#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 2.86 0.05 2.89 1.04 -1.26 -2.74 113.70 116.54 2g4r s SER 5 Ca 0.00 -0.65 0.01 0.00 0.48 0.00 0.00 55.95 55.79 2g4r s SER 5 Cb 0.00 -0.20 -0.03 0.00 0.10 0.00 0.00 66.02 65.89 2g4r s SER 5 CO 0.00 0.15 -0.05 0.00 0.98 0.00 0.00 173.24 174.32 2g4r s ALA 6 N -0.99 0.55 0.04 5.32 0.00 -1.26 -2.17 121.76 123.25 2g4r s ALA 6 Ca 0.10 -0.95 0.09 0.00 0.00 0.00 0.00 51.96 51.20 2g4r s ALA 6 Cb -0.10 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 2g4r s ALA 6 CO 0.04 -0.17 -0.26 1.03 0.00 0.00 0.00 175.76 176.40 2g4r s ARG 7 N -2.55 1.83 -0.20 0.00 0.52 -0.49 -4.32 118.95 113.75 2g4r s ARG 7 Ca -0.03 -1.10 -0.05 0.00 -0.52 0.00 0.00 55.73 54.03 2g4r s ARG 7 Cb -0.03 -2.00 -0.02 0.00 0.52 0.00 0.00 34.95 33.42 2g4r s ARG 7 CO -0.03 0.52 -0.00 0.42 0.02 0.00 0.00 175.30 176.22 2g4r s ILE 8 N -0.81 3.94 -0.37 1.52 1.01 -1.26 -0.89 121.20 124.35 2g4r s ILE 8 Ca 0.12 -0.32 -0.02 0.00 0.00 0.00 0.00 60.65 60.43 2g4r s ILE 8 Cb -0.10 -2.78 0.09 0.00 0.01 0.00 0.00 42.46 39.68 2g4r s ILE 8 CO 0.02 0.43 0.13 -0.69 0.00 0.00 0.00 174.94 174.82 2g4r s VAL 9 N 1.02 3.11 -0.11 2.92 1.01 0.45 0.21 120.40 129.00 2g4r s VAL 9 Ca 0.02 -1.87 -0.30 0.00 0.00 0.00 0.00 61.98 59.83 2g4r s VAL 9 Cb -0.14 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 2g4r s VAL 9 CO 0.02 -0.50 1.02 -0.69 0.00 0.00 0.00 175.10 174.95 2g4r s VAL 10 N 1.15 4.74 -0.42 2.92 1.01 -0.26 -1.27 120.40 128.28 2g4r s VAL 10 Ca 0.04 2.01 -0.08 0.00 0.00 0.00 0.00 61.98 63.95 2g4r s VAL 10 Cb -0.21 -4.29 0.08 0.00 0.00 0.00 0.00 36.38 31.95 2g4r s VAL 10 CO -0.04 -0.01 0.25 -0.69 0.00 0.00 0.00 175.10 174.62 2g4r s VAL 11 N 2.11 4.12 -0.30 2.92 1.01 0.15 -0.88 120.40 129.53 2g4r s VAL 11 Ca 0.49 -1.46 -0.10 0.00 0.00 0.00 0.00 61.98 60.90 2g4r s VAL 11 Cb -0.18 -3.54 0.13 0.00 0.00 0.00 0.00 36.38 32.78 2g4r s VAL 11 CO 0.17 -0.52 0.65 -0.55 0.00 0.00 0.00 175.10 174.86 2g4r s SER 12 N 2.09 -1.14 0.20 3.32 0.15 -0.21 -4.11 113.70 114.00 2g4r s SER 12 Ca 0.03 1.58 -0.11 0.00 0.70 0.00 0.00 55.95 58.15 2g4r s SER 12 Cb -0.23 2.29 0.14 0.00 -1.71 0.00 0.00 66.02 66.50 2g4r s SER 12 CO 0.01 -0.22 1.87 0.28 1.20 0.00 0.00 173.24 176.39 2g4r h SER 13 N 7.97 0.82 -0.64 5.45 0.02 -1.86 -0.04 113.55 125.27 2g4r h SER 13 Ca -0.18 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.72 2g4r h SER 13 Cb 1.10 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.41 2g4r h SER 13 CO 0.10 0.59 0.28 0.03 -1.14 0.00 0.00 176.83 176.70 2g4r h ARG 14 N 0.96 0.94 -0.34 3.45 3.08 -1.96 -0.20 114.38 120.30 2g4r h ARG 14 Ca 0.26 -0.15 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 2g4r h ARG 14 Cb -0.11 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.77 2g4r h ARG 14 CO -0.06 0.77 -0.20 0.00 -1.07 0.00 0.00 179.97 179.41 2g4r h ALA 15 N 1.12 0.48 -0.87 0.04 0.00 -1.68 0.15 119.26 118.50 2g4r h ALA 15 Ca 0.22 -0.36 0.14 0.00 0.00 0.00 0.00 54.91 54.91 2g4r h ALA 15 Cb 0.16 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 2g4r h ALA 15 CO -0.02 0.43 0.56 0.00 0.00 0.00 0.00 179.25 180.22 2g4r h ALA 16 N 0.77 1.87 0.00 0.00 0.00 -0.89 -1.63 119.26 119.38 2g4r h ALA 16 Ca 0.07 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2g4r h ALA 16 Cb 0.74 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2g4r h ALA 16 CO 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.21 2g4r n ALA 17 N -2.44 2.28 -1.00 0.00 0.00 -0.10 -4.90 120.51 114.35 2g4r n ALA 17 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2g4r n ALA 17 Cb 0.47 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.47 2g4r n ALA 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2g4r n GLY 18 N 1.36 0.51 0.08 0.00 0.00 -0.61 -4.92 105.19 101.60 2g4r n GLY 18 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 2g4r n GLY 18 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2g4r h VAL 19 N 0.00 1.44 -2.74 1.61 2.07 -0.96 -3.45 116.25 114.22 2g4r h VAL 19 Ca 0.00 -3.16 -0.62 0.00 0.82 0.00 0.00 66.70 63.74 2g4r h VAL 19 Cb 0.06 2.76 -0.14 0.00 -1.52 0.00 0.00 31.29 32.44 2g4r h VAL 19 CO 0.00 0.85 -0.74 -0.31 0.02 0.00 0.00 177.57 177.38 2g4r s TYR 20 N -2.67 2.49 0.12 1.57 1.51 -0.66 -4.94 117.35 114.77 2g4r s TYR 20 Ca -0.02 -0.28 -0.14 0.00 -1.01 0.00 0.00 57.07 55.62 2g4r s TYR 20 Cb 0.09 -1.17 -0.07 0.00 -0.11 0.00 0.00 41.96 40.70 2g4r s TYR 20 CO 0.83 0.57 0.52 0.95 -1.11 0.00 0.00 175.55 177.32 2g4r s THR 21 N -1.98 4.89 -0.63 -0.71 -4.23 -1.26 -4.31 115.64 107.40 2g4r s THR 21 Ca 0.26 0.82 -0.24 0.00 -1.18 0.00 0.00 61.69 61.35 2g4r s THR 21 Cb -0.07 -3.74 0.05 0.00 1.34 0.00 0.00 72.50 70.08 2g4r s THR 21 CO 0.15 0.30 1.01 -0.62 -0.54 0.00 0.00 174.62 174.91 2g4r s ASP 22 N -1.63 6.23 -0.08 3.99 2.15 -1.26 -4.86 116.67 121.20 2g4r s ASP 22 Ca 0.36 -0.66 0.14 0.00 0.43 0.00 0.00 52.55 52.81 2g4r s ASP 22 Cb -0.15 -2.45 -0.24 0.00 -0.30 0.00 0.00 42.92 39.78 2g4r s ASP 22 CO 0.19 -1.43 