#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gk3 s LYS 4 N 0.00 2.78 0.03 0.00 2.20 -1.26 -5.09 119.74 118.40 3gk3 s LYS 4 Ca 0.00 -0.54 -0.30 0.00 -0.36 0.00 0.00 55.97 54.76 3gk3 s LYS 4 Cb 0.00 -2.64 -0.06 0.00 -1.51 0.00 0.00 37.83 33.62 3gk3 s LYS 4 CO 0.00 0.66 1.41 0.50 -0.36 0.00 0.00 175.35 177.56 3gk3 s ARG 5 N -1.00 4.29 -0.22 4.03 3.52 -1.26 -4.83 118.95 123.48 3gk3 s ARG 5 Ca 0.14 2.01 -0.05 0.00 -0.13 0.00 0.00 55.73 57.70 3gk3 s ARG 5 Cb -0.11 -3.51 -0.02 0.00 -1.56 0.00 0.00 34.95 29.75 3gk3 s ARG 5 CO 0.04 -0.55 -0.01 0.08 -0.81 0.00 0.00 175.30 174.05 3gk3 s VAL 6 N 2.13 3.78 -0.12 7.11 1.01 -1.26 0.04 120.40 133.08 3gk3 s VAL 6 Ca 0.65 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 62.25 3gk3 s VAL 6 Cb -0.33 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 3gk3 s VAL 6 CO 0.28 0.41 -0.07 0.00 0.00 0.00 0.00 175.10 175.72 3gk3 s ALA 7 N 1.28 2.92 -0.38 5.51 0.00 -0.32 -0.94 121.76 129.83 3gk3 s ALA 7 Ca 0.04 -0.86 -0.05 0.00 0.00 0.00 0.00 51.96 51.09 3gk3 s ALA 7 Cb -0.15 -1.37 0.08 0.00 0.00 0.00 0.00 23.12 21.69 3gk3 s ALA 7 CO 0.00 0.36 0.18 0.12 0.00 0.00 0.00 175.76 176.42 3gk3 s PHE 8 N -0.08 3.41 -0.60 0.00 5.36 0.48 -0.48 117.98 126.06 3gk3 s PHE 8 Ca 0.01 -1.91 -0.15 0.00 -0.96 0.00 0.00 56.93 53.92 3gk3 s PHE 8 Cb -0.13 -2.83 0.15 0.00 -0.34 0.00 0.00 43.02 39.87 3gk3 s PHE 8 CO 0.03 -0.88 0.55 0.08 -1.46 0.00 0.00 175.22 173.54 3gk3 s VAL 9 N 1.29 5.20 0.38 3.12 1.01 -0.51 -1.69 120.40 129.20 3gk3 s VAL 9 Ca 0.03 -1.77 -0.26 0.00 0.00 0.00 0.00 61.98 59.97 3gk3 s VAL 9 Cb -0.22 -4.31 -0.11 0.00 0.00 0.00 0.00 36.38 31.74 3gk3 s VAL 9 CO -0.01 -0.90 1.20 0.35 0.00 0.00 0.00 175.10 175.74 3gk3 n THR 10 N 4.90 2.31 -2.26 3.92 -2.24 -0.68 -1.63 114.28 118.60 3gk3 n THR 10 Ca -0.07 -0.50 -0.17 0.00 -2.27 0.00 0.00 64.05 61.04 3gk3 n THR 10 Cb 0.42 -1.43 -0.01 0.00 -2.10 0.00 0.00 70.33 67.20 3gk3 n THR 10 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gk3 n GLY 11 N 0.91 -0.19 0.00 3.38 0.00 -1.09 -2.95 105.19 105.25 3gk3 n GLY 11 Ca 0.07 -0.18 0.05 0.00 0.00 0.00 0.00 46.02 45.96 3gk3 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gk3 n GLY 12 N -1.01 -0.73 0.50 -0.02 0.00 -0.64 -1.58 105.19 101.70 3gk3 n GLY 12 Ca -0.20 -0.04 0.06 0.00 0.00 0.00 0.00 46.02 45.84 3gk3 n GLY 12 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3gk3 n MET 13 N -1.40 0.86 -1.80 1.61 2.81 -1.26 -1.78 117.12 116.16 3gk3 n MET 13 Ca 0.03 -1.29 -0.30 0.00 -1.81 0.00 0.00 57.70 54.33 3gk3 n MET 13 Cb 0.10 -1.23 0.19 0.00 -0.71 0.00 0.00 33.22 31.56 3gk3 n MET 13 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3gk3 s GLY 14 N -0.99 1.74 0.08 3.03 0.00 -0.62 -4.42 107.32 106.14 3gk3 s GLY 14 Ca 0.15 -1.12 -0.25 0.00 0.00 0.00 0.00 44.72 43.50 3gk3 s GLY 14 CO 0.15 -0.35 1.40 -1.33 0.00 0.00 0.00 173.10 172.96 3gk3 h GLY 15 N -1.74 -1.21 0.90 0.20 0.00 -1.94 1.01 103.07 100.29 3gk3 h GLY 15 Ca -0.45 0.66 -0.08 0.00 0.00 0.00 0.00 47.33 47.46 3gk3 h GLY 15 CO 0.40 -0.31 -0.15 -2.00 0.00 0.00 0.00 176.54 174.47 3gk3 h LEU 16 N -0.46 0.62 -0.60 3.11 5.85 -1.93 -2.85 115.31 119.04 