#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bjm s VAL 2 N 0.00 2.61 0.11 2.62 1.01 -1.26 -5.09 120.40 120.40 2bjm s VAL 2 Ca 0.00 0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.30 2bjm s VAL 2 Cb 0.00 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 2bjm s VAL 2 CO 0.00 -0.22 -0.16 0.00 0.00 0.00 0.00 175.10 174.72 2bjm s GLN 3 N -4.42 1.89 -0.03 2.72 -2.07 -1.26 -4.57 119.66 111.92 2bjm s GLN 3 Ca 0.68 -1.13 -0.01 0.00 -1.82 0.00 0.00 55.36 53.08 2bjm s GLN 3 Cb -0.23 -2.17 -0.04 0.00 -1.09 0.00 0.00 33.01 29.48 2bjm s GLN 3 CO 0.52 0.49 0.06 -0.51 -1.32 0.00 0.00 175.29 174.52 2bjm s LEU 4 N -2.15 3.81 -0.17 2.60 1.43 -1.26 -2.09 118.68 120.84 2bjm s LEU 4 Ca 0.19 0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.43 2bjm s LEU 4 Cb -0.11 -2.11 0.04 0.00 0.03 0.00 0.00 46.19 44.05 2bjm s LEU 4 CO 0.11 0.31 -0.04 -1.10 0.23 0.00 0.00 176.35 175.86 2bjm s GLN 5 N -1.45 1.29 0.28 1.70 1.11 -0.11 -4.60 119.66 117.87 2bjm s GLN 5 Ca 0.19 -0.50 0.11 0.00 0.01 0.00 0.00 55.36 55.18 2bjm s GLN 5 Cb -0.12 -1.99 -0.05 0.00 -1.01 0.00 0.00 33.01 29.84 2bjm s GLN 5 CO 0.10 -0.46 -0.19 -0.65 0.01 0.00 0.00 175.29 174.10 2bjm s GLN 6 N 1.67 1.66 0.49 2.91 -0.21 -1.26 -0.07 119.66 124.85 2bjm s GLN 6 Ca 0.00 -1.77 -0.21 0.00 0.02 0.00 0.00 55.36 53.40 2bjm s GLN 6 Cb -0.16 -1.71 -0.08 0.00 1.00 0.00 0.00 33.01 32.07 2bjm s GLN 6 CO -0.07 0.30 1.09 -1.54 -2.12 0.00 0.00 175.29 172.94 2bjm s SER 7 N -3.50 6.19 0.06 5.90 1.04 -1.26 -4.89 113.70 117.24 2bjm s SER 7 Ca 0.30 2.08 -0.33 0.00 0.48 0.00 0.00 55.95 58.48 2bjm s SER 7 Cb -0.04 -2.58 -0.19 0.00 0.10 0.00 0.00 66.02 63.32 2bjm s SER 7 CO 0.14 -0.89 1.53 1.23 0.98 0.00 0.00 173.24 176.24 2bjm h GLY 8 N 1.67 -0.99 -4.37 7.32 0.00 -1.96 -3.37 103.07 101.37 2bjm h GLY 8 Ca -0.49 0.37 -0.11 0.00 0.00 0.00 0.00 47.33 47.10 2bjm h GLY 8 CO 0.59 -0.36 -0.22 0.00 0.00 0.00 0.00 176.54 176.55 2bjm s ALA 9 N -5.84 -0.88 -0.01 3.60 0.00 -1.26 -2.20 121.76 115.17 2bjm s ALA 9 Ca -0.17 0.40 0.02 0.00 0.00 0.00 0.00 51.96 52.20 2bjm s ALA 9 Cb 0.03 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.25 2bjm s ALA 9 CO 0.59 -0.29 -0.06 -1.21 0.00 0.00 0.00 175.76 174.79 2bjm s GLU 10 N -1.46 0.48 -0.13 0.00 0.41 -0.13 -4.95 118.70 112.91 2bjm s GLU 10 Ca -0.12 -0.21 -0.01 0.00 -0.41 0.00 0.00 54.97 54.22 2bjm s GLU 10 Cb -0.04 -0.46 -0.02 0.00 -1.78 0.00 0.00 34.13 31.83 2bjm s GLU 10 CO 0.04 0.12 -0.12 -0.48 -0.49 0.00 0.00 175.26 174.33 2bjm s LEU 11 N -0.11 2.80 0.29 1.80 2.34 -1.26 -1.28 118.68 123.25 2bjm s LEU 11 Ca 0.02 -0.30 0.03 0.00 0.06 0.00 0.00 54.13 53.94 2bjm s LEU 11 Cb -0.03 -1.64 -0.03 0.00 -0.56 0.00 0.00 46.19 43.94 2bjm s LEU 11 CO -0.00 0.17 0.26 0.54 -1.06 0.00 0.00 176.35 176.26 2bjm s VAL 12 N 0.35 0.00 0.10 1.48 0.11 -0.49 -4.98 120.40 116.97 2bjm s VAL 12 Ca -0.10 -1.93 0.06 0.00 -2.93 0.00 0.00 61.98 57.09 2bjm s VAL 12 Cb -0.16 -2.51 -0.03 0.00 -1.53 0.00 0.00 36.38 32.15 2bjm s VAL 12 CO 0.05 0.00 -0.16 -1.59 -3.33 0.00 0.00 175.10 170.07 2bjm s LYS 13 N -3.64 1.00 0.16 1.54 -2.85 -1.26 -4.15 119.74 110.54 2bjm s LYS 13 Ca 0.38 -1.14 -0.34 0.00 -1.00 0.00 0.00 55.97 53.87 2bjm s LYS 13 Cb 0.03 -1.03 -0.14 0.00 -2.06 0.00 0.00 37.83 34.63 2bjm s LYS 13 CO 0.21 0.22 1.55 -2.30 0.10 0.00 0.00 175.35 175.13 2bjm n PRO 14 N 0.88 2.07 0.00 1.78 -0.02 -1.26 -2.01 135.00 136.44 2bjm n PRO 14 Ca -0.18 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2bjm n PRO 14 Cb 0.55 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2bjm n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bjm n GLY 15 N 3.28 3.11 3.90 -1.23 0.00 0.18 -4.92 105.19 109.52 2bjm n GLY 15 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2bjm n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bjm s ALA 16 N -2.85 2.23 -0.09 4.61 0.00 -0.85 -4.21 121.76 120.59 2bjm s ALA 16 Ca 0.00 -1.03 0.04 0.00 0.00 0.00 0.00 51.96 50.96 2bjm s ALA 16 Cb 0.00 