0.51 -0.90 -0.17 0.00 0.00 175.17 173.36 2g4r n ASP 23 N 7.90 0.66 -0.06 -0.34 3.85 -1.26 -4.51 116.55 122.80 2g4r n ASP 23 Ca -0.01 0.31 -0.16 0.00 -0.71 0.00 0.00 54.79 54.23 2g4r n ASP 23 Cb 0.47 0.20 -0.06 0.00 -1.35 0.00 0.00 41.12 40.39 2g4r n ASP 23 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2g4r h GLY 25 N 0.55 -0.15 1.85 0.00 0.00 -1.96 -0.82 103.07 102.54 2g4r h GLY 25 Ca -0.01 0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.70 2g4r h GLY 25 CO 0.13 -0.21 0.09 -2.55 0.00 0.00 0.00 176.54 174.00 2g4r h PRO 26 N -0.22 0.20 -0.32 4.80 0.11 -1.81 -0.87 132.00 133.90 2g4r h PRO 26 Ca 0.18 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.21 2g4r h PRO 26 Cb 0.52 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 2g4r h PRO 26 CO -0.53 0.14 -0.07 0.82 -0.21 0.00 0.00 178.00 178.15 2g4r h ILE 27 N 0.21 1.28 -0.22 4.15 2.04 -1.35 -2.73 117.51 120.89 2g4r h ILE 27 Ca 0.06 -1.10 -0.10 0.00 1.00 0.00 0.00 64.86 64.71 2g4r h ILE 27 Cb -0.01 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 2g4r h ILE 27 CO -0.01 0.36 -0.25 0.40 0.00 0.00 0.00 178.15 178.64 2g4r h ILE 28 N 0.38 1.32 -0.53 -0.67 2.04 -1.00 -3.05 117.51 116.00 2g4r h ILE 28 Ca 0.08 -1.43 0.10 0.00 1.00 0.00 0.00 64.86 64.60 2g4r h ILE 28 Cb 0.55 1.75 -0.08 0.00 -0.74 0.00 0.00 36.82 38.30 2g4r h ILE 28 CO 0.03 0.44 0.09 0.00 0.00 0.00 0.00 178.15 178.72 2g4r h ALA 29 N 0.65 0.60 -0.57 1.87 0.00 -1.17 -1.99 119.26 118.64 2g4r h ALA 29 Ca 0.03 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2g4r h ALA 29 Cb 0.82 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2g4r h ALA 29 CO 0.06 -0.32 0.18 0.78 0.00 0.00 0.00 179.25 179.95 2g4r h GLY 30 N 0.23 0.93 0.97 0.00 0.00 -1.49 -2.33 103.07 101.37 2g4r h GLY 30 Ca 0.27 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 2g4r h GLY 30 CO -0.37 0.48 0.22 -0.25 0.00 0.00 0.00 176.54 176.63 2g4r h TRP 31 N 0.84 0.66 -0.81 5.60 7.01 -1.35 -2.95 115.95 124.94 2g4r h TRP 31 Ca 0.19 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.15 2g4r h TRP 31 Cb 0.24 -0.21 -0.04 0.00 -2.10 0.00 0.00 29.16 27.06 2g4r h TRP 31 CO 0.02 0.53 0.46 -0.07 -2.79 0.00 0.00 178.44 176.59 2g4r h LEU 32 N 0.60 1.01 -1.21 0.65 3.38 -0.85 -2.56 115.31 116.33 2g4r h LEU 32 Ca 0.16 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.07 2g4r h LEU 32 Cb 0.11 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 2g4r h LEU 32 CO -0.02 0.80 0.54 -0.33 0.09 0.00 0.00 178.44 179.52 2g4r h GLU 33 N 1.13 1.02 0.00 1.13 5.08 -1.31 -0.62 114.58 121.00 2g4r h GLU 33 Ca 0.29 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2g4r h GLU 33 Cb 0.01 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.03 2g4r h GLU 33 CO -0.05 0.67 0.00 1.96 -1.00 0.00 0.00 179.01 180.59 2g4r h GLN 34 N 1.05 0.00 -0.50 2.33 4.20 -1.30 -2.40 115.11 118.49 2g4r h GLN 34 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 2g4r h GLN 34 Cb -0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 2g4r h GLN 34 CO -0.09 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 178.79 2g4r n HIS 35 N -2.60 1.47 -2.34 2.96 8.25 -0.27 -4.94 115.22 117.75 2g4r n HIS 35 Ca 0.01 -0.71 0.00 0.00 -0.26 0.00 0.00 57.72 56.75 2g4r n HIS 35 Cb 0.22 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 30.99 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 0.47 0.94 3.66 -1.41 0.00 -0.90 -5.02 105.19 102.93 2g4r n GLY 36 Ca 0.24 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.90 3.25 -0.08 1.61 0.40 -1.04 -3.78 117.98 115.44 2g4r s PHE 37 Ca 0.00 0.11 -0.01 0.00 -0.60 0.00 0.00 56.93 56.43 2g4r s PHE 37 Cb 0.00 -1.99 -0.01 0.00 0.51 0.00 0.00 43.02 41.53 2g4r s PHE 37 CO 0.00 0.27 0.06 0.77 0.70 0.00 0.00 175.22 177.02 2g4r h SER 38 N 6.18 -0.04 0.00 1.36 0.02 -1.86 -3.39 113.55 115.82 2g4r h SER 38 Ca -0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 2g4r h SER 38 Cb 1.18 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2g4r h SER 38 CO 0.65 0.37 0.00 -1.20 -1.14 0.00 0.00 176.83 175.51 2g4r n SER 39 N -4.35 0.00 -4.57 3.07 7.64 -1.26 -5.03 113.62 109.12 2g4r n SER 39 Ca -0.01 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.57 2g4r n SER 39 Cb 0.02 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.12 2g4r n SER 39 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2g4r s VAL 40 N 0.00 3.38 0.27 0.44 0.11 -1.26 -5.06 120.40 118.28 2g4r s VAL 40 Ca 0.00 -1.15 -0.30 0.00 -2.93 0.00 0.00 61.98 57.60 2g4r s VAL 40 Cb 0.00 -2.55 -0.13 0.00 -1.53 0.00 0.00 36.38 32.17 2g4r s VAL 40 CO 0.00 0.19 1.30 0.00 -3.33 0.00 0.00 175.10 173.26 2g4r n GLN 41 N 0.96 1.90 -0.44 1.54 6.02 -1.26 -4.90 117.38 121.20 2g4r n GLN 41 Ca -0.14 0.67 -0.30 0.00 -0.01 0.00 0.00 57.00 57.22 2g4r n GLN 41 Cb 0.52 -2.25 0.28 0.00 1.02 0.00 0.00 30.24 29.81 2g4r n GLN 41 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 2g4r s PRO 42 N -0.98 -2.61 0.23 -1.09 0.02 -1.26 -4.33 135.00 124.97 2g4r s