#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gdd s VAL 17 N 0.00 5.03 -0.80 1.39 1.01 0.11 -4.10 120.40 123.05 2gdd s VAL 17 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.02 2gdd s VAL 17 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.16 2gdd s VAL 17 CO 0.00 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.24 2gdd n GLY 18 N 2.79 0.95 0.00 4.51 0.00 -1.22 -2.51 105.19 109.71 2gdd n GLY 18 Ca -0.18 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2gdd n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gdd n GLY 19 N -1.96 4.32 3.67 -0.02 0.00 -1.26 -4.85 105.19 105.09 2gdd n GLY 19 Ca -0.08 -1.69 -0.06 0.00 0.00 0.00 0.00 46.02 44.20 2gdd n GLY 19 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2gdd s GLN 20 N 4.40 1.16 0.23 1.61 -2.07 -0.61 -4.95 119.66 119.42 2gdd s GLN 20 Ca 0.00 -0.58 -0.32 0.00 -1.82 0.00 0.00 55.36 52.65 2gdd s GLN 20 Cb 0.00 0.44 -0.13 0.00 -1.09 0.00 0.00 33.01 32.23 2gdd s GLN 20 CO 0.00 -0.53 1.46 -1.91 -1.32 0.00 0.00 175.29 173.00 2gdd n GLU 21 N -0.40 2.13 -2.78 9.60 2.13 -1.26 -1.49 120.64 128.57 2gdd n GLU 21 Ca -0.08 0.76 -0.40 0.00 0.66 0.00 0.00 57.16 58.10 2gdd n GLU 21 Cb 0.61 -2.45 -0.05 0.00 0.27 0.00 0.00 31.44 29.82 2gdd n GLU 21 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2gdd s ALA 22 N 0.15 3.31 0.64 4.31 0.00 -0.06 -4.84 121.76 125.28 2gdd s ALA 22 Ca 0.70 0.56 -0.17 0.00 0.00 0.00 0.00 51.96 53.04 2gdd s ALA 22 Cb -0.64 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.24 2gdd s ALA 22 CO 0.47 0.10 0.89 -2.30 0.00 0.00 0.00 175.76 174.92 2gdd n PRO 23 N 2.18 0.70 0.28 0.00 -0.02 -1.26 -4.83 135.00 132.06 2gdd n PRO 23 Ca -0.00 0.28 0.18 0.00 -2.02 0.00 0.00 63.50 61.94 2gdd n PRO 23 Cb 0.48 -2.11 0.96 0.00 -0.02 0.00 0.00 33.50 32.81 2gdd n PRO 23 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2gdd h ARG 24 N 0.18 0.00 -0.34 -0.52 2.43 -2.00 -2.48 114.38 111.65 2gdd h ARG 24 Ca -0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 2gdd h ARG 24 Cb 1.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.91 2gdd h ARG 24 CO 0.49 0.00 0.00 -1.13 -1.51 0.00 0.00 179.97 177.82 2gdd n SER 25 N -3.54 3.19 -4.89 -3.80 3.41 -1.26 -4.94 113.62 101.79 2gdd n SER 25 Ca -0.01 -1.96 -0.29 0.00 -0.26 0.00 0.00 58.87 56.34 2gdd n SER 25 Cb 0.18 -0.21 -0.04 0.00 -0.26 0.00 0.00 64.21 63.88 2gdd n SER 25 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2gdd s LYS 26 N -1.57 3.31 -1.15 4.33 -0.14 -0.94 -4.66 119.74 118.91 2gdd s LYS 26 Ca 0.37 -0.55 -0.05 0.00 -1.36 0.00 0.00 55.97 54.38 2gdd s LYS 26 Cb 0.22 -2.94 -0.03 0.00 -1.68 0.00 0.00 37.83 33.40 2gdd s LYS 26 CO 0.31 0.57 0.89 0.91 -0.76 0.00 0.00 175.35 177.28 2gdd n TRP 27 N 0.07 -2.22 0.57 3.18 5.03 -1.26 -4.88 117.44 117.92 2gdd n TRP 27 Ca -0.06 0.84 0.06 0.00 3.03 0.00 0.00 57.50 61.37 2gdd n TRP 27 Cb 0.52 -4.41 0.31 0.00 -1.03 0.00 0.00 31.31 26.70 2gdd n TRP 27 CO 0.00 0.00 0.00 -0.35 -0.03 0.00 0.00 177.69 177.31 2gdd n PRO 28 N -3.80 0.15 0.02 -0.99 -0.04 -1.26 -2.69 135.00 126.40 2gdd n PRO 28 Ca -0.18 0.18 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 2gdd n PRO 28 Cb 0.64 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.53 2gdd n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2gdd n TRP 29 N -1.31 0.20 -1.66 0.54 2.14 -1.17 -2.52 117.44 113.67 2gdd n TRP 29 Ca 0.05 0.06 -0.46 0.00 2.07 0.00 0.00 57.50 59.23 2gdd n TRP 29 Cb 0.10 -0.44 -0.03 0.00 -0.81 0.00 0.00 31.31 30.13 2gdd n TRP 29 CO 0.00 0.00 0.00 0.94 2.07 0.00 0.00 177.69 180.70 2gdd n GLN 30 N -2.07 1.92 -4.23 -2.67 -0.06 -1.09 -1.32 117.38 107.86 2gdd n GLN 30 Ca -0.00 0.68 -0.16 0.00 -2.00 0.00 0.00 57.00 55.52 2gdd n GLN 30 Cb 0.48 -2.33 -0.11 0.00 -4.06 0.00 0.00 30.24 24.22 2gdd n GLN 30 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 2gdd s VAL 31 N 0.04 1.18 -0.11 1.69 1.01 -0.76 -2.25 120.40 121.21 2gdd s VAL 31 Ca 0.70 -1.78 0.03 0.00 0.00 0.00 0.00 61.98 60.93 2gdd s VAL 31 Cb -0.69 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.14 2gdd s VAL 31 CO 0.49 -0.54 -0.22 -0.55 0.00 0.00 0.00 175.10 174.27 2gdd s SER 32 N -2.63 3.02 -0.06 3.32 0.15 0.11 -1.97 113.70 115.63 2gdd s SER 32 Ca 0.10 -0.56 -0.19 0.00 0.70 0.00 0.00 55.95 56.00 2gdd s SER 32 Cb -0.03 -1.39 -0.05 0.00 -1.71 0.00 0.00 66.02 62.85 2gdd s SER 32 CO 0.02 0.12 0.51 -0.76 1.20 0.00 0.00 173.24 174.33 2gdd s LEU 33 N 0.55 4.35 -0.00 3.45 1.02 0.31 -0.98 118.68 127.37 2gdd s LEU 33 Ca -0.14 0.96 0.08 0.00 0.02 0.00 0.00 54.13 55.05 2gdd s LEU 33 Cb -0.17 -2.76 -0.02 0.00 0.02 0.00 0.00 46.19 43.26 2gdd s LEU 33 CO 0.04 0.07 -0.26 -0.13 0.02 0.00 0.00 176.35 176.10 2gdd s ARG 34 N 0.13 2.01 -0.02 1.70 1.81 -0.26 -1.68 118.95 122.64 2gdd s ARG 34 Ca 0.28 -0.96 0.06 0.00 -1.72 0.00 0.00 55.73 53.38 2gdd s ARG 34 Cb -0.16 -2.00 -0.02 0.00 -0.45 0.00 0.00 34.95 32.31 2gdd s ARG 34 CO 0.13 0.54 -0.20 0.54 -0.68 0.00 0.00 175.30 175.63 2gdd s VAL 35 N -0.65 2.60 0.11 3.52 0.11 -0.26 -1.82 120.40 124.01 2gdd s VAL 35 Ca 0.10 -0.97 -0.31 0.00 -2.93 0.00 0.00 61.98 57.87 2gdd s VAL 35 Cb -0.10 -2.00 -0.08 0.00 -1.53 0.00 0.00 36.38 32.68 2gdd s VAL 35 CO -0.00 0.53 1.35 -2.28 -3.33 0.00 0.00 175.10 171.37 2gdd s HIS 36 N -0.72 3.28 0.00 1.54 2.46 -0.57 -2.09 115.29 119.19 2gdd s HIS 36 Ca 0.11 1.03 0.00 0.00 0.47 0.00 0.00 55.06 56.67 2gdd s HIS 36 Cb -0.10 -3.63 0.00 0.00 -0.13 0.00 0.00 32.58 28.71 2gdd s HIS 36 CO 0.01 -2.17 0.00 0.41 -2.47 0.00 0.00 174.74 170.51 2gdd n GLY 37 N 3.38 2.48 0.41 1.59 0.00 -1.26 -4.96 105.19 106.83 2gdd n GLY 37 Ca 0.11 -0.43 0.22 0.00 0.00 0.00 0.00 46.02 45.92 2gdd n GLY 37 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2gdd h PRO 37 N 0.00 0.00 -2.53 1.61 0.11 -2.04 -3.41 132.00 125.74 2gdd h PRO 37 Ca 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 2gdd h PRO 37 Cb 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 30.95 2gdd h PRO 37 CO 0.00 0.00 0.17 1.52 -0.21 0.00 0.00 178.00 179.48 2gdd s TYR 37 N -4.65 -0.57 -0.83 0.65 1.13 -1.26 -5.08 117.35 106.74 2gdd s TYR 37 Ca -0.04 0.70 -0.25 0.00 -1.41 0.00 0.00 57.07 56.07 2gdd s TYR 37 Cb 0.16 0.46 -0.07 0.00 -1.10 0.00 0.00 41.96 41.42 2gdd s TYR 37 CO 0.57 -0.71 2.06 -1.58 -2.51 0.00 0.00 175.55 173.38 2gdd s TRP 38 N -2.43 1.60 0.15 -3.49 0.52 -1.26 -4.74 118.94 109.29 2gdd s TRP 38 Ca -0.05 1.00 -0.23 0.00 0.02 0.00 0.00 56.10 56.84 2gdd s TRP 38 Cb -0.01 -3.89 -0.08 0.00 -1.15 0.00 0.00 33.47 28.35 2gdd s TRP 38 CO -0.01 -1.80 0.73 1.41 0.02 0.00 0.00 176.95 177.30 2gdd s MET 39 N 7.50 4.46 0.20 4.98 1.75 -0.89 -4.72 119.30 132.58 2gdd s MET 39 Ca 0.76 1.04 -0.30 0.00 -1.25 0.00 0.00 55.69 55.94 2gdd s MET 39 Cb -0.09 -3.21 -0.09 0.00 2.84 0.00 0.00 34.83 34.28 2gdd s MET 39 CO 0.05 0.56 1.40 -1.58 -0.65 0.00 0.00 175.02 174.80 2gdd s HIS 40 N -1.19 3.14 0.00 4.11 2.46 -1.26 -1.10 115.29 121.45 2gdd s HIS 40 Ca 0.35 1.05 0.00 0.00 0.47 0.00 0.00 55.06 56.93 2gdd s HIS 40 Cb -0.22 -3.73 0.00 0.00 -0.13 0.00 0.00 32.58 28.50 2gdd s HIS 40 CO 0.24 -2.42 0.00 1.97 -2.47 0.00 0.00 174.74 172.06 2gdd n PHE 41 N 2.82 0.00 -3.57 3.88 -1.74 -0.68 -4.93 117.46 113.24 2gdd n PHE 41 Ca 0.08 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.89 2gdd n PHE 41 Cb 0.41 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.39 2gdd n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2gdd s GLY 43 N -2.71 1.70 0.14 0.00 0.00 0.21 -0.53 107.32 106.14 2gdd s GLY 43 Ca 0.06 -2.17 -0.23 0.00 0.00 0.00 0.00 44.72 42.38 2gdd s GLY 43 CO -0.06 -1.65 1.10 -0.32 0.00 0.00 0.00 173.10 172.17 2gdd s GLY 44 N -4.72 0.09 -0.07 0.20 0.00 -0.83 -3.80 107.32 98.19 2gdd s GLY 44 Ca 0.63 -0.30 -0.05 0.00 0.00 0.00 0.00 44.72 45.01 2gdd s GLY 44 CO 0.41 3.41 0.17 -1.35 0.00 0.00 0.00 173.10 175.73 2gdd s SER 45 N -3.54 -0.17 -0.42 1.64 1.04 -0.59 -1.82 113.70 109.84 2gdd s SER 45 Ca 0.24 0.35 -0.29 0.00 0.48 0.00 0.00 55.95 56.73 