61.69 61.31 2g4r s THR 21 Cb -0.09 -3.09 0.03 0.00 1.34 0.00 0.00 72.50 70.69 2g4r s THR 21 CO 0.08 -0.01 0.78 -0.62 -0.54 0.00 0.00 174.62 174.31 2g4r s ASP 22 N -1.11 6.37 0.02 3.99 2.15 -1.26 -4.89 116.67 121.93 2g4r s ASP 22 Ca 0.72 -0.26 0.06 0.00 0.43 0.00 0.00 52.55 53.51 2g4r s ASP 22 Cb -0.38 -2.38 -0.24 0.00 -0.30 0.00 0.00 42.92 39.63 2g4r s ASP 22 CO 0.44 -0.95 0.89 0.44 -0.17 0.00 0.00 175.17 175.82 2g4r h ASP 23 N 9.03 0.12 0.24 -0.34 3.32 -2.04 -3.40 116.42 123.35 2g4r h ASP 23 Ca -0.25 -0.18 -0.34 0.00 0.02 0.00 0.00 57.03 56.28 2g4r h ASP 23 Cb 1.09 -0.04 0.03 0.00 0.22 0.00 0.00 39.33 40.63 2g4r h ASP 23 CO 0.98 1.15 -1.54 0.00 -1.72 0.00 0.00 179.24 178.11 2g4r h GLY 25 N 0.25 0.20 1.77 0.00 0.00 -1.99 -1.71 103.07 101.61 2g4r h GLY 25 Ca -0.28 0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 2g4r h GLY 25 CO 0.25 -0.23 -0.21 -2.55 0.00 0.00 0.00 176.54 173.80 2g4r h PRO 26 N -0.08 0.27 -0.26 4.80 0.11 -1.79 -0.58 132.00 134.46 2g4r h PRO 26 Ca 0.27 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 2g4r h PRO 26 Cb 0.51 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 2g4r h PRO 26 CO -0.66 0.48 0.12 0.82 -0.21 0.00 0.00 178.00 178.55 2g4r h ILE 27 N 0.25 1.16 -0.59 4.15 2.04 -1.53 0.05 117.51 123.03 2g4r h ILE 27 Ca 0.04 -0.47 -0.09 0.00 1.00 0.00 0.00 64.86 65.34 2g4r h ILE 27 Cb 0.52 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 2g4r h ILE 27 CO 0.03 0.16 0.01 0.40 0.00 0.00 0.00 178.15 178.75 2g4r h ILE 28 N 0.28 1.26 -0.49 -0.67 2.04 -0.91 -1.70 117.51 117.33 2g4r h ILE 28 Ca 0.09 -1.13 -0.03 0.00 1.00 0.00 0.00 64.86 64.79 2g4r h ILE 28 Cb 0.15 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 2g4r h ILE 28 CO -0.01 0.41 0.18 0.00 0.00 0.00 0.00 178.15 178.73 2g4r h ALA 29 N 1.05 0.64 -0.74 1.87 0.00 -0.96 -1.48 119.26 119.63 2g4r h ALA 29 Ca 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2g4r h ALA 29 Cb 0.54 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2g4r h ALA 29 CO 0.03 0.26 0.40 0.78 0.00 0.00 0.00 179.25 180.71 2g4r h GLY 30 N 0.65 1.12 1.00 0.00 0.00 -0.86 -2.06 103.07 102.92 2g4r h GLY 30 Ca 0.16 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2g4r h GLY 30 CO -0.01 0.50 0.40 -0.25 0.00 0.00 0.00 176.54 177.17 2g4r h TRP 31 N 1.03 0.78 -0.74 5.60 7.01 -0.92 -2.14 115.95 126.56 2g4r h TRP 31 Ca 0.26 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.25 2g4r h TRP 31 Cb 0.05 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 26.82 2g4r h TRP 31 CO 0.00 0.50 0.36 -0.07 -2.79 0.00 0.00 178.44 176.44 2g4r h LEU 32 N 0.83 0.97 -0.58 0.65 3.38 -1.15 -1.84 115.31 117.58 2g4r h LEU 32 Ca 0.22 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2g4r h LEU 32 Cb -0.08 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.39 2g4r h LEU 32 CO -0.05 0.83 0.34 -0.33 0.09 0.00 0.00 178.44 179.33 2g4r h GLU 33 N 1.04 0.78 -0.30 1.13 5.08 -1.17 -0.59 114.58 120.57 2g4r h GLU 33 Ca 0.26 -0.07 0.09 0.00 -1.00 0.00 0.00 59.36 58.63 2g4r h GLU 33 Cb 0.12 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2g4r h GLU 33 CO -0.03 0.57 0.23 1.96 -1.00 0.00 0.00 179.01 180.73 2g4r h GLN 34 N 0.78 0.00 -0.55 2.33 4.20 -0.93 -2.59 115.11 118.34 2g4r h GLN 34 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2g4r h GLN 34 Cb -0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.77 2g4r h GLN 34 CO -0.04 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 178.84 2g4r n HIS 35 N -4.32 1.73 -0.25 2.96 8.25 -0.42 -4.91 115.22 118.26 2g4r n HIS 35 Ca 0.04 -0.71 0.00 0.00 -0.26 0.00 0.00 57.72 56.79 2g4r n HIS 35 Cb 0.39 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.10 2g4r n HIS 35 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2g4r n GLY 36 N 0.62 0.84 3.89 -1.41 0.00 -0.91 -5.03 105.19 103.20 2g4r n GLY 36 Ca 0.26 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2g4r n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2g4r s PHE 37 N -2.00 3.22 0.00 1.61 0.08 -0.36 -3.90 117.98 116.63 2g4r s PHE 37 Ca 0.00 -0.10 0.00 0.00 0.12 0.00 0.00 56.93 56.95 2g4r s PHE 37 Cb 0.00 -1.53 0.00 0.00 -0.57 0.00 0.00 43.02 40.92 2g4r s PHE 37 CO 0.00 0.43 0.00 -1.13 -0.10 0.00 0.00 175.22 174.42 2g4r n SER 38 N -1.31 0.00 -2.95 1.36 3.41 -1.25 -4.20 113.62 108.68 2g4r n SER 38 Ca -0.07 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.53 