#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 5.24 -0.90 1.39 1.01 0.15 -4.22 120.40 123.08 2gdd s VAL 17 Ca 0.00 0.76 -0.01 0.00 0.00 0.00 0.00 61.98 62.73 2gdd s VAL 17 Cb 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2gdd s VAL 17 CO 0.00 0.35 0.14 0.61 0.00 0.00 0.00 175.10 176.20 2gdd n GLY 18 N 3.36 -0.04 0.00 4.51 0.00 -1.23 -2.41 105.19 109.39 2gdd n GLY 18 Ca -0.09 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.08 2.52 3.30 -0.02 0.00 -1.26 -4.85 105.19 103.80 2gdd n GLY 19 Ca -0.10 -1.89 -0.10 0.00 0.00 0.00 0.00 46.02 43.92 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 3.57 1.02 0.33 1.61 -2.07 -0.89 -4.96 119.66 118.27 2gdd s GLN 20 Ca 0.00 -0.71 -0.29 0.00 -1.82 0.00 0.00 55.36 52.54 2gdd s GLN 20 Cb 0.00 0.44 -0.11 0.00 -1.09 0.00 0.00 33.01 32.26 2gdd s GLN 20 CO 0.00 -0.38 1.48 -2.00 -1.32 0.00 0.00 175.29 173.06 2gdd s GLU 21 N -3.67 4.17 0.28 9.60 2.12 -1.26 -2.04 118.70 127.90 2gdd s GLU 21 Ca 0.02 2.48 -0.23 0.00 0.36 0.00 0.00 54.97 57.60 2gdd s GLU 21 Cb 0.02 -3.02 -0.09 0.00 0.26 0.00 0.00 34.13 31.30 2gdd s GLU 21 CO -0.11 -0.49 0.85 0.00 -0.54 0.00 0.00 175.26 174.97 2gdd s ALA 22 N -0.69 3.30 0.58 6.30 0.00 0.43 -4.82 121.76 126.86 2gdd s ALA 22 Ca 0.56 0.37 -0.20 0.00 0.00 0.00 0.00 51.96 52.69 2gdd s ALA 22 Cb -0.45 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 2gdd s ALA 22 CO 0.55 0.24 1.24 -2.14 0.00 0.00 0.00 175.76 175.65 2gdd s PRO 23 N -2.01 3.04 0.55 0.00 0.02 -1.26 -4.88 135.00 130.46 2gdd s PRO 23 Ca 0.47 1.93 0.25 0.00 0.02 0.00 0.00 61.00 63.67 2gdd s PRO 23 Cb -0.18 -2.04 1.48 0.00 0.02 0.00 0.00 34.50 33.78 2gdd s PRO 23 CO 0.23 -1.18 2.06 0.00 -0.33 0.00 0.00 177.00 177.77 2gdd h ARG 24 N 1.09 0.00 -0.04 5.54 3.08 -2.00 -1.87 114.38 120.18 2gdd h ARG 24 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2gdd h ARG 24 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2gdd h ARG 24 CO 0.56 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 178.33 2gdd n SER 25 N -4.16 0.52 -4.52 7.04 3.41 -1.26 -4.89 113.62 109.76 2gdd n SER 25 Ca 0.04 -1.45 -0.28 0.00 -0.26 0.00 0.00 58.87 56.92 2gdd n SER 25 Cb 0.41 -0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.23 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 -1.95 1.90 -0.93 4.33 1.02 -0.70 -4.76 119.74 118.65 2gdd s LYS 26 Ca 0.32 -1.23 -0.03 0.00 0.02 0.00 0.00 55.97 55.04 2gdd s LYS 26 Cb 0.16 -2.12 -0.04 0.00 -0.52 0.00 0.00 37.83 35.30 2gdd s LYS 26 CO 0.25 0.46 0.80 0.91 -0.92 0.00 0.00 175.35 176.85 2gdd n TRP 27 N 0.44 -2.01 0.28 3.18 5.03 -1.26 -4.88 117.44 118.22 2gdd n TRP 27 Ca -0.13 0.75 0.16 0.00 3.03 0.00 0.00 57.50 61.30 2gdd n TRP 27 Cb 0.54 -4.10 0.76 0.00 -1.03 0.00 0.00 31.31 27.48 2gdd n TRP 27 CO 0.00 0.00 0.00 -1.35 -0.03 0.00 0.00 177.69 176.31 2gdd h PRO 28 N -1.13 0.00 0.00 -0.99 0.11 -1.86 -2.72 132.00 125.42 2gdd h PRO 28 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2gdd h PRO 28 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2gdd h PRO 28 CO 0.39 0.00 -0.85 -2.67 -0.21 0.00 0.00 178.00 174.66 2gdd n TRP 29 N -2.62 0.32 -1.72 0.65 2.14 -1.19 -2.91 117.44 112.12 2gdd n TRP 29 Ca -0.01 0.09 -0.43 0.00 2.07 0.00 0.00 57.50 59.23 2gdd n TRP 29 Cb 0.13 -0.48 -0.02 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 -1.95 2.50 -4.38 -2.67 -0.06 -1.03 -1.48 117.38 108.30 2gdd n GLN 30 Ca 0.03 0.89 -0.19 0.00 -2.00 0.00 0.00 57.00 55.73 2gdd n GLN 30 Cb 0.42 -2.64 -0.10 0.00 -4.06 0.00 0.00 30.24 23.86 2gdd n GLN 30 CO 0.00 0.00 0.00 0.14 -0.20 0.00 0.00 177.06 177.00 2gdd s VAL 31 N 0.11 0.95 -0.05 1.69 -7.23 -0.95 -2.04 120.40 112.89 2gdd s VAL 31 Ca 0.67 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.86 2gdd s VAL 31 Cb -0.55 -2.66 0.01 0.00 0.56 0.00 0.00 36.38 33.74 2gdd s VAL 31 CO 0.47 -0.06 -0.12 -0.55 -0.31 0.00 0.00 175.10 174.53 2gdd s SER 32 N -3.40 1.70 -0.06 4.85 0.15 0.03 -2.91 113.70 114.07 2gdd s SER 32 Ca 0.36 -0.28 -0.15 0.00 0.70 0.00 0.00 55.95 56.58 2gdd s SER 32 Cb 0.08 -0.69 -0.05 0.00 -1.71 0.00 0.00 66.02 63.65 2gdd s SER 32 CO 0.14 0.05 0.38 -0.76 1.20 0.00 0.00 173.24 174.25 2gdd s LEU 33 N 0.50 4.39 -0.02 3.45 1.43 0.70 -0.37 118.68 128.77 2gdd s LEU 33 Ca -0.11 0.82 0.07 0.00 -1.03 0.00 0.00 54.13 53.87 2gdd s LEU 33 Cb -0.14 -2.53 -0.02 0.00 0.03 0.00 0.00 46.19 43.54 2gdd s LEU 33 CO 0.03 0.23 -0.21 -0.13 0.23 0.00 0.00 176.35 176.50 2gdd s ARG 34 N -0.49 1.72 -0.04 1.70 1.81 0.14 -1.96 118.95 121.83 2gdd s ARG 34 Ca 0.22 -0.76 0.03 0.00 -1.72 0.00 0.00 55.73 53.50 2gdd s ARG 34 Cb -0.15 -1.66 -0.03 0.00 -0.45 0.00 0.00 34.95 32.65 2gdd s ARG 34 CO 0.10 0.46 -0.12 0.54 -0.68 0.00 0.00 175.30 175.60 2gdd s VAL 35 N -0.50 3.28 0.23 3.52 0.11 -0.60 -0.90 120.40 125.54 2gdd s VAL 35 Ca 0.08 -0.71 -0.30 0.00 -2.93 0.00 0.00 61.98 58.12 2gdd s VAL 35 Cb -0.08 -2.33 -0.09 0.00 -1.53 0.00 0.00 36.38 32.35 2gdd s VAL 35 CO -0.01 0.54 1.34 -2.28 -3.33 0.00 0.00 175.10 171.36 2gdd s HIS 36 N -0.81 3.18 0.00 1.54 2.46 0.24 -2.71 115.29 119.19 2gdd s HIS 36 Ca 0.13 1.19 0.00 0.00 0.47 0.00 0.00 55.06 56.85 2gdd s HIS 36 Cb -0.11 -3.66 0.00 0.00 -0.13 0.00 0.00 32.58 28.68 2gdd s HIS 36 CO 0.02 -2.08 0.00 0.41 -2.47 0.00 0.00 174.74 170.63 2gdd n GLY 37 N 2.15 1.76 0.53 1.59 0.00 -1.26 -4.96 105.19 104.99 2gdd n GLY 37 Ca 0.06 -0.42 0.35 0.00 0.00 0.00 0.00 46.02 46.00 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 0.06 -3.03 1.61 0.11 -2.04 -3.41 132.00 125.30 2gdd h PRO 37 Ca 0.00 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 2gdd h PRO 37 Cb 0.00 -0.01 -0.13 0.00 0.11 0.00 0.00 31.00 30.97 2gdd h PRO 37 CO 0.00 0.04 0.14 1.52 -0.21 0.00 0.00 178.00 179.49 2gdd s TYR 37 N -5.03 -0.47 -0.99 0.65 1.13 -1.26 -5.07 117.35 106.31 2gdd s TYR 37 Ca -0.06 0.27 -0.24 0.00 -1.41 0.00 0.00 57.07 55.64 2gdd s TYR 37 Cb 0.24 0.48 -0.07 0.00 -1.10 0.00 0.00 41.96 41.50 2gdd s TYR 37 CO 0.81 -0.80 1.98 -1.58 -2.51 0.00 0.00 175.55 173.46 2gdd s TRP 38 N -3.59 1.79 0.20 -3.49 0.52 -1.26 -4.77 118.94 108.34 2gdd s TRP 38 Ca 0.01 0.74 -0.30 0.00 0.02 0.00 0.00 56.10 56.56 2gdd s TRP 38 Cb -0.00 -3.96 -0.08 0.00 -1.15 0.00 0.00 33.47 28.28 2gdd s TRP 38 CO -0.11 -1.52 1.00 1.41 0.02 0.00 0.00 176.95 177.74 2gdd s MET 39 N 7.02 4.73 0.04 4.98 1.75 -1.10 -4.74 119.30 131.99 2gdd s MET 39 Ca 0.71 1.57 -0.30 0.00 -1.25 0.00 0.00 55.69 56.42 2gdd s MET 39 Cb -0.05 -3.29 -0.05 0.00 2.84 0.00 0.00 34.83 34.28 2gdd s MET 39 CO 0.05 0.31 1.15 -1.58 -0.65 0.00 0.00 175.02 174.29 2gdd s HIS 40 N -0.67 3.48 0.00 4.11 2.46 -1.26 -1.55 115.29 121.86 2gdd s HIS 40 Ca 0.45 1.39 0.00 0.00 0.47 0.00 0.00 55.06 57.36 2gdd s HIS 40 Cb -0.27 -3.35 0.00 0.00 -0.13 0.00 0.00 32.58 28.83 2gdd s HIS 40 CO 0.33 -1.00 0.00 1.97 -2.47 0.00 0.00 174.74 173.57 2gdd n PHE 41 N 3.97 0.00 -3.72 3.88 -1.74 -0.83 -4.98 117.46 114.05 2gdd n PHE 41 Ca 0.08 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.88 2gdd n PHE 41 Cb 0.47 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.44 2gdd n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2gdd n GLY 43 N -0.34 2.24 0.44 0.00 0.00 0.72 -0.22 105.19 108.03 2gdd n GLY 43 Ca -0.10 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.69 2gdd n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gdd n GLY 44 N -0.30 0.87 3.25 -0.02 0.00 -1.14 -3.52 105.19 104.33 2gdd n GLY 44 Ca 0.08 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 2gdd n GLY 44 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gdd s SER 45 N -1.30 -0.34 -0.21 1.61 1.04 0.10 -2.23 113.70 112.36 2gdd s SER 45 Ca 0.03 0.60 -0.27 0.00 0.48 0.00 0.00 55.95 56.79 2gdd s SER 45 Cb -0.00 0.65 -0.00 0.00 0.10 