2gdd s SER 45 Cb -0.02 0.30 0.03 0.00 0.10 0.00 0.00 66.02 66.42 2gdd s SER 45 CO 0.04 -0.10 1.12 -0.22 0.98 0.00 0.00 173.24 175.06 2gdd s LEU 46 N 0.61 3.74 0.00 2.42 2.96 -0.44 -0.58 118.68 127.40 2gdd s LEU 46 Ca -0.04 0.69 0.13 0.00 -0.22 0.00 0.00 54.13 54.69 2gdd s LEU 46 Cb -0.06 -3.55 0.10 0.00 0.50 0.00 0.00 46.19 43.19 2gdd s LEU 46 CO -0.03 -1.12 0.92 2.30 -1.32 0.00 0.00 176.35 177.11 2gdd n ILE 47 N 6.48 0.00 -3.58 6.68 -5.35 -0.42 -1.13 119.36 122.04 2gdd n ILE 47 Ca 0.12 -0.50 -0.12 0.00 -0.27 0.00 0.00 62.75 61.98 2gdd n ILE 47 Cb 0.48 1.28 -0.06 0.00 -1.74 0.00 0.00 39.64 39.60 2gdd n ILE 47 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 2gdd s HIS 48 N -1.14 -0.49 0.55 4.28 5.04 -1.16 -4.71 115.29 117.67 2gdd s HIS 48 Ca 0.16 0.94 0.45 0.00 -1.54 0.00 0.00 55.06 55.07 2gdd s HIS 48 Cb 0.11 0.41 1.66 0.00 0.04 0.00 0.00 32.58 34.80 2gdd s HIS 48 CO 0.17 -0.38 1.66 -1.35 -2.34 0.00 0.00 174.74 172.49 2gdd h PRO 49 N 3.16 0.01 0.00 2.88 0.11 -1.93 0.34 132.00 136.57 2gdd h PRO 49 Ca -0.23 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2gdd h PRO 49 Cb 1.16 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2gdd h PRO 49 CO 0.27 0.00 -0.01 0.94 -0.21 0.00 0.00 178.00 178.99 2gdd n GLN 50 N -4.06 2.32 -4.25 1.05 7.27 -1.26 -0.79 117.38 117.66 2gdd n GLN 50 Ca 0.38 -1.70 -0.20 0.00 0.07 0.00 0.00 57.00 55.54 2gdd n GLN 50 Cb 1.73 -1.09 -0.16 0.00 2.41 0.00 0.00 30.24 33.13 2gdd n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2gdd s TRP 51 N -1.39 0.82 -0.15 3.69 0.52 0.11 -1.21 118.94 121.32 2gdd s TRP 51 Ca 0.08 -0.23 -0.03 0.00 0.02 0.00 0.00 56.10 55.95 2gdd s TRP 51 Cb 0.07 -0.67 -0.02 0.00 -1.15 0.00 0.00 33.47 31.70 2gdd s TRP 51 CO 0.01 -0.17 -0.06 0.08 0.02 0.00 0.00 176.95 176.83 2gdd s VAL 52 N 0.68 3.65 -0.10 4.03 1.01 -0.02 -1.30 120.40 128.35 2gdd s VAL 52 Ca -0.10 -0.44 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 2gdd s VAL 52 Cb -0.13 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 2gdd s VAL 52 CO 0.01 0.50 0.27 -0.22 0.00 0.00 0.00 175.10 175.66 2gdd s LEU 53 N 0.38 4.36 0.00 3.92 2.96 0.26 -0.24 118.68 130.32 2gdd s LEU 53 Ca -0.06 0.62 -0.06 0.00 -0.22 0.00 0.00 54.13 54.41 2gdd s LEU 53 Cb -0.15 -2.32 0.03 0.00 0.50 0.00 0.00 46.19 44.24 2gdd s LEU 53 CO 0.04 0.27 0.54 1.07 -1.32 0.00 0.00 176.35 176.95 2gdd n THR 54 N 2.54 0.00 -3.07 3.68 5.66 -0.52 -1.54 114.28 121.03 2gdd n THR 54 Ca -0.15 -1.32 -0.39 0.00 -3.05 0.00 0.00 64.05 59.14 2gdd n THR 54 Cb 0.53 0.94 -0.05 0.00 -1.55 0.00 0.00 70.33 70.20 2gdd n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2gdd s ALA 55 N -2.38 3.41 0.31 1.79 0.00 -1.26 -0.16 121.76 123.47 2gdd s ALA 55 Ca 0.21 0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.35 2gdd s ALA 55 Cb -0.02 -2.89 0.54 0.00 0.00 0.00 0.00 23.12 20.74 2gdd s ALA 55 CO 0.15 0.09 1.93 0.00 0.00 0.00 0.00 175.76 177.93 2gdd h ALA 56 N 5.75 1.51 0.00 0.00 0.00 -1.69 -1.23 119.26 123.61 2gdd h ALA 56 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2gdd h ALA 56 Cb 1.20 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2gdd h ALA 56 CO 0.71 0.37 0.00 -2.39 0.00 0.00 0.00 179.25 177.94 2gdd n HIS 57 N -4.47 0.51 0.13 0.00 1.44 -1.26 -0.88 115.22 110.68 2gdd n HIS 57 Ca 0.12 0.23 -0.01 0.00 -2.01 0.00 0.00 57.72 56.05 2gdd n HIS 57 Cb 0.17 -0.86 0.13 0.00 0.12 0.00 0.00 29.99 29.54 2gdd n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2gdd n VAL 59 N -3.65 1.01 -2.95 0.00 0.24 -0.53 -5.01 118.33 107.44 2gdd n VAL 59 Ca -0.01 -1.22 0.00 0.00 -2.04 0.00 0.00 64.34 61.07 2gdd n VAL 59 Cb 0.67 0.11 0.00 0.00 -1.47 0.00 0.00 33.84 33.14 2gdd n VAL 59 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2gdd n GLY 60 N -0.76 1.97 0.23 7.63 0.00 -0.06 -4.58 105.19 109.62 2gdd n GLY 60 Ca 0.09 -0.95 0.10 0.00 0.00 0.00 0.00 46.02 45.26 2gdd n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gdd h PRO 60 N 0.00 0.00 -6.91 1.61 0.13 -1.80 -3.40 132.00 121.63 2gdd h PRO 60 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 2gdd h PRO 60 Cb 0.00 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.17 2gdd h PRO 60 CO 0.00 0.21 0.51 -0.51 -0.23 0.00 0.00 178.00 177.98 2gdd s ASP 60 N -6.29 6.73 0.33 1.44 1.01 -1.26 -4.96 116.67 113.68 2gdd s ASP 60 Ca -0.02 2.36 -0.29 0.00 0.71 0.00 0.00 52.55 55.31 2gdd s ASP 60 Cb 0.12 -2.62 -0.11 0.00 1.01 0.00 0.00 42.92 41.32 2gdd s ASP 60 CO 0.63 -0.53 1.55 -0.69 0.21 0.00 0.00 175.17 176.34 2gdd s VAL 60 N -1.34 2.05 0.35 -1.27 1.01 -1.26 -5.02 120.40 114.93 2gdd s VAL 60 Ca 0.53 0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.64 2gdd s VAL 60 Cb -0.32 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 2gdd s VAL 60 CO 0.40 0.01 0.20 -0.54 0.00 0.00 0.00 175.10 175.17 2gdd s LYS 60 N -1.20 2.45 -0.27 2.72 -0.14 -1.26 -5.09 119.74 116.95 2gdd s LYS 60 Ca 0.59 -1.52 -0.15 0.00 -1.36 0.00 0.00 55.97 53.53 2gdd s LYS 60 Cb -0.47 -2.24 -0.04 0.00 -1.68 0.00 0.00 37.83 33.40 2gdd s LYS 60 CO 0.55 0.06 0.39 0.34 -0.76 0.00 0.00 175.35 175.93 2gdd s ASP 60 N -3.91 6.27 0.33 2.83 3.68 -1.26 -4.96 116.67 119.65 2gdd s ASP 60 Ca 0.40 0.31 0.03 0.00 2.13 0.00 0.00 52.55 55.41 2gdd s ASP 60 Cb -0.03 -2.22 0.63 0.00 -1.45 0.00 0.00 42.92 39.86 2gdd s ASP 60 CO 0.24 -0.20 1.95 -0.07 0.13 0.00 0.00 175.17 177.22 2gdd h LEU 61 N 8.63 0.78 -1.49 -1.34 4.07 -1.95 -2.23 115.31 121.77 2gdd h LEU 61 Ca -0.31 -0.00 0.23 0.00 0.08 0.00 0.00 57.88 57.87 2gdd h LEU 61 Cb 1.16 -0.17 -0.07 0.00 1.08 0.00 0.00 40.66 42.66 2gdd h LEU 61 CO 0.65 0.51 0.63 0.00 -1.08 0.00 0.00 178.44 179.15 2gdd h ALA 62 N 1.56 2.26 -0.11 1.53 0.00 -1.93 0.65 119.26 123.22 2gdd h ALA 62 Ca 0.33 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2gdd h ALA 62 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2gdd h ALA 62 CO -0.11 -0.58 0.00 0.00 0.00 0.00 0.00 179.25 178.56 2gdd n ALA 63 N -2.52 2.53 -2.33 0.00 0.00 -0.84 -4.87 120.51 112.49 2gdd n ALA 63 Ca 0.21 -0.30 -0.31 0.00 0.00 0.00 0.00 53.44 53.05 2gdd n ALA 63 Cb 0.77 -1.11 -0.15 0.00 0.00 0.00 0.00 19.45 18.96 2gdd n ALA 63 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2gdd s LEU 64 N -1.33 2.11 0.05 0.00 2.96 0.22 -1.51 118.68 121.17 2gdd s LEU 64 Ca 0.22 -0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 53.59 2gdd s LEU 64 Cb 0.11 -1.33 -0.02 0.00 0.50 0.00 0.00 46.19 45.45 2gdd s LEU 64 CO 0.17 0.30 0.04 -0.13 -1.32 0.00 0.00 176.35 175.41 2gdd s ARG 65 N -0.84 0.59 -0.04 1.98 1.81 -0.76 -4.13 118.95 117.55 2gdd s ARG 65 Ca 0.11 -0.95 0.07 0.00 -1.72 0.00 0.00 55.73 53.23 2gdd s ARG 65 Cb -0.10 0.22 -0.01 0.00 -0.45 0.00 0.00 34.95 34.61 2gdd s ARG 65 CO 0.00 -0.13 -0.25 0.08 -0.68 0.00 0.00 175.30 174.32 2gdd s VAL 66 N -3.14 2.01 -0.13 3.52 1.01 0.86 -1.10 120.40 123.43 2gdd s VAL 66 Ca -0.00 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 60.95 2gdd s VAL 66 Cb 0.02 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.72 2gdd s VAL 66 CO -0.07 0.56 -0.23 -1.58 0.00 0.00 0.00 175.10 173.79 2gdd s GLN 67 N -0.30 3.03 0.90 2.72 2.00 -0.16 -0.18 119.66 127.67 2gdd s GLN 67 Ca 0.01 -0.86 -0.12 0.00 -2.00 0.00 0.00 55.36 52.38 2gdd s GLN 67 Cb -0.12 -2.39 0.18 0.00 0.80 0.00 0.00 33.01 31.48 2gdd s GLN 67 CO 0.02 0.04 1.24 -0.51 -0.50 0.00 0.00 175.29 175.59 2gdd s LEU 68 N 0.67 2.78 -0.21 3.68 1.43 -1.26 0.09 118.68 125.86 2gdd s LEU 68 Ca -0.11 0.11 -0.20 0.00 -1.03 0.00 0.00 54.13 52.91 2gdd s LEU 68 Cb -0.16 -2.22 -0.08 0.00 0.03 0.00 0.00 46.19 43.75 2gdd s LEU 68 CO 0.01 -2.53 0.69 -1.14 0.23 0.00 0.00 176.35 173.62 2gdd n ARG 69 N -3.54 0.00 -3.74 1.70 3.00 -0.95 -4.74 116.66 108.38 2gdd n ARG 69 Ca 0.15 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.84 2gdd n ARG 69 Cb 0.60 -0.63 -0.16 0.00 0.00 0.00 0.00 32.46 32.26 2gdd n ARG 69 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2gdd s GLU 70 N 1.36 -0.03 0.15 -0.14 2.12 -1.26 -5.05 118.70 115.84 2gdd s GLU 70 Ca 0.45 0.26 -0.15 0.00 0.36 0.00 0.00 54.97 55.89 2gdd s GLU 70 Cb -0.63 -0.30 0.03 0.00 0.26 0.00 0.00 34.13 33.48 2gdd s GLU 70 CO 0.34 -0.21 1.71 1.96 -0.54 0.00 0.00 175.26 178.52 2gdd h GLN 71 N 7.58 0.69 -4.06 4.30 1.08 -1.93 -3.40 115.11 119.38 2gdd h GLN 71 Ca -0.37 -0.12 -0.50 0.00 -1.45 0.00 0.00 58.65 56.22 2gdd h GLN 71 Cb 1.12 -0.12 -0.37 0.00 -0.05 0.00 0.00 27.48 28.06 2gdd h GLN 71 CO 0.39 0.61 -0.79 -1.01 -0.95 0.00 0.00 178.83 177.08 2gdd s HIS 72 N -5.61 1.20 0.41 2.96 3.76 -1.26 -1.30 115.29 115.46 2gdd s HIS 72 Ca -0.13 -0.54 -0.25 0.00 -0.15 0.00 0.00 55.06 53.99 2gdd s HIS 72 Cb 0.11 -1.08 -0.11 0.00 1.11 0.00 0.00 32.58 32.62 2gdd s HIS 72 CO 0.76 -0.44 1.10 1.28 -0.85 0.00 0.00 174.74 176.60 2gdd n LEU 73 N 4.97 3.03 0.00 0.89 4.77 -0.18 -2.48 117.00 128.01 2gdd n LEU 73 Ca -0.11 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.95 2gdd n LEU 73 Cb 0.50 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.19 2gdd n LEU 73 CO 0.15 -1.17 0.00 -1.22 -1.33 0.00 0.00 177.39 173.82 2gdd n TYR 74 N -0.30 0.00 0.13 -1.77 4.01 -1.26 -4.80 117.16 113.16 2gdd n TYR 74 Ca 0.08 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.77 2gdd n TYR 74 Cb 0.38 -0.20 -0.03 0.00 -0.31 0.00 0.00 39.34 39.19 2gdd n TYR 74 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 2gdd h TYR 75 N 0.00 -0.33 -1.70 -0.72 -0.00 -1.85 -3.37 116.97 109.00 2gdd h TYR 75 Ca 0.00 -0.01 -0.69 0.00 -0.00 0.00 0.00 58.73 58.03 2gdd h TYR 75 Cb 0.00 0.11 -0.33 0.00 -0.00 0.00 0.00 36.73 36.51 2gdd h TYR 75 CO 0.00 -0.21 0.40 1.04 -0.00 0.00 0.00 178.16 179.39 2gdd n GLN 79 N -3.79 3.00 -1.70 1.82 1.13 -1.26 -5.05 117.38 111.53 2gdd n GLN 79 Ca -0.04 -3.84 -0.44 0.00 -1.94 0.00 0.00 57.00 50.74 2gdd n GLN 79 Cb 0.14 -2.27 -0.03 0.00 0.11 0.00 0.00 30.24 28.20 2gdd n GLN 79 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2gdd n ASP 80 N -0.57 3.29 -3.12 1.08 9.92 -1.26 -4.96 116.55 120.93 2gdd n ASP 80 Ca 0.50 1.12 -0.19 0.00 -0.53 0.00 0.00 54.79 55.69 2gdd n ASP 80 Cb 0.44 -1.49 -0.05 0.00 -0.64 0.00 0.00 41.12 39.38 2gdd n ASP 80 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2gdd n GLN 81 N 2.56 0.46 -1.95 -1.24 6.02 -1.26 -5.13 117.38 116.84 2gdd n GLN 81 Ca 0.12 -2.75 -0.42 0.00 -0.01 0.00 0.00 57.00 53.95 2gdd n GLN 81 Cb 0.33 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 30.07 2gdd n GLN 81 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2gdd s LEU 82 N -0.15 4.37 -0.13 1.08 1.43 -1.26 -4.66 118.68 119.36 2gdd s LEU 82 Ca 0.33 2.68 -0.02 0.00 -1.03 0.00 0.00 54.13 56.08 2gdd s LEU 82 Cb 0.09 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.67 2gdd s LEU 82 CO -0.15 -0.78 -0.04 -0.76 0.23 0.00 0.00 176.35 174.85 2gdd s LEU 83 N 0.24 3.27 0.60 1.79 1.43 0.74 -4.89 118.68 121.87 2gdd s LEU 83 Ca 0.64 -0.07 -0.15 0.00 -1.03 0.00 0.00 54.13 53.52 2gdd s LEU 83 Cb -0.43 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 2gdd s LEU 83 CO 0.39 0.24 1.05 -2.16 0.23 0.00 0.00 176.35 176.10 2gdd s PRO 84 N -0.07 3.36 -0.09 1.29 0.04 -1.26 -0.10 135.00 138.17 2gdd s PRO 84 Ca 0.02 1.11 -0.01 0.00 0.04 0.00 0.00 61.00 62.16 2gdd s PRO 84 Cb -0.13 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 2gdd s PRO 84 CO 0.03 -0.77 -0.02 0.08 0.04 0.00 0.00 177.00 176.35 2gdd s VAL 85 N -2.59 4.12 -0.07 -0.36 1.01 -1.26 -2.72 120.40 118.53 2gdd s VAL 85 Ca 0.62 -0.32 0.10 0.00 0.00 0.00 0.00 61.98 62.38 2gdd s VAL 85 Cb -0.15 -2.73 -0.24 0.00 0.00 0.00 0.00 36.38 33.27 2gdd s VAL 85 CO 0.39 0.60 0.56 -1.54 0.00 0.00 0.00 175.10 175.11 2gdd n SER 86 N 2.26 1.04 -3.57 3.32 3.41 0.13 -4.80 113.62 115.41 2gdd n SER 86 Ca -0.18 0.34 -0.17 0.00 -0.26 0.00 0.00 58.87 58.60 2gdd n SER 86 Cb 0.53 -0.13 -0.07 0.00 -0.26 0.00 0.00 64.21 64.29 2gdd n SER 86 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2gdd s ARG 87 N -2.58 0.97 -0.23 4.33 3.52 -1.18 -5.00 118.95 118.78 2gdd s ARG 87 Ca -0.09 0.28 -0.01 0.00 -0.13 0.00 0.00 55.73 55.78 2gdd s ARG 87 Cb 0.08 0.46 0.02 0.00 -1.56 0.00 0.00 34.95 33.95 2gdd s ARG 87 CO 0.81 -0.28 -0.09 0.42 -0.81 0.00 0.00 175.30 175.35 2gdd s ILE 88 N -1.02 2.74 -0.34 4.11 1.01 -1.26 -1.53 121.20 124.91 2gdd s ILE 88 Ca -0.10 -0.98 -0.05 0.00 0.00 0.00 0.00 60.65 59.52 2gdd s ILE 88 Cb -0.01 -2.35 0.05 0.00 0.01 0.00 0.00 42.46 40.16 2gdd s ILE 88 CO 0.08 0.28 0.10 -0.63 0.00 0.00 0.00 174.94 174.77 2gdd s ILE 89 N 1.32 3.63 -0.22 2.92 1.01 -0.28 -4.99 121.20 124.59 2gdd s ILE 89 Ca 0.01 -1.25 -0.07 0.00 0.00 0.00 0.00 60.65 59.34 2gdd s ILE 89 Cb -0.16 -3.09 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 2gdd s ILE 89 CO -0.06 -0.21 0.05 -0.69 0.00 0.00 0.00 174.94 174.02 2gdd s VAL 90 N 1.36 4.29 -0.36 2.92 1.01 -1.26 -0.21 120.40 128.15 2gdd s VAL 90 Ca -0.02 -0.19 -0.43 0.00 0.00 0.00 0.00 61.98 61.34 2gdd s VAL 90 Cb -0.20 -2.97 -0.18 0.00 0.00 0.00 0.00 36.38 33.03 2gdd s VAL 90 CO 0.02 0.39 1.64 1.57 0.00 0.00 0.00 175.10 178.71 2gdd n HIS 91 N 4.46 1.85 0.30 5.22 -0.00 -1.12 -4.80 115.22 121.13 2gdd n HIS 91 Ca -0.16 0.84 0.17 0.00 0.46 0.00 0.00 57.72 59.03 2gdd n HIS 91 Cb 0.52 -2.34 0.86 0.00 -0.12 0.00 0.00 29.99 28.91 2gdd n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2gdd h PRO 92 N 5.96 0.00 -0.01 1.57 0.13 -1.93 -1.25 132.00 136.47 2gdd h PRO 92 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2gdd h PRO 92 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2gdd h PRO 92 CO 0.95 0.00 -0.21 1.04 -0.23 0.00 0.00 178.00 179.55 2gdd n GLN 93 N -3.09 0.78 -2.72 0.86 6.02 -1.26 -4.91 117.38 113.06 2gdd n GLN 93 Ca -0.01 -0.41 -0.41 0.00 -0.01 0.00 0.00 57.00 56.17 2gdd n GLN 93 Cb 0.36 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 30.08 2gdd n GLN 93 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 2gdd s PHE 94 N -2.50 3.86 0.00 1.08 5.36 -0.47 -4.82 117.98 120.49 2gdd s PHE 94 Ca 0.26 1.83 0.00 0.00 -0.96 0.00 0.00 56.93 58.05 2gdd s PHE 94 Cb 0.19 -3.04 0.00 0.00 -0.34 0.00 0.00 43.02 39.83 2gdd s PHE 94 CO 0.51 0.24 0.00 0.98 -1.46 0.00 0.00 175.22 175.49 2gdd n TYR 95 N 2.34 -0.04 -3.92 10.12 9.36 -1.26 -4.89 117.16 128.86 2gdd n TYR 95 Ca 0.01 0.01 -0.09 0.00 3.32 0.00 0.00 57.90 61.14 2gdd n TYR 95 Cb 0.48 0.42 -0.09 0.00 -0.63 0.00 0.00 39.34 39.52 2gdd n TYR 95 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2gdd s THR 96 N -2.00 0.13 0.26 2.97 -4.23 -1.26 -4.48 115.64 107.02 2gdd s THR 96 Ca 0.00 -1.07 -0.03 0.00 -1.18 0.00 0.00 61.69 59.41 2gdd s THR 96 Cb 0.00 -0.87 0.24 0.00 1.34 0.00 0.00 72.50 73.21 2gdd s THR 96 CO 0.00 -0.59 1.85 0.00 -0.54 0.00 0.00 174.62 175.34 2gdd h ALA 97 N 3.69 1.30 -0.20 3.99 0.00 -1.96 -1.93 119.26 124.14 2gdd h ALA 97 Ca -0.32 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 2gdd h ALA 97 Cb 1.