#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udm s SER 2 N 0.00 5.22 0.22 1.61 0.01 -1.26 -4.94 113.70 114.56 1udm s SER 2 Ca 0.00 0.46 0.03 0.00 1.31 0.00 0.00 55.95 57.74 1udm s SER 2 Cb 0.00 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.65 1udm s SER 2 CO 0.00 -2.40 0.02 -1.61 0.41 0.00 0.00 173.24 169.67 1udm s GLU 3 N 7.10 1.30 0.00 12.44 8.01 -1.26 -5.16 118.70 141.13 1udm s GLU 3 Ca 0.71 -1.66 0.00 0.00 0.01 0.00 0.00 54.97 54.03 1udm s GLU 3 Cb -0.13 -0.45 0.00 0.00 -4.31 0.00 0.00 34.13 29.24 1udm s GLU 3 CO 0.22 -0.15 0.00 0.41 0.01 0.00 0.00 175.26 175.75 1udm n GLY 4 N -0.39 0.91 3.51 -1.39 0.00 -1.26 -5.19 105.19 101.39 1udm n GLY 4 Ca -0.04 0.35 -0.10 0.00 0.00 0.00 0.00 46.02 46.23 1udm n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm s ALA 5 N -0.07 -1.07 -0.14 4.61 0.00 -1.26 -5.18 121.76 118.66 1udm s ALA 5 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 51.96 51.77 1udm s ALA 5 Cb 0.00 0.85 0.04 0.00 0.00 0.00 0.00 23.12 24.01 1udm s ALA 5 CO 0.00 -0.80 0.35 0.00 0.00 0.00 0.00 175.76 175.30 1udm s ALA 6 N -3.85 -0.86 0.12 0.00 0.00 -1.26 -4.56 121.76 111.35 1udm s ALA 6 Ca 0.07 1.11 0.01 0.00 0.00 0.00 0.00 51.96 53.15 1udm s ALA 6 Cb -0.01 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 1udm s ALA 6 CO -0.05 -0.19 -0.01 0.95 0.00 0.00 0.00 175.76 176.46 1udm s THR 7 N 0.64 0.47 0.23 0.00 -4.23 -1.26 -5.05 115.64 106.43 1udm s THR 7 Ca -0.04 -1.92 -0.07 0.00 -1.18 0.00 0.00 61.69 58.48 1udm s THR 7 Cb -0.05 -1.85 0.19 0.00 1.34 0.00 0.00 72.50 72.12 1udm s THR 7 CO -0.04 -0.70 1.86 0.24 -0.54 0.00 0.00 174.62 175.44 1udm h MET 8 N 2.90 0.92 -6.76 3.99 2.86 -2.02 -3.44 114.93 113.39 1udm h MET 8 Ca -0.35 -0.06 -0.45 0.00 -2.06 0.00 0.00 59.70 56.79 1udm h MET 8 Cb 1.18 -0.21 0.23 0.00 0.06 0.00 0.00 31.60 32.86 1udm h MET 8 CO 0.63 0.61 -0.86 0.00 1.06 0.00 0.00 176.91 178.36 1udm n ALA 9 N -2.34 -3.95 -3.34 6.32 0.00 -1.26 -5.05 120.51 110.89 1udm n ALA 9 Ca 0.10 -1.30 -0.14 0.00 0.00 0.00 0.00 53.44 52.09 1udm n ALA 9 Cb 0.13 -1.61 -0.08 0.00 0.00 0.00 0.00 19.45 17.89 1udm n ALA 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1udm s THR 10 N -2.26 0.03 0.32 0.00 2.01 -1.26 -4.86 115.64 109.63 1udm s THR 10 Ca 0.59 -0.24 0.07 0.00 0.31 0.00 0.00 61.69 62.42 1udm s THR 10 Cb -0.15 -0.71 -0.03 0.00 0.01 0.00 0.00 72.50 71.63 1udm s THR 10 CO 0.66 -0.13 0.25 0.29 -0.69 0.00 0.00 174.62 175.00 1udm n LYS 11 N 1.61 0.41 -3.97 4.92 5.02 -0.99 -4.99 118.16 120.17 1udm n LYS 11 Ca -0.19 -3.18 -0.09 0.00 -2.02 0.00 0.00 58.31 52.83 1udm n LYS 11 Cb 0.56 2.49 -0.10 0.00 -0.02 0.00 0.00 35.03 37.96 1udm n LYS 11 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1udm s ILE 12 N -3.25 0.13 -0.40 -0.18 2.07 -1.26 -0.23 121.20 118.07 1udm s ILE 12 Ca 0.35 -1.06 -0.02 0.00 -1.41 0.00 0.00 60.65 58.52 1udm s ILE 12 Cb 0.02 -0.63 0.19 0.00 0.13 0.00 0.00 42.46 42.17 1udm s ILE 12 CO 0.25 -0.58 2.25 -0.67 -1.91 0.00 0.00 174.94 174.28 1udm n ASP 13 N 1.15 6.62 -0.04 4.50 -0.08 0.81 -4.77 116.55 124.74 1udm n ASP 13 Ca -0.21 -3.20 0.01 0.00 -1.51 0.00 0.00 54.79 49.88 1udm n ASP 13 Cb 0.57 -1.10 0.01 0.00 2.34 0.00 0.00 41.12 42.94 1udm n ASP 13 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1udm n LYS 14 N 0.36 -0.01 0.15 -0.67 5.02 -1.26 0.29 118.16 122.05 1udm n LYS 14 Ca 0.40 0.15 -0.15 0.00 -2.02 0.00 0.00 58.31 56.69 1udm n LYS 14 Cb 0.57 -0.23 -0.07 0.00 -0.02 0.00 0.00 35.03 35.28 1udm n LYS 14 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1udm h GLU 15 N 0.00 -0.65 -0.33 1.97 4.11 -1.99 0.23 114.58 117.93 1udm h GLU 15 Ca 0.05 0.04 -0.15 0.00 0.07 0.00 0.00 59.36 59.37 1udm h GLU 15 Cb 0.07 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1udm h GLU 15 CO -0.10 -0.43 -0.39 0.00 0.07 0.00 0.00 179.01 178.16 1udm h ALA 16 N -0.18 0.69 0.68 1.06 0.00 0.39 -3.14 119.26 118.77 1udm h ALA 16 Ca 0.01 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1udm h ALA 16 Cb 0.67 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1udm h ALA 16 CO -0.17 0.67 -0.46 0.00 0.00 0.00 0.00 179.25 179.28 1udm h ARG 18 N -1.08 0.42 -0.24 0.00 1.12 -0.61 0.26 114.38 114.25 1udm h ARG 18 Ca -0.09 -0.03 -0.00 0.00 -1.11 0.00 0.00 59.98 58.76 1udm h ARG 18 Cb 0.88 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.74 1udm h ARG 18 CO 0.06 0.28 0.14 0.00 -3.11 0.00 0.00 179.97 177.34 1udm h ALA 19 N 1.77 0.31 -0.34 2.80 0.00 -1.40 -0.38 119.26 122.00 1udm h ALA 19 Ca 0.64 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.44 1udm h ALA 19 Cb 1.31 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1udm h ALA 19 CO -0.54 -0.19 -0.05 0.00 0.00 0.00 0.00 179.25 178.47 1udm h ALA 20 N 1.04 0.47 0.00 0.00 0.00 -0.05 -0.81 119.26 119.91 1udm h ALA 20 Ca 0.09 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1udm h ALA 20 Cb 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1udm h ALA 20 CO -0.02 0.28 0.00 -0.92 0.00 0.00 0.00 179.25 