0.00 0.00 66.02 66.76 2gdd s SER 45 CO 0.00 -0.19 0.93 -0.22 0.98 0.00 0.00 173.24 174.75 2gdd s LEU 46 N -0.12 4.12 0.00 2.42 2.96 -0.55 -0.12 118.68 127.40 2gdd s LEU 46 Ca -0.03 1.25 0.04 0.00 -0.22 0.00 0.00 54.13 55.18 2gdd s LEU 46 Cb -0.03 -3.38 0.04 0.00 0.50 0.00 0.00 46.19 43.32 2gdd s LEU 46 CO 0.01 -0.55 0.65 2.30 -1.32 0.00 0.00 176.35 177.45 2gdd n ILE 47 N 5.11 0.06 -3.60 6.68 -5.35 -0.69 -0.78 119.36 120.78 2gdd n ILE 47 Ca 0.08 -0.53 -0.09 0.00 -0.27 0.00 0.00 62.75 61.94 2gdd n ILE 47 Cb 0.47 1.05 -0.06 0.00 -1.74 0.00 0.00 39.64 39.36 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 -0.37 -0.36 0.57 4.28 5.04 -1.15 -4.77 115.29 118.52 2gdd s HIS 48 Ca 0.05 0.73 0.39 0.00 -1.54 0.00 0.00 55.06 54.69 2gdd s HIS 48 Cb 0.03 0.43 1.49 0.00 0.04 0.00 0.00 32.58 34.57 2gdd s HIS 48 CO 0.05 -0.27 1.63 -1.35 -2.34 0.00 0.00 174.74 172.46 2gdd h PRO 49 N 3.07 0.00 -0.07 2.88 0.11 -1.95 0.32 132.00 136.37 2gdd h PRO 49 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2gdd h PRO 49 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2gdd h PRO 49 CO 0.23 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.06 2gdd n GLN 50 N -3.86 1.75 -4.43 1.05 6.02 -1.26 -0.47 117.38 116.18 2gdd n GLN 50 Ca 0.30 -1.32 -0.19 0.00 -0.01 0.00 0.00 57.00 55.78 2gdd n GLN 50 Cb 1.53 -1.07 -0.15 0.00 1.02 0.00 0.00 30.24 31.57 2gdd n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2gdd s TRP 51 N -0.75 0.91 -0.08 1.08 0.52 0.10 -1.05 118.94 119.68 2gdd s TRP 51 Ca 0.06 -0.17 0.05 0.00 0.02 0.00 0.00 56.10 56.05 2gdd s TRP 51 Cb 0.03 -0.58 -0.01 0.00 -1.15 0.00 0.00 33.47 31.76 2gdd s TRP 51 CO 0.04 -0.02 -0.24 0.08 0.02 0.00 0.00 176.95 176.83 2gdd s VAL 52 N -0.25 2.08 -0.17 4.03 1.01 -0.33 -1.70 120.40 125.07 2gdd s VAL 52 Ca 0.04 -1.04 -0.09 0.00 0.00 0.00 0.00 61.98 60.89 2gdd s VAL 52 Cb -0.04 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 2gdd s VAL 52 CO -0.00 0.57 0.13 -0.22 0.00 0.00 0.00 175.10 175.57 2gdd s LEU 53 N 0.04 4.25 0.00 3.92 2.96 0.83 -0.90 118.68 129.78 2gdd s LEU 53 Ca -0.10 0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 54.11 2gdd s LEU 53 Cb -0.15 -2.08 0.00 0.00 0.50 0.00 0.00 46.19 44.46 2gdd s LEU 53 CO 0.06 0.25 0.16 1.07 -1.32 0.00 0.00 176.35 176.57 2gdd n THR 54 N 3.02 0.00 -3.39 3.68 5.66 -0.65 -0.73 114.28 121.87 2gdd n THR 54 Ca -0.17 -0.56 -0.37 0.00 -3.05 0.00 0.00 64.05 59.89 2gdd n THR 54 Cb 0.53 0.35 -0.06 0.00 -1.55 0.00 0.00 70.33 69.60 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 -1.93 3.63 0.35 1.79 0.00 -1.26 -1.07 121.76 123.27 2gdd s ALA 55 Ca 0.09 -0.12 0.24 0.00 0.00 0.00 0.00 51.96 52.18 2gdd s ALA 55 Cb -0.00 -2.50 1.23 0.00 0.00 0.00 0.00 23.12 21.84 2gdd s ALA 55 CO 0.07 0.45 1.98 0.00 0.00 0.00 0.00 175.76 178.26 2gdd h ALA 56 N 4.24 1.25 0.00 0.00 0.00 -1.66 -2.39 119.26 120.70 2gdd h ALA 56 Ca -0.50 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2gdd h ALA 56 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2gdd h ALA 56 CO 0.64 0.22 0.00 -2.39 0.00 0.00 0.00 179.25 177.72 2gdd n HIS 57 N -3.66 0.58 0.06 0.00 1.44 -1.26 -0.30 115.22 112.07 2gdd n HIS 57 Ca -0.01 0.20 -0.09 0.00 -2.01 0.00 0.00 57.72 55.80 2gdd n HIS 57 Cb 0.30 -0.82 0.04 0.00 0.12 0.00 0.00 29.99 29.64 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 -3.83 0.03 -3.32 0.00 0.24 -1.08 -5.02 118.33 105.34 2gdd n VAL 59 Ca -0.04 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.76 2gdd n VAL 59 Cb 0.69 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 34.07 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 -0.01 4.66 0.15 7.63 0.00 0.59 -4.57 105.19 113.63 2gdd n GLY 60 Ca 0.00 -1.48 0.13 0.00 0.00 0.00 0.00 46.02 44.67 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 -6.73 1.61 0.13 -1.80 -3.41 132.00 121.80 2gdd h PRO 60 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 2gdd h PRO 60 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 2gdd h PRO 60 CO 0.00 0.00 0.21 -0.51 -0.23 0.00 0.00 178.00 177.47 2gdd s ASP 60 N -4.45 7.15 0.24 1.44 1.01 -1.26 -5.02 116.67 115.78 2gdd s ASP 60 Ca 0.04 1.59 -0.30 0.00 0.71 0.00 0.00 52.55 54.60 2gdd s ASP 60 Cb 0.09 -2.49 -0.09 0.00 1.01 0.00 0.00 42.92 41.44 2gdd s ASP 60 CO 0.42 -0.04 1.31 -0.69 0.21 0.00 0.00 175.17 176.38 2gdd s VAL 60 N -1.63 3.05 0.41 -1.27 1.01 -1.26 -5.01 120.40 115.70 2gdd s VAL 60 Ca 0.48 0.92 0.07 0.00 0.00 0.00 0.00 61.98 63.44 2gdd s VAL 60 Cb -0.17 -3.58 -0.06 0.00 0.00 0.00 0.00 36.38 32.57 2gdd s VAL 60 CO 0.21 0.16 0.16 -0.54 0.00 0.00 0.00 175.10 175.09 2gdd s LYS 60 N -0.61 2.19 -0.57 2.72 -0.14 -1.26 -5.08 119.74 116.99 2gdd s LYS 60 Ca 0.54 -1.87 -0.26 0.00 -1.36 0.00 0.00 55.97 53.03 2gdd s LYS 60 Cb -0.38 -1.94 0.04 0.00 -1.68 0.00 0.00 37.83 33.87 2gdd s LYS 60 CO 0.42 -0.10 1.07 0.34 -0.76 0.00 0.00 175.35 176.32 2gdd s ASP 60 N -3.88 6.39 0.28 2.83 -1.08 -1.26 -4.91 116.67 115.04 2gdd s ASP 60 Ca 0.40 -0.14 0.01 0.00 -0.52 0.00 0.00 52.55 52.31 2gdd s ASP 60 Cb 0.04 -2.49 0.67 0.00 -1.46 0.00 0.00 42.92 39.68 2gdd s ASP 60 CO 0.22 -1.36 1.68 -0.07 0.52 0.00 0.00 175.17 176.17 2gdd h LEU 61 N 11.45 0.19 -1.71 -1.34 3.38 -1.95 -0.49 115.31 124.85 2gdd h LEU 61 Ca -0.26 0.16 0.21 0.00 0.09 0.00 0.00 57.88 58.09 2gdd h LEU 61 Cb 1.06 0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.94 2gdd h LEU 61 CO 1.14 -0.04 0.58 0.00 0.09 0.00 0.00 178.44 180.21 2gdd h ALA 62 N 1.70 2.42 -0.12 1.53 0.00 -1.91 0.15 119.26 123.03 2gdd h ALA 62 Ca 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2gdd h ALA 62 Cb 0.99 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2gdd h ALA 62 CO -0.55 -0.68 0.00 0.00 0.00 0.00 0.00 179.25 178.02 2gdd n ALA 63 N -2.59 2.69 -2.60 0.00 0.00 -0.19 -4.82 120.51 113.00 2gdd n ALA 63 Ca 0.18 -0.34 -0.23 0.00 0.00 0.00 0.00 53.44 53.05 2gdd n ALA 63 Cb 0.76 -1.01 -0.15 0.00 0.00 0.00 0.00 19.45 19.04 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 -0.67 2.00 0.05 0.00 2.96 0.51 -0.59 118.68 122.95 2gdd s LEU 64 Ca 0.10 -0.28 -0.09 0.00 -0.22 0.00 0.00 54.13 53.65 2gdd s LEU 64 Cb 0.07 -0.80 -0.00 0.00 0.50 0.00 0.00 46.19 45.96 2gdd s LEU 64 CO 0.04 0.18 0.18 -0.13 -1.32 0.00 0.00 176.35 175.30 2gdd s ARG 65 N -0.29 0.71 -0.04 1.98 1.81 -0.08 -4.14 118.95 118.90 2gdd s ARG 65 Ca 0.04 -0.73 0.07 0.00 -1.72 0.00 0.00 55.73 53.39 2gdd s ARG 65 Cb -0.07 0.29 -0.02 0.00 -0.45 0.00 0.00 34.95 34.71 2gdd s ARG 65 CO -0.00 -0.21 -0.25 0.08 -0.68 0.00 0.00 175.30 174.24 2gdd s VAL 66 N -2.88 2.10 -0.18 3.52 1.01 -0.48 0.24 120.40 123.74 2gdd s VAL 66 Ca -0.03 -1.07 -0.02 0.00 0.00 0.00 0.00 61.98 60.86 2gdd s VAL 66 Cb 0.00 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 2gdd s VAL 66 CO -0.06 0.58 -0.09 -1.58 0.00 0.00 0.00 175.10 173.95 2gdd s GLN 67 N -0.39 3.36 0.97 2.72 2.00 0.50 -0.84 119.66 127.99 2gdd s GLN 67 Ca 0.03 -0.66 -0.13 0.00 -2.00 0.00 0.00 55.36 52.60 2gdd s GLN 67 Cb -0.12 -2.83 0.17 0.00 0.80 0.00 0.00 33.01 31.04 2gdd s GLN 67 CO 0.01 -0.02 1.13 -0.51 -0.50 0.00 0.00 175.29 175.40 2gdd s LEU 68 N 0.99 1.76 0.02 3.68 1.02 -1.26 -0.79 118.68 124.10 2gdd s LEU 68 Ca -0.01 0.96 -0.30 0.00 0.02 0.00 0.00 54.13 54.80 2gdd s LEU 68 Cb -0.15 -3.16 -0.15 0.00 0.02 0.00 0.00 46.19 42.75 2gdd s LEU 68 CO -0.01 -2.91 0.78 -1.14 0.02 0.00 0.00 176.35 173.09 2gdd n ARG 69 N -4.00 0.00 -3.94 1.70 0.63 -0.87 -4.76 116.66 105.42 2gdd n ARG 69 Ca 0.07 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.85 2gdd n ARG 69 Cb 0.59 -1.13 -0.15 0.00 0.45 0.00 0.00 32.46 32.22 2gdd n ARG 69 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 2gdd s GLU 70 N -0.11 0.18 0.18 -0.14 2.12 -1.26 -5.04 