#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 5.33 -0.63 1.39 1.01 0.16 -4.19 120.40 123.46 2gdd s VAL 17 Ca 0.00 0.38 -0.04 0.00 0.00 0.00 0.00 61.98 62.32 2gdd s VAL 17 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.81 2gdd s VAL 17 CO 0.00 0.37 0.55 0.61 0.00 0.00 0.00 175.10 176.63 2gdd n GLY 18 N 3.74 0.25 0.00 4.51 0.00 -1.23 -2.07 105.19 110.39 2gdd n GLY 18 Ca -0.13 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.21 5.20 3.75 -0.02 0.00 -1.26 -4.80 105.19 106.84 2gdd n GLY 19 Ca 0.00 -1.61 -0.08 0.00 0.00 0.00 0.00 46.02 44.34 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 4.10 1.69 0.27 1.61 -2.07 -0.91 -4.97 119.66 119.37 2gdd s GLN 20 Ca 0.00 -1.09 -0.30 0.00 -1.82 0.00 0.00 55.36 52.15 2gdd s GLN 20 Cb 0.00 0.55 -0.10 0.00 -1.09 0.00 0.00 33.01 32.37 2gdd s GLN 20 CO 0.00 -0.75 1.40 -2.00 -1.32 0.00 0.00 175.29 172.63 2gdd s GLU 21 N -3.96 4.29 0.30 9.60 2.12 -1.26 -1.80 118.70 127.99 2gdd s GLU 21 Ca 0.15 2.27 -0.25 0.00 0.36 0.00 0.00 54.97 57.51 2gdd s GLU 21 Cb -0.04 -3.10 -0.10 0.00 0.26 0.00 0.00 34.13 31.15 2gdd s GLU 21 CO 0.08 -0.36 0.91 0.00 -0.54 0.00 0.00 175.26 175.35 2gdd s ALA 22 N -0.28 3.25 0.65 6.30 0.00 0.42 -4.82 121.76 127.28 2gdd s ALA 22 Ca 0.57 0.47 -0.15 0.00 0.00 0.00 0.00 51.96 52.85 2gdd s ALA 22 Cb -0.41 -3.13 -0.00 0.00 0.00 0.00 0.00 23.12 19.58 2gdd s ALA 22 CO 0.46 0.20 1.10 -1.25 0.00 0.00 0.00 175.76 176.27 2gdd s PRO 23 N -2.00 2.86 0.47 0.00 0.04 -1.26 -4.88 135.00 130.23 2gdd s PRO 23 Ca 0.49 1.33 0.18 0.00 0.04 0.00 0.00 61.00 63.04 2gdd s PRO 23 Cb -0.19 -1.96 1.18 0.00 0.04 0.00 0.00 34.50 33.57 2gdd s PRO 23 CO 0.24 -1.19 1.99 0.00 0.04 0.00 0.00 177.00 178.08 2gdd h ARG 24 N 0.02 0.22 0.00 4.56 3.08 -2.00 -2.11 114.38 118.15 2gdd h ARG 24 Ca -0.46 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2gdd h ARG 24 Cb 1.24 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2gdd h ARG 24 CO 0.55 0.15 0.00 -1.13 -1.07 0.00 0.00 179.97 178.46 2gdd n SER 25 N -4.44 0.00 -4.56 7.04 3.41 -1.26 -4.86 113.62 108.94 2gdd n SER 25 Ca 0.09 -1.15 -0.28 0.00 -0.26 0.00 0.00 58.87 57.27 2gdd n SER 25 Cb 0.45 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.30 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 -2.00 2.04 -1.16 4.33 1.02 -0.80 -4.76 119.74 118.41 2gdd s LYS 26 Ca 0.38 -1.22 -0.02 0.00 0.02 0.00 0.00 55.97 55.14 2gdd s LYS 26 Cb 0.17 -2.18 -0.02 0.00 -0.52 0.00 0.00 37.83 35.29 2gdd s LYS 26 CO 0.29 0.45 0.97 0.91 -0.92 0.00 0.00 175.35 177.05 2gdd n TRP 27 N 0.24 -2.25 0.33 3.18 5.03 -1.26 -4.87 117.44 117.83 2gdd n TRP 27 Ca -0.12 0.91 0.21 0.00 3.03 0.00 0.00 57.50 61.53 2gdd n TRP 27 Cb 0.55 -4.81 1.12 0.00 -1.03 0.00 0.00 31.31 27.14 2gdd n TRP 27 CO 0.00 0.00 0.00 -1.00 -0.03 0.00 0.00 177.69 176.66 2gdd h PRO 28 N -1.69 0.00 -0.00 -0.99 0.13 -1.86 -2.44 132.00 125.16 2gdd h PRO 28 Ca -0.60 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 2gdd h PRO 28 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2gdd h PRO 28 CO 0.49 0.00 -0.34 -2.67 -0.23 0.00 0.00 178.00 175.25 2gdd n TRP 29 N -3.29 0.00 -1.81 1.56 2.14 -1.16 -3.40 117.44 111.48 2gdd n TRP 29 Ca -0.03 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.13 2gdd n TRP 29 Cb 0.09 -0.31 -0.02 0.00 -0.81 0.00 0.00 31.31 30.26 2gdd n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2gdd s GLN 30 N -2.97 4.14 0.12 -2.67 2.00 -0.92 -1.23 119.66 118.13 2gdd s GLN 30 Ca 0.13 2.54 0.03 0.00 -2.00 0.00 0.00 55.36 56.06 2gdd s GLN 30 Cb 0.18 -3.04 -0.04 0.00 0.80 0.00 0.00 33.01 30.91 2gdd s GLN 30 CO 0.64 -0.61 -0.08 0.14 -0.50 0.00 0.00 175.29 174.89 2gdd s VAL 31 N 0.02 0.88 -0.06 1.34 -7.23 -0.81 -1.64 120.40 112.91 2gdd s VAL 31 Ca 0.63 -1.99 0.06 0.00 -1.81 0.00 0.00 61.98 58.87 2gdd s VAL 31 Cb -0.47 -1.76 -0.01 0.00 0.56 0.00 0.00 36.38 34.70 2gdd s VAL 31 CO 0.47 -0.82 -0.25 -0.55 -0.31 0.00 0.00 175.10 173.65 2gdd s SER 32 N -3.10 3.04 -0.07 4.85 0.15 -0.07 -1.94 113.70 116.56 2gdd s SER 32 Ca 0.14 -0.51 -0.11 0.00 0.70 0.00 0.00 55.95 56.17 2gdd s SER 32 Cb 0.04 -0.85 -0.05 0.00 -1.71 0.00 0.00 66.02 63.45 2gdd s SER 32 CO -0.02 0.24 0.28 -0.76 1.20 0.00 0.00 173.24 174.17 2gdd s LEU 33 N -0.14 4.40 -0.04 3.45 1.43 0.30 -0.69 118.68 127.39 2gdd s LEU 33 Ca -0.04 0.69 0.05 0.00 -1.03 0.00 0.00 54.13 53.80 2gdd s LEU 33 Cb -0.14 -2.34 -0.01 0.00 0.03 0.00 0.00 46.19 43.73 2gdd s LEU 33 CO 0.04 0.32 -0.21 -0.13 0.23 0.00 0.00 176.35 176.60 2gdd s ARG 34 N -0.80 2.10 -0.10 1.70 1.81 0.15 -2.23 118.95 121.58 2gdd s ARG 34 Ca 0.19 -0.76 -0.02 0.00 -1.72 0.00 0.00 55.73 53.42 2gdd s ARG 34 Cb -0.14 -1.83 -0.03 0.00 -0.45 0.00 0.00 34.95 32.50 2gdd s ARG 34 CO 0.08 0.34 -0.02 0.54 -0.68 0.00 0.00 175.30 175.56 2gdd s VAL 35 N -0.14 4.09 0.29 3.52 0.11 -0.29 -1.32 120.40 126.66 2gdd s VAL 35 Ca -0.02 -0.32 -0.29 0.00 -2.93 0.00 0.00 61.98 58.42 2gdd s VAL 35 Cb -0.12 -2.73 -0.10 0.00 -1.53 0.00 0.00 36.38 31.91 2gdd s VAL 35 CO 0.02 0.58 1.26 -2.28 -3.33 0.00 0.00 175.10 171.35 2gdd s HIS 36 N -0.59 3.22 0.00 1.54 2.46 -0.21 -2.29 115.29 119.43 2gdd s HIS 36 Ca 0.09 1.45 0.00 0.00 0.47 0.00 0.00 55.06 57.07 2gdd s HIS 36 Cb -0.12 -3.57 0.00 0.00 -0.13 0.00 0.00 32.58 28.76 2gdd s HIS 36 CO 0.02 -1.55 0.00 0.41 -2.47 0.00 0.00 174.74 171.16 2gdd n GLY 37 N 1.21 1.70 0.38 1.59 0.00 -1.26 -4.95 105.19 103.85 2gdd n GLY 37 Ca 0.01 -0.30 0.20 0.00 0.00 0.00 0.00 46.02 45.93 2gdd n GLY 37 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gdd h PRO 37 N 0.00 0.00 -3.21 1.61 0.13 -2.04 -3.42 132.00 125.07 2gdd h PRO 37 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2gdd h PRO 37 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 2gdd h PRO 37 CO 0.00 0.00 0.09 1.52 -0.23 0.00 0.00 178.00 179.38 2gdd s TYR 37 N -4.63 -0.17 -0.95 1.56 1.13 -1.26 -5.08 117.35 107.95 2gdd s TYR 37 Ca -0.04 -0.18 -0.24 0.00 -1.41 0.00 0.00 57.07 55.20 2gdd s TYR 37 Cb 0.16 0.47 0.03 0.00 -1.10 0.00 0.00 41.96 41.52 2gdd s TYR 37 CO 0.55 -0.98 1.52 -1.58 -2.51 0.00 0.00 175.55 172.55 2gdd s TRP 38 N -3.87 2.35 0.13 -3.49 0.52 -1.26 -4.69 118.94 108.63 2gdd s TRP 38 Ca 0.09 -0.44 -0.26 0.00 0.02 0.00 0.00 56.10 55.51 2gdd s TRP 38 Cb -0.02 -4.57 -0.07 0.00 -1.15 0.00 0.00 33.47 27.66 2gdd s TRP 38 CO -0.02 -1.94 0.81 1.41 0.02 0.00 0.00 176.95 177.23 2gdd s MET 39 N 5.48 4.59 0.22 4.98 1.75 -0.97 -4.75 119.30 130.60 2gdd s MET 39 Ca 0.49 1.20 -0.30 0.00 -1.25 0.00 0.00 55.69 55.83 2gdd s MET 39 Cb -0.03 -3.30 -0.09 0.00 2.84 0.00 0.00 34.83 34.25 2gdd s MET 39 CO -0.04 0.45 1.27 -1.58 -0.65 0.00 0.00 175.02 174.47 2gdd s HIS 40 N -0.73 3.29 0.00 4.11 2.46 -1.26 -1.14 115.29 122.03 2gdd s HIS 40 Ca 0.38 1.32 0.00 0.00 0.47 0.00 0.00 55.06 57.24 2gdd s HIS 40 Cb -0.23 -3.55 0.00 0.00 -0.13 0.00 0.00 32.58 28.67 2gdd s HIS 40 CO 0.26 -1.63 0.00 1.97 -2.47 0.00 0.00 174.74 172.87 2gdd n PHE 41 N 2.27 0.00 -3.56 3.88 -1.74 -0.95 -4.93 117.46 112.44 2gdd n PHE 41 Ca 0.04 0.00 -0.07 0.00 -0.56 0.00 0.00 57.45 56.86 2gdd n PHE 41 Cb 0.43 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.41 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 -2.58 1.75 0.08 0.00 0.00 0.12 -0.54 107.32 106.15 2gdd s GLY 43 Ca 0.07 -2.13 -0.12 0.00 0.00 0.00 0.00 44.72 42.53 2gdd s GLY 43 CO -0.07 -1.71 0.59 0.61 0.00 0.00 0.00 173.10 172.52 2gdd n GLY 44 N -2.24 0.83 3.14 0.20 0.00 -0.82 -3.62 105.19 102.68 2gdd n GLY 44 Ca 0.15 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.37 -0.17 -0.30 1.61 1.04 0.08 -1.92 113.70 111.66 2gdd s SER 45 Ca 0.13 0.24 -0.23 0.00 0.48 0.00 0.00 55.95 56.57 2gdd s SER 45 Cb -0.01 0.39 -0.00 0.00 0.10 