178.60 1udm h TYR 21 N 0.44 0.00 0.10 0.00 3.20 -0.48 -2.72 116.97 117.50 1udm h TYR 21 Ca 0.09 0.00 -0.36 0.00 3.14 0.00 0.00 58.73 61.60 1udm h TYR 21 Cb 0.54 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 1udm h TYR 21 CO 0.05 0.00 -2.01 0.09 -1.64 0.00 0.00 178.16 174.65 1udm n ASN 22 N -2.59 1.93 0.31 -2.11 3.02 -0.17 -2.56 115.26 113.09 1udm n ASN 22 Ca 0.00 0.20 0.19 0.00 -0.03 0.00 0.00 54.58 54.94 1udm n ASN 22 Cb 0.19 -0.70 1.00 0.00 -0.61 0.00 0.00 39.78 39.66 1udm n ASN 22 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1udm h LEU 23 N 0.06 0.00 0.00 3.41 4.07 -0.83 0.55 115.31 122.57 1udm h LEU 23 Ca -0.42 0.00 -0.30 0.00 0.08 0.00 0.00 57.88 57.24 1udm h LEU 23 Cb 2.03 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 43.71 1udm h LEU 23 CO 0.07 0.00 -2.14 0.52 -1.08 0.00 0.00 178.44 175.81 1udm n VAL 24 N -2.89 1.14 0.17 1.22 0.31 -1.20 -3.79 118.33 113.29 1udm n VAL 24 Ca -0.02 -0.51 0.03 0.00 -0.01 0.00 0.00 64.34 63.83 1udm n VAL 24 Cb 0.17 -1.04 0.24 0.00 -0.91 0.00 0.00 33.84 32.30 1udm n VAL 24 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1udm h ARG 25 N 0.00 0.00 -7.64 5.55 2.43 -1.11 -3.45 114.38 110.16 1udm h ARG 25 Ca -0.45 0.00 -0.42 0.00 -0.81 0.00 0.00 59.98 58.30 1udm h ARG 25 Cb 1.78 0.00 0.19 0.00 -0.42 0.00 0.00 29.97 31.52 1udm h ARG 25 CO -0.04 0.47 0.27 0.34 -1.51 0.00 0.00 179.97 179.50 1udm s ASP 26 N -6.52 1.64 0.00 -3.80 2.15 0.19 -5.01 116.67 105.32 1udm s ASP 26 Ca 0.00 0.32 0.06 0.00 0.43 0.00 0.00 52.55 53.36 1udm s ASP 26 Cb 0.11 -0.35 -0.01 0.00 -0.30 0.00 0.00 42.92 42.37 1udm s ASP 26 CO 0.71 -3.65 0.46 0.47 -0.17 0.00 0.00 175.17 172.99 1udm n ASP 27 N -4.39 0.87 0.03 -0.34 8.00 -1.26 -4.57 116.55 114.89 1udm n ASP 27 Ca 0.16 -0.94 0.06 0.00 0.71 0.00 0.00 54.79 54.79 1udm n ASP 27 Cb 0.60 0.51 -0.09 0.00 -0.02 0.00 0.00 41.12 42.11 1udm n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1udm n GLY 28 N 0.74 -1.20 3.38 0.44 0.00 -1.26 -4.77 105.19 102.51 1udm n GLY 28 Ca 0.02 -0.31 -0.45 0.00 0.00 0.00 0.00 46.02 45.29 1udm n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1udm s SER 29 N -5.21 6.19 0.66 1.61 0.01 -1.26 -4.90 113.70 110.79 1udm s SER 29 Ca -0.04 -1.37 0.10 0.00 1.31 0.00 0.00 55.95 55.95 1udm s SER 29 Cb 0.10 -2.25 0.53 0.00 0.21 0.00 0.00 66.02 64.61 1udm s SER 29 CO 0.84 -0.88 1.29 0.00 0.41 0.00 0.00 173.24 174.89 1udm h ALA 30 N 8.96 1.87 -1.92 1.44 0.00 -1.86 -3.42 119.26 124.33 1udm h ALA 30 Ca -0.29 -0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.00 1udm h ALA 30 Cb 1.10 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.98 1udm h ALA 30 CO 1.00 -0.85 0.28 0.28 0.00 0.00 0.00 179.25 179.96 1udm n VAL 31 N -2.67 1.25 0.00 0.00 0.31 -1.25 -4.43 118.33 111.55 1udm n VAL 31 Ca 0.01 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1udm n VAL 31 Cb 0.85 -1.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 1udm n VAL 31 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1udm n ILE 32 N 1.16 0.00 -3.88 2.52 -5.35 -1.03 -4.11 119.36 108.67 1udm n ILE 32 Ca 0.13 -0.20 -0.11 0.00 -0.27 0.00 0.00 62.75 62.29 1udm n ILE 32 Cb 0.28 0.71 -0.12 0.00 -1.74 0.00 0.00 39.64 38.77 1udm n ILE 32 CO 0.00 0.00 0.00 -1.66 -1.76 0.00 0.00 176.55 173.13 1udm s TRP 33 N -1.20 0.03 -0.10 4.28 1.48 -0.92 -0.40 118.94 122.11 1udm s TRP 33 Ca 0.00 -0.05 -0.04 0.00 -1.06 0.00 0.00 56.10 54.95 1udm s TRP 33 Cb 0.00 -0.04 0.05 0.00 -1.16 0.00 0.00 33.47 32.32 1udm s TRP 33 CO 0.00 -0.14 0.20 0.14 -4.06 0.00 0.00 176.95 173.10 1udm s VAL 34 N -0.67 -0.24 0.20 -0.66 -7.23 -0.45 -2.83 120.40 108.54 1udm s VAL 34 Ca -0.07 0.27 -0.03 0.00 -1.81 0.00 0.00 61.98 60.33 1udm s VAL 34 Cb -0.05 -0.35 -0.05 0.00 0.56 0.00 0.00 36.38 36.50 1udm s VAL 34 CO 0.00 0.11 0.43 0.42 -0.31 0.00 0.00 175.10 175.75 1udm s THR 35 N 1.97 5.14 -0.35 5.32 -4.23 -0.99 0.03 115.64 122.54 1udm s THR 35 Ca -0.02 -0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.41 1udm s THR 35 Cb -0.12 -3.69 0.11 0.00 1.34 0.00 0.00 72.50 70.14 1udm s THR 35 CO -0.07 -0.13 0.13 -0.36 -0.54 0.00 0.00 174.62 173.65 1udm s PHE 36 N -1.84 1.92 0.55 3.99 0.08 0.78 0.62 117.98 124.07 1udm s PHE 36 Ca 0.41 -2.01 0.06 0.00 0.12 0.00 0.00 56.93 55.51 1udm s PHE 36 Cb -0.11 -1.84 0.06 0.00 -0.57 0.00 0.00 43.02 40.56 1udm s PHE 36 CO 0.27 -0.86 0.75 -0.98 -0.10 0.00 0.00 175.22 174.31 1udm s ARG 37 N 1.24 2.41 0.11 0.44 1.70 -0.27 -2.54 118.95 122.04 1udm s ARG 37 Ca 0.12 -1.27 -0.08 0.00 -0.47 0.00 0.00 55.73 54.03 1udm s ARG 37 Cb -0.19 -2.60 -0.06 0.00 -0.57 0.00 0.00 34.95 31.53 1udm s ARG 37 CO -0.17 -0.75 0.39 0.71 -1.08 0.00 0.00 175.30 174.41 1udm s TYR 38 N -2.66 3.52 -0.07 5.89 2.02 -1.26 0.14 117.35 124.94 1udm s TYR 38 Ca 0.60 0.69 0.09 0.00 -0.37 0.00 0.00 57.07 58.08 1udm s TYR 38 Cb -0.08 -2.09 0.14 0.00 -0.40 0.00 0.00 41.96 39.53 1udm s TYR 38 CO 0.38 0.47 1.07 -3.47 -1.57 0.00 0.00 175.55 172.43 1udm n ASP 39 N 0.50 2.17 0.00 2.29 