118.70 114.63 2gdd s GLU 70 Ca 0.69 -0.00 -0.05 0.00 0.36 0.00 0.00 54.97 55.97 2gdd s GLU 70 Cb -0.96 -0.26 0.08 0.00 0.26 0.00 0.00 34.13 33.25 2gdd s GLU 70 CO 0.45 -0.03 1.49 0.37 -0.54 0.00 0.00 175.26 177.00 2gdd h GLN 71 N 6.54 0.63 -3.98 4.30 5.75 -1.93 -3.42 115.11 122.99 2gdd h GLN 71 Ca -0.33 -0.39 -0.44 0.00 -0.15 0.00 0.00 58.65 57.35 2gdd h GLN 71 Cb 1.17 0.04 -0.36 0.00 1.07 0.00 0.00 27.48 29.41 2gdd h GLN 71 CO 0.50 1.00 -0.78 -1.01 -2.65 0.00 0.00 178.83 175.89 2gdd s HIS 72 N -4.05 0.86 0.27 3.99 3.76 -1.26 -1.86 115.29 117.00 2gdd s HIS 72 Ca -0.08 -0.28 -0.30 0.00 -0.15 0.00 0.00 55.06 54.25 2gdd s HIS 72 Cb 0.11 -0.81 -0.13 0.00 1.11 0.00 0.00 32.58 32.86 2gdd s HIS 72 CO 0.85 -0.28 1.33 1.28 -0.85 0.00 0.00 174.74 177.07 2gdd n LEU 73 N 4.51 3.03 0.00 0.89 4.77 -0.39 -2.44 117.00 127.37 2gdd n LEU 73 Ca -0.17 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.97 2gdd n LEU 73 Cb 0.50 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.17 2gdd n LEU 73 CO 0.18 -0.61 0.00 -1.22 -1.33 0.00 0.00 177.39 174.42 2gdd n TYR 74 N 1.31 0.00 0.41 -1.77 4.01 -1.26 -4.81 117.16 115.04 2gdd n TYR 74 Ca 0.10 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.65 2gdd n TYR 74 Cb 0.32 -0.11 -0.09 0.00 -0.31 0.00 0.00 39.34 39.15 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 -0.95 -1.71 -0.72 3.20 -1.83 -3.34 116.97 111.62 2gdd h TYR 75 Ca 0.00 -0.02 -0.61 0.00 3.14 0.00 0.00 58.73 61.24 2gdd h TYR 75 Cb 0.00 0.31 -0.41 0.00 1.54 0.00 0.00 36.73 38.18 2gdd h TYR 75 CO 0.00 -0.58 -0.54 1.04 -1.64 0.00 0.00 178.16 176.44 2gdd n GLN 79 N -5.52 3.38 -1.77 1.82 1.13 -1.26 -5.08 117.38 110.09 2gdd n GLN 79 Ca -0.14 -4.50 -0.42 0.00 -1.94 0.00 0.00 57.00 50.00 2gdd n GLN 79 Cb 0.42 -2.25 -0.02 0.00 0.11 0.00 0.00 30.24 28.49 2gdd n GLN 79 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2gdd s ASP 80 N -3.30 6.40 -0.41 1.08 1.11 -1.26 -4.95 116.67 115.35 2gdd s ASP 80 Ca 0.48 2.87 0.07 0.00 0.18 0.00 0.00 52.55 56.16 2gdd s ASP 80 Cb 0.38 -2.61 0.23 0.00 1.07 0.00 0.00 42.92 41.98 2gdd s ASP 80 CO -0.20 -0.94 0.53 0.00 1.18 0.00 0.00 175.17 175.75 2gdd n GLN 81 N 3.30 0.59 -1.85 8.23 6.02 -1.26 -5.13 117.38 127.28 2gdd n GLN 81 Ca 0.13 -3.00 -0.41 0.00 -0.01 0.00 0.00 57.00 53.71 2gdd n GLN 81 Cb 0.36 -1.35 -0.01 0.00 1.02 0.00 0.00 30.24 30.26 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 -0.77 4.34 -0.13 1.08 1.43 -1.26 -4.68 118.68 118.69 2gdd s LEU 82 Ca 0.34 2.97 0.01 0.00 -1.03 0.00 0.00 54.13 56.42 2gdd s LEU 82 Cb 0.14 -3.66 -0.01 0.00 0.03 0.00 0.00 46.19 42.69 2gdd s LEU 82 CO -0.14 -0.83 -0.16 -0.76 0.23 0.00 0.00 176.35 174.69 2gdd s LEU 83 N -1.75 2.53 0.70 1.79 1.43 -0.02 -4.93 118.68 118.44 2gdd s LEU 83 Ca 0.54 -0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 53.11 2gdd s LEU 83 Cb -0.46 -1.56 0.02 0.00 0.03 0.00 0.00 46.19 44.22 2gdd s LEU 83 CO 0.59 0.15 1.09 -2.16 0.23 0.00 0.00 176.35 176.25 2gdd s PRO 84 N 0.42 2.68 -0.13 1.29 0.04 -1.26 -1.38 135.00 136.65 2gdd s PRO 84 Ca -0.12 1.24 -0.00 0.00 0.04 0.00 0.00 61.00 62.16 2gdd s PRO 84 Cb -0.16 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 2gdd s PRO 84 CO 0.06 -1.33 -0.12 0.08 0.04 0.00 0.00 177.00 175.73 2gdd s VAL 85 N -2.63 3.17 -0.08 -0.36 1.01 -1.26 -2.54 120.40 117.72 2gdd s VAL 85 Ca 0.64 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 62.07 2gdd s VAL 85 Cb -0.18 -2.33 -0.24 0.00 0.00 0.00 0.00 36.38 33.63 2gdd s VAL 85 CO 0.48 0.53 0.53 -1.54 0.00 0.00 0.00 175.10 175.10 2gdd n SER 86 N 3.41 1.15 -3.85 3.32 3.41 0.07 -4.81 113.62 116.33 2gdd n SER 86 Ca -0.18 0.33 -0.12 0.00 -0.26 0.00 0.00 58.87 58.64 2gdd n SER 86 Cb 0.53 -0.20 -0.13 0.00 -0.26 0.00 0.00 64.21 64.15 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 0.17 -0.24 4.33 3.52 -1.14 -4.99 118.95 118.01 2gdd s ARG 87 Ca -0.10 0.00 0.01 0.00 -0.13 0.00 0.00 55.73 55.51 2gdd s ARG 87 Cb 0.08 0.08 0.04 0.00 -1.56 0.00 0.00 34.95 33.58 2gdd s ARG 87 CO 0.81 -0.03 -0.11 0.42 -0.81 0.00 0.00 175.30 175.58 2gdd s ILE 88 N -0.25 2.39 -0.29 4.11 -1.09 -1.26 -1.09 121.20 123.72 2gdd s ILE 88 Ca -0.03 -1.32 -0.02 0.00 -2.23 0.00 0.00 60.65 57.05 2gdd s ILE 88 Cb -0.02 -2.27 0.04 0.00 -1.58 0.00 0.00 42.46 38.63 2gdd s ILE 88 CO 0.00 0.14 -0.02 -0.63 -1.23 0.00 0.00 174.94 173.21 2gdd s ILE 89 N 1.21 2.95 -0.14 2.92 1.01 0.82 -4.99 121.20 124.98 2gdd s ILE 89 Ca -0.03 -1.30 -0.04 0.00 0.00 0.00 0.00 60.65 59.28 2gdd s ILE 89 Cb -0.18 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.61 2gdd s ILE 89 CO -0.06 -0.03 -0.00 -0.69 0.00 0.00 0.00 174.94 174.16 2gdd s VAL 90 N 1.27 4.24 -0.12 2.92 1.01 -1.26 0.23 120.40 128.69 2gdd s VAL 90 Ca -0.04 -0.24 -0.38 0.00 0.00 0.00 0.00 61.98 61.32 2gdd s VAL 90 Cb -0.19 -2.85 -0.15 0.00 0.00 0.00 0.00 36.38 33.19 2gdd s VAL 90 CO -0.02 0.51 1.64 1.57 0.00 0.00 0.00 175.10 178.81 2gdd n HIS 91 N 3.18 1.97 0.25 5.22 -0.00 -1.05 -4.80 115.22 119.99 2gdd n HIS 91 Ca -0.17 0.46 0.18 0.00 0.46 0.00 0.00 57.72 58.64 2gdd n HIS 91 Cb 0.53 -2.46 0.89 0.00 -0.12 0.00 0.00 29.99 28.82 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 6.71 0.00 0.00 1.57 0.13 -1.93 -1.73 132.00 136.75 2gdd h PRO 92 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2gdd h PRO 92 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2gdd h PRO 92 CO 0.90 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.71 2gdd n GLN 93 N -3.54 0.12 -2.93 0.86 1.13 -1.26 -4.89 117.38 106.87 2gdd n GLN 93 Ca 0.00 0.01 -0.38 0.00 -1.94 0.00 0.00 57.00 54.69 2gdd n GLN 93 Cb 0.30 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 29.09 2gdd n GLN 93 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 2gdd s PHE 94 N -2.88 3.83 0.00 1.08 5.36 -0.65 -4.83 117.98 119.89 2gdd s PHE 94 Ca 0.18 1.66 0.00 0.00 -0.96 0.00 0.00 56.93 57.80 2gdd s PHE 94 Cb 0.19 -2.80 0.00 0.00 -0.34 0.00 0.00 43.02 40.07 2gdd s PHE 94 CO 0.50 0.42 0.00 0.98 -1.46 0.00 0.00 175.22 175.66 2gdd n TYR 95 N 1.23 -0.15 -4.01 10.12 9.36 -1.26 -4.92 117.16 127.53 2gdd n TYR 95 Ca -0.03 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.11 2gdd n TYR 95 Cb 0.49 0.22 -0.09 0.00 -0.63 0.00 0.00 39.34 39.33 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 -1.44 0.19 0.23 2.97 -4.23 -1.26 -4.55 115.64 107.55 2gdd s THR 96 Ca 0.00 -1.56 -0.02 0.00 -1.18 0.00 0.00 61.69 58.93 2gdd s THR 96 Cb 0.00 -1.38 0.03 0.00 1.34 0.00 0.00 72.50 72.49 2gdd s THR 96 CO 0.00 -0.86 1.63 0.00 -0.54 0.00 0.00 174.62 174.85 2gdd h ALA 97 N 3.14 0.90 -0.55 3.99 0.00 -1.96 -2.80 119.26 121.98 2gdd h ALA 97 Ca -0.34 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.13 2gdd h ALA 97 Cb 1.16 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2gdd h ALA 97 CO 0.61 0.62 0.15 1.96 0.00 0.00 0.00 179.25 182.59 2gdd h GLN 98 N 0.56 0.84 -0.28 0.00 7.50 -1.97 -2.82 115.11 118.94 2gdd h GLN 98 Ca 0.07 -0.17 -0.14 0.00 0.50 0.00 0.00 58.65 58.91 2gdd h GLN 98 Cb 0.78 -0.13 -0.00 0.00 0.05 0.00 0.00 27.48 28.18 2gdd h GLN 98 CO 0.06 0.75 -0.37 0.82 -1.50 0.00 0.00 178.83 178.60 2gdd h ILE 99 N 0.81 1.30 0.00 2.54 2.04 -1.93 -3.47 117.51 118.80 2gdd h ILE 99 Ca 0.18 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.49 2gdd h ILE 99 Cb 0.28 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 2gdd h ILE 99 CO -0.00 0.50 0.00 0.61 0.00 0.00 0.00 178.15 179.25 2gdd n GLY 100 N 0.25 0.84 3.65 5.37 0.00 -1.06 -5.01 105.19 109.23 2gdd n GLY 100 Ca -0.04 -2.13 -0.25 0.00 0.00 0.00 0.00 46.02 43.60 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 -1.35 -2.35 4.61 0.00 -1.26 -4.46 120.51 114.70 2gdd n ALA 101 Ca 0.00 0.34 -0.43 0.00 0.00 0.00 0.00 53.44 53.36 2gdd