#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1stm s ALA 18 N 0.00 2.19 -0.22 0.00 0.00 -1.26 -5.11 121.76 117.36 1stm s ALA 18 Ca 0.00 -0.98 -0.14 0.00 0.00 0.00 0.00 51.96 50.84 1stm s ALA 18 Cb 0.00 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 1stm s ALA 18 CO 0.00 0.31 0.32 0.00 0.00 0.00 0.00 175.76 176.39 1stm s ALA 19 N 0.25 3.58 0.15 0.00 0.00 -1.26 -5.05 121.76 119.43 1stm s ALA 19 Ca -0.16 -0.67 -0.24 0.00 0.00 0.00 0.00 51.96 50.89 1stm s ALA 19 Cb -0.17 -2.54 -0.08 0.00 0.00 0.00 0.00 23.12 20.33 1stm s ALA 19 CO 0.08 -0.29 0.74 0.95 0.00 0.00 0.00 175.76 177.24 1stm s THR 20 N 1.28 4.44 0.28 0.00 -4.23 -1.26 -4.52 115.64 111.63 1stm s THR 20 Ca 0.15 1.60 0.04 0.00 -1.18 0.00 0.00 61.69 62.30 1stm s THR 20 Cb -0.14 -4.08 -0.03 0.00 1.34 0.00 0.00 72.50 69.59 1stm s THR 20 CO 0.07 0.51 0.42 -0.44 -0.54 0.00 0.00 174.62 174.64 1stm s SER 21 N -1.17 6.25 -0.13 3.99 0.01 -0.89 -4.90 113.70 116.86 1stm s SER 21 Ca 0.35 0.10 -0.01 0.00 1.31 0.00 0.00 55.95 57.70 1stm s SER 21 Cb -0.22 -1.79 0.04 0.00 0.21 0.00 0.00 66.02 64.26 1stm s SER 21 CO 0.25 -0.18 -0.03 -0.22 0.41 0.00 0.00 173.24 173.47 1stm s LEU 22 N -4.08 1.16 -0.01 2.44 2.96 -1.26 -1.07 118.68 118.83 1stm s LEU 22 Ca 0.37 -0.46 0.06 0.00 -0.22 0.00 0.00 54.13 53.89 1stm s LEU 22 Cb -0.09 -0.71 -0.02 0.00 0.50 0.00 0.00 46.19 45.87 1stm s LEU 22 CO 0.31 -0.20 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.24 1stm s VAL 23 N 1.78 1.63 -0.17 1.68 1.01 -0.17 -4.97 120.40 121.20 1stm s VAL 23 Ca 0.02 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 1stm s VAL 23 Cb -0.14 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1stm s VAL 23 CO -0.07 0.41 -0.01 -0.31 0.00 0.00 0.00 175.10 175.13 1stm s TYR 24 N -0.54 3.07 -0.02 5.22 1.51 -1.26 -0.47 117.35 124.87 1stm s TYR 24 Ca 0.08 -0.26 0.04 0.00 -1.01 0.00 0.00 57.07 55.92 1stm s TYR 24 Cb -0.08 -2.01 -0.01 0.00 -0.11 0.00 0.00 41.96 39.75 1stm s TYR 24 CO -0.00 -0.04 -0.14 -0.51 -1.11 0.00 0.00 175.55 173.74 1stm s ASP 25 N 0.51 1.70 0.08 2.29 1.01 -0.43 -4.97 116.67 116.86 1stm s ASP 25 Ca -0.01 -0.27 0.08 0.00 0.71 0.00 0.00 52.55 53.06 1stm s ASP 25 Cb -0.14 -0.28 -0.03 0.00 1.01 0.00 0.00 42.92 43.48 1stm s ASP 25 CO 0.02 0.16 -0.20 0.28 0.21 0.00 0.00 175.17 175.64 1stm s THR 26 N -0.20 1.66 0.03 -1.27 -1.32 -1.26 -0.76 115.64 112.53 1stm s THR 26 Ca 0.03 -1.39 -0.04 0.00 -1.21 0.00 0.00 61.69 59.07 1stm s THR 26 Cb -0.07 -1.48 -0.02 0.00 -1.51 0.00 0.00 72.50 69.42 1stm s THR 26 CO 0.00 0.03 0.06 0.00 -2.21 0.00 0.00 174.62 172.50 1stm s TYR 28 N -2.50 1.08 0.22 0.00 -0.85 -1.26 -0.45 117.35 113.59 1stm s TYR 28 Ca -0.06 -0.84 -0.20 0.00 -0.52 0.00 0.00 57.07 55.45 1stm s TYR 28 Cb -0.02 -0.58 0.03 0.00 0.38 0.00 0.00 41.96 41.77 1stm s TYR 28 CO -0.04 -0.03 0.62 0.14 -1.52 0.00 0.00 175.55 174.72 1stm s VAL 29 N -3.47 0.01 -0.18 -3.49 -7.23 -0.41 -4.99 120.40 100.63 1stm s VAL 29 Ca 0.14 -0.70 -0.05 0.00 -1.81 0.00 0.00 61.98 59.57 1stm s VAL 29 Cb 0.04 -1.63 -0.03 0.00 0.56 0.00 0.00 36.38 35.32 1stm s VAL 29 CO -0.02 -0.03 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.84 1stm s THR 30 N -3.87 4.00 0.44 5.32 2.01 -1.26 -0.97 115.64 121.32 1stm s THR 30 Ca 0.08 -0.30 -0.19 0.00 0.31 0.00 0.00 61.69 61.59 1stm s THR 30 Cb -0.03 -2.79 -0.10 0.00 0.01 0.00 0.00 72.50 69.59 1stm s THR 30 CO -0.01 0.45 0.93 -0.76 -0.69 0.00 0.00 174.62 174.55 1stm s LEU 31 N 0.72 3.87 -0.01 4.42 1.43 -1.26 -5.02 118.68 122.82 1stm s LEU 31 Ca -0.00 1.60 0.08 0.00 -1.03 0.00 0.00 54.13 54.78 1stm s LEU 31 Cb -0.14 -4.47 -0.02 0.00 0.03 0.00 0.00 46.19 41.58 1stm s LEU 31 CO 0.02 -0.40 -0.24 -0.89 0.23 0.00 0.00 176.35 175.07 1stm s THR 32 N -2.28 2.25 0.26 5.49 2.01 -1.26 -4.88 115.64 117.23 1stm s THR 32 Ca 0.60 -1.13 -0.07 0.00 0.31 0.00 0.00 61.69 61.40 1stm s THR 32 Cb -0.09 -1.82 0.36 0.00 0.01 0.00 0.00 72.50 70.95 1stm s THR 32 CO 0.18 0.52 1.60 1.05 -0.69 0.00 0.00 174.62 177.28 1stm h GLU 33 N 5.26 0.03 -1.35 4.92 9.09 -1.92 -3.00 114.58 127.61 1stm h GLU 33 Ca -0.44 -0.00 -0.52 0.00 0.05 0.00 0.00 59.36 58.45 1stm h GLU 33 Cb 1.13 -0.01 -0.41 0.00 -1.65 0.00 0.00 28.75 27.81 1stm h GLU 33 CO 0.47 0.02 -0.88 0.54 0.05 0.00 0.00 179.01 179.21 1stm n ARG 34 N -5.49 2.73 -4.05 1.06 1.74 -1.26 -3.84 116.66 107.56 1stm n ARG 34 Ca 0.15 -4.12 -0.07 0.00 -0.77 0.00 0.00 57.85 53.03 1stm n ARG 34 Cb 0.50 -1.94 -0.10 0.00 -1.02 0.00 0.00 32.46 29.90 1stm n ARG 34 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1stm s ALA 35 N -3.42 0.37 -0.08 7.54 0.00 -1.13 -5.01 121.76 120.03 1stm s ALA 35 Ca 0.42 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 51.37 1stm s ALA 35 Cb 0.42 0.28 -0.01 0.00 0.00 