#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 5.98 -1.21 1.61 0.01 -1.26 -3.65 113.70 115.18 1udm s SER 2 Ca 0.00 -0.29 -0.07 0.00 1.31 0.00 0.00 55.95 56.90 1udm s SER 2 Cb 0.00 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.68 1udm s SER 2 CO 0.00 -1.95 1.05 -0.62 0.41 0.00 0.00 173.24 172.13 1udm n GLU 3 N 9.34 -7.05 0.00 12.44 4.71 -1.26 -4.72 120.64 134.10 1udm n GLU 3 Ca 0.07 0.76 0.00 0.00 -0.01 0.00 0.00 57.16 57.97 1udm n GLU 3 Cb 0.50 -5.57 0.00 0.00 -1.01 0.00 0.00 31.44 25.35 1udm n GLU 3 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1udm n GLY 4 N -1.74 1.50 0.28 0.62 0.00 -1.24 -5.04 105.19 99.56 1udm n GLY 4 Ca -0.04 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 1udm n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm h ALA 5 N 0.00 -0.78 -2.24 4.61 0.00 -1.85 -3.46 119.26 115.56 1udm h ALA 5 Ca 0.00 -0.15 -0.48 0.00 0.00 0.00 0.00 54.91 54.28 1udm h ALA 5 Cb 0.00 0.26 0.19 0.00 0.00 0.00 0.00 17.79 18.24 1udm h ALA 5 CO 0.00 -0.73 0.15 0.00 0.00 0.00 0.00 179.25 178.67 1udm s ALA 6 N -4.32 0.73 -0.02 0.00 0.00 -1.26 -4.97 121.76 111.92 1udm s ALA 6 Ca -0.10 0.17 0.06 0.00 0.00 0.00 0.00 51.96 52.09 1udm s ALA 6 Cb 0.01 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.80 1udm s ALA 6 CO 0.29 -3.09 -0.21 -0.08 0.00 0.00 0.00 175.76 172.68 1udm s THR 7 N -2.64 1.63 -0.20 0.00 -1.32 -1.26 -5.13 115.64 106.73 1udm s THR 7 Ca 0.67 -0.89 -0.05 0.00 -1.21 0.00 0.00 61.69 60.21 1udm s THR 7 Cb -0.23 -1.36 -0.03 0.00 -1.51 0.00 0.00 72.50 69.38 1udm s THR 7 CO 0.60 0.46 0.01 0.00 -2.21 0.00 0.00 174.62 173.48 1udm s MET 8 N -0.49 3.66 0.46 7.08 0.23 -1.26 -5.03 119.30 123.94 1udm s MET 8 Ca 0.08 -0.50 0.00 0.00 -1.03 0.00 0.00 55.69 54.24 1udm s MET 8 Cb -0.08 -3.09 0.00 0.00 -1.53 0.00 0.00 34.83 30.13 1udm s MET 8 CO -0.01 0.04 0.00 0.00 -2.03 0.00 0.00 175.02 173.02 1udm n ALA 9 N 4.17 0.00 -3.51 3.16 0.00 -1.26 -4.95 120.51 118.12 1udm n ALA 9 Ca -0.17 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.11 1udm n ALA 9 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 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 0.00 0.00 0.31 0.00 2.01 -1.26 -5.06 115.64 111.64 1udm s THR 10 Ca 0.00 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.03 1udm s THR 10 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1udm s THR 10 CO 0.00 0.00 0.13 -0.54 -0.69 0.00 0.00 174.62 173.52 1udm s LYS 11 N -1.64 1.59 0.05 4.92 -0.14 -1.25 -5.06 119.74 118.21 1udm s LYS 11 Ca -0.08 -1.90 0.04 0.00 -1.36 0.00 0.00 55.97 52.67 1udm s LYS 11 Cb -0.00 -0.25 -0.02 0.00 -1.68 0.00 0.00 37.83 35.87 1udm s LYS 11 CO 0.05 -0.40 -0.13 -1.50 -0.76 0.00 0.00 175.35 172.62 1udm s ILE 12 N -3.58 0.98 -0.04 2.17 2.07 -1.26 -0.80 121.20 120.74 1udm s ILE 12 Ca 0.35 -1.10 -0.04 0.00 -1.41 0.00 0.00 60.65 58.45 1udm s ILE 12 Cb 0.06 -0.93 -0.15 0.00 0.13 0.00 0.00 42.46 41.56 1udm s ILE 12 CO 0.16 -0.15 3.05 0.47 -1.91 0.00 0.00 174.94 176.56 1udm n ASP 13 N 1.63 5.39 -0.05 4.50 9.92 0.12 -4.71 116.55 133.34 1udm n ASP 13 Ca -0.20 -2.52 0.02 0.00 -0.53 0.00 0.00 54.79 51.56 1udm n ASP 13 Cb 0.55 -1.31 0.05 0.00 -0.64 0.00 0.00 41.12 39.76 1udm n ASP 13 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1udm n LYS 14 N 2.04 -0.01 0.51 -1.24 5.02 -1.26 0.24 118.16 123.45 1udm n LYS 14 Ca 0.30 0.21 -0.20 0.00 -2.02 0.00 0.00 58.31 56.60 1udm n LYS 14 Cb 0.76 -0.33 -0.10 0.00 -0.02 0.00 0.00 35.03 35.35 1udm n LYS 14 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1udm h GLU 15 N 0.00 -1.25 -0.17 1.97 5.08 -1.98 0.43 114.58 118.66 1udm h GLU 15 Ca 0.09 0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 1udm h GLU 15 Cb 0.19 0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1udm h GLU 15 CO -0.13 -0.83 -0.18 0.00 -1.00 0.00 0.00 179.01 176.87 1udm h ALA 16 N -1.36 1.38 0.51 3.43 0.00 0.26 -3.19 119.26 120.29 1udm h ALA 16 Ca -0.13 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1udm h ALA 16 Cb 1.00 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.70 1udm h ALA 16 CO 0.20 0.43 -0.25 0.00 0.00 0.00 0.00 179.25 179.64 1udm n ARG 18 N -5.26 -0.06 0.22 0.00 0.63 0.15 0.52 116.66 112.87 1udm n ARG 18 Ca -0.10 1.31 -0.15 0.00 -0.92 0.00 0.00 57.85 57.98 1udm n ARG 18 Cb 0.31 -2.29 -0.08 0.00 0.45 0.00 0.00 32.46 30.85 1udm n ARG 18 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1udm h ALA 19 N 1.86 -0.51 -0.83 5.13 0.00 -1.55 -0.36 119.26 123.00 1udm h ALA 19 Ca 0.75 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.53 1udm h ALA 19 Cb 1.92 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.88 1udm h ALA 19 CO -0.75 -0.79 0.43 0.00 0.00 0.00 0.00 179.25 178.15 1udm h ALA 20 N 0.12 1.06 0.00 0.00 0.00 0.09 0.21 119.26 120.75 1udm h ALA 20 Ca -0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1udm h ALA 20 Cb 0.40 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1udm