2.03 -0.21 -4.89 116.55 118.43 1udm n ASP 39 Ca -0.05 -2.53 0.00 0.00 0.52 0.00 0.00 54.79 52.73 1udm n ASP 39 Cb 0.52 -0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 1udm n ASP 39 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1udm n GLY 40 N -0.95 0.77 2.28 0.27 0.00 -1.26 -4.82 105.19 101.48 1udm n GLY 40 Ca 0.08 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.38 1udm n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm n ALA 41 N 0.00 -0.21 -3.63 4.61 0.00 -1.26 -4.89 120.51 115.13 1udm n ALA 41 Ca 0.00 0.15 -0.09 0.00 0.00 0.00 0.00 53.44 53.49 1udm n ALA 41 Cb 0.00 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.06 1udm n ALA 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1udm s THR 42 N -2.44 -0.00 0.19 0.00 2.01 -1.26 -2.36 115.64 111.78 1udm s THR 42 Ca 0.00 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.71 1udm s THR 42 Cb 0.00 -0.95 -0.08 0.00 0.01 0.00 0.00 72.50 71.49 1udm s THR 42 CO 0.00 0.00 0.99 -0.63 -0.69 0.00 0.00 174.62 174.29 1udm s ILE 43 N 1.21 4.13 -0.12 1.82 1.01 0.68 -1.05 121.20 128.87 1udm s ILE 43 Ca -0.07 1.94 -0.13 0.00 0.00 0.00 0.00 60.65 62.40 1udm s ILE 43 Cb -0.05 -4.24 0.03 0.00 0.01 0.00 0.00 42.46 38.21 1udm s ILE 43 CO -0.13 0.38 0.35 0.68 0.00 0.00 0.00 174.94 176.23 1udm s VAL 44 N -0.60 0.01 -0.22 2.92 -7.23 0.12 -0.13 120.40 115.26 1udm s VAL 44 Ca 0.45 -0.04 -0.36 0.00 -1.81 0.00 0.00 61.98 60.22 1udm s VAL 44 Cb -0.26 -0.51 -0.13 0.00 0.56 0.00 0.00 36.38 36.04 1udm s VAL 44 CO 0.33 -0.02 1.94 -2.65 -0.31 0.00 0.00 175.10 174.38 1udm n PRO 45 N 2.74 1.56 0.00 4.82 -0.02 -1.26 -1.11 135.00 141.73 1udm n PRO 45 Ca -0.14 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1udm n PRO 45 Cb 0.57 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1udm n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1udm n GLY 46 N 5.00 1.17 3.72 -1.23 0.00 0.20 -4.79 105.19 109.26 1udm n GLY 46 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 1udm n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1udm s ASP 47 N -1.00 3.30 -0.26 1.61 1.01 -1.26 -4.85 116.67 115.23 1udm s ASP 47 Ca 0.00 1.33 -0.26 0.00 0.71 0.00 0.00 52.55 54.34 1udm s ASP 47 Cb 0.00 -2.01 0.09 0.00 1.01 0.00 0.00 42.92 42.01 1udm s ASP 47 CO 0.00 -2.73 0.83 -1.58 0.21 0.00 0.00 175.17 171.91 1udm s GLN 48 N -4.99 0.73 0.00 8.23 0.74 -1.26 -2.33 119.66 120.77 1udm s GLN 48 Ca 0.64 0.79 0.00 0.00 0.05 0.00 0.00 55.36 56.84 1udm s GLN 48 Cb -0.18 0.35 0.00 0.00 1.10 0.00 0.00 33.01 34.29 1udm s GLN 48 CO 0.57 -0.10 0.00 0.41 -0.55 0.00 0.00 175.29 175.61 1udm n GLY 49 N 2.36 0.76 0.03 2.59 0.00 -1.13 -5.00 105.19 104.81 1udm n GLY 49 Ca -0.14 -1.00 0.11 0.00 0.00 0.00 0.00 46.02 44.99 1udm n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm n ALA 50 N -0.50 3.30 -2.63 4.61 0.00 -1.26 -2.18 120.51 121.85 1udm n ALA 50 Ca 0.00 -0.44 -0.42 0.00 0.00 0.00 0.00 53.44 52.58 1udm n ALA 50 Cb 0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 1udm n ALA 50 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1udm s ASP 51 N -4.15 6.35 0.54 0.00 2.15 -1.26 -4.53 116.67 115.77 1udm s ASP 51 Ca 0.01 -0.25 0.26 0.00 0.43 0.00 0.00 52.55 52.99 1udm s ASP 51 Cb 0.14 -2.49 1.43 0.00 -0.30 0.00 0.00 42.92 41.70 1udm s ASP 51 CO 0.84 -1.40 2.01 0.22 -0.17 0.00 0.00 175.17 176.67 1udm h TYR 52 N 9.49 0.00 0.00 -5.34 5.03 -1.98 0.35 116.97 124.52 1udm h TYR 52 Ca -0.26 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.03 1udm h TYR 52 Cb 1.06 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.34 1udm h TYR 52 CO 0.98 0.00 -0.07 1.96 -1.32 0.00 0.00 178.16 179.71 1udm h GLN 53 N 0.00 0.00 0.00 1.82 7.50 -2.00 -2.42 115.11 120.01 1udm h GLN 53 Ca 0.22 0.00 -0.16 0.00 0.50 0.00 0.00 58.65 59.21 1udm h GLN 53 Cb 0.92 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.43 1udm h GLN 53 CO -0.00 0.07 -0.76 0.45 -1.50 0.00 0.00 178.83 177.09 1udm h HIS 54 N 0.00 0.00 0.07 2.96 3.86 -0.69 -3.12 115.15 118.23 1udm h HIS 54 Ca -0.00 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.97 1udm h HIS 54 Cb 0.49 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.98 1udm h HIS 54 CO 0.00 0.75 -0.98 0.35 0.86 0.00 0.00 177.93 178.92 1udm h PHE 55 N 0.00 0.84 0.00 2.45 3.57 -1.39 -3.20 116.94 119.22 1udm h PHE 55 Ca -0.01 -0.51 0.00 0.00 3.53 0.00 0.00 57.97 60.98 1udm h PHE 55 Cb 1.58 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.25 1udm h PHE 55 CO 0.00 1.35 0.00 0.82 -2.23 0.00 0.00 178.31 178.25 1udm h ILE 56 N 0.09 0.00 -0.07 1.41 2.04 -1.58 -1.84 117.51 117.56 1udm h ILE 56 Ca -0.14 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1udm h ILE 56 Cb 1.68 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 1udm h ILE 56 CO 0.19 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.34 1udm n GLN 57 N -2.56 1.41 -0.06 2.37 1.13 -1.18 -3.64 117.38 114.86 1udm n GLN 57 Ca 0.01 -0.61 -0.06 0.00 -1.94 0.00 0.00 57.00 54.40 1udm n GLN 57 Cb 0.23 -1.39 -0.09 0.00 0.11 0.00 0.00 30.24 29.10 1udm n GLN 57 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1udm n GLN 58 N -0.20 2.07 -2.57 -1.09 1.13 -0.70 -4.94 117.38 111.08 1udm n GLN 58 Ca 0.17 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.80 1udm n GLN 58 Cb 0.23 -1.28 -0.02 0.00 0.11 0.00 0.00 30.24 29.27 1udm n GLN 58 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1udm s THR 60 N 3.86 0.43 -2.00 0.00 -4.23 -1.26 -4.94 115.64 107.50 1udm s THR 60 Ca 0.49 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.07 1udm s THR 60 Cb -0.14 -2.39 0.22 0.00 1.34 0.00 0.00 72.50 71.52 1udm s THR 60 CO 0.18 0.00 1.24 0.47 -0.54 0.00 0.00 174.62 175.96 1udm n ASP 61 N -1.33 0.00 -0.16 3.99 9.92 -1.26 -2.80 116.55 124.91 1udm n ASP 61 Ca -0.02 -1.63 0.08 0.00 -0.53 0.00 0.00 54.79 52.68 1udm n ASP 61 Cb 0.64 0.00 0.11 0.00 -0.64 0.00 0.00 41.12 41.23 1udm n ASP 61 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1udm n ASP 62 N -0.63 1.85 -3.55 -2.24 -0.08 -1.26 -2.96 116.55 107.68 1udm n ASP 62 Ca 0.06 -2.86 -0.15 0.00 -1.51 0.00 0.00 54.79 50.33 1udm n ASP 62 Cb 0.03 -0.38 -0.05 0.00 2.34 0.00 0.00 41.12 43.05 1udm n ASP 62 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1udm s VAL 63 N -2.26 0.02 -0.12 5.18 0.11 -1.12 -5.01 120.40 117.19 1udm s VAL 63 Ca 0.25 -0.16 -0.05 0.00 -2.93 0.00 0.00 61.98 59.09 1udm s VAL 63 Cb 0.22 -0.97 0.05 0.00 -1.53 0.00 0.00 36.38 34.16 1udm s VAL 63 CO 0.02 -0.09 0.26 0.00 -3.33 0.00 0.00 175.10 171.96 1udm s ARG 64 N -2.19 0.19 0.20 1.54 3.03 -1.26 -0.86 118.95 119.61 1udm s ARG 64 Ca -0.07 0.63 -0.23 0.00 2.03 0.00 0.00 55.73 58.09 1udm s ARG 64 Cb -0.01 -0.08 0.05 0.00 -1.03 0.00 0.00 34.95 33.88 1udm s ARG 64 CO 0.01 -0.21 0.82 -0.48 -1.13 0.00 0.00 175.30 174.31 1udm s LEU 65 N 1.72 -0.25 0.51 -1.89 -0.00 -0.12 -4.71 118.68 113.93 1udm s LEU 65 Ca -0.05 -0.45 -0.05 0.00 -0.00 0.00 0.00 54.13 53.58 1udm s LEU 65 Cb -0.11 2.44 -0.02 0.00 -0.00 0.00 0.00 46.19 48.51 1udm s LEU 65 CO -0.09 -1.10 0.80 -0.36 -0.00 0.00 0.00 176.35 175.61 1udm s PHE 66 N -3.60 3.44 -0.22 3.48 0.40 -1.05 0.20 117.98 120.62 1udm s PHE 66 Ca 0.11 0.70 -0.03 0.00 -0.60 0.00 0.00 56.93 57.10 1udm s PHE 66 Cb -0.03 -2.42 0.11 0.00 0.51 0.00 0.00 43.02 41.18 1udm s PHE 66 CO 0.03 -0.44 0.29 0.00 0.70 0.00 0.00 175.22 175.80 1udm s ALA 67 N -2.79 -0.62 -0.47 5.36 0.00 0.10 -0.16 121.76 123.18 1udm s ALA 67 Ca 0.49 0.50 -0.18 0.00 0.00 0.00 0.00 51.96 52.77 1udm s ALA 67 Cb -0.10 -1.49 0.05 0.00 0.00 0.00 0.00 23.12 21.57 1udm s ALA 67 CO 0.44 -1.26 0.55 0.12 0.00 0.00 0.00 175.76 175.62 1udm s PHE 68 N 2.42 3.10 0.03 0.00 5.36 0.10 0.34 117.98 129.33 1udm s PHE 68 Ca 0.09 -0.48 0.05 0.00 -0.96 0.00 0.00 56.93 55.63 1udm s PHE 68 Cb -0.16 -3.31 -0.03 0.00 -0.34 0.00 0.00 43.02 39.18 1udm s PHE 68 CO -0.15 -0.90 -0.11 0.08 -1.46 0.00 0.00 175.22 172.68 1udm s VAL 69 N 2.42 3.28 -0.08 3.12 1.01 -1.21 -1.34 120.40 127.60 1udm s VAL 69 Ca 0.14 -0.97 -0.16 0.00 0.00 0.00 0.00 61.98 60.99 1udm s VAL 69 Cb -0.19 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 1udm s VAL 69 CO 0.13 0.35 0.40 -0.60 0.00 0.00 0.00 175.10 175.38 1udm s ARG 70 N -1.48 4.15 -0.31 2.72 3.52 0.47 -2.92 118.95 125.09 1udm s ARG 70 Ca 0.16 0.34 0.01 0.00 -0.13 0.00 0.00 55.73 56.11 1udm s ARG 70 Cb -0.11 -3.35 0.10 0.00 -1.56 0.00 0.00 34.95 30.03 1udm s ARG 70 CO 0.07 0.39 0.08 -0.06 -0.81 0.00 0.00 175.30 174.96 1udm s PHE 71 N -0.07 2.28 -0.52 5.12 0.40 0.64 -4.96 117.98 120.87 1udm s PHE 71 Ca 0.23 -2.07 -0.16 0.00 -0.60 0.00 0.00 56.93 54.33 1udm s PHE 71 Cb -0.15 -2.03 0.11 0.00 0.51 0.00 0.00 43.02 41.46 1udm s PHE 71 CO 0.10 -0.89 0.50 0.99 0.70 0.00 0.00 175.22 176.62 1udm s THR 72 N 1.42 5.16 -0.12 0.64 2.01 -1.26 -0.79 115.64 122.70 1udm s THR 72 Ca 0.09 -1.27 -0.25 0.00 0.31 0.00 0.00 61.69 60.58 1udm s THR 72 Cb -0.18 -4.29 -0.22 0.00 0.01 0.00 0.00 72.50 67.82 1udm s THR 72 CO -0.19 -0.81 0.72 0.71 -0.69 0.00 0.00 174.62 174.35 1udm h THR 73 N 5.85 1.48 -3.99 -0.82 1.35 -1.98 -3.49 112.91 111.31 1udm h THR 73 Ca -0.29 -2.01 -0.07 0.00 -0.55 0.00 0.00 66.41 63.49 1udm h THR 73 Cb 1.10 2.75 0.05 0.00 -1.73 0.00 0.00 68.15 70.33 1udm h THR 73 CO 1.00 0.48 -0.23 0.61 -0.25 0.00 0.00 175.52 177.13 1udm n GLY 74 N 1.45 -0.19 0.11 5.82 0.00 -1.26 -5.01 105.19 106.11 1udm n GLY 74 Ca -0.08 0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 1udm n GLY 74 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1udm h ASP 75 N -0.23 0.08 -2.72 1.61 3.04 -1.92 -3.48 116.42 112.80 1udm h ASP 75 Ca -0.17 -0.62 -0.46 0.00 -3.24 0.00 0.00 57.03 52.55 1udm h ASP 75 Cb 1.08 -0.03 0.03 0.00 -1.04 0.00 0.00 39.33 39.38 1udm h ASP 75 CO 0.16 1.51 -0.08 0.00 -2.04 0.00 0.00 179.24 178.79 1udm s ALA 76 N -2.38 3.77 0.17 4.15 0.00 -1.26 -5.00 121.76 121.21 1udm s ALA 76 Ca -0.27 -1.09 -0.27 0.00 0.00 0.00 0.00 51.96 50.33 1udm s ALA 76 Cb 0.05 -2.13 -0.00 0.00 0.00 0.00 0.00 23.12 21.04 1udm s