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.29 2bjm s ALA 16 CO 0.00 -2.32 -0.22 0.45 0.00 0.00 0.00 175.76 173.68 2bjm s SER 17 N -4.73 2.83 0.09 0.00 0.15 -1.26 -0.02 113.70 110.76 2bjm s SER 17 Ca 0.71 -0.51 0.09 0.00 0.70 0.00 0.00 55.95 56.94 2bjm s SER 17 Cb -0.06 -1.29 -0.03 0.00 -1.71 0.00 0.00 66.02 62.92 2bjm s SER 17 CO 0.52 0.14 -0.24 0.54 1.20 0.00 0.00 173.24 175.40 2bjm s VAL 18 N 0.40 1.99 -0.10 4.45 0.11 -0.47 -4.97 120.40 121.81 2bjm s VAL 18 Ca -0.18 -1.54 0.04 0.00 -2.93 0.00 0.00 61.98 57.37 2bjm s VAL 18 Cb -0.18 -1.76 0.00 0.00 -1.53 0.00 0.00 36.38 32.92 2bjm s VAL 18 CO 0.08 0.13 -0.23 -1.59 -3.33 0.00 0.00 175.10 170.15 2bjm s LYS 19 N -1.71 3.02 0.00 1.54 0.00 -1.26 -0.38 119.74 120.95 2bjm s LYS 19 Ca 0.10 -0.87 0.04 0.00 0.00 0.00 0.00 55.97 55.25 2bjm s LYS 19 Cb -0.10 -2.30 -0.03 0.00 0.00 0.00 0.00 37.83 35.40 2bjm s LYS 19 CO 0.04 0.15 -0.11 -0.51 0.00 0.00 0.00 175.35 174.93 2bjm s LEU 20 N 0.41 2.97 0.15 2.77 1.02 0.83 -4.96 118.68 121.87 2bjm s LEU 20 Ca -0.17 -0.22 0.09 0.00 0.02 0.00 0.00 54.13 53.85 2bjm s LEU 20 Cb -0.18 -1.70 -0.04 0.00 0.02 0.00 0.00 46.19 44.29 2bjm s LEU 20 CO 0.08 0.29 -0.13 -0.94 0.02 0.00 0.00 176.35 175.67 2bjm s SER 21 N -1.29 4.13 -0.18 2.29 1.04 -1.26 -1.06 113.70 117.36 2bjm s SER 21 Ca 0.15 -0.56 -0.05 0.00 0.48 0.00 0.00 55.95 55.97 2bjm s SER 21 Cb -0.11 -0.66 0.06 0.00 0.10 0.00 0.00 66.02 65.41 2bjm s SER 21 CO 0.06 0.13 0.09 0.00 0.98 0.00 0.00 173.24 174.50 2bjm s LYS 23 N 2.13 3.07 -0.27 0.00 1.02 0.90 -1.44 119.74 125.16 2bjm s LYS 23 Ca 0.03 -0.45 -0.11 0.00 0.02 0.00 0.00 55.97 55.46 2bjm s LYS 23 Cb -0.16 -2.87 -0.05 0.00 -0.52 0.00 0.00 37.83 34.24 2bjm s LYS 23 CO -0.12 0.67 0.21 0.00 -0.92 0.00 0.00 175.35 175.19 2bjm s ALA 24 N -1.12 3.56 -0.87 5.17 0.00 -1.26 -0.93 121.76 126.30 2bjm s ALA 24 Ca 0.20 -0.99 -0.10 0.00 0.00 0.00 0.00 51.96 51.07 2bjm s ALA 24 Cb -0.12 -2.47 0.22 0.00 0.00 0.00 0.00 23.12 20.76 2bjm s ALA 24 CO 0.11 -0.46 0.80 -1.54 0.00 0.00 0.00 175.76 174.67 2bjm s SER 25 N 1.55 6.58 0.00 0.00 1.04 -0.89 -4.58 113.70 117.40 2bjm s SER 25 Ca 0.08 -3.05 0.00 0.00 0.48 0.00 0.00 55.95 53.47 2bjm s SER 25 Cb -0.15 -2.12 0.00 0.00 0.10 0.00 0.00 66.02 63.84 2bjm s SER 25 CO 0.09 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.49 2bjm n GLY 26 N 3.41 0.70 0.00 7.32 0.00 -1.26 -4.11 105.19 111.26 2bjm n GLY 26 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2bjm n GLY 26 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2bjm n TYR 27 N 0.00 -0.50 -3.84 1.61 -0.00 -1.26 -4.98 117.16 108.19 2bjm n TYR 27 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.90 57.55 2bjm n TYR 27 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 39.34 39.21 2bjm n TYR 27 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 2bjm s THR 28 N -2.50 3.13 0.33 -3.48 2.01 -1.26 -4.98 115.64 108.90 2bjm s THR 28 Ca 0.00 -1.81 0.04 0.00 0.31 0.00 0.00 61.69 60.23 2bjm s THR 28 Cb 0.00 -3.03 0.16 0.00 0.01 0.00 0.00 72.50 69.65 2bjm s THR 28 CO 0.00 -0.46 1.88 -0.26 -0.69 0.00 0.00 174.62 175.09 2bjm h PHE 29 N 8.01 0.58 0.00 4.92 -1.00 -1.97 -3.04 116.94 124.44 2bjm h PHE 29 Ca -0.15 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.57 2bjm h PHE 29 Cb 1.05 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 40.44 2bjm h PHE 29 CO 0.57 0.55 0.00 1.79 -1.61 0.00 0.00 178.31 179.60 2bjm h THR 30 N 0.54 0.00 0.05 -1.55 1.35 -2.03 -3.19 112.91 108.09 2bjm h THR 30 Ca 0.12 -0.20 -0.37 0.00 -0.55 0.00 0.00 66.41 65.41 2bjm h THR 30 Cb 0.30 1.02 -0.05 0.00 -1.73 0.00 0.00 68.15 67.69 2bjm h THR 30 CO 0.01 0.00 -2.18 -0.24 -0.25 0.00 0.00 175.52 172.86 2bjm n SER 31 N -2.67 1.67 0.00 5.36 2.88 -1.15 -5.05 113.62 114.65 2bjm n SER 31 Ca -0.00 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 2bjm n SER 31 Cb 0.17 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 2bjm n SER 31 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2bjm