h ALA 20 CO 0.08 0.59 -0.06 -0.92 0.00 0.00 0.00 179.25 178.94 1udm h TYR 21 N 1.16 0.00 0.02 0.00 3.20 -0.70 -3.11 116.97 117.54 1udm h TYR 21 Ca 0.29 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.89 1udm h TYR 21 Cb 0.07 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 1udm h TYR 21 CO 0.01 0.06 -1.45 0.09 -1.64 0.00 0.00 178.16 175.24 1udm n ASN 22 N -3.31 1.91 0.27 -2.11 3.02 -0.16 -2.43 115.26 112.45 1udm n ASN 22 Ca -0.01 0.38 0.09 0.00 -0.03 0.00 0.00 54.58 55.01 1udm n ASN 22 Cb 0.24 -0.94 0.37 0.00 -0.61 0.00 0.00 39.78 38.84 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 -0.80 0.00 0.00 3.41 -0.00 -0.55 0.50 115.31 117.87 1udm h LEU 23 Ca -0.38 0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 57.24 1udm h LEU 23 Cb 1.45 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 42.07 1udm h LEU 23 CO -0.16 0.00 -2.01 0.55 -0.00 0.00 0.00 178.44 176.82 1udm n VAL 24 N -2.77 1.01 0.21 1.22 3.14 -1.21 -4.05 118.33 115.88 1udm n VAL 24 Ca 0.02 -0.41 0.05 0.00 -2.96 0.00 0.00 64.34 61.04 1udm n VAL 24 Cb 0.81 -1.08 0.46 0.00 -1.06 0.00 0.00 33.84 32.96 1udm n VAL 24 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1udm h ARG 25 N 0.00 0.00 -6.73 1.45 2.43 -0.30 -3.43 114.38 107.79 1udm h ARG 25 Ca -0.40 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.26 1udm h ARG 25 Cb 1.64 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 31.21 1udm h ARG 25 CO -0.05 0.27 0.53 0.34 -1.51 0.00 0.00 179.97 179.54 1udm s ASP 26 N -6.83 7.15 -0.05 -3.80 2.15 0.14 -4.91 116.67 110.52 1udm s ASP 26 Ca -0.03 2.27 0.03 0.00 0.43 0.00 0.00 52.55 55.25 1udm s ASP 26 Cb 0.15 -2.62 0.17 0.00 -0.30 0.00 0.00 42.92 40.32 1udm s ASP 26 CO 0.69 -0.28 0.77 -0.90 -0.17 0.00 0.00 175.17 175.28 1udm n ASP 27 N 1.88 1.98 0.00 -0.34 5.68 -1.26 -3.26 116.55 121.24 1udm n ASP 27 Ca 0.02 -2.19 0.00 0.00 -0.50 0.00 0.00 54.79 52.11 1udm n ASP 27 Cb 0.45 -0.53 0.00 0.00 -1.14 0.00 0.00 41.12 39.89 1udm n ASP 27 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1udm n GLY 28 N 0.14 -0.38 3.20 6.12 0.00 -1.26 -4.98 105.19 108.03 1udm n GLY 28 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.07 5.24 0.36 1.61 0.01 -1.20 -4.96 113.70 114.70 1udm s SER 29 Ca 0.00 -1.51 0.28 0.00 1.31 0.00 0.00 55.95 56.04 1udm s SER 29 Cb 0.00 -1.84 1.21 0.00 0.21 0.00 0.00 66.02 65.60 1udm s SER 29 CO 0.00 -0.41 1.22 0.00 0.41 0.00 0.00 173.24 174.46 1udm n ALA 30 N 4.72 1.16 -1.62 1.44 0.00 -1.26 -4.42 120.51 120.52 1udm n ALA 30 Ca -0.09 0.64 -0.50 0.00 0.00 0.00 0.00 53.44 53.49 1udm n ALA 30 Cb 0.43 -0.84 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 1udm n ALA 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1udm n VAL 31 N -4.09 0.03 0.00 0.00 0.31 -1.26 -4.20 118.33 109.12 1udm n VAL 31 Ca 0.32 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.65 1udm n VAL 31 Cb 1.30 -1.08 -0.00 0.00 -0.91 0.00 0.00 33.84 33.15 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 2.97 0.00 -4.14 2.52 -5.35 -0.79 -4.11 119.36 110.46 1udm n ILE 32 Ca 0.18 -0.06 -0.15 0.00 -0.27 0.00 0.00 62.75 62.46 1udm n ILE 32 Cb 0.22 0.55 -0.13 0.00 -1.74 0.00 0.00 39.64 38.53 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 -1.92 0.58 -0.08 4.28 1.48 -1.02 -0.72 118.94 121.54 1udm s TRP 33 Ca -0.00 -0.25 -0.03 0.00 -1.06 0.00 0.00 56.10 54.75 1udm s TRP 33 Cb 0.00 -0.36 0.05 0.00 -1.16 0.00 0.00 33.47 32.00 1udm s TRP 33 CO 0.01 -0.03 0.16 0.14 -4.06 0.00 0.00 176.95 173.17 1udm s VAL 34 N -0.61 -0.26 0.33 -0.66 -7.23 0.54 -3.11 120.40 109.40 1udm s VAL 34 Ca -0.02 0.36 -0.05 0.00 -1.81 0.00 0.00 61.98 60.45 1udm s VAL 34 Cb -0.05 -0.29 -0.05 0.00 0.56 0.00 0.00 36.38 36.54 1udm s VAL 34 CO 0.00 0.15 0.60 0.42 -0.31 0.00 0.00 175.10 175.96 1udm s THR 35 N 2.28 4.99 -0.31 5.32 -4.23 -1.05 -0.49 115.64 122.16 1udm s THR 35 Ca 0.03 0.08 -0.01 0.00 -1.18 0.00 0.00 61.69 60.60 1udm s THR 35 Cb -0.12 -3.76 0.10 0.00 1.34 0.00 0.00 72.50 70.06 1udm s THR 35 CO -0.06 -0.42 0.11 -0.36 -0.54 0.00 0.00 174.62 173.35 1udm s PHE 36 N -2.20 1.38 0.61 3.99 0.40 0.12 -0.11 117.98 122.18 1udm s PHE 36 Ca 0.45 -1.54 0.07 0.00 -0.60 0.00 0.00 56.93 55.30 1udm s PHE 36 Cb -0.10 -1.52 0.10 0.00 0.51 0.00 0.00 43.02 42.00 1udm s PHE 36 CO 0.32 -0.87 0.85 -0.98 0.70 0.00 0.00 175.22 175.24 1udm s ARG 37 N 1.71 2.14 0.08 0.44 1.70 0.23 -2.08 118.95 123.17 1udm s ARG 37 Ca 0.10 -1.53 -0.07 0.00 -0.47 0.00 0.00 55.73 53.75 1udm s ARG 37 Cb -0.17 -2.57 -0.05 0.00 -0.57 0.00 0.00 34.95 31.58 1udm s ARG 37 CO -0.28 -1.02 0.36 0.71 -1.08 0.00 0.00 175.30 174.00 1udm s TYR 38 N -2.79 3.55 -0.14 5.89 2.02 -1.26 -0.05 117.35 124.56 1udm s TYR 38 Ca 0.63 0.67 0.12 0.00 -0.37 0.00 0.00 57.07 58.12 1udm s TYR 38 Cb -0.05 -2.07 0.22 0.00 -0.40 0.00 0.00 41.96 39.65 1udm s TYR 38 CO 0.40 0.52 1.13 -3.47 -1.57 0.00 0.00 175.55 172.56 1udm n ASP 39 N 0.71 2.42 0.00 2.29 