PRO 42 Ca 0.64 0.21 0.09 0.00 0.02 0.00 0.00 61.00 61.95 2g4r s PRO 42 Cb -0.65 -1.41 -0.05 0.00 0.02 0.00 0.00 34.50 32.41 2g4r s PRO 42 CO 0.55 -4.68 -0.16 -0.65 -0.33 0.00 0.00 177.00 171.73 2g4r s GLN 43 N -5.01 1.43 -0.08 5.54 -0.21 0.13 -4.91 119.66 116.55 2g4r s GLN 43 Ca 0.69 -1.64 -0.00 0.00 0.02 0.00 0.00 55.36 54.43 2g4r s GLN 43 Cb -0.14 -1.29 0.02 0.00 1.00 0.00 0.00 33.01 32.59 2g4r s GLN 43 CO 0.59 0.22 -0.05 0.08 -2.12 0.00 0.00 175.29 174.01 2g4r s VAL 44 N -2.85 0.71 0.13 1.09 1.01 -1.26 -1.10 120.40 118.13 2g4r s VAL 44 Ca 0.25 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.13 2g4r s VAL 44 Cb -0.02 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 2g4r s VAL 44 CO 0.09 0.30 -0.10 0.68 0.00 0.00 0.00 175.10 176.07 2g4r s VAL 45 N 1.47 1.10 0.76 2.92 -7.23 -0.06 -4.74 120.40 114.62 2g4r s VAL 45 Ca -0.01 -1.91 -0.11 0.00 -1.81 0.00 0.00 61.98 58.14 2g4r s VAL 45 Cb -0.13 -1.68 0.05 0.00 0.56 0.00 0.00 36.38 35.17 2g4r s VAL 45 CO -0.04 -0.68 1.08 0.00 -0.31 0.00 0.00 175.10 175.16 2g4r s ALA 46 N -3.01 2.36 0.70 1.32 0.00 -1.26 -1.05 121.76 120.83 2g4r s ALA 46 Ca 0.13 0.16 -0.16 0.00 0.00 0.00 0.00 51.96 52.08 2g4r s ALA 46 Cb 0.01 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.91 2g4r s ALA 46 CO 0.00 -1.61 1.04 -0.25 0.00 0.00 0.00 175.76 174.94 2g4r n ASP 47 N -3.41 0.83 0.00 0.00 8.00 -1.26 -4.00 116.55 116.71 2g4r n ASP 47 Ca 0.08 0.70 0.00 0.00 0.71 0.00 0.00 54.79 56.29 2g4r n ASP 47 Cb 0.53 -1.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.20 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 1.04 0.76 0.36 0.44 0.00 -1.26 -4.43 105.19 102.10 2g4r n GLY 48 Ca 0.14 -1.32 0.13 0.00 0.00 0.00 0.00 46.02 44.97 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 4.04 0.36 -0.39 1.61 -0.26 -1.96 0.95 115.58 119.92 2g4r h ASN 49 Ca 0.00 0.01 0.08 0.00 -0.56 0.00 0.00 56.30 55.83 2g4r h ASN 49 Cb 0.00 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.18 2g4r h ASN 49 CO 0.00 0.21 0.27 -0.65 -1.06 0.00 0.00 177.43 176.20 2g4r h PRO 50 N 0.39 0.18 0.02 0.81 0.11 -1.77 -2.04 132.00 129.70 2g4r h PRO 50 Ca 0.29 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.41 2g4r h PRO 50 Cb 0.63 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.67 2g4r h PRO 50 CO -0.08 0.12 -0.12 0.28 -0.21 0.00 0.00 178.00 177.99 2g4r h VAL 51 N 0.19 0.70 -0.69 3.15 2.07 -0.93 -0.63 116.25 120.11 2g4r h VAL 51 Ca 0.18 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.79 2g4r h VAL 51 Cb 0.46 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 30.86 2g4r h VAL 51 CO -0.03 0.00 0.34 1.23 0.02 0.00 0.00 177.57 179.13 2g4r h GLY 52 N -0.22 1.02 0.79 2.17 0.00 -1.51 -0.75 103.07 104.57 2g4r h GLY 52 Ca 0.04 -0.21 0.03 0.00 0.00 0.00 0.00 47.33 47.18 2g4r h GLY 52 CO -0.11 0.06 0.12 0.83 0.00 0.00 0.00 176.54 177.44 2g4r h GLU 53 N 0.59 0.26 -0.30 4.80 5.08 -1.03 -0.23 114.58 123.74 2g4r h GLU 53 Ca 0.34 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.57 2g4r h GLU 53 Cb 0.34 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2g4r h GLU 53 CO -0.26 0.17 -0.23 0.00 -1.00 0.00 0.00 179.01 177.69 2g4r h ALA 54 N 1.18 0.44 -0.60 3.43 0.00 -0.55 -1.15 119.26 122.00 2g4r h ALA 54 Ca 0.13 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 2g4r h ALA 54 Cb 0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2g4r h ALA 54 CO -0.12 0.40 0.19 -0.07 0.00 0.00 0.00 179.25 179.65 2g4r h LEU 55 N 0.44 0.88 -0.62 0.00 3.38 -1.01 -1.54 115.31 116.85 2g4r h LEU 55 Ca 0.06 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 2g4r h LEU 55 Cb 0.78 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2g4r h LEU 55 CO 0.06 0.86 0.02 0.45 0.09 0.00 0.00 178.44 179.92 2g4r h HIS 56 N 0.86 1.17 -0.57 1.13 3.86 -0.92 0.97 115.15 121.65 2g4r h HIS 56 Ca 0.19 -0.20 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 2g4r h HIS 56 Cb 0.29 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.43 2g4r h HIS 56 CO 0.02 1.02 0.38 0.22 0.86 0.00 0.00 177.93 180.43 2g4r h ASP 57 N 0.98 0.66 -0.13 2.45 3.58 -1.07 -0.61 116.42 122.27 2g4r h ASP 57 Ca 0.18 -0.02 -0.14 0.00 0.42 0.00 0.00 57.03 57.47 2g4r h ASP 57 Cb 0.54 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 2g4r h ASP 57 CO 0.03 0.48 -0.40 0.00 -2.88 0.00 0.00 179.24 176.47 2g4r h ALA 58 N 1.21 0.78 -0.09 -0.78 0.00 -0.91 -1.57 119.26 117.90 2g4r h ALA 58 Ca 0.21 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2g4r h ALA 58 Cb -0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2g4r h ALA 58 CO -0.05 0.65 -0.02 0.28 0.00 0.00 0.00 179.25 180.12 2g4r h VAL 59 N 0.55 1.29 -0.93 0.00 2.07 -0.58 -2.09 116.25 116.55 2g4r h VAL 59 Ca 0.05 -0.95 0.17 0.00 0.82 0.00 0.00 66.70 66.80 2g4r h VAL 59 Cb 0.92 1.74 -0.08 0.00 -1.52 0.00 0.00 31.29 32.36 2g4r h VAL 59 CO 0.08 0.27 0.60 0.78 0.02 0.00 0.00 177.57 179.31 2g4r h ASN 60 N -0.16 0.62 1.54 0.57 2.35 -1.10 -0.67 115.58 118.72 2g4r h ASN 