0.00 0.00 66.02 66.49 2gdd s SER 45 CO 0.02 -0.22 0.77 -0.22 0.98 0.00 0.00 173.24 174.57 2gdd s LEU 46 N -0.50 4.09 0.00 2.42 2.96 -0.37 0.06 118.68 127.35 2gdd s LEU 46 Ca -0.06 0.66 0.11 0.00 -0.22 0.00 0.00 54.13 54.62 2gdd s LEU 46 Cb -0.04 -3.05 0.04 0.00 0.50 0.00 0.00 46.19 43.64 2gdd s LEU 46 CO 0.01 -0.59 0.76 2.30 -1.32 0.00 0.00 176.35 177.52 2gdd n ILE 47 N 5.49 0.00 -3.58 6.68 -5.35 -0.87 -0.83 119.36 120.90 2gdd n ILE 47 Ca 0.03 -0.43 -0.11 0.00 -0.27 0.00 0.00 62.75 61.97 2gdd n ILE 47 Cb 0.48 1.18 -0.05 0.00 -1.74 0.00 0.00 39.64 39.51 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 -1.25 -0.41 0.60 4.28 5.04 -1.17 -4.75 115.29 117.63 2gdd s HIS 48 Ca 0.11 0.74 0.29 0.00 -1.54 0.00 0.00 55.06 54.66 2gdd s HIS 48 Cb 0.09 0.44 1.29 0.00 0.04 0.00 0.00 32.58 34.43 2gdd s HIS 48 CO 0.22 -0.35 1.67 -1.35 -2.34 0.00 0.00 174.74 172.59 2gdd h PRO 49 N 2.80 0.00 -0.04 2.88 0.11 -1.95 -0.35 132.00 135.46 2gdd h PRO 49 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 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 0.29 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.12 2gdd n GLN 50 N -3.53 1.27 -4.44 1.05 6.02 -1.26 -0.59 117.38 115.90 2gdd n GLN 50 Ca 0.15 -1.16 -0.21 0.00 -0.01 0.00 0.00 57.00 55.77 2gdd n GLN 50 Cb 1.02 -1.05 -0.14 0.00 1.02 0.00 0.00 30.24 31.09 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 -0.62 1.22 -0.06 1.08 0.52 -0.14 -0.80 118.94 120.13 2gdd s TRP 51 Ca 0.04 -0.31 0.05 0.00 0.02 0.00 0.00 56.10 55.90 2gdd s TRP 51 Cb 0.02 -0.74 -0.00 0.00 -1.15 0.00 0.00 33.47 31.59 2gdd s TRP 51 CO 0.03 0.02 -0.21 0.08 0.02 0.00 0.00 176.95 176.89 2gdd s VAL 52 N -0.66 1.76 -0.15 4.03 1.01 0.12 -2.05 120.40 124.46 2gdd s VAL 52 Ca 0.03 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.05 2gdd s VAL 52 Cb -0.07 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 2gdd s VAL 52 CO 0.01 0.50 0.07 -0.22 0.00 0.00 0.00 175.10 175.45 2gdd s LEU 53 N 0.04 3.93 0.00 3.92 2.96 0.11 -0.71 118.68 128.93 2gdd s LEU 53 Ca -0.07 0.19 -0.03 0.00 -0.22 0.00 0.00 54.13 54.01 2gdd s LEU 53 Cb -0.14 -1.97 0.01 0.00 0.50 0.00 0.00 46.19 44.59 2gdd s LEU 53 CO 0.04 0.26 0.29 1.07 -1.32 0.00 0.00 176.35 176.69 2gdd n THR 54 N 2.93 0.00 -3.13 3.68 5.66 -0.75 -0.74 114.28 121.93 2gdd n THR 54 Ca -0.18 -0.76 -0.39 0.00 -3.05 0.00 0.00 64.05 59.67 2gdd n THR 54 Cb 0.53 0.53 -0.06 0.00 -1.55 0.00 0.00 70.33 69.78 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 -1.97 3.51 0.33 1.79 0.00 -1.26 -0.81 121.76 123.34 2gdd s ALA 55 Ca 0.12 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.30 2gdd s ALA 55 Cb -0.01 -2.79 0.57 0.00 0.00 0.00 0.00 23.12 20.89 2gdd s ALA 55 CO 0.09 0.35 1.87 0.00 0.00 0.00 0.00 175.76 178.07 2gdd h ALA 56 N 4.29 1.35 0.00 0.00 0.00 -1.66 -2.46 119.26 120.79 2gdd h ALA 56 Ca -0.48 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2gdd h ALA 56 Cb 1.21 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2gdd h ALA 56 CO 0.65 0.45 0.00 -2.39 0.00 0.00 0.00 179.25 177.96 2gdd n HIS 57 N -4.28 0.85 0.09 0.00 1.44 -1.26 -0.31 115.22 111.75 2gdd n HIS 57 Ca 0.02 0.35 -0.06 0.00 -2.01 0.00 0.00 57.72 56.01 2gdd n HIS 57 Cb 0.24 -1.06 0.05 0.00 0.12 0.00 0.00 29.99 29.34 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 -3.72 0.00 -3.17 0.00 0.24 -0.85 -5.04 118.33 105.80 2gdd n VAL 59 Ca -0.03 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.77 2gdd n VAL 59 Cb 0.73 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 34.11 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 0.04 4.47 0.10 7.63 0.00 0.58 -4.55 105.19 113.46 2gdd n GLY 60 Ca 0.00 -1.39 0.11 0.00 0.00 0.00 0.00 46.02 44.73 2gdd n GLY 60 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2gdd n PRO 60 N 0.00 0.15 -3.08 1.61 -0.04 -1.26 -4.54 135.00 127.84 2gdd n PRO 60 Ca 0.00 0.38 -0.39 0.00 -0.04 0.00 0.00 63.50 63.45 2gdd n PRO 60 Cb 0.00 -1.78 -0.06 0.00 -0.04 0.00 0.00 33.50 31.62 2gdd n PRO 60 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2gdd s ASP 60 N -3.93 7.22 0.38 3.54 1.11 -1.26 -5.02 116.67 118.70 2gdd s ASP 60 Ca 0.05 1.44 -0.28 0.00 0.18 0.00 0.00 52.55 53.95 2gdd s ASP 60 Cb 0.09 -2.44 -0.10 0.00 1.07 0.00 0.00 42.92 41.54 2gdd s ASP 60 CO 0.36 0.16 1.42 0.68 1.18 0.00 0.00 175.17 178.97 2gdd s VAL 60 N -0.72 2.27 0.38 -1.27 -7.23 -1.26 -5.01 120.40 107.55 2gdd s VAL 60 Ca 0.34 0.27 0.08 0.00 -1.81 0.00 0.00 61.98 60.86 2gdd s VAL 60 Cb -0.21 -3.17 -0.06 0.00 0.56 0.00 0.00 36.38 33.50 2gdd s VAL 60 CO 0.23 0.06 0.03 -0.54 -0.31 0.00 0.00 175.10 174.56 2gdd s LYS 60 N -2.07 2.02 -0.43 4.82 -0.14 -1.26 -5.08 119.74 117.60 2gdd s LYS 60 Ca 0.53 -1.92 -0.28 0.00 -1.36 0.00 0.00 55.97 52.94 2gdd s LYS 60 Cb -0.44 -1.81 0.02 0.00 -1.68 0.00 0.00 37.83 33.93 2gdd s LYS 60 CO 0.59 0.03 1.06 0.34 -0.76 0.00 0.00 175.35 176.60 2gdd s ASP 60 N -3.73 6.67 0.49 2.83 3.68 -1.26 -4.89 116.67 120.46 2gdd s ASP 60 Ca 0.36 0.53 0.20 0.00 2.13 0.00 0.00 52.55 55.77 2gdd s ASP 60 Cb 0.04 -2.52 1.24 0.00 -1.45 0.00 0.00 42.92 40.24 2gdd s ASP 60 CO 0.19 -1.09 2.00 -0.07 0.13 0.00 0.00 175.17 176.33 2gdd h LEU 61 N 10.72 0.14 -0.92 -1.34 3.38 -1.95 -1.55 115.31 123.80 2gdd h LEU 61 Ca -0.23 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.82 2gdd h LEU 61 Cb 1.07 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.72 2gdd h LEU 61 CO 1.07 0.08 0.58 0.00 0.09 0.00 0.00 178.44 180.26 2gdd h ALA 62 N 1.75 1.28 0.00 1.53 0.00 -1.90 -0.99 119.26 120.93 2gdd h ALA 62 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2gdd h ALA 62 Cb 0.74 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2gdd h ALA 62 CO -0.03 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.53 2gdd n ALA 63 N -2.36 2.29 -2.70 0.00 0.00 -0.58 -4.78 120.51 112.39 2gdd n ALA 63 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.34 2gdd n ALA 63 Cb 0.20 -1.00 -0.16 0.00 0.00 0.00 0.00 19.45 18.49 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 -0.60 1.97 0.05 0.00 2.96 -0.38 -1.04 118.68 121.64 2gdd s LEU 64 Ca 0.00 -0.31 -0.08 0.00 -0.22 0.00 0.00 54.13 53.53 2gdd s LEU 64 Cb 0.00 -0.87 -0.00 0.00 0.50 0.00 0.00 46.19 45.82 2gdd s LEU 64 CO 0.00 0.17 0.15 -0.13 -1.32 0.00 0.00 176.35 175.22 2gdd s ARG 65 N -0.19 0.69 -0.05 1.98 1.81 -0.43 -4.15 118.95 118.61 2gdd s ARG 65 Ca 0.02 -0.78 0.05 0.00 -1.72 0.00 0.00 55.73 53.30 2gdd s ARG 65 Cb -0.08 0.28 -0.02 0.00 -0.45 0.00 0.00 34.95 34.68 2gdd s ARG 65 CO 0.00 -0.19 -0.20 0.08 -0.68 0.00 0.00 175.30 174.31 2gdd s VAL 66 N -2.95 2.50 -0.18 3.52 1.01 0.35 0.33 120.40 124.98 2gdd s VAL 66 Ca -0.02 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 2gdd s VAL 66 Cb 0.01 -1.94 -0.00 0.00 0.00 0.00 0.00 36.38 34.44 2gdd s VAL 66 CO -0.06 0.58 -0.11 -1.58 0.00 0.00 0.00 175.10 173.93 2gdd s GLN 67 N -0.44 3.28 1.06 2.72 2.00 0.13 -0.41 119.66 128.00 2gdd s GLN 67 Ca 0.05 -0.69 -0.15 0.00 -2.00 0.00 0.00 55.36 52.56 2gdd s GLN 67 Cb -0.12 -2.79 0.22 0.00 0.80 0.00 0.00 33.01 31.12 2gdd s GLN 67 CO 0.01 -0.08 1.13 -0.51 -0.50 0.00 0.00 175.29 175.34 2gdd s LEU 68 N 1.11 1.42 0.08 3.68 1.43 -1.26 -0.89 118.68 124.25 2gdd s LEU 68 Ca 0.01 0.86 -0.31 0.00 -1.03 0.00 0.00 54.13 53.65 2gdd s LEU 68 Cb -0.14 -2.89 -0.17 0.00 0.03 0.00 0.00 46.19 43.02 2gdd s LEU 68 CO -0.03 -3.37 0.74 -1.14 0.23 0.00 0.00 176.35 172.79 2gdd n ARG 69 N -4.29 0.00 -3.81 1.70 0.63 -0.65 -4.72 116.66 105.53 2gdd n ARG 69 Ca 0.09 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.89 2gdd n ARG 69 Cb 0.59 -1.15 -0.14 0.00 0.45 0.00 0.00 32.46 32.20 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 -0.42 0.06 0.15 -0.14 2.12 -1.26 -5.05 118.70 114.17 2gdd s GLU 70 Ca 0.71 0.17 -0.08 0.00 0.36 0.00 0.00 54.97 56.13 2gdd s GLU 70 Cb -1.01 -0.06 -0.00 0.00 0.26 0.00 0.00 34.13 33.32 2gdd s GLU 70 CO 0.51 -0.07 1.45 0.37 -0.54 0.00 0.00 175.26 176.98 2gdd h GLN 71 N 6.52 0.76 -4.00 4.30 5.75 -1.94 -3.42 115.11 123.07 2gdd h GLN 71 Ca -0.32 -0.47 -0.47 0.00 -0.15 0.00 0.00 58.65 57.23 2gdd h GLN 71 Cb 1.18 0.05 -0.37 0.00 1.07 0.00 0.00 27.48 29.41 2gdd h GLN 71 CO 0.46 1.10 -0.78 -1.01 -2.65 0.00 0.00 178.83 175.95 2gdd s HIS 72 N -4.09 1.03 0.21 3.99 3.76 -1.26 -1.81 115.29 117.12 2gdd s HIS 72 Ca -0.09 -0.41 -0.32 0.00 -0.15 0.00 0.00 55.06 54.09 2gdd s HIS 72 Cb 0.11 -0.95 -0.14 0.00 1.11 0.00 0.00 32.58 32.70 2gdd s HIS 72 CO 0.87 -0.37 1.38 1.28 -0.85 0.00 0.00 174.74 177.05 2gdd n LEU 73 N 4.80 2.76 0.00 0.89 4.77 -0.41 -2.87 117.00 126.94 2gdd n LEU 73 Ca -0.13 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.98 2gdd n LEU 73 Cb 0.50 -1.