2.03 -0.87 -4.88 116.55 118.26 1udm n ASP 39 Ca -0.07 -2.65 0.00 0.00 0.52 0.00 0.00 54.79 52.59 1udm n ASP 39 Cb 0.52 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 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 -0.91 1.22 0.09 0.27 0.00 -1.26 -4.81 105.19 99.79 1udm n GLY 40 Ca 0.11 -0.34 0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 2.27 -3.50 4.61 0.00 -1.26 -5.02 120.51 117.61 1udm n ALA 41 Ca 0.00 -2.57 -0.17 0.00 0.00 0.00 0.00 53.44 50.70 1udm n ALA 41 Cb 0.00 -0.38 -0.06 0.00 0.00 0.00 0.00 19.45 19.01 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 -2.82 0.01 0.17 0.00 2.01 -1.26 -3.89 115.64 109.86 1udm s THR 42 Ca 0.31 -0.05 -0.29 0.00 0.31 0.00 0.00 61.69 61.98 1udm s THR 42 Cb 0.27 -0.96 -0.07 0.00 0.01 0.00 0.00 72.50 71.75 1udm s THR 42 CO 0.03 -0.02 0.91 -0.63 -0.69 0.00 0.00 174.62 174.21 1udm s ILE 43 N -1.13 4.32 0.00 1.82 1.01 0.02 -2.04 121.20 125.20 1udm s ILE 43 Ca -0.11 1.98 -0.11 0.00 0.00 0.00 0.00 60.65 62.42 1udm s ILE 43 Cb -0.01 -4.28 0.01 0.00 0.01 0.00 0.00 42.46 38.19 1udm s ILE 43 CO 0.09 0.43 0.22 0.68 0.00 0.00 0.00 174.94 176.36 1udm s VAL 44 N -0.66 0.08 0.21 2.92 -7.23 0.92 0.10 120.40 116.74 1udm s VAL 44 Ca 0.42 -0.62 -0.32 0.00 -1.81 0.00 0.00 61.98 59.65 1udm s VAL 44 Cb -0.24 -0.58 -0.14 0.00 0.56 0.00 0.00 36.38 35.97 1udm s VAL 44 CO 0.30 -0.34 1.30 -2.65 -0.31 0.00 0.00 175.10 173.39 1udm n PRO 45 N 1.25 1.67 0.00 4.82 -0.02 -1.26 -0.60 135.00 140.85 1udm n PRO 45 Ca -0.22 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1udm n PRO 45 Cb 0.56 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 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 2.08 0.08 3.67 -1.23 0.00 0.85 -4.63 105.19 106.01 1udm n GLY 46 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 3.75 0.15 1.61 1.11 -1.25 -4.98 116.67 116.06 1udm s ASP 47 Ca 0.00 -1.58 -0.18 0.00 0.18 0.00 0.00 52.55 50.97 1udm s ASP 47 Cb 0.00 0.30 0.04 0.00 1.07 0.00 0.00 42.92 44.33 1udm s ASP 47 CO 0.00 -0.77 0.48 -1.10 1.18 0.00 0.00 175.17 174.96 1udm s GLN 48 N -3.82 1.19 0.00 8.23 -0.21 -1.26 -2.53 119.66 121.27 1udm s GLN 48 Ca 0.16 -0.69 0.00 0.00 0.02 0.00 0.00 55.36 54.85 1udm s GLN 48 Cb 0.04 0.51 0.00 0.00 1.00 0.00 0.00 33.01 34.56 1udm s GLN 48 CO 0.09 -0.49 0.00 0.41 -2.12 0.00 0.00 175.29 173.17 1udm n GLY 49 N -0.29 2.37 0.07 3.09 0.00 -1.18 -4.99 105.19 104.26 1udm n GLY 49 Ca -0.15 -1.03 0.11 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.99 2.63 -2.60 4.61 0.00 -1.26 -1.89 120.51 121.02 1udm n ALA 50 Ca 0.00 -0.35 -0.42 0.00 0.00 0.00 0.00 53.44 52.67 1udm n ALA 50 Cb 0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 1udm n ALA 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1udm s ASP 51 N -5.03 6.28 0.55 0.00 1.01 -1.26 -4.55 116.67 113.67 1udm s ASP 51 Ca -0.04 -0.29 0.27 0.00 0.71 0.00 0.00 52.55 53.21 1udm s ASP 51 Cb 0.11 -2.53 1.44 0.00 1.01 0.00 0.00 42.92 42.95 1udm s ASP 51 CO 0.84 -1.61 1.98 0.22 0.21 0.00 0.00 175.17 176.80 1udm h TYR 52 N 9.74 0.00 -0.26 4.23 5.03 -1.98 0.14 116.97 133.87 1udm h TYR 52 Ca -0.27 0.00 -0.08 0.00 2.58 0.00 0.00 58.73 60.96 1udm h TYR 52 Cb 1.06 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.32 1udm h TYR 52 CO 1.06 0.00 -0.19 1.96 -1.32 0.00 0.00 178.16 179.67 1udm h GLN 53 N 0.00 0.47 -0.17 1.82 1.08 -1.99 -2.61 115.11 113.71 1udm h GLN 53 Ca 0.25 -0.15 -0.07 0.00 -1.45 0.00 0.00 58.65 57.23 1udm h GLN 53 Cb 1.05 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.43 1udm h GLN 53 CO -0.00 0.64 -0.19 0.45 -0.95 0.00 0.00 178.83 178.78 1udm h HIS 54 N 0.43 0.30 -0.55 2.96 3.86 -1.12 -2.73 115.15 118.30 1udm h HIS 54 Ca 0.07 -0.05 -0.08 0.00 -1.16 0.00 0.00 60.37 59.15 1udm h HIS 54 Cb 0.58 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.94 1udm h HIS 54 CO 0.02 0.46 0.01 0.35 0.86 0.00 0.00 177.93 179.64 1udm h PHE 55 N 0.26 1.04 0.00 2.45 3.57 -1.41 -2.51 116.94 120.35 1udm h PHE 55 Ca 0.05 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.36 1udm h PHE 55 Cb 0.49 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 1udm h PHE 55 CO 0.01 0.94 -0.04 0.82 -2.23 0.00 0.00 178.31 177.81 1udm h ILE 56 N 0.84 0.13 0.00 1.41 2.04 -1.41 -2.17 117.51 118.35 1udm h ILE 56 Ca 0.16 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1udm h ILE 56 Cb 0.52 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1udm h ILE 56 CO 0.03 0.04 0.00 0.00 0.00 0.00 0.00 178.15 178.22 1udm n GLN 57 N -3.17 0.90 -0.06 2.37 3.00 -0.94 -3.13 117.38 116.34 1udm n GLN 57 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.92 1udm n GLN 57 Cb 0.30 -1.45 -0.09 0.00 0.00 0.00 0.00 30.24 28.99 1udm n GLN 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1udm n GLN 58 N -0.95 1.82 -2.53 -1.09 1.13 -0.82 -4.94 117.38 110.00 1udm n GLN 58 Ca 0.19 0.01 -0.43 0.00 -1.94 0.00 0.00 57.00 54.83 1udm n GLN 58 Cb 0.09 -1.31 -0.02 