60 Ca 0.02 0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2g4r h ASN 60 Cb 0.43 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 2g4r h ASN 60 CO 0.01 0.27 -0.02 0.00 -1.65 0.00 0.00 177.43 176.04 2g4r h ALA 61 N 1.61 0.99 -0.13 -0.83 0.00 -1.15 -3.47 119.26 116.27 2g4r h ALA 61 Ca 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2g4r h ALA 61 Cb 0.91 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2g4r h ALA 61 CO -0.24 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.44 2g4r n GLY 62 N 0.62 0.96 3.77 0.00 0.00 -0.26 -5.04 105.19 105.23 2g4r n GLY 62 Ca 0.02 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.13 3.09 0.24 1.61 -7.23 -1.11 -4.95 120.40 109.91 2g4r s VAL 63 Ca 0.00 0.65 0.00 0.00 -1.81 0.00 0.00 61.98 60.82 2g4r s VAL 63 Cb 0.00 -3.24 0.01 0.00 0.56 0.00 0.00 36.38 33.71 2g4r s VAL 63 CO 0.00 -0.17 1.62 0.44 -0.31 0.00 0.00 175.10 176.68 2g4r h ASP 64 N 0.99 0.53 -4.18 4.85 3.32 -1.72 -3.39 116.42 116.82 2g4r h ASP 64 Ca -0.50 -0.23 -0.18 0.00 0.02 0.00 0.00 57.03 56.15 2g4r h ASP 64 Cb 1.27 -0.15 -0.25 0.00 0.22 0.00 0.00 39.33 40.42 2g4r h ASP 64 CO 0.56 0.87 -0.53 0.68 -1.72 0.00 0.00 179.24 179.10 2g4r s VAL 65 N -4.24 0.03 -0.14 -1.35 -7.23 -1.02 -1.62 120.40 104.83 2g4r s VAL 65 Ca -0.07 -0.23 0.02 0.00 -1.81 0.00 0.00 61.98 59.89 2g4r s VAL 65 Cb 0.13 -0.28 0.01 0.00 0.56 0.00 0.00 36.38 36.79 2g4r s VAL 65 CO 0.81 -0.13 -0.21 -0.63 -0.31 0.00 0.00 175.10 174.63 2g4r s ILE 66 N -0.41 1.97 -0.23 -0.62 1.01 0.13 -1.39 121.20 121.67 2g4r s ILE 66 Ca -0.05 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 59.63 2g4r s ILE 66 Cb -0.03 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 40.67 2g4r s ILE 66 CO 0.01 0.53 -0.00 -0.63 0.00 0.00 0.00 174.94 174.84 2g4r s ILE 67 N 0.85 3.68 0.19 2.92 1.01 -0.07 -0.83 121.20 128.96 2g4r s ILE 67 Ca -0.07 -0.39 0.04 0.00 0.00 0.00 0.00 60.65 60.24 2g4r s ILE 67 Cb -0.15 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 2g4r s ILE 67 CO -0.02 0.39 0.24 0.42 0.00 0.00 0.00 174.94 175.97 2g4r s THR 68 N 1.52 4.92 -0.07 2.92 -4.23 -0.18 -0.41 115.64 120.11 2g4r s THR 68 Ca 0.06 -0.98 -0.01 0.00 -1.18 0.00 0.00 61.69 59.58 2g4r s THR 68 Cb -0.15 -3.57 0.03 0.00 1.34 0.00 0.00 72.50 70.15 2g4r s THR 68 CO -0.01 -0.19 -0.00 -0.55 -0.54 0.00 0.00 174.62 173.33 2g4r s SER 69 N -3.44 1.46 0.00 3.99 0.15 -0.39 0.86 113.70 116.33 2g4r s SER 69 Ca 0.33 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.90 2g4r s SER 69 Cb -0.10 -0.42 0.00 0.00 -1.71 0.00 0.00 66.02 63.79 2g4r s SER 69 CO 0.26 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.13 2g4r n GLY 70 N 5.02 0.86 2.23 9.45 0.00 -0.59 0.34 105.19 122.48 2g4r n GLY 70 Ca -0.09 -1.88 -0.08 0.00 0.00 0.00 0.00 46.02 43.97 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 1.15 0.98 0.62 -0.02 0.00 -1.26 -4.68 105.19 101.98 2g4r n GLY 71 Ca 0.00 -0.69 0.10 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.78 0.00 0.00 2.61 -2.24 -1.26 -1.14 114.28 109.47 2g4r n THR 72 Ca -0.08 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 2g4r n THR 72 Cb 0.26 1.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 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 1.19 -1.69 0.22 3.38 0.00 -1.26 -0.19 105.19 106.83 2g4r n GLY 73 Ca 0.10 -1.47 0.05 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.35 1.48 -1.82 -0.61 -5.35 -1.26 -4.72 119.36 106.73 2g4r n ILE 74 Ca 0.00 -1.57 -0.30 0.00 -0.27 0.00 0.00 62.75 60.61 2g4r n ILE 74 Cb 0.00 0.14 0.05 0.00 -1.74 0.00 0.00 39.64 38.09 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 -1.79 5.39 0.55 7.28 1.04 -1.26 -4.95 113.70 119.96 2g4r s SER 75 Ca 0.20 1.21 0.26 0.00 0.48 0.00 0.00 55.95 58.10 2g4r s SER 75 Cb 0.16 -2.03 1.60 0.00 0.10 0.00 0.00 66.02 65.84 2g4r s SER 75 CO 0.04 -1.39 2.18 -0.65 0.98 0.00 0.00 173.24 174.41 2g4r h PRO 76 N -0.69 0.00 -0.14 4.02 0.11 -2.03 -1.50 132.00 131.78 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 0.63 0.04 0.00 0.25 -0.21 0.00 0.00 178.00 178.71 2g4r n THR 77 N -3.96 0.15 -2.57 -1.15 -2.24 -1.26 -4.80 114.28 98.45 2g4r n THR 77 Ca -0.03 -0.50 -0.41 0.00 -2.27 0.00 0.00 64.05 60.84 2g4r n THR 77 Cb 0.13 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.39 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 -1.82 6.28 -0.05 3.42 1.01 -0.57 -4.58 116.67 120.36 2g4r s ASP 78 Ca 0.33 -0.83 0.08 0.00 0.71 0.00 0.00 52.55 52.84 2g4r s ASP 78 Cb 0.21 -2.55 0.12 0.00 1.01 0.00 0.00 42.92 41.70 2g4r s ASP 78 CO 0.31 -1.70 1.01 0.35 0.21 0.00 0.00 175.17 175.34 2g4r n THR 79 N 6.51 0.93 -0.16 -1.27 -2.24 -1.02 -4.81 114.28 112.22 2g4r n THR 79 Ca 0.13 -1.09 -0.05 0.00 -2.27 0.00 0.00 64.05 60.77 2g4r n THR 79 Cb 0.49 0.25 0.04 0.00 -2.10 0.00 0.00 70.33 69.01 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 2.63 0.98 -0.93 4.28 2.02 -1.42 -2.26 112.91 118.20 2g4r h THR 80 Ca 0.00 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 