2g4r n SER 38 Cb 0.58 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.52 2g4r n SER 38 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2g4r n SER 39 N 1.57 -6.28 -4.42 4.04 2.88 -1.26 -5.04 113.62 105.12 2g4r n SER 39 Ca 0.00 0.95 -0.33 0.00 -1.33 0.00 0.00 58.87 58.16 2g4r n SER 39 Cb 0.00 -3.19 -0.14 0.00 -0.75 0.00 0.00 64.21 60.14 2g4r n SER 39 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2g4r s VAL 40 N -0.94 3.21 -0.18 2.46 1.01 -1.26 -5.08 120.40 119.62 2g4r s VAL 40 Ca -0.04 -0.62 -0.19 0.00 0.00 0.00 0.00 61.98 61.13 2g4r s VAL 40 Cb 0.00 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 2g4r s VAL 40 CO 0.34 0.54 0.53 -1.10 0.00 0.00 0.00 175.10 175.40 2g4r s GLN 41 N 0.11 4.23 0.34 2.72 -1.52 -1.26 -4.81 119.66 119.46 2g4r s GLN 41 Ca -0.05 0.46 -0.29 0.00 -1.95 0.00 0.00 55.36 53.53 2g4r s GLN 41 Cb -0.15 -3.53 -0.10 0.00 -0.22 0.00 0.00 33.01 29.01 2g4r s GLN 41 CO 0.04 -0.09 1.36 -2.14 -0.25 0.00 0.00 175.29 174.22 2g4r s PRO 42 N 1.42 4.28 -0.31 2.91 0.02 -1.26 -4.56 135.00 137.51 2g4r s PRO 42 Ca 0.25 2.32 -0.10 0.00 0.02 0.00 0.00 61.00 63.49 2g4r s PRO 42 Cb -0.15 -3.05 -0.01 0.00 0.02 0.00 0.00 34.50 31.30 2g4r s PRO 42 CO 0.10 -0.30 0.17 -0.65 -0.33 0.00 0.00 177.00 175.99 2g4r s GLN 43 N -1.76 3.44 -0.21 5.54 -0.21 0.25 -4.99 119.66 121.72 2g4r s GLN 43 Ca 0.51 -0.66 -0.14 0.00 0.02 0.00 0.00 55.36 55.09 2g4r s GLN 43 Cb -0.42 -3.61 -0.04 0.00 1.00 0.00 0.00 33.01 29.95 2g4r s GLN 43 CO 0.55 -0.39 0.33 0.08 -2.12 0.00 0.00 175.29 173.74 2g4r s VAL 44 N 1.65 5.24 0.05 1.09 1.01 -1.26 -0.41 120.40 127.77 2g4r s VAL 44 Ca 0.05 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.60 2g4r s VAL 44 Cb -0.17 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 2g4r s VAL 44 CO 0.07 0.28 -0.04 0.68 0.00 0.00 0.00 175.10 176.09 2g4r s VAL 45 N 1.22 0.33 0.70 2.92 -7.23 0.81 -4.97 120.40 114.19 2g4r s VAL 45 Ca 0.16 -1.43 -0.11 0.00 -1.81 0.00 0.00 61.98 58.79 2g4r s VAL 45 Cb -0.14 -1.00 0.01 0.00 0.56 0.00 0.00 36.38 35.80 2g4r s VAL 45 CO 0.07 -0.71 1.06 0.00 -0.31 0.00 0.00 175.10 175.21 2g4r s ALA 46 N -2.66 2.65 0.80 1.32 0.00 -1.26 -0.29 121.76 122.32 2g4r s ALA 46 Ca -0.02 0.11 -0.14 0.00 0.00 0.00 0.00 51.96 51.91 2g4r s ALA 46 Cb -0.01 -3.18 0.04 0.00 0.00 0.00 0.00 23.12 19.96 2g4r s ALA 46 CO -0.04 -1.25 0.89 -0.25 0.00 0.00 0.00 175.76 175.11 2g4r n ASP 47 N -3.12 -0.07 0.00 0.00 8.00 -1.26 -3.77 116.55 116.34 2g4r n ASP 47 Ca 0.08 0.55 0.00 0.00 0.71 0.00 0.00 54.79 56.13 2g4r n ASP 47 Cb 0.53 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 2g4r n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2g4r n GLY 48 N 1.02 0.86 0.29 0.44 0.00 -1.26 -4.34 105.19 102.20 2g4r n GLY 48 Ca 0.12 -1.30 0.08 0.00 0.00 0.00 0.00 46.02 44.92 2g4r n GLY 48 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2g4r h ASN 49 N 0.54 0.30 0.02 1.61 -0.26 -2.00 -0.72 115.58 115.07 2g4r h ASN 49 Ca 0.00 0.12 -0.00 0.00 -0.56 0.00 0.00 56.30 55.86 2g4r h ASN 49 Cb 0.00 0.10 -0.00 0.00 -1.06 0.00 0.00 38.32 37.36 2g4r h ASN 49 CO 0.00 0.08 -0.02 -0.65 -1.06 0.00 0.00 177.43 175.78 2g4r h PRO 50 N 0.44 0.00 -0.08 0.81 0.11 -1.76 -0.50 132.00 131.02 2g4r h PRO 50 Ca 0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.56 2g4r h PRO 50 Cb 0.77 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 2g4r h PRO 50 CO -0.45 0.02 -0.00 0.28 -0.21 0.00 0.00 178.00 177.64 2g4r h VAL 51 N 0.00 1.25 -0.63 3.15 2.07 -1.22 -2.31 116.25 118.57 2g4r h VAL 51 Ca -0.00 -0.79 0.13 0.00 0.82 0.00 0.00 66.70 66.86 2g4r h VAL 51 Cb 0.03 1.62 -0.11 0.00 -1.52 0.00 0.00 31.29 31.32 2g4r h VAL 51 CO 0.00 0.22 0.00 1.23 0.02 0.00 0.00 177.57 179.05 2g4r h GLY 52 N -0.13 0.67 1.07 2.17 0.00 -1.24 -0.94 103.07 104.67 2g4r h GLY 52 Ca 0.02 0.08 -0.11 0.00 0.00 0.00 0.00 47.33 47.33 2g4r h GLY 52 CO 0.00 -0.20 -0.11 0.83 0.00 0.00 0.00 176.54 177.06 2g4r h GLU 53 N 0.12 0.98 -0.27 4.80 4.39 -1.00 -0.65 114.58 122.94 2g4r h GLU 53 Ca 0.33 -0.37 -0.15 0.00 0.34 0.00 0.00 59.36 59.51 2g4r h GLU 53 Cb 0.54 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2g4r h GLU 53 CO -0.54 1.04 -0.42 0.00 -1.16 0.00 0.00 179.01 177.93 2g4r h ALA 54 N 0.91 0.41 -0.20 3.43 0.00 -0.98 -1.75 119.26 121.08 2g4r h ALA 54 Ca 0.13 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2g4r h ALA 54 Cb 0.67 