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2gdd h ALA 97 CO 0.50 0.29 -0.13 1.96 0.00 0.00 0.00 179.25 181.87 2gdd h GLN 98 N 1.00 0.32 0.01 0.00 7.50 -1.97 -2.95 115.11 119.03 2gdd h GLN 98 Ca 0.42 -0.08 -0.00 0.00 0.50 0.00 0.00 58.65 59.49 2gdd h GLN 98 Cb 0.25 -0.04 0.00 0.00 0.05 0.00 0.00 27.48 27.74 2gdd h GLN 98 CO -0.20 0.46 -0.00 0.82 -1.50 0.00 0.00 178.83 178.40 2gdd h ILE 99 N 0.30 1.49 0.00 2.54 2.04 -1.79 -3.46 117.51 118.62 2gdd h ILE 99 Ca 0.06 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.40 2gdd h ILE 99 Cb 0.41 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 39.00 2gdd h ILE 99 CO 0.02 0.39 0.00 0.61 0.00 0.00 0.00 178.15 179.17 2gdd n GLY 100 N 0.68 0.92 3.93 5.37 0.00 -0.79 -4.97 105.19 110.33 2gdd n GLY 100 Ca -0.09 -1.95 -0.31 0.00 0.00 0.00 0.00 46.02 43.67 2gdd n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gdd n ALA 101 N -1.00 -1.24 -2.47 4.61 0.00 -1.26 -4.42 120.51 114.73 2gdd n ALA 101 Ca 0.00 0.14 -0.43 0.00 0.00 0.00 0.00 53.44 53.15 2gdd n ALA 101 Cb 0.00 -4.09 0.00 0.00 0.00 0.00 0.00 19.45 15.36 2gdd n ALA 101 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2gdd n ASP 102 N -2.73 4.82 -3.73 0.00 2.03 -1.26 -4.31 116.55 111.37 2gdd n ASP 102 Ca 0.05 -2.94 -0.14 0.00 0.52 0.00 0.00 54.79 52.28 2gdd n ASP 102 Cb 0.52 -1.65 -0.09 0.00 -0.72 0.00 0.00 41.12 39.17 2gdd n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2gdd s ILE 103 N 2.85 0.02 0.17 5.18 2.07 -1.26 -3.79 121.20 126.44 2gdd s ILE 103 Ca 0.48 -0.19 -0.13 0.00 -1.41 0.00 0.00 60.65 59.40 2gdd s ILE 103 Cb 0.05 -0.61 0.01 0.00 0.13 0.00 0.00 42.46 42.04 2gdd s ILE 103 CO 0.02 -0.11 0.39 0.00 -1.91 0.00 0.00 174.94 173.33 2gdd s ALA 104 N -0.51 -0.50 0.05 1.50 0.00 0.77 -2.80 121.76 120.27 2gdd s ALA 104 Ca -0.06 -0.51 0.07 0.00 0.00 0.00 0.00 51.96 51.46 2gdd s ALA 104 Cb -0.04 0.82 -0.03 0.00 0.00 0.00 0.00 23.12 23.88 2gdd s ALA 104 CO 0.03 -0.71 -0.20 -0.51 0.00 0.00 0.00 175.76 174.37 2gdd s LEU 105 N -2.91 2.18 -0.19 0.00 1.43 0.71 -1.43 118.68 118.47 2gdd s LEU 105 Ca 0.12 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 2gdd s LEU 105 Cb 0.01 -0.93 0.03 0.00 0.03 0.00 0.00 46.19 45.34 2gdd s LEU 105 CO -0.03 0.14 -0.14 -0.76 0.23 0.00 0.00 176.35 175.79 2gdd s LEU 106 N -1.23 2.22 -0.34 1.79 1.43 0.67 -1.12 118.68 122.09 2gdd s LEU 106 Ca 0.07 -0.78 -0.18 0.00 -1.03 0.00 0.00 54.13 52.21 2gdd s LEU 106 Cb -0.09 -1.32 -0.01 0.00 0.03 0.00 0.00 46.19 44.80 2gdd s LEU 106 CO 0.02 -0.09 0.52 -0.70 0.23 0.00 0.00 176.35 176.33 2gdd s GLU 107 N 1.36 3.67 0.70 1.70 2.12 -0.58 -0.84 118.70 126.82 2gdd s GLU 107 Ca 0.01 -0.10 -0.14 0.00 0.36 0.00 0.00 54.97 55.10 2gdd s GLU 107 Cb -0.15 -3.79 0.02 0.00 0.26 0.00 0.00 34.13 30.47 2gdd s GLU 107 CO -0.10 -0.62 1.11 -0.51 -0.54 0.00 0.00 175.26 174.60 2gdd s LEU 108 N 2.41 3.28 0.24 2.70 1.43 -0.35 0.17 118.68 128.57 2gdd s LEU 108 Ca 0.19 1.98 0.25 0.00 -1.03 0.00 0.00 54.13 55.53 2gdd s LEU 108 Cb -0.15 -4.55 0.89 0.00 0.03 0.00 0.00 46.19 42.41 2gdd s LEU 108 CO 0.13 -1.81 1.75 1.21 0.23 0.00 0.00 176.35 177.86 2gdd n GLU 109 N -2.76 0.24 -3.77 1.70 2.13 -1.10 -4.47 120.64 112.61 2gdd n GLU 109 Ca 0.10 0.32 -0.13 0.00 0.66 0.00 0.00 57.16 58.11 2gdd n GLU 109 Cb 0.52 -1.85 -0.09 0.00 0.27 0.00 0.00 31.44 30.29 2gdd n GLU 109 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2gdd s GLU 110 N -3.21 0.63 0.62 5.31 0.41 -1.26 -5.01 118.70 116.18 2gdd s GLU 110 Ca 0.08 -0.16 -0.15 0.00 -0.41 0.00 0.00 54.97 54.32 2gdd s GLU 110 Cb 0.11 0.28 -0.02 0.00 -1.78 0.00 0.00 34.13 32.71 2gdd s GLU 110 CO 0.51 -0.17 1.08 -2.14 -0.49 0.00 0.00 175.26 174.05 2gdd s PRO 111 N -1.22 3.12 -0.05 0.39 0.02 -1.26 -4.73 135.00 131.28 2gdd s PRO 111 Ca -0.13 1.26 -0.04 0.00 0.02 0.00 0.00 61.00 62.11 2gdd s PRO 111 Cb -0.05 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 32.43 2gdd s PRO 111 CO 0.04 -0.97 0.17 0.14 -0.33 0.00 0.00 177.00 176.05 2gdd s VAL 112 N -2.43 5.45 -1.10 3.83 -7.23 0.03 -4.96 120.40 113.99 2gdd s VAL 112 Ca 0.65 -0.01 -0.22 0.00 -1.81 0.00 0.00 61.98 60.58 2gdd s VAL 112 Cb -0.18 -3.50 0.05 0.00 0.56 0.00 0.00 36.38 33.32 2gdd s VAL 112 CO 0.39 0.43 1.55 -0.54 -0.31 0.00 0.00 175.10 176.61 2gdd s LYS 113 N -1.62 3.67 0.52 4.82 -0.14 -1.26 -4.85 119.74 120.87 2gdd s LYS 113 Ca 0.23 -1.34 -0.20 0.00 -1.36 0.00 0.00 55.97 53.30 2gdd s LYS 113 Cb -0.12 -5.40 -0.09 0.00 -1.68 0.00 0.00 37.83 30.54 2gdd s LYS 113 CO 0.14 -2.27 0.74 1.33 -0.76 0.00 0.00 175.35 174.53 2gdd n VAL 114 N 6.79 2.55 -4.18 3.17 0.24 -1.26 -4.98 118.33 120.65 2gdd n VAL 114 Ca 0.38 -0.50 -0.16 0.00 -2.04 0.00 0.00 64.34 62.02 2gdd n VAL 114 Cb 0.49 -0.87 -0.07 0.00 -1.47 0.00 0.00 33.84 31.93 2gdd n VAL 114 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2gdd s SER 115 N -1.05 0.99 0.49 -1.34 1.04 0.11 -4.97 113.70 108.96 2gdd s SER 115 Ca 0.68 -1.53 0.15 0.00 0.48 0.00 0.00 55.95 55.72 2gdd s SER 115 Cb -0.49 0.56 1.15 0.00 0.10 0.00 0.00 66.02 67.34 2gdd s SER 115 CO 0.54 -1.11 2.09 -1.28 0.98 0.00 0.00 173.24 174.46 2gdd h SER 116 N 2.23 0.05 0.87 7.02 0.87 -2.02 -2.64 113.55 119.93 2gdd h SER 116 Ca -0.28 -0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.16 2gdd h SER 116 Cb 1.24 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.17 2gdd h SER 116 CO 0.40 0.09 -1.20 -0.74 -0.53 0.00 0.00 176.83 174.86 2gdd h HIS 117 N 0.05 0.00 -2.91 2.24 -0.00 -1.95 -3.45 115.15 109.13 2gdd h HIS 117 Ca 0.01 0.00 -0.47 0.00 -0.00 0.00 0.00 60.37 59.92 2gdd h HIS 117 Cb 0.09 0.00 -0.40 0.00 -0.00 0.00 0.00 27.41 27.10 2gdd h HIS 117 CO 0.00 0.39 -0.75 0.08 -0.00 0.00 0.00 177.93 177.66 2gdd s VAL 118 N -3.06 -0.11 0.28 5.26 1.01 -1.00 -4.49 120.40 118.30 2gdd s VAL 118 Ca -0.01 -0.35 -0.13 0.00 0.00 0.00 0.00 61.98 61.48 2gdd s VAL 118 Cb 0.09 -0.71 0.01 0.00 0.00 0.00 0.00 36.38 35.76 2gdd s VAL 118 CO 0.80 -0.42 0.56 -1.38 0.00 0.00 0.00 175.10 174.66 2gdd s HIS 119 N 2.15 0.31 0.81 5.22 -0.00 -1.05 0.06 115.29 122.80 2gdd s HIS 119 Ca 0.05 -0.72 -0.10 0.00 -0.00 0.00 0.00 55.06 54.29 2gdd s HIS 119 Cb -0.16 0.34 0.08 0.00 -0.00 0.00 0.00 32.58 32.84 2gdd s HIS 119 CO -0.18 -1.13 1.10 0.95 -0.00 0.00 0.00 174.74 175.48 2gdd s THR 120 N -3.67 3.00 0.16 -5.38 -4.23 -1.26 -3.03 115.64 101.23 2gdd s THR 120 Ca 0.20 0.33 0.05 0.00 -1.18 0.00 0.00 61.69 61.09 2gdd s THR 120 Cb -0.02 -2.70 -0.04 0.00 1.34 0.00 0.00 72.50 71.08 2gdd s THR 120 CO 0.10 -0.43 0.11 0.54 -0.54 0.00 0.00 174.62 174.41 2gdd s VAL 121 N -2.84 4.37 -0.06 2.29 0.11 -0.28 -4.84 120.40 119.15 2gdd s VAL 121 Ca 0.63 -1.11 -0.19 0.00 -2.93 0.00 0.00 61.98 58.38 2gdd s VAL 121 Cb -0.18 -3.22 -0.05 0.00 -1.53 0.00 0.00 36.38 31.40 2gdd s VAL 121 CO 0.57 -0.09 0.53 -0.89 -3.33 0.00 0.00 175.10 171.88 2gdd s THR 122 N -1.72 5.06 0.40 5.04 2.01 -1.23 -4.65 115.64 120.56 2gdd s THR 122 Ca 0.30 1.08 -0.23 0.00 0.31 0.00 0.00 61.69 63.15 2gdd s THR 122 Cb -0.10 -3.86 -0.10 0.00 0.01 0.00 0.00 72.50 68.45 2gdd s THR 122 CO 0.23 0.38 1.00 -0.76 -0.69 0.00 0.00 174.62 174.77 2gdd s LEU 123 N 0.17 4.10 0.54 4.42 1.43 -1.26 -1.63 118.68 126.45 2gdd s LEU 123 Ca 0.28 1.89 -0.18 0.00 -1.03 0.00 0.00 54.13 55.09 2gdd s LEU 123 Cb -0.17 -4.28 -0.06 0.00 0.03 0.00 0.00 46.19 41.72 2gdd s LEU 123 CO 0.14 -0.39 1.05 -2.16 0.23 0.00 0.00 176.35 175.21 2gdd s PRO 124 N -2.64 3.55 0.56 1.29 0.04 -1.26 -4.85 135.00 131.68 2gdd s PRO 124 Ca 0.58 1.27 -0.18 0.00 0.04 0.00 0.00 61.00 62.71 2gdd s PRO 124 Cb -0.17 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 2gdd s PRO 124 CO 0.22 -0.63 1.09 -2.14 0.04 0.00 0.00 177.00 175.58 2gdd s PRO 125 N -3.70 3.37 0.60 0.56 0.02 -1.26 -4.88 135.00 129.70 2gdd s PRO 125 Ca 0.65 1.43 0.29 0.00 0.02 0.00 0.00 61.00 63.39 2gdd s PRO 125 Cb -0.16 -2.02 1.46 0.00 0.02 0.00 0.00 34.50 33.79 2gdd s PRO 125 CO 0.29 -0.80 1.87 0.00 -0.33 0.00 0.00 177.00 178.03 2gdd h ALA 126 N 0.95 2.15 0.00 -1.55 0.00 -1.95 -0.21 119.26 118.66 2gdd h ALA 126 Ca -0.49 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 2gdd h ALA 126 Cb 1.24 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2gdd h ALA 126 CO 0.57 -0.73 -1.10 -1.13 0.00 0.00 0.00 179.25 176.85 2gdd n SER 127 N -3.63 0.85 -4.64 0.00 3.41 -1.26 -4.93 113.62 103.42 2gdd n SER 127 Ca 0.08 0.34 -0.48 0.00 -0.26 0.00 0.00 58.87 58.55 2gdd n SER 127 Cb 0.69 0.39 -0.04 0.00 -0.26 0.00 0.00 64.21 64.98 2gdd n SER 127 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2gdd n GLU 128 N -2.72 1.73 -3.68 4.33 4.07 -0.09 -4.95 120.64 119.33 2gdd n GLU 128 Ca -0.02 0.62 -0.30 0.00 -0.06 0.00 0.00 57.16 57.41 2gdd n GLU 128 Cb 0.62 -2.31 -0.14 0.00 -0.06 0.00 0.00 31.44 29.55 2gdd n GLU 128 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 2gdd s THR 129 N 0.53 1.00 -0.45 6.31 2.01 -1.26 -4.92 115.64 118.85 2gdd s THR 129 Ca 0.78 -2.01 -0.28 0.00 0.31 0.00 0.00 61.69 60.50 2gdd s THR 129 Cb -0.77 -1.72 -0.08 0.00 0.01 0.00 0.00 72.50 69.93 2gdd s THR 129 CO 0.44 -0.84 2.37 0.49 -0.69 0.00 