2g4r h THR 80 Cb 1.06 0.44 -0.05 0.00 -1.74 0.00 0.00 68.15 67.86 2g4r h THR 80 CO 0.00 0.09 0.56 -0.65 0.37 0.00 0.00 175.52 175.89 2g4r h PRO 81 N 0.50 1.27 0.05 6.66 0.11 -1.84 -0.69 132.00 138.06 2g4r h PRO 81 Ca 0.21 -0.12 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 2g4r h PRO 81 Cb 0.10 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 30.94 2g4r h PRO 81 CO -0.13 0.89 -0.02 0.93 -0.21 0.00 0.00 178.00 179.45 2g4r h GLU 82 N 1.29 -0.07 0.00 1.05 3.07 -1.83 0.37 114.58 118.46 2g4r h GLU 82 Ca 0.34 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 59.11 2g4r h GLU 82 Cb -0.05 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 2g4r h GLU 82 CO -0.06 -0.03 -0.40 0.45 -1.40 0.00 0.00 179.01 177.57 2g4r h HIS 83 N -0.08 0.00 0.02 4.33 3.86 -1.06 -2.36 115.15 119.85 2g4r h HIS 83 Ca -0.01 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2g4r h HIS 83 Cb 0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 2g4r h HIS 83 CO -0.07 0.40 -0.01 1.15 0.86 0.00 0.00 177.93 180.26 2g4r h THR 84 N 0.00 1.38 -0.28 2.45 2.02 -0.78 -2.85 112.91 114.86 2g4r h THR 84 Ca -0.00 -1.27 0.02 0.00 0.77 0.00 0.00 66.41 65.93 2g4r h THR 84 Cb 0.79 2.23 -0.01 0.00 -1.74 0.00 0.00 68.15 69.42 2g4r h THR 84 CO 0.05 0.32 0.19 0.58 0.37 0.00 0.00 175.52 177.03 2g4r h VAL 85 N -0.58 1.02 -0.27 3.16 2.07 -0.81 0.55 116.25 121.39 2g4r h VAL 85 Ca -0.00 -0.10 -0.08 0.00 0.82 0.00 0.00 66.70 67.34 2g4r h VAL 85 Cb 0.55 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2g4r h VAL 85 CO 0.00 0.05 -0.17 0.00 0.02 0.00 0.00 177.57 177.47 2g4r h ALA 86 N 1.84 1.20 0.15 1.67 0.00 -1.38 -3.00 119.26 119.74 2g4r h ALA 86 Ca 0.11 -0.30 -0.32 0.00 0.00 0.00 0.00 54.91 54.41 2g4r h ALA 86 Cb 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2g4r h ALA 86 CO -0.02 0.51 -1.59 0.28 0.00 0.00 0.00 179.25 178.43 2g4r h VAL 87 N 0.43 1.10 -4.04 0.00 2.07 -1.10 -3.47 116.25 111.24 2g4r h VAL 87 Ca 0.07 -2.71 -0.55 0.00 0.82 0.00 0.00 66.70 64.34 2g4r h VAL 87 Cb 0.56 2.78 0.13 0.00 -1.52 0.00 0.00 31.29 33.23 2g4r h VAL 87 CO 0.04 0.83 0.60 -0.76 0.02 0.00 0.00 177.57 178.29 2g4r s LEU 88 N -7.10 3.87 0.08 2.57 1.43 0.11 -4.76 118.68 114.87 2g4r s LEU 88 Ca -0.11 2.73 -0.11 0.00 -1.03 0.00 0.00 54.13 55.61 2g4r s LEU 88 Cb 0.06 -4.26 -0.22 0.00 0.03 0.00 0.00 46.19 41.80 2g4r s LEU 88 CO 0.86 -1.51 1.18 0.44 0.23 0.00 0.00 176.35 177.56 2g4r h ASP 89 N 1.53 0.78 -4.99 2.29 3.32 -1.28 -3.48 116.42 114.58 2g4r h ASP 89 Ca -0.51 -0.67 -0.01 0.00 0.02 0.00 0.00 57.03 55.87 2g4r h ASP 89 Cb 1.29 -0.24 -0.11 0.00 0.22 0.00 0.00 39.33 40.49 2g4r h ASP 89 CO 0.58 1.48 0.22 -0.72 -1.72 0.00 0.00 179.24 179.07 2g4r s TYR 90 N -3.14 -0.49 0.30 4.55 -0.85 -1.15 -5.03 117.35 111.53 2g4r s TYR 90 Ca -0.08 0.25 0.06 0.00 -0.52 0.00 0.00 57.07 56.77 2g4r s TYR 90 Cb 0.07 0.58 -0.02 0.00 0.38 0.00 0.00 41.96 42.97 2g4r s TYR 90 CO 0.91 -0.89 0.43 0.14 -1.52 0.00 0.00 175.55 174.61 2g4r s VAL 91 N -3.76 4.58 -0.54 -3.49 -7.23 -1.26 -2.14 120.40 106.56 2g4r s VAL 91 Ca 0.02 -0.99 0.04 0.00 -1.81 0.00 0.00 61.98 59.25 2g4r s VAL 91 Cb -0.02 -3.60 0.14 0.00 0.56 0.00 0.00 36.38 33.46 2g4r s VAL 91 CO -0.10 -0.23 0.30 -0.63 -0.31 0.00 0.00 175.10 174.12 2g4r s ILE 92 N -2.10 2.49 0.26 -0.62 1.01 0.75 -4.88 121.20 118.11 2g4r s ILE 92 Ca 0.40 -3.40 -0.04 0.00 0.00 0.00 0.00 60.65 57.61 2g4r s ILE 92 Cb -0.09 -2.71 0.19 0.00 0.01 0.00 0.00 42.46 39.85 2g4r s ILE 92 CO 0.30 -0.85 1.85 1.55 0.00 0.00 0.00 174.94 177.79 2g4r h PRO 93 N 6.33 1.07 -0.07 2.79 0.13 -1.98 -3.05 132.00 137.22 2g4r h PRO 93 Ca -0.03 -0.16 -0.07 0.00 -0.87 0.00 0.00 66.00 64.87 2g4r h PRO 93 Cb 0.87 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 2g4r h PRO 93 CO 0.67 0.84 -0.27 0.78 -0.23 0.00 0.00 178.00 179.79 2g4r h GLY 94 N 1.11 0.13 0.37 1.56 0.00 -1.97 -0.77 103.07 103.51 2g4r h GLY 94 Ca 0.25 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 2g4r h GLY 94 CO -0.03 0.09 -0.01 -2.00 0.00 0.00 0.00 176.54 174.59 2g4r h LEU 95 N 0.11 0.02 -0.64 3.11 5.85 -1.94 -1.00 115.31 120.81 2g4r h LEU 95 Ca 0.02 -0.64 0.13 0.00 0.84 0.00 0.00 57.88 58.23 2g4r h LEU 95 Cb 0.54 -0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.45 2g4r h LEU 95 CO 0.04 0.65 -0.04 0.00 -0.34 0.00 0.00 178.44 178.75 2g4r h ALA 96 N 0.36 0.58 -0.48 1.25 0.00 -1.46 -0.98 119.26 118.54 2g4r h ALA 96 Ca -0.00 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2g4r h ALA 96 Cb 0.65 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2g4r h ALA 96 CO 0.00 -0.41 0.28 -0.44 0.00 0.00 0.00 179.25 178.68 2g4r h ASP 97 N 0.08 0.59 -0.64 0.00 3.32 -1.11 -1.81 116.42 116.85 2g4r h ASP 97 Ca 0.33 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.27 2g4r h ASP 97 Cb 0.54 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 2g4r h ASP 97 CO -0.58 0.49 0.28 0.00 -1.72 0.00 0.00 179.24 177.72 2g4r h ALA 98 N 1.12 1.24 -0.39 3.45 0.00 -0.66 -1.39 