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.21 2gdd n LEU 73 CO 0.16 -0.64 0.00 -1.22 -1.33 0.00 0.00 177.39 174.36 2gdd n TYR 74 N 1.99 0.00 0.00 -1.77 4.01 -1.26 -4.83 117.16 115.30 2gdd n TYR 74 Ca 0.13 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.78 2gdd n TYR 74 Cb 0.30 -0.05 0.06 0.00 -0.31 0.00 0.00 39.34 39.34 2gdd n TYR 74 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 2gdd h TYR 75 N 0.00 0.70 -0.58 -0.72 -1.99 -1.89 -3.32 116.97 109.17 2gdd h TYR 75 Ca 0.00 -0.24 -0.42 0.00 2.00 0.00 0.00 58.73 60.07 2gdd h TYR 75 Cb 0.00 -0.14 -0.36 0.00 2.00 0.00 0.00 36.73 38.23 2gdd h TYR 75 CO 0.00 0.96 -0.81 1.04 -0.00 0.00 0.00 178.16 179.35 2gdd n GLN 79 N -3.97 3.02 -1.66 4.88 1.13 -1.26 -5.08 117.38 114.43 2gdd n GLN 79 Ca -0.03 -3.92 -0.45 0.00 -1.94 0.00 0.00 57.00 50.66 2gdd n GLN 79 Cb 0.59 -2.05 -0.03 0.00 0.11 0.00 0.00 30.24 28.85 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 -0.73 2.71 -3.16 1.08 9.92 -1.25 -4.93 116.55 120.18 2gdd n ASP 80 Ca 0.35 1.13 -0.22 0.00 -0.53 0.00 0.00 54.79 55.52 2gdd n ASP 80 Cb 0.91 -1.41 -0.06 0.00 -0.64 0.00 0.00 41.12 39.92 2gdd n ASP 80 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 2gdd n GLN 81 N 2.23 0.65 -1.90 -1.24 -0.06 -1.26 -5.12 117.38 110.67 2gdd n GLN 81 Ca 0.13 -3.04 -0.41 0.00 -2.00 0.00 0.00 57.00 51.67 2gdd n GLN 81 Cb 0.30 -1.30 -0.02 0.00 -4.06 0.00 0.00 30.24 25.16 2gdd n GLN 81 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2gdd s LEU 82 N -0.94 4.37 -0.14 1.69 1.43 -1.26 -4.66 118.68 119.16 2gdd s LEU 82 Ca 0.34 2.78 -0.01 0.00 -1.03 0.00 0.00 54.13 56.21 2gdd s LEU 82 Cb 0.16 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.73 2gdd s LEU 82 CO -0.13 -0.80 -0.10 -0.76 0.23 0.00 0.00 176.35 174.78 2gdd s LEU 83 N -0.27 2.90 0.71 1.79 1.43 0.46 -4.92 118.68 120.77 2gdd s LEU 83 Ca 0.62 -0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 53.34 2gdd s LEU 83 Cb -0.45 -1.67 0.02 0.00 0.03 0.00 0.00 46.19 44.13 2gdd s LEU 83 CO 0.44 0.16 1.08 -2.16 0.23 0.00 0.00 176.35 176.11 2gdd s PRO 84 N 0.36 2.66 -0.07 1.29 0.04 -1.26 -0.49 135.00 137.53 2gdd s PRO 84 Ca -0.08 1.15 0.05 0.00 0.04 0.00 0.00 61.00 62.15 2gdd s PRO 84 Cb -0.15 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 2gdd s PRO 84 CO 0.05 -1.33 -0.22 0.08 0.04 0.00 0.00 177.00 175.62 2gdd s VAL 85 N -2.80 2.32 -0.14 -0.36 1.01 -1.26 -2.69 120.40 116.49 2gdd s VAL 85 Ca 0.62 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.69 2gdd s VAL 85 Cb -0.17 -1.87 -0.23 0.00 0.00 0.00 0.00 36.38 34.11 2gdd s VAL 85 CO 0.51 0.57 0.29 -1.54 0.00 0.00 0.00 175.10 174.93 2gdd n SER 86 N 2.98 1.27 -3.98 3.32 3.41 -0.10 -4.83 113.62 115.69 2gdd n SER 86 Ca -0.18 0.17 -0.10 0.00 -0.26 0.00 0.00 58.87 58.50 2gdd n SER 86 Cb 0.52 -0.15 -0.11 0.00 -0.26 0.00 0.00 64.21 64.21 2gdd n SER 86 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2gdd s ARG 87 N -2.55 0.31 -0.22 4.33 0.52 -1.19 -5.02 118.95 115.13 2gdd s ARG 87 Ca -0.17 -0.56 0.01 0.00 -0.52 0.00 0.00 55.73 54.49 2gdd s ARG 87 Cb 0.07 0.05 0.06 0.00 0.52 0.00 0.00 34.95 35.65 2gdd s ARG 87 CO 0.77 -0.03 -0.06 0.42 0.02 0.00 0.00 175.30 176.42 2gdd s ILE 88 N -1.30 1.50 -0.29 1.52 1.01 -1.26 -1.80 121.20 120.57 2gdd s ILE 88 Ca -0.14 -1.14 -0.05 0.00 0.00 0.00 0.00 60.65 59.33 2gdd s ILE 88 Cb -0.09 -1.74 0.03 0.00 0.01 0.00 0.00 42.46 40.67 2gdd s ILE 88 CO -0.01 -0.05 0.04 -0.63 0.00 0.00 0.00 174.94 174.29 2gdd s ILE 89 N 1.42 3.48 -0.08 2.92 1.01 0.99 -4.97 121.20 125.98 2gdd s ILE 89 Ca -0.05 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 59.59 2gdd s ILE 89 Cb -0.18 -2.87 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 2gdd s ILE 89 CO -0.07 0.02 0.02 -0.69 0.00 0.00 0.00 174.94 174.23 2gdd s VAL 90 N 1.39 4.48 0.07 2.92 1.01 -1.26 0.14 120.40 129.14 2gdd s VAL 90 Ca -0.00 -0.23 -0.31 0.00 0.00 0.00 0.00 61.98 61.44 2gdd s VAL 90 Cb -0.18 -2.91 -0.10 0.00 0.00 0.00 0.00 36.38 33.19 2gdd s VAL 90 CO 0.00 0.57 1.91 1.57 0.00 0.00 0.00 175.10 179.15 2gdd n HIS 91 N 2.00 2.55 0.22 5.22 -0.00 -1.06 -4.82 115.22 119.34 2gdd n HIS 91 Ca -0.18 -0.25 0.12 0.00 0.46 0.00 0.00 57.72 57.86 2gdd n HIS 91 Cb 0.54 -2.76 0.62 0.00 -0.12 0.00 0.00 29.99 28.26 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 9.58 0.00 -0.00 1.57 0.13 -1.93 0.10 132.00 141.45 2gdd h PRO 92 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2gdd h PRO 92 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2gdd h PRO 92 CO 0.94 0.00 -0.25 0.94 -0.23 0.00 0.00 178.00 179.40 2gdd n GLN 93 N -2.41 0.08 -2.85 0.86 -0.06 -1.26 -4.91 117.38 106.83 2gdd n GLN 93 Ca -0.02 -0.03 -0.41 0.00 -2.00 0.00 0.00 57.00 54.55 2gdd n GLN 93 Cb 0.23 -1.50 -0.05 0.00 -4.06 0.00 0.00 30.24 24.86 2gdd n GLN 93 CO 0.00 0.00 0.00 0.12 -0.20 0.00 0.00 177.06 176.98 2gdd s PHE 94 N -2.94 3.76 0.00 3.69 5.36 0.02 -4.80 117.98 123.07 2gdd s PHE 94 Ca 0.14 1.63 0.00 0.00 -0.96 0.00 0.00 56.93 57.74 2gdd s PHE 94 Cb 0.18 -2.95 0.00 0.00 -0.34 0.00 0.00 43.02 39.92 2gdd s PHE 94 CO 0.61 0.22 0.00 0.98 -1.46 0.00 0.00 175.22 175.57 2gdd n TYR 95 N 2.88 0.00 -3.86 10.12 9.36 -1.26 -4.87 117.16 129.53 2gdd n TYR 95 Ca 0.00 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.12 2gdd n TYR 95 Cb 0.50 0.09 -0.09 0.00 -0.63 0.00 0.00 39.34 39.21 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 -1.24 0.11 0.24 2.97 -4.23 -1.26 -4.60 115.64 107.63 2gdd s THR 96 Ca 0.00 -0.93 -0.05 0.00 -1.18 0.00 0.00 61.69 59.54 2gdd s THR 96 Cb 0.00 -0.89 0.16 0.00 1.34 0.00 0.00 72.50 73.11 2gdd s THR 96 CO 0.00 -0.51 1.81 0.00 -0.54 0.00 0.00 174.62 175.38 2gdd h ALA 97 N 3.52 1.13 -0.43 3.99 0.00 -1.95 -2.36 119.26 123.16 2gdd h ALA 97 Ca -0.32 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 2gdd h ALA 97 Cb 1.19 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2gdd h ALA 97 CO 0.48 0.61 0.04 1.96 0.00 0.00 0.00 179.25 182.35 2gdd h GLN 98 N 1.02 0.67 -0.23 0.00 7.50 -1.97 -2.83 115.11 119.26 2gdd h GLN 98 Ca 0.23 -0.15 -0.10 0.00 0.50 0.00 0.00 58.65 59.13 2gdd h GLN 98 Cb 0.23 -0.10 -0.00 0.00 0.05 0.00 0.00 27.48 27.67 2gdd h GLN 98 CO -0.02 0.66 -0.26 0.82 -1.50 0.00 0.00 178.83 178.53 2gdd h ILE 99 N 0.64 1.32 0.00 2.54 2.04 -1.88 -3.46 117.51 118.71 2gdd h ILE 99 Ca 0.14 -1.44 0.00 0.00 1.00 0.00 0.00 64.86 64.56 2gdd h ILE 99 Cb 0.34 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 2gdd h ILE 99 CO 0.01 0.45 0.00 0.61 0.00 0.00 0.00 178.15 179.22 2gdd n GLY 100 N 0.21 0.92 3.65 5.37 0.00 -0.92 -5.00 105.19 109.42 2gdd n GLY 100 Ca -0.05 -2.10 -0.25 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.29 -2.15 4.61 0.00 -1.26 -4.43 120.51 114.99 2gdd n ALA 101 Ca 0.00 0.36 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 2gdd n ALA 101 Cb 0.00 -5.28 0.00 0.00 0.00 0.00 0.00 19.45 14.17 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 -2.96 4.51 -3.81 0.00 2.03 -1.26 -4.33 116.55 110.72 2gdd n ASP 102 Ca 0.01 -2.94 -0.12 0.00 0.52 0.00 0.00 54.79 52.26 2gdd n ASP 102 Cb 0.55 -1.62 -0.09 0.00 -0.72 0.00 0.00 41.12 39.24 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 2.48 0.07 0.17 5.18 2.07 -1.26 -3.78 121.20 126.13 2gdd s ILE 103 Ca 0.46 -0.60 -0.22 0.00 -1.41 0.00 0.00 60.65 58.88 2gdd s ILE 103 Cb 0.10 -0.55 0.06 0.00 0.13 0.00 0.00 42.46 42.19 2gdd s ILE 103 CO -0.03 -0.33 0.59 0.00 -1.91 0.00 0.00 174.94 173.26 2gdd s ALA 104 N -1.45 -1.49 0.01 1.50 0.00 0.01 -2.55 121.76 117.80 2gdd s ALA 104 Ca -0.14 0.37 0.08 0.00 0.00 0.00 0.00 51.96 52.27 2gdd s ALA 104 Cb -0.06 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 23.90 2gdd s ALA 104 CO 0.03 -0.78 -0.24 -0.51 0.00 0.00 0.00 175.76 174.26 2gdd s LEU 105 N -2.77 2.11 -0.19 0.00 1.43 0.36 -1.81 118.68 117.81 2gdd s LEU 105 Ca 0.02 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 2gdd s LEU 105 Cb -0.01 -1.18 0.03 0.00 0.03 0.00 0.00 46.19 45.06 2gdd s LEU 105 CO -0.11 0.25 -0.17 -0.76 0.23 0.00 0.00 176.35 175.79 2gdd s LEU 106 N -0.88 2.30 -0.20 1.79 1.43 0.11 -0.00 118.68 123.23 2gdd s LEU 106 Ca 0.09 -0.78 -0.15 0.00 -1.03 0.00 0.00 54.13 52.27 2gdd s LEU 106 Cb -0.09 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 2gdd s LEU 106 CO 0.01 -0.06 0.34 -0.70 0.23 0.00 0.00 176.35 176.17 2gdd s GLU 107 N 1.30 4.17 0.66 1.70 2.12 -0.75 -0.71 118.70 127.20 2gdd s GLU 107 Ca 0.02 0.11 -0.11 0.00 0.36 0.00 0.00 54.97 55.35 2gdd s GLU 107 Cb -0.14 -3.52 -0.01 0.00 0.26 0.00 0.00 34.13 30.71 2gdd s GLU 107 CO -0.11 0.02 1.05 -0.51 -0.54 0.00 0.00 175.26 175.17 2gdd s LEU 108 N 1.15 3.10 0.48 2.70 1.43 0.02 -0.92 118.68 126.63 2gdd s LEU 108 Ca 0.17 1.39 0.27 0.00 -1.03 0.00 0.00 54.13 54.93 2gdd s LEU 108 Cb -0.14 -4.33 0.80 0.00 0.03 0.00 0.00 46.19 42.55 2gdd s LEU 108 CO 0.07 -1.15 1.77 -0.33 0.23 0.00 0.00 176.35 176.94 2gdd h GLU 109 N -0.52 0.00 -3.69 1.70 5.08 -1.83 -3.40 114.58 111.91 2gdd h GLU 109 Ca -0.44 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.75 2gdd h GLU 109 Cb 1.21 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.25 2gdd h GLU 109 CO 0.61 0.05 -0.59 -1.21 -1.00 0.00 0.00 179.01 176.87 2gdd s GLU 110 N -3.42 0.36 0.51 2.33 0.41 -1.26 -5.02 118.70 112.61 2gdd s GLU 110 Ca 0.04 -0.41 -0.20 0.00 -0.41 0.00 0.00 54.97 53.99 2gdd s GLU 110 Cb 0.07 0.15 -0.07 0.00 -1.78 0.00 0.00 34.13 32.50 2gdd s GLU 110 CO 0.62 -0.08 1.10 -1.25 -0.49 0.00 0.00 175.26 175.16 2gdd s PRO 111 N -1.22 3.60 0.22 0.39 0.04 -1.26 -4.74 135.00 132.03 2gdd s PRO 111 Ca -0.13 1.54 0.01 0.00 0.04 0.00 0.00 61.00 62.45 2gdd s PRO 111 Cb -0.08 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 2gdd s PRO 111 CO 0.00 -0.63 0.39 0.14 0.04 0.00 0.00 177.00 176.95 2gdd s VAL 112 N -1.81 5.21 -0.20 -0.36 -7.23 0.24 -4.97 120.40 111.29 2gdd s VAL 112 Ca 0.69 -0.52 -0.23 0.00 -1.81 0.00 0.00 61.98 60.11 2gdd s VAL 112 Cb -0.22 -3.77 -0.02 0.00 0.56 0.00 0.00 36.38 32.93 2gdd s VAL 112 CO 0.25 -0.24 0.73 -0.54 -0.31 0.00 0.00 175.10 174.98 2gdd s LYS 113 N -3.56 4.23 0.43 4.82 -0.14 -1.26 -4.82 119.74 119.43 2gdd s LYS 113 Ca 0.37 0.79 -0.14 0.00 -1.36 0.00 0.00 55.97 55.63 2gdd s LYS 113 Cb -0.10 -3.59 -0.08 0.00 -1.68 0.00 0.00 37.83 32.37 2gdd s LYS 113 CO 0.30 -0.33 0.86 0.08 -0.76 0.00 0.00 175.35 175.50 2gdd s VAL 114 N 2.19 4.64 0.19 3.17 1.01 -1.26 -4.92 120.40 125.42 2gdd s VAL 114 Ca 0.33 0.97 -0.10 0.00 0.00 0.00 0.00 61.98 63.18 2gdd s VAL 114 Cb -0.16 -3.69 0.04 0.00 0.00 0.00 0.00 36.38 32.57 2gdd s VAL 114 CO 0.10 -0.50 0.49 -1.54 0.00 0.00 0.00 175.10 173.66 2gdd n SER 115 N -1.16 -1.22 0.03 3.32 3.41 0.14 -4.98 113.62 113.17 2gdd n SER 115 Ca 0.04 -1.79 -0.01 0.00 -0.26 0.00 0.00 58.87 56.85 2gdd n SER 115 Cb 0.54 2.01 0.26 0.00 -0.26 0.00 0.00 64.21 66.76 2gdd n SER 115 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2gdd h SER 116 N 1.13 0.43 1.28 4.04 0.02 -2.01 -2.89 113.55 115.55 2gdd h SER 116 Ca -0.18 -0.12 -0.13 0.00 -0.84 0.00 0.00 61.79 60.53 2gdd h SER 116 Cb 0.70 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 2gdd h SER 116 CO 0.23 0.62 -0.74 -0.74 -1.14 0.00 0.00 176.83 175.06 2gdd h HIS 117 N 0.40 0.00 -2.25 3.45 -0.00 -1.95 -3.44 115.15 111.36 2gdd h HIS 117 Ca 0.07 0.00 -0.24 0.00 -0.00 0.00 0.00 60.37 60.20 2gdd h HIS 117 Cb 0.53 0.00 -0.33 0.00 -0.00 0.00 0.00 27.41 27.61 2gdd h HIS 117 CO 0.02 0.55 -0.56 0.54 -0.00 0.00 0.00 177.93 178.48 2gdd s VAL 118 N -2.93 -0.45 0.28 5.26 0.11 -1.09 -4.45 120.40 117.13 2gdd s VAL 118 Ca 0.02 -0.09 -0.09 0.00 -2.93 0.00 0.00 61.98 58.89 2gdd s VAL 118 Cb 0.08 -0.73 -0.00 0.00 -1.53 0.00 0.00 36.38 34.19 2gdd s VAL 118 CO 0.77 -0.16 0.47 -1.38 -3.33 0.00 0.00 175.10 171.47 2gdd s HIS 119 N 2.42 0.62 0.80 1.54 -3.43 -1.22 0.29 115.29 116.32 2gdd s HIS 119 Ca 0.09 -0.96 -0.12 0.00 -0.80 0.00 0.00 55.06 53.28 2gdd s HIS 119 Cb -0.16 0.09 0.07 0.00 -1.43 0.00 0.00 32.58 31.16 2gdd s HIS 119 CO -0.14 -1.05 1.10 0.95 -2.00 0.00 0.00 174.74 173.60 2gdd s THR 120 N -3.60 3.00 0.04 -5.38 -4.23 -1.26 -3.01 115.64 101.19 2gdd s THR 120 Ca 0.26 0.32 0.01 0.00 -1.18 0.00 0.00 61.69 61.10 2gdd s THR 120 Cb -0.00 -3.07 -0.04 0.00 1.34 0.00 0.00 72.50 70.73 2gdd s THR 120 CO 0.13 -0.42 0.08 0.54 -0.54 0.00 0.00 174.62 174.41 2gdd s VAL 121 N -3.16 4.63 0.01 2.29 0.11 -0.01 -4.81 120.40 119.46 2gdd s VAL 121 Ca 0.61 -0.60 -0.28 0.00 -2.93 0.00 0.00 61.98 58.78 2gdd s VAL 121 Cb -0.14 -3.18 -0.04 0.00 -1.53 0.00 0.00 36.38 31.49 2gdd s VAL 121 CO 0.54 0.23 0.90 -0.89 -3.33 0.00 0.00 175.10 172.55 2gdd s THR 122 N -1.30 4.82 0.31 5.04 2.01 -1.24 -4.68 115.64 120.59 2gdd s THR 122 Ca 0.27 1.89 -0.20 0.00 0.31 0.00 0.00 61.69 63.96 2gdd s THR 122 Cb -0.12 -4.24 -0.09 0.00 0.01 0.00 0.00 72.50 68.05 2gdd s THR 122 CO 0.19 0.23 0.82 -0.76 -0.69 0.00 0.00 174.62 174.40 2gdd s LEU 123 N 0.66 4.20 0.52 4.42 1.02 -1.26 -1.70 118.68 126.54 2gdd s LEU 123 Ca 0.47 1.53 -0.17 0.00 0.02 0.00 0.00 54.13 55.98 2gdd s LEU 123 Cb -0.21 -3.98 -0.07 0.00 0.02 0.00 0.00 46.19 41.94 2gdd s LEU 123 CO 0.26 -0.12 0.99 -2.16 0.02 0.00 0.00 176.35 175.34 2gdd s PRO 124 N -2.47 3.88 0.43 1.29 0.04 -1.26 -4.87 135.00 132.04 2gdd s PRO 124 Ca 0.51 0.99 -0.24 0.00 0.04 0.00 0.00 61.00 62.30 2gdd s PRO 124 Cb -0.14 -2.12 -0.08 0.00 0.04 0.00 0.00 34.50 32.19 2gdd s PRO 124 CO 0.19 -0.33 1.12 -1.25 0.04 0.00 0.00 177.00 176.77 2gdd s PRO 125 N -4.05 3.96 0.66 0.56 0.04 -1.26 -4.88 135.00 130.03 2gdd s PRO 125 Ca 0.60 1.67 0.19 0.00 0.04 0.00 0.00 61.00 63.49 2gdd s PRO 125 Cb -0.11 -2.49 1.00 0.00 0.04 0.00 0.00 34.50 32.95 2gdd s PRO 125 CO 0.32 -0.36 1.56 0.00 0.04 0.00 0.00 177.00 178.56 2gdd h ALA 126 N 2.29 1.64 -0.01 8.56 0.00 -1.96 0.25 119.26 130.02 2gdd h ALA 126 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2gdd h ALA 126 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2gdd h ALA 126 CO 0.61 -0.62 -0.20 -1.13 0.00 0.00 0.00 179.25 177.91 2gdd n SER 127 N -2.77 1.69 -4.70 0.00 3.41 -1.26 -4.93 113.62 105.05 2gdd n SER 127 Ca -0.01 -1.37 -0.42 0.00 -0.26 0.00 0.00 58.87 56.82 2gdd n SER 127 Cb 0.64 0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.72 2gdd n SER 127 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2gdd s GLU 128 N -2.29 4.24 -0.20 4.33 2.56 0.08 -4.93 118.70 122.48 2gdd s GLU 128 Ca 0.27 2.24 0.14 0.00 0.00 0.00 0.00 