0.00 0.00 23.12 23.81 1stm s ALA 35 CO -0.12 -0.36 -0.24 -0.08 0.00 0.00 0.00 175.76 174.96 1stm s THR 36 N -3.63 2.11 -0.20 0.00 -1.32 -1.26 -1.38 115.64 109.96 1stm s THR 36 Ca 0.04 -1.03 -0.09 0.00 -1.21 0.00 0.00 61.69 59.40 1stm s THR 36 Cb 0.06 -1.78 -0.04 0.00 -1.51 0.00 0.00 72.50 69.22 1stm s THR 36 CO -0.09 0.57 0.10 0.42 -2.21 0.00 0.00 174.62 173.40 1stm s THR 37 N 0.03 5.04 -0.10 5.08 -4.23 -0.08 -4.92 115.64 116.47 1stm s THR 37 Ca -0.09 0.06 -0.16 0.00 -1.18 0.00 0.00 61.69 60.32 1stm s THR 37 Cb -0.15 -3.30 -0.05 0.00 1.34 0.00 0.00 72.50 70.34 1stm s THR 37 CO 0.06 0.43 0.39 -0.44 -0.54 0.00 0.00 174.62 174.52 1stm s SER 38 N 0.51 6.63 -0.38 3.99 0.01 -1.26 -0.82 113.70 122.37 1stm s SER 38 Ca 0.05 0.74 -0.10 0.00 1.31 0.00 0.00 55.95 57.96 1stm s SER 38 Cb -0.12 -2.24 0.04 0.00 0.21 0.00 0.00 66.02 63.91 1stm s SER 38 CO 0.00 0.13 0.20 -0.36 0.41 0.00 0.00 173.24 173.62 1stm s PHE 39 N 0.09 3.27 0.54 2.43 0.40 0.11 -5.01 117.98 119.80 1stm s PHE 39 Ca 0.22 -1.18 0.09 0.00 -0.60 0.00 0.00 56.93 55.46 1stm s PHE 39 Cb -0.15 -2.53 0.07 0.00 0.51 0.00 0.00 43.02 40.93 1stm s PHE 39 CO 0.09 -0.71 0.74 -0.65 0.70 0.00 0.00 175.22 175.38 1stm s GLN 40 N 1.50 2.42 0.26 0.44 -0.21 -1.26 -1.00 119.66 121.80 1stm s GLN 40 Ca 0.01 -1.56 -0.02 0.00 0.02 0.00 0.00 55.36 53.81 1stm s GLN 40 Cb -0.20 -2.66 0.50 0.00 1.00 0.00 0.00 33.01 31.65 1stm s GLN 40 CO 0.05 -0.73 1.78 -0.09 -2.12 0.00 0.00 175.29 174.18 1stm h ARG 41 N 0.29 0.66 0.00 2.91 2.43 -1.14 -0.54 114.38 119.00 1stm h ARG 41 Ca -0.32 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1stm h ARG 41 Cb 1.29 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1stm h ARG 41 CO 0.42 0.44 0.00 0.00 -1.51 0.00 0.00 179.97 179.32 1stm n GLN 42 N -4.83 0.11 0.25 0.20 10.64 -0.41 -2.47 117.38 120.88 1stm n GLN 42 Ca 0.16 0.36 0.15 0.00 -1.83 0.00 0.00 57.00 55.84 1stm n GLN 42 Cb 0.39 -1.72 0.46 0.00 -0.86 0.00 0.00 30.24 28.52 1stm n GLN 42 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.06 176.00 1stm h SER 43 N 0.00 0.00 -3.62 2.61 0.02 -1.37 -3.41 113.55 107.78 1stm h SER 43 Ca 0.00 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.26 1stm h SER 43 Cb 0.31 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 62.59 1stm h SER 43 CO 0.00 0.00 -0.57 -0.36 -1.14 0.00 0.00 176.83 174.76 1stm s PHE 44 N -3.47 3.21 0.24 3.45 0.08 -1.03 -4.66 117.98 115.80 1stm s PHE 44 Ca 0.04 -0.98 -0.13 0.00 0.12 0.00 0.00 56.93 55.97 1stm s PHE 44 Cb 0.07 -2.34 0.32 0.00 -0.57 0.00 0.00 43.02 40.50 1stm s PHE 44 CO 0.60 -0.61 1.58 -1.35 -0.10 0.00 0.00 175.22 175.34 1stm h PRO 45 N 8.32 -0.02 -0.11 0.24 0.11 -1.85 0.11 132.00 138.79 1stm h PRO 45 Ca -0.28 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.80 1stm h PRO 45 Cb 1.11 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1stm h PRO 45 CO 0.63 -0.02 -0.07 1.15 -0.21 0.00 0.00 178.00 179.48 1stm h THR 46 N -0.02 1.33 -0.63 -1.15 2.02 -1.94 -2.82 112.91 109.69 1stm h THR 46 Ca 0.38 -1.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 1stm h THR 46 Cb 0.62 1.83 -0.03 0.00 -1.74 0.00 0.00 68.15 68.83 1stm h THR 46 CO -0.88 0.32 0.33 -0.07 0.37 0.00 0.00 175.52 175.59 1stm h LEU 47 N -0.12 0.79 -0.47 2.58 3.38 -1.67 -2.06 115.31 117.73 1stm h LEU 47 Ca 0.02 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1stm h LEU 47 Cb 0.54 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1stm h LEU 47 CO 0.02 0.64 0.30 0.50 0.09 0.00 0.00 178.44 179.99 1stm h LYS 48 N 0.89 0.58 -0.44 1.13 3.64 -0.72 -3.28 116.57 118.37 1stm h LYS 48 Ca 0.22 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1stm h LYS 48 Cb 0.04 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1stm h LYS 48 CO -0.03 0.39 0.00 0.41 -2.27 0.00 0.00 179.45 177.94 1stm n GLY 49 N -1.23 2.34 0.04 5.01 0.00 -1.07 -4.63 105.19 105.65 1stm n GLY 49 Ca 0.02 -0.53 0.12 0.00 0.00 0.00 0.00 46.02 45.63 1stm n GLY 49 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1stm n MET 50 N 0.96 0.08 0.00 1.61 0.00 -0.80 -5.02 117.12 113.96 1stm n MET 50 Ca 0.16 0.17 0.00 0.00 0.00 0.00 0.00 57.70 58.02 1stm n MET 50 Cb 0.49 -1.62 0.00 0.00 0.00 0.00 0.00 33.22 32.09 1stm n MET 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1stm n GLY 51 N 0.89 -1.02 3.56 3.17 0.00 -1.26 -4.65 105.19 105.87 1stm n GLY 51 Ca 0.05 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 1stm n GLY 51 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1stm n ASP 52 N 0.27 4.96 -3.72 1.61 -0.08 -1.26 -4.81 116.55 113.52 1stm n ASP 52 Ca 0.00 -2.93 -0.13 0.00 -1.51 0.00 0.00 54.79 50.22 1stm n ASP 52 Cb 0.00 -1.73 -0.14 0.00 2.34 0.00 0.00 41.12 41.60 1stm n ASP 52 