0.00 0.11 0.00 0.00 30.24 29.11 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 3.77 0.75 -2.00 0.00 -4.23 -1.26 -4.98 115.64 107.69 1udm s THR 60 Ca 0.50 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.17 1udm s THR 60 Cb -0.16 -2.68 0.45 0.00 1.34 0.00 0.00 72.50 71.45 1udm s THR 60 CO 0.16 -0.00 1.39 0.47 -0.54 0.00 0.00 174.62 176.10 1udm n ASP 61 N -0.53 0.00 -0.07 3.99 9.92 -1.26 -2.16 116.55 126.45 1udm n ASP 61 Ca -0.01 -0.79 0.09 0.00 -0.53 0.00 0.00 54.79 53.55 1udm n ASP 61 Cb 0.66 0.00 0.12 0.00 -0.64 0.00 0.00 41.12 41.27 1udm n ASP 61 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1udm n ASP 62 N -0.89 2.32 -3.57 -2.24 8.00 -1.26 -3.06 116.55 115.84 1udm n ASP 62 Ca 0.12 -2.95 -0.17 0.00 0.71 0.00 0.00 54.79 52.51 1udm n ASP 62 Cb 0.05 -0.37 -0.07 0.00 -0.02 0.00 0.00 41.12 40.72 1udm n ASP 62 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1udm s VAL 63 N -2.63 0.01 -0.06 2.53 0.11 -0.92 -5.03 120.40 114.42 1udm s VAL 63 Ca 0.28 -0.11 -0.03 0.00 -2.93 0.00 0.00 61.98 59.19 1udm s VAL 63 Cb 0.24 -0.92 0.03 0.00 -1.53 0.00 0.00 36.38 34.21 1udm s VAL 63 CO 0.03 -0.06 0.15 0.00 -3.33 0.00 0.00 175.10 171.88 1udm s ARG 64 N -1.27 0.11 0.17 1.54 3.03 -1.26 -1.78 118.95 119.48 1udm s ARG 64 Ca -0.11 0.34 -0.24 0.00 2.03 0.00 0.00 55.73 57.75 1udm s ARG 64 Cb -0.01 -0.13 0.06 0.00 -1.03 0.00 0.00 34.95 33.84 1udm s ARG 64 CO 0.08 -0.14 0.96 -0.48 -1.13 0.00 0.00 175.30 174.60 1udm s LEU 65 N 0.97 -0.14 0.45 -1.89 -0.00 -0.40 -4.73 118.68 112.93 1udm s LEU 65 Ca -0.07 -0.47 -0.10 0.00 -0.00 0.00 0.00 54.13 53.48 1udm s LEU 65 Cb -0.09 2.18 -0.06 0.00 -0.00 0.00 0.00 46.19 48.22 1udm s LEU 65 CO -0.05 -0.95 0.81 -0.36 -0.00 0.00 0.00 176.35 175.80 1udm s PHE 66 N -3.10 3.50 -0.29 3.48 0.40 -0.88 0.63 117.98 121.73 1udm s PHE 66 Ca 0.14 1.04 -0.01 0.00 -0.60 0.00 0.00 56.93 57.49 1udm s PHE 66 Cb -0.02 -2.45 0.13 0.00 0.51 0.00 0.00 43.02 41.18 1udm s PHE 66 CO 0.03 -0.21 0.25 0.00 0.70 0.00 0.00 175.22 176.00 1udm s ALA 67 N -2.53 -0.19 -0.32 5.36 0.00 0.39 0.12 121.76 124.58 1udm s ALA 67 Ca 0.51 -0.48 -0.22 0.00 0.00 0.00 0.00 51.96 51.78 1udm s ALA 67 Cb -0.10 -1.68 -0.00 0.00 0.00 0.00 0.00 23.12 21.33 1udm s ALA 67 CO 0.36 -1.68 0.70 0.12 0.00 0.00 0.00 175.76 175.27 1udm s PHE 68 N 2.30 3.19 0.10 0.00 2.19 0.35 0.61 117.98 126.72 1udm s PHE 68 Ca 0.09 0.63 0.10 0.00 0.33 0.00 0.00 56.93 58.09 1udm s PHE 68 Cb -0.14 -3.13 -0.04 0.00 -1.31 0.00 0.00 43.02 38.40 1udm s PHE 68 CO -0.33 -0.55 -0.27 0.08 1.83 0.00 0.00 175.22 175.98 1udm s VAL 69 N 2.79 2.20 -0.16 3.12 1.01 -1.01 -0.34 120.40 128.02 1udm s VAL 69 Ca 0.28 -1.64 -0.22 0.00 0.00 0.00 0.00 61.98 60.40 1udm s VAL 69 Cb -0.14 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1udm s VAL 69 CO 0.13 0.16 0.69 -0.60 0.00 0.00 0.00 175.10 175.48 1udm s ARG 70 N -1.81 4.29 -0.32 2.72 3.52 0.10 -2.04 118.95 125.41 1udm s ARG 70 Ca 0.13 0.77 0.00 0.00 -0.13 0.00 0.00 55.73 56.50 1udm s ARG 70 Cb -0.10 -3.54 0.10 0.00 -1.56 0.00 0.00 34.95 29.85 1udm s ARG 70 CO 0.05 -0.18 0.08 -0.06 -0.81 0.00 0.00 175.30 174.38 1udm s PHE 71 N 1.67 2.26 0.27 5.12 0.08 -1.26 -4.86 117.98 121.26 1udm s PHE 71 Ca 0.33 -2.07 -0.21 0.00 0.12 0.00 0.00 56.93 55.09 1udm s PHE 71 Cb -0.16 -2.04 -0.09 0.00 -0.57 0.00 0.00 43.02 40.16 1udm s PHE 71 CO 0.12 -0.90 0.80 -0.08 -0.10 0.00 0.00 175.22 175.07 1udm s THR 72 N 1.43 4.46 -0.29 0.64 -1.32 -1.26 -1.81 115.64 117.49 1udm s THR 72 Ca 0.10 1.43 -0.16 0.00 -1.21 0.00 0.00 61.69 61.85 1udm s THR 72 Cb -0.18 -3.87 0.16 0.00 -1.51 0.00 0.00 72.50 67.10 1udm s THR 72 CO -0.21 0.14 1.02 0.28 -2.21 0.00 0.00 174.62 173.64 1udm s THR 73 N -1.61 -0.17 0.00 5.08 -1.32 -1.19 -4.97 115.64 111.46 1udm s THR 73 Ca 0.47 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.95 1udm s THR 73 Cb -0.16 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.83 1udm s THR 73 CO 0.21 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.23 1udm n GLY 74 N 4.10 0.52 2.56 6.08 0.00 -1.26 -4.33 105.19 112.85 1udm n GLY 74 Ca -0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 1udm n GLY 74 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1udm n ASP 75 N 0.00 -5.33 -3.53 1.61 9.92 -1.26 -4.89 116.55 113.07 1udm n ASP 75 Ca 0.00 0.47 -0.02 0.00 -0.53 0.00 0.00 54.79 54.71 1udm n ASP 75 Cb 0.00 -4.53 0.01 0.00 -0.64 0.00 0.00 41.12 35.96 1udm n ASP 75 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1udm s ALA 76 N -2.72 -1.82 -0.27 2.24 0.00 -1.26 -5.11 121.76 112.82 1udm s ALA 76 Ca 0.00 -0.09 -0.36 0.00 0.00 0.00 0.00 51.96 51.51 1udm s ALA 76 Cb 0.00 0.72 -0.12 0.00 0.00 0.00 0.00 23.12 23.71 1udm s ALA 76 CO 0.00 -1.07 2.02 -1.33 0.00 0.00 0.00 175.76 175.38 1udm n MET 77 N -0.67 1.35 0.00 0.00 2.81 -1.26 -4.58 117.12 114.77 1udm n MET 77 Ca -0.03 0.44 0.00 0.00 -1.81 0.00 0.00 57.70 56.30 1udm n MET 77 Cb 0.60 -2.43 0.00 