54.97 57.62 2gdd s GLU 128 Cb 0.20 -3.40 -0.22 0.00 2.00 0.00 0.00 34.13 32.70 2gdd s GLU 128 CO 0.45 -0.62 0.00 -2.37 -0.56 0.00 0.00 175.26 172.17 2gdd n THR 129 N 4.35 1.34 -3.22 -1.70 5.66 -1.26 -4.93 114.28 114.52 2gdd n THR 129 Ca 0.14 -0.76 -0.10 0.00 -3.05 0.00 0.00 64.05 60.28 2gdd n THR 129 Cb 0.41 -0.68 0.04 0.00 -1.55 0.00 0.00 70.33 68.54 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 -2.82 -2.63 -1.23 1.09 3.72 -1.26 -4.95 117.46 109.36 2gdd n PHE 130 Ca -0.34 0.95 -0.31 0.00 -0.05 0.00 0.00 57.45 57.69 2gdd n PHE 130 Cb 1.09 -4.02 0.10 0.00 -0.94 0.00 0.00 39.48 35.71 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 -3.94 2.18 0.88 -1.08 0.04 -1.26 -4.94 135.00 126.88 2gdd s PRO 131 Ca 0.25 1.21 -0.12 0.00 0.04 0.00 0.00 61.00 62.38 2gdd s PRO 131 Cb -0.04 -1.89 0.10 0.00 0.04 0.00 0.00 34.50 32.71 2gdd s PRO 131 CO 0.76 -1.71 0.98 -0.35 0.04 0.00 0.00 177.00 176.72 2gdd n PRO 132 N -3.54 -0.20 0.00 0.56 -0.04 -1.26 -2.96 135.00 127.56 2gdd n PRO 132 Ca 0.09 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2gdd n PRO 132 Cb 0.53 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 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 0.69 2.58 3.63 0.55 0.00 -1.25 -4.99 105.19 106.41 2gdd n GLY 133 Ca 0.11 -0.57 -0.45 0.00 0.00 0.00 0.00 46.02 45.11 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 2.31 -2.24 1.61 0.00 -1.16 -4.91 117.12 112.73 2gdd n MET 134 Ca 0.00 0.79 -0.41 0.00 0.00 0.00 0.00 57.70 58.08 2gdd n MET 134 Cb 0.00 -2.93 -0.03 0.00 0.00 0.00 0.00 33.22 30.27 2gdd n MET 134 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 2gdd s PRO 135 N 4.99 4.44 0.18 2.12 0.02 -1.26 -4.48 135.00 141.01 2gdd s PRO 135 Ca 0.95 2.05 0.00 0.00 0.02 0.00 0.00 61.00 64.02 2gdd s PRO 135 Cb -0.51 -3.15 -0.04 0.00 0.02 0.00 0.00 34.50 30.81 2gdd s PRO 135 CO 0.44 -0.11 0.06 0.00 -0.33 0.00 0.00 177.00 177.05 2gdd s TRP 137 N -3.88 1.31 -0.01 0.00 0.52 0.40 -1.22 118.94 116.06 2gdd s TRP 137 Ca 0.30 -0.49 0.04 0.00 0.02 0.00 0.00 56.10 55.97 2gdd s TRP 137 Cb 0.07 -0.72 -0.01 0.00 -1.15 0.00 0.00 33.47 31.66 2gdd s TRP 137 CO 0.07 0.09 -0.14 0.54 0.02 0.00 0.00 176.95 177.53 2gdd s VAL 138 N -1.54 1.13 0.11 4.03 0.11 -0.77 -0.84 120.40 122.62 2gdd s VAL 138 Ca 0.02 -0.62 0.04 0.00 -2.93 0.00 0.00 61.98 58.49 2gdd s VAL 138 Cb -0.08 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 2gdd s VAL 138 CO 0.03 0.31 -0.11 0.42 -3.33 0.00 0.00 175.10 172.42 2gdd s THR 139 N -0.35 1.02 0.00 5.04 -4.23 -1.21 -2.16 115.64 113.75 2gdd s THR 139 Ca 0.05 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 2gdd s THR 139 Cb -0.06 -1.45 0.00 0.00 1.34 0.00 0.00 72.50 72.34 2gdd s THR 139 CO -0.01 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.12 2gdd n GLY 140 N 0.46 -0.92 0.90 3.99 0.00 -1.00 -4.39 105.19 104.22 2gdd n GLY 140 Ca -0.15 -1.17 0.04 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.52 0.90 -1.67 1.61 8.01 -1.26 -2.07 117.44 122.43 2gdd n TRP 141 Ca 0.00 -1.14 -0.25 0.00 -1.31 0.00 0.00 57.50 54.80 2gdd n TRP 141 Cb 0.00 -0.36 0.18 0.00 -2.01 0.00 0.00 31.31 29.12 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 -0.83 -1.63 3.63 6.99 0.00 -1.26 -4.71 105.19 107.39 2gdd n GLY 142 Ca 0.25 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 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 -3.85 1.60 -0.26 1.61 8.00 0.33 -2.60 116.55 121.38 2gdd n ASP 143 Ca 0.14 1.05 0.14 0.00 0.71 0.00 0.00 54.79 56.83 2gdd n ASP 143 Cb 0.49 -1.39 0.69 0.00 -0.02 0.00 0.00 41.12 40.89 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 -0.44 0.02 0.00 2.53 0.24 0.05 -0.74 118.33 119.98 2gdd n VAL 144 Ca 0.09 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 2gdd n VAL 144 Cb 0.39 0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.81 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 -0.34 0.00 -4.65 -1.34 4.64 -1.20 -4.42 116.55 109.24 2gdd n ASP 145 Ca 0.20 0.00 -0.42 0.00 -1.38 0.00 0.00 54.79 53.19 2gdd n ASP 145 Cb 0.24 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.29 2gdd n ASP 145 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 2gdd n ASN 146 N 0.00 3.99 -2.11 1.67 4.13 -1.26 -1.62 115.26 120.06 2gdd n ASN 146 Ca 0.00 0.75 -0.19 0.00 1.68 0.00 0.00 54.58 56.82 2gdd n ASN 146 Cb 0.00 -1.53 -0.02 0.00 -1.54 0.00 0.00 39.78 36.69 2gdd n ASN 146 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2gdd n ASP 147 N 8.42 -5.55 -3.85 6.41 8.00 -1.26 -4.96 116.55 123.76 2gdd n ASP 147 Ca 0.22 0.05 -0.30 0.00 0.71 0.00 0.00 54.79 55.47 2gdd n ASP 147 Cb 0.42 -4.61 -0.15 0.00 -0.02 0.00 0.00 41.12 36.76 2gdd n ASP 147 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2gdd s GLU 149 N -4.78 1.06 0.53 -1.24 2.12 -0.64 -5.10 118.70 110.65 2gdd s GLU 149 Ca 0.00 -1.29 -0.20 0.00 0.36 0.00 0.00 54.97 53.84 2gdd s GLU 149 Cb 0.00 -2.44 -0.06 0.00 0.26 0.00 0.00 34.13 31.89 2gdd s GLU 149 CO 0.00 -0.91 1.17 1.03 -0.54 0.00 0.00 175.26 176.01 2gdd s ARG 150 N 1.38 3.37 0.00 4.30 1.81 -1.26 -0.77 118.95 127.78 2gdd s ARG 150 Ca 0.08 1.74 0.00 0.00 -1.72 0.00 0.00 55.73 55.83 2gdd s ARG 150 Cb -0.18 -2.11 0.00 0.00 -0.45 0.00 0.00 34.95 32.21 2gdd s ARG 150 CO -0.17 -0.86 0.00 -0.11 -0.68 0.00 0.00 175.30 173.48 2gdd n LEU 151 N -1.12 0.00 -0.49 2.53 7.94 -1.26 -4.57 117.00 120.03 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 0.49 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.44 2gdd n LEU 151 CO 0.45 -0.78 0.00 -0.81 -1.11 0.00 0.00 177.39 175.14 2gdd n PRO 152 N -0.87 0.00 -3.11 1.96 -0.04 -1.26 -5.02 135.00 126.67 2gdd n PRO 152 Ca 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 2gdd n PRO 152 Cb 0.00 -0.40 0.00 0.00 -0.04 0.00 0.00 33.50 33.07 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 0.05 -2.99 -3.01 0.54 3.72 -1.26 -3.72 117.46 110.79 2gdd n PHE 153 Ca 0.00 1.16 -0.33 0.00 -0.05 0.00 0.00 57.45 58.23 2gdd n PHE 153 Cb 0.00 -3.91 -0.06 0.00 -0.94 0.00 0.00 39.48 34.56 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 -3.10 4.12 0.03 -1.08 0.04 -1.26 -1.29 135.00 132.45 2gdd s PRO 154 Ca 0.06 0.86 -0.30 0.00 0.04 0.00 0.00 61.00 61.66 2gdd s PRO 154 Cb -0.02 -2.38 -0.07 0.00 0.04 0.00 0.00 34.50 32.08 2gdd s PRO 154 CO 0.77 0.11 1.49 -1.17 0.04 0.00 0.00 177.00 178.24 2gdd s LEU 155 N -2.96 4.34 0.30 -3.56 2.96 -0.75 -4.81 118.68 114.19 2gdd s LEU 155 Ca 0.56 2.26 0.07 0.00 -0.22 0.00 0.00 54.13 56.80 2gdd s LEU 155 Cb -0.10 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 2gdd s LEU 155 CO 0.16 -0.78 0.26 -0.54 -1.32 0.00 0.00 176.35 174.13 2gdd s LYS 156 N 2.41 2.82 0.05 1.98 1.02 -0.88 -0.43 119.74 126.70 2gdd s LYS 156 Ca 0.67 -1.18 -0.03 0.00 0.02 0.00 0.00 55.97 55.45 2gdd s LYS 156 Cb -0.35 -2.52 -0.02 0.00 -0.52 0.00 0.00 37.83 34.42 2gdd s LYS 156 CO 0.29 0.23 0.04 1.14 -0.92 0.00 0.00 175.35 176.12 2gdd s GLN 157 N -3.93 0.59 -0.28 1.68 -2.07 -0.75 -2.38 119.66 112.52 2gdd s GLN 157 Ca 0.38 -0.96 -0.22 0.00 -1.82 0.00 0.00 55.36 52.74 2gdd s GLN 157 Cb -0.07 0.22 0.09 0.00 -1.09 0.00 0.00 33.01 32.16 2gdd s GLN 157 CO 0.26 -0.13 0.78 0.54 -1.32 0.00 0.00 175.29 175.42 2gdd s VAL 158 N -3.15 0.00 -0.13 3.63 0.11 -0.92 -2.13 120.40 117.81 2gdd s VAL 158 Ca -0.00 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.78 2gdd s VAL 158 Cb 0.02 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.85 2gdd s VAL 158 CO -0.07 0.00 0.87 -0.75 -3.33 0.00 0.00 175.10 171.82 2gdd s LYS 159 N 0.76 4.36 -0.02 1.54 2.20 -1.26 -1.85 119.74 125.47 2gdd s LYS 159 Ca -0.03 1.12 0.05 0.00 -0.36 0.00 0.00 55.97 56.75 2gdd s LYS 159 Cb -0.05 