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1stm s ARG 53 N 3.92 0.16 0.67 -0.67 1.70 -1.23 -0.77 118.95 122.74 1stm s ARG 53 Ca 0.53 0.53 -0.16 0.00 -0.47 0.00 0.00 55.73 56.16 1stm s ARG 53 Cb 0.03 -0.13 0.01 0.00 -0.57 0.00 0.00 34.95 34.29 1stm s ARG 53 CO 0.07 -0.19 1.17 0.00 -1.08 0.00 0.00 175.30 175.27 1stm s ALA 54 N 1.50 2.33 0.06 7.88 0.00 -1.26 -4.17 121.76 128.10 1stm s ALA 54 Ca -0.07 0.80 -0.10 0.00 0.00 0.00 0.00 51.96 52.59 1stm s ALA 54 Cb -0.11 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.60 1stm s ALA 54 CO -0.08 -1.51 0.22 -0.59 0.00 0.00 0.00 175.76 173.80 1stm s PHE 55 N -2.01 0.06 0.02 0.00 -0.71 -0.54 -0.87 117.98 113.93 1stm s PHE 55 Ca 0.73 -0.36 0.03 0.00 -1.04 0.00 0.00 56.93 56.29 1stm s PHE 55 Cb -0.26 -0.01 -0.01 0.00 -1.21 0.00 0.00 43.02 41.52 1stm s PHE 55 CO 0.41 -0.50 -0.09 -1.14 -1.34 0.00 0.00 175.22 172.56 1stm s GLN 56 N -3.13 0.68 -0.10 1.99 0.74 -0.08 -0.35 119.66 119.41 1stm s GLN 56 Ca -0.01 -0.49 -0.30 0.00 0.05 0.00 0.00 55.36 54.61 1stm s GLN 56 Cb 0.01 -0.62 -0.02 0.00 1.10 0.00 0.00 33.01 33.49 1stm s GLN 56 CO -0.07 0.16 1.04 0.08 -0.55 0.00 0.00 175.29 175.95 1stm s VAL 57 N -0.60 4.68 -0.24 1.34 1.01 -1.26 -1.11 120.40 124.23 1stm s VAL 57 Ca -0.00 1.96 -0.14 0.00 0.00 0.00 0.00 61.98 63.80 1stm s VAL 57 Cb -0.06 -4.26 -0.17 0.00 0.00 0.00 0.00 36.38 31.90 1stm s VAL 57 CO 0.00 -0.00 -0.07 0.52 0.00 0.00 0.00 175.10 175.55 1stm n VAL 58 N 4.58 1.56 -3.51 2.92 0.31 0.23 -4.86 118.33 119.55 1stm n VAL 58 Ca 0.09 -0.32 -0.09 0.00 -0.01 0.00 0.00 64.34 64.01 1stm n VAL 58 Cb 0.48 -1.86 -0.02 0.00 -0.91 0.00 0.00 33.84 31.53 1stm n VAL 58 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1stm s ALA 59 N -2.47 -1.75 -0.01 3.52 0.00 -1.16 -4.29 121.76 115.59 1stm s ALA 59 Ca -0.33 0.81 0.04 0.00 0.00 0.00 0.00 51.96 52.48 1stm s ALA 59 Cb 0.10 0.54 -0.01 0.00 0.00 0.00 0.00 23.12 23.75 1stm s ALA 59 CO 0.57 -0.74 -0.12 -0.06 0.00 0.00 0.00 175.76 175.41 1stm s PHE 60 N -3.28 1.07 -0.16 0.00 0.08 -0.24 -0.81 117.98 114.64 1stm s PHE 60 Ca 0.05 -0.21 0.01 0.00 0.12 0.00 0.00 56.93 56.89 1stm s PHE 60 Cb -0.01 -0.70 0.00 0.00 -0.57 0.00 0.00 43.02 41.75 1stm s PHE 60 CO -0.09 -0.03 -0.17 0.99 -0.10 0.00 0.00 175.22 175.83 1stm s THR 61 N -0.23 2.48 -0.14 0.64 2.01 -0.20 -0.59 115.64 119.61 1stm s THR 61 Ca 0.04 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.22 1stm s THR 61 Cb -0.05 -2.04 -0.01 0.00 0.01 0.00 0.00 72.50 70.41 1stm s THR 61 CO -0.00 0.52 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.67 1stm s ILE 62 N 0.96 2.78 -0.09 1.82 1.09 0.37 -1.15 121.20 126.97 1stm s ILE 62 Ca -0.03 -0.75 0.03 0.00 -1.10 0.00 0.00 60.65 58.80 1stm s ILE 62 Cb -0.15 -2.16 0.01 0.00 -1.06 0.00 0.00 42.46 39.10 1stm s ILE 62 CO -0.03 0.52 -0.17 -1.58 -0.10 0.00 0.00 174.94 173.58 1stm s GLN 63 N 0.60 2.34 0.03 2.79 0.74 -0.08 -0.78 119.66 125.30 1stm s GLN 63 Ca -0.09 -0.62 -0.02 0.00 0.05 0.00 0.00 55.36 54.68 1stm s GLN 63 Cb -0.16 -1.88 -0.02 0.00 1.10 0.00 0.00 33.01 32.05 1stm s GLN 63 CO 0.03 0.04 0.02 0.20 -0.55 0.00 0.00 175.29 175.03 1stm s GLY 64 N 0.67 0.24 0.04 2.59 0.00 -0.87 0.06 107.32 110.06 1stm s GLY 64 Ca -0.13 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 43.95 1stm s GLY 64 CO 0.03 -0.74 -0.04 0.14 0.00 0.00 0.00 173.10 172.49 1stm s VAL 65 N -2.15 0.28 0.01 1.40 1.01 -0.84 -2.11 120.40 118.00 1stm s VAL 65 Ca -0.09 -1.25 -0.08 0.00 0.00 0.00 0.00 61.98 60.56 1stm s VAL 65 Cb -0.05 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.59 1stm s VAL 65 CO -0.03 -0.63 0.16 -0.55 0.00 0.00 0.00 175.10 174.05 1stm s SER 66 N -1.97 0.02 0.34 3.32 0.15 -0.09 -1.82 113.70 113.66 1stm s SER 66 Ca -0.07 -0.24 0.25 0.00 0.70 0.00 0.00 55.95 56.58 1stm s SER 66 Cb -0.04 0.23 0.58 0.00 -1.71 0.00 0.00 66.02 65.08 1stm s SER 66 CO -0.03 -0.43 1.69 0.00 1.20 0.00 0.00 173.24 175.68 1stm h ALA 67 N 4.02 1.00 -2.91 5.45 0.00 -1.28 -3.20 119.26 122.34 1stm h ALA 67 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1stm h ALA 67 Cb 1.19 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 1stm h ALA 67 CO 0.43 0.00 0.05 0.00 0.00 0.00 0.00 179.25 179.73 1stm s ALA 68 N -3.18 -0.75 0.05 0.00 0.00 -1.26 -4.90 121.76 111.71 1stm s ALA 68 Ca 0.08 -0.55 -0.37 0.00 0.00 0.00 0.00 51.96 51.12 1stm s ALA 68 Cb 0.08 0.95 -0.17 0.00 0.00 0.00 0.00 23.12 23.98 1stm s ALA 68 CO 0.63 -0.93 1.35 -2.30 0.00 0.00 0.00 175.76 174.51 1stm n PRO 69 N -0.41 1.04 -3.55 0.00 -0.02 -1.26 -4.81 135.00 125.98 1stm n PRO 69 Ca -0.04 0.37 -0.14 0.00 -2.02 0.00 0.00 63.50 61.67 1stm n PRO 69 Cb 0.61 -2.01 -0.05 0.00 -0.02 0.00 0.00 33.50 32.03 1stm n PRO 69 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1stm