ALA 76 CO 0.63 -0.43 1.49 -1.33 0.00 0.00 0.00 175.76 176.12 1udm n MET 77 N -2.12 -0.38 -2.30 0.00 2.81 -1.26 -3.83 117.12 110.03 1udm n MET 77 Ca 0.02 1.47 -0.42 0.00 -1.81 0.00 0.00 57.70 56.96 1udm n MET 77 Cb 0.58 -2.16 -0.02 0.00 -0.71 0.00 0.00 33.22 30.90 1udm n MET 77 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1udm s SER 78 N -5.45 6.12 -0.25 7.83 0.15 -1.26 -4.94 113.70 115.90 1udm s SER 78 Ca -0.12 0.64 -0.28 0.00 0.70 0.00 0.00 55.95 56.89 1udm s SER 78 Cb 0.13 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.86 1udm s SER 78 CO 0.62 -1.64 2.12 -0.75 1.20 0.00 0.00 173.24 174.79 1udm s LYS 79 N 5.40 3.15 -0.24 5.44 2.20 -1.25 -4.84 119.74 129.60 1udm s LYS 79 Ca 0.60 1.86 -0.12 0.00 -0.36 0.00 0.00 55.97 57.95 1udm s LYS 79 Cb -0.13 -4.33 -0.05 0.00 -1.51 0.00 0.00 37.83 31.80 1udm s LYS 79 CO 0.29 -2.08 0.21 0.50 -0.36 0.00 0.00 175.35 173.92 1udm s ARG 80 N 6.23 4.06 -0.21 4.03 3.52 -1.26 -4.99 118.95 130.34 1udm s ARG 80 Ca 0.95 -0.19 -0.21 0.00 -0.13 0.00 0.00 55.73 56.16 1udm s ARG 80 Cb -0.30 -3.56 -0.02 0.00 -1.56 0.00 0.00 34.95 29.50 1udm s ARG 80 CO 0.34 -0.01 0.65 -1.54 -0.81 0.00 0.00 175.30 173.93 1udm s SER 81 N 1.20 6.68 0.50 -2.12 1.04 -1.26 -4.11 113.70 115.63 1udm s SER 81 Ca 0.10 0.83 0.09 0.00 0.48 0.00 0.00 55.95 57.45 1udm s SER 81 Cb -0.14 -2.36 0.05 0.00 0.10 0.00 0.00 66.02 63.67 1udm s SER 81 CO 0.06 -0.32 0.69 -0.54 0.98 0.00 0.00 173.24 174.12 1udm s LYS 82 N 2.11 2.55 0.11 4.02 -0.14 0.03 -4.92 119.74 123.50 1udm s LYS 82 Ca 0.29 -1.44 -0.25 0.00 -1.36 0.00 0.00 55.97 53.21 1udm s LYS 82 Cb -0.16 -2.70 0.08 0.00 -1.68 0.00 0.00 37.83 33.38 1udm s LYS 82 CO 0.10 -0.59 0.73 -0.06 -0.76 0.00 0.00 175.35 174.77 1udm s PHE 83 N -2.52 -0.43 -0.25 3.18 0.40 -1.26 -0.26 117.98 116.84 1udm s PHE 83 Ca 0.59 0.23 -0.14 0.00 -0.60 0.00 0.00 56.93 57.01 1udm s PHE 83 Cb -0.08 0.56 0.08 0.00 0.51 0.00 0.00 43.02 44.09 1udm s PHE 83 CO 0.36 -0.76 0.60 0.00 0.70 0.00 0.00 175.22 176.12 1udm s ALA 84 N -3.50 -1.63 -0.87 5.36 0.00 -1.15 0.13 121.76 120.10 1udm s ALA 84 Ca 0.04 2.14 -0.24 0.00 0.00 0.00 0.00 51.96 53.90 1udm s ALA 84 Cb -0.01 -1.30 0.05 0.00 0.00 0.00 0.00 23.12 21.86 1udm s ALA 84 CO -0.10 -0.38 1.31 -1.17 0.00 0.00 0.00 175.76 175.43 1udm s LEU 85 N 1.64 3.57 -0.68 0.00 2.96 -0.69 -3.30 118.68 122.18 1udm s LEU 85 Ca -0.10 -1.07 -0.27 0.00 -0.22 0.00 0.00 54.13 52.48 1udm s LEU 85 Cb -0.06 -2.54 0.01 0.00 0.50 0.00 0.00 46.19 44.09 1udm s LEU 85 CO -0.18 -1.60 1.57 -0.63 -1.32 0.00 0.00 176.35 174.19 1udm s ILE 86 N 5.01 3.54 -0.71 6.68 1.01 0.15 0.96 121.20 137.85 1udm s ILE 86 Ca 0.39 0.30 -0.26 0.00 0.00 0.00 0.00 60.65 61.08 1udm s ILE 86 Cb -0.05 -4.44 0.04 0.00 0.01 0.00 0.00 42.46 38.02 1udm s ILE 86 CO 0.02 -1.40 1.21 -0.89 0.00 0.00 0.00 174.94 173.88 1udm s THR 87 N 7.38 3.87 0.17 2.92 2.01 0.52 -0.72 115.64 131.79 1udm s THR 87 Ca 0.51 0.30 -0.22 0.00 0.31 0.00 0.00 61.69 62.59 1udm s THR 87 Cb -0.10 -4.85 -0.08 0.00 0.01 0.00 0.00 72.50 67.48 1udm s THR 87 CO 0.18 -1.73 0.72 0.86 -0.69 0.00 0.00 174.62 173.96 1udm s TRP 88 N 5.33 3.80 -0.29 4.92 -0.11 0.13 -0.47 118.94 132.25 1udm s TRP 88 Ca 0.33 1.48 -0.00 0.00 1.22 0.00 0.00 56.10 59.13 1udm s TRP 88 Cb -0.10 -2.66 0.14 0.00 -1.50 0.00 0.00 33.47 29.35 1udm s TRP 88 CO 0.15 0.47 0.31 0.42 -4.62 0.00 0.00 176.95 173.68 1udm s ILE 89 N -1.28 -0.44 0.10 5.86 1.01 -0.53 -0.95 121.20 124.97 1udm s ILE 89 Ca 0.37 -0.46 -0.25 0.00 0.00 0.00 0.00 60.65 60.31 1udm s ILE 89 Cb -0.20 -0.99 -0.14 0.00 0.01 0.00 0.00 42.46 41.14 1udm s ILE 89 CO 0.23 -0.44 0.56 0.61 0.00 0.00 0.00 174.94 175.90 1udm n GLY 90 N 5.32 -0.92 0.00 6.18 0.00 -0.04 -4.44 105.19 111.29 1udm n GLY 90 Ca -0.02 0.38 0.01 0.00 0.00 0.00 0.00 46.02 46.40 1udm n GLY 90 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1udm n GLU 91 N 0.91 0.90 -0.02 1.61 2.13 -1.25 -2.93 120.64 121.99 1udm n GLU 91 Ca 0.14 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.95 1udm n GLU 91 Cb 0.14 -1.05 -0.03 0.00 0.27 0.00 0.00 31.44 30.77 1udm n GLU 91 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1udm n ASP 92 N -0.55 4.02 -4.55 4.31 2.03 -1.16 -5.04 116.55 115.61 1udm n ASP 92 Ca 0.02 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.93 1udm n ASP 92 Cb 0.01 0.72 0.02 0.00 -0.72 0.00 0.00 41.12 41.16 1udm n ASP 92 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1udm n VAL 93 N -2.04 2.47 -1.84 5.18 0.24 -1.15 -4.88 118.33 116.30 1udm n VAL 93 Ca -0.05 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.34 61.34 1udm n VAL 93 Cb 0.52 -0.94 0.00 0.00 -1.47 0.00 0.00 33.84 31.95 1udm n VAL 93 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1udm s SER 94 N -0.94 6.23 0.22 -1.34 0.15 -1.26 -4.84 113.70 111.92 1udm s SER 94 Ca 0.66 2.96 -0.11 0.00 0.70 0.00 0.00 55.95 60.16 1udm s SER 94 Cb -0.53 -2.66 0.30 0.00 -1.71 0.00 0.00 66.02 61.42 1udm s SER 94 CO 0.55 -0.94 1.34 0.61 1.20 0.00 0.00 173.24 