n TYR 32 N -3.26 0.00 -4.18 0.66 0.53 -1.21 -4.75 117.16 104.95 2bjm n TYR 32 Ca -0.35 0.00 -0.11 0.00 -1.02 0.00 0.00 57.90 56.42 2bjm n TYR 32 Cb 1.04 0.00 -0.10 0.00 -1.03 0.00 0.00 39.34 39.25 2bjm n TYR 32 CO 0.00 0.00 0.00 -0.46 -1.02 0.00 0.00 176.86 175.38 2bjm s TRP 33 N 2.17 1.02 -0.06 -0.72 -0.00 -1.26 -4.97 118.94 115.12 2bjm s TRP 33 Ca 0.00 -1.27 -0.05 0.00 -0.00 0.00 0.00 56.10 54.77 2bjm s TRP 33 Cb 0.00 -0.54 0.01 0.00 -0.00 0.00 0.00 33.47 32.95 2bjm s TRP 33 CO 0.00 -0.54 0.15 1.41 -0.00 0.00 0.00 176.95 177.98 2bjm s MET 34 N -4.08 0.18 0.28 5.86 -2.45 -1.25 -4.37 119.30 113.48 2bjm s MET 34 Ca 0.30 0.21 0.10 0.00 -1.25 0.00 0.00 55.69 55.05 2bjm s MET 34 Cb 0.07 0.09 -0.05 0.00 1.25 0.00 0.00 34.83 36.19 2bjm s MET 34 CO 0.06 -0.02 -0.06 -1.58 1.05 0.00 0.00 175.02 174.47 2bjm s HIS 35 N 0.07 2.54 -0.06 4.11 2.46 -0.56 -2.93 115.29 120.91 2bjm s HIS 35 Ca -0.00 -0.30 0.01 0.00 0.47 0.00 0.00 55.06 55.24 2bjm s HIS 35 Cb -0.01 -1.18 0.02 0.00 -0.13 0.00 0.00 32.58 31.28 2bjm s HIS 35 CO 0.00 0.63 -0.05 -1.58 -2.47 0.00 0.00 174.74 171.26 2bjm s TRP 36 N -2.42 0.97 -0.14 3.88 0.52 -1.26 -2.45 118.94 118.04 2bjm s TRP 36 Ca 0.32 -0.34 0.01 0.00 0.02 0.00 0.00 56.10 56.11 2bjm s TRP 36 Cb -0.05 -0.85 0.02 0.00 -1.15 0.00 0.00 33.47 31.44 2bjm s TRP 36 CO 0.18 -0.28 -0.16 0.08 0.02 0.00 0.00 176.95 176.79 2bjm s VAL 37 N 1.20 1.64 -0.23 4.03 1.01 0.24 -0.99 120.40 127.31 2bjm s VAL 37 Ca -0.06 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 61.03 2bjm s VAL 37 Cb -0.14 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 2bjm s VAL 37 CO -0.02 0.47 0.56 -0.75 0.00 0.00 0.00 175.10 175.36 2bjm s LYS 38 N 1.27 4.13 -0.30 2.72 2.20 0.64 0.25 119.74 130.67 2bjm s LYS 38 Ca 0.01 0.44 -0.07 0.00 -0.36 0.00 0.00 55.97 55.99 2bjm s LYS 38 Cb -0.14 -3.61 0.01 0.00 -1.51 0.00 0.00 37.83 32.58 2bjm s LYS 38 CO -0.08 -0.29 0.09 -1.14 -0.36 0.00 0.00 175.35 173.57 2bjm s GLN 39 N 2.09 3.11 0.18 4.03 0.74 -0.03 0.22 119.66 130.01 2bjm s GLN 39 Ca 0.24 -0.84 0.05 0.00 0.05 0.00 0.00 55.36 54.85 2bjm s GLN 39 Cb -0.16 -3.39 -0.04 0.00 1.10 0.00 0.00 33.01 30.53 2bjm s GLN 39 CO 0.09 -0.44 0.21 1.03 -0.55 0.00 0.00 175.29 175.64 2bjm s ARG 40 N 1.51 3.12 -0.11 1.67 0.52 -1.10 -1.62 118.95 122.94 2bjm s ARG 40 Ca 0.03 -0.81 -0.29 0.00 -0.52 0.00 0.00 55.73 54.14 2bjm s ARG 40 Cb -0.17 -2.75 -0.06 0.00 0.52 0.00 0.00 34.95 32.49 2bjm s ARG 40 CO 0.03 0.48 1.88 -2.14 0.02 0.00 0.00 175.30 175.56 2bjm s PRO 41 N -3.36 3.81 0.00 3.54 0.02 -1.26 -2.18 135.00 135.57 2bjm s PRO 41 Ca 0.33 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.48 2bjm s PRO 41 Cb -0.10 -4.15 0.00 0.00 0.02 0.00 0.00 34.50 30.27 2bjm s PRO 41 CO 0.26 -1.30 0.00 0.41 -0.33 0.00 0.00 177.00 176.03 2bjm n GLY 42 N 4.80 0.82 0.59 0.52 0.00 -1.26 -4.81 105.19 105.86 2bjm n GLY 42 Ca 0.21 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.34 2bjm n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bjm n ARG 43 N -2.34 1.58 0.00 1.61 1.74 -0.93 -5.08 116.66 113.24 2bjm n ARG 43 Ca 0.00 -1.22 0.00 0.00 -0.77 0.00 0.00 57.85 55.86 2bjm n ARG 43 Cb 0.00 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 2bjm n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bjm n GLY 44 N 1.30 1.67 3.28 -0.13 0.00 -1.20 -4.58 105.19 105.54 2bjm n GLY 44 Ca 0.10 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 2bjm n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bjm s LEU 45 N 0.00 2.68 -0.30 0.99 1.43 -1.26 -2.71 118.68 119.51 2bjm s LEU 45 Ca 0.00 -0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 52.60 2bjm s LEU 45 Cb 0.00 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.58 2bjm s LEU 45 CO 0.00 0.03 0.09 -1.61 0.23 0.00 0.00 176.35 175.09 2bjm s GLU 46 N 1.15 3.10 0.11 1.70 2.02 0.59 -4.92 118.70 122.45 2bjm s GLU 46 Ca 0.01 -0.85 -0.36 0.00 0.02 0.00 0.00 54.97 53.80 2bjm s GLU 46 Cb -0.14 -3.39 -0.16 0.00 0.10 0.00 0.00 