s LEU 70 N 0.67 -0.24 0.19 2.45 2.96 -1.25 -4.75 118.68 118.71 1stm s LEU 70 Ca 0.86 0.26 0.07 0.00 -0.22 0.00 0.00 54.13 55.10 1stm s LEU 70 Cb -1.00 2.25 -0.05 0.00 0.50 0.00 0.00 46.19 47.90 1stm s LEU 70 CO 0.49 -0.73 -0.14 -0.04 -1.32 0.00 0.00 176.35 174.62 1stm s MET 71 N -2.35 1.26 0.12 1.98 -1.94 -0.62 -0.50 119.30 117.25 1stm s MET 71 Ca -0.06 -1.53 -0.08 0.00 -1.71 0.00 0.00 55.69 52.31 1stm s MET 71 Cb -0.01 -1.02 -0.01 0.00 2.01 0.00 0.00 34.83 35.80 1stm s MET 71 CO -0.01 0.17 0.21 1.52 -0.01 0.00 0.00 175.02 176.90 1stm s TYR 72 N -2.95 0.27 -0.07 -0.03 -0.85 -0.59 -1.30 117.35 111.84 1stm s TYR 72 Ca 0.20 -0.68 -0.02 0.00 -0.52 0.00 0.00 57.07 56.05 1stm s TYR 72 Cb -0.01 -0.08 0.04 0.00 0.38 0.00 0.00 41.96 42.29 1stm s TYR 72 CO 0.05 -0.60 0.06 1.21 -1.52 0.00 0.00 175.55 174.75 1stm s ASN 73 N -2.91 1.45 -0.22 -0.18 2.47 -0.96 -0.24 114.94 114.36 1stm s ASN 73 Ca 0.10 -0.09 -0.14 0.00 0.42 0.00 0.00 52.86 53.16 1stm s ASN 73 Cb 0.04 -0.21 -0.04 0.00 -1.45 0.00 0.00 41.25 39.59 1stm s ASN 73 CO -0.07 -0.26 0.29 0.00 -3.72 0.00 0.00 177.10 173.35 1stm s ALA 74 N 2.13 3.58 -0.10 1.71 0.00 -1.26 -1.19 121.76 126.64 1stm s ALA 74 Ca 0.04 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.36 1stm s ALA 74 Cb -0.13 -2.49 0.00 0.00 0.00 0.00 0.00 23.12 20.50 1stm s ALA 74 CO -0.04 -0.25 -0.21 1.03 0.00 0.00 0.00 175.76 176.29 1stm s ARG 75 N 1.18 2.68 0.02 0.00 0.52 0.70 -1.03 118.95 123.01 1stm s ARG 75 Ca 0.14 -0.75 -0.11 0.00 -0.52 0.00 0.00 55.73 54.49 1stm s ARG 75 Cb -0.14 -2.07 -0.05 0.00 0.52 0.00 0.00 34.95 33.20 1stm s ARG 75 CO 0.06 0.11 0.37 -1.17 0.02 0.00 0.00 175.30 174.69 1stm s LEU 76 N 0.49 4.41 0.09 2.53 0.20 0.28 -0.78 118.68 125.89 1stm s LEU 76 Ca -0.16 0.81 0.09 0.00 0.69 0.00 0.00 54.13 55.55 1stm s LEU 76 Cb -0.17 -2.71 -0.04 0.00 -0.43 0.00 0.00 46.19 42.84 1stm s LEU 76 CO 0.06 0.26 -0.20 -0.31 -0.29 0.00 0.00 176.35 175.88 1stm s TYR 77 N -1.23 2.51 0.42 5.38 1.51 -0.30 -1.30 117.35 124.35 1stm s TYR 77 Ca 0.27 -0.28 -0.02 0.00 -1.01 0.00 0.00 57.07 56.02 1stm s TYR 77 Cb -0.15 -1.38 -0.03 0.00 -0.11 0.00 0.00 41.96 40.29 1stm s TYR 77 CO 0.15 0.32 0.68 -0.80 -1.11 0.00 0.00 175.55 174.78 1stm s ASN 78 N -1.82 6.23 0.25 2.29 0.02 -1.26 -4.88 114.94 115.77 1stm s ASN 78 Ca 0.16 0.68 -0.31 0.00 -1.02 0.00 0.00 52.86 52.37 1stm s ASN 78 Cb -0.10 -2.09 -0.12 0.00 0.02 0.00 0.00 41.25 38.96 1stm s ASN 78 CO 0.07 -0.48 1.65 -2.16 0.02 0.00 0.00 177.10 176.21 1stm s PRO 79 N -4.55 4.12 0.00 -0.60 0.04 -1.26 -2.85 135.00 129.90 1stm s PRO 79 Ca 0.44 2.59 0.00 0.00 0.04 0.00 0.00 61.00 64.07 1stm s PRO 79 Cb -0.10 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.39 1stm s PRO 79 CO 0.41 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 177.17 1stm n GLY 80 N 3.01 2.46 3.79 0.56 0.00 -1.26 -5.02 105.19 108.73 1stm n GLY 80 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1stm n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1stm s ASP 81 N -3.71 6.31 0.00 1.61 1.01 -1.13 -4.97 116.67 115.79 1stm s ASP 81 Ca 0.00 1.95 0.25 0.00 0.71 0.00 0.00 52.55 55.46 1stm s ASP 81 Cb 0.00 -2.56 0.49 0.00 1.01 0.00 0.00 42.92 41.86 1stm s ASP 81 CO 0.00 -0.80 1.40 0.35 0.21 0.00 0.00 175.17 176.33 1stm n THR 82 N -0.95 0.00 -3.89 -1.27 -2.24 -1.26 -4.91 114.28 99.76 1stm n THR 82 Ca 0.09 -0.22 -0.09 0.00 -2.27 0.00 0.00 64.05 61.56 1stm n THR 82 Cb 0.52 0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 69.48 1stm n THR 82 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1stm s ASP 83 N -2.39 -0.00 0.55 3.42 2.15 -1.26 -5.17 116.67 113.96 1stm s ASP 83 Ca 0.24 -0.74 -0.12 0.00 0.43 0.00 0.00 52.55 52.36 1stm s ASP 83 Cb 0.19 0.44 -0.05 0.00 -0.30 0.00 0.00 42.92 43.20 1stm s ASP 83 CO 0.50 -0.88 0.97 -0.94 -0.17 0.00 0.00 175.17 174.64 1stm s SER 84 N -2.92 6.38 0.00 -0.34 1.04 -1.26 -4.75 113.70 111.85 1stm s SER 84 Ca 0.13 1.39 0.08 0.00 0.48 0.00 0.00 55.95 58.03 1stm s SER 84 Cb 0.03 -2.45 -0.07 0.00 0.10 0.00 0.00 66.02 63.64 1stm s SER 84 CO -0.03 -0.71 0.40 1.33 0.98 0.00 0.00 173.24 175.21 1stm n VAL 85 N -2.20 0.00 -3.87 5.02 0.24 -0.42 -4.99 118.33 112.11 1stm n VAL 85 Ca 0.05 -0.33 -0.10 0.00 -2.04 0.00 0.00 64.34 61.92 1stm n VAL 85 Cb 0.54 1.02 -0.09 0.00 -1.47 0.00 0.00 33.84 33.85 1stm n VAL 85 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1stm s HIS 86 N -1.63 0.11 0.12 6.34 5.65 -1.17 -4.98 115.29 119.72 1stm s HIS 86 Ca 0.04 -0.36 -0.22 0.00 0.25 0.00 0.00 55.06 54.76 1stm s HIS 86 Cb 0.06 -0.07 0.06 0.00 -1.18 0.00 0.00 32.58 31.46 1stm s HIS 86 CO 0.30 -0.42 0.55 0.00 -0.65 0.00 0.00 174.74 174.53 1stm s ALA 87 N -2.66 -1.43 -0.24 1.58 0.00 -1.26 -0.55 121.76 117.20 1stm