0.00 174.62 176.39 2gdd n PHE 130 N 4.08 1.50 -1.72 4.92 3.72 -1.26 -4.88 117.46 123.83 2gdd n PHE 130 Ca 0.05 0.10 -0.43 0.00 -0.05 0.00 0.00 57.45 57.13 2gdd n PHE 130 Cb 0.37 -2.62 -0.01 0.00 -0.94 0.00 0.00 39.48 36.28 2gdd n PHE 130 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2gdd n PRO 131 N 8.80 2.38 -1.54 -1.08 -0.04 -1.26 -4.87 135.00 137.40 2gdd n PRO 131 Ca 0.39 0.84 -0.46 0.00 -0.04 0.00 0.00 63.50 64.22 2gdd n PRO 131 Cb 0.43 -2.54 -0.05 0.00 -0.04 0.00 0.00 33.50 31.31 2gdd n PRO 131 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2gdd n PRO 132 N 1.53 1.61 0.00 0.54 -0.04 -1.26 -1.12 135.00 136.26 2gdd n PRO 132 Ca 0.08 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 2gdd n PRO 132 Cb 0.35 -2.90 0.00 0.00 -0.04 0.00 0.00 33.50 30.91 2gdd n PRO 132 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2gdd n GLY 133 N 6.04 1.72 3.35 0.55 0.00 0.30 -4.94 105.19 112.21 2gdd n GLY 133 Ca 0.34 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.87 2gdd n GLY 133 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2gdd n MET 134 N 0.00 0.00 -2.43 1.61 1.56 -0.28 -4.53 117.12 113.05 2gdd n MET 134 Ca 0.00 0.00 -0.43 0.00 -0.27 0.00 0.00 57.70 57.00 2gdd n MET 134 Cb 0.00 -1.09 -0.02 0.00 2.15 0.00 0.00 33.22 34.26 2gdd n MET 134 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 2gdd s PRO 135 N -0.75 3.73 0.16 2.12 0.02 -1.26 -3.57 135.00 135.45 2gdd s PRO 135 Ca 0.69 0.97 0.06 0.00 0.02 0.00 0.00 61.00 62.73 2gdd s PRO 135 Cb -0.99 -3.94 -0.04 0.00 0.02 0.00 0.00 34.50 29.55 2gdd s PRO 135 CO 0.55 -1.36 -0.13 0.00 -0.33 0.00 0.00 177.00 175.73 2gdd s TRP 137 N -2.89 1.32 0.08 0.00 0.52 0.67 -0.40 118.94 118.24 2gdd s TRP 137 Ca 0.17 -0.28 0.09 0.00 0.02 0.00 0.00 56.10 56.09 2gdd s TRP 137 Cb -0.01 -0.83 -0.03 0.00 -1.15 0.00 0.00 33.47 31.45 2gdd s TRP 137 CO 0.03 -0.00 -0.24 0.54 0.02 0.00 0.00 176.95 177.31 2gdd s VAL 138 N -0.49 1.92 0.07 4.03 0.11 -1.03 -0.29 120.40 124.73 2gdd s VAL 138 Ca 0.05 -1.45 0.01 0.00 -2.93 0.00 0.00 61.98 57.66 2gdd s VAL 138 Cb -0.06 -1.69 -0.04 0.00 -1.53 0.00 0.00 36.38 33.06 2gdd s VAL 138 CO 0.00 0.16 -0.06 0.42 -3.33 0.00 0.00 175.10 172.29 2gdd s THR 139 N -0.94 0.51 -4.44 5.04 -4.23 -1.17 -2.38 115.64 108.03 2gdd s THR 139 Ca 0.10 -1.69 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 2gdd s THR 139 Cb -0.10 -1.36 0.00 0.00 1.34 0.00 0.00 72.50 72.38 2gdd s THR 139 CO 0.03 -0.80 0.00 0.61 -0.54 0.00 0.00 174.62 173.93 2gdd n GLY 140 N 0.36 -2.71 0.93 3.99 0.00 -0.68 -4.48 105.19 102.59 2gdd n GLY 140 Ca -0.15 -1.29 0.07 0.00 0.00 0.00 0.00 46.02 44.65 2gdd n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2gdd n TRP 141 N -0.67 0.98 -1.18 1.61 8.01 -1.26 -1.39 117.44 123.54 2gdd n TRP 141 Ca 0.00 -0.95 -0.29 0.00 -1.31 0.00 0.00 57.50 54.95 2gdd n TRP 141 Cb 0.00 -0.34 0.21 0.00 -2.01 0.00 0.00 31.31 29.18 2gdd n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2gdd s GLY 142 N -1.98 1.58 0.41 6.99 0.00 -1.25 -4.64 107.32 108.44 2gdd s GLY 142 Ca 0.43 -0.75 -0.24 0.00 0.00 0.00 0.00 44.72 44.16 2gdd s GLY 142 CO 0.08 0.02 0.90 1.22 0.00 0.00 0.00 173.10 175.32 2gdd n ASP 143 N -4.47 0.72 -0.11 1.64 8.00 0.12 -1.69 116.55 120.77 2gdd n ASP 143 Ca 0.10 1.01 0.15 0.00 0.71 0.00 0.00 54.79 56.76 2gdd n ASP 143 Cb 0.59 -1.29 0.69 0.00 -0.02 0.00 0.00 41.12 41.09 2gdd n ASP 143 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2gdd n VAL 144 N -0.56 0.00 -3.60 2.53 0.24 -0.73 -0.38 118.33 115.83 2gdd n VAL 144 Ca 0.10 -0.06 0.02 0.00 -2.04 0.00 0.00 64.34 62.37 2gdd n VAL 144 Cb 0.39 -0.18 -0.00 0.00 -1.47 0.00 0.00 33.84 32.57 2gdd n VAL 144 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2gdd s ASP 145 N -2.37 -0.04 -0.18 -1.34 -1.08 -1.21 -4.35 116.67 106.10 2gdd s ASP 145 Ca 0.33 -0.08 -0.36 0.00 -0.52 0.00 0.00 52.55 51.92 2gdd s ASP 145 Cb 0.20 0.10 -0.13 0.00 -1.46 0.00 0.00 42.92 41.64 2gdd s ASP 145 CO 0.44 -0.19 1.90 0.59 0.52 0.00 0.00 175.17 178.43 2gdd n ASN 146 N -0.47 2.98 0.00 -0.34 3.02 -1.26 -1.27 115.26 117.92 2gdd n ASN 146 Ca -0.08 0.90 0.00 0.00 -0.03 0.00 0.00 54.58 55.37 2gdd n ASN 146 Cb 0.63 -1.30 0.00 0.00 -0.61 0.00 0.00 39.78 38.50 2gdd n ASN 146 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2gdd n ASP 147 N 6.91 -3.05 -4.06 6.41 9.92 -1.26 -4.98 116.55 126.44 2gdd n ASP 147 Ca 0.27 0.00 -0.32 0.00 -0.53 0.00 0.00 54.79 54.21 2gdd n ASP 147 Cb 0.24 -2.09 -0.15 0.00 -0.64 0.00 0.00 41.12 38.47 2gdd n ASP 147 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 2gdd s GLU 149 N -1.03 2.37 1.07 -1.24 -1.05 -0.40 -5.11 118.70 113.32 2gdd s GLU 149 Ca 0.00 -1.12 -0.12 0.00 -0.15 0.00 0.00 54.97 53.58 2gdd s GLU 149 Cb 0.00 -2.72 0.23 0.00 -0.44 0.00 0.00 34.13 31.21 2gdd s GLU 149 CO 0.00 -0.46 1.07 1.03 0.95 0.00 0.00 175.26 177.85 2gdd s ARG 150 N 1.21 -0.22 0.00 -4.83 1.81 -1.26 -1.78 118.95 113.88 2gdd s ARG 150 Ca -0.04 1.06 0.00 0.00 -1.72 0.00 0.00 55.73 55.03 2gdd s ARG 150 Cb -0.18 -1.62 0.00 0.00 -0.45 0.00 0.00 34.95 32.71 2gdd s ARG 150 CO -0.08 -3.32 0.00 -0.11 -0.68 0.00 0.00 175.30 171.11 2gdd n LEU 151 N -4.66 0.00 -0.95 2.53 7.94 -1.26 -4.30 117.00 116.30 2gdd n LEU 151 Ca 0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.96 2gdd n LEU 151 Cb 0.54 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.49 2gdd n LEU 151 CO 0.55 -0.07 0.00 -0.81 -1.11 0.00 0.00 177.39 175.95 2gdd n PRO 152 N -0.06 0.00 -3.36 1.96 -0.04 -1.26 -5.02 135.00 127.22 2gdd n PRO 152 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 2gdd n PRO 152 Cb 0.00 -0.40 0.03 0.00 -0.04 0.00 0.00 33.50 33.09 2gdd n PRO 152 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2gdd n PHE 153 N 0.28 -2.48 -2.91 0.54 3.72 -1.26 -3.81 117.46 111.53 2gdd n PHE 153 Ca 0.00 0.87 -0.38 0.00 -0.05 0.00 0.00 57.45 57.89 2gdd n PHE 153 Cb 0.00 -3.76 -0.06 0.00 -0.94 0.00 0.00 39.48 34.71 2gdd n PHE 153 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2gdd s PRO 154 N -4.30 4.55 0.06 -1.08 0.04 -1.26 -1.01 135.00 132.00 2gdd s PRO 154 Ca 0.22 1.20 -0.30 0.00 0.04 0.00 0.00 61.00 62.15 2gdd s PRO 154 Cb -0.05 -3.05 -0.09 0.00 0.04 0.00 0.00 34.50 31.35 2gdd s PRO 154 CO 0.80 0.44 1.83 -1.17 0.04 0.00 0.00 177.00 178.93 2gdd s LEU 155 N -1.60 4.40 0.33 -3.56 2.96 -0.42 -4.80 118.68 115.99 2gdd s LEU 155 Ca 0.42 2.62 0.07 0.00 -0.22 0.00 0.00 54.13 57.02 2gdd s LEU 155 Cb -0.21 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 42.91 2gdd s LEU 155 CO 0.25 -0.99 0.38 -0.54 -1.32 0.00 0.00 176.35 174.13 2gdd s LYS 156 N 3.48 2.97 0.05 1.98 1.02 -0.49 -0.88 119.74 127.87 2gdd s LYS 156 Ca 0.81 -1.12 -0.08 0.00 0.02 0.00 0.00 55.97 55.61 2gdd s LYS 156 Cb -0.42 -2.67 -0.00 0.00 -0.52 0.00 0.00 37.83 34.21 2gdd s LYS 156 CO 0.37 0.11 0.16 1.14 -0.92 0.00 0.00 175.35 176.20 2gdd s GLN 157 N -4.08 0.68 -0.26 1.68 -2.07 -0.56 -1.69 119.66 113.37 2gdd s GLN 157 Ca 0.42 -0.74 -0.18 0.00 -1.82 0.00 0.00 55.36 53.04 2gdd s GLN 157 Cb -0.08 0.28 0.07 0.00 -1.09 0.00 0.00 33.01 32.19 2gdd s GLN 157 CO 0.29 -0.19 0.66 0.54 -1.32 0.00 0.00 175.29 175.27 2gdd s VAL 158 N -2.84 -0.00 -0.14 3.63 0.11 -1.00 -1.57 120.40 118.58 2gdd s VAL 158 Ca -0.03 0.01 -0.29 0.00 -2.93 0.00 0.00 61.98 58.74 2gdd s VAL 158 Cb 0.00 -0.95 -0.01 0.00 -1.53 0.00 0.00 36.38 33.90 2gdd s VAL 158 CO -0.05 0.00 1.00 -0.75 -3.33 0.00 0.00 175.10 171.97 2gdd s LYS 159 N 1.15 4.38 -0.01 1.54 2.20 -1.26 -2.45 119.74 125.29 2gdd s LYS 159 Ca -0.06 1.35 0.06 0.00 -0.36 0.00 0.00 55.97 56.96 2gdd s LYS 159 Cb -0.05 -3.56 -0.02 0.00 -1.51 0.00 0.00 37.83 32.69 2gdd s LYS 159 CO -0.12 -0.38 -0.19 0.14 -0.36 0.00 0.00 175.35 174.45 2gdd s VAL 160 N 2.26 1.50 -0.06 4.02 -7.23 0.47 -4.93 120.40 116.42 2gdd s VAL 160 Ca 0.47 -0.85 -0.25 0.00 -1.81 0.00 0.00 61.98 59.54 2gdd s VAL 160 Cb -0.17 -1.25 -0.03 0.00 0.56 0.00 0.00 36.38 35.48 2gdd s VAL 160 CO 0.15 0.39 0.76 -2.16 -0.31 0.00 0.00 175.10 173.93 2gdd s PRO 161 N -0.53 4.46 0.37 4.82 0.04 -1.26 -3.06 135.00 139.83 2gdd s PRO 161 Ca 0.07 0.99 -0.26 0.00 0.04 0.00 0.00 61.00 61.85 2gdd s PRO 161 Cb -0.07 -3.46 -0.09 0.00 0.04 0.00 0.00 34.50 30.92 2gdd s PRO 161 CO -0.00 0.02 1.12 0.42 0.04 0.00 0.00 177.00 178.60 2gdd s ILE 162 N 0.90 3.40 0.12 0.56 1.01 -1.23 -1.79 121.20 124.17 2gdd s ILE 162 Ca 0.40 1.20 0.07 0.00 0.00 0.00 0.00 60.65 62.33 2gdd s ILE 162 Cb -0.18 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 2gdd s ILE 162 CO 0.20 0.13 -0.17 -0.04 0.00 0.00 0.00 174.94 175.06 2gdd s MET 163 N -2.14 1.09 0.26 2.79 -1.94 -0.77 -0.54 119.30 118.06 2gdd s MET 163 Ca 0.54 -1.22 -0.30 0.00 -1.71 0.00 0.00 55.69 53.00 2gdd s MET 163 Cb -0.29 -1.16 -0.11 0.00 2.01 0.00 0.00 34.83 35.29 2gdd s MET 163 CO 0.36 0.25 1.53 -2.00 -0.01 0.00 0.00 175.02 175.15 2gdd s GLU 164 N -2.34 4.19 0.26 2.03 2.12 -1.26 -4.38 118.70 119.32 2gdd s GLU 164 Ca 0.08 2.45 -0.03 0.00 0.36 0.00 0.00 54.97 57.84 2gdd s GLU 164 Cb -0.07 -3.07 0.56 0.00 0.26 0.00 0.00 34.13 31.81 2gdd s GLU 164 CO 0.04 -0.55 1.65 -0.91 -0.54 0.00 0.00 175.26 174.96 2gdd h ASN 165 N 5.15 -0.10 -0.21 -1.70 4.21 -1.93 -0.09 115.58 120.90 2gdd h ASN 165 Ca -0.46 0.18 -0.01 0.00 1.21 0.00 0.00 56.30 57.22 2gdd h ASN 165 Cb 1.22 0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 38.68 2gdd h ASN 165 CO 0.80 -0.13 0.09 -0.74 -1.29 0.00 0.00 177.43 176.16 2gdd h HIS 166 N 0.20 0.31 -0.31 1.19 2.76 -1.92 0.91 115.15 118.29 2gdd h HIS 166 Ca 0.47 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.61 2gdd h HIS 166 Cb 0.89 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.74 2gdd h HIS 166 CO -0.31 0.34 0.13 0.97 -1.30 0.00 0.00 177.93 177.76 2gdd h ILE 167 N 0.20 1.12 -0.09 6.26 -0.00 -1.58 -0.00 117.51 123.42 2gdd h ILE 167 Ca 0.07 -0.36 -0.08 0.00 -0.00 0.00 0.00 64.86 64.50 2gdd h ILE 167 Cb 0.16 0.74 0.00 0.00 -0.00 0.00 0.00 36.82 37.72 2gdd h ILE 167 CO -0.01 0.14 -0.25 0.00 -0.00 0.00 0.00 178.15 178.04 2gdd h ASP 169 N -0.15 0.59 -0.67 0.00 3.58 -0.40 -0.30 116.42 119.06 2gdd h ASP 169 Ca -0.01 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 2gdd h ASP 169 Cb 0.86 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.81 2gdd h ASP 169 CO 0.05 0.35 0.41 0.00 -2.88 0.00 0.00 179.24 177.17 2gdd h ALA 170 N 1.41 0.86 0.23 -0.78 0.00 -0.95 -2.76 119.26 117.28 2gdd h ALA 170 Ca 0.35 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2gdd h ALA 170 Cb 0.29 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2gdd h ALA 170 CO -0.23 0.33 -0.19 0.87 0.00 0.00 0.00 179.25 180.04 2gdd h LYS 171 N 0.92 -0.42 -0.11 0.00 1.57 -0.18 -2.20 116.57 116.15 2gdd h LYS 171 Ca 0.24 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.08 2gdd h LYS 171 Cb -0.03 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 2gdd h LYS 171 CO -0.05 -0.28 0.29 1.88 -0.57 0.00 0.00 179.45 180.72 2gdd h TYR 172 N -0.44 0.00 0.00 -1.35 0.05 -1.02 0.25 116.97 114.46 2gdd h TYR 172 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2gdd h TYR 172 Cb 0.39 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.13 2gdd h TYR 172 CO -0.13 0.00 -0.34 0.45 -1.05 0.00 0.00 178.16 177.10 2gdd h HIS 173 N 0.00 0.00 -2.84 4.88 3.86 -1.12 -3.42 115.15 116.51 2gdd h HIS 173 Ca 0.05 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.71 2gdd h HIS 173 Cb 0.63 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 2gdd h HIS 173 CO 0.00 0.00 0.91 -0.51 0.86 0.00 0.00 177.93 179.19 2gdd s LEU 173 N -5.91 4.29 0.00 2.43 1.43 0.87 -1.99 118.68 119.79 2gdd s LEU 173 Ca 0.04 2.04 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 2gdd s LEU 173 Cb 0.07 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.74 2gdd s LEU 173 CO 0.71 -0.78 0.00 0.61 0.23 0.00 0.00 176.35 177.12 2gdd n GLY 173 N 3.75 0.41 3.22 -3.19 0.00 -1.26 -5.03 105.19 103.09 2gdd n GLY 173 Ca 0.14 -1.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.00 2gdd n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gdd s ALA 173 N -2.00 1.33 -0.46 4.61 0.00 -0.84 -5.05 121.76 119.35 2gdd s ALA 173 Ca 0.00 -1.39 0.24 0.00 0.00 0.00 0.00 51.96 50.81 2gdd s ALA 173 Cb 0.00 0.04 0.28 0.00 0.00 0.00 0.00 23.12 23.44 2gdd s ALA 173 CO 0.00 -0.08 1.35 1.88 0.00 0.00 0.00 175.76 178.91 2gdd h TYR 173 N 3.05 0.00 -2.18 0.00 0.05 -1.94 -3.47 116.97 112.48 2gdd h TYR 173 Ca -0.37 0.00 -0.60 0.00 0.05 0.00 0.00 58.73 57.81 2gdd h TYR 173 Cb 1.19 0.00 0.06 0.00 1.01 0.00 0.00 36.73 38.99 2gdd h TYR 173 CO 0.64 0.00 0.71 2.41 -1.05 0.00 0.00 178.16 180.87 2gdd n THR 173 N -2.57 0.06 0.00 -2.88 -1.04 -1.26 -5.17 114.28 101.42 2gdd n THR 173 Ca 0.03 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 2gdd n THR 173 Cb 0.50 -1.39 0.00 0.00 -1.82 0.00 0.00 70.33 67.62 2gdd n THR 173 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2gdd n GLY 173 N 3.15 -3.22 0.00 3.41 0.00 -1.26 -4.92 105.19 102.35 2gdd n GLY 173 Ca 0.17 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2gdd n GLY 173 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gdd n ASP 173 N 0.00 0.00 -4.55 1.61 8.00 -1.26 -4.71 116.55 115.64 2gdd n ASP 173 Ca 0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 2gdd n ASP 173 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 2gdd n ASP 173 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2gdd s VAL 173 N 0.00 5.15 0.05 2.53 1.01 -1.26 -5.04 120.40 122.84 2gdd s VAL 173 Ca 0.00 0.13 -0.31 0.00 0.00 0.00 0.00 61.98 61.81 2gdd s VAL 173 Cb 0.00 -3.82 -0.07 0.00 0.00 0.00 0.00 36.38 32.49 2gdd s VAL 173 CO 0.00 -0.08 1.46 -0.13 0.00 0.00 0.00 175.10 176.35 2gdd s ARG 174 N 2.06 4.27 -0.22 2.72 1.81 -1.26 -4.92 118.95 123.41 2gdd s ARG 174 Ca 0.13 2.08 -0.11 0.00 -1.72 0.00 0.00 55.73 56.11 2gdd s ARG 174 Cb -0.16 -3.49 -0.10 0.00 -0.45 0.00 0.00 34.95 30.75 2gdd s ARG 174 CO 0.12 -0.58 -0.29 -0.89 -0.68 0.00 0.00 175.30 172.98 2gdd n ILE 175 N 4.49 1.25 -3.21 1.52 5.41 -1.26 -4.79 119.36 122.77 2gdd n ILE 175 Ca 0.13 -0.30 -0.43 0.00 1.00 0.00 0.00 62.75 63.15 2gdd n ILE 175 Cb 0.42 -1.82 -0.07 0.00 -0.71 0.00 0.00 39.64 37.46 2gdd n ILE 175 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2gdd s VAL 176 N -2.42 4.96 0.72 1.39 1.01 -1.26 -4.99 120.40 119.79 2gdd s VAL 176 Ca -0.31 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.33 2gdd s VAL 176 Cb 0.12 -4.16 0.06 0.00 0.00 0.00 0.00 36.38 32.40 2gdd s VAL 176 CO 0.40 -0.58 1.03 -0.13 0.00 0.00 0.00 175.10 175.82 2gdd s ARG 177 N 2.46 2.18 0.55 2.72 0.52 -1.26 -4.79 118.95 121.33 2gdd s ARG 177 Ca 0.16 -0.20 0.27 0.00 -0.52 0.00 0.00 55.73 55.43 2gdd s ARG 177 Cb -0.17 -2.14 1.57 0.00 0.52 0.00 0.00 34.95 34.73 2gdd s ARG 177 CO 0.15 -1.27 2.15 -0.44 0.02 0.00 0.00 175.30 175.90 2gdd h ASP 178 N -0.65 0.00 -0.29 0.23 3.32 -1.97 -1.91 116.42 115.15 2gdd h ASP 178 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2gdd h ASP 178 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 2gdd h ASP 178 CO 0.61 0.07 0.00 -0.90 -1.72 0.00 0.00 179.24 177.30 2gdd n ASP 179 N -3.84 2.06 -4.56 6.45 5.75 -1.26 -4.87 116.55 116.27 2gdd n ASP 179 Ca -0.02 -2.12 -0.25 0.00 -0.01 0.00 0.00 54.79 52.39 2gdd n ASP 179 Cb 0.16 -0.32 -0.09 0.00 -1.03 0.00 0.00 41.12 39.84 2gdd n ASP 179 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 2gdd s MET 180 N -1.63 1.91 0.01 0.11 -1.94 -0.72 -1.15 119.30 115.89 2gdd s MET 180 Ca 0.21 -1.80 -0.05 0.00 -1.71 0.00 0.00 55.69 52.35 2gdd s MET 180 Cb 0.13 -1.83 -0.01 0.00 2.01 0.00 0.00 34.83 35.13 2gdd s MET 180 CO 0.12 0.20 0.09 -1.17 -0.01 0.00 0.00 175.02 174.25 2gdd s LEU 181 N -3.62 1.76 0.09 -0.03 2.96 0.23 -4.57 118.68 115.50 2gdd s LEU 181 Ca 0.33 -0.30 0.06 0.00 -0.22 0.00 0.00 54.13 54.00 2gdd s LEU 181 Cb -0.01 0.50 -0.03 0.00 0.50 0.00 0.00 46.19 47.15 2gdd s LEU 181 CO 0.17 -0.35 -0.16 0.00 -1.32 0.00 0.00 176.35 174.69 2gdd s ALA 183 N -1.36 -1.43 0.00 0.00 0.00 -0.37 -1.85 121.76 116.76 2gdd s ALA 183 Ca 0.03 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.80 2gdd s ALA 183 Cb -0.09 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.25 2gdd s ALA 183 CO 0.03 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.77 2gdd n GLY 184 N 0.67 2.05 0.00 0.00 0.00 -0.74 -2.07 105.19 105.10 2gdd n GLY 184 Ca -0.19 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.78 2gdd n GLY 184 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2gdd n ASN 185 N 0.00 0.00 0.00 1.61 0.23 0.09 -4.72 115.26 112.47 2gdd n ASN 185 Ca 0.00 -0.89 0.05 0.00 -0.53 0.00 0.00 54.58 53.21 2gdd n ASN 185 Cb 0.00 0.00 0.29 0.00 -2.08 0.00 0.00 39.78 37.99 2gdd n ASN 185 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2gdd n THR 186 N 0.00 0.31 0.00 5.53 -2.24 -1.26 -2.62 114.28 114.01 2gdd n THR 186 Ca 0.00 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2gdd n THR 186 Cb 0.00 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.32 2gdd n THR 186 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2gdd n ARG 187 N -1.12 1.83 -4.07 -0.78 1.74 -1.26 -4.79 116.66 108.22 2gdd n ARG 187 Ca 0.07 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.92 2gdd n ARG 187 Cb 0.05 -0.83 -0.17 0.00 -1.02 0.00 0.00 32.46 30.50 2gdd n ARG 187 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2gdd s ARG 188 N -1.49 1.09 0.11 5.56 0.52 -1.08 -3.42 118.95 120.24 2gdd s ARG 188 Ca 0.00 -0.14 -0.26 0.00 -0.52 0.00 0.00 55.73 54.82 2gdd s ARG 188 Cb 0.00 -1.15 0.08 0.00 0.52 0.00 0.00 34.95 34.40 2gdd s ARG 188 CO 0.00 -0.17 1.08 0.34 0.02 0.00 0.00 175.30 176.57 2gdd s ASP 189 N 1.34 -0.09 0.23 0.23 -1.08 -1.05 -0.73 116.67 115.53 2gdd s ASP 189 Ca -0.04 -0.41 0.05 0.00 -0.52 0.00 0.00 52.55 51.63 2gdd s ASP 189 Cb -0.14 0.40 -0.03 0.00 -1.46 0.00 0.00 42.92 41.69 2gdd s ASP 189 CO -0.03 -0.76 0.31 -0.94 0.52 0.00 0.00 175.17 174.27 2gdd s SER 190 N -3.14 6.12 0.19 -0.34 1.04 -1.26 -0.71 113.70 115.60 2gdd s SER 190 Ca 0.16 0.00 0.04 0.00 0.48 0.00 0.00 55.95 56.64 2gdd s SER 190 Cb -0.00 -1.75 -0.02 0.00 0.10 0.00 0.00 66.02 64.35 2gdd s SER 190 CO 0.02 -0.04 0.15 0.00 0.98 0.00 0.00 173.24 174.34 2gdd n GLN 192 N -0.36 2.18 0.00 0.00 3.00 -1.26 -1.03 117.38 119.90 2gdd n GLN 192 Ca 0.04 0.80 0.00 0.00 -0.01 0.00 0.00 57.00 57.82 2gdd n GLN 192 Cb 0.33 -2.63 0.00 0.00 0.00 0.00 0.00 30.24 27.94 2gdd n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2gdd n GLY 193 N 4.21 1.97 0.08 1.08 0.00 -1.26 0.16 105.19 111.43 2gdd n GLY 193 Ca 0.21 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.35 2gdd n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gdd n ASP 194 N 0.00 0.72 -4.43 1.61 8.00 -0.20 -3.96 116.55 118.28 2gdd n ASP 194 Ca 0.00 0.13 -0.48 0.00 0.71 0.00 0.00 54.79 55.15 2gdd n ASP 194 Cb 0.00 0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 41.57 2gdd n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2gdd n SER 195 N -2.33 -0.83 0.00 -2.24 7.64 -1.26 -0.55 113.62 114.05 2gdd n SER 195 Ca 0.01 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.03 2gdd n SER 195 Cb 0.49 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 2gdd n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gdd n GLY 196 N 1.88 2.53 3.78 0.23 0.00 0.06 0.68 105.19 114.36 2gdd n GLY 196 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2gdd n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gdd s GLY 197 N -1.99 1.59 0.07 -0.02 0.00 0.28 -3.02 107.32 104.24 2gdd s GLY 197 Ca 0.00 -0.62 -0.13 0.00 0.00 0.00 0.00 44.72 43.97 2gdd s GLY 197 CO 0.00 -0.02 0.44 2.56 0.00 0.00 0.00 173.10 176.08 2gdd s PRO 198 N -5.35 3.87 -0.34 2.90 0.04 -1.26 -1.19 135.00 133.67 2gdd s PRO 198 Ca 0.65 0.34 0.02 0.00 0.04 0.00 0.00 61.00 62.05 2gdd s PRO 198 Cb -0.13 -3.06 0.09 0.00 0.04 0.00 0.00 34.50 31.44 2gdd s PRO 198 CO 0.53 0.59 0.06 -1.17 0.04 0.00 0.00 177.00 177.05 2gdd s LEU 199 N -1.63 4.63 0.00 -3.56 2.96 -0.69 -3.07 118.68 117.32 2gdd s LEU 199 Ca 0.31 -1.97 0.02 0.00 -0.22 0.00 0.00 54.13 52.27 2gdd s LEU 199 Cb -0.15 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 2gdd s LEU 199 CO 0.17 -0.38 -0.03 0.68 -1.32 0.00 0.00 176.35 175.47 2gdd s VAL 200 N 1.00 3.94 -0.01 1.68 -7.23 0.61 -0.49 120.40 119.91 2gdd s VAL 200 Ca 0.07 -0.69 0.04 0.00 -1.81 0.00 0.00 61.98 59.59 2gdd s VAL 200 Cb -0.20 -2.74 -0.01 0.00 0.56 0.00 0.00 36.38 33.98 2gdd s VAL 200 CO -0.06 0.37 -0.14 0.00 -0.31 0.00 0.00 175.10 174.96 2gdd s LYS 202 N -0.41 3.38 -0.11 0.00 2.20 -1.25 -0.83 119.74 122.71 2gdd s LYS 202 Ca 0.05 -0.31 0.01 0.00 -0.36 0.00 0.00 55.97 55.37 2gdd s LYS 202 Cb -0.06 -3.91 0.02 0.00 -1.51 0.00 0.00 37.83 32.38 2gdd s LYS 202 CO -0.00 -0.89 -0.14 0.08 -0.36 0.00 0.00 175.35 174.04 2gdd s VAL 203 N 2.66 1.41 -1.30 4.02 1.01 0.06 -4.70 120.40 123.55 2gdd s VAL 203 Ca 0.21 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 2gdd s VAL 203 Cb -0.15 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 34.93 2gdd s VAL 203 CO 0.17 0.43 1.09 -3.20 0.00 0.00 0.00 175.10 173.58 2gdd n ASN 204 N 4.30 -4.46 -3.07 3.32 5.15 -1.26 -2.37 115.26 116.87 2gdd n ASN 204 Ca -0.18 -0.59 -0.22 0.00 -0.60 0.00 0.00 54.58 52.98 2gdd n ASN 204 Cb 0.51 -5.00 0.05 0.00 -0.53 0.00 0.00 39.78 34.81 2gdd n ASN 204 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2gdd n GLY 205 N -1.64 -0.49 3.43 8.20 0.00 -1.26 -5.01 105.19 108.41 2gdd n GLY 205 Ca -0.12 0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 2gdd n GLY 205 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gdd s THR 206 N -3.20 -0.01 -0.20 2.61 -4.23 -1.00 -5.14 115.64 104.48 2gdd s THR 206 Ca 0.36 0.03 -0.29 0.00 -1.18 0.00 0.00 61.69 60.62 2gdd s THR 206 Cb -0.16 -0.76 -0.00 0.00 1.34 0.00 0.00 72.50 72.92 2gdd s THR 206 CO 0.45 0.01 1.17 0.26 -0.54 0.00 0.00 174.62 175.98 2gdd s TRP 207 N 1.02 3.04 -0.04 3.99 0.52 -1.26 -0.76 118.94 125.44 2gdd s TRP 207 Ca -0.06 1.18 0.07 0.00 0.02 0.00 0.00 56.10 57.31 2gdd s TRP 207 Cb -0.06 -3.43 -0.01 0.00 -1.15 0.00 0.00 33.47 28.81 2gdd s TRP 207 CO -0.09 -1.21 -0.25 -0.51 0.02 0.00 0.00 176.95 174.91 2gdd s LEU 208 N 3.42 2.05 -0.50 2.99 1.43 -0.01 -3.49 118.68 124.57 2gdd s LEU 208 Ca 0.50 -0.48 -0.27 0.00 -1.03 0.00 0.00 54.13 52.86 2gdd s LEU 208 Cb -0.19 -1.32 0.03 0.00 0.03 0.00 0.00 46.19 44.75 2gdd s LEU 208 CO 0.12 0.27 1.02 -1.58 0.23 0.00 0.00 176.35 176.41 2gdd s GLN 209 N -0.35 3.54 0.11 1.70 0.74 -0.65 -0.71 119.66 124.04 2gdd s GLN 209 Ca 0.03 0.21 0.09 0.00 0.05 0.00 0.00 55.36 55.74 2gdd s GLN 209 Cb -0.12 -3.95 -0.18 0.00 1.10 0.00 0.00 33.01 29.86 2gdd s GLN 209 CO 0.01 -1.37 1.17 0.00 -0.55 0.00 0.00 175.29 174.55 2gdd h ALA 210 N 9.22 0.48 -2.97 1.58 0.00 -1.14 -3.37 119.26 123.06 2gdd h ALA 210 Ca -0.24 -0.96 -0.02 0.00 0.00 0.00 0.00 54.91 53.69 2gdd h ALA 210 Cb 1.07 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2gdd h ALA 210 CO 1.09 1.22 0.17 0.20 0.00 0.00 0.00 179.25 181.92 2gdd s GLY 211 N -4.76 0.36 -0.10 0.00 0.00 -1.00 -1.77 107.32 100.04 2gdd s GLY 211 Ca 0.00 -0.70 0.03 0.00 0.00 0.00 0.00 44.72 44.05 2gdd s GLY 211 CO 0.81 -0.35 -0.21 0.14 0.00 0.00 0.00 173.10 173.50 2gdd s VAL 212 N -3.11 1.85 -0.11 1.40 1.01 -0.90 -1.70 120.40 118.84 2gdd s VAL 212 Ca 0.16 -0.88 -0.35 0.00 0.00 0.00 0.00 61.98 60.91 2gdd s VAL 212 Cb -0.04 -1.62 -0.12 0.00 0.00 0.00 0.00 36.38 34.59 2gdd s VAL 212 CO 0.11 0.51 1.88 0.52 0.00 0.00 0.00 175.10 178.12 2gdd n VAL 213 N 3.74 0.56 0.00 2.92 0.31 -0.33 -0.76 118.33 124.77 2gdd n VAL 213 Ca -0.20 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 2gdd n VAL 213 Cb 0.52 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 2gdd n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2gdd n SER 214 N 6.69 0.00 -1.84 4.52 2.88 -0.86 -0.76 113.62 124.25 2gdd n SER 214 Ca 0.23 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.72 