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2g4r h ALA 54 CO 0.05 0.53 0.12 -0.07 0.00 0.00 0.00 179.25 179.88 2g4r h LEU 55 N 0.50 0.23 -0.37 0.00 3.38 -1.06 -2.02 115.31 115.97 2g4r h LEU 55 Ca 0.02 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2g4r h LEU 55 Cb 1.01 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 2g4r h LEU 55 CO 0.10 0.21 0.15 0.45 0.09 0.00 0.00 178.44 179.44 2g4r h HIS 56 N 0.24 0.56 -0.46 1.13 3.86 -1.05 0.15 115.15 119.58 2g4r h HIS 56 Ca 0.07 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2g4r h HIS 56 Cb 0.01 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.29 2g4r h HIS 56 CO -0.05 0.51 0.30 0.22 0.86 0.00 0.00 177.93 179.76 2g4r h ASP 57 N 0.46 0.54 -0.36 2.45 3.58 -1.25 -0.81 116.42 121.02 2g4r h ASP 57 Ca 0.13 -0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.50 2g4r h ASP 57 Cb 0.18 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 2g4r h ASP 57 CO -0.01 0.41 0.05 0.00 -2.88 0.00 0.00 179.24 176.81 2g4r h ALA 58 N 1.15 0.47 -0.40 -0.78 0.00 -1.01 -1.07 119.26 117.64 2g4r h ALA 58 Ca 0.17 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2g4r h ALA 58 Cb -0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2g4r h ALA 58 CO -0.03 0.19 0.23 0.28 0.00 0.00 0.00 179.25 179.91 2g4r h VAL 59 N 0.43 1.03 -0.90 0.00 2.07 -0.79 -2.58 116.25 115.52 2g4r h VAL 59 Ca 0.11 -0.16 0.10 0.00 0.82 0.00 0.00 66.70 67.56 2g4r h VAL 59 Cb 0.37 0.53 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 2g4r h VAL 59 CO 0.01 0.08 0.54 0.78 0.02 0.00 0.00 177.57 179.01 2g4r h ASN 60 N 0.46 0.80 0.52 0.57 2.35 -1.05 -1.78 115.58 117.46 2g4r h ASN 60 Ca 0.16 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 2g4r h ASN 60 Cb 0.02 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.27 2g4r h ASN 60 CO -0.08 0.46 0.00 0.00 -1.65 0.00 0.00 177.43 176.16 2g4r n ALA 61 N -2.37 1.54 -2.67 -0.83 0.00 -0.41 -4.91 120.51 110.86 2g4r n ALA 61 Ca 0.15 0.05 -0.16 0.00 0.00 0.00 0.00 53.44 53.49 2g4r n ALA 61 Cb 0.28 -1.31 0.02 0.00 0.00 0.00 0.00 19.45 18.44 2g4r n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2g4r n GLY 62 N -0.27 -0.21 3.76 0.00 0.00 -0.67 -4.99 105.19 102.81 2g4r n GLY 62 Ca 0.02 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 2g4r n GLY 62 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2g4r s VAL 63 N -2.94 2.98 0.06 1.61 -7.23 -1.19 -4.91 120.40 108.79 2g4r s VAL 63 Ca 0.16 0.51 -0.19 0.00 -1.81 0.00 0.00 61.98 60.65 2g4r s VAL 63 Cb -0.07 -3.07 -0.12 0.00 0.56 0.00 0.00 36.38 33.68 2g4r s VAL 63 CO 0.20 -0.23 1.40 0.44 -0.31 0.00 0.00 175.10 176.59 2g4r h ASP 64 N 0.30 0.46 -4.34 4.85 3.32 -1.77 -3.37 116.42 115.87 2g4r h ASP 64 Ca -0.48 -0.44 -0.27 0.00 0.02 0.00 0.00 57.03 55.86 2g4r h ASP 64 Cb 1.26 -0.13 -0.25 0.00 0.22 0.00 0.00 39.33 40.44 2g4r h ASP 64 CO 0.54 0.80 -0.73 0.68 -1.72 0.00 0.00 179.24 178.81 2g4r s VAL 65 N -4.46 0.35 -0.10 -1.35 -7.23 -0.99 -1.23 120.40 105.39 2g4r s VAL 65 Ca -0.14 -0.60 0.03 0.00 -1.81 0.00 0.00 61.98 59.47 2g4r s VAL 65 Cb 0.06 -0.38 0.01 0.00 0.56 0.00 0.00 36.38 36.63 2g4r s VAL 65 CO 0.77 -0.17 -0.20 -0.63 -0.31 0.00 0.00 175.10 174.55 2g4r s ILE 66 N -0.75 1.81 -0.17 -0.62 1.01 0.81 -1.72 121.20 121.57 2g4r s ILE 66 Ca -0.05 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 59.71 2g4r s ILE 66 Cb -0.06 -1.59 -0.01 0.00 0.01 0.00 0.00 42.46 40.81 2g4r s ILE 66 CO -0.00 0.50 -0.08 -0.63 0.00 0.00 0.00 174.94 174.74 2g4r s ILE 67 N 0.54 3.32 0.16 2.92 1.01 -0.53 -0.72 121.20 127.90 2g4r s ILE 67 Ca -0.15 -0.54 0.06 0.00 0.00 0.00 0.00 60.65 60.02 2g4r s ILE 67 Cb -0.17 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 2g4r s ILE 67 CO 0.05 0.48 0.04 0.42 0.00 0.00 0.00 174.94 175.93 2g4r s THR 68 N 0.86 3.98 -0.05 2.92 -4.23 -0.49 -1.01 115.64 117.63 2g4r s THR 68 Ca -0.02 -1.26 -0.01 0.00 -1.18 0.00 0.00 61.69 59.22 2g4r s THR 68 Cb -0.15 -2.99 0.03 0.00 1.34 0.00 0.00 72.50 70.73 2g4r s THR 68 CO 0.01 -0.07 0.02 -0.55 -0.54 0.00 0.00 174.62 173.48 2g4r s SER 69 N -2.89 1.03 0.00 3.99 0.15 0.03 -0.48 113.70 115.54 2g4r s SER 69 Ca 0.28 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.91 2g4r s SER 69 Cb -0.10 -0.28 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 2g4r s SER 69 CO 0.20 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.08 2g4r n GLY 70 N 4.80 1.67 2.10 9.45 0.00 -0.70 -0.19 105.19 122.33 2g4r n GLY 70 Ca -0.13 -1.92 -0.03 0.00 0.00 0.00 0.00 46.02 43.93 2g4r n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2g4r n GLY 71 N 1.82 0.62 0.59 -0.02 0.00 -1.26 -4.68 105.19 102.25 2g4r n GLY 71 Ca 0.00 -0.92 0.11 0.00 0.00 0.00 0.00 46.02 45.21 2g4r n GLY 71 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2g4r n THR 72 N -2.95 0.00 0.00 2.61 -2.24 -1.26 -1.61 114.28 108.83 2g4r n THR 72 Ca -0.03 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2g4r n THR 72 Cb 0.13 1.