s ALA 87 Ca -0.04 0.47 0.18 0.00 0.00 0.00 0.00 51.96 52.56 1stm s ALA 87 Cb -0.01 0.69 0.18 0.00 0.00 0.00 0.00 23.12 23.98 1stm s ALA 87 CO -0.05 -0.67 1.51 1.79 0.00 0.00 0.00 175.76 178.35 1stm h THR 88 N 2.29 0.58 0.00 0.00 1.35 -1.46 -3.49 112.91 112.19 1stm h THR 88 Ca -0.33 -1.80 0.00 0.00 -0.55 0.00 0.00 66.41 63.73 1stm h THR 88 Cb 1.27 2.27 0.00 0.00 -1.73 0.00 0.00 68.15 69.96 1stm h THR 88 CO 0.40 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 176.61 1stm n GLY 89 N 1.15 -0.51 3.74 5.82 0.00 -1.26 -4.90 105.19 109.22 1stm n GLY 89 Ca 0.03 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 1stm n GLY 89 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1stm n VAL 90 N -0.25 1.19 -4.85 1.61 0.24 -1.26 -4.56 118.33 110.45 1stm n VAL 90 Ca 0.00 -0.30 -0.27 0.00 -2.04 0.00 0.00 64.34 61.73 1stm n VAL 90 Cb 0.00 -1.89 -0.15 0.00 -1.47 0.00 0.00 33.84 30.34 1stm n VAL 90 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1stm s GLN 91 N -0.77 1.59 0.20 7.34 -1.52 0.66 -4.95 119.66 122.21 1stm s GLN 91 Ca 0.63 -0.89 -0.12 0.00 -1.95 0.00 0.00 55.36 53.03 1stm s GLN 91 Cb -0.52 -1.65 -0.07 0.00 -0.22 0.00 0.00 33.01 30.56 1stm s GLN 91 CO 0.51 0.43 0.55 -0.51 -0.25 0.00 0.00 175.29 176.03 1stm s LEU 92 N -0.91 4.23 -0.02 2.90 1.43 -1.26 -1.54 118.68 123.52 1stm s LEU 92 Ca 0.08 0.99 0.08 0.00 -1.03 0.00 0.00 54.13 54.25 1stm s LEU 92 Cb -0.09 -3.52 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 1stm s LEU 92 CO 0.01 -0.00 -0.24 -0.04 0.23 0.00 0.00 176.35 176.30 1stm s MET 93 N -2.47 2.12 0.00 1.70 -1.94 0.35 -4.97 119.30 114.10 1stm s MET 93 Ca 0.44 -0.92 0.00 0.00 -1.71 0.00 0.00 55.69 53.49 1stm s MET 93 Cb -0.13 -2.08 0.00 0.00 2.01 0.00 0.00 34.83 34.64 1stm s MET 93 CO 0.20 0.56 0.00 0.41 -0.01 0.00 0.00 175.02 176.18 1stm n GLY 94 N 2.33 4.85 0.13 -0.03 0.00 -1.26 -3.81 105.19 107.40 1stm n GLY 94 Ca -0.16 -1.98 0.10 0.00 0.00 0.00 0.00 46.02 43.99 1stm n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1stm n THR 95 N 0.00 0.04 -4.92 2.61 -2.24 -1.21 -0.91 114.28 107.65 1stm n THR 95 Ca 0.00 -0.08 -0.26 0.00 -2.27 0.00 0.00 64.05 61.44 1stm n THR 95 Cb 0.00 -0.15 -0.16 0.00 -2.10 0.00 0.00 70.33 67.93 1stm n THR 95 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1stm s VAL 96 N -1.96 1.51 0.35 2.28 1.01 -1.26 -4.83 120.40 117.51 1stm s VAL 96 Ca 0.31 -0.81 -0.28 0.00 0.00 0.00 0.00 61.98 61.21 1stm s VAL 96 Cb 0.15 -1.27 -0.12 0.00 0.00 0.00 0.00 36.38 35.14 1stm s VAL 96 CO 0.25 0.43 1.37 -2.65 0.00 0.00 0.00 175.10 174.49 1stm n PRO 97 N 2.73 2.33 -4.09 2.72 -0.02 -1.26 -4.72 135.00 132.70 1stm n PRO 97 Ca -0.16 0.82 -0.16 0.00 -2.02 0.00 0.00 63.50 61.98 1stm n PRO 97 Cb 0.53 -2.46 -0.15 0.00 -0.02 0.00 0.00 33.50 31.41 1stm n PRO 97 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1stm s ARG 98 N -1.92 0.38 -0.11 -0.52 3.52 -0.90 -4.96 118.95 114.44 1stm s ARG 98 Ca 0.55 -0.12 -0.01 0.00 -0.13 0.00 0.00 55.73 56.01 1stm s ARG 98 Cb -0.54 -0.40 -0.03 0.00 -1.56 0.00 0.00 34.95 32.43 1stm s ARG 98 CO 0.63 0.05 -0.05 0.99 -0.81 0.00 0.00 175.30 176.10 1stm s THR 99 N 0.13 3.83 -0.01 4.11 2.01 -1.26 -2.05 115.64 122.40 1stm s THR 99 Ca -0.01 -0.41 0.05 0.00 0.31 0.00 0.00 61.69 61.63 1stm s THR 99 Cb -0.04 -2.62 -0.01 0.00 0.01 0.00 0.00 72.50 69.83 1stm s THR 99 CO -0.00 0.55 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.62 1stm s VAL 100 N -0.30 1.31 -0.09 3.82 1.01 0.04 -4.98 120.40 121.21 1stm s VAL 100 Ca 0.05 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1stm s VAL 100 Cb -0.13 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 1stm s VAL 100 CO 0.02 0.34 -0.09 -0.60 0.00 0.00 0.00 175.10 174.77 1stm s ARG 101 N -0.47 2.97 -0.26 2.72 3.52 -1.26 -0.48 118.95 125.69 1stm s ARG 101 Ca 0.06 -0.60 0.02 0.00 -0.13 0.00 0.00 55.73 55.08 1stm s ARG 101 Cb -0.07 -2.61 0.05 0.00 -1.56 0.00 0.00 34.95 30.77 1stm s ARG 101 CO -0.00 0.50 -0.10 -1.17 -0.81 0.00 0.00 175.30 173.71 1stm s LEU 102 N -0.38 3.38 -0.20 -0.88 2.96 0.24 -4.99 118.68 118.81 1stm s LEU 102 Ca 0.05 -1.31 0.01 0.00 -0.22 0.00 0.00 54.13 52.66 1stm s LEU 102 Cb -0.12 -1.56 0.02 0.00 0.50 0.00 0.00 46.19 45.02 1stm s LEU 102 CO 0.02 -0.18 -0.17 -0.89 -1.32 0.00 0.00 176.35 173.82 1stm s THR 103 N 1.14 2.25 0.52 3.68 2.01 -1.26 -1.08 115.64 122.90 1stm s THR 103 Ca -0.07 -0.98 -0.19 0.00 0.31 0.00 0.00 61.69 60.76 1stm s THR 103 Cb -0.19 -2.01 -0.07 0.00 0.01 0.00 0.00 72.50 70.24 1stm s THR 103 CO -0.05 0.45 1.08 -2.16 -0.69 0.00 0.00 174.62 173.25 1stm s PRO 104 N 1.29 3.55 0.55 4.92 0.04 -1.26 -5.06 135.00 139.03 1stm s PRO 104 Ca 0.03 1.46 0.06 0.00 0.04 0.00 0.00 61.00 62.59 1stm s PRO 104 Cb -0.14 