34.13 30.53 2bjm s GLU 46 CO -0.03 -0.44 1.33 -2.67 0.02 0.00 0.00 175.26 173.46 2bjm n TRP 47 N 4.88 1.54 0.01 1.61 2.14 -1.26 -0.26 117.44 126.09 2bjm n TRP 47 Ca -0.14 0.61 -0.01 0.00 2.07 0.00 0.00 57.50 60.03 2bjm n TRP 47 Cb 0.48 -2.34 -0.00 0.00 -0.81 0.00 0.00 31.31 28.64 2bjm n TRP 47 CO 0.00 0.00 0.00 -0.89 2.07 0.00 0.00 177.69 178.87 2bjm n ILE 48 N 2.39 0.37 -3.06 -1.67 5.41 -0.16 -4.87 119.36 117.77 2bjm n ILE 48 Ca 0.18 0.18 0.00 0.00 1.00 0.00 0.00 62.75 64.11 2bjm n ILE 48 Cb 0.21 -1.30 0.00 0.00 -0.71 0.00 0.00 39.64 37.84 2bjm n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2bjm n GLY 49 N 3.04 5.55 1.43 7.39 0.00 -1.22 -4.23 105.19 117.15 2bjm n GLY 49 Ca -0.01 -1.54 -0.05 0.00 0.00 0.00 0.00 46.02 44.43 2bjm n GLY 49 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2bjm n ARG 50 N 0.00 0.36 -3.64 1.61 -4.01 -0.61 -4.18 116.66 106.20 2bjm n ARG 50 Ca 0.00 -1.02 -0.10 0.00 -1.04 0.00 0.00 57.85 55.69 2bjm n ARG 50 Cb 0.00 1.10 -0.07 0.00 -3.04 0.00 0.00 32.46 30.45 2bjm n ARG 50 CO 0.00 0.00 0.00 -1.50 -3.04 0.00 0.00 177.63 173.09 2bjm s ILE 51 N -2.61 0.00 -0.03 8.89 1.10 -1.14 -3.63 121.20 123.79 2bjm s ILE 51 Ca 0.09 0.00 -0.00 0.00 -0.51 0.00 0.00 60.65 60.23 2bjm s ILE 51 Cb -0.01 -1.00 0.03 0.00 0.15 0.00 0.00 42.46 41.63 2bjm s ILE 51 CO 0.07 0.00 0.04 -0.62 -2.11 0.00 0.00 174.94 172.32 2bjm s ASP 52 N 0.21 0.12 0.06 4.50 2.15 -1.17 -3.92 116.67 118.63 2bjm s ASP 52 Ca 0.03 0.07 -0.12 0.00 0.43 0.00 0.00 52.55 52.96 2bjm s ASP 52 Cb -0.05 -0.05 -0.28 0.00 -0.30 0.00 0.00 42.92 42.25 2bjm s ASP 52 CO -0.06 -0.14 1.12 -0.65 -0.17 0.00 0.00 175.17 175.27 2bjm h PRO 53 N 7.37 0.54 0.00 4.34 0.11 -1.94 -3.29 132.00 139.13 2bjm h PRO 53 Ca -0.43 -0.75 0.00 0.00 0.11 0.00 0.00 66.00 64.92 2bjm h PRO 53 Cb 1.12 0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.49 2bjm h PRO 53 CO 0.45 1.34 0.00 0.27 -0.21 0.00 0.00 178.00 179.85 2bjm n ASN 54 N -3.74 0.00 -0.04 -2.05 6.94 -1.26 -4.64 115.26 110.47 2bjm n ASN 54 Ca -0.13 0.07 -0.08 0.00 -0.02 0.00 0.00 54.58 54.42 2bjm n ASN 54 Cb 1.00 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 38.35 2bjm n ASN 54 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 2bjm h GLY 55 N 0.00 -0.04 0.00 4.83 0.00 -2.06 -3.51 103.07 102.30 2bjm h GLY 55 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2bjm h GLY 55 CO 0.00 -0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.14 2bjm n GLY 56 N 1.51 4.13 2.66 4.60 0.00 -1.24 -5.07 105.19 111.77 2bjm n GLY 56 Ca -0.06 -1.58 -0.03 0.00 0.00 0.00 0.00 46.02 44.35 2bjm n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bjm n GLY 57 N -1.72 -1.89 3.18 -0.02 0.00 -1.24 -4.85 105.19 98.64 2bjm n GLY 57 Ca 0.00 1.32 -0.38 0.00 0.00 0.00 0.00 46.02 46.97 2bjm n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bjm s THR 58 N 0.71 3.60 -0.17 2.61 -4.23 -1.26 -2.88 115.64 114.03 2bjm s THR 58 Ca 0.23 -1.78 -0.03 0.00 -1.18 0.00 0.00 61.69 58.94 2bjm s THR 58 Cb 0.16 -3.34 -0.02 0.00 1.34 0.00 0.00 72.50 70.65 2bjm s THR 58 CO -0.10 -0.59 -0.07 -0.54 -0.54 0.00 0.00 174.62 172.78 2bjm s LYS 59 N 1.25 3.48 0.00 3.99 -0.14 -1.24 -4.68 119.74 122.40 2bjm s LYS 59 Ca 0.05 -0.61 0.00 0.00 -1.36 0.00 0.00 55.97 54.05 2bjm s LYS 59 Cb -0.23 -2.85 0.00 0.00 -1.68 0.00 0.00 37.83 33.07 2bjm s LYS 59 CO -0.02 0.09 0.00 0.66 -0.76 0.00 0.00 175.35 175.33 2bjm n TYR 60 N 3.93 0.00 -3.61 3.18 4.02 -1.26 -1.57 117.16 121.85 2bjm n TYR 60 Ca -0.18 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.59 2bjm n TYR 60 Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.79 2bjm n TYR 60 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 2bjm s ASN 61 N 0.41 -0.32 0.00 7.72 2.47 -1.26 -4.91 114.94 119.05 2bjm s ASN 61 Ca 0.00 -0.09 0.00 0.00 0.42 0.00 0.00 52.86 53.19 2bjm s ASN 61 Cb 0.00 0.48 0.00 0.00 -1.45 0.00 0.00 41.25 40.28 2bjm s ASN 61 CO 0.00 -0.78 0.19 -1.84 -3.72 0.00 0.00 177.10 170.95 2bjm