n ALA 101 Cb 0.00 -5.18 0.00 0.00 0.00 0.00 0.00 19.45 14.28 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 -2.99 4.74 -3.78 0.00 2.03 -1.26 -4.31 116.55 110.97 2gdd n ASP 102 Ca -0.00 -2.96 -0.12 0.00 0.52 0.00 0.00 54.79 52.23 2gdd n ASP 102 Cb 0.56 -1.61 -0.08 0.00 -0.72 0.00 0.00 41.12 39.26 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 2.34 0.08 0.20 5.18 2.07 -1.26 -3.83 121.20 125.98 2gdd s ILE 103 Ca 0.46 -0.64 -0.23 0.00 -1.41 0.00 0.00 60.65 58.83 2gdd s ILE 103 Cb 0.07 -0.77 0.05 0.00 0.13 0.00 0.00 42.46 41.94 2gdd s ILE 103 CO -0.00 -0.35 0.71 0.00 -1.91 0.00 0.00 174.94 173.38 2gdd s ALA 104 N -1.99 -1.45 0.02 1.50 0.00 -0.23 -2.52 121.76 117.09 2gdd s ALA 104 Ca -0.09 0.13 0.05 0.00 0.00 0.00 0.00 51.96 52.05 2gdd s ALA 104 Cb -0.03 0.81 -0.02 0.00 0.00 0.00 0.00 23.12 23.88 2gdd s ALA 104 CO -0.00 -0.91 -0.15 -0.51 0.00 0.00 0.00 175.76 174.19 2gdd s LEU 105 N -2.83 2.11 -0.15 0.00 1.43 0.14 -1.64 118.68 117.75 2gdd s LEU 105 Ca 0.07 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 2gdd s LEU 105 Cb -0.03 -0.68 0.01 0.00 0.03 0.00 0.00 46.19 45.52 2gdd s LEU 105 CO -0.02 0.10 -0.21 -0.76 0.23 0.00 0.00 176.35 175.69 2gdd s LEU 106 N -0.82 2.07 -0.25 1.79 1.02 -0.08 -0.12 118.68 122.28 2gdd s LEU 106 Ca 0.03 -0.60 -0.12 0.00 0.02 0.00 0.00 54.13 53.47 2gdd s LEU 106 Cb -0.07 -1.42 -0.05 0.00 0.02 0.00 0.00 46.19 44.68 2gdd s LEU 106 CO 0.01 0.06 0.22 -0.70 0.02 0.00 0.00 176.35 175.95 2gdd s GLU 107 N 0.94 4.04 0.51 1.70 2.12 -0.25 -1.19 118.70 126.57 2gdd s GLU 107 Ca -0.04 -0.19 -0.19 0.00 0.36 0.00 0.00 54.97 54.90 2gdd s GLU 107 Cb -0.15 -3.59 -0.08 0.00 0.26 0.00 0.00 34.13 30.58 2gdd s GLU 107 CO -0.04 -0.05 1.02 -0.51 -0.54 0.00 0.00 175.26 175.14 2gdd s LEU 108 N 1.39 3.76 0.46 2.70 1.43 -0.21 -0.75 118.68 127.46 2gdd s LEU 108 Ca 0.10 1.83 0.22 0.00 -1.03 0.00 0.00 54.13 55.25 2gdd s LEU 108 Cb -0.15 -4.55 1.13 0.00 0.03 0.00 0.00 46.19 42.66 2gdd s LEU 108 CO 0.07 -0.79 1.95 -0.33 0.23 0.00 0.00 176.35 177.49 2gdd h GLU 109 N 1.29 0.00 -4.21 1.70 5.08 -1.81 -3.42 114.58 113.20 2gdd h GLU 109 Ca -0.49 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 57.67 2gdd h GLU 109 Cb 1.21 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.25 2gdd h GLU 109 CO 0.59 0.21 -0.71 -1.21 -1.00 0.00 0.00 179.01 176.89 2gdd s GLU 110 N -4.09 0.40 0.80 2.33 0.41 -1.26 -5.01 118.70 112.28 2gdd s GLU 110 Ca -0.02 -0.68 -0.11 0.00 -0.41 0.00 0.00 54.97 53.74 2gdd s GLU 110 Cb 0.13 -0.04 0.08 0.00 -1.78 0.00 0.00 34.13 32.51 2gdd s GLU 110 CO 0.64 -0.01 1.12 -1.25 -0.49 0.00 0.00 175.26 175.27 2gdd s PRO 111 N -1.57 1.90 0.11 0.39 0.04 -1.26 -4.78 135.00 129.83 2gdd s PRO 111 Ca -0.13 1.38 0.03 0.00 0.04 0.00 0.00 61.00 62.31 2gdd s PRO 111 Cb -0.10 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2gdd s PRO 111 CO -0.01 -1.94 0.17 0.08 0.04 0.00 0.00 177.00 175.34 2gdd s VAL 112 N -2.67 4.89 -0.28 -0.36 1.01 0.38 -4.97 120.40 118.40 2gdd s VAL 112 Ca 0.65 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 61.73 2gdd s VAL 112 Cb -0.20 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 2gdd s VAL 112 CO 0.54 0.02 0.41 -0.54 0.00 0.00 0.00 175.10 175.53 2gdd s LYS 113 N -2.77 3.96 0.51 2.72 3.01 -1.26 -4.80 119.74 121.10 2gdd s LYS 113 Ca 0.32 0.04 -0.05 0.00 -1.01 0.00 0.00 55.97 55.27 2gdd s LYS 113 Cb -0.12 -3.68 -0.03 0.00 -1.01 0.00 0.00 37.83 33.00 2gdd s LYS 113 CO 0.25 -0.34 0.81 0.14 0.51 0.00 0.00 175.35 176.72 2gdd s VAL 114 N 2.13 4.60 0.31 3.17 -7.23 -1.26 -4.94 120.40 117.18 2gdd s VAL 114 Ca 0.16 0.13 -0.13 0.00 -1.81 0.00 0.00 61.98 60.33 2gdd s VAL 114 Cb -0.16 -3.76 0.05 0.00 0.56 0.00 0.00 36.38 33.07 2gdd s VAL 114 CO 0.10 -0.75 0.67 -1.54 -0.31 0.00 0.00 175.10 173.28 2gdd n SER 115 N -2.33 -1.84 0.26 4.85 3.41 0.20 -4.97 113.62 113.20 2gdd n SER 115 Ca 0.01 -2.24 0.17 0.00 -0.26 0.00 0.00 58.87 56.55 2gdd n SER 115 Cb 0.56 3.06 0.68 0.00 -0.26 0.00 0.00 64.21 68.25 2gdd n SER 115 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2gdd h SER 116 N 1.63 0.00 0.55 4.04 4.64 -2.01 -2.68 113.55 119.71 2gdd h SER 116 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2gdd h SER 116 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2gdd h SER 116 CO 0.34 0.00 -1.43 1.57 -0.87 0.00 0.00 176.83 176.44 2gdd n HIS 117 N -2.98 0.54 -3.46 4.77 -0.00 -1.26 -4.81 115.22 108.01 2gdd n HIS 117 Ca 0.01 0.16 -0.17 0.00 -0.00 0.00 0.00 57.72 57.71 2gdd n HIS 117 Cb 0.29 -0.75 -0.12 0.00 -0.00 0.00 0.00 29.99 29.41 2gdd n HIS 117 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2gdd s VAL 118 N -3.43 -0.37 0.36 3.57 1.01 -1.01 -4.54 120.40 115.99 2gdd s VAL 118 Ca -0.04 -0.18 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 2gdd s VAL 118 Cb 0.12 -0.75 0.03 0.00 0.00 0.00 0.00 36.38 35.77 2gdd s VAL 118 CO 0.84 -0.25 0.63 -1.38 0.00 0.00 0.00 175.10 174.95 2gdd s HIS 119 N 2.36 0.60 0.59 5.22 -3.43 -1.14 0.61 115.29 120.09 2gdd s HIS 119 Ca 0.08 -1.05 -0.13 0.00 -0.80 0.00 0.00 55.06 53.17 2gdd s HIS 119 Cb -0.15 0.37 -0.05 0.00 -1.43 0.00 0.00 32.58 31.32 2gdd s HIS 119 CO -0.16 -1.35 1.02 0.95 -2.00 0.00 0.00 174.74 173.20 2gdd s THR 120 N -2.70 4.60 0.17 -5.38 -4.23 -1.26 -3.15 115.64 103.69 2gdd s THR 120 Ca 0.23 0.96 -0.01 0.00 -1.18 0.00 0.00 61.69 61.69 2gdd s THR 120 Cb -0.03 -3.79 -0.04 0.00 1.34 0.00 0.00 72.50 69.98 2gdd s THR 120 CO 0.16 -0.99 0.36 0.54 -0.54 0.00 0.00 174.62 174.15 2gdd s VAL 121 N -3.00 5.22 -0.05 2.29 0.11 0.04 -4.85 120.40 120.15 2gdd s VAL 121 Ca 0.56 -0.29 -0.20 0.00 -2.93 0.00 0.00 61.98 59.13 2gdd s VAL 121 Cb -0.11 -3.70 -0.05 0.00 -1.53 0.00 0.00 36.38 31.00 2gdd s VAL 121 CO 0.47 -0.09 0.56 -0.89 -3.33 0.00 0.00 175.10 171.83 2gdd s THR 122 N -1.77 5.03 0.34 5.04 2.01 -1.24 -4.70 115.64 120.34 2gdd s THR 122 Ca 0.39 1.16 -0.16 0.00 0.31 0.00 0.00 61.69 63.39 2gdd s THR 122 Cb -0.11 -3.90 -0.09 0.00 0.01 0.00 0.00 72.50 68.40 2gdd s THR 122 CO 0.28 0.37 0.77 -0.76 -0.69 0.00 0.00 174.62 174.59 2gdd s LEU 123 N 0.17 4.05 0.61 4.42 1.43 -1.26 -1.11 118.68 127.00 2gdd s LEU 123 Ca 0.30 1.35 -0.13 0.00 -1.03 0.00 0.00 54.13 54.62 2gdd s LEU 123 Cb -0.17 -4.14 -0.04 0.00 0.03 0.00 0.00 46.19 41.87 2gdd s LEU 123 CO 0.15 -0.22 1.03 -2.16 0.23 0.00 0.00 176.35 175.38 2gdd s PRO 124 N -2.99 3.46 0.55 1.29 0.04 -1.26 -4.85 135.00 131.24 2gdd s PRO 124 Ca 0.55 0.92 -0.18 0.00 0.04 0.00 0.00 61.00 62.33 2gdd s PRO 124 Cb -0.10 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.32 2gdd s PRO 124 CO 0.17 -0.68 1.07 -1.25 0.04 0.00 0.00 177.00 176.35 2gdd s PRO 125 N -4.72 3.46 0.65 0.56 0.04 -1.26 -4.88 135.00 128.85 2gdd s PRO 125 Ca 0.58 1.36 0.27 0.00 0.04 0.00 0.00 61.00 63.25 2gdd s PRO 125 Cb -0.12 -2.04 1.47 0.00 0.04 0.00 0.00 34.50 33.85 2gdd s PRO 125 CO 0.46 -0.72 1.84 0.00 0.04 0.00 0.00 177.00 178.62 2gdd h ALA 126 N 0.96 1.55 0.00 8.56 0.00 -1.96 -1.15 119.26 127.22 2gdd h ALA 126 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2gdd h ALA 126 Cb 1.