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.40 1stm s PRO 104 CO -0.11 -0.66 0.45 -0.98 0.04 0.00 0.00 177.00 175.74 1stm s ARG 105 N -3.33 2.26 0.03 4.56 1.70 -1.26 -4.95 118.95 117.96 1stm s ARG 105 Ca 0.69 -1.99 -0.37 0.00 -0.47 0.00 0.00 55.73 53.60 1stm s ARG 105 Cb -0.20 -2.16 -0.16 0.00 -0.57 0.00 0.00 34.95 31.87 1stm s ARG 105 CO 0.25 -0.65 1.43 0.28 -1.08 0.00 0.00 175.30 175.52 1stm n VAL 106 N -1.82 0.06 0.00 4.99 0.31 -1.26 -1.77 118.33 118.83 1stm n VAL 106 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1stm n VAL 106 Cb 0.64 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.62 1stm n VAL 106 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1stm n GLY 107 N 2.86 1.67 0.38 2.92 0.00 -1.26 -4.80 105.19 106.96 1stm n GLY 107 Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.26 1stm n GLY 107 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1stm n GLN 108 N -2.00 2.76 -0.11 1.61 6.02 -0.73 -4.69 117.38 120.23 1stm n GLN 108 Ca 0.00 -2.01 0.04 0.00 -0.01 0.00 0.00 57.00 55.01 1stm n GLN 108 Cb 0.00 -1.27 0.10 0.00 1.02 0.00 0.00 30.24 30.09 1stm n GLN 108 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1stm n ASN 109 N -0.19 2.56 -4.75 1.08 2.85 -1.24 -4.70 115.26 110.86 1stm n ASN 109 Ca 0.09 -1.95 -0.41 0.00 -0.11 0.00 0.00 54.58 52.20 1stm n ASN 109 Cb 0.45 -0.15 0.01 0.00 1.24 0.00 0.00 39.78 41.33 1stm n ASN 109 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1stm n ASN 110 N 0.21 3.26 -4.77 1.20 3.02 -1.26 -4.79 115.26 112.13 1stm n ASN 110 Ca 0.08 1.17 -0.39 0.00 -0.03 0.00 0.00 54.58 55.40 1stm n ASN 110 Cb 0.36 -1.57 -0.03 0.00 -0.61 0.00 0.00 39.78 37.92 1stm n ASN 110 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1stm s TRP 111 N -1.16 3.32 -0.15 3.10 0.52 -1.26 -4.58 118.94 118.74 1stm s TRP 111 Ca 0.58 1.62 -0.20 0.00 0.02 0.00 0.00 56.10 58.11 1stm s TRP 111 Cb -0.49 -3.33 -0.03 0.00 -1.15 0.00 0.00 33.47 28.47 1stm s TRP 111 CO 0.60 -0.92 0.58 -0.06 0.02 0.00 0.00 176.95 177.17 1stm s PHE 112 N -1.32 3.46 0.78 -1.98 0.40 0.53 -4.82 117.98 115.03 1stm s PHE 112 Ca 0.51 0.96 -0.12 0.00 -0.60 0.00 0.00 56.93 57.68 1stm s PHE 112 Cb -0.31 -2.70 0.06 0.00 0.51 0.00 0.00 43.02 40.59 1stm s PHE 112 CO 0.39 0.00 1.12 -0.59 0.70 0.00 0.00 175.22 176.84 1stm s PHE 113 N 1.22 2.33 0.37 0.36 -0.12 -1.26 -1.47 117.98 119.41 1stm s PHE 113 Ca 0.29 1.61 0.14 0.00 -0.05 0.00 0.00 56.93 58.92 1stm s PHE 113 Cb -0.16 -3.18 0.99 0.00 -0.63 0.00 0.00 43.02 40.05 1stm s PHE 113 CO 0.12 -2.07 1.79 0.78 -0.05 0.00 0.00 175.22 175.78 1stm h GLY 114 N -0.97 1.33 -1.10 1.99 0.00 -1.89 -1.22 103.07 101.21 1stm h GLY 114 Ca -0.44 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1stm h GLY 114 CO 0.50 -0.10 0.00 0.70 0.00 0.00 0.00 176.54 177.64 1stm n ASN 115 N -4.65 1.57 -4.68 0.19 3.02 -1.26 -3.49 115.26 105.96 1stm n ASN 115 Ca 0.24 -2.08 -0.44 0.00 -0.03 0.00 0.00 54.58 52.27 1stm n ASN 115 Cb 0.75 -0.26 -0.02 0.00 -0.61 0.00 0.00 39.78 39.64 1stm n ASN 115 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1stm n THR 116 N 0.18 1.14 -1.72 3.41 -2.24 -0.46 -4.87 114.28 109.72 1stm n THR 116 Ca 0.08 -0.28 -0.39 0.00 -2.27 0.00 0.00 64.05 61.19 1stm n THR 116 Cb 0.29 -1.50 0.04 0.00 -2.10 0.00 0.00 70.33 67.06 1stm n THR 116 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1stm n GLU 117 N 1.77 1.62 0.11 -0.78 0.28 -1.26 -4.89 120.64 117.49 1stm n GLU 117 Ca 0.10 0.60 0.14 0.00 -0.16 0.00 0.00 57.16 57.84 1stm n GLU 117 Cb 0.32 -2.48 0.65 0.00 1.43 0.00 0.00 31.44 31.36 1stm n GLU 117 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1stm h GLU 118 N 1.42 0.05 -0.18 3.44 4.39 -1.97 -2.04 114.58 119.69 1stm h GLU 118 Ca -0.50 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.20 1stm h GLU 118 Cb 1.31 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 1stm h GLU 118 CO 0.57 0.03 0.00 0.00 -1.16 0.00 0.00 179.01 178.45 1stm n ALA 119 N -2.58 2.51 -2.07 3.43 0.00 -1.26 -1.29 120.51 119.25 1stm n ALA 119 Ca 0.04 -0.48 -0.42 0.00 0.00 0.00 0.00 53.44 52.58 1stm n ALA 119 Cb 0.35 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 1stm n ALA 119 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1stm s GLU 120 N -1.77 4.27 0.08 0.00 2.56 -0.77 -4.81 118.70 118.27 1stm s GLU 120 Ca 0.29 2.19 -0.30 0.00 0.00 0.00 0.00 54.97 57.14 1stm s GLU 120 Cb 0.15 -3.26 -0.06 0.00 2.00 0.00 0.00 34.13 32.97 1stm s GLU 120 CO 0.23 -0.52 1.12 0.99 -0.56 0.00 0.00 175.26 176.51 1stm s THR 121 N 1.29 4.18 -0.13 -1.70 2.01 -1.26 -1.67 115.64 118.37 1stm s THR 121 Ca 0.67 1.64 -0.05 0.00 0.31 0.00 0.00 61.69 64.26 1stm s THR 121 Cb -0.39 -4.05 -0.06 0.00 0.01 0.00 0.00 72.50 68.01 1stm s THR 121 CO 0.30 0.17 -0.15 -0.38 -0.69 0.00 0.00 174.62 173.87 1stm n ILE 122 N 3.52 0.71 -4.06 1.82 5.41 -0.17 -4.79 119.36 121.81 1stm n ILE 122 Ca 0.07 -0.20 -0.14 0.00 1.00 0.00 0.00 62.75 63.47 1stm n ILE 122 Cb 0.47 -1.50 -0.14 0.00 -0.71 0.00 0.00 39.64 37.77 1stm n ILE 122 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1stm s LEU 123 N -6.47 2.04 -0.02 1.39 2.96 -0.98 -1.15 118.68 116.45 1stm s LEU 123 Ca -0.18 -0.12 0.05 0.00 -0.22 0.00 0.00 54.13 53.67 1stm s LEU 123 Cb 0.06 -0.17 -0.01 0.00 0.50 0.00 0.00 46.19 46.58 1stm s LEU 123 CO 0.24 0.01 -0.17 0.00 -1.32 0.00 0.00 176.35 175.11 1stm s ALA 124 N -0.24 1.46 -0.15 5.97 0.00 0.04 0.04 121.76 128.87 1stm s ALA 124 Ca -0.00 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.22 1stm s ALA 124 Cb -0.02 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.73 1stm s ALA 124 CO -0.00 0.34 -0.17 0.42 0.00 0.00 0.00 175.76 176.36 1stm s ILE 125 N -0.34 1.75 0.08 0.00 1.01 0.00 -0.22 121.20 123.49 1stm s ILE 125 Ca 0.05 -0.75 -0.20 0.00 0.00 0.00 0.00 60.65 59.75 1stm s ILE 125 Cb -0.07 -1.61 -0.07 0.00 0.01 0.00 0.00 42.46 40.72 1stm s ILE 125 CO -0.00 0.49 0.59 -1.81 0.00 0.00 0.00 174.94 174.20 1stm s ASP 126 N 1.33 7.08 -0.21 3.58 1.01 -0.33 -0.90 116.67 128.23 1stm s ASP 126 Ca 0.03 1.29 -0.10 0.00 0.71 0.00 0.00 52.55 54.48 1stm s ASP 126 Cb -0.13 -2.37 -0.05 0.00 1.01 0.00 0.00 42.92 41.38 1stm s ASP 126 CO -0.10 0.26 0.12 -0.83 0.21 0.00 0.00 175.17 174.84 1stm s GLY 127 N -1.14 1.99 0.02 0.21 0.00 -0.48 -2.25 107.32 105.66 1stm s GLY 127 Ca 0.30 -0.77 0.04 0.00 0.00 0.00 0.00 44.72 44.29 1stm s GLY 127 CO 0.20 0.21 -0.13 1.08 0.00 0.00 0.00 173.10 174.45 1stm s LEU 128 N 0.61 2.10 0.15 0.66 1.02 -0.42 -4.03 118.68 118.77 1stm s LEU 128 Ca 0.07 -0.35 0.10 0.00 0.02 0.00 0.00 54.13 53.96 1stm s LEU 128 Cb -0.12 -0.63 -0.04 0.00 0.02 0.00 0.00 46.19 45.42 1stm s LEU 128 CO 0.01 0.09 -0.22 0.68 0.02 0.00 0.00 176.35 176.93 1stm s VAL 129 N -0.59 1.99 -0.16 -1.59 -7.23 -1.26 -1.58 120.40 109.98 1stm s VAL 129 Ca 0.03 -1.82 0.20 0.00 -1.81 0.00 0.00 61.98 58.59 1stm s VAL 129 Cb -0.06 -1.86 -0.11 0.00 0.56 0.00 0.00 36.38 34.91 1stm s VAL 129 CO 0.00 -0.13 0.84 -1.54 -0.31 0.00 0.00 175.10 173.96 1stm n SER 130 N 0.61 0.67 -4.70 4.85 3.41 -1.26 -4.87 113.62 112.33 1stm n SER 130 Ca -0.16 0.27 -0.38 0.00 -0.26 0.00 0.00 58.87 58.35 1stm n SER 130 Cb 0.55 0.64 -0.07 0.00 -0.26 0.00 0.00 64.21 65.08 1stm n SER 130 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1stm s THR 131 N -3.22 5.22 0.01 6.66 2.01 -1.26 -5.02 115.64 120.04 1stm s THR 131 Ca -0.03 0.77 -0.35 0.00 0.31 0.00 0.00 61.69 62.39 1stm s THR 131 Cb 0.10 -3.74 -0.14 0.00 0.01 0.00 0.00 72.50 68.72 1stm s THR 131 CO 0.82 0.31 1.64 1.17 -0.69 0.00 0.00 174.62 177.87 1stm n LYS 132 N 3.98 1.83 -0.89 4.92 4.81 -1.26 -1.84 118.16 129.71 1stm n LYS 132 Ca -0.08 0.66 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 1stm n LYS 132 Cb 0.51 -2.42 0.00 0.00 0.02 0.00 0.00 35.03 33.14 1stm n LYS 132 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1stm n GLY 133 N 3.64 0.67 3.78 3.14 0.00 -1.26 -5.01 105.19 110.15 1stm n GLY 133 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1stm n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1stm s ALA 134 N -2.96 2.53 0.12 4.61 0.00 -0.77 -5.05 121.76 120.24 1stm s ALA 134 Ca 0.00 0.41 0.02 0.00 0.00 0.00 0.00 51.96 52.39 1stm s ALA 134 Cb 0.00 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 1stm s ALA 134 CO 0.00 -1.22 0.27 -0.80 0.00 0.00 0.00 175.76 174.01 1stm s ASN 135 N -2.89 6.35 0.21 0.00 0.01 -1.26 -4.93 114.94 112.44 1stm s ASN 135 Ca 0.64 0.21 -0.30 0.00 -0.71 0.00 0.00 52.86 52.70 1stm s ASN 135 Cb -0.18 -1.93 -0.08 0.00 0.41 0.00 0.00 41.25 39.47 1stm s ASN 135 CO 0.44 0.08 1.10 0.00 -1.51 0.00 0.00 177.10 177.21 1stm s ALA 136 N -1.68 3.38 0.93 0.60 0.00 -1.26 -4.99 121.76 118.74 1stm s ALA 136 Ca 0.35 0.84 -0.14 0.00 0.00 0.00 0.00 51.96 53.00 1stm s ALA 136 Cb -0.12 -3.34 0.16 0.00 0.00 0.00 0.00 23.12 19.82 1stm s ALA 136 CO 0.28 -0.18 1.21 -1.25 0.00 0.00 0.00 175.76 175.82 1stm s PRO 137 N -0.74 0.95 0.24 0.00 0.04 -1.26 -4.94 135.00 129.29 1stm s PRO 137 Ca 0.48 -0.05 -0.31 0.00 0.04 0.00 0.00 61.00 61.16 1stm s PRO 137 Cb -0.30 -1.85 -0.13 0.00 0.04 0.00 0.00 34.50 32.26 1stm s PRO 137 CO 0.37 -2.26 1.50 0.45 0.04 0.00 0.00 177.00 177.09 1stm n SER 138 N -3.74 3.18 -3.58 6.66 2.88 -1.26 -4.79 113.62 112.96 1stm n SER 138 Ca 0.11 1.13 -0.11 0.00 -1.33 0.00 0.00 58.87 58.67 1stm n SER 138 Cb 0.60 -1.48 -0.03 0.00 -0.75 0.00 0.00 64.21 62.54 1stm n SER 138 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1stm s ASN 139 N 0.47 -0.38 -0.08 -3.46 2.20 -1.26 -0.87 