2gdd n SER 214 Cb 0.28 -0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 2gdd n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 2gdd n TRP 215 N -2.20 -1.35 0.00 0.66 4.27 -0.90 -4.89 117.44 113.02 2gdd n TRP 215 Ca 0.00 -0.92 0.00 0.00 -3.89 0.00 0.00 57.50 52.69 2gdd n TRP 215 Cb 0.00 0.36 0.00 0.00 -1.36 0.00 0.00 31.31 30.31 2gdd n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2gdd n GLY 216 N -0.25 2.56 3.54 -1.67 0.00 -1.26 -0.36 105.19 107.75 2gdd n GLY 216 Ca -0.02 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 2gdd n GLY 216 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2gdd s GLU 217 N -2.00 3.29 2.66 1.61 2.12 -1.26 -4.85 118.70 120.27 2gdd s GLU 217 Ca 0.00 -0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.12 2gdd s GLU 217 Cb 0.00 -4.12 0.00 0.00 0.26 0.00 0.00 34.13 30.27 2gdd s GLU 217 CO 0.00 -1.84 0.00 0.41 -0.54 0.00 0.00 175.26 173.29 2gdd n GLY 219 N 5.23 -0.00 2.94 -1.50 0.00 -1.26 -4.51 105.19 106.09 2gdd n GLY 219 Ca 0.03 -1.01 -0.21 0.00 0.00 0.00 0.00 46.02 44.83 2gdd n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gdd n ALA 221 N 3.89 -0.98 -2.27 0.00 0.00 -1.26 -4.73 120.51 115.16 2gdd n ALA 221 Ca -0.24 0.17 -0.33 0.00 0.00 0.00 0.00 53.44 53.04 2gdd n ALA 221 Cb 0.51 -3.08 -0.06 0.00 0.00 0.00 0.00 19.45 16.83 2gdd n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2gdd s GLN 221 N -5.75 3.96 0.03 0.00 -1.52 -1.26 -4.23 119.66 110.90 2gdd s GLN 221 Ca 0.30 0.53 -0.35 0.00 -1.95 0.00 0.00 55.36 53.89 2gdd s GLN 221 Cb -0.15 -2.65 -0.14 0.00 -0.22 0.00 0.00 33.01 29.85 2gdd s GLN 221 CO 0.37 0.30 1.62 -2.30 -0.25 0.00 0.00 175.29 175.03 2gdd n PRO 222 N 0.06 1.82 -2.76 2.91 -0.02 -1.26 -1.42 135.00 134.33 2gdd n PRO 222 Ca 0.00 0.66 -0.20 0.00 -2.02 0.00 0.00 63.50 61.95 2gdd n PRO 222 Cb 0.52 -2.41 0.01 0.00 -0.02 0.00 0.00 33.50 31.60 2gdd n PRO 222 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2gdd n ASN 223 N 4.23 -5.20 -3.12 2.55 5.03 -1.26 -4.90 115.26 112.59 2gdd n ASN 223 Ca 0.20 -0.11 -0.20 0.00 0.87 0.00 0.00 54.58 55.33 2gdd n ASN 223 Cb 0.25 -4.29 -0.04 0.00 -1.02 0.00 0.00 39.78 34.68 2gdd n ASN 223 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2gdd n ARG 224 N -3.41 0.78 -1.68 3.52 5.12 -0.51 -3.73 116.66 116.75 2gdd n ARG 224 Ca -0.15 -3.02 -0.33 0.00 -1.93 0.00 0.00 57.85 52.43 2gdd n ARG 224 Cb 0.63 -1.33 0.05 0.00 -1.16 0.00 0.00 32.46 30.65 2gdd n ARG 224 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2gdd s PRO 225 N -1.14 2.73 0.35 5.56 0.04 -1.26 -4.10 135.00 137.18 2gdd s PRO 225 Ca 0.35 1.33 -0.28 0.00 0.04 0.00 0.00 61.00 62.44 2gdd s PRO 225 Cb 0.22 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.70 2gdd s PRO 225 CO -0.12 -1.29 1.44 0.20 0.04 0.00 0.00 177.00 177.27 2gdd s GLY 226 N -2.76 2.88 -0.14 0.56 0.00 -0.88 -4.72 107.32 102.26 2gdd s GLY 226 Ca 0.66 1.48 -0.05 0.00 0.00 0.00 0.00 44.72 46.81 2gdd s GLY 226 CO 0.44 2.19 0.04 -0.42 0.00 0.00 0.00 173.10 175.35 2gdd s ILE 227 N -1.00 4.65 0.11 0.90 -1.09 0.52 -1.24 121.20 124.04 2gdd s ILE 227 Ca 0.53 -0.10 0.07 0.00 -2.23 0.00 0.00 60.65 58.91 2gdd s ILE 227 Cb -0.45 -3.03 -0.03 0.00 -1.58 0.00 0.00 42.46 37.37 2gdd s ILE 227 CO 0.59 0.54 -0.17 -0.31 -1.23 0.00 0.00 174.94 174.35 2gdd s TYR 228 N -0.26 1.53 -0.20 3.97 1.51 0.73 -2.03 117.35 122.59 2gdd s TYR 228 Ca 0.07 -0.47 -0.29 0.00 -1.01 0.00 0.00 57.07 55.37 2gdd s TYR 228 Cb -0.12 -0.82 -0.01 0.00 -0.11 0.00 0.00 41.96 40.90 2gdd s TYR 228 CO 0.02 0.16 1.25 0.99 -1.11 0.00 0.00 175.55 176.86 2gdd s THR 229 N -1.56 4.29 -0.08 -0.71 2.01 0.06 0.77 115.64 120.41 2gdd s THR 229 Ca 0.06 1.54 -0.29 0.00 0.31 0.00 0.00 61.69 63.30 2gdd s THR 229 Cb -0.08 -4.06 -0.06 0.00 0.01 0.00 0.00 72.50 68.31 2gdd s THR 229 CO 0.04 -0.21 1.78 -0.60 -0.69 0.00 0.00 174.62 174.93 2gdd s ARG 230 N 3.62 3.98 0.04 4.92 3.52 -0.30 -2.13 118.95 132.61 2gdd s ARG 230 Ca 0.54 2.16 -0.22 0.00 -0.13 0.00 0.00 55.73 58.08 2gdd s ARG 230 Cb -0.20 -4.08 -0.14 0.00 -1.56 0.00 0.00 34.95 28.97 2gdd s ARG 230 CO 0.16 -1.09 1.46 0.28 -0.81 0.00 0.00 175.30 175.29 2gdd h VAL 231 N 5.87 1.27 -1.10 7.11 2.07 -1.64 -3.08 116.25 126.74 2gdd h VAL 231 Ca -0.41 -0.86 0.31 0.00 0.82 0.00 0.00 66.70 66.56 2gdd h VAL 231 Cb 1.19 1.62 -0.10 0.00 -1.52 0.00 0.00 31.29 32.48 2gdd h VAL 231 CO 0.96 0.25 0.71 0.71 0.02 0.00 0.00 177.57 180.22 2gdd h THR 232 N -0.09 0.43 -0.11 2.57 1.35 -1.87 0.16 112.91 115.34 2gdd h THR 232 Ca 0.03 -0.11 -0.02 0.00 -0.55 0.00 0.00 66.41 65.76 2gdd h THR 232 Cb 0.38 0.09 -0.01 0.00 -1.73 0.00 0.00 68.15 66.89 2gdd h THR 232 CO 0.01 0.06 -0.02 0.22 -0.25 0.00 0.00 175.52 175.53 2gdd h TYR 233 N 0.31 0.16 -0.24 4.73 5.03 -1.90 -2.90 116.97 122.15 2gdd h TYR 233 Ca 0.65 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.92 2gdd h TYR 233 Cb 1.77 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 39.98 2gdd h TYR 233 CO -0.00 0.19 -0.01 0.66 -1.32 0.00 0.00 178.16 177.67 2gdd n TYR 234 N -4.42 0.85 -0.13 -3.82 4.01 0.51 -4.72 117.16 109.44 2gdd n TYR 234 Ca -0.01 -1.03 -0.04 0.00 -0.16 0.00 0.00 57.90 56.66 2gdd n TYR 234 Cb 0.16 -0.33 0.04 0.00 -0.31 0.00 0.00 39.34 38.91 2gdd n TYR 234 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2gdd h LEU 235 N 1.41 -0.02 -1.06 7.72 4.07 -1.26 -1.25 115.31 124.92 2gdd h LEU 235 Ca 0.04 0.08 -0.02 0.00 0.08 0.00 0.00 57.88 58.06 2gdd h LEU 235 Cb 1.43 0.11 -0.04 0.00 1.08 0.00 0.00 40.66 43.25 2gdd h LEU 235 CO 0.23 0.02 0.39 0.44 -1.08 0.00 0.00 178.44 178.44 2gdd h ASP 236 N 0.20 0.94 -0.53 -0.43 3.32 -1.84 0.01 116.42 118.09 2gdd h ASP 236 Ca 0.21 -0.09 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 2gdd h ASP 236 Cb 0.27 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 2gdd h ASP 236 CO -0.29 0.78 -0.12 -0.25 -1.72 0.00 0.00 179.24 177.63 2gdd h TRP 237 N 1.05 1.15 0.17 4.55 7.01 -1.76 -2.29 115.95 125.82 2gdd h TRP 237 Ca 0.26 -0.24 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 2gdd h TRP 237 Cb 0.06 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 26.84 2gdd h TRP 237 CO 0.01 1.07 -0.08 0.82 -2.79 0.00 0.00 178.44 177.46 2gdd h ILE 238 N 0.90 0.92 0.00 2.65 2.04 -0.82 -2.84 117.51 120.37 2gdd h ILE 238 Ca 0.14 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.61 2gdd h ILE 238 Cb 0.69 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 2gdd h ILE 238 CO 0.05 0.09 0.00 1.41 0.00 0.00 0.00 178.15 179.70 2gdd n HIS 239 N -5.10 0.00 0.26 1.37 8.25 -0.05 -0.45 115.22 119.49 2gdd n HIS 239 Ca -0.09 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.52 2gdd n HIS 239 Cb 0.18 -0.45 0.56 0.00 1.12 0.00 0.00 29.99 31.40 2gdd n HIS 239 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2gdd h HIS 240 N 0.00 0.00 0.00 4.41 6.17 -1.15 -3.35 115.15 121.23 2gdd h HIS 240 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.07 2gdd h HIS 240 Cb 0.13 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.06 2gdd h HIS 240 CO 0.00 0.07 -1.05 0.66 0.71 0.00 0.00 177.93 178.31 2gdd n TYR 241 N -3.18 0.00 -3.23 5.26 4.01 -0.34 -5.02 117.16 114.67 2gdd n TYR 241 Ca 0.01 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.34 2gdd n TYR 241 Cb 0.37 -0.04 -0.08 0.00 -0.31 0.00 0.00 39.34 39.29 2gdd n TYR 241 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2gdd s VAL 242 N -2.02 5.04 0.00 -0.72 1.01 0.40 -5.08 120.40 119.04 2gdd s VAL 242 Ca -0.01 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.70 2gdd s VAL 242 Cb 0.00 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2gdd s VAL 242 CO 0.02 -0.01 0.00 -2.65 0.00 0.00 0.00 175.10 172.46 2gdd n PRO 243 N 5.63 1.83 0.00 2.72 -0.02 -1.26 -4.35 135.00 139.55 2gdd n PRO 243 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 2gdd n PRO 243 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.97 2gdd n PRO 243 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11