3gk3 h LEU 16 Ca 0.01 -0.42 0.10 0.00 0.84 0.00 0.00 57.88 58.41 3gk3 h LEU 16 Cb 0.51 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.29 3gk3 h LEU 16 CO -0.28 0.90 0.20 1.23 -0.34 0.00 0.00 178.44 180.16 3gk3 h GLY 17 N 0.34 0.83 0.87 3.75 0.00 -1.63 0.10 103.07 107.33 3gk3 h GLY 17 Ca 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 3gk3 h GLY 17 CO 0.04 -0.04 -0.26 0.00 0.00 0.00 0.00 176.54 176.29 3gk3 h ALA 18 N 1.43 -0.63 -0.83 3.60 0.00 0.19 0.66 119.26 123.68 3gk3 h ALA 18 Ca 0.31 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.21 3gk3 h ALA 18 Cb 0.40 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 3gk3 h ALA 18 CO -0.32 -0.87 0.46 0.00 0.00 0.00 0.00 179.25 178.52 3gk3 h ALA 19 N -0.07 1.21 -0.14 0.00 0.00 -1.25 -1.65 119.26 117.36 3gk3 h ALA 19 Ca -0.04 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3gk3 h ALA 19 Cb 0.52 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3gk3 h ALA 19 CO 0.03 0.03 0.03 0.82 0.00 0.00 0.00 179.25 180.16 3gk3 h ILE 20 N 0.73 1.21 -0.68 0.00 2.04 -0.48 -2.91 117.51 117.43 3gk3 h ILE 20 Ca 0.42 -0.68 0.02 0.00 1.00 0.00 0.00 64.86 65.62 3gk3 h ILE 20 Cb 0.47 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 3gk3 h ILE 20 CO -0.29 0.20 0.45 0.28 0.00 0.00 0.00 178.15 178.79 3gk3 h SER 21 N 0.02 0.74 0.12 1.72 0.02 -0.33 -1.30 113.55 114.55 3gk3 h SER 21 Ca 0.04 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.86 3gk3 h SER 21 Cb 0.29 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 3gk3 h SER 21 CO 0.00 0.53 -0.42 0.03 -1.14 0.00 0.00 176.83 175.83 3gk3 h ARG 22 N 0.87 0.38 0.12 3.45 3.08 -1.20 -1.79 114.38 119.30 3gk3 h ARG 22 Ca 0.26 -0.19 -0.29 0.00 0.07 0.00 0.00 59.98 59.82 3gk3 h ARG 22 Cb -0.03 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.04 3gk3 h ARG 22 CO -0.06 0.74 -1.23 0.00 -1.07 0.00 0.00 179.97 178.34 3gk3 h ARG 23 N 0.32 0.55 -0.09 0.04 2.47 -1.21 -1.76 114.38 114.70 3gk3 h ARG 23 Ca 0.03 -0.75 -0.10 0.00 -1.26 0.00 0.00 59.98 57.89 3gk3 h ARG 23 Cb 0.87 0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 29.43 3gk3 h ARG 23 CO 0.07 1.34 -0.39 -0.07 0.56 0.00 0.00 179.97 181.48 3gk3 h LEU 24 N 0.24 0.19 0.10 3.04 3.38 -1.21 -1.79 115.31 119.26 3gk3 h LEU 24 Ca -0.18 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 3gk3 h LEU 24 Cb 1.91 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.61 3gk3 h LEU 24 CO 0.23 0.57 -0.05 -0.74 0.09 0.00 0.00 178.44 178.54 3gk3 h HIS 25 N 0.16 -0.12 0.00 1.13 2.76 -1.29 -1.91 115.15 115.88 3gk3 h HIS 25 Ca 0.02 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3gk3 h HIS 25 Cb 0.77 0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.77 3gk3 h HIS 25 CO 0.01 0.22 0.00 -0.44 -1.30 0.00 0.00 177.93 176.42 3gk3 h ASP 26 N -0.47 0.00 -0.06 3.26 3.32 -1.20 -0.28 116.42 120.98 3gk3 h ASP 26 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3gk3 h ASP 26 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3gk3 h ASP 26 CO 0.02 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.54 3gk3 n ALA 27 N -1.89 2.55 -0.64 3.45 0.00 -0.68 -4.92 120.51 118.38 3gk3 n ALA 