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.70 2gdd s LYS 159 CO -0.07 -0.27 -0.15 0.14 -0.36 0.00 0.00 175.35 174.64 2gdd s VAL 160 N 1.91 3.00 -0.09 4.02 -7.23 -0.36 -4.92 120.40 116.72 2gdd s VAL 160 Ca 0.41 -0.85 -0.26 0.00 -1.81 0.00 0.00 61.98 59.47 2gdd s VAL 160 Cb -0.17 -2.20 -0.03 0.00 0.56 0.00 0.00 36.38 34.54 2gdd s VAL 160 CO 0.15 0.52 0.82 -2.16 -0.31 0.00 0.00 175.10 174.12 2gdd s PRO 161 N -0.95 4.41 0.19 4.82 0.04 -1.26 -3.66 135.00 138.60 2gdd s PRO 161 Ca 0.13 1.07 -0.25 0.00 0.04 0.00 0.00 61.00 61.99 2gdd s PRO 161 Cb -0.11 -3.50 -0.08 0.00 0.04 0.00 0.00 34.50 30.85 2gdd s PRO 161 CO 0.02 -0.13 0.79 0.42 0.04 0.00 0.00 177.00 178.14 2gdd s ILE 162 N 1.41 4.38 0.07 0.56 1.01 -1.26 -1.22 121.20 126.15 2gdd s ILE 162 Ca 0.41 1.65 0.04 0.00 0.00 0.00 0.00 60.65 62.75 2gdd s ILE 162 Cb -0.18 -4.08 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 2gdd s ILE 162 CO 0.18 0.43 -0.11 -0.04 0.00 0.00 0.00 174.94 175.40 2gdd s MET 163 N -1.38 0.74 0.48 2.79 -1.94 -0.97 -3.75 119.30 115.27 2gdd s MET 163 Ca 0.38 -0.96 -0.24 0.00 -1.71 0.00 0.00 55.69 53.16 2gdd s MET 163 Cb -0.22 -0.56 -0.07 0.00 2.01 0.00 0.00 34.83 35.99 2gdd s MET 163 CO 0.25 0.11 1.41 -1.21 -0.01 0.00 0.00 175.02 175.58 2gdd s GLU 164 N -2.04 3.53 0.22 2.03 2.02 -1.26 -4.41 118.70 118.80 2gdd s GLU 164 Ca -0.02 2.38 -0.08 0.00 0.02 0.00 0.00 54.97 57.27 2gdd s GLU 164 Cb -0.08 -2.55 0.36 0.00 0.10 0.00 0.00 34.13 31.96 2gdd s GLU 164 CO 0.01 -0.93 1.68 -0.91 0.02 0.00 0.00 175.26 175.13 2gdd h ASN 165 N 2.09 -0.11 0.57 -0.19 -0.26 -1.93 -0.84 115.58 114.90 2gdd h ASN 165 Ca -0.51 0.14 -0.01 0.00 -0.56 0.00 0.00 56.30 55.37 2gdd h ASN 165 Cb 1.28 0.22 -0.00 0.00 -1.06 0.00 0.00 38.32 38.76 2gdd h ASN 165 CO 0.60 -0.06 -0.02 1.12 -1.06 0.00 0.00 177.43 178.00 2gdd h HIS 166 N 0.20 0.00 -0.01 1.19 2.07 -1.91 -0.57 115.15 116.12 2gdd h HIS 166 Ca 0.36 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.77 2gdd h HIS 166 Cb 0.58 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.57 2gdd h HIS 166 CO -0.30 0.02 -0.42 0.82 -3.07 0.00 0.00 177.93 174.97 2gdd h ILE 167 N 0.00 1.48 -0.10 6.12 1.08 -1.52 -2.69 117.51 121.88 2gdd h ILE 167 Ca -0.00 -2.00 -0.13 0.00 -0.39 0.00 0.00 64.86 62.34 2gdd h ILE 167 Cb 0.32 2.66 -0.01 0.00 -3.07 0.00 0.00 36.82 36.72 2gdd h ILE 167 CO 0.00 0.57 -0.52 0.00 -0.69 0.00 0.00 178.15 177.51 2gdd h ASP 169 N 0.20 0.75 -0.61 0.00 3.58 -1.17 -0.57 116.42 118.60 2gdd h ASP 169 Ca 0.01 -0.31 0.00 0.00 0.42 0.00 0.00 57.03 57.16 2gdd h ASP 169 Cb 0.98 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.80 2gdd h ASP 169 CO 0.08 0.87 0.40 0.00 -2.88 0.00 0.00 179.24 177.71 2gdd h ALA 170 N 0.90 0.78 -0.65 -0.78 0.00 -1.29 -2.32 119.26 115.90 2gdd h ALA 170 Ca 0.12 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2gdd h ALA 170 Cb 0.49 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2gdd h ALA 170 CO 0.02 0.22 0.15 0.87 0.00 0.00 0.00 179.25 180.51 2gdd h LYS 171 N 0.83 1.03 0.00 0.00 1.57 -1.08 -1.63 116.57 117.29 2gdd h LYS 171 Ca 0.22 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2gdd h LYS 171 Cb -0.08 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.09 2gdd h LYS 171 CO -0.05 0.92 -0.02 1.88 -0.57 0.00 0.00 179.45 181.60 2gdd h TYR 172 N 0.98 0.00 0.00 -1.35 -1.99 -0.58 -0.60 116.97 113.44 2gdd h TYR 172 Ca 0.21 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.94 2gdd h TYR 172 Cb 0.35 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.08 2gdd h TYR 172 CO 0.03 0.02 -0.38 0.45 -0.00 0.00 0.00 178.16 178.28 2gdd h HIS 173 N 0.00 0.00 -3.03 4.88 3.86 -0.88 -3.43 115.15 116.56 2gdd h HIS 173 Ca -0.00 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 2gdd h HIS 173 Cb 0.12 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 2gdd h HIS 173 CO 0.00 0.00 0.73 -0.51 0.86 0.00 0.00 177.93 179.01 2gdd s LEU 173 N -4.44 4.31 -0.49 2.43 1.43 -0.23 -2.45 118.68 119.24 2gdd s LEU 173 Ca 0.08 1.99 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 2gdd s LEU 173 Cb 0.13 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.78 2gdd s LEU 173 CO 0.67 -0.62 0.00 0.61 0.23 0.00 0.00 176.35 177.24 2gdd n GLY 173 N 3.46 0.38 3.10 -3.19 0.00 -1.26 -5.03 105.19 102.65 2gdd n GLY 173 Ca 0.12 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.24 0.75 -0.72 4.61 0.00 -1.03 -5.03 121.76 118.10 2gdd s ALA 173 Ca 0.00 -0.91 0.26 0.00 0.00 0.00 0.00 51.96 51.31 2gdd s ALA 173 Cb 0.00 0.04 0.70 0.00 0.00 0.00 0.00 23.12 23.86 2gdd s ALA 173 CO 0.00 -0.03 1.66 0.66 0.00 0.00 0.00 175.76 178.06 2gdd n TYR 173 N 1.17 0.80 -1.76 0.00 4.01 -1.26 -4.87 117.16 115.24 2gdd n TYR 173 Ca -0.21 0.23 -0.42 0.00 -0.16 0.00 0.00 57.90 57.35 2gdd n TYR 173 Cb 0.56 -0.85 -0.03 0.00 -0.31 0.00 0.00 39.34 38.71 2gdd n TYR 173 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2gdd s THR 173 N -3.11 2.29 0.00 -0.72 2.01 -1.26 -5.17 115.64 109.68 2gdd s THR 173 Ca 0.10 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.20 2gdd s THR 173 Cb 0.13 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.57 2gdd s THR 173 CO 0.63 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.17 2gdd n GLY 173 N 4.03 -2.61 0.06 4.40 0.00 -1.26 -4.92 105.19 104.89 2gdd n GLY 173 Ca 0.16 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.51 1.61 9.92 -1.26 -4.70 116.55 117.61 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 -0.07 0.00 -0.64 0.00 0.00 41.12 40.41 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 4.81 0.05 2.53 1.01 -1.26 -5.00 120.40 122.55 2gdd s VAL 173 Ca 0.00 0.08 -0.31 0.00 0.00 0.00 0.00 61.98 61.75 2gdd s VAL 173 Cb 0.00 -4.23 -0.06 0.00 0.00 0.00 0.00 36.38 32.09 2gdd s VAL 173 CO 0.00 -0.63 1.27 -0.60 0.00 0.00 0.00 175.10 175.14 2gdd s ARG 174 N 2.85 4.38 -0.16 2.72 3.52 -1.26 -4.95 118.95 126.05 2gdd s ARG 174 Ca 0.22 1.86 -0.14 0.00 -0.13 0.00 0.00 55.73 57.54 2gdd s ARG 174 Cb -0.14 -3.37 -0.05 0.00 -1.56 0.00 0.00 34.95 29.83 2gdd s ARG 174 CO 0.19 -0.36 -0.27 -0.89 -0.81 0.00 0.00 175.30 173.16 2gdd n ILE 175 N 4.09 1.44 -2.53 4.11 5.41 -1.26 -4.75 119.36 125.88 2gdd n ILE 175 Ca 0.10 0.18 -0.42 0.00 1.00 0.00 0.00 62.75 63.61 2gdd n ILE 175 Cb 0.45 -2.36 -0.03 0.00 -0.71 0.00 0.00 39.64 37.00 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 -2.60 3.92 0.70 1.39 1.01 -1.26 -5.00 120.40 118.57 2gdd s VAL 176 Ca -0.23 0.79 -0.11 0.00 0.00 0.00 0.00 61.98 62.43 2gdd s VAL 176 Cb 0.03 -4.68 0.01 0.00 0.00 0.00 0.00 36.38 31.75 2gdd s VAL 176 CO 0.33 -1.36 1.09 -0.13 0.00 0.00 0.00 175.10 175.04 2gdd s ARG 177 N 5.19 2.88 0.33 2.72 0.52 -1.26 -4.88 118.95 124.45 2gdd s ARG 177 Ca 0.44 0.52 0.01 0.00 -0.52 0.00 0.00 55.73 56.18 2gdd s ARG 177 Cb -0.08 -2.02 0.56 0.00 0.52 0.00 0.00 34.95 33.93 2gdd s ARG 177 CO 0.24 -1.03 1.97 -0.44 0.02 0.00 0.00 175.30 176.06 2gdd h ASP 178 N -0.66 0.78 0.00 0.23 3.32 -1.98 -0.78 116.42 117.33 2gdd h ASP 178 Ca -0.45 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2gdd h ASP 178 Cb 1.25 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.60 2gdd h ASP 178 CO 0.63 0.60 0.00 -0.90 -1.72 0.00 0.00 179.24 177.85 2gdd n ASP 179 N -4.41 0.25 -4.55 6.45 5.75 -1.26 -4.78 116.55 114.00 2gdd n ASP 179 Ca 0.07 -1.68 -0.24 0.00 -0.01 0.00 0.00 54.79 52.93 2gdd n ASP 179 Cb 0.07 -0.12 -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 -1.71 1.93 0.07 0.11 -1.94 -0.30 -0.65 119.30 116.82 2gdd s MET 180 Ca 0.00 -1.66 0.05 0.00 -1.71 0.00 0.00 55.69 52.37 2gdd s MET 180 Cb 0.00 -1.91 -0.03 0.00 2.01 0.00 0.00 34.83 34.90 2gdd s MET 180 CO 0.00 0.32 -0.13 -1.17 -0.01 0.00 0.00 175.02 174.03 2gdd s LEU 181 