0.00 -0.71 0.00 0.00 33.22 30.68 1udm n MET 77 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1udm n SER 78 N 8.16 -3.01 -4.31 7.83 2.88 -1.26 -4.91 113.62 119.00 1udm n SER 78 Ca 0.34 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.62 1udm n SER 78 Cb 0.22 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.55 1udm n SER 78 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1udm s LYS 79 N 0.00 1.29 -0.03 -1.46 0.00 -1.26 -4.70 119.74 113.57 1udm s LYS 79 Ca 0.00 -1.16 -0.29 0.00 0.00 0.00 0.00 55.97 54.52 1udm s LYS 79 Cb 0.00 -1.58 0.09 0.00 0.00 0.00 0.00 37.83 36.34 1udm s LYS 79 CO 0.00 0.38 0.79 0.50 0.00 0.00 0.00 175.35 177.02 1udm s ARG 80 N -1.75 0.93 0.25 1.78 3.52 -1.26 -5.05 118.95 117.36 1udm s ARG 80 Ca 0.09 -0.00 -0.15 0.00 -0.13 0.00 0.00 55.73 55.54 1udm s ARG 80 Cb -0.10 0.43 -0.08 0.00 -1.56 0.00 0.00 34.95 33.65 1udm s ARG 80 CO 0.04 -0.34 0.66 -1.12 -0.81 0.00 0.00 175.30 173.73 1udm s SER 81 N -1.68 6.81 -0.06 -2.12 0.01 -1.26 -3.14 113.70 112.26 1udm s SER 81 Ca -0.03 1.20 0.05 0.00 1.31 0.00 0.00 55.95 58.47 1udm s SER 81 Cb -0.00 -2.34 -0.07 0.00 0.21 0.00 0.00 66.02 63.82 1udm s SER 81 CO 0.00 -0.07 0.02 0.29 0.41 0.00 0.00 173.24 173.89 1udm n LYS 82 N 0.13 2.95 -0.39 12.44 5.02 -0.75 -4.96 118.16 132.61 1udm n LYS 82 Ca 0.00 -0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 1udm n LYS 82 Cb 0.52 -1.15 -0.01 0.00 -0.02 0.00 0.00 35.03 34.37 1udm n LYS 82 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1udm n PHE 83 N -2.23 -2.35 -3.65 2.13 3.01 -1.23 0.13 117.46 113.27 1udm n PHE 83 Ca -0.10 0.48 0.02 0.00 1.01 0.00 0.00 57.45 58.87 1udm n PHE 83 Cb 0.69 -0.72 -0.06 0.00 -0.01 0.00 0.00 39.48 39.38 1udm n PHE 83 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1udm s ALA 84 N -1.93 -2.66 -0.92 4.37 0.00 -0.87 -3.19 121.76 116.56 1udm s ALA 84 Ca 0.00 1.92 -0.22 0.00 0.00 0.00 0.00 51.96 53.67 1udm s ALA 84 Cb 0.00 -2.00 0.08 0.00 0.00 0.00 0.00 23.12 21.21 1udm s ALA 84 CO 0.00 -0.28 1.25 -1.17 0.00 0.00 0.00 175.76 175.56 1udm s LEU 85 N 0.89 4.20 -0.60 0.00 2.96 -0.36 -2.39 118.68 123.38 1udm s LEU 85 Ca -0.06 -1.57 -0.28 0.00 -0.22 0.00 0.00 54.13 52.00 1udm s LEU 85 Cb -0.02 -2.48 0.01 0.00 0.50 0.00 0.00 46.19 44.19 1udm s LEU 85 CO -0.10 -1.35 1.45 -0.63 -1.32 0.00 0.00 176.35 174.40 1udm s ILE 86 N 4.01 3.72 -0.61 6.68 1.01 0.20 0.15 121.20 136.35 1udm s ILE 86 Ca 0.37 0.56 -0.24 0.00 0.00 0.00 0.00 60.65 61.35 1udm s ILE 86 Cb -0.04 -4.46 0.05 0.00 0.01 0.00 0.00 42.46 38.02 1udm s ILE 86 CO -0.06 -1.26 0.96 -0.89 0.00 0.00 0.00 174.94 173.69 1udm s THR 87 N 6.39 4.33 0.26 2.92 2.01 0.42 0.15 115.64 132.11 1udm s THR 87 Ca 0.51 0.00 -0.23 0.00 0.31 0.00 0.00 61.69 62.28 1udm s THR 87 Cb -0.11 -4.62 -0.09 0.00 0.01 0.00 0.00 72.50 67.70 1udm s THR 87 CO 0.23 -1.29 0.82 0.86 -0.69 0.00 0.00 174.62 174.54 1udm s TRP 88 N 4.07 3.70 -0.29 4.92 -0.11 0.21 -0.18 118.94 131.26 1udm s TRP 88 Ca 0.27 1.58 0.01 0.00 1.22 0.00 0.00 56.10 59.18 1udm s TRP 88 Cb -0.14 -2.76 0.15 0.00 -1.50 0.00 0.00 33.47 29.21 1udm s TRP 88 CO 0.15 0.31 0.35 0.42 -4.62 0.00 0.00 176.95 173.56 1udm s ILE 89 N -1.51 -0.52 -0.00 5.86 1.01 -0.35 -1.28 121.20 124.40 1udm s ILE 89 Ca 0.45 -0.38 -0.30 0.00 0.00 0.00 0.00 60.65 60.42 1udm s ILE 89 Cb -0.18 -0.99 -0.15 0.00 0.01 0.00 0.00 42.46 41.15 1udm s ILE 89 CO 0.23 -0.37 0.80 0.61 0.00 0.00 0.00 174.94 176.21 1udm n GLY 90 N 5.33 -0.20 0.00 6.18 0.00 -0.74 -4.36 105.19 111.41 1udm n GLY 90 Ca -0.01 0.57 0.07 0.00 0.00 0.00 0.00 46.02 46.65 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 1.13 0.63 -0.01 1.61 0.00 -1.19 -2.41 120.64 120.40 1udm n GLU 91 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.32 1udm n GLU 91 Cb 0.06 -1.37 -0.04 0.00 0.00 0.00 0.00 31.44 30.09 1udm n GLU 91 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1udm n ASP 92 N -0.87 3.77 -4.53 4.31 -0.08 -1.20 -5.04 116.55 112.91 1udm n ASP 92 Ca 0.11 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 52.99 1udm n ASP 92 Cb 0.05 0.99 0.02 0.00 2.34 0.00 0.00 41.12 44.53 1udm n ASP 92 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1udm n VAL 93 N -1.89 2.37 -2.07 5.18 0.24 -1.01 -4.89 118.33 116.26 1udm n VAL 93 Ca -0.04 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.34 61.36 1udm n VAL 93 Cb 0.35 -0.84 -0.01 0.00 -1.47 0.00 0.00 33.84 31.87 1udm n VAL 93 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1udm s SER 94 N -0.99 6.50 0.20 -1.34 0.01 -1.26 -4.84 113.70 111.98 1udm s SER 94 Ca 0.66 2.68 -0.06 0.00 1.31 0.00 0.00 55.95 60.55 1udm s SER 94 Cb -0.52 -2.64 0.33 0.00 0.21 0.00 0.00 66.02 63.39 1udm s SER 94 CO 0.55 -0.72 1.13 0.61 0.41 0.00 0.00 173.24 175.22 1udm n GLY 95 N 0.70 -1.23 0.14 3.44 0.00 -1.26 -0.76 105.19 106.24 1udm n GLY 95 Ca 0.02 0.78 -0.04 0.00 0.00 0.00 0.00 46.02 46.78 1udm n GLY 95 