27 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3gk3 n ALA 27 Cb 0.20 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3gk3 n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gk3 n GLY 28 N 0.78 0.61 3.85 0.00 0.00 -0.13 -5.06 105.19 105.24 3gk3 n GLY 28 Ca 0.10 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 3gk3 n GLY 28 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gk3 s MET 29 N -1.23 3.28 -0.36 1.61 -1.94 -0.73 -4.32 119.30 115.60 3gk3 s MET 29 Ca 0.00 -0.40 -0.21 0.00 -1.71 0.00 0.00 55.69 53.37 3gk3 s MET 29 Cb 0.00 -3.00 0.01 0.00 2.01 0.00 0.00 34.83 33.85 3gk3 s MET 29 CO 0.00 0.66 0.67 0.00 -0.01 0.00 0.00 175.02 176.34 3gk3 s ALA 30 N -1.28 3.44 -0.23 3.03 0.00 0.11 -4.22 121.76 122.60 3gk3 s ALA 30 Ca 0.26 -0.83 -0.07 0.00 0.00 0.00 0.00 51.96 51.32 3gk3 s ALA 30 Cb -0.12 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 3gk3 s ALA 30 CO 0.17 -1.40 0.06 0.08 0.00 0.00 0.00 175.76 174.67 3gk3 s VAL 31 N 2.80 4.35 -0.04 0.00 1.01 -1.26 -1.17 120.40 126.09 3gk3 s VAL 31 Ca 0.26 -0.17 -0.14 0.00 0.00 0.00 0.00 61.98 61.93 3gk3 s VAL 31 Cb -0.14 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 3gk3 s VAL 31 CO 0.16 0.37 0.38 0.00 0.00 0.00 0.00 175.10 176.01 3gk3 s ALA 32 N 1.28 3.67 -0.16 5.51 0.00 0.37 -3.01 121.76 129.43 3gk3 s ALA 32 Ca 0.05 -0.27 -0.00 0.00 0.00 0.00 0.00 51.96 51.73 3gk3 s ALA 32 Cb -0.15 -2.39 -0.01 0.00 0.00 0.00 0.00 23.12 20.58 3gk3 s ALA 32 CO 0.03 0.38 -0.13 0.14 0.00 0.00 0.00 175.76 176.18 3gk3 s VAL 33 N -0.65 2.89 0.37 0.00 -7.23 0.27 -1.43 120.40 114.63 3gk3 s VAL 33 Ca 0.22 -0.70 -0.12 0.00 -1.81 0.00 0.00 61.98 59.58 3gk3 s VAL 33 Cb -0.16 -2.23 -0.07 0.00 0.56 0.00 0.00 36.38 34.48 3gk3 s VAL 33 CO 0.11 0.51 0.75 -0.94 -0.31 0.00 0.00 175.10 175.22 3gk3 s SER 34 N 0.76 6.60 0.16 4.85 1.04 -0.87 -1.37 113.70 124.87 3gk3 s SER 34 Ca -0.05 1.16 -0.08 0.00 0.48 0.00 0.00 55.95 57.46 3gk3 s SER 34 Cb -0.15 -2.33 -0.01 0.00 0.10 0.00 0.00 66.02 63.63 3gk3 s SER 34 CO 0.01 -0.33 0.26 -1.38 0.98 0.00 0.00 173.24 172.79 3gk3 s HIS 35 N -2.23 0.41 -1.44 5.02 -3.43 0.17 -2.41 115.29 111.38 3gk3 s HIS 35 Ca 0.52 -0.77 0.14 0.00 -0.80 0.00 0.00 55.06 54.14 3gk3 s HIS 35 Cb -0.10 -0.08 0.27 0.00 -1.43 0.00 0.00 32.58 31.24 3gk3 s HIS 35 CO 0.27 -0.70 1.17 0.45 -2.00 0.00 0.00 174.74 173.93 3gk3 n SER 36 N -0.20 2.76 0.00 7.38 2.88 -1.25 0.13 113.62 125.32 3gk3 n SER 36 Ca -0.08 -1.83 0.00 0.00 -1.33 0.00 0.00 58.87 55.64 3gk3 n SER 36 Cb 0.63 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 3gk3 n SER 36 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3gk3 n VAL 42 N 0.80 0.00 -0.25 2.46 0.31 -1.26 -4.81 118.33 115.58 3gk3 n VAL 42 Ca 0.12 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.50 3gk3 n VAL 42 Cb 0.42 0.00 0.16 0.00 -0.91 0.00 0.00 33.84 33.51 3gk3 n VAL 42 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3gk3 h SER 43 N 0.00 -0.31 -0.44 4.52 0.02 -2.03 -0.49 113.55 114.83 3gk3 h SER 43 Ca 0.00 0.19 -0.09 0.00 -0.84 0.00 0.00 61.79 61.05 3gk3 h SER 43 Cb 0.00 0.32 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 3gk3 