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 2g4r n THR 72 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2g4r n GLY 73 N 1.39 0.89 0.23 3.38 0.00 -1.26 -0.46 105.19 109.36 2g4r n GLY 73 Ca 0.10 -1.47 0.06 0.00 0.00 0.00 0.00 46.02 44.71 2g4r n GLY 73 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2g4r n ILE 74 N 0.00 1.54 -1.26 -0.61 -5.35 -1.26 -4.73 119.36 107.68 2g4r n ILE 74 Ca 0.00 -1.63 -0.31 0.00 -0.27 0.00 0.00 62.75 60.54 2g4r n ILE 74 Cb 0.00 0.10 0.10 0.00 -1.74 0.00 0.00 39.64 38.10 2g4r n ILE 74 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2g4r s SER 75 N -1.89 4.22 0.57 7.28 1.04 -1.26 -4.89 113.70 118.77 2g4r s SER 75 Ca 0.21 1.70 0.29 0.00 0.48 0.00 0.00 55.95 58.63 2g4r s SER 75 Cb 0.17 -2.40 1.47 0.00 0.10 0.00 0.00 66.02 65.36 2g4r s SER 75 CO 0.04 -2.20 1.90 -0.65 0.98 0.00 0.00 173.24 173.32 2g4r h PRO 76 N -1.24 0.00 -0.33 4.02 0.11 -2.04 -2.17 132.00 130.35 2g4r h PRO 76 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2g4r h PRO 76 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2g4r h PRO 76 CO 0.53 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.57 2g4r n THR 77 N -3.92 0.72 -2.74 -1.15 -2.24 -1.26 -4.88 114.28 98.82 2g4r n THR 77 Ca 0.11 -0.86 -0.42 0.00 -2.27 0.00 0.00 64.05 60.61 2g4r n THR 77 Cb 0.74 0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 69.67 2g4r n THR 77 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2g4r s ASP 78 N -1.06 6.59 -0.15 3.42 1.01 -0.82 -4.69 116.67 120.97 2g4r s ASP 78 Ca 0.27 -1.80 0.16 0.00 0.71 0.00 0.00 52.55 51.89 2g4r s ASP 78 Cb 0.15 -2.49 0.32 0.00 1.01 0.00 0.00 42.92 41.91 2g4r s ASP 78 CO 0.20 -1.27 1.17 0.35 0.21 0.00 0.00 175.17 175.82 2g4r n THR 79 N 6.18 1.94 -0.24 -1.27 -2.24 -1.15 -4.75 114.28 112.75 2g4r n THR 79 Ca 0.30 -2.50 -0.04 0.00 -2.27 0.00 0.00 64.05 59.54 2g4r n THR 79 Cb 0.50 -0.22 0.07 0.00 -2.10 0.00 0.00 70.33 68.58 2g4r n THR 79 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2g4r h THR 80 N 0.46 1.10 -0.73 4.28 2.02 -1.58 -1.42 112.91 117.04 2g4r h THR 80 Ca -0.00 -0.29 -0.07 0.00 0.77 0.00 0.00 66.41 66.82 2g4r h THR 80 Cb 1.01 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 2g4r h THR 80 CO 0.00 0.15 0.20 -0.65 0.37 0.00 0.00 175.52 175.59 2g4r h PRO 81 N 0.84 1.16 -0.05 6.66 0.11 -1.84 -0.38 132.00 138.50 2g4r h PRO 81 Ca 0.27 -0.27 0.02 0.00 0.11 0.00 0.00 66.00 66.13 2g4r h PRO 81 Cb 0.00 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 30.93 2g4r h PRO 81 CO -0.10 1.00 -0.05 0.93 -0.21 0.00 0.00 178.00 179.57 2g4r h GLU 82 N 1.10 -0.07 -0.13 1.05 3.07 -1.84 0.27 114.58 118.03 2g4r h GLU 82 Ca 0.23 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.06 2g4r h GLU 82 Cb 0.35 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 2g4r h GLU 82 CO -0.00 -0.04 -0.08 0.45 -1.40 0.00 0.00 179.01 177.93 2g4r h HIS 83 N -0.07 0.20 0.18 4.33 3.86 -1.02 -0.86 115.15 121.77 2g4r h HIS 83 Ca 0.04 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 2g4r h HIS 83 Cb 0.13 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.54 2g4r h HIS 83 CO -0.15 0.29 -0.09 1.15 0.86 0.00 0.00 177.93 179.99 2g4r h THR 84 N 0.19 0.91 -0.62 2.45 2.02 -0.70 -3.14 112.91 114.02 2g4r h THR 84 Ca 0.04 -0.95 0.05 0.00 0.77 0.00 0.00 66.41 66.32 2g4r h THR 84 Cb 0.27 1.43 -0.04 0.00 -1.74 0.00 0.00 68.15 68.08 2g4r h THR 84 CO 0.01 0.20 0.41 0.58 0.37 0.00 0.00 175.52 177.09 2g4r h VAL 85 N -0.75 1.03 -0.71 3.16 2.07 -0.35 -0.73 116.25 119.97 2g4r h VAL 85 Ca -0.02 -0.22 0.08 0.00 0.82 0.00 0.00 66.70 67.35 2g4r h VAL 85 Cb 0.51 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 2g4r h VAL 85 CO 0.04 0.12 0.47 0.00 0.02 0.00 0.00 177.57 178.21 2g4r h ALA 86 N 1.66 1.79 0.00 1.67 0.00 -1.13 -2.65 119.26 120.60 2g4r h ALA 86 Ca 0.26 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2g4r