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1udm h LEU 96 N 0.00 -0.67 -0.99 0.99 6.46 -1.97 0.38 115.31 119.50 1udm h LEU 96 Ca 0.34 0.10 0.27 0.00 -0.12 0.00 0.00 57.88 58.47 1udm h LEU 96 Cb 0.53 0.29 -0.18 0.00 -0.73 0.00 0.00 40.66 40.56 1udm h LEU 96 CO -0.74 -0.10 0.02 1.56 -0.62 0.00 0.00 178.44 178.55 1udm h GLN 97 N -0.06 0.00 -0.44 1.25 4.20 -1.30 0.83 115.11 119.60 1udm h GLN 97 Ca 0.04 -0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 1udm h GLN 97 Cb 0.16 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1udm h GLN 97 CO -0.26 0.00 0.03 -0.09 -0.67 0.00 0.00 178.83 177.85 1udm h ARG 98 N 0.01 0.75 0.00 1.46 1.12 -0.75 0.16 114.38 117.13 1udm h ARG 98 Ca 0.60 -0.22 0.00 0.00 -1.11 0.00 0.00 59.98 59.25 1udm h ARG 98 Cb 1.23 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 31.11 1udm h ARG 98 CO -0.93 0.80 0.00 0.00 -3.11 0.00 0.00 179.97 176.73 1udm n ALA 99 N -2.40 1.51 -0.10 2.80 0.00 0.26 -2.34 120.51 120.24 1udm n ALA 99 Ca -0.00 0.10 -0.21 0.00 0.00 0.00 0.00 53.44 53.33 1udm n ALA 99 Cb 0.27 -1.35 -0.12 0.00 0.00 0.00 0.00 19.45 18.25 1udm n ALA 99 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1udm n LYS 100 N -2.17 0.66 -0.19 0.00 4.76 0.53 -3.75 118.16 118.00 1udm n LYS 100 Ca 0.01 0.21 0.01 0.00 -2.87 0.00 0.00 58.31 55.67 1udm n LYS 100 Cb 0.18 -1.57 0.26 0.00 -1.84 0.00 0.00 35.03 32.06 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 -0.16 1.18 -0.11 -0.18 2.02 -0.54 0.20 112.91 115.33 1udm h THR 101 Ca -0.55 -0.33 -0.22 0.00 0.77 0.00 0.00 66.41 66.07 1udm h THR 101 Cb 1.87 0.13 0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1udm h THR 101 CO -0.10 0.18 -0.82 1.23 0.37 0.00 0.00 175.52 176.38 1udm h GLY 102 N 0.97 0.77 1.78 2.16 0.00 -1.67 -3.08 103.07 104.01 1udm h GLY 102 Ca 0.26 -1.13 -0.13 0.00 0.00 0.00 0.00 47.33 46.33 1udm h GLY 102 CO -0.06 1.01 -0.51 -0.84 0.00 0.00 0.00 176.54 176.14 1udm h THR 103 N 0.46 1.35 -0.16 4.70 2.02 -1.55 -2.57 112.91 117.15 1udm h THR 103 Ca -0.06 -1.76 0.00 0.00 0.77 0.00 0.00 66.41 65.36 1udm h THR 103 Cb 1.44 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.70 1udm h THR 103 CO 0.16 0.52 0.00 0.47 0.37 0.00 0.00 175.52 177.04 1udm n ASP 104 N -3.95 0.89 0.08 4.18 8.00 0.02 -3.71 116.55 122.06 1udm n ASP 104 Ca -0.02 -1.98 -0.11 0.00 0.71 0.00 0.00 54.79 53.39 1udm n ASP 104 Cb 0.55 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.51 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 0.98 0.26 -0.04 -1.24 3.11 -1.36 -3.14 116.57 115.14 1udm h LYS 105 Ca 0.00 -0.30 0.01 0.00 -2.81 0.00 0.00 60.65 57.55 1udm h LYS 105 Cb 0.22 0.09 -0.00 0.00 -1.00 0.00 0.00 32.23 31.54 1udm h LYS 105 CO 0.00 1.02 0.10 1.15 -2.81 0.00 0.00 179.45 178.91 1udm h THR 106 N 0.14 0.21 0.00 1.00 2.02 -1.76 -1.87 112.91 112.65 1udm h THR 106 Ca -0.06 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1udm h THR 106 Cb 1.57 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 1udm h THR 106 CO 0.15 0.00 -0.00 -0.07 0.37 0.00 0.00 175.52 175.97 1udm h LEU 107 N 0.00 -0.00 -1.68 2.58 4.07 -1.82 -3.19 115.31 115.27 1udm h LEU 107 Ca 0.02 -0.88 0.01 0.00 0.08 0.00 0.00 57.88 57.11 1udm h LEU 107 Cb 0.22 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.94 1udm h LEU 107 CO -0.00 0.89 0.23 0.58 -1.08 0.00 0.00 178.44 179.06 1udm h VAL 108 N -0.91 1.07 -0.19 1.22 2.07 -1.48 -1.32 116.25 116.70 1udm h VAL 108 Ca -0.00 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 1udm h VAL 108 Cb 0.88 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1udm h VAL 108 CO 0.00 0.08 -0.17 0.50 0.02 0.00 0.00 177.57 178.00 1udm h LYS 109 N 0.43 0.32 -0.38 1.57 3.11 -1.45 -2.29 116.57 117.89 1udm h LYS 109 Ca 0.13 -0.09 0.08 0.00 -2.81 0.00 0.00 60.65 57.96 1udm h LYS 109 Cb 0.00 -0.04 -0.09 0.00 -1.00 0.00 0.00 32.23 31.11 1udm h LYS 109 CO -0.03 0.49 -0.32 0.93 -2.81 0.00 0.00 179.45 177.71 1udm h GLU 110 N 0.30 -0.25 0.00 1.90 4.39 -1.22 -1.00 114.58 118.70 1udm h GLU 110 Ca 0.06 0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.62 1udm h GLU 110 Cb 0.47 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 1udm h GLU 110 CO 0.03 -0.17 -0.75 -0.24 -1.16 0.00 0.00 179.01 176.73 1udm h VAL 111 N -0.26 1.51 -3.19 3.13 3.04 -1.65 -3.40 116.25 115.44 1udm h VAL 111 Ca 0.17 -2.58 -0.74 0.00 -1.01 0.00 0.00 66.70 62.53 1udm h VAL 111 Cb 0.54 2.40 -0.27 0.00 -2.01 0.00 0.00 31.29 31.95 1udm h VAL 111 CO -0.53 0.73 -0.30 -0.69 -1.01 0.00 0.00 177.57 175.77 1udm s VAL 112 N -3.27 4.72 0.00 1.51 1.01 -0.38 -4.80 120.40 119.18 1udm s VAL 112 Ca -0.00 -1.65 0.00 0.00 0.00 0.00 0.00 61.98 60.33 1udm s VAL 112 Cb 0.12 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1udm s VAL 112 CO 0.78 -0.82 0.00 0.00 0.00 0.00 0.00 175.10 175.06 1udm n GLN 113 N 5.07 0.61 0.28 2.72 6.02 -1.23 -4.50 117.38 126.37 1udm n GLN 113 Ca -0.11 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.01 