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2gdd h ALA 126 CO 0.58 -0.47 -0.75 -1.13 0.00 0.00 0.00 179.25 177.48 2gdd n SER 127 N -3.01 0.63 -4.69 0.00 3.41 -1.26 -4.94 113.62 103.76 2gdd n SER 127 Ca 0.00 -0.11 -0.44 0.00 -0.26 0.00 0.00 58.87 58.06 2gdd n SER 127 Cb 0.49 0.43 -0.04 0.00 -0.26 0.00 0.00 64.21 64.83 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 -1.90 2.42 -0.09 4.33 4.07 -0.44 -4.92 120.64 124.11 2gdd n GLU 128 Ca 0.03 0.87 -0.10 0.00 -0.06 0.00 0.00 57.16 57.91 2gdd n GLU 128 Cb 0.41 -2.67 -0.12 0.00 -0.06 0.00 0.00 31.44 29.00 2gdd n GLU 128 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 2gdd n THR 129 N 3.58 1.16 -3.06 6.31 5.66 -1.26 -4.94 114.28 121.73 2gdd n THR 129 Ca 0.16 -0.64 -0.01 0.00 -3.05 0.00 0.00 64.05 60.51 2gdd n THR 129 Cb 0.31 -0.74 0.00 0.00 -1.55 0.00 0.00 70.33 68.36 2gdd n THR 129 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 2gdd n PHE 130 N -2.74 -2.95 -1.60 1.09 3.72 -1.26 -4.98 117.46 108.74 2gdd n PHE 130 Ca -0.30 1.12 -0.31 0.00 -0.05 0.00 0.00 57.45 57.92 2gdd n PHE 130 Cb 1.00 -4.11 0.06 0.00 -0.94 0.00 0.00 39.48 35.50 2gdd n PHE 130 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2gdd s PRO 131 N -3.06 2.75 0.34 -1.08 0.04 -1.26 -4.93 135.00 127.80 2gdd s PRO 131 Ca 0.02 0.84 -0.28 0.00 0.04 0.00 0.00 61.00 61.62 2gdd s PRO 131 Cb -0.00 -1.98 -0.12 0.00 0.04 0.00 0.00 34.50 32.44 2gdd s PRO 131 CO 0.75 -1.20 1.35 -2.30 0.04 0.00 0.00 177.00 175.64 2gdd n PRO 132 N -3.18 2.26 0.00 0.56 -0.02 -1.26 -2.05 135.00 131.30 2gdd n PRO 132 Ca 0.07 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 2gdd n PRO 132 Cb 0.54 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 2gdd n PRO 132 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gdd n GLY 133 N 0.84 0.40 3.76 -1.23 0.00 -1.26 -5.04 105.19 102.66 2gdd n GLY 133 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2gdd n GLY 133 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2gdd s MET 134 N -0.95 4.58 -0.53 1.61 0.00 -0.87 -5.00 119.30 118.14 2gdd s MET 134 Ca 0.00 1.18 -0.27 0.00 0.00 0.00 0.00 55.69 56.60 2gdd s MET 134 Cb 0.00 -3.32 -0.01 0.00 0.00 0.00 0.00 34.83 31.51 2gdd s MET 134 CO 0.00 0.41 1.66 -2.14 0.00 0.00 0.00 175.02 174.95 2gdd s PRO 135 N -0.59 3.07 0.05 4.11 0.02 -1.26 -4.57 135.00 135.83 2gdd s PRO 135 Ca 0.39 0.73 0.06 0.00 0.02 0.00 0.00 61.00 62.20 2gdd s PRO 135 Cb -0.22 -4.23 -0.03 0.00 0.02 0.00 0.00 34.50 30.04 2gdd s PRO 135 CO 0.26 -2.20 -0.17 0.00 -0.33 0.00 0.00 177.00 174.56 2gdd s TRP 137 N -0.93 1.56 0.04 0.00 0.52 0.11 -1.08 118.94 119.17 2gdd s TRP 137 Ca 0.04 -0.48 0.06 0.00 0.02 0.00 0.00 56.10 55.73 2gdd s TRP 137 Cb -0.09 -0.83 -0.02 0.00 -1.15 0.00 0.00 33.47 31.38 2gdd s TRP 137 CO 0.02 0.19 -0.17 0.54 0.02 0.00 0.00 176.95 177.54 2gdd s VAL 138 N -1.70 1.36 0.07 4.03 0.11 -0.73 -0.86 120.40 122.68 2gdd s VAL 138 Ca 0.08 -1.07 0.01 0.00 -2.93 0.00 0.00 61.98 58.07 2gdd s VAL 138 Cb -0.07 -1.20 -0.04 0.00 -1.53 0.00 0.00 36.38 33.54 2gdd s VAL 138 CO 0.04 0.11 -0.05 0.42 -3.33 0.00 0.00 175.10 172.29 2gdd s THR 139 N -0.80 0.46 -3.92 5.04 -4.23 -1.21 -1.96 115.64 109.01 2gdd s THR 139 Ca 0.04 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 58.85 2gdd s THR 139 Cb -0.08 -1.38 0.00 0.00 1.34 0.00 0.00 72.50 72.38 2gdd s THR 139 CO 0.01 -0.83 0.00 0.61 -0.54 0.00 0.00 174.62 173.88 2gdd n GLY 140 N 0.33 -2.16 1.10 3.99 0.00 -0.93 -4.49 105.19 103.04 2gdd n GLY 140 Ca -0.15 -1.22 -0.04 0.00 0.00 0.00 0.00 46.02 44.61 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 1.79 0.97 -1.80 1.61 8.01 -1.26 -1.71 117.44 125.05 2gdd n TRP 141 Ca 0.00 -1.73 -0.19 0.00 -1.31 0.00 0.00 57.50 54.28 2gdd n TRP 141 Cb 0.00 -0.38 0.12 0.00 -2.01 0.00 0.00 31.31 29.04 2gdd n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2gdd n GLY 142 N -1.04 -0.93 3.71 6.99 0.00 -1.26 -4.70 105.19 107.97 2gdd n GLY 142 Ca 0.30 -1.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.17 2gdd n GLY 142 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gdd n ASP 143 N -3.43 2.25 -0.38 1.61 8.00 0.13 -3.00 116.55 121.73 2gdd n ASP 143 Ca 0.11 0.94 0.13 0.00 0.71 0.00 0.00 54.79 56.68 2gdd n ASP 143 Cb 0.39 -1.53 0.58 0.00 -0.02 0.00 0.00 41.12 40.53 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 -1.21 0.04 0.00 2.53 0.24 0.21 -0.61 118.33 119.52 2gdd n VAL 144 Ca 0.12 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 2gdd n VAL 144 Cb 0.45 0.25 0.00 0.00 -1.47 0.00 0.00 33.84 33.07 2gdd n VAL 144 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2gdd n ASP 145 N -0.07 0.00 -4.65 -1.34 -0.08 -1.21 -4.44 116.55 104.76 2gdd n ASP 145 Ca 0.19 0.00 -0.47 0.00 -1.51 0.00 0.00 54.79 53.00 2gdd n ASP 145 Cb 0.29 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.70 2gdd n ASP 145 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2gdd n ASN 146 N 0.00 3.41 -1.19 1.67 3.02 -1.26 -1.18 115.26 119.72 2gdd n ASN 146 Ca 0.00 0.85 -0.15 0.00 -0.03 0.00 0.00 54.58 55.25 2gdd n ASN 146 Cb 0.00 -1.40 -0.06 0.00 -0.61 0.00 0.00 39.78 37.72 2gdd n ASN 146 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2gdd n ASP 147 N 7.48 -4.76 -3.91 6.41 -0.08 -1.26 -4.97 116.55 115.46 2gdd n ASP 147 Ca 0.25 0.33 -0.30 0.00 -1.51 0.00 0.00 54.79 53.55 2gdd n ASP 147 Cb 0.32 -3.60 -0.15 0.00 2.34 0.00 0.00 41.12 40.02 2gdd n ASP 147 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 2gdd s GLU 149 N -3.40 1.37 0.65 -0.67 2.12 -0.33 -5.10 118.70 113.35 2gdd s GLU 149 Ca 0.00 -1.84 -0.16 0.00 0.36 0.00 0.00 54.97 53.33 2gdd s GLU 149 Cb 0.00 -2.86 -0.01 0.00 0.26 0.00 0.00 34.13 31.52 2gdd s GLU 149 CO 0.00 -1.00 1.13 1.03 -0.54 0.00 0.00 175.26 175.87 2gdd s ARG 150 N 0.80 2.82 0.00 4.30 1.81 -1.26 -0.62 118.95 126.79 2gdd s ARG 150 Ca 0.12 1.49 0.00 0.00 -1.72 0.00 0.00 55.73 55.62 2gdd s ARG 150 Cb -0.20 -1.94 0.00 0.00 -0.45 0.00 0.00 34.95 32.35 2gdd s ARG 150 CO -0.10 -1.25 0.00 -0.11 -0.68 0.00 0.00 175.30 173.16 2gdd n LEU 151 N -2.24 0.00 -1.01 2.53 7.94 -1.26 -4.56 117.00 118.41 2gdd n LEU 151 Ca 0.11 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.01 2gdd n LEU 151 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 2gdd n LEU 151 CO 0.47 -0.75 0.00 -0.81 -1.11 0.00 0.00 177.39 175.19 2gdd n PRO 152 N -0.78 0.00 -3.28 1.96 -0.04 -1.26 -5.02 135.00 126.57 2gdd n PRO 152 Ca 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.38 2gdd n PRO 152 Cb 0.00 -0.45 0.00 0.00 -0.04 0.00 0.00 33.50 33.01 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 -2.69 -2.80 0.54 3.72 -1.26 -3.79 117.46 111.46 2gdd n PHE 153 Ca 0.00 1.03 -0.34 0.00 -0.05 0.00 0.00 57.45 58.09 2gdd n PHE 153 Cb 0.00 -3.73 -0.07 0.00 -0.94 0.00 0.00 39.48 34.74 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 -3.64 4.32 0.06 -1.08 0.04 -1.26 -1.26 135.00 132.18 2gdd s PRO 154 Ca 0.02 1.19 -0.31 0.00 0.04 0.00 0.00 61.00 61.95 2gdd s PRO 154 Cb -0.01 -2.36 -0.07 0.00 0.04 0.00 0.00 34.50 32.10 2gdd s PRO 154 CO 0.79 0.05 1.40 -1.17 0.04 0.00 0.00 177.00 178.11 2gdd s LEU 155 N -2.86 4.35 0.28 -3.56 2.96 -0.77 -4.80 118.68 114.28 2gdd s LEU 155 Ca 0.59 2.24 0.08 0.00 -0.22 0.00 0.00 54.13 56.82 2gdd s LEU 155 Cb -0.12 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 2gdd s LEU 155 CO 0.16 -0.69 0.16 -0.54 -1.32 0.00 0.00 176.35 174.13 2gdd s LYS 156 N 1.71 2.69 -0.00 1.98 1.02 -0.69 -0.43 119.74 126.02 2gdd s LYS 156 Ca 0.65 -1.23 -0.03 0.00 0.02 0.00 0.00 55.97 55.38 2gdd s LYS 156 Cb -0.35 -2.42 -0.00 0.00 -0.52 0.00 0.00 37.83 34.54 2gdd s LYS 156 CO 0.29 0.32 0.05 1.14 -0.92 0.00 0.00 175.35 176.23 2gdd s GLN 157 N -3.83 0.25 -0.13 1.68 -2.07 -0.86 -2.18 119.66 112.52 2gdd s GLN 157 Ca 0.34 -0.25 -0.11 0.00 -1.82 0.00 0.00 55.36 53.52 2gdd s GLN 157 Cb -0.07 0.10 0.03 0.00 -1.09 0.00 0.00 33.01 31.99 2gdd s GLN 157 CO 0.24 -0.05 0.33 0.54 -1.32 0.00 0.00 175.29 175.03 2gdd s VAL 158 N -0.78 -0.00 -0.14 3.63 0.11 -0.83 -2.09 120.40 120.30 2gdd s VAL 158 Ca -0.09 0.02 -0.26 0.00 -2.93 0.00 0.00 61.98 58.72 2gdd s VAL 158 Cb -0.05 -0.47 -0.02 0.00 -1.53 0.00 0.00 36.38 34.32 2gdd s VAL 158 CO 0.00 0.01 0.87 -0.75 -3.33 0.00 0.00 175.10 171.90 2gdd s LYS 159 N 0.34 4.35 -0.02 1.54 2.20 -1.26 -1.78 119.74 125.11 2gdd s LYS 159 Ca -0.01 1.11 0.05 0.00 -0.36 0.00 0.00 55.97 56.76 2gdd s LYS 