119.26 122.64 2g4r h ALA 98 Ca 0.17 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2g4r h ALA 98 Cb 0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2g4r h ALA 98 CO -0.03 0.56 -0.01 0.82 0.00 0.00 0.00 179.25 180.60 2g4r h ILE 99 N 0.95 1.26 -0.71 0.00 2.04 -0.94 -2.53 117.51 117.59 2g4r h ILE 99 Ca 0.23 -1.01 0.03 0.00 1.00 0.00 0.00 64.86 65.10 2g4r h ILE 99 Cb 0.16 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 2g4r h ILE 99 CO -0.02 0.34 0.45 0.03 0.00 0.00 0.00 178.15 178.95 2g4r h ARG 100 N 0.52 0.85 0.00 2.37 3.08 -0.91 -3.06 114.38 117.23 2g4r h ARG 100 Ca 0.11 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 2g4r h ARG 100 Cb 0.48 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 2g4r h ARG 100 CO 0.02 0.56 -0.13 0.00 -1.07 0.00 0.00 179.97 179.35 2g4r h ARG 101 N 0.87 0.00 0.00 0.04 3.08 -1.12 -3.07 114.38 114.18 2g4r h ARG 101 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2g4r h ARG 101 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2g4r h ARG 101 CO -0.11 0.13 0.00 0.66 -1.07 0.00 0.00 179.97 179.58 2g4r h SER 102 N 0.00 0.00 0.54 7.04 4.64 -1.35 -0.58 113.55 123.84 2g4r h SER 102 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2g4r h SER 102 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2g4r h SER 102 CO 0.02 0.00 -0.16 0.61 -0.87 0.00 0.00 176.83 176.43 2g4r n GLY 103 N -0.55 -1.13 3.90 -0.77 0.00 -1.16 -4.91 105.19 100.57 2g4r n GLY 103 Ca -0.01 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 2g4r n GLY 103 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2g4r s LEU 104 N -2.69 4.26 0.01 0.99 1.43 -0.23 -0.72 118.68 121.73 2g4r s LEU 104 Ca 0.22 0.20 0.29 0.00 -1.03 0.00 0.00 54.13 53.81 2g4r s LEU 104 Cb 0.19 -2.87 1.19 0.00 0.03 0.00 0.00 46.19 44.73 2g4r s LEU 104 CO 0.53 0.15 1.90 -0.81 0.23 0.00 0.00 176.35 178.35 2g4r n PRO 105 N 0.18 0.01 -0.21 1.29 -0.04 -1.26 -4.92 135.00 130.05 2g4r n PRO 105 Ca -0.06 0.01 -0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2g4r n PRO 105 Cb 0.52 -1.51 0.23 0.00 -0.04 0.00 0.00 33.50 32.69 2g4r n PRO 105 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 2g4r h LYS 106 N 0.00 0.97 -2.89 0.54 2.10 -1.93 -3.33 116.57 112.03 2g4r h LYS 106 Ca 0.00 -0.09 -0.61 0.00 -2.00 0.00 0.00 60.65 57.95 2g4r h LYS 106 Cb 0.51 -0.21 -0.41 0.00 -0.90 0.00 0.00 32.23 31.23 2g4r h LYS 106 CO 0.00 0.69 -0.71 0.08 -2.00 0.00 0.00 179.45 177.51 2g4r s VAL 107 N -5.72 2.01 0.53 0.07 1.01 0.10 -4.96 120.40 113.43 2g4r s VAL 107 Ca -0.11 -3.59 0.42 0.00 0.00 0.00 0.00 61.98 58.71 2g4r s VAL 107 Cb 0.17 -2.34 0.43 0.00 0.00 0.00 0.00 36.38 34.65 2g4r s VAL 107 CO 0.79 -1.05 2.28 -0.65 0.00 0.00 0.00 175.10 176.47 2g4r h PRO 108 N 5.67 0.00 0.00 2.72 0.11 -1.80 -0.77 132.00 137.94 2g4r h PRO 108 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2g4r h PRO 108 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2g4r h PRO 108 CO 0.59 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.63 2g4r n THR 109 N -3.09 0.95 -0.20 -1.15 -2.24 -1.26 -3.14 114.28 104.15 2g4r n THR 109 Ca -0.02 0.24 0.26 0.00 -2.27 0.00 0.00 64.05 62.25 2g4r n THR 109 Cb 0.13 -0.99 0.66 0.00 -2.10 0.00 0.00 70.33 68.03 2g4r n THR 109 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2g4r h SER 110 N 0.00 0.12 0.43 3.42 0.02 -1.46 -1.36 113.55 114.72 2g4r h SER 110 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2g4r h SER 110 Cb 0.23 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2g4r h SER 110 CO 0.00 0.04 0.00 1.33 -1.14 0.00 0.00 176.83 177.06 2g4r n VAL 111 N -4.35 1.05 0.73 2.27 0.24 -1.19 -2.57 118.33 114.52 2g4r n VAL 111 Ca 0.19 0.38 0.13 0.00 -2.04 0.00 0.00 64.34 63.00 2g4r n VAL 111 Cb 0.89 -1.29 0.43 0.00 -1.47 0.00 0.00 33.84 32.39 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 -1.99 0.58 -4.70 1.34 4.77 -0.51 -4.82 117.00 111.67 2g4r n LEU 112 Ca 0.01 0.49 -0.42 0.00 -0.03 0.00 0.00 56.01 56.06 2g4r n LEU 112 Cb 0.15 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.86 2g4r n LEU 112 CO 0.14 -0.11 1.12 -0.55 -1.33 0.00 0.00 177.39 176.66 2g4r s SER 113 N -4.03 6.82 -0.20 -1.43 0.15 -1.06 -4.49 113.70 109.45 2g4r s SER 113 Ca 0.11 2.23 0.11 0.00 0.70 0.00 0.00 55.95 59.09 2g4r s SER 113 Cb 0.14 -2.57 0.66 0.00 -1.71 0.00 0.00 66.02 62.54 2g4r s SER 113 CO 0.60 -0.71 1.52 0.54 1.20 0.00 0.00 173.24 176.39 2g4r n ARG 114 N 4.89 4.02 -1.73 5.44 1.74 0.73 -4.99 116.66 126.77 2g4r n ARG 114 Ca 0.13 -2.54 -0.40 0.00 -0.77 0.00 0.00 57.85 54.27 2g4r n ARG 114 Cb 0.43 -2.11 0.02 0.00 -1.02 0.00 0.00 32.46 29.77 2g4r n ARG 114 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2g4r n GLY 115 N 0.42 0.73 3.50 -0.13 0.00 -1.26 -4.70 105.19 103.75 2g4r n GLY 115 Ca 0.24 0.17 -0.24 0.00 0.00 0.00 0.00 46.02 46.19 2g4r n GLY 115 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2g4r s VAL 116 N -1.21 1.87 0.12 1.61 -7.23 -1.26 -4.86 120.40 109.44 2g4r s VAL 116 