N -3.59 2.30 -0.03 -0.03 0.20 0.40 -4.61 118.68 113.32 2gdd s LEU 181 Ca 0.31 -0.65 0.04 0.00 0.69 0.00 0.00 54.13 54.53 2gdd s LEU 181 Cb -0.05 -0.45 -0.01 0.00 -0.43 0.00 0.00 46.19 45.26 2gdd s LEU 181 CO 0.17 -0.12 -0.17 0.00 -0.29 0.00 0.00 176.35 175.94 2gdd s ALA 183 N -0.09 -1.31 0.00 0.00 0.00 -0.70 -2.28 121.76 117.38 2gdd s ALA 183 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.02 2gdd s ALA 183 Cb -0.10 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.89 2gdd s ALA 183 CO 0.01 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.33 2gdd n GLY 184 N -0.39 0.84 0.00 0.00 0.00 -0.36 -1.19 105.19 104.09 2gdd n GLY 184 Ca -0.11 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.54 0.00 0.00 1.61 2.04 0.34 -4.59 115.26 114.12 2gdd n ASN 185 Ca 0.00 -0.20 0.07 0.00 -0.44 0.00 0.00 54.58 54.01 2gdd n ASN 185 Cb 0.00 0.00 0.36 0.00 -2.53 0.00 0.00 39.78 37.61 2gdd n ASN 185 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 2gdd n THR 186 N 0.00 0.74 0.00 5.53 -2.24 -1.26 -3.05 114.28 113.99 2gdd n THR 186 Ca 0.00 0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 2gdd n THR 186 Cb 0.00 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.30 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 -1.38 2.45 -4.00 -0.78 1.74 -1.26 -4.79 116.66 108.65 2gdd n ARG 187 Ca 0.06 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.89 2gdd n ARG 187 Cb 0.14 -0.81 -0.17 0.00 -1.02 0.00 0.00 32.46 30.60 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 -1.60 1.19 0.03 5.56 0.52 -1.17 -3.58 118.95 119.90 2gdd s ARG 188 Ca 0.00 -0.15 -0.29 0.00 -0.52 0.00 0.00 55.73 54.77 2gdd s ARG 188 Cb 0.00 -1.28 0.11 0.00 0.52 0.00 0.00 34.95 34.30 2gdd s ARG 188 CO 0.00 -0.21 1.21 0.34 0.02 0.00 0.00 175.30 176.66 2gdd s ASP 189 N 1.52 -0.09 0.22 0.23 2.15 -0.88 -0.50 116.67 119.32 2gdd s ASP 189 Ca -0.00 -0.20 0.05 0.00 0.43 0.00 0.00 52.55 52.82 2gdd s ASP 189 Cb -0.13 0.24 -0.03 0.00 -0.30 0.00 0.00 42.92 42.70 2gdd s ASP 189 CO -0.05 -0.45 0.33 -0.94 -0.17 0.00 0.00 175.17 173.90 2gdd s SER 190 N -2.97 6.28 0.30 -0.34 1.04 -1.26 0.37 113.70 117.12 2gdd s SER 190 Ca 0.14 0.08 0.06 0.00 0.48 0.00 0.00 55.95 56.71 2gdd s SER 190 Cb 0.03 -1.85 -0.02 0.00 0.10 0.00 0.00 66.02 64.28 2gdd s SER 190 CO -0.02 -0.04 0.28 0.00 0.98 0.00 0.00 173.24 174.43 2gdd n GLN 192 N -0.58 0.74 0.00 0.00 3.00 -1.26 -0.68 117.38 118.60 2gdd n GLN 192 Ca 0.07 0.27 0.00 0.00 -0.01 0.00 0.00 57.00 57.32 2gdd n GLN 192 Cb 0.55 -1.86 0.00 0.00 0.00 0.00 0.00 30.24 28.93 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 2.29 2.67 0.12 1.08 0.00 -1.26 -0.51 105.19 109.58 2gdd n GLY 193 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.34 2gdd n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2gdd h ASP 194 N 0.30 0.00 -1.24 1.61 3.32 -1.23 -3.32 116.42 115.86 2gdd h ASP 194 Ca 0.00 -0.06 -0.69 0.00 0.02 0.00 0.00 57.03 56.30 2gdd h ASP 194 Cb 0.00 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.64 2gdd h ASP 194 CO 0.00 0.03 -0.25 -1.20 -1.72 0.00 0.00 179.24 176.10 2gdd n SER 195 N -2.47 -0.46 0.00 6.45 7.64 -1.26 -0.77 113.62 122.75 2gdd n SER 195 Ca 0.04 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.06 2gdd n SER 195 Cb 0.47 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 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 1.82 2.80 3.68 0.23 0.00 0.24 0.16 105.19 114.11 2gdd n GLY 196 Ca 0.17 0.00 -0.30 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 -1.95 1.61 0.17 -0.02 0.00 0.05 -3.13 107.32 104.05 2gdd s GLY 197 Ca 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 44.72 43.88 2gdd s GLY 197 CO 0.00 -0.08 0.27 2.56 0.00 0.00 0.00 173.10 175.86 2gdd s PRO 198 N -5.42 3.34 -0.25 2.90 0.04 -1.26 -1.73 135.00 132.63 2gdd s PRO 198 Ca 0.70 -0.69 0.02 0.00 0.04 0.00 0.00 61.00 61.07 2gdd s PRO 198 Cb -0.10 -2.89 0.06 0.00 0.04 0.00 0.00 34.50 31.61 2gdd s PRO 198 CO 0.55 0.49 -0.08 -1.17 0.04 0.00 0.00 177.00 176.83 2gdd s LEU 199 N -3.39 2.99 0.05 -3.56 2.96 -0.44 -3.32 118.68 113.96 2gdd s LEU 199 Ca 0.34 -1.28 0.07 0.00 -0.22 0.00 0.00 54.13 53.04 2gdd s LEU 199 Cb -0.10 -1.36 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 2gdd s LEU 199 CO 0.28 -0.21 -0.17 0.68 -1.32 0.00 0.00 176.35 175.61 2gdd s VAL 200 N 1.25 2.89 -0.02 1.68 -7.23 -0.02 -0.27 120.40 118.68 2gdd s VAL 200 Ca -0.07 -1.19 0.04 0.00 -1.81 0.00 0.00 61.98 58.95 2gdd s VAL 200 Cb -0.19 -2.24 -0.01 0.00 0.56 0.00 0.00 36.38 34.50 2gdd s VAL 200 CO -0.06 0.31 -0.15 0.00 -0.31 0.00 0.00 175.10 174.89 2gdd s LYS 202 N -0.16 3.98 0.00 0.00 2.36 -1.26 -1.36 119.74 123.30 2gdd s LYS 202 Ca 0.02 0.72 0.00 0.00 -2.55 0.00 0.00 55.97 54.16 2gdd s LYS 202 Cb -0.08 -3.74 0.00 0.00 -1.05 0.00 0.00 37.83 32.96 2gdd s LYS 202 CO 0.00 -0.77 0.00 0.28 1.55 0.00 0.00 175.35 176.41 2gdd n VAL 203 N 5.67 0.00 -2.61 4.02 0.31 -0.38 -4.81 118.33 120.53 2gdd n VAL 203 Ca 0.06 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.98 2gdd n VAL 203 Cb 0.48 -0.38 0.02 0.00 -0.91 0.00 0.00 33.84 33.04 2gdd n VAL 203 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2gdd n ASN 204 N 0.00 7.31 0.00 4.52 3.02 -1.26 -4.64 115.26 124.21 2gdd n ASN 204 Ca 0.00 -3.60 0.00 0.00 -0.03 0.00 0.00 54.58 50.95 2gdd n ASN 204 Cb 0.00 -1.20 0.00 0.00 -0.61 0.00 0.00 39.78 37.97 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 0.30 2.58 3.58 7.41 0.00 -1.26 -4.98 105.19 112.81 2gdd n GLY 205 Ca 0.46 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.80 3.64 -0.08 2.61 2.01 -1.26 -5.09 115.64 114.67 2gdd s THR 206 Ca 0.00 -0.57 -0.24 0.00 0.31 0.00 0.00 61.69 61.19 2gdd s THR 206 Cb 0.00 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.97 2gdd s THR 206 CO 0.00 0.55 0.75 0.26 -0.69 0.00 0.00 174.62 175.48 2gdd s TRP 207 N -0.85 3.55 -0.05 4.92 0.52 -1.26 -1.25 118.94 124.52 2gdd s TRP 207 Ca 0.13 1.28 0.05 0.00 0.02 0.00 0.00 56.10 57.59 2gdd s TRP 207 Cb -0.11 -2.87 -0.01 0.00 -1.15 0.00 0.00 33.47 29.34 2gdd s TRP 207 CO 0.03 0.02 -0.20 -0.51 0.02 0.00 0.00 176.95 176.31 2gdd s LEU 208 N 1.06 1.96 -0.49 2.99 1.43 -0.46 -3.71 118.68 121.47 2gdd s LEU 208 Ca 0.39 -0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 52.80 2gdd s LEU 208 Cb -0.18 -1.10 0.03 0.00 0.03 0.00 0.00 46.19 44.98 2gdd s LEU 208 CO 0.18 0.18 1.14 -1.58 0.23 0.00 0.00 176.35 176.50 2gdd s GLN 209 N -0.01 3.69 0.04 1.70 0.74 -0.69 -1.25 119.66 123.88 2gdd s GLN 209 Ca -0.04 0.51 -0.03 0.00 0.05 0.00 0.00 55.36 55.86 2gdd s GLN 209 Cb -0.12 -3.92 -0.27 0.00 1.10 0.00 0.00 33.01 29.79 2gdd s GLN 209 CO 0.03 -1.41 1.01 0.00 -0.55 0.00 0.00 175.29 174.37 2gdd h ALA 210 N 9.27 0.21 -2.94 1.58 0.00 -0.99 -3.39 119.26 123.00 2gdd h ALA 210 Ca -0.23 -1.00 -0.07 0.00 0.00 0.00 0.00 54.91 53.61 2gdd h ALA 210 Cb 1.06 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 2gdd h ALA 210 CO 1.13 1.08 0.05 0.20 0.00 0.00 0.00 179.25 181.72 2gdd s GLY 211 N -4.80 0.59 -0.11 0.00 0.00 -1.01 -1.92 107.32 100.06 2gdd s GLY 211 Ca -0.06 -0.88 0.03 0.00 0.00 0.00 0.00 44.72 43.81 2gdd s GLY 211 CO 0.87 -0.51 -0.21 0.14 0.00 0.00 0.00 173.10 173.38 2gdd s VAL 212 N -3.24 1.93 -0.10 1.40 1.01 -0.76 -1.33 120.40 119.30 2gdd s VAL 212 Ca 0.20 -0.92 -0.35 0.00 0.00 0.00 0.00 61.98 60.91 2gdd s VAL 212 Cb -0.03 -1.69 -0.12 0.00 0.00 0.00 0.00 36.38 34.54 2gdd s VAL 212 CO 0.12 0.53 1.86 0.52 0.00 0.00 0.00 175.10 178.13 2gdd n VAL 213 N 3.81 0.53 0.01 2.92 0.31 -0.70 -0.66 118.33 124.55 2gdd n VAL 213 Ca -0.20 -0.10 -0.01 0.00 -0.01 0.00 0.00 64.34 64.03 2gdd n VAL 213 Cb 0.52 -1.79 -0.00 0.00 -0.91 0.00 0.00 33.84 31.66 