1udm n GLN 113 Cb 0.40 -0.95 0.83 0.00 1.02 0.00 0.00 30.24 31.54 1udm n GLN 113 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 1udm h ASN 114 N 0.00 0.00 -1.15 1.08 -0.73 -1.93 -3.43 115.58 109.42 1udm h ASN 114 Ca 0.00 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.10 1udm h ASN 114 Cb 0.90 0.00 0.04 0.00 0.27 0.00 0.00 38.32 39.53 1udm h ASN 114 CO 0.00 0.01 -0.03 2.22 -0.37 0.00 0.00 177.43 179.25 1udm n PHE 115 N -4.05 -1.87 -0.04 0.67 -1.74 -1.26 -4.85 117.46 104.33 1udm n PHE 115 Ca -0.03 -0.10 -0.03 0.00 -0.56 0.00 0.00 57.45 56.72 1udm n PHE 115 Cb 0.09 -0.34 -0.01 0.00 1.52 0.00 0.00 39.48 40.74 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 -2.90 0.34 -3.51 1.98 0.00 0.35 -4.89 120.51 111.87 1udm n ALA 116 Ca -0.04 -0.46 -0.11 0.00 0.00 0.00 0.00 53.44 52.84 1udm n ALA 116 Cb 0.11 0.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.55 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 -1.74 1.38 -0.18 0.00 2.20 -1.26 -5.04 119.74 115.10 1udm s LYS 117 Ca -0.11 -0.58 -0.21 0.00 -0.36 0.00 0.00 55.97 54.71 1udm s LYS 117 Cb 0.02 0.59 -0.03 0.00 -1.51 0.00 0.00 37.83 36.90 1udm s LYS 117 CO 0.16 -0.61 0.65 -1.83 -0.36 0.00 0.00 175.35 173.36 1udm s GLU 118 N -3.78 4.25 -0.53 4.03 1.03 -1.26 -1.23 118.70 121.21 1udm s GLU 118 Ca 0.03 0.68 -0.16 0.00 0.03 0.00 0.00 54.97 55.55 1udm s GLU 118 Cb -0.02 -3.56 0.13 0.00 -0.80 0.00 0.00 34.13 29.88 1udm s GLU 118 CO -0.09 -0.20 0.49 -0.06 -1.33 0.00 0.00 175.26 174.07 1udm s PHE 119 N 1.77 3.26 -0.68 4.83 0.40 0.39 -4.87 117.98 123.06 1udm s PHE 119 Ca 0.30 -1.29 -0.25 0.00 -0.60 0.00 0.00 56.93 55.09 1udm s PHE 119 Cb -0.16 -3.75 0.04 0.00 0.51 0.00 0.00 43.02 39.66 1udm s PHE 119 CO 0.11 -1.01 1.14 0.54 0.70 0.00 0.00 175.22 176.71 1udm s VAL 120 N 1.59 4.00 0.05 -0.44 0.11 -1.26 0.16 120.40 124.61 1udm s VAL 120 Ca 0.03 0.19 0.04 0.00 -2.93 0.00 0.00 61.98 59.32 1udm s VAL 120 Cb -0.29 -4.80 -0.04 0.00 -1.53 0.00 0.00 36.38 29.72 1udm s VAL 120 CO 0.03 -1.62 -0.04 -0.63 -3.33 0.00 0.00 175.10 169.51 1udm s ILE 121 N 4.98 3.83 -0.00 7.04 1.01 0.74 -4.92 121.20 133.88 1udm s ILE 121 Ca 0.31 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 60.06 1udm s ILE 121 Cb -0.11 -2.75 -0.00 0.00 0.01 0.00 0.00 42.46 39.60 1udm s ILE 121 CO 0.15 0.24 0.00 -1.54 0.00 0.00 0.00 174.94 173.79 1udm n SER 122 N 1.02 4.98 -4.33 3.58 3.41 -1.26 -1.22 113.62 119.81 1udm n SER 122 Ca -0.13 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.15 1udm n SER 122 Cb 0.52 0.95 -0.15 0.00 -0.26 0.00 0.00 64.21 65.27 1udm n SER 122 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1udm s ASP 123 N -2.12 3.94 0.37 4.04 2.15 -1.26 -3.18 116.67 120.61 1udm s ASP 123 Ca -0.00 -0.38 0.12 0.00 0.43 0.00 0.00 52.55 52.72 1udm s ASP 123 Cb 0.00 -1.61 0.92 0.00 -0.30 0.00 0.00 42.92 41.93 1udm s ASP 123 CO 0.00 0.11 1.85 0.03 -0.17 0.00 0.00 175.17 176.99 1udm h ARG 124 N 7.09 0.56 0.00 4.34 3.08 -1.94 0.21 114.38 127.72 1udm h ARG 124 Ca -0.30 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.71 1udm h ARG 124 Cb 1.20 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1udm h ARG 124 CO 0.57 0.37 0.32 0.87 -1.07 0.00 0.00 179.97 181.03 1udm h LYS 125 N 0.58 0.00 0.00 0.04 1.79 -2.01 0.88 116.57 117.85 1udm h LYS 125 Ca 0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.95 1udm h LYS 125 Cb 0.95 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 1udm h LYS 125 CO -0.23 0.00 -1.78 0.39 -1.08 0.00 0.00 179.45 176.75 1udm n GLU 126 N -2.19 0.59 0.13 3.15 1.02 0.73 -4.28 120.64 119.78 1udm n GLU 126 Ca -0.01 -0.16 0.10 0.00 -0.02 0.00 0.00 57.16 57.08 1udm n GLU 126 Cb 0.34 -1.43 0.48 0.00 -0.02 0.00 0.00 31.44 30.81 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 -2.10 0.54 -4.48 -4.62 7.99 0.31 -4.54 117.00 110.10 1udm n LEU 127 Ca -0.03 0.68 -0.45 0.00 -0.01 0.00 0.00 56.01 56.20 1udm n LEU 127 Cb 0.47 -0.67 -0.08 0.00 -0.11 0.00 0.00 43.42 43.03 1udm n LEU 127 CO 0.39 -0.69 1.97 -0.62 -1.51 0.00 0.00 177.39 176.93 1udm n GLU 128 N -2.15 0.75 -0.36 3.23 1.02 -1.21 -4.74 120.64 117.19 1udm n GLU 128 Ca 0.01 0.13 0.31 0.00 -0.02 0.00 0.00 57.16 57.59 1udm n GLU 128 Cb 0.13 -2.43 0.53 0.00 -0.02 0.00 0.00 31.44 29.66 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 8.45 -0.03 -0.14 3.49 2.13 -1.26 0.15 120.64 133.43 1udm n GLU 129 Ca 0.47 1.04 -0.03 0.00 0.66 0.00 0.00 57.16 59.30 1udm n GLU 129 Cb 0.25 -2.01 0.04 0.00 0.27 0.00 0.00 31.44 29.99 1udm n GLU 129 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1udm h ASP 130 N 0.00 -0.18 -0.28 4.31 5.19 -1.93 -0.80 116.42 122.74 1udm h ASP 130 Ca 0.71 0.10 -0.08 0.00 -0.62 0.00 0.00 57.03 57.14 1udm h ASP 130 Cb 2.20 0.18 -0.02 0.00 0.18 0.00 0.00 39.33 41.87 1udm h ASP 130 CO -0.43 -0.05 -0.09 0.15 -3.12 0.00 0.00 179.24 175.69 1udm h PHE 131 N 0.12 0.73 0.01 4.55 3.57 0.11 -3.04 116.94 