n GLU 62 N 0.11 0.33 -0.01 0.43 -0.00 -1.26 0.18 120.64 120.41 2bjm n GLU 62 Ca -0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 57.16 56.97 2bjm n GLU 62 Cb 0.62 -1.19 -0.02 0.00 -0.00 0.00 0.00 31.44 30.85 2bjm n GLU 62 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2bjm n LYS 63 N 0.40 2.44 0.01 3.44 0.00 -1.26 -4.79 118.16 118.40 2bjm n LYS 63 Ca 0.00 0.01 -0.16 0.00 0.00 0.00 0.00 58.31 58.15 2bjm n LYS 63 Cb 0.09 -1.07 -0.14 0.00 0.00 0.00 0.00 35.03 33.92 2bjm n LYS 63 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 2bjm h PHE 64 N 0.00 0.32 0.00 5.64 0.04 0.15 -3.38 116.94 119.71 2bjm h PHE 64 Ca -0.07 -0.23 0.00 0.00 2.80 0.00 0.00 57.97 60.47 2bjm h PHE 64 Cb 1.14 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.28 2bjm h PHE 64 CO 0.00 1.44 0.52 1.63 -0.60 0.00 0.00 178.31 181.31 2bjm n LYS 65 N -3.33 0.01 0.00 1.51 4.76 0.38 -1.59 118.16 119.91 2bjm n LYS 65 Ca -0.24 0.24 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2bjm n LYS 65 Cb 1.05 -2.06 0.00 0.00 -1.84 0.00 0.00 35.03 32.18 2bjm n LYS 65 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2bjm n SER 66 N -1.36 0.00 0.26 4.39 2.88 -1.26 -4.76 113.62 113.76 2bjm n SER 66 Ca -0.00 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.69 2bjm n SER 66 Cb 0.53 0.00 0.61 0.00 -0.75 0.00 0.00 64.21 64.59 2bjm n SER 66 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2bjm h LYS 67 N 0.00 0.00 -5.54 -1.46 6.56 -1.81 -3.43 116.57 110.89 2bjm h LYS 67 Ca 0.00 0.00 -0.59 0.00 -1.06 0.00 0.00 60.65 59.00 2bjm h LYS 67 Cb 0.00 0.00 -0.10 0.00 -0.57 0.00 0.00 32.23 31.56 2bjm h LYS 67 CO 0.00 0.06 -0.19 0.00 -2.06 0.00 0.00 179.45 177.25 2bjm s ALA 68 N -3.65 3.54 -0.07 3.86 0.00 -0.62 -1.17 121.76 123.64 2bjm s ALA 68 Ca 0.01 -0.40 -0.08 0.00 0.00 0.00 0.00 51.96 51.50 2bjm s ALA 68 Cb 0.09 -2.60 0.02 0.00 0.00 0.00 0.00 23.12 20.63 2bjm s ALA 68 CO 0.57 -0.14 0.21 0.99 0.00 0.00 0.00 175.76 177.40 2bjm s THR 69 N 0.95 0.01 0.27 0.00 2.01 -0.65 -4.41 115.64 113.83 2bjm s THR 69 Ca 0.21 -0.07 0.10 0.00 0.31 0.00 0.00 61.69 62.23 2bjm s THR 69 Cb -0.15 -0.33 -0.05 0.00 0.01 0.00 0.00 72.50 71.98 2bjm s THR 69 CO 0.08 -0.04 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.06 2bjm s LEU 70 N -0.06 2.59 0.34 4.42 1.43 -1.26 0.63 118.68 126.76 2bjm s LEU 70 Ca -0.02 -1.07 -0.17 0.00 -1.03 0.00 0.00 54.13 51.84 2bjm s LEU 70 Cb -0.02 -0.90 0.04 0.00 0.03 0.00 0.00 46.19 45.33 2bjm s LEU 70 CO 0.01 -0.11 0.74 -0.89 0.23 0.00 0.00 176.35 176.33 2bjm s THR 71 N -2.72 0.00 0.42 5.49 2.01 -0.41 -4.86 115.64 115.57 2bjm s THR 71 Ca 0.28 -1.03 0.02 0.00 0.31 0.00 0.00 61.69 61.27 2bjm s THR 71 Cb -0.02 -2.50 -0.01 0.00 0.01 0.00 0.00 72.50 69.99 2bjm s THR 71 CO 0.12 0.00 0.08 1.33 -0.69 0.00 0.00 174.62 175.46 2bjm n VAL 72 N -0.50 0.00 -3.66 3.82 0.24 -1.26 0.33 118.33 117.30 2bjm n VAL 72 Ca -0.06 -2.22 -0.06 0.00 -2.04 0.00 0.00 64.34 59.96 2bjm n VAL 72 Cb 0.60 0.65 -0.08 0.00 -1.47 0.00 0.00 33.84 33.54 2bjm n VAL 72 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2bjm s ASP 73 N -3.44 -0.73 -0.04 -1.34 2.15 0.28 -4.80 116.67 108.75 2bjm s ASP 73 Ca 0.11 1.27 -0.01 0.00 0.43 0.00 0.00 52.55 54.35 2bjm s ASP 73 Cb 0.01 1.52 -0.00 0.00 -0.30 0.00 0.00 42.92 44.15 2bjm s ASP 73 CO 0.08 -0.22 -0.02 0.11 -0.17 0.00 0.00 175.17 174.95 2bjm h LYS 74 N 7.64 0.00 -0.95 4.34 1.57 -1.95 0.56 116.57 127.79 2bjm h LYS 74 Ca -0.24 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.61 2bjm h LYS 74 Cb 1.15 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.39 2bjm h LYS 74 CO 0.16 0.00 0.62 -1.00 -0.57 0.00 0.00 179.45 178.65 2bjm h PRO 75 N -0.37 1.05 0.13 3.15 0.13 -2.01 -2.38 132.00 131.70 2bjm h PRO 75 Ca 0.00 -0.06 -0.25 0.00 -0.87 0.00 0.00 66.00 64.81 2bjm h PRO 75 Cb 0.06 -0.24 0.01 0.00 0.13 0.00 0.00 31.00 30.95 2bjm h PRO 75 CO 0.00 0.69 -1.24 0.66 -0.23 0.00 0.00 178.00 177.88 2bjm h SER 76 N 1.08 0.42 -2.36 1.44 4.64 -2.05 -3.50 113.55 113.22 2bjm h SER 76 Ca 0.42 -0.88 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2bjm h SER 76 Cb 0.23 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2bjm h SER 76 CO -0.17 1.56 0.00 -1.54 -0.87 0.00 0.00 176.83 175.81 2bjm n SER 77 N -3.98 -1.57 -3.87 4.97 3.41 -0.90 -5.04 113.62 106.64 2bjm n SER 77 Ca -0.22 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.28 2bjm n SER 77 Cb 0.88 -0.79 -0.10 0.00 -0.26 0.00 0.00 64.21 63.95 2bjm n SER 77 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2bjm s THR 78 N 0.00 0.08 0.05 6.66 2.01 0.14 -4.27 115.64 120.32 2bjm s THR 78 Ca 0.00 -0.69 -0.05 0.00 0.31 0.00 0.00 61.69 61.27 2bjm s THR 78 Cb 0.00 -0.43 -0.05 0.00 0.01 0.00 0.00 72.50 72.04 2bjm s THR 78 CO 0.00 -0.38 0.28 0.00 -0.69 0.00 0.00 174.62 173.84 2bjm s ALA 79 N -1.37 3.87 0.08 7.40 0.00 -0.52 0.10 121.76 131.32 2bjm s ALA 79 Ca -0.15 -0.63 0.09 0.00 0.00 0.00 0.00 51.96 51.28 2bjm s ALA 79 Cb -0.08 -2.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.98 2bjm s ALA 79 CO 0.02 0.69 -0.24 0.71 0.00 0.00 0.00 175.76 176.94 2bjm s TYR 80 N -1.43 2.10 -0.10 0.00 2.02 0.15 -1.30 117.35 118.79 2bjm s TYR 80 Ca 0.32 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.65 2bjm s TYR 80 Cb -0.13 -1.20 0.02 0.00 -0.40 0.00 0.00 41.96 40.24 2bjm s TYR 80 CO 0.21 0.19 -0.13 1.41 -1.57 0.00 0.00 175.55 175.65 2bjm s MET 81 N -1.57 1.99 -0.12 -0.62 -2.45 -0.22 -1.29 119.30 115.03 2bjm s MET 81 Ca 0.10 -0.48 -0.03 0.00 -1.25 0.00 0.00 55.69 54.03 2bjm s MET 81 Cb -0.10 -1.72 -0.03 0.00 1.25 0.00 0.00 34.83 34.23 2bjm s MET 81 CO 0.03 -0.07 -0.01 -0.65 1.05 0.00 0.00 175.02 175.38 2bjm s GLN 82 N 1.00 3.32 -0.44 4.11 1.11 0.20 -0.12 119.66 128.84 2bjm s GLN 82 Ca -0.07 -0.44 0.02 0.00 0.01 0.00 0.00 55.36 54.88 2bjm s GLN 82 Cb -0.15 -2.87 0.12 0.00 -1.01 0.00 0.00 33.01 29.10 2bjm s GLN 82 CO -0.01 0.50 0.19 -0.51 0.01 0.00 0.00 175.29 175.46 2bjm s LEU 83 N -0.32 4.78 0.52 2.90 1.43 0.49 -1.63 118.68 126.84 2bjm s LEU 83 Ca 0.06 -2.47 -0.12 0.00 -1.03 0.00 0.00 54.13 50.57 2bjm s LEU 83 Cb -0.12 -1.70 -0.06 0.00 0.03 0.00 0.00 46.19 44.34 2bjm s LEU 83 CO 0.02 -0.36 0.93 -0.44 0.23 0.00 0.00 176.35 176.73 2bjm s SER 84 N 0.69 6.44 -1.22 2.29 0.01 -0.32 -1.37 113.70 120.23 2bjm s SER 84 Ca 0.13 1.36 -0.12 0.00 1.31 0.00 0.00 55.95 58.63 2bjm s SER 84 Cb -0.22 -2.43 -0.01 0.00 0.21 0.00 0.00 66.02 63.57 2bjm s SER 84 CO -0.04 -0.63 0.71 -1.54 0.41 0.00 0.00 173.24 172.14 2bjm n SER 85 N -1.96 -3.62 -4.70 2.44 3.41 -1.12 -4.60 113.62 103.47 2bjm n SER 85 Ca 0.05 -0.96 -0.43 0.00 -0.26 0.00 0.00 58.87 57.26 2bjm n SER 85 Cb 0.54 -3.55 -0.02 0.00 -0.26 0.00 0.00 64.21 60.93 2bjm n SER 85 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2bjm n LEU 86 N -4.19 3.67 -4.68 1.04 4.77 0.97 -4.60 117.00 113.99 2bjm n LEU 86 Ca -0.17 1.15 -0.24 0.00 -0.03 0.00 0.00 56.01 56.71 2bjm n LEU 86 Cb 0.63 -1.50 -0.08 0.00 -2.33 0.00 0.00 43.42 40.14 2bjm n LEU 86 CO 0.68 -0.21 -0.25 0.42 -1.33 0.00 0.00 177.39 176.71 2bjm s THR 87 N -0.08 2.72 0.19 -5.08 -4.23 -1.26 0.50 115.64 108.40 2bjm s THR 87 Ca 0.66 -1.84 0.35 0.00 -1.18 0.00 0.00 61.69 59.68 2bjm s THR 87 Cb -0.58 -2.89 0.40 0.00 1.34 0.00 0.00 72.50 70.77 2bjm s THR 87 CO 0.50 -0.17 2.04 0.77 -0.54 0.00 0.00 174.62 177.22 2bjm h SER 88 N 1.67 0.00 1.08 3.99 4.64 -1.95 -2.44 113.55 120.54 2bjm h SER 88 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2bjm h SER 88 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2bjm h SER 88 CO 0.66 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 176.00 2bjm n GLU 89 N -3.09 0.12 0.00 4.77 4.71 -1.26 -3.40 120.64 122.49 2bjm n GLU 89 Ca 0.00 0.17 0.14 0.00 -0.01 0.00 0.00 57.16 57.46 2bjm n GLU 89 Cb 0.27 -1.66 0.64 0.00 -1.01 0.00 0.00 31.44 29.67 2bjm n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2bjm n ASP 90 N -1.89 0.05 -4.65 1.62 8.00 -0.92 -4.85 116.55 113.92 2bjm n ASP 90 Ca 