176.00 1udm n GLY 95 N 0.54 -1.61 0.12 9.45 0.00 -1.26 -1.21 105.19 111.21 1udm n GLY 95 Ca 0.02 0.94 -0.03 0.00 0.00 0.00 0.00 46.02 46.95 1udm n GLY 95 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1udm n LEU 96 N -5.33 -0.29 -0.35 0.99 0.00 -1.26 -0.08 117.00 110.68 1udm n LEU 96 Ca 0.11 1.20 0.11 0.00 0.00 0.00 0.00 56.01 57.43 1udm n LEU 96 Cb 0.39 -0.42 0.22 0.00 0.00 0.00 0.00 43.42 43.61 1udm n LEU 96 CO -0.11 -0.75 0.73 0.00 0.00 0.00 0.00 177.39 177.25 1udm n GLN 97 N -3.61 -0.08 0.04 1.96 1.13 -0.35 0.21 117.38 116.67 1udm n GLN 97 Ca 0.01 1.52 -0.01 0.00 -1.94 0.00 0.00 57.00 56.58 1udm n GLN 97 Cb 0.07 -2.34 0.28 0.00 0.11 0.00 0.00 30.24 28.36 1udm n GLN 97 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1udm h ARG 98 N 0.00 0.41 0.00 -1.09 2.43 -0.50 0.17 114.38 115.80 1udm h ARG 98 Ca 0.54 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 1udm h ARG 98 Cb 1.00 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 1udm h ARG 98 CO -0.98 0.56 0.00 0.00 -1.51 0.00 0.00 179.97 178.05 1udm h ALA 99 N 1.46 1.00 0.05 2.80 0.00 0.60 -3.21 119.26 121.97 1udm h ALA 99 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.61 1udm h ALA 99 Cb 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1udm h ALA 99 CO 0.03 0.00 -2.21 1.63 0.00 0.00 0.00 179.25 178.70 1udm n LYS 100 N -2.73 0.70 -0.02 0.00 4.76 0.74 -4.05 118.16 117.56 1udm n LYS 100 Ca 0.03 0.19 0.13 0.00 -2.87 0.00 0.00 58.31 55.79 1udm n LYS 100 Cb 0.40 -1.62 0.56 0.00 -1.84 0.00 0.00 35.03 32.52 1udm n LYS 100 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1udm h THR 101 N 0.03 0.89 -0.01 -0.18 2.02 -0.72 0.31 112.91 115.24 1udm h THR 101 Ca -0.49 -0.09 -0.18 0.00 0.77 0.00 0.00 66.41 66.42 1udm h THR 101 Cb 2.00 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.98 1udm h THR 101 CO 0.01 0.05 -0.79 1.23 0.37 0.00 0.00 175.52 176.39 1udm h GLY 102 N 0.28 0.18 1.14 2.16 0.00 -1.73 -2.96 103.07 102.14 1udm h GLY 102 Ca 0.23 -0.29 -0.28 0.00 0.00 0.00 0.00 47.33 46.99 1udm h GLY 102 CO -0.05 0.26 -1.15 -0.84 0.00 0.00 0.00 176.54 174.76 1udm h THR 103 N 0.10 1.31 0.00 4.70 2.02 -1.31 -3.17 112.91 116.57 1udm h THR 103 Ca -0.03 -2.43 0.00 0.00 0.77 0.00 0.00 66.41 64.73 1udm h THR 103 Cb 1.38 2.73 0.00 0.00 -1.74 0.00 0.00 68.15 70.52 1udm h THR 103 CO 0.12 0.73 0.00 0.47 0.37 0.00 0.00 175.52 177.21 1udm n ASP 104 N -3.86 0.00 -0.13 4.18 8.00 -0.05 -2.93 116.55 121.75 1udm n ASP 104 Ca -0.13 0.41 0.05 0.00 0.71 0.00 0.00 54.79 55.83 1udm n ASP 104 Cb 0.94 -0.46 0.36 0.00 -0.02 0.00 0.00 41.12 41.94 1udm n ASP 104 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1udm h LYS 105 N 0.00 0.72 -0.06 -1.24 3.11 -1.48 -0.52 116.57 117.10 1udm h LYS 105 Ca 0.00 -0.04 0.02 0.00 -2.81 0.00 0.00 60.65 57.81 1udm h LYS 105 Cb 0.24 -0.16 -0.00 0.00 -1.00 0.00 0.00 32.23 31.31 1udm h LYS 105 CO 0.00 0.47 0.10 1.15 -2.81 0.00 0.00 179.45 178.36 1udm h THR 106 N 0.74 0.29 0.00 1.00 2.02 -1.74 -1.19 112.91 114.02 1udm h THR 106 Ca 0.26 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.44 1udm h THR 106 Cb 0.11 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1udm h THR 106 CO -0.07 0.00 -0.00 -0.07 0.37 0.00 0.00 175.52 175.75 1udm h LEU 107 N 0.00 -0.00 -1.62 2.58 3.38 -1.33 -3.09 115.31 115.23 1udm h LEU 107 Ca 0.03 -0.85 -0.04 0.00 0.09 0.00 0.00 57.88 57.11 1udm h LEU 107 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1udm h LEU 107 CO -0.00 0.85 -0.15 0.58 0.09 0.00 0.00 178.44 179.81 1udm h VAL 108 N -0.87 1.13 -0.45 1.22 2.07 -1.39 -2.63 116.25 115.34 1udm h VAL 108 Ca -0.00 -0.60 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 1udm h VAL 108 Cb 0.85 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1udm h VAL 108 CO 0.00 0.18 0.02 0.50 0.02 0.00 0.00 177.57 178.29 1udm h LYS 109 N 0.05 0.77 -0.92 1.57 3.11 -1.32 -2.68 116.57 117.15 1udm h LYS 109 Ca 0.01 -0.23 0.37 0.00 -2.81 0.00 0.00 60.65 57.99 1udm h LYS 109 Cb 0.30 -0.08 -0.15 0.00 -1.00 0.00 0.00 32.23 31.30 1udm h LYS 109 CO 0.02 0.83 0.52 0.39 -2.81 0.00 0.00 179.45 178.39 1udm n GLU 110 N -4.41 -0.05 -0.02 1.90 -0.58 -0.99 0.29 120.64 116.78 1udm n GLU 110 Ca 0.00 1.18 -0.21 0.00 -0.42 0.00 0.00 57.16 57.71 1udm n GLU 110 Cb 0.28 -2.15 -0.13 0.00 -0.57 0.00 0.00 31.44 28.87 1udm n GLU 110 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1udm h VAL 111 N 0.00 0.97 -2.72 2.62 2.07 -1.67 -3.43 116.25 114.09 1udm h VAL 111 Ca 0.74 -2.34 -0.66 0.00 0.82 0.00 0.00 66.70 65.26 1udm h VAL 111 Cb 2.04 2.60 -0.17 0.00 -1.52 0.00 0.00 31.29 34.24 1udm h VAL 111 CO -0.62 0.64 0.43 -0.69 0.02 0.00 0.00 177.57 177.35 1udm s VAL 112 N -2.45 4.55 0.00 2.57 1.01 0.14 -4.74 120.40 121.49 1udm s VAL 112 Ca -0.22 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1udm s VAL 112 Cb 0.05 -4.63 0.00 0.00 0.00 0.00 0.00 36.38 31.80 1udm s VAL 112 CO 0.72 -1.35 0.00 0.00 0.00 0.00 0.00 175.10 174.47 1udm n GLN 113 N 7.08 0.87 0.25 2.72 10.64 -1.24 -4.58 117.38 133.12 1udm n GLN 113 Ca -0.02 0.00 0.08 0.00 -1.83 0.00 0.00 57.00 55.23 1udm n GLN 113 Cb 0.45 -1.00 0.63 0.00 -0.86 0.00 0.00 30.24 29.46 1udm n GLN 113 CO 0.00 0.00 0.00 -0.97 -1.83 0.00 0.00 177.06 174.26 1udm h ASN 114 N 0.00 0.00 -0.75 2.61 -1.24 -1.93 -3.43 115.58 110.84 1udm h ASN 114 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 1udm h ASN 114 Cb 0.99 0.00 0.01 0.00 0.73 0.00 0.00 38.32 40.05 1udm h ASN 114 CO 0.00 0.07 -0.01 2.22 -1.29 0.00 0.00 177.43 178.42 1udm n PHE 115 N -4.34 -1.40 -0.03 0.67 -1.74 -1.26 -4.82 117.46 104.54 1udm n PHE 115 Ca -0.03 -0.02 -0.03 0.00 -0.56 0.00 0.00 57.45 56.82 1udm n PHE 115 Cb 0.15 -0.08 -0.01 0.00 1.52 0.00 0.00 39.48 41.06 1udm n PHE 115 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1udm n ALA 116 N -2.13 0.26 -3.67 1.98 0.00 0.12 -4.85 120.51 112.22 1udm n ALA 116 Ca -0.01 -0.39 -0.08 0.00 0.00 0.00 0.00 53.44 52.97 1udm n ALA 116 Cb 0.02 0.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 1udm n ALA 116 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1udm s LYS 117 N -1.57 1.38 -0.13 0.00 2.20 -1.26 -5.05 119.74 115.31 1udm s LYS 117 Ca -0.08 -0.68 -0.21 0.00 -0.36 0.00 0.00 55.97 54.63 1udm s LYS 117 Cb 0.01 0.53 -0.03 0.00 -1.51 0.00 0.00 37.83 36.83 1udm s LYS 117 CO 0.12 -0.63 0.64 -1.83 -0.36 0.00 0.00 175.35 173.30 1udm s GLU 118 N -3.62 4.33 -0.44 4.03 4.04 -1.26 -1.71 118.70 124.07 1udm s GLU 118 Ca 0.08 0.70 -0.14 0.00 0.04 0.00 0.00 54.97 55.65 1udm s GLU 118 Cb -0.03 -3.50 0.06 0.00 0.02 0.00 0.00 34.13 30.68 1udm s GLU 118 CO -0.02 -0.05 0.34 -0.06 -1.84 0.00 0.00 175.26 173.63 1udm s PHE 119 N 1.25 3.26 -0.70 4.83 0.40 0.27 -4.86 117.98 122.43 1udm s PHE 119 Ca 0.32 -0.93 -0.25 0.00 -0.60 0.00 0.00 56.93 55.47 1udm s PHE 119 Cb -0.16 -2.94 0.05 0.00 0.51 0.00 0.00 43.02 40.48 1udm s PHE 119 CO 0.13 -0.74 1.14 0.08 0.70 0.00 0.00 175.22 176.53 1udm s VAL 120 N 1.61 3.99 -0.02 -0.44 1.01 -1.26 0.20 120.40 125.49 1udm s VAL 120 Ca 0.04 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.18 1udm s VAL 120 Cb -0.22 -4.81 -0.03 0.00 0.00 0.00 0.00 36.38 31.32 1udm s VAL 120 CO 0.07 -1.66 -0.11 -0.63 0.00 0.00 0.00 175.10 172.77 1udm s ILE 121 N 4.99 3.36 -0.01 2.22 1.01 0.38 -4.94 121.20 128.21 1udm s ILE 121 Ca 0.30 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1udm s ILE 121 Cb -0.12 -2.40 -0.01 0.00 0.01 0.00 0.00 42.46 39.95 1udm s ILE 121 CO 0.14 0.47 0.01 -1.20 0.00 0.00 0.00 174.94 174.36 1udm n SER 122 N 1.88 3.51 -4.26 3.58 7.64 -1.26 -1.46 113.62 123.25 1udm n SER 122 Ca -0.16 -0.15 -0.33 0.00 1.01 0.00 0.00 58.87 59.24 1udm n SER 122 Cb 0.52 1.01 -0.16 0.00 -1.01 0.00 0.00 64.21 64.58 1udm n SER 122 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1udm s ASP 123 N -1.76 3.54 0.40 6.43 -1.08 -1.26 -3.81 116.67 119.13 1udm s ASP 123 Ca -0.00 -0.48 0.16 0.00 -0.52 0.00 0.00 52.55 51.71 1udm s ASP 123 Cb 0.00 -1.53 1.04 0.00 -1.46 0.00 0.00 42.92 40.97 1udm s ASP 123 CO 0.02 0.11 1.84 0.03 0.52 0.00 0.00 175.17 177.69 1udm h ARG 124 N 7.11 0.44 0.00 4.34 3.08 -1.94 0.30 114.38 127.71 1udm h ARG 124 Ca -0.29 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1udm h ARG 124 Cb 1.20 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1udm h ARG 124 CO 0.55 0.29 0.26 -0.22 -1.07 0.00 0.00 179.97 179.78 1udm h LYS 125 N 0.46 0.00 0.00 0.04 1.63 -2.01 0.75 116.57 117.43 1udm h LYS 125 Ca 0.49 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.29 1udm h LYS 125 Cb 1.14 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 1udm h LYS 125 CO -0.20 0.00 -1.44 0.39 -3.45 0.00 0.00 179.45 174.75 1udm n GLU 126 N -2.23 0.81 0.12 1.90 1.02 0.11 -4.28 120.64 118.08 1udm n GLU 126 Ca -0.01 -0.10 0.11 0.00 -0.02 0.00 0.00 57.16 57.14 1udm n GLU 126 Cb 0.29 -1.39 0.47 0.00 -0.02 0.00 0.00 31.44 30.79 1udm n GLU 126 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1udm n LEU 127 N -1.85 0.58 -4.46 -4.62 7.99 0.26 -4.56 117.00 110.34 1udm n LEU 127 Ca -0.01 0.65 -0.47 0.00 -0.01 0.00 0.00 56.01 56.18 1udm n LEU 127 Cb 0.39 -0.59 -0.08 0.00 -0.11 0.00 0.00 43.42 43.04 1udm n LEU 127 CO 0.37 -0.56 1.91 -0.62 -1.51 0.00 0.00 177.39 176.98 1udm n GLU 128 N -2.15 0.82 -0.48 3.23 1.02 -1.21 -4.75 120.64 117.12 1udm n GLU 128 Ca 0.02 0.17 0.40 0.00 -0.02 0.00 0.00 57.16 57.74 1udm n GLU 128 Cb 0.21 -2.41 0.67 0.00 -0.02 0.00 0.00 31.44 29.89 1udm n GLU 128 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1udm n GLU 129 N 8.35 -0.03 -0.23 3.49 2.13 -1.26 0.16 120.64 133.24 1udm n GLU 129 Ca 0.46 1.21 -0.02 0.00 0.66 0.00 0.00 57.16 59.47 1udm n GLU 129 Cb 0.23 -2.41 0.09 0.00 0.27 0.00 0.00 31.44 29.62 1udm n GLU 129 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 1udm h ASP 130 N 0.00 0.55 -0.19 4.31 3.04 -1.94 -1.75 116.42 120.43 1udm h ASP 130 Ca 0.86 0.03 -0.11 0.00 -3.24 0.00 0.00 57.03 54.57 1udm h ASP 130 Cb 2.85 -0.08 -0.01 0.00 -1.04 0.00 0.00 39.33 41.04 1udm h ASP 