159 Cb -0.03 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.71 2gdd s LYS 159 CO -0.01 -0.28 -0.17 0.14 -0.36 0.00 0.00 175.35 174.67 2gdd s VAL 160 N 1.95 2.80 -0.12 4.02 -7.23 -0.24 -4.92 120.40 116.66 2gdd s VAL 160 Ca 0.41 -0.91 -0.29 0.00 -1.81 0.00 0.00 61.98 59.38 2gdd s VAL 160 Cb -0.17 -2.10 -0.01 0.00 0.56 0.00 0.00 36.38 34.66 2gdd s VAL 160 CO 0.15 0.53 1.02 -2.16 -0.31 0.00 0.00 175.10 174.32 2gdd s PRO 161 N -0.88 4.40 0.10 4.82 0.04 -1.26 -4.19 135.00 138.04 2gdd s PRO 161 Ca 0.12 1.40 -0.23 0.00 0.04 0.00 0.00 61.00 62.33 2gdd s PRO 161 Cb -0.10 -3.55 -0.07 0.00 0.04 0.00 0.00 34.50 30.81 2gdd s PRO 161 CO 0.01 -0.35 0.68 0.42 0.04 0.00 0.00 177.00 177.80 2gdd s ILE 162 N 2.15 4.60 0.19 0.56 1.01 -1.26 -1.18 121.20 127.26 2gdd s ILE 162 Ca 0.48 1.48 0.07 0.00 0.00 0.00 0.00 60.65 62.68 2gdd s ILE 162 Cb -0.18 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.21 2gdd s ILE 162 CO 0.17 0.50 -0.13 -0.04 0.00 0.00 0.00 174.94 175.44 2gdd s MET 163 N -0.90 1.26 0.49 2.79 -1.94 -1.05 -4.07 119.30 115.87 2gdd s MET 163 Ca 0.33 -1.55 -0.22 0.00 -1.71 0.00 0.00 55.69 52.54 2gdd s MET 163 Cb -0.21 -0.98 -0.07 0.00 2.01 0.00 0.00 34.83 35.59 2gdd s MET 163 CO 0.22 0.15 1.19 -1.21 -0.01 0.00 0.00 175.02 175.36 2gdd s GLU 164 N -3.68 3.60 0.18 2.03 2.02 -1.26 -4.45 118.70 117.14 2gdd s GLU 164 Ca 0.21 1.82 -0.14 0.00 0.02 0.00 0.00 54.97 56.89 2gdd s GLU 164 Cb 0.00 -2.32 0.18 0.00 0.10 0.00 0.00 34.13 32.09 2gdd s GLU 164 CO 0.05 -0.70 1.70 -0.91 0.02 0.00 0.00 175.26 175.42 2gdd h ASN 165 N 1.83 -0.13 0.15 -0.19 -0.26 -1.93 -1.31 115.58 113.73 2gdd h ASN 165 Ca -0.50 0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 55.34 2gdd h ASN 165 Cb 1.26 0.17 -0.00 0.00 -1.06 0.00 0.00 38.32 38.69 2gdd h ASN 165 CO 0.59 -0.04 -0.05 1.12 -1.06 0.00 0.00 177.43 178.00 2gdd h HIS 166 N 0.15 0.00 -0.04 1.19 2.07 -1.91 0.81 115.15 117.41 2gdd h HIS 166 Ca 0.24 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.67 2gdd h HIS 166 Cb 0.35 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.33 2gdd h HIS 166 CO -0.28 0.05 -0.34 0.82 -3.07 0.00 0.00 177.93 175.11 2gdd h ILE 167 N 0.00 1.45 -0.54 6.12 1.08 -1.62 -2.59 117.51 121.41 2gdd h ILE 167 Ca -0.00 -1.82 -0.09 0.00 -0.39 0.00 0.00 64.86 62.56 2gdd h ILE 167 Cb 0.13 2.46 -0.02 0.00 -3.07 0.00 0.00 36.82 36.32 2gdd h ILE 167 CO 0.01 0.52 -0.01 0.00 -0.69 0.00 0.00 178.15 177.97 2gdd h ASP 169 N 0.83 0.93 -0.49 0.00 3.58 -0.90 -0.24 116.42 120.14 2gdd h ASP 169 Ca 0.15 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.52 2gdd h ASP 169 Cb 0.55 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.39 2gdd h ASP 169 CO 0.03 0.59 -0.05 0.00 -2.88 0.00 0.00 179.24 176.93 2gdd h ALA 170 N 1.50 0.67 -0.76 -0.78 0.00 -1.14 -2.87 119.26 115.87 2gdd h ALA 170 Ca 0.40 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2gdd h ALA 170 Cb 0.20 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2gdd h ALA 170 CO -0.15 0.52 0.33 0.87 0.00 0.00 0.00 179.25 180.82 2gdd h LYS 171 N 0.75 1.12 0.00 0.00 1.57 -0.60 -2.04 116.57 117.37 2gdd h LYS 171 Ca 0.13 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2gdd h LYS 171 Cb 0.58 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 2gdd h LYS 171 CO 0.03 0.90 -0.10 1.88 -0.57 0.00 0.00 179.45 181.59 2gdd h TYR 172 N 1.09 0.00 0.00 -1.35 -1.99 -0.91 -1.15 116.97 112.66 2gdd h TYR 172 Ca 0.26 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.99 2gdd h TYR 172 Cb 0.17 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.90 2gdd h TYR 172 CO 0.01 0.10 0.00 0.45 -0.00 0.00 0.00 178.16 178.72 2gdd h HIS 173 N 0.00 0.00 -2.90 4.88 3.86 -1.16 -3.42 115.15 116.41 2gdd h HIS 173 Ca -0.00 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 2gdd h HIS 173 Cb 0.23 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 2gdd h HIS 173 CO 0.00 0.00 0.86 -0.51 0.86 0.00 0.00 177.93 179.14 2gdd s LEU 173 N -5.42 4.28 0.00 2.43 1.43 -0.44 -2.16 118.68 118.80 2gdd s LEU 173 Ca 0.09 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 2gdd s LEU 173 Cb 0.08 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.75 2gdd s LEU 173 CO 0.63 -0.73 0.00 0.61 0.23 0.00 0.00 176.35 177.09 2gdd n GLY 173 N 3.66 0.41 3.19 -3.19 0.00 -1.26 -5.03 105.19 102.97 2gdd n GLY 173 Ca 0.13 -1.01 -0.16 0.00 0.00 0.00 0.00 46.02 44.98 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 1.22 -0.14 4.61 0.00 -0.92 -5.03 121.76 119.50 2gdd s ALA 173 Ca 0.00 -1.17 0.15 0.00 0.00 0.00 0.00 51.96 50.94 2gdd s ALA 173 Cb 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.12 2gdd s ALA 173 CO 0.00 0.04 1.36 1.88 0.00 0.00 0.00 175.76 179.04 2gdd h TYR 173 N 3.71 0.00 -1.92 0.00 0.05 -1.95 -3.46 116.97 113.40 2gdd h TYR 173 Ca -0.39 0.00 -0.65 0.00 0.05 0.00 0.00 58.73 57.74 2gdd h TYR 173 Cb 1.19 0.00 0.06 0.00 1.01 0.00 0.00 36.73 39.00 2gdd h TYR 173 CO 0.64 0.53 0.45 2.41 -1.05 0.00 0.00 178.16 181.13 2gdd n THR 173 N -3.18 0.37 0.00 -2.88 -1.04 -1.26 -5.16 114.28 101.12 2gdd n THR 173 Ca 0.00 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 2gdd n THR 173 Cb 0.75 -0.97 0.00 0.00 -1.82 0.00 0.00 70.33 68.30 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 2.44 -3.11 0.00 3.41 0.00 -1.26 -4.94 105.19 101.73 2gdd n GLY 173 Ca 0.17 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 -4.52 1.61 9.92 -1.26 -4.72 116.55 117.57 2gdd n ASP 173 Ca 0.00 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.83 2gdd n ASP 173 Cb 0.00 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.42 2gdd n ASP 173 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2gdd s VAL 173 N 0.00 4.78 0.11 2.53 1.01 -1.26 -5.02 120.40 122.56 2gdd s VAL 173 Ca 0.00 0.19 -0.32 0.00 0.00 0.00 0.00 61.98 61.85 2gdd s VAL 173 Cb 0.00 -4.23 -0.11 0.00 0.00 0.00 0.00 36.38 32.03 2gdd s VAL 173 CO 0.00 -0.63 1.82 0.54 0.00 0.00 0.00 175.10 176.83 2gdd n ARG 174 N 6.37 2.69 -0.07 2.72 5.12 -1.26 -4.92 116.66 127.31 2gdd n ARG 174 Ca -0.01 0.98 -0.09 0.00 -1.93 0.00 0.00 57.85 56.80 2gdd n ARG 174 Cb 0.48 -2.86 -0.03 0.00 -1.16 0.00 0.00 32.46 28.89 2gdd n ARG 174 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2gdd n ILE 175 N 4.61 1.44 -2.67 0.55 5.41 -1.26 -4.83 119.36 122.61 2gdd n ILE 175 Ca 0.18 0.14 -0.43 0.00 1.00 0.00 0.00 62.75 63.65 2gdd n ILE 175 Cb 0.36 -2.19 -0.03 0.00 -0.71 0.00 0.00 39.64 37.07 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 -2.73 4.25 0.70 1.39 1.01 -1.26 -5.01 120.40 118.75 2gdd s VAL 176 Ca -0.25 0.95 -0.05 0.00 0.00 0.00 0.00 61.98 62.63 2gdd s VAL 176 Cb 0.04 -4.58 0.08 0.00 0.00 0.00 0.00 36.38 31.91 2gdd s VAL 176 CO 0.36 -1.05 0.99 -0.13 0.00 0.00 0.00 175.10 175.28 2gdd s ARG 177 N 4.34 2.06 0.45 2.72 0.52 -1.26 -4.84 118.95 122.94 2gdd s ARG 177 Ca 0.43 -0.48 0.18 0.00 -0.52 0.00 0.00 55.73 55.33 2gdd s ARG 177 Cb -0.08 -2.22 1.04 0.00 0.52 0.00 0.00 34.95 34.21 2gdd s ARG 177 CO 0.28 -1.27 1.96 -0.44 0.02 0.00 0.00 175.30 175.85 2gdd h ASP 178 N -0.55 0.00 -0.24 0.23 3.32 -1.98 -1.62 116.42 115.57 2gdd h ASP 178 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 2gdd h ASP 178 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 2gdd h ASP 178 CO 0.54 0.22 0.00 -0.90 -1.72 0.00 0.00 179.24 177.38 2gdd n ASP 179 N -4.04 2.04 -4.66 6.45 5.75 -1.26 -4.84 116.55 115.99 2gdd n ASP 179 Ca -0.02 -2.16 -0.25 0.00 -0.01 0.00 0.00 54.79 52.35 2gdd n ASP 179 Cb 0.30 -0.36 -0.09 0.00 -1.03 0.00 0.00 41.12 39.94 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 -1.64 2.10 -0.05 0.11 -1.94 -0.61 -0.59 119.30 116.68 2gdd s MET 180 Ca 0.19 -1.85 -0.09 0.00 -1.71 0.00 0.00 55.69 52.23 2gdd s MET 180 Cb 0.12 -1.89 0.02 0.00 2.01 0.00 0.00 34.83 35.08 2gdd s MET 180 CO 0.09 0.02 0.22 -1.17 -0.01 0.00 0.00 175.02 174.17 2gdd s LEU 181 N -3.78 1.19 0.05 -0.03 0.20 0.63 -4.60 118.68 112.36 2gdd s LEU 181 Ca 0.37 0.22 0.06 0.00 0.69 0.00 0.00 54.13 55.46 2gdd s LEU 181 Cb 0.03 0.84 -0.03 0.00 -0.43 0.00 0.00 46.19 46.60 2gdd s LEU 181 CO 0.20 -0.22 -0.16 0.00 -0.29 0.00 0.00 176.35 175.88 2gdd s ALA 183 N -0.95 -0.89 0.00 0.00 0.00 -0.76 -2.52 121.76 116.63 2gdd s ALA 183 Ca 0.03 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.51 2gdd s ALA 183 Cb -0.09 0.92 0.00 0.00 0.00 0.00 0.00 23.12 23.96 2gdd s ALA 183 CO 0.02 -0.97 0.00 0.41 0.00 0.00 0.00 175.76 175.22 2gdd n GLY 184 N -0.43 0.37 0.00 0.00 0.00 -0.33 -1.33 105.19 103.47 2gdd n GLY 184 Ca -0.04 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.65 0.00 0.00 1.61 0.23 0.47 -4.71 115.26 112.21 2gdd n ASN 185 Ca 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.17 2gdd n ASN 185 Cb 0.00 0.00 0.67 0.00 -2.08 0.00 0.00 39.78 38.37 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 0.10 0.00 5.53 -2.24 -1.26 -3.39 114.28 113.01 2gdd n THR 186 Ca 0.00 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2gdd n THR 186 Cb 0.00 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 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 -1.10 1.34 -4.31 -0.78 1.74 -1.26 -4.84 116.66 107.45 2gdd n ARG 187 Ca 0.16 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.99 2gdd n ARG 187 Cb 0.12 -0.91 -0.17 0.00 -1.02 0.00 0.00 32.46 30.48 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 -1.66 1.57 -0.02 5.56 0.52 -1.22 -3.46 118.95 120.24 2gdd s ARG 188 Ca 0.00 -0.33 -0.30 0.00 -0.52 0.00 0.00 55.73 54.57 2gdd s ARG 188 Cb 0.00 -1.43 0.12 0.00 0.52 0.00 0.00 34.95 34.16 2gdd s ARG 188 CO 0.00 -0.08 1.23 0.34 0.02 0.00 0.00 175.30 176.80 2gdd s ASP 189 N 1.05 -0.09 0.32 0.23 2.15 -1.01 -0.40 116.67 118.92 2gdd s ASP 189 Ca -0.07 -0.14 0.05 0.00 0.43 0.00 0.00 52.55 52.81 2gdd s ASP 189 Cb -0.15 0.20 -0.02 0.00 -0.30 0.00 0.00 42.92 42.66 2gdd s ASP 189 CO -0.01 -0.37 0.47 -0.94 -0.17 0.00 0.00 175.17 174.15 2gdd s SER 190 N -2.83 6.08 0.35 -0.34 1.04 -1.26 0.35 113.70 117.08 2gdd s SER 190 Ca 0.13 0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.58 2gdd s SER 190 Cb 0.03 -1.53 -0.00 0.00 0.10 0.00 0.00 66.02 64.62 2gdd s SER 190 CO -0.03 -0.35 0.42 0.00 0.98 0.00 0.00 173.24 174.26 2gdd n GLN 192 N -0.60 1.16 0.00 0.00 3.00 -1.26 -0.50 117.38 119.17 2gdd n GLN 192 Ca 0.03 0.42 0.00 0.00 -0.01 0.00 0.00 57.00 57.44 2gdd n GLN 192 Cb 0.60 -2.09 0.00 0.00 0.00 0.00 0.00 30.24 28.75 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 3.38 2.64 0.01 1.08 0.00 -1.26 -0.70 105.19 110.34 2gdd n GLY 193 Ca 0.22 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.36 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 0.63 -4.58 1.61 8.00 0.35 -3.99 116.55 118.56 2gdd n ASP 194 Ca 0.00 -0.36 -0.48 0.00 0.71 0.00 0.00 54.79 54.67 2gdd n ASP 194 Cb 0.00 0.49 -0.03 0.00 -0.02 0.00 0.00 41.12 41.55 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 -1.63 1.37 0.00 -2.24 7.64 -1.26 -0.82 113.62 116.68 2gdd n SER 195 Ca 0.04 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.07 2gdd n SER 195 Cb 0.36 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 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 1.87 3.20 3.57 0.23 0.00 -0.53 -0.20 105.19 113.32 2gdd n GLY 196 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.00 1.54 0.22 -0.02 0.00 -0.00 -3.28 107.32 103.78 2gdd s GLY 197 Ca 0.00 -0.31 -0.07 0.00 0.00 0.00 0.00 44.72 44.34 2gdd s GLY 197 CO 0.00 0.39 0.50 2.56 0.00 0.00 0.00 173.10 176.54 2gdd s PRO 198 N -4.73 3.69 -0.21 2.90 0.04 -1.26 -1.59 135.00 133.84 2gdd s PRO 198 Ca 0.67 0.07 0.02 0.00 0.04 0.00 0.00 61.00 61.80 2gdd s PRO 198 Cb -0.21 -2.71 0.04 0.00 0.04 0.00 0.00 34.50 31.65 2gdd s PRO 198 CO 0.61 0.33 -0.15 -1.17 0.04 0.00 0.00 177.00 176.67 2gdd s LEU 199 N -3.01 2.58 0.08 -3.56 0.20 -0.53 -3.34 118.68 111.10 2gdd s LEU 199 Ca 0.44 -0.94 0.08 0.00 0.69 0.00 0.00 54.13 54.40 2gdd s LEU 199 Cb -0.11 -1.44 -0.03 0.00 -0.43 0.00 0.00 46.19 44.18 2gdd s LEU 199 CO 0.25 -0.10 -0.21 0.68 -0.29 0.00 0.00 176.35 176.69 2gdd s VAL 200 N 1.26 1.69 0.01 1.68 -7.23 -0.04 -0.51 120.40 117.25 2gdd s VAL 200 Ca -0.01 -1.40 0.04 0.00 -1.81 0.00 0.00 61.98 58.80 2gdd s VAL 200 Cb -0.16 -1.51 -0.01 0.00 0.56 0.00 0.00 36.38 35.26 2gdd s VAL 200 CO -0.09 0.05 -0.11 0.00 -0.31 0.00 0.00 175.10 174.64 2gdd s LYS 202 N -0.68 3.92 -0.29 0.00 2.20 -1.08 -1.40 119.74 122.41 2gdd s LYS 202 Ca 0.02 0.34 0.03 0.00 -0.36 0.00 0.00 55.97 55.99 2gdd s LYS 202 Cb -0.06 -3.72 0.08 0.00 -1.51 0.00 0.00 37.83 32.62 2gdd s LYS 202 CO 0.00 -0.57 -0.03 0.08 -0.36 0.00 0.00 175.35 174.48 2gdd s VAL 203 N 2.63 1.98 -1.04 4.02 1.01 0.58 -4.73 120.40 124.85 2gdd s VAL 203 Ca 0.26 -1.79 -0.01 0.00 0.00 0.00 0.00 61.98 60.44 2gdd s VAL 203 Cb -0.15 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 2gdd s VAL 203 CO 0.12 -0.30 0.87 0.59 0.00 0.00 0.00 175.10 176.38 2gdd n ASN 204 N 4.45 -2.58 0.00 3.32 3.02 -1.26 -2.85 115.26 119.35 2gdd n ASN 204 Ca -0.06 -0.56 0.00 0.00 -0.03 0.00 0.00 54.58 53.93 2gdd n ASN 204 Cb 0.42 -4.59 0.00 0.00 -0.61 0.00 0.00 39.78 35.00 2gdd n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gdd n GLY 205 N -1.13 0.54 3.23 7.41 0.00 -1.26 -4.99 105.19 108.98 2gdd n GLY 205 Ca -0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 2gdd n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gdd s THR 206 N -2.54 1.91 -0.13 2.61 2.01 -1.13 -5.11 115.64 113.25 2gdd s THR 206 Ca 0.00 -0.97 -0.23 0.00 0.31 0.00 0.00 61.69 60.79 2gdd s THR 206 Cb 0.00 -1.62 -0.03 0.00 0.01 0.00 0.00 72.50 70.86 2gdd s THR 206 CO 0.00 0.53 0.73 0.26 -0.69 0.00 0.00 174.62 175.45 2gdd s TRP 207 N -0.02 3.47 -0.05 4.92 0.52 -1.26 -0.31 118.94 126.21 2gdd s TRP 207 Ca -0.06 1.17 0.06 0.00 0.02 0.00 0.00 56.10 57.29 2gdd s TRP 207 Cb -0.14 -2.87 -0.01 0.00 -1.15 0.00 0.00 33.47 29.30 2gdd s TRP 207 CO 0.04 -0.09 -0.23 -0.51 0.02 0.00 0.00 176.95 176.18 2gdd s LEU 208 N 1.53 2.04 -0.55 2.99 1.43 -0.49 -3.62 118.68 122.01 2gdd s LEU 208 Ca 0.36 -0.48 -0.28 0.00 -1.03 0.00 0.00 54.13 52.69 2gdd s LEU 208 Cb -0.17 -1.29 0.03 0.00 0.03 0.00 0.00 46.19 44.79 2gdd s LEU 208 CO 0.14 0.23 1.20 -1.58 0.23 0.00 0.00 176.35 176.57 2gdd s GLN 209 N -0.13 3.56 0.08 1.70 0.74 -0.26 -1.69 119.66 123.64 2gdd s GLN 209 Ca -0.03 0.37 -0.06 0.00 0.05 0.00 0.00 55.36 55.70 2gdd s GLN 209 Cb -0.13 -3.99 -0.28 0.00 1.10 0.00 0.00 33.01 29.71 2gdd s GLN 209 CO 0.03 -1.62 1.14 0.00 -0.55 0.00 0.00 175.29 174.30 2gdd h ALA 210 N 9.61 0.09 -2.93 1.58 0.00 -1.15 -3.39 119.26 123.07 2gdd h ALA 210 Ca -0.25 -0.87 -0.19 0.00 0.00 0.00 0.00 54.91 53.61 2gdd h ALA 210 Cb 1.06 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 2gdd h ALA 210 CO 1.17 0.93 -0.07 0.20 0.00 0.00 0.00 179.25 181.48 2gdd s GLY 211 N -4.63 1.10 -0.10 0.00 0.00 -0.86 -2.23 107.32 100.59 2gdd s GLY 211 Ca -0.05 -1.25 0.02 0.00 0.00 0.00 0.00 44.72 43.44 2gdd s GLY 211 CO 0.89 -0.78 -0.16 0.14 0.00 0.00 0.00 173.10 173.18 2gdd s VAL 212 N -2.99 1.57 -0.12 1.40 1.01 -0.80 -1.45 120.40 119.01 2gdd s VAL 212 Ca 0.26 -0.70 -0.36 0.00 0.00 0.00 0.00 61.98 61.18 2gdd s VAL 212 Cb -0.02 -1.41 -0.14 0.00 0.00 0.00 0.00 36.38 34.81 2gdd s VAL 212 CO 0.17 0.45 1.77 0.52 0.00 0.00 0.00 175.10 178.01 2gdd n VAL 213 N 4.05 0.39 0.00 2.92 0.31 -0.62 -0.66 118.33 124.72 2gdd n VAL 213 Ca -0.20 -0.07 -0.00 0.00 -0.01 0.00 0.00 64.34 64.06 2gdd n VAL 213 Cb 0.52 -1.55 -0.00 0.00 -0.91 0.00 0.00 33.84 31.90 