0.05 0.24 -0.43 0.00 0.71 0.00 0.00 54.79 55.37 2bjm n ASP 90 Cb 0.34 -0.38 -0.03 0.00 -0.02 0.00 0.00 41.12 41.03 2bjm n ASP 90 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2bjm s SER 91 N -2.86 6.57 0.03 -2.24 0.15 -1.22 -4.92 113.70 109.22 2bjm s SER 91 Ca 0.18 1.98 -0.07 0.00 0.70 0.00 0.00 55.95 58.75 2bjm s SER 91 Cb 0.19 -2.53 0.02 0.00 -1.71 0.00 0.00 66.02 61.99 2bjm s SER 91 CO 0.52 -1.04 0.31 0.00 1.20 0.00 0.00 173.24 174.23 2bjm n ALA 92 N 7.62 -0.84 -3.19 5.45 0.00 -1.10 -4.91 120.51 123.53 2bjm n ALA 92 Ca 0.18 -0.27 -0.36 0.00 0.00 0.00 0.00 53.44 52.99 2bjm n ALA 92 Cb 0.44 0.12 -0.13 0.00 0.00 0.00 0.00 19.45 19.88 2bjm n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2bjm s VAL 93 N -2.33 4.03 -0.31 0.00 1.01 -0.64 -1.12 120.40 121.03 2bjm s VAL 93 Ca 0.07 -0.30 -0.13 0.00 0.00 0.00 0.00 61.98 61.63 2bjm s VAL 93 Cb -0.01 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 2bjm s VAL 93 CO 0.01 0.35 0.25 -0.31 0.00 0.00 0.00 175.10 175.40 2bjm s TYR 94 N 1.57 3.22 -0.09 5.22 2.02 -0.15 -0.85 117.35 128.30 2bjm s TYR 94 Ca 0.06 -0.02 -0.12 0.00 -0.37 0.00 0.00 57.07 56.62 2bjm s TYR 94 Cb -0.15 -2.48 -0.05 0.00 -0.40 0.00 0.00 41.96 38.88 2bjm s TYR 94 CO 0.02 -0.29 0.30 0.71 -1.57 0.00 0.00 175.55 174.71 2bjm s TYR 95 N 1.81 3.60 -0.04 2.71 2.02 0.14 -0.71 117.35 126.87 2bjm s TYR 95 Ca 0.08 0.73 -0.01 0.00 -0.37 0.00 0.00 57.07 57.49 2bjm s TYR 95 Cb -0.17 -2.22 -0.04 0.00 -0.40 0.00 0.00 41.96 39.14 2bjm s TYR 95 CO 0.11 0.52 0.05 0.00 -1.57 0.00 0.00 175.55 174.66 2bjm s ALA 97 N -1.07 0.19 0.00 0.00 0.00 -1.03 -0.55 121.76 119.30 2bjm s ALA 97 Ca 0.19 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.26 2bjm s ALA 97 Cb -0.12 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.81 2bjm s ALA 97 CO 0.09 -0.04 0.00 2.89 0.00 0.00 0.00 175.76 178.70 2bjm n ARG 98 N 3.73 1.49 -4.29 0.00 1.85 -1.26 -1.49 116.66 116.68 2bjm n ARG 98 Ca -0.22 0.00 -0.19 0.00 -1.00 0.00 0.00 57.85 56.44 2bjm n ARG 98 Cb 0.54 -0.83 -0.08 0.00 -1.05 0.00 0.00 32.46 31.03 2bjm n ARG 98 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2bjm s MET 99 N -1.66 1.72 1.97 2.89 0.23 -1.26 -4.47 119.30 118.72 2bjm s MET 99 Ca 0.00 -2.00 0.00 0.00 -1.03 0.00 0.00 55.69 52.66 2bjm s MET 99 Cb 0.00 0.25 0.00 0.00 -1.53 0.00 0.00 34.83 33.55 2bjm s MET 99 CO 0.00 -0.62 0.00 -2.67 -2.03 0.00 0.00 175.02 169.70 2bjm n TRP 100 N -0.61 -0.39 -0.70 3.16 4.27 -1.26 -3.99 117.44 117.92 2bjm n TRP 100 Ca 0.06 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.67 2bjm n TRP 100 Cb 0.63 0.10 0.00 0.00 -1.36 0.00 0.00 31.31 30.68 2bjm n TRP 100 CO 0.00 0.00 0.00 0.66 -2.29 0.00 0.00 177.69 176.06 2bjm n TYR 101 N 0.00 0.00 -0.02 -2.67 4.01 -1.26 -4.31 117.16 112.91 2bjm n TYR 101 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.57 2bjm n TYR 101 Cb 0.00 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 38.89 2bjm n TYR 101 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 2bjm n TYR 102 N -2.68 1.00 0.00 -0.72 9.36 -1.26 -4.97 117.16 117.88 2bjm n TYR 102 Ca 0.00 0.25 0.00 0.00 3.32 0.00 0.00 57.90 61.47 2bjm n TYR 102 Cb 0.00 -1.15 0.00 0.00 -0.63 0.00 0.00 39.34 37.56 2bjm n TYR 102 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2bjm n GLY 103 N 1.89 -0.83 0.17 2.98 0.00 -1.26 -5.16 105.19 102.99 2bjm n GLY 103 Ca -0.29 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.72 2bjm n GLY 103 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2bjm n THR 104 N 0.00 0.00 -0.78 2.61 5.66 -1.26 -5.14 114.28 115.36 2bjm n THR 104 Ca 0.00 -0.09 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 2bjm n THR 104 Cb 0.00 -0.89 0.00 0.00 -1.55 0.00 0.00 70.33 67.89 2bjm n THR 104 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 2bjm n TYR 105 N -0.97 -2.12 -4.91 1.09 4.01 -1.26 -4.81 117.16 108.18 2bjm n TYR 105 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2bjm n TYR 105 