h ALA 86 Cb 0.21 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2g4r h ALA 86 CO -0.08 0.08 -1.28 1.33 0.00 0.00 0.00 179.25 179.30 2g4r n VAL 87 N -4.49 0.55 -2.13 0.00 0.24 -0.36 -4.98 118.33 107.16 2g4r n VAL 87 Ca 0.11 -0.56 -0.37 0.00 -2.04 0.00 0.00 64.34 61.48 2g4r n VAL 87 Cb 0.29 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.36 2g4r n VAL 87 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2g4r s LEU 88 N -5.21 3.96 -0.03 1.34 1.43 -0.70 -4.72 118.68 114.74 2g4r s LEU 88 Ca -0.03 2.43 -0.22 0.00 -1.03 0.00 0.00 54.13 55.28 2g4r s LEU 88 Cb 0.10 -4.26 -0.26 0.00 0.03 0.00 0.00 46.19 41.80 2g4r s LEU 88 CO 0.82 -1.11 0.99 0.44 0.23 0.00 0.00 176.35 177.73 2g4r h ASP 89 N 1.86 0.42 -5.06 2.29 3.32 -1.15 -3.48 116.42 114.61 2g4r h ASP 89 Ca -0.50 -0.85 -0.05 0.00 0.02 0.00 0.00 57.03 55.66 2g4r h ASP 89 Cb 1.26 -0.13 -0.14 0.00 0.22 0.00 0.00 39.33 40.55 2g4r h ASP 89 CO 0.59 1.22 -0.03 -0.72 -1.72 0.00 0.00 179.24 178.58 2g4r s TYR 90 N -2.86 -0.27 0.35 4.55 -0.85 -1.15 -5.03 117.35 112.08 2g4r s TYR 90 Ca -0.14 0.03 0.01 0.00 -0.52 0.00 0.00 57.07 56.45 2g4r s TYR 90 Cb 0.02 0.30 -0.03 0.00 0.38 0.00 0.00 41.96 42.63 2g4r s TYR 90 CO 0.80 -0.70 0.55 0.14 -1.52 0.00 0.00 175.55 174.82 2g4r s VAL 91 N -3.52 5.05 -0.62 -3.49 -7.23 -1.26 -1.69 120.40 107.63 2g4r s VAL 91 Ca 0.01 -0.49 0.04 0.00 -1.81 0.00 0.00 61.98 59.73 2g4r s VAL 91 Cb 0.01 -3.84 0.15 0.00 0.56 0.00 0.00 36.38 33.26 2g4r s VAL 91 CO -0.10 -0.54 0.39 -0.63 -0.31 0.00 0.00 175.10 173.91 2g4r s ILE 92 N -2.31 2.81 0.31 -0.62 1.01 0.15 -4.87 121.20 117.69 2g4r s ILE 92 Ca 0.40 -3.79 -0.00 0.00 0.00 0.00 0.00 60.65 57.26 2g4r s ILE 92 Cb -0.10 -2.89 0.25 0.00 0.01 0.00 0.00 42.46 39.73 2g4r s ILE 92 CO 0.36 -0.91 1.96 1.55 0.00 0.00 0.00 174.94 177.91 2g4r h PRO 93 N 5.97 0.97 -0.84 2.79 0.13 -1.98 -2.67 132.00 136.37 2g4r h PRO 93 Ca 0.03 -0.08 0.05 0.00 -0.87 0.00 0.00 66.00 65.14 2g4r h PRO 93 Cb 0.82 -0.21 -0.05 0.00 0.13 0.00 0.00 31.00 31.70 2g4r h PRO 93 CO 0.71 0.67 0.55 0.78 -0.23 0.00 0.00 178.00 180.48 2g4r h GLY 94 N 1.01 1.20 0.84 1.56 0.00 -1.97 -1.01 103.07 104.69 2g4r h GLY 94 Ca 0.26 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 47.10 2g4r h GLY 94 CO -0.05 0.33 -0.22 -2.00 0.00 0.00 0.00 176.54 174.59 2g4r h LEU 95 N 1.00 0.54 -0.54 3.11 5.85 -1.88 0.70 115.31 124.09 2g4r h LEU 95 Ca 0.35 -0.49 0.02 0.00 0.84 0.00 0.00 57.88 58.60 2g4r h LEU 95 Cb 0.10 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 2g4r h LEU 95 CO -0.11 0.92 0.33 0.00 -0.34 0.00 0.00 178.44 179.23 2g4r h ALA 96 N 0.64 0.69 -0.77 1.25 0.00 -1.48 -0.60 119.26 118.98 2g4r h ALA 96 Ca 0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2g4r h ALA 96 Cb 0.78 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2g4r h ALA 96 CO 0.05 0.04 0.33 -0.44 0.00 0.00 0.00 179.25 179.23 2g4r h ASP 97 N 0.65 1.03 -0.24 0.00 3.32 -1.06 -1.39 116.42 118.73 2g4r h ASP 97 Ca 0.22 -0.14 -0.13 0.00 0.02 0.00 0.00 57.03 56.99 2g4r h ASP 97 Cb 0.02 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 2g4r h ASP 97 CO -0.09 0.90 -0.33 0.00 -1.72 0.00 0.00 179.24 178.00 2g4r h ALA 98 N 1.25 0.78 -0.60 3.45 0.00 -0.45 -0.06 119.26 123.62 2g4r h ALA 98 Ca 0.26 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2g4r h ALA 98 Cb 0.18 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2g4r h ALA 98 CO -0.03 0.65 0.30 0.82 0.00 0.00 0.00 179.25 180.99 2g4r h ILE 99 N 0.64 1.21 -0.34 0.00 2.04 -0.86 -1.05 117.51 119.14 2g4r h ILE 99 Ca 0.07 -0.58 -0.09 0.00 1.00 0.00 0.00 64.86 65.26 2g4r h ILE 99 Cb 0.86 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 2g4r h ILE 99 CO 0.08 0.24 -0.16 0.03 0.00 0.00 0.00 178.15 178.34 2g4r h ARG 100 N 0.82 0.62 -0.00 2.37 3.08 -0.84 -2.74 114.38 117.69 2g4r h ARG 100 Ca 0.21 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2g4r h ARG 100 Cb 0.11 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2g4r h ARG 100 CO -0.03 0.75 -0.12 0.54 -1.07 0.00 0.00 179.97 180.05 2g4r n ARG 101 N -4.16 0.24 -2.04 0.04 1.74 -0.07 -4.76 116.66 107.65 2g4r n ARG 101 Ca 0.01 -0.06 -0.34 0.00 -0.77 0.00 0.00 57.85 56.69 2g4r n ARG 101 Cb 0.37 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.33 2g4r n ARG 101 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2g4r s SER 102 N -2.80 5.49 0.00 0.55 1.04 -0.43 -4.47 113.70 113.08 2g4r s SER 102 Ca 0.19 2.06 0.00 0.00 0.48 0.00 0.00 55.95 58.68 2g4r s SER 102 Cb 0.19 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.75 2g4r s SER 102 CO 0.54 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 174.00 2g4r n GLY 103 N -0.26 1.90 3.30 7.32 0.00 -1.26 -4.94 105.19 111.25 2g4r n GLY 103 Ca 0.11 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 2g4r n GLY 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2g4r n LEU 104 N 0.00 -2.20 0.00 0.99 4.77 -1.26 -5.13 117.00 114.17 2g4r n LEU 104 Ca 0.00 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 2g4r n LEU 104 Cb 0.00 -1.00 0.00 0.00 -2.33 0.00 0.00 43.42 40.09 2g4r n LEU 104 CO 0.00 -3.18 0.00 -2.65 -1.33 0.00 0.00 177.39 170.23 2g4r n PRO 108 N -2.81 0.00 -1.54 3.23 -0.02 -1.26 -5.26 135.00 127.34 2g4r n PRO 108 Ca 0.01 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.09 2g4r n PRO 108 Cb 0.60 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 34.03 2g4r n PRO 108 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2g4r n THR 109 N -0.88 0.06 0.00 3.45 -2.24 -1.26 -2.84 114.28 110.56 2g4r n THR 109 Ca 0.00 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 2g4r n THR 109 Cb 0.00 -2.31 0.00 0.00 -2.10 0.00 0.00 70.33 65.92 2g4r n THR 109 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2g4r n SER 110 N 13.50 0.00 0.00 3.42 2.88 -1.26 -4.59 113.62 127.57 2g4r n SER 110 Ca 0.40 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 2g4r n SER 110 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 2g4r n SER 110 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2g4r n VAL 111 N 0.00 0.00 1.09 2.46 0.24 -1.13 -2.32 118.33 118.66 2g4r n VAL 111 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.42 2g4r n VAL 111 Cb 0.00 0.00 0.32 0.00 -1.47 0.00 0.00 33.84 32.69 2g4r n VAL 111 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2g4r n LEU 112 N -1.27 0.62 -4.69 1.34 4.77 -1.26 -4.89 117.00 111.63 2g4r n LEU 112 Ca 0.00 -0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.50 2g4r n LEU 112 Cb 0.00 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 2g4r n LEU 112 CO 0.00 0.14 0.91 -0.55 -1.33 0.00 0.00 177.39 176.56 2g4r s SER 113 N -2.83 7.10 -0.36 -1.43 0.15 -0.98 -4.40 113.70 110.94 2g4r s SER 113 Ca 0.16 1.72 0.08 0.00 0.70 0.00 0.00 55.95 58.61 2g4r s SER 113 Cb 0.18 -2.56 0.66 0.00 -1.71 0.00 0.00 66.02 62.59 2g4r s SER 113 CO 0.63 -0.55 1.77 0.54 1.20 0.00 0.00 173.24 176.83 2g4r n ARG 114 N 5.21 2.72 -1.88 5.44 1.74 0.39 -5.00 116.66 125.27 2g4r n ARG 114 Ca 0.10 -3.07 -0.38 0.00 -0.77 0.00 0.00 57.85 53.74 2g4r n ARG 114 Cb 0.47 -2.10 0.03 0.00 -1.02 0.00 0.00 32.46 29.84 2g4r n ARG 114 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2g4r s GLY 115 N -1.49 2.85 0.34 -0.13 0.00 -1.26 -4.70 107.32 102.93 2g4r s GLY 115 Ca 0.53 1.22 0.09 0.00 0.00 0.00 0.00 44.72 46.56 2g4r s GLY 115 CO 0.10 1.70 -0.09 -1.34 0.00 0.00 0.00 173.10 173.47 2g4r s VAL 116 N -1.38 2.17 0.11 1.40 -7.23 -1.26 -4.86 120.40 109.34 2g4r s VAL 116 Ca 0.72 -2.19 0.04 0.00 -1.81 0.00 0.00 61.98 58.74 2g4r s VAL 116 Cb -0.37 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 33.89 2g4r s VAL 116 CO 0.43 -0.20 -0.10 0.00 -0.31 0.00 0.00 175.10 174.92 2g4r n GLY 118 N 0.40 -1.29 3.23 0.00 0.00 -0.28 0.33 105.19 107.59 2g4r n GLY 118 Ca -0.15 -0.97 -0.31 0.00 0.00 0.00 0.00 46.02 44.59 2g4r n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2g4r s VAL 119 N -2.39 1.94 -0.31 1.61 1.01 -0.68 -0.39 120.40 121.19 2g4r s VAL 119 Ca 0.00 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.01 2g4r s VAL 119 Cb 0.00 -1.66 0.09 0.00 0.00 0.00 0.00 36.38 34.81 2g4r s VAL 119 CO 0.00 0.54 0.04 0.00 0.00 0.00 0.00 175.10 175.68 2g4r s ALA 120 N 0.01 2.28 0.00 5.51 0.00 0.76 -0.57 121.76 129.76 2g4r s ALA 120 Ca -0.08 -2.00 0.00 0.00 0.00 0.00 0.00 51.96 49.88 2g4r s ALA 120 Cb -0.15 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.24 2g4r s ALA 120 CO 0.05 -1.56 0.00 0.41 0.00 0.00 0.00 175.76 174.66 2g4r n GLY 121 N 4.52 2.19 0.63 0.00 0.00 -1.26 -1.82 105.19 109.45 2g4r n GLY 121 Ca -0.02 -0.36 0.08 0.00 0.00 0.00 0.00 46.02 45.73 2g4r n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g4r n ARG 122 N 8.56 2.49 -3.96 1.61 1.74 -1.26 -5.00 116.66 120.84 2g4r n ARG 122 Ca 0.00 -2.67 -0.35 0.00 -0.77 0.00 0.00 57.85 54.06 2g4r n ARG 122 Cb 0.00 -1.68 -0.11 0.00 -1.02 0.00 0.00 32.46 29.65 2g4r n ARG 122 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2g4r s THR 123 N -2.64 4.62 -0.12 0.55 2.01 -0.76 -4.67 115.64 114.62 2g4r s THR 123 Ca 0.37 -0.09 -0.23 0.00 0.31 0.00 0.00 61.69 62.05 2g4r s THR 123 Cb 0.30 -3.10 -0.03 0.00 0.01 0.00 0.00 72.50 69.67 2g4r s THR 123 CO 0.08 0.42 0.69 -0.22 -0.69 0.00 0.00 174.62 174.89 2g4r s LEU 124 N 0.77 4.25 -0.11 4.42 2.96 -0.37 -0.17 118.68 130.43 2g4r s LEU 124 Ca 0.03 1.07 0.02 0.00 -0.22 0.00 0.00 54.13 55.03 2g4r s LEU 124 Cb -0.13 -3.03 -0.01 0.00 0.50 0.00 0.00 46.19 43.51 2g4r s LEU 124 CO 0.02 -0.19 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.05 2g4r s ILE 125 N 1.28 2.64 -0.14 6.68 1.01 0.47 -0.13 121.20 133.01 2g4r s ILE 125 Ca 0.35 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 60.18 2g4r s ILE 125 Cb -0.17 -2.06 0.02 0.00 0.01 0.00 0.00 42.46 40.26 2g4r s ILE 125 CO 0.15 0.55 -0.15 -0.63 0.00 0.00 0.00 174.94 174.85 2g4r s ILE 126 N 0.22 1.61 -0.14 2.92 -1.09 0.10 -1.13 121.20 123.69 2g4r s ILE 126 Ca -0.11 -0.67 -0.22 0.00 -2.23 0.00 0.00 60.65 57.42 2g4r s ILE 126 Cb -0.16 -1.49 -0.03 0.00 -1.58 0.00 0.00 42.46 39.20 2g4r s ILE 126 CO 0.06 0.46 0.66 0.20 -1.23 0.00 0.00 174.94 175.09 2g4r s ASN 127 N 1.31 6.81 0.15 3.58 0.01 -0.28 -1.39 114.94 125.12 2g4r s ASN 127 Ca 0.01 0.98 0.08 0.00 -0.71 0.00 0.00 52.86 53.22 2g4r s ASN 127 Cb -0.13 -2.37 -0.04 0.00 0.41 0.00 0.00 41.25 39.11 2g4r s ASN 127 CO -0.08 -0.21 -0.11 -0.76 -1.51 0.00 0.00 177.10 174.43 2g4r s LEU 128 N 1.44 2.95 0.96 0.60 1.43 0.37 -4.71 118.68 121.73 2g4r s LEU 128 Ca 0.32 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 52.80 2g4r s LEU 128 Cb -0.16 -1.69 0.16 0.00 0.03 0.00 0.00 46.19 44.53 2g4r s LEU 128 CO 0.13 0.14 1.07 -0.81 0.23 0.00 0.00 176.35 177.11 2g4r n PRO 129 N 0.35 -0.77 -0.94 1.29 -0.04 -1.26 -1.72 135.00 131.92 2g4r n PRO 129 Ca -0.12 -0.16 -0.17 0.00 -0.04 0.00 0.00 63.50 63.00 2g4r n PRO 129 Cb 0.54 -2.31 0.02 0.00 -0.04 0.00 0.00 33.50 31.72 2g4r n PRO 129 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2g4r n GLY 130 N 0.47 4.06 3.20 0.55 0.00 -1.26 -3.47 105.19 108.74 2g4r n GLY 130 Ca 0.10 -1.14 -0.22 0.00 0.00 0.00 0.00 46.02 44.77 2g4r n GLY 130 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2g4r s SER 131 N 0.28 2.03 0.42 1.61 1.04 -1.26 -4.86 113.70 112.96 2g4r s SER 131 Ca 0.33 -0.56 0.09 0.00 0.48 0.00 0.00 55.95 56.29 2g4r s SER 131 Cb 0.25 -0.12 0.92 0.00 0.10 0.00 0.00 66.02 67.17 2g4r s SER 131 CO -0.02 0.04 2.04 -0.65 0.98 0.00 0.00 173.24 175.62 2g4r h PRO 132 N 4.56 0.48 -0.28 4.02 0.11 -1.95 0.27 132.00 139.21 2g4r h PRO 132 Ca -0.41 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.51 2g4r h PRO 132 Cb 1.18 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2g4r h PRO 132 CO 0.42 0.32 -0.44 0.78 -0.21 0.00 0.00 178.00 178.86 2g4r h GLY 133 N 0.49 0.86 1.11 -0.55 0.00 -1.97 -0.24 103.07 102.77 2g4r h GLY 133 Ca 0.18 -0.97 -0.05 0.00 0.00 0.00 0.00 47.33 46.49 2g4r h GLY 133 CO -0.05 0.87 0.26 -1.33 0.00 0.00 0.00 176.54 176.30 2g4r h GLY 134 N 0.54 1.21 0.84 4.60 0.00 -1.80 -1.94 103.07 106.51 2g4r h GLY 134 Ca 0.02 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 2g4r h GLY 134 CO 0.10 0.64 0.04 -2.08 0.00 0.00 0.00 176.54 175.24 2g4r h VAL 135 N 1.09 1.19 -0.29 4.60 2.07 -0.84 -1.53 116.25 122.54 2g4r h VAL 135 Ca 0.24 -0.60 0.07 0.00 0.82 0.00 0.00 66.70 67.23 2g4r h VAL 135 Cb 0.25 1.33 -0.08 0.00 -1.52 0.00 0.00 31.29 31.28 2g4r h VAL 135 CO -0.01 0.18 -0.25 -0.09 0.02 0.00 0.00 177.57 177.42 2g4r h ARG 136 N 0.03 -0.23 -0.19 1.57 2.43 -0.94 0.15 114.38 117.21 2g4r h ARG 136 Ca 0.04 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 2g4r h ARG 136 Cb 0.25 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 2g4r h ARG 136 CO -0.00 -0.15 -0.00 -0.44 -1.51 0.00 0.00 179.97 177.87 2g4r h ASP 137 N -0.23 0.33 -0.18 -3.80 3.32 -1.29 -0.92 116.42 113.65 2g4r h ASP 137 Ca 0.15 -0.31 0.05 0.00 0.02 0.00 0.00 57.03 56.94 2g4r h ASP 137 Cb 0.47 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 39.86 2g4r h ASP 137 CO -0.42 0.56 -0.29 1.23 -1.72 0.00 0.00 179.24 178.60 2g4r h GLY 138 N 0.09 -0.32 1.02 2.75 0.00 -1.11 -2.24 103.07 103.26 2g4r h GLY 138 Ca 0.05 0.35 0.07 0.00 0.00 0.00 0.00 47.33 