122.98 1udm h PHE 131 Ca 0.22 -0.12 0.01 0.00 3.53 0.00 0.00 57.97 61.61 1udm h PHE 131 Cb 0.32 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1udm h PHE 131 CO -0.28 0.74 -0.06 0.82 -2.23 0.00 0.00 178.31 177.30 1udm h ILE 132 N 0.62 0.85 0.16 1.41 1.08 -0.94 -2.95 117.51 117.74 1udm h ILE 132 Ca 0.11 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.60 1udm h ILE 132 Cb 0.52 0.85 -0.04 0.00 -3.07 0.00 0.00 36.82 35.08 1udm h ILE 132 CO 0.03 0.00 -0.43 0.03 -0.69 0.00 0.00 178.15 177.09 1udm h ARG 133 N -0.11 -0.66 -1.00 2.37 -0.00 -1.17 -1.35 114.38 112.46 1udm h ARG 133 Ca 0.02 0.05 0.39 0.00 -0.50 0.00 0.00 59.98 59.94 1udm h ARG 133 Cb 0.13 0.15 -0.17 0.00 0.00 0.00 0.00 29.97 30.08 1udm h ARG 133 CO -0.06 -0.44 0.54 0.77 0.00 0.00 0.00 179.97 180.78 1udm h SER 134 N -0.69 0.37 0.70 7.04 0.02 -1.44 0.79 113.55 120.33 1udm h SER 134 Ca 0.01 0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 61.17 1udm h SER 134 Cb 0.70 0.24 0.01 0.00 0.14 0.00 0.00 62.40 63.48 1udm h SER 134 CO -0.22 -0.35 -0.34 -0.33 -1.14 0.00 0.00 176.83 174.45 1udm h GLU 135 N 0.09 -0.91 -1.02 3.45 4.39 -1.10 -3.03 114.58 116.46 1udm h GLU 135 Ca 0.81 0.06 0.26 0.00 0.34 0.00 0.00 59.36 60.83 1udm h GLU 135 Cb 2.07 0.21 -0.12 0.00 -0.10 0.00 0.00 28.75 30.81 1udm h GLU 135 CO -0.73 -0.60 0.62 -0.07 -1.16 0.00 0.00 179.01 177.07 1udm h LEU 136 N -1.25 0.61 -1.23 1.33 3.38 -0.37 0.80 115.31 118.57 1udm h LEU 136 Ca -0.10 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.06 1udm h LEU 136 Cb 0.72 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.45 1udm h LEU 136 CO 0.16 0.09 0.55 0.50 0.09 0.00 0.00 178.44 179.82 1udm h LYS 137 N 0.52 0.90 -0.22 1.13 3.64 -0.97 -1.86 116.57 119.70 1udm h LYS 137 Ca 0.64 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.97 1udm h LYS 137 Cb 1.33 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1udm h LYS 137 CO -0.44 0.59 0.00 0.36 -2.27 0.00 0.00 179.45 177.70 1udm n LYS 138 N -4.48 2.67 -1.17 1.90 -0.00 0.13 -5.05 118.16 112.16 1udm n LYS 138 Ca 0.12 -2.80 -0.36 0.00 -0.00 0.00 0.00 58.31 55.28 1udm n LYS 138 Cb 0.21 -1.79 0.07 0.00 -0.00 0.00 0.00 35.03 33.52 1udm n LYS 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1udm n ALA 139 N -0.65 -2.06 -1.76 0.58 0.00 0.23 -4.88 120.51 111.98 1udm n ALA 139 Ca 0.20 -0.31 -0.38 0.00 0.00 0.00 0.00 53.44 52.95 1udm n ALA 139 Cb 0.85 -1.77 0.02 0.00 0.00 0.00 0.00 19.45 18.55 1udm n ALA 139 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1udm s GLY 140 N -1.49 2.87 0.00 0.00 0.00 -1.26 -4.67 107.32 102.77 1udm s GLY 140 Ca 0.62 1.25 0.00 0.00 0.00 0.00 0.00 44.72 46.58 1udm s GLY 140 CO 0.62 1.77 0.00 0.61 0.00 0.00 0.00 173.10 176.10 1udm n GLY 141 N 0.63 0.76 3.11 0.20 0.00 -1.26 -5.10 105.19 103.54 1udm n GLY 141 Ca 0.08 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 1udm n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm s ALA 142 N -0.49 0.09 0.57 4.61 0.00 -1.26 -5.16 121.76 120.13 1udm s ALA 142 Ca 0.00 -0.75 -0.17 0.00 0.00 0.00 0.00 51.96 51.05 1udm s ALA 142 Cb 0.00 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 1udm s ALA 142 CO 0.00 -0.35 1.06 -0.80 0.00 0.00 0.00 175.76 175.67 1udm s ASN 143 N -2.40 5.83 0.35 0.00 0.02 -1.26 -5.07 114.94 112.41 1udm s ASN 143 Ca -0.01 1.88 0.04 0.00 -1.02 0.00 0.00 52.86 53.74 1udm s ASN 143 Cb 0.02 -2.54 -0.06 0.00 0.02 0.00 0.00 41.25 38.69 1udm s ASN 143 CO -0.07 -1.13 0.06 -0.47 0.02 0.00 0.00 177.10 175.51 1udm s TYR 144 N -2.31 1.99 -0.04 2.20 5.04 -1.26 -5.07 117.35 117.90 1udm s TYR 144 Ca 0.65 -0.97 -0.21 0.00 -2.44 0.00 0.00 57.07 54.10 1udm s TYR 144 Cb -0.17 -1.33 -0.32 0.00 0.35 0.00 0.00 41.96 40.50 1udm s TYR 144 CO 0.33 0.02 0.87 0.38 -1.34 0.00 0.00 175.55 175.82 1udm h ASP 145 N 2.01 0.51 -3.11 4.32 2.03 -2.06 -3.43 116.42 116.69 1udm h ASP 145 Ca -0.41 -0.94 -0.56 0.00 -0.73 0.00 0.00 57.03 54.39 1udm h ASP 145 Cb 1.25 -0.16 -0.05 0.00 -0.83 0.00 0.00 39.33 39.53 1udm h ASP 145 CO 0.69 1.46 1.10 0.00 -1.03 0.00 0.00 179.24 181.46 1udm s ALA 146 N -2.45 2.95 -0.05 4.15 0.00 -1.26 -4.78 121.76 120.32 1udm s ALA 146 Ca -0.14 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1udm s ALA 146 Cb 0.02 -3.99 -0.03 0.00 0.00 0.00 0.00 23.12 19.11 1udm s ALA 146 CO 0.84 -2.58 -0.04 0.00 0.00 0.00 0.00 175.76 173.98 1udm n GLN 147 N 8.27 0.19 -4.07 0.00 10.64 -1.26 -5.03 117.38 126.12 1udm n GLN 147 Ca 0.16 0.03 -0.18 0.00 -1.83 0.00 0.00 57.00 55.17 1udm n GLN 147 Cb 0.48 -1.09 -0.16 0.00 -0.86 0.00 0.00 30.24 28.61 1udm n GLN 147 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 1udm s SER 148 N -4.43 0.68 0.00 2.61 0.01 -1.26 -5.22 113.70 106.09 1udm s SER 148 Ca -0.06 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.12 1udm s SER 148 Cb 0.02 -0.34 0.00 0.00 0.21 0.00 0.00 66.02 65.91 1udm s SER 148 CO 0.11 -0.07 0.00 -1.84 0.41 0.00 0.00 173.24 171.85