Ca 0.62 -2.12 0.05 0.00 -1.81 0.00 0.00 61.98 58.72 2g4r s VAL 116 Cb -0.48 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 33.78 2g4r s VAL 116 CO 0.57 -0.19 -0.12 0.00 -0.31 0.00 0.00 175.10 175.05 2g4r n GLY 118 N 0.42 -1.23 3.41 0.00 0.00 -0.24 -0.18 105.19 107.37 2g4r n GLY 118 Ca -0.15 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.79 2.85 -0.26 1.61 1.01 -0.91 -0.79 120.40 121.12 2g4r s VAL 119 Ca 0.00 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.22 2g4r s VAL 119 Cb 0.00 -2.12 0.07 0.00 0.00 0.00 0.00 36.38 34.33 2g4r s VAL 119 CO 0.00 0.57 -0.07 0.00 0.00 0.00 0.00 175.10 175.60 2g4r s ALA 120 N -0.38 2.43 0.00 5.51 0.00 -0.10 -0.83 121.76 128.39 2g4r s ALA 120 Ca 0.04 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.24 2g4r s ALA 120 Cb -0.12 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.40 2g4r s ALA 120 CO 0.02 -1.27 0.00 0.41 0.00 0.00 0.00 175.76 174.92 2g4r n GLY 121 N 4.48 1.71 0.40 0.00 0.00 -1.26 -0.92 105.19 109.60 2g4r n GLY 121 Ca -0.11 0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.06 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 1.58 2.02 -4.01 1.61 5.12 -1.26 -5.01 116.66 116.71 2g4r n ARG 122 Ca 0.00 -2.63 -0.35 0.00 -1.93 0.00 0.00 57.85 52.94 2g4r n ARG 122 Cb 0.00 -1.61 -0.11 0.00 -1.16 0.00 0.00 32.46 29.58 2g4r n ARG 122 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2g4r s THR 123 N -2.74 4.36 -0.08 0.55 2.01 -0.09 -4.73 115.64 114.92 2g4r s THR 123 Ca 0.34 -0.17 -0.27 0.00 0.31 0.00 0.00 61.69 61.90 2g4r s THR 123 Cb 0.29 -2.98 -0.03 0.00 0.01 0.00 0.00 72.50 69.79 2g4r s THR 123 CO 0.05 0.42 0.86 -0.22 -0.69 0.00 0.00 174.62 175.05 2g4r s LEU 124 N 0.85 4.29 -0.07 4.42 2.96 -0.64 -0.92 118.68 129.57 2g4r s LEU 124 Ca 0.02 1.38 0.05 0.00 -0.22 0.00 0.00 54.13 55.37 2g4r s LEU 124 Cb -0.14 -3.34 -0.01 0.00 0.50 0.00 0.00 46.19 43.20 2g4r s LEU 124 CO 0.02 -0.28 -0.23 -0.63 -1.32 0.00 0.00 176.35 173.92 2g4r s ILE 125 N 1.37 2.26 -0.14 6.68 1.01 0.03 0.22 121.20 132.63 2g4r s ILE 125 Ca 0.44 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 2g4r s ILE 125 Cb -0.19 -1.84 0.03 0.00 0.01 0.00 0.00 42.46 40.48 2g4r s ILE 125 CO 0.20 0.57 -0.05 -0.63 0.00 0.00 0.00 174.94 175.03 2g4r s ILE 126 N -0.14 0.95 -0.18 2.92 1.01 -0.01 -1.08 121.20 124.68 2g4r s ILE 126 Ca -0.04 -0.40 -0.27 0.00 0.00 0.00 0.00 60.65 59.94 2g4r s ILE 126 Cb -0.14 -1.09 -0.01 0.00 0.01 0.00 0.00 42.46 41.24 2g4r s ILE 126 CO 0.04 0.22 0.94 0.20 0.00 0.00 0.00 174.94 176.34 2g4r s ASN 127 N 1.72 7.07 0.17 3.58 0.01 0.01 -1.01 114.94 126.48 2g4r s ASN 127 Ca 0.03 1.32 0.06 0.00 -0.71 0.00 0.00 52.86 53.55 2g4r s ASN 127 Cb -0.14 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 38.98 2g4r s ASN 127 CO -0.08 -0.51 0.11 -0.76 -1.51 0.00 0.00 177.10 174.36 2g4r s LEU 128 N 2.50 3.70 1.02 0.60 1.43 0.25 -4.65 118.68 123.53 2g4r s LEU 128 Ca 0.42 -0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 53.22 2g4r s LEU 128 Cb -0.16 -2.32 0.20 0.00 0.03 0.00 0.00 46.19 43.93 2g4r s LEU 128 CO 0.11 0.07 1.08 -2.16 0.23 0.00 0.00 176.35 175.68 2g4r s PRO 129 N -3.08 0.26 0.00 1.29 0.04 -1.26 -1.55 135.00 130.70 2g4r s PRO 129 Ca 0.30 0.93 0.32 0.00 0.04 0.00 0.00 61.00 62.59 2g4r s PRO 129 Cb -0.10 -1.68 1.84 0.00 0.04 0.00 0.00 34.50 34.59 2g4r s PRO 129 CO 0.22 -2.95 2.19 0.41 0.04 0.00 0.00 177.00 176.91 2g4r n GLY 130 N -0.13 -1.02 3.86 0.56 0.00 -1.26 -3.31 105.19 103.88 2g4r n GLY 130 Ca 0.06 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.08 6.38 0.59 1.61 1.04 -1.26 -4.82 113.70 115.16 2g4r s SER 131 Ca 0.45 0.45 0.31 0.00 0.48 0.00 0.00 55.95 57.64 2g4r s SER 131 Cb 0.22 -2.08 1.86 0.00 0.10 0.00 0.00 66.02 66.12 2g4r s SER 131 CO 0.38 0.37 2.26 1.55 0.98 0.00 0.00 173.24 178.78 2g4r h PRO 132 N 5.23 0.00 -0.13 4.02 0.13 -1.97 0.88 132.00 140.16 2g4r h PRO 132 Ca -0.53 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.41 2g4r h PRO 132 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2g4r h PRO 132 CO 0.61 0.00 -0.71 0.78 -0.23 0.00 0.00 178.00 178.45 2g4r h GLY 133 N 0.03 0.66 1.48 1.56 0.00 -1.96 -1.12 103.07 103.71 2g4r h GLY 133 Ca -0.00 -0.89 -0.12 0.00 0.00 0.00 0.00 47.33 46.32 2g4r h GLY 133 CO 0.00 0.80 -0.31 -1.33 0.00 0.00 0.00 176.54 175.70 2g4r h GLY 134 N 0.96 0.64 0.72 4.60 0.00 -1.26 -1.41 103.07 107.33 2g4r h GLY 134 Ca -0.03 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.70 2g4r h GLY 134 CO 0.14 0.52 -0.18 -2.08 0.00 0.00 0.00 176.54 174.94 2g4r h VAL 135 N 0.51 0.59 -0.83 4.60 2.07 -1.05 -1.19 116.25 120.95 2g4r h VAL 135 Ca 0.06 -0.47 0.07 0.00 0.82 0.00 0.00 66.70 67.18 2g4r h VAL 135 Cb 0.78 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 2g4r h VAL 135 CO 0.06 0.08 0.50 0.03 0.02 0.00 0.00 177.57 178.27 2g4r h ARG 136 N -0.79 0.87 -0.76 1.57 3.08 -1.22 -1.18 114.38 115.94 2g4r h ARG 136 Ca -0.05 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 59.95 