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 5.61 0.00 -1.64 4.52 2.88 -0.81 -1.46 113.62 122.72 2gdd n SER 214 Ca 0.23 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.74 2gdd n SER 214 Cb 0.23 -0.12 0.01 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 -2.50 -1.38 0.00 0.66 4.27 -0.83 -4.92 117.44 112.73 2gdd n TRP 215 Ca -0.00 -0.68 0.00 0.00 -3.89 0.00 0.00 57.50 52.93 2gdd n TRP 215 Cb 0.00 0.31 0.00 0.00 -1.36 0.00 0.00 31.31 30.26 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 -0.19 1.91 3.48 -1.67 0.00 -1.26 -0.25 105.19 107.21 2gdd n GLY 216 Ca -0.03 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 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 3.16 3.00 1.61 2.12 -1.26 -4.86 118.70 120.47 2gdd s GLU 217 Ca 0.00 -0.66 0.00 0.00 0.36 0.00 0.00 54.97 54.67 2gdd s GLU 217 Cb 0.00 -4.18 0.00 0.00 0.26 0.00 0.00 34.13 30.21 2gdd s GLU 217 CO 0.00 -1.76 0.00 0.41 -0.54 0.00 0.00 175.26 173.37 2gdd n GLY 219 N 5.28 0.10 2.90 -1.50 0.00 -1.26 -4.61 105.19 106.10 2gdd n GLY 219 Ca -0.02 -0.95 -0.16 0.00 0.00 0.00 0.00 46.02 44.89 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 3.43 -1.09 -2.72 0.00 0.00 -1.26 -4.71 120.51 114.16 2gdd n ALA 221 Ca -0.18 0.11 -0.34 0.00 0.00 0.00 0.00 53.44 53.03 2gdd n ALA 221 Cb 0.55 -3.14 -0.05 0.00 0.00 0.00 0.00 19.45 16.81 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 -6.12 3.62 -0.00 0.00 -1.52 -1.26 -4.41 119.66 109.96 2gdd s GLN 221 Ca 0.45 -0.05 -0.37 0.00 -1.95 0.00 0.00 55.36 53.44 2gdd s GLN 221 Cb -0.23 -3.02 -0.16 0.00 -0.22 0.00 0.00 33.01 29.37 2gdd s GLN 221 CO 0.55 0.60 1.47 -2.30 -0.25 0.00 0.00 175.29 175.36 2gdd n PRO 222 N 0.86 1.26 -2.15 2.91 -0.02 -1.26 -1.48 135.00 135.13 2gdd n PRO 222 Ca -0.09 0.46 -0.21 0.00 -2.02 0.00 0.00 63.50 61.64 2gdd n PRO 222 Cb 0.52 -2.13 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 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 3.41 -5.82 -3.19 2.55 5.03 -1.26 -4.92 115.26 111.07 2gdd n ASN 223 Ca 0.20 0.15 -0.22 0.00 0.87 0.00 0.00 54.58 55.59 2gdd n ASN 223 Cb 0.19 -4.93 -0.05 0.00 -1.02 0.00 0.00 39.78 33.96 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 -2.82 0.85 -1.38 3.52 5.12 -0.55 -3.66 116.66 117.73 2gdd n ARG 224 Ca -0.24 -3.31 -0.33 0.00 -1.93 0.00 0.00 57.85 52.04 2gdd n ARG 224 Cb 0.69 -1.43 0.09 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 -1.72 2.12 0.51 5.56 0.04 -1.26 -4.31 135.00 135.94 2gdd s PRO 225 Ca 0.37 1.61 -0.22 0.00 0.04 0.00 0.00 61.00 62.80 2gdd s PRO 225 Cb 0.24 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.88 2gdd s PRO 225 CO -0.10 -1.82 1.26 0.20 0.04 0.00 0.00 177.00 176.59 2gdd s GLY 226 N -2.34 2.83 -0.08 0.56 0.00 -0.44 -4.75 107.32 103.10 2gdd s GLY 226 Ca 0.71 1.14 0.02 0.00 0.00 0.00 0.00 44.72 46.58 2gdd s GLY 226 CO 0.47 1.62 -0.13 -0.42 0.00 0.00 0.00 173.10 174.64 2gdd s ILE 227 N -1.43 3.14 0.10 0.90 -1.09 0.66 -1.82 121.20 121.66 2gdd s ILE 227 Ca 0.68 -0.67 0.07 0.00 -2.23 0.00 0.00 60.65 58.50 2gdd s ILE 227 Cb -0.35 -2.27 -0.03 0.00 -1.58 0.00 0.00 42.46 38.23 2gdd s ILE 227 CO 0.41 0.57 -0.17 -0.31 -1.23 0.00 0.00 174.94 174.21 2gdd s TYR 228 N -0.39 1.56 0.12 3.97 1.51 0.21 -1.93 117.35 122.41 2gdd s TYR 228 Ca 0.04 -0.46 -0.30 0.00 -1.01 0.00 0.00 57.07 55.34 2gdd s TYR 228 Cb -0.12 -0.84 -0.07 0.00 -0.11 0.00 0.00 41.96 40.82 2gdd s TYR 228 CO 0.02 0.17 1.18 0.99 -1.11 0.00 0.00 175.55 176.80 2gdd s THR 229 N -1.46 3.88 -0.59 -0.71 2.01 0.16 -0.27 115.64 118.67 2gdd s THR 229 Ca 0.05 1.46 -0.27 0.00 0.31 0.00 0.00 61.69 63.24 2gdd s THR 229 Cb -0.09 -3.93 0.03 0.00 0.01 0.00 0.00 72.50 68.52 2gdd s THR 229 CO 0.04 0.17 1.15 -0.60 -0.69 0.00 0.00 174.62 174.69 2gdd s ARG 230 N 0.41 3.46 0.23 4.92 3.52 0.24 -1.91 118.95 129.83 2gdd s ARG 230 Ca 0.55 0.12 -0.06 0.00 -0.13 0.00 0.00 55.73 56.21 2gdd s ARG 230 Cb -0.30 -4.03 0.35 0.00 -1.56 0.00 0.00 34.95 29.40 2gdd s ARG 230 CO 0.32 -1.68 1.80 0.28 -0.81 0.00 0.00 175.30 175.22 2gdd h VAL 231 N 6.12 0.91 -0.68 7.11 2.07 -1.74 -1.87 116.25 128.18 2gdd h VAL 231 Ca -0.25 -0.25 0.18 0.00 0.82 0.00 0.00 66.70 67.19 2gdd h VAL 231 Cb 1.06 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 2gdd h VAL 231 CO 1.18 0.13 0.48 0.71 0.02 0.00 0.00 177.57 180.09 2gdd h THR 232 N 0.73 0.71 0.00 2.57 1.35 -1.87 -0.28 112.91 116.11 2gdd h THR 232 Ca 0.37 -0.04 -0.01 0.00 -0.55 0.00 0.00 66.41 66.18 2gdd h THR 232 Cb 0.32 0.58 -0.00 0.00 -1.73 0.00 0.00 68.15 67.32 2gdd h THR 232 CO -0.24 0.02 -0.03 0.22 -0.25 0.00 0.00 175.52 175.24 2gdd h TYR 233 N 0.12 0.00 -0.02 4.73 5.03 -1.70 -3.16 116.97 121.97 2gdd h TYR 233 Ca 0.33 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.64 2gdd h TYR 233 Cb 1.13 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.41 2gdd h TYR 233 CO -0.00 0.03 0.00 0.66 -1.32 0.00 0.00 178.16 177.53 2gdd n TYR 234 N -3.17 0.04 -0.17 -3.82 4.01 -0.14 -4.79 117.16 109.13 2gdd n TYR 234 Ca -0.00 -0.73 -0.03 0.00 -0.16 0.00 0.00 57.90 56.98 2gdd n TYR 234 Cb 0.27 -0.10 0.04 0.00 -0.31 0.00 0.00 39.34 39.23 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 0.12 -0.58 -0.34 7.72 3.38 -1.47 -0.86 115.31 123.28 2gdd h LEU 235 Ca 0.00 0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.20 2gdd h LEU 235 Cb 0.75 0.36 -0.06 0.00 0.09 0.00 0.00 40.66 41.80 2gdd h LEU 235 CO 0.01 -0.20 -0.02 0.44 0.09 0.00 0.00 178.44 178.75 2gdd h ASP 236 N -0.04 -0.19 -0.48 -0.43 3.45 -1.86 -0.53 116.42 116.34 2gdd h ASP 236 Ca 0.25 0.08 0.04 0.00 0.43 0.00 0.00 57.03 57.83 2gdd h ASP 236 Cb 0.42 0.16 -0.04 0.00 -0.56 0.00 0.00 39.33 39.30 2gdd h ASP 236 CO -0.55 -0.06 0.24 -0.25 -1.57 0.00 0.00 179.24 177.06 2gdd h TRP 237 N 0.07 0.45 -0.18 4.55 7.01 -1.63 -2.51 115.95 123.71 2gdd h TRP 237 Ca 0.16 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.20 2gdd h TRP 237 Cb 0.23 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.14 2gdd h TRP 237 CO -0.26 0.22 0.05 0.82 -2.79 0.00 0.00 178.44 176.49 2gdd h ILE 238 N 0.48 0.95 0.00 2.65 2.04 -0.54 -1.91 117.51 121.18 2gdd h ILE 238 Ca 0.21 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 66.02 2gdd h ILE 238 Cb 0.11 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2gdd h ILE 238 CO -0.15 0.02 0.00 1.41 0.00 0.00 0.00 178.15 179.44 2gdd n HIS 239 N -5.06 0.00 0.75 1.37 8.25 -0.27 -0.20 115.22 120.06 2gdd n HIS 239 Ca -0.03 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.56 2gdd n HIS 239 Cb 0.07 -0.36 0.49 0.00 1.12 0.00 0.00 29.99 31.32 2gdd n HIS 239 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2gdd n HIS 240 N -1.36 0.46 0.00 4.41 8.25 -0.72 -4.19 115.22 122.07 2gdd n HIS 240 Ca 0.03 0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 2gdd n HIS 240 Cb 0.08 -0.73 0.00 0.00 1.12 0.00 0.00 29.99 30.46 2gdd n HIS 240 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2gdd n TYR 241 N -1.88 0.00 -3.40 4.41 4.01 -0.05 -5.02 117.16 115.22 2gdd n TYR 241 Ca 0.06 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.39 2gdd n TYR 241 Cb 0.35 0.02 -0.09 0.00 -0.31 0.00 0.00 39.34 39.31 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 -1.69 5.17 0.85 -0.72 1.01 0.72 -5.06 120.40 120.68 2gdd s VAL 242 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.86 2gdd s VAL 242 Cb 0.00 -3.83 0.09 0.00 0.00 0.00 0.00 36.38 32.64 2gdd s VAL 242 CO 0.00 -0.11 1.03 -0.81 0.00 0.00 0.00 175.10 175.21 2gdd n PRO 243 N 5.38 -0.06 0.00 2.72 -0.04 -1.26 -4.30 135.00 137.44 2gdd n PRO 243 Ca -0.09 0.06 0.06 0.00 -0.04 0.00 0.00 63.50 63.48 2gdd n PRO 243 Cb 0.49 -2.29 0.34 0.00 -0.04 0.00 0.00 33.50 31.99 2gdd n PRO 243 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09