47.80 2g4r h GLY 138 CO 0.01 -0.21 0.48 1.41 0.00 0.00 0.00 176.54 178.23 2g4r h LEU 139 N -0.33 0.68 -1.40 3.11 3.38 -0.46 -1.48 115.31 118.80 2g4r h LEU 139 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2g4r h LEU 139 Cb 0.51 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2g4r h LEU 139 CO -0.37 0.44 0.23 1.23 0.09 0.00 0.00 178.44 180.05 2g4r h GLY 140 N 0.77 0.68 0.76 0.83 0.00 -0.61 -0.54 103.07 104.96 2g4r h GLY 140 Ca 0.32 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 2g4r h GLY 140 CO -0.11 0.29 -0.03 -2.08 0.00 0.00 0.00 176.54 174.61 2g4r h VAL 141 N 0.64 1.10 -0.65 4.60 2.07 -0.80 -3.13 116.25 120.09 2g4r h VAL 141 Ca 0.16 -0.55 0.12 0.00 0.82 0.00 0.00 66.70 67.26 2g4r h VAL 141 Cb 0.06 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 2g4r h VAL 141 CO -0.02 0.14 0.44 0.25 0.02 0.00 0.00 177.57 178.39 2g4r h LEU 142 N -0.33 0.32 -1.55 2.57 5.85 -0.56 -2.13 115.31 119.48 2g4r h LEU 142 Ca -0.01 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2g4r h LEU 142 Cb 0.29 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2g4r h LEU 142 CO 0.01 0.18 0.06 0.00 -0.34 0.00 0.00 178.44 178.36 2g4r h ALA 143 N 1.68 1.65 0.00 1.25 0.00 -1.06 0.77 119.26 123.55 2g4r h ALA 143 Ca 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2g4r h ALA 143 Cb 0.72 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2g4r h ALA 143 CO -0.08 0.27 -0.37 -0.25 0.00 0.00 0.00 179.25 178.82 2g4r n ASP 144 N -4.40 0.40 0.00 0.00 8.00 -0.80 -4.29 116.55 115.46 2g4r n ASP 144 Ca 0.01 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.52 2g4r n ASP 144 Cb 0.16 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 2g4r n ASP 144 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2g4r n VAL 145 N -1.59 0.00 -0.09 2.53 0.24 -0.82 -4.88 118.33 113.71 2g4r n VAL 145 Ca 0.06 -0.31 -0.11 0.00 -2.04 0.00 0.00 64.34 61.93 2g4r n VAL 145 Cb 0.35 1.07 -0.04 0.00 -1.47 0.00 0.00 33.84 33.75 2g4r n VAL 145 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 2g4r h LEU 146 N 0.00 0.47 -0.39 1.34 5.85 -1.06 -0.44 115.31 121.08 2g4r h LEU 146 Ca 0.00 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.47 2g4r h LEU 146 Cb 0.03 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 2g4r h LEU 146 CO 0.00 0.66 0.11 0.44 -0.34 0.00 0.00 178.44 179.31 2g4r h ASP 147 N 0.27 0.08 -0.46 1.25 3.32 -1.86 -0.41 116.42 118.60 2g4r h ASP 147 Ca 0.08 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 2g4r h ASP 147 Cb 0.42 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 2g4r h ASP 147 CO 0.01 0.08 0.05 -0.74 -1.72 0.00 0.00 179.24 176.92 2g4r h HIS 148 N 0.25 0.84 -0.62 4.55 2.76 -1.85 -1.27 115.15 119.82 2g4r h HIS 148 Ca 0.18 -0.13 0.05 0.00 -2.20 0.00 0.00 60.37 58.28 2g4r h HIS 148 Cb 0.19 -0.23 -0.05 0.00 1.55 0.00 0.00 27.41 28.88 2g4r h HIS 148 CO -0.17 0.80 0.34 0.00 -1.30 0.00 0.00 177.93 177.60 2g4r h ALA 149 N 0.94 0.81 -0.28 5.26 0.00 -0.72 0.10 119.26 125.38 2g4r h ALA 149 Ca 0.14 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 2g4r h ALA 149 Cb 0.43 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2g4r h ALA 149 CO 0.01 0.02 -0.40 -0.07 0.00 0.00 0.00 179.25 178.81 2g4r h LEU 150 N 0.64 0.72 -0.55 0.00 3.38 -0.92 -1.11 115.31 117.46 2g4r h LEU 150 Ca 0.27 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2g4r h LEU 150 Cb 0.15 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2g4r h LEU 150 CO -0.17 1.04 0.28 -0.08 0.09 0.00 0.00 178.44 179.60 2g4r h GLU 151 N 0.55 0.79 -0.32 1.13 4.81 -0.74 -2.85 114.58 117.94 2g4r h GLU 151 Ca 0.05 -0.11 -0.17 0.00 -0.13 0.00 0.00 59.36 59.00 2g4r h GLU 151 Cb 0.93 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 2g4r h GLU 151 CO 0.08 0.63 -0.47 1.96 -0.73 0.00 0.00 179.01 180.48 2g4r h GLN 152 N 0.75 0.87 -0.24 1.92 1.08 -0.51 -2.80 115.11 116.18 2g4r h GLN 152 Ca 0.19 -0.51 -0.00 0.00 -1.45 0.00 0.00 58.65 56.89 2g4r h GLN 152 Cb 0.09 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 2g4r h GLN 152 CO -0.03 1.15 0.14 0.82 -0.95 0.00 0.00 178.83 179.96 2g4r h ILE 153 N 0.69 1.07 -0.00 2.54 2.04 -1.15 -3.51 117.51 119.18 2g4r h ILE 153 Ca 0.04 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2g4r h ILE 153 Cb 1.06 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 2g4r h ILE 153 CO 0.11 0.07 0.00 0.00 0.00 0.00 0.00 178.15 178.33