2g4r h ARG 136 Cb 0.53 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 2g4r h ARG 136 CO 0.09 0.57 0.50 -0.44 -1.07 0.00 0.00 179.97 179.62 2g4r h ASP 137 N 0.89 0.87 -0.43 7.04 3.32 -1.22 -2.61 116.42 124.28 2g4r h ASP 137 Ca 0.38 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.33 2g4r h ASP 137 Cb 0.23 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2g4r h ASP 137 CO -0.20 0.63 0.02 1.23 -1.72 0.00 0.00 179.24 179.20 2g4r h GLY 138 N 1.03 0.88 1.95 2.75 0.00 -0.62 -2.92 103.07 106.14 2g4r h GLY 138 Ca 0.28 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 2g4r h GLY 138 CO -0.06 0.54 -0.06 1.41 0.00 0.00 0.00 176.54 178.37 2g4r h LEU 139 N 0.77 0.05 -0.96 3.11 3.38 -0.92 -2.03 115.31 118.72 2g4r h LEU 139 Ca 0.15 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.15 2g4r h LEU 139 Cb 0.44 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 2g4r h LEU 139 CO 0.02 0.13 0.63 1.23 0.09 0.00 0.00 178.44 180.53 2g4r h GLY 140 N 0.31 1.39 0.95 0.83 0.00 -1.27 -1.43 103.07 103.85 2g4r h GLY 140 Ca 0.01 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 2g4r h GLY 140 CO 0.01 0.43 0.09 -2.08 0.00 0.00 0.00 176.54 174.99 2g4r h VAL 141 N 1.23 1.24 0.00 4.60 2.07 -1.40 -3.10 116.25 120.89 2g4r h VAL 141 Ca 0.37 -0.83 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 2g4r h VAL 141 Cb -0.04 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 2g4r h VAL 141 CO -0.11 0.29 -0.21 -0.07 0.02 0.00 0.00 177.57 177.49 2g4r h LEU 142 N 0.57 0.00 -0.65 2.57 3.38 -1.19 -3.28 115.31 116.71 2g4r h LEU 142 Ca 0.13 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.24 2g4r h LEU 142 Cb 0.34 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.97 2g4r h LEU 142 CO 0.00 0.21 -0.06 0.00 0.09 0.00 0.00 178.44 178.69 2g4r h ALA 143 N 1.79 0.57 -0.47 1.53 0.00 -1.19 -0.37 119.26 121.11 2g4r h ALA 143 Ca -0.00 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2g4r h ALA 143 Cb 0.46 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2g4r h ALA 143 CO 0.03 -0.41 0.00 -0.40 0.00 0.00 0.00 179.25 178.46 2g4r n ASP 144 N -5.36 3.82 0.00 0.00 5.75 -1.24 -4.49 116.55 115.03 2g4r n ASP 144 Ca 0.09 -2.33 0.00 0.00 -0.01 0.00 0.00 54.79 52.54 2g4r n ASP 144 Cb 0.37 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 2g4r n ASP 144 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 2g4r n VAL 145 N 0.65 0.00 0.01 2.12 0.24 -0.88 -4.82 118.33 115.66 2g4r n VAL 145 Ca 0.19 -0.12 -0.12 0.00 -2.04 0.00 0.00 64.34 62.25 2g4r n VAL 145 Cb 0.68 0.59 -0.08 0.00 -1.47 0.00 0.00 33.84 33.56 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 0.02 -0.22 1.34 5.85 -1.31 0.11 115.31 121.09 2g4r h LEU 146 Ca 0.00 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.53 2g4r h LEU 146 Cb 0.00 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 2g4r h LEU 146 CO 0.00 0.25 -0.06 -0.78 -0.34 0.00 0.00 178.44 177.51 2g4r h ASP 147 N -0.22 -0.21 -0.97 1.25 3.58 -1.86 -1.24 116.42 116.75 2g4r h ASP 147 Ca 0.00 0.07 0.01 0.00 0.42 0.00 0.00 57.03 57.53 2g4r h ASP 147 Cb 0.24 0.14 -0.05 0.00 1.72 0.00 0.00 39.33 41.38 2g4r h ASP 147 CO 0.00 -0.08 0.64 -0.74 -2.88 0.00 0.00 179.24 176.19 2g4r h HIS 148 N -0.01 1.22 0.12 0.28 2.76 -1.84 -0.82 115.15 116.85 2g4r h HIS 148 Ca 0.11 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.32 2g4r h HIS 148 Cb 0.17 -0.41 -0.03 0.00 1.55 0.00 0.00 27.41 28.69 2g4r h HIS 148 CO -0.23 0.76 -0.21 0.00 -1.30 0.00 0.00 177.93 176.95 2g4r h ALA 149 N 1.40 -0.36 -0.81 5.26 0.00 -0.14 0.20 119.26 124.82 2g4r h ALA 149 Ca 0.36 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2g4r h ALA 149 Cb -0.15 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2g4r h ALA 149 CO -0.08 -0.74 0.45 -0.07 0.00 0.00 0.00 179.25 178.81 2g4r h LEU 150 N -0.40 1.00 -0.78 0.00 3.38 -1.06 -0.03 115.31 117.41 2g4r h LEU 150 Ca 0.02 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 2g4r h LEU 150 Cb 0.41 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2g4r h LEU 150 CO -0.11 0.79 0.01 1.05 0.09 0.00 0.00 178.44 180.27 2g4r h GLU 151 N 1.13 0.93 -0.42 1.13 4.11 -0.80 -2.20 114.58 118.45 2g4r h GLU 151 Ca 0.29 -0.27 -0.14 0.00 0.07 0.00 0.00 59.36 59.30 2g4r h GLU 151 Cb 0.01 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2g4r h GLU 151 CO -0.05 0.91 -0.30 0.37 0.07 0.00 0.00 179.01 180.01 2g4r h GLN 152 N 0.86 0.93 -0.76 1.06 4.15 0.82 -2.93 115.11 119.24 2g4r h GLN 152 Ca 0.16 -0.44 -0.00 0.00 0.77 0.00 0.00 58.65 59.14 2g4r h GLN 152 Cb 0.49 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.14 2g4r h GLN 152 CO 0.02 1.10 0.48 0.82 -1.93 0.00 0.00 178.83 179.32 2g4r h ILE 153 N 0.78 1.21 -0.01 2.39 2.04 -0.92 -3.51 117.51 119.49 2g4r h ILE 153 Ca 0.08 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.51 2g4r h ILE 153 Cb 0.88 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2g4r h ILE 153 CO 0.08 0.21 0.00 0.00 0.00 0.00 0.00 178.15 178.44