114.94 111.56 1stm s ASN 139 Ca 0.69 -0.24 -0.06 0.00 -0.94 0.00 0.00 52.86 52.31 1stm s ASN 139 Cb -0.60 0.56 0.03 0.00 -2.00 0.00 0.00 41.25 39.23 1stm s ASN 139 CO 0.47 -0.96 0.19 -0.89 -2.94 0.00 0.00 177.10 172.97 1stm s THR 140 N -3.80 -0.01 -0.07 0.54 2.01 -0.76 -4.47 115.64 109.08 1stm s THR 140 Ca 0.04 0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.12 1stm s THR 140 Cb -0.00 -0.28 0.01 0.00 0.01 0.00 0.00 72.50 72.23 1stm s THR 140 CO -0.10 0.02 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.01 1stm s VAL 141 N 0.44 1.38 -0.17 3.82 1.01 -0.14 -1.98 120.40 124.76 1stm s VAL 141 Ca -0.03 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 1stm s VAL 141 Cb -0.04 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1stm s VAL 141 CO -0.02 0.41 -0.03 -0.63 0.00 0.00 0.00 175.10 174.83 1stm s ILE 142 N 0.51 3.87 -0.15 2.22 1.01 0.11 -1.29 121.20 127.48 1stm s ILE 142 Ca -0.14 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.15 1stm s ILE 142 Cb -0.16 -2.71 -0.00 0.00 0.01 0.00 0.00 42.46 39.60 1stm s ILE 142 CO 0.05 0.47 -0.15 -0.69 0.00 0.00 0.00 174.94 174.62 1stm s VAL 143 N 0.57 2.66 -0.19 2.92 1.01 0.40 -0.90 120.40 126.86 1stm s VAL 143 Ca -0.02 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.19 1stm s VAL 143 Cb -0.14 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 34.15 1stm s VAL 143 CO 0.02 0.52 -0.15 -0.89 0.00 0.00 0.00 175.10 174.60 1stm s THR 144 N 0.80 1.87 -0.02 3.92 2.01 -0.30 -1.29 115.64 122.63 1stm s THR 144 Ca -0.05 -1.02 -0.02 0.00 0.31 0.00 0.00 61.69 60.90 1stm s THR 144 Cb -0.15 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 1stm s THR 144 CO 0.00 0.32 0.14 -0.83 -0.69 0.00 0.00 174.62 173.56 1stm s GLY 145 N 1.32 2.11 -0.23 4.40 0.00 0.07 -1.04 107.32 113.95 1stm s GLY 145 Ca 0.01 -0.79 -0.05 0.00 0.00 0.00 0.00 44.72 43.89 1stm s GLY 145 CO -0.10 -0.65 -0.01 0.00 0.00 0.00 0.00 173.10 172.35 1stm s PHE 147 N 1.49 2.10 -0.17 0.00 0.08 0.38 -0.60 117.98 121.26 1stm s PHE 147 Ca 0.06 -0.40 -0.10 0.00 0.12 0.00 0.00 56.93 56.61 1stm s PHE 147 Cb -0.14 -1.31 -0.05 0.00 -0.57 0.00 0.00 43.02 40.95 1stm s PHE 147 CO -0.01 0.03 0.17 0.50 -0.10 0.00 0.00 175.22 175.81 1stm s ARG 148 N -0.83 4.02 -0.05 0.44 3.52 -0.27 -0.99 118.95 124.79 1stm s ARG 148 Ca 0.09 -0.12 0.03 0.00 -0.13 0.00 0.00 55.73 55.61 1stm s ARG 148 Cb -0.09 -3.36 -0.03 0.00 -1.56 0.00 0.00 34.95 29.91 1stm s ARG 148 CO 0.00 0.41 -0.14 -0.51 -0.81 0.00 0.00 175.30 174.25 1stm s LEU 149 N 0.01 2.73 0.63 -0.88 1.43 -0.23 -0.90 118.68 121.47 1stm s LEU 149 Ca 0.12 -0.20 -0.04 0.00 -1.03 0.00 0.00 54.13 52.98 1stm s LEU 149 Cb -0.12 -1.56 0.04 0.00 0.03 0.00 0.00 46.19 44.59 1stm s LEU 149 CO 0.01 0.34 0.90 0.00 0.23 0.00 0.00 176.35 177.83 1stm s ALA 150 N -0.69 3.45 0.67 4.21 0.00 -0.05 -2.10 121.76 127.25 1stm s ALA 150 Ca 0.11 -1.04 -0.17 0.00 0.00 0.00 0.00 51.96 50.86 1stm s ALA 150 Cb -0.11 -2.40 0.00 0.00 0.00 0.00 0.00 23.12 20.62 1stm s ALA 150 CO 0.01 -1.01 1.21 -2.14 0.00 0.00 0.00 175.76 173.82 1stm s PRO 151 N -5.02 2.54 0.52 0.00 0.02 -1.26 -4.54 135.00 127.25 1stm s PRO 151 Ca 0.58 1.77 -0.21 0.00 0.02 0.00 0.00 61.00 63.16 1stm s PRO 151 Cb -0.11 -1.88 -0.06 0.00 0.02 0.00 0.00 34.50 32.48 1stm s PRO 151 CO 0.42 -1.53 1.23 -1.12 -0.33 0.00 0.00 177.00 175.67 1stm s SER 152 N -1.88 5.65 -0.83 2.53 0.01 -1.26 -4.58 113.70 113.35 1stm s SER 152 Ca 0.75 2.45 -0.16 0.00 1.31 0.00 0.00 55.95 60.31 1stm s SER 152 Cb -0.29 -2.61 0.18 0.00 0.21 0.00 0.00 66.02 63.50 1stm s SER 152 CO 0.40 -1.28 0.86 -0.70 0.41 0.00 0.00 173.24 172.93 1stm s GLU 153 N -2.94 3.53 0.41 12.44 2.12 0.05 -5.01 118.70 129.30 1stm s GLU 153 Ca 0.70 -2.11 -0.15 0.00 0.36 0.00 0.00 54.97 53.77 1stm s GLU 153 Cb -0.32 -4.56 -0.08 0.00 0.26 0.00 0.00 34.13 29.43 1stm s GLU 153 CO 0.38 -1.47 0.84 -0.51 -0.54 0.00 0.00 175.26 173.96 1stm s LEU 154 N 1.25 3.86 0.25 2.70 1.43 -1.26 -4.73 118.68 122.18 1stm s LEU 154 Ca 0.21 1.35 -0.04 0.00 -1.03 0.00 0.00 54.13 54.63 1stm s LEU 154 Cb -0.11 -4.22 -0.05 0.00 0.03 0.00 0.00 46.19 41.84 1stm s LEU 154 CO -0.07 -0.38 0.49 -1.10 0.23 0.00 0.00 176.35 175.51 1stm s GLN 155 N -3.57 3.60 0.60 1.70 -1.52 -1.26 -5.09 119.66 114.12 1stm s GLN 155 Ca 0.55 -0.11 -0.11 0.00 -1.95 0.00 0.00 55.36 53.75 1stm s GLN 155 Cb -0.10 -2.72 -0.04 0.00 -0.22 0.00 0.00 33.01 29.93 1stm s GLN 155 CO 0.25 0.29 1.01 0.45 -0.25 0.00 0.00 175.29 177.05 1stm s SER 156 N -3.10 6.26 0.00 5.90 0.15 -1.26 -5.32 113.70 116.34 1stm s SER 156 Ca 0.42 1.40 0.29 0.00 0.70 0.00 0.00 55.95 58.76 1stm s SER 156 Cb -0.11 -2.46 1.17 0.00 -1.71 0.00 0.00 66.02 62.91 1stm s SER 156 CO 0.29 -0.83 1.81 -1.20 1.20 0.00 0.00 173.24 174.51