130 CO -0.42 0.36 -0.25 0.15 -2.04 0.00 0.00 179.24 177.04 1udm h PHE 131 N 0.69 0.76 -0.22 4.15 3.57 0.12 -3.12 116.94 122.88 1udm h PHE 131 Ca 0.29 -0.17 0.02 0.00 3.53 0.00 0.00 57.97 61.64 1udm h PHE 131 Cb 0.17 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1udm h PHE 131 CO -0.08 0.85 0.06 0.82 -2.23 0.00 0.00 178.31 177.74 1udm h ILE 132 N 0.58 0.92 -0.08 1.41 1.08 -1.02 -2.99 117.51 117.42 1udm h ILE 132 Ca 0.08 -0.05 0.03 0.00 -0.39 0.00 0.00 64.86 64.53 1udm h ILE 132 Cb 0.74 0.76 -0.06 0.00 -3.07 0.00 0.00 36.82 35.18 1udm h ILE 132 CO 0.06 0.03 -0.47 0.03 -0.69 0.00 0.00 178.15 177.11 1udm h ARG 133 N 0.15 -0.55 -1.05 2.37 -0.00 -1.34 -0.35 114.38 113.61 1udm h ARG 133 Ca 0.10 0.04 0.42 0.00 -0.50 0.00 0.00 59.98 60.03 1udm h ARG 133 Cb 0.08 0.12 -0.17 0.00 0.00 0.00 0.00 29.97 30.00 1udm h ARG 133 CO -0.11 -0.37 0.59 1.03 0.00 0.00 0.00 179.97 181.11 1udm h SER 134 N -0.57 0.33 0.37 7.04 0.87 -1.53 0.26 113.55 120.31 1udm h SER 134 Ca 0.05 0.24 -0.02 0.00 -1.23 0.00 0.00 61.79 60.83 1udm h SER 134 Cb 0.67 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1udm h SER 134 CO -0.38 -0.38 -0.18 -0.33 -0.53 0.00 0.00 176.83 175.03 1udm h GLU 135 N 0.04 -0.48 -1.00 2.24 4.39 -1.03 -3.13 114.58 115.62 1udm h GLU 135 Ca 0.84 0.03 0.23 0.00 0.34 0.00 0.00 59.36 60.80 1udm h GLU 135 Cb 2.26 0.11 -0.10 0.00 -0.10 0.00 0.00 28.75 30.92 1udm h GLU 135 CO -0.71 -0.16 0.63 -0.07 -1.16 0.00 0.00 179.01 177.54 1udm h LEU 136 N -0.87 0.58 -1.12 1.33 3.38 0.02 0.13 115.31 118.76 1udm h LEU 136 Ca -0.05 0.09 0.26 0.00 0.09 0.00 0.00 57.88 58.27 1udm h LEU 136 Cb 0.54 -0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.16 1udm h LEU 136 CO 0.08 0.16 0.62 0.50 0.09 0.00 0.00 178.44 179.90 1udm h LYS 137 N 0.54 0.48 -0.23 1.13 3.64 -1.07 0.28 116.57 121.33 1udm h LYS 137 Ca 0.57 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.93 1udm h LYS 137 Cb 1.21 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1udm h LYS 137 CO -0.33 0.31 0.00 0.36 -2.27 0.00 0.00 179.45 177.53 1udm n LYS 138 N -4.82 2.71 -0.29 1.90 2.85 0.33 -4.80 118.16 116.04 1udm n LYS 138 Ca 0.27 -2.64 -0.08 0.00 -1.05 0.00 0.00 58.31 54.81 1udm n LYS 138 Cb 0.83 -1.69 -0.07 0.00 -0.65 0.00 0.00 35.03 33.45 1udm n LYS 138 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1udm n ALA 139 N -0.47 -0.44 -1.72 0.58 0.00 0.98 -4.38 120.51 115.07 1udm n ALA 139 Ca 0.18 0.59 0.00 0.00 0.00 0.00 0.00 53.44 54.21 1udm n ALA 139 Cb 0.77 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.17 1udm n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1udm n GLY 140 N -1.17 0.59 3.61 0.00 0.00 -1.26 -5.05 105.19 101.91 1udm n GLY 140 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 1udm n GLY 140 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1udm s GLY 141 N 0.00 -0.37 0.29 -0.02 0.00 -1.26 -5.02 107.32 100.94 1udm s GLY 141 Ca 0.00 1.00 -0.00 0.00 0.00 0.00 0.00 44.72 45.72 1udm s GLY 141 CO 0.00 0.26 1.59 0.00 0.00 0.00 0.00 173.10 174.95 1udm h ALA 142 N 2.00 1.09 -2.04 3.20 0.00 -1.98 -3.41 119.26 118.13 1udm h ALA 142 Ca -0.23 0.31 -0.41 0.00 0.00 0.00 0.00 54.91 54.59 1udm h ALA 142 Cb 1.19 0.54 0.20 0.00 0.00 0.00 0.00 17.79 19.72 1udm h ALA 142 CO 0.26 -0.53 0.01 -0.80 0.00 0.00 0.00 179.25 178.20 1udm s ASN 143 N -5.06 0.17 -0.82 0.00 -0.87 -1.26 -4.26 114.94 102.83 1udm s ASN 143 Ca -0.13 0.88 -0.04 0.00 -1.57 0.00 0.00 52.86 52.00 1udm s ASN 143 Cb 0.27 -1.28 0.00 0.00 -0.02 0.00 0.00 41.25 40.23 1udm s ASN 143 CO 0.77 -4.61 0.72 -1.22 -2.57 0.00 0.00 177.10 170.18 1udm n TYR 144 N -5.13 -1.71 -3.55 2.20 4.01 -1.26 -5.02 117.16 106.71 1udm n TYR 144 Ca 0.11 0.62 -0.13 0.00 -0.16 0.00 0.00 57.90 58.34 1udm n TYR 144 Cb 0.59 -3.60 -0.05 0.00 -0.31 0.00 0.00 39.34 35.97 1udm n TYR 144 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1udm s ASP 145 N -3.33 -0.48 0.03 7.72 -1.08 -1.26 -5.04 116.67 113.23 1udm s ASP 145 Ca 0.29 0.47 -0.02 0.00 -0.52 0.00 0.00 52.55 52.77 1udm s ASP 145 Cb -0.13 0.41 -0.02 0.00 -1.46 0.00 0.00 42.92 41.72 1udm s ASP 145 CO 0.45 -0.48 0.02 0.00 0.52 0.00 0.00 175.17 175.68 1udm s ALA 146 N -1.39 0.14 0.24 3.66 0.00 -1.26 -5.13 121.76 118.02 1udm s ALA 146 Ca -0.04 -0.71 -0.31 0.00 0.00 0.00 0.00 51.96 50.90 1udm s ALA 146 Cb -0.00 0.21 -0.14 0.00 0.00 0.00 0.00 23.12 23.19 1udm s ALA 146 CO 0.03 -0.26 1.28 0.94 0.00 0.00 0.00 175.76 177.75 1udm n GLN 147 N 0.96 1.71 -4.07 0.00 7.27 -1.26 -4.98 117.38 117.03 1udm n GLN 147 Ca -0.20 0.61 -0.31 0.00 0.07 0.00 0.00 57.00 57.16 1udm n GLN 147 Cb 0.58 -2.18 -0.16 0.00 2.41 0.00 0.00 30.24 30.89 1udm n GLN 147 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 1udm s SER 148 N 0.05 2.94 0.00 1.69 0.01 -1.26 -5.32 113.70 111.82 1udm s SER 148 Ca 0.67 -0.59 0.19 0.00 1.31 0.00 0.00 55.95 57.53 1udm s SER 148 Cb -0.70 -1.33 0.15 0.00 0.21 0.00 0.00 66.02 64.35 1udm s SER 148 CO 0.53 -0.04 1.10 -1.84 0.41 0.00 0.00 173.24 173.41