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 2bjm n TYR 105 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2bjm n TYR 106 N -1.03 -1.38 -3.78 -0.72 0.53 -1.26 -4.83 117.16 104.69 2bjm n TYR 106 Ca 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 57.90 56.78 2bjm n TYR 106 Cb 0.00 0.23 -0.07 0.00 -1.03 0.00 0.00 39.34 38.47 2bjm n TYR 106 CO 0.00 0.00 0.00 -0.59 -1.02 0.00 0.00 176.86 175.25 2bjm s PHE 107 N 0.00 -0.02 0.92 -0.72 -0.71 -1.26 -4.93 117.98 111.26 2bjm s PHE 107 Ca 0.00 -0.24 -0.12 0.00 -1.04 0.00 0.00 56.93 55.53 2bjm s PHE 107 Cb 0.00 0.06 0.06 0.00 -1.21 0.00 0.00 43.02 41.93 2bjm s PHE 107 CO 0.00 -0.54 0.64 -0.40 -1.34 0.00 0.00 175.22 173.58 2bjm n ASP 108 N 0.27 -1.25 -3.95 1.98 3.85 -1.26 -4.72 116.55 111.48 2bjm n ASP 108 Ca -0.17 0.39 -0.30 0.00 -0.71 0.00 0.00 54.79 53.99 2bjm n ASP 108 Cb 0.61 -1.29 -0.16 0.00 -1.35 0.00 0.00 41.12 38.93 2bjm n ASP 108 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.20 175.72 2bjm s TYR 109 N -2.40 2.46 0.11 2.11 5.04 -1.26 -4.92 117.35 118.49 2bjm s TYR 109 Ca 0.61 -1.79 -0.33 0.00 -2.44 0.00 0.00 57.07 53.12 2bjm s TYR 109 Cb -0.23 -1.61 -0.12 0.00 0.35 0.00 0.00 41.96 40.35 2bjm s TYR 109 CO 0.63 -0.78 1.73 1.87 -1.34 0.00 0.00 175.55 177.66 2bjm n TRP 110 N 4.65 2.46 -0.31 4.97 -0.00 -1.26 -4.36 117.44 123.59 2bjm n TRP 110 Ca -0.12 0.06 -0.08 0.00 -0.00 0.00 0.00 57.50 57.36 2bjm n TRP 110 Cb 0.44 -2.64 0.07 0.00 -0.00 0.00 0.00 31.31 29.18 2bjm n TRP 110 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2bjm n GLY 111 N 3.91 -1.65 0.01 5.87 0.00 0.29 -4.76 105.19 108.86 2bjm n GLY 111 Ca 0.18 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.77 2bjm n GLY 111 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2bjm n GLN 112 N -0.81 0.10 -0.09 1.61 3.00 -1.26 -4.80 117.38 115.14 2bjm n GLN 112 Ca 0.03 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2bjm n GLN 112 Cb 0.15 -1.52 0.00 0.00 0.00 0.00 0.00 30.24 28.87 2bjm n GLN 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2bjm n GLY 113 N 1.46 -0.42 3.61 1.08 0.00 -1.26 -5.00 105.19 104.65 2bjm n GLY 113 Ca 0.03 -1.14 -0.40 0.00 0.00 0.00 0.00 46.02 44.52 2bjm n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bjm s THR 114 N -0.22 5.11 -0.35 2.61 2.01 0.11 -4.81 115.64 120.11 2bjm s THR 114 Ca 0.00 0.69 -0.29 0.00 0.31 0.00 0.00 61.69 62.40 2bjm s THR 114 Cb 0.00 -3.78 0.01 0.00 0.01 0.00 0.00 72.50 68.75 2bjm s THR 114 CO 0.00 0.10 1.18 -0.89 -0.69 0.00 0.00 174.62 174.31 2bjm s THR 115 N 2.20 4.31 -0.28 -0.82 2.01 -0.93 -0.98 115.64 121.14 2bjm s THR 115 Ca 0.18 1.46 -0.10 0.00 0.31 0.00 0.00 61.69 63.54 2bjm s THR 115 Cb -0.16 -4.36 -0.04 0.00 0.01 0.00 0.00 72.50 67.96 2bjm s THR 115 CO 0.10 -0.59 0.16 -0.22 -0.69 0.00 0.00 174.62 173.38 2bjm s LEU 116 N 4.11 3.95 -0.05 4.42 2.96 -0.28 -0.96 118.68 132.83 2bjm s LEU 116 Ca 0.50 -0.17 -0.07 0.00 -0.22 0.00 0.00 54.13 54.17 2bjm s LEU 116 Cb -0.13 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 2bjm s LEU 116 CO 0.22 -0.09 0.21 -0.89 -1.32 0.00 0.00 176.35 174.48 2bjm s THR 117 N 1.70 5.39 -0.21 3.68 2.01 -0.40 -2.71 115.64 125.10 2bjm s THR 117 Ca 0.06 0.17 -0.07 0.00 0.31 0.00 0.00 61.69 62.17 2bjm s THR 117 Cb -0.16 -3.51 0.09 0.00 0.01 0.00 0.00 72.50 68.94 2bjm s THR 117 CO 0.08 0.47 0.44 -0.69 -0.69 0.00 0.00 174.62 174.24 2bjm s VAL 118 N -1.18 -0.68 0.10 3.82 1.01 -1.26 -1.39 120.40 120.81 2bjm s VAL 118 Ca 0.22 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.39 2bjm s VAL 118 Cb -0.13 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 2bjm s VAL 118 CO 0.12 0.06 -0.11 -0.94 0.00 0.00 0.00 175.10 174.23 2bjm s SER 119 N 2.64 1.50 0.00 3.32 1.04 -1.26 -4.73 113.70 116.21 2bjm s SER 119 Ca -0.02 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.62 2bjm s SER 119 Cb -0.12 -0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.00 2bjm s SER 119 CO -0.13 -0.24 0.00 -0.24 0.98 0.00 0.00 173.24 173.61