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 6.41 0.66 -2.20 4.52 2.88 -1.01 -0.59 113.62 124.28 2gdd n SER 214 Ca 0.23 0.09 -0.05 0.00 -1.33 0.00 0.00 58.87 57.81 2gdd n SER 214 Cb 0.28 -0.25 0.02 0.00 -0.75 0.00 0.00 64.21 63.50 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 -3.11 -1.82 0.00 0.66 4.27 -0.91 -4.92 117.44 111.61 2gdd n TRP 215 Ca -0.01 -1.18 0.00 0.00 -3.89 0.00 0.00 57.50 52.42 2gdd n TRP 215 Cb 0.05 0.59 0.00 0.00 -1.36 0.00 0.00 31.31 30.59 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 -0.36 2.26 3.54 -1.67 0.00 -1.26 -1.07 105.19 106.64 2gdd n GLY 216 Ca -0.05 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 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 3.21 2.47 1.61 2.12 -1.26 -4.82 118.70 120.03 2gdd s GLU 217 Ca 0.00 -0.35 0.00 0.00 0.36 0.00 0.00 54.97 54.98 2gdd s GLU 217 Cb 0.00 -4.27 0.00 0.00 0.26 0.00 0.00 34.13 30.12 2gdd s GLU 217 CO 0.00 -2.13 0.00 0.41 -0.54 0.00 0.00 175.26 173.00 2gdd n GLY 219 N 5.48 -0.42 2.97 -1.50 0.00 -1.26 -4.62 105.19 105.85 2gdd n GLY 219 Ca 0.05 -1.10 -0.21 0.00 0.00 0.00 0.00 46.02 44.77 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 3.59 -1.33 -2.78 0.00 0.00 -1.26 -4.74 120.51 113.99 2gdd n ALA 221 Ca -0.21 0.07 -0.31 0.00 0.00 0.00 0.00 53.44 52.99 2gdd n ALA 221 Cb 0.53 -3.80 -0.04 0.00 0.00 0.00 0.00 19.45 16.13 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 -6.75 3.54 0.09 0.00 -1.52 -1.26 -4.40 119.66 109.36 2gdd s GLN 221 Ca 0.65 -0.25 -0.35 0.00 -1.95 0.00 0.00 55.36 53.45 2gdd s GLN 221 Cb -0.34 -2.93 -0.15 0.00 -0.22 0.00 0.00 33.01 29.37 2gdd s GLN 221 CO 0.88 0.52 1.52 -2.30 -0.25 0.00 0.00 175.29 175.66 2gdd n PRO 222 N 0.12 1.74 -2.28 2.91 -0.02 -1.26 -1.81 135.00 134.39 2gdd n PRO 222 Ca -0.04 0.63 -0.18 0.00 -2.02 0.00 0.00 63.50 61.89 2gdd n PRO 222 Cb 0.52 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 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 3.42 -5.18 -3.14 2.55 5.03 -1.26 -4.90 115.26 111.79 2gdd n ASN 223 Ca 0.18 0.11 -0.21 0.00 0.87 0.00 0.00 54.58 55.54 2gdd n ASN 223 Cb 0.24 -4.38 -0.05 0.00 -1.02 0.00 0.00 39.78 34.58 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 -2.83 0.78 -1.09 3.52 5.12 -0.75 -3.69 116.66 117.72 2gdd n ARG 224 Ca -0.21 -3.09 -0.31 0.00 -1.93 0.00 0.00 57.85 52.31 2gdd n ARG 224 Cb 0.65 -1.34 0.12 0.00 -1.16 0.00 0.00 32.46 30.74 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 -1.25 1.66 0.47 5.56 0.04 -1.26 -4.16 135.00 136.06 2gdd s PRO 225 Ca 0.35 1.19 -0.23 0.00 0.04 0.00 0.00 61.00 62.36 2gdd s PRO 225 Cb 0.22 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.86 2gdd s PRO 225 CO -0.11 -2.07 1.20 0.20 0.04 0.00 0.00 177.00 176.26 2gdd s GLY 226 N -3.19 2.80 -0.09 0.56 0.00 -0.33 -4.76 107.32 102.31 2gdd s GLY 226 Ca 0.63 1.00 0.02 0.00 0.00 0.00 0.00 44.72 46.37 2gdd s GLY 226 CO 0.57 1.47 -0.16 -0.42 0.00 0.00 0.00 173.10 174.56 2gdd s ILE 227 N -1.49 2.84 0.12 0.90 -1.09 -0.23 -1.72 121.20 120.52 2gdd s ILE 227 Ca 0.64 -0.76 0.08 0.00 -2.23 0.00 0.00 60.65 58.38 2gdd s ILE 227 Cb -0.31 -2.14 -0.04 0.00 -1.58 0.00 0.00 42.46 38.39 2gdd s ILE 227 CO 0.37 0.55 -0.20 -0.31 -1.23 0.00 0.00 174.94 174.13 2gdd s TYR 228 N -0.05 1.75 0.07 3.97 1.51 0.27 -2.14 117.35 122.73 2gdd s TYR 228 Ca -0.04 -0.44 -0.31 0.00 -1.01 0.00 0.00 57.07 55.28 2gdd s TYR 228 Cb -0.14 -0.93 -0.06 0.00 -0.11 0.00 0.00 41.96 40.72 2gdd s TYR 228 CO 0.04 0.23 1.23 0.99 -1.11 0.00 0.00 175.55 176.93 2gdd s THR 229 N -1.45 3.92 -0.49 -0.71 2.01 0.16 0.15 115.64 119.23 2gdd s THR 229 Ca 0.09 1.37 -0.28 0.00 0.31 0.00 0.00 61.69 63.17 2gdd s THR 229 Cb -0.09 -3.88 0.02 0.00 0.01 0.00 0.00 72.50 68.56 2gdd s THR 229 CO 0.05 0.10 1.34 -0.60 -0.69 0.00 0.00 174.62 174.82 2gdd s ARG 230 N 1.09 3.50 0.19 4.92 3.52 0.18 -1.82 118.95 130.53 2gdd s ARG 230 Ca 0.60 0.62 -0.12 0.00 -0.13 0.00 0.00 55.73 56.70 2gdd s ARG 230 Cb -0.31 -4.04 0.18 0.00 -1.56 0.00 0.00 34.95 29.23 2gdd s ARG 230 CO 0.29 -1.68 1.78 0.28 -0.81 0.00 0.00 175.30 175.17 2gdd h VAL 231 N 6.36 0.93 -0.64 7.11 2.07 -1.68 -2.29 116.25 128.12 2gdd h VAL 231 Ca -0.26 -0.18 0.19 0.00 0.82 0.00 0.00 66.70 67.26 2gdd h VAL 231 Cb 1.09 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 2gdd h VAL 231 CO 1.14 0.10 0.47 0.71 0.02 0.00 0.00 177.57 180.00 2gdd h THR 232 N 0.53 0.65 0.00 2.57 1.35 -1.88 -0.31 112.91 115.83 2gdd h THR 232 Ca 0.25 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 66.08 2gdd h THR 232 Cb 0.18 0.67 -0.01 0.00 -1.73 0.00 0.00 68.15 67.26 2gdd h THR 232 CO -0.18 0.00 -0.17 0.22 -0.25 0.00 0.00 175.52 175.14 2gdd h TYR 233 N 0.00 0.00 -0.14 4.73 5.03 -1.77 -3.20 116.97 121.61 2gdd h TYR 233 Ca 0.30 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.61 2gdd h TYR 233 Cb 1.24 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.52 2gdd h TYR 233 CO 0.00 0.17 0.00 0.66 -1.32 0.00 0.00 178.16 177.67 2gdd n TYR 234 N -3.45 0.33 -0.14 -3.82 4.01 -0.14 -4.76 117.16 109.19 2gdd n TYR 234 Ca -0.01 -0.71 -0.04 0.00 -0.16 0.00 0.00 57.90 56.98 2gdd n TYR 234 Cb 0.35 -0.13 0.03 0.00 -0.31 0.00 0.00 39.34 39.27 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 0.91 -0.47 -0.72 7.72 3.38 -1.52 -1.55 115.31 123.06 2gdd h LEU 235 Ca 0.00 0.14 0.10 0.00 0.09 0.00 0.00 57.88 58.22 2gdd h LEU 235 Cb 0.90 0.30 -0.08 0.00 0.09 0.00 0.00 40.66 41.88 2gdd h LEU 235 CO 0.05 -0.17 0.34 0.44 0.09 0.00 0.00 178.44 179.20 2gdd h ASP 236 N -0.02 0.42 -0.06 -0.43 3.32 -1.86 -1.27 116.42 116.52 2gdd h ASP 236 Ca 0.22 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.34 2gdd h ASP 236 Cb 0.36 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 2gdd h ASP 236 CO -0.49 0.23 0.03 -0.25 -1.72 0.00 0.00 179.24 177.04 2gdd h TRP 237 N 0.57 0.08 -0.52 4.55 7.01 -1.67 -2.85 115.95 123.12 2gdd h TRP 237 Ca 0.36 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.43 2gdd h TRP 237 Cb 0.42 -0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.39 2gdd h TRP 237 CO -0.12 0.13 0.18 0.82 -2.79 0.00 0.00 178.44 176.65 2gdd h ILE 238 N 0.01 0.81 0.00 2.65 2.04 -0.70 -0.79 117.51 121.53 2gdd h ILE 238 Ca 0.02 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2gdd h ILE 238 Cb 0.07 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2gdd h ILE 238 CO -0.00 0.06 0.00 1.41 0.00 0.00 0.00 178.15 179.62 2gdd n HIS 239 N -5.01 0.00 0.71 1.37 8.25 -0.54 -0.57 115.22 119.43 2gdd n HIS 239 Ca 0.06 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.64 2gdd n HIS 239 Cb 0.22 -0.38 0.48 0.00 1.12 0.00 0.00 29.99 31.43 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 -1.38 0.31 0.00 4.41 8.25 -0.30 -4.22 115.22 122.29 2gdd n HIS 240 Ca 0.04 0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 2gdd n HIS 240 Cb 0.11 -0.67 0.00 0.00 1.12 0.00 0.00 29.99 30.55 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 -1.77 0.00 -3.50 4.41 4.01 -0.14 -5.05 117.16 115.13 2gdd n TYR 241 Ca 0.05 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.42 2gdd n TYR 241 Cb 0.30 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 -1.73 5.26 0.66 -0.72 1.01 0.26 -5.06 120.40 120.08 2gdd s VAL 242 Ca 0.00 0.49 -0.17 0.00 0.00 0.00 0.00 61.98 62.29 2gdd s VAL 242 Cb 0.00 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 2gdd s VAL 242 CO 0.00 0.28 0.83 -2.65 0.00 0.00 0.00 175.10 173.56 2gdd n PRO 243 N 4.46 0.61 0.00 2.72 -0.02 -1.26 -4.35 135.00 137.16 2gdd n PRO 243 Ca -0.11 0.25 0.16 0.00 -2.02 0.00 0.00 63.50 61.78 2gdd n PRO 243 Cb 0.51 -2.06 0.94 0.00 -0.02 0.00 0.00 33.50 32.88 2gdd n PRO 243 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11