h SER 43 CO 0.00 -0.16 -0.07 0.74 -1.14 0.00 0.00 176.83 176.20 3gk3 h THR 44 N 0.12 1.27 -0.25 -2.27 2.02 -2.06 -1.46 112.91 110.29 3gk3 h THR 44 Ca 0.41 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.43 3gk3 h THR 44 Cb 0.71 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 3gk3 h THR 44 CO -0.64 0.39 0.16 -0.25 0.37 0.00 0.00 175.52 175.55 3gk3 h TRP 45 N 0.65 0.32 -0.79 3.16 7.01 -1.81 -0.98 115.95 123.51 3gk3 h TRP 45 Ca 0.12 0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.22 3gk3 h TRP 45 Cb 0.59 -0.11 -0.05 0.00 -2.10 0.00 0.00 29.16 27.49 3gk3 h TRP 45 CO 0.05 0.22 0.52 -0.07 -2.79 0.00 0.00 178.44 176.36 3gk3 h LEU 46 N 0.33 0.65 0.26 0.65 4.07 -0.97 -1.58 115.31 118.72 3gk3 h LEU 46 Ca 0.09 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 3gk3 h LEU 46 Cb -0.02 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.61 3gk3 h LEU 46 CO -0.02 0.39 -0.12 -0.03 -1.08 0.00 0.00 178.44 177.57 3gk3 h MET 47 N 0.72 -0.33 -0.02 1.13 4.05 -0.39 -1.45 114.93 118.63 3gk3 h MET 47 Ca 0.36 0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.81 3gk3 h MET 47 Cb 0.45 0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.33 3gk3 h MET 47 CO -0.14 -0.04 0.09 0.45 0.23 0.00 0.00 176.91 177.50 3gk3 h HIS 48 N -0.62 0.00 0.00 1.39 3.86 -0.69 0.12 115.15 119.21 3gk3 h HIS 48 Ca -0.04 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.06 3gk3 h HIS 48 Cb 0.44 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 3gk3 h HIS 48 CO 0.01 0.00 -0.86 1.49 0.86 0.00 0.00 177.93 179.43 3gk3 h GLU 49 N 0.00 0.00 -0.48 2.45 4.57 -1.04 0.11 114.58 120.19 3gk3 h GLU 49 Ca 0.01 0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.29 3gk3 h GLU 49 Cb 0.18 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.68 3gk3 h GLU 49 CO -0.00 0.53 -0.13 0.00 -1.18 0.00 0.00 179.01 178.24 3gk3 h ARG 50 N -1.00 -0.01 -0.57 1.92 -0.00 0.32 0.30 114.38 115.34 3gk3 h ARG 50 Ca -0.18 0.00 0.11 0.00 -0.50 0.00 0.00 59.98 59.42 3gk3 h ARG 50 Cb 0.91 0.00 -0.11 0.00 0.00 0.00 0.00 29.97 30.77 3gk3 h ARG 50 CO -0.11 -0.01 -0.17 0.22 0.00 0.00 0.00 179.97 179.91 3gk3 h ASP 51 N -0.01 -0.62 -0.91 7.04 3.58 -0.86 -0.69 116.42 123.95 3gk3 h ASP 51 Ca 0.23 0.18 0.15 0.00 0.42 0.00 0.00 57.03 58.01 3gk3 h ASP 51 Cb 0.36 0.38 -0.07 0.00 1.72 0.00 0.00 39.33 41.72 3gk3 h ASP 51 CO -0.49 -0.21 0.59 0.00 -2.88 0.00 0.00 179.24 176.24 3gk3 h ALA 52 N 1.49 1.84 0.00 -0.78 0.00 0.22 -3.44 119.26 118.59 3gk3 h ALA 52 Ca 0.27 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3gk3 h ALA 52 Cb 0.45 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3gk3 h ALA 52 CO -0.60 -0.10 0.00 0.41 0.00 0.00 0.00 179.25 178.96 3gk3 n GLY 53 N -1.42 -0.80 3.33 0.00 0.00 -0.17 -5.06 105.19 101.08 3gk3 n GLY 53 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 3gk3 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gk3 s ARG 54 N 0.00 1.28 -0.29 1.61 0.52 -0.08 -4.95 118.95 117.05 3gk3 s ARG 54 Ca 0.00 -1.43 0.02 0.00 -0.52 0.00 0.00 55.73 53.79 3gk3 s ARG 54 Cb 0.00 -1.29 0.07 0.00 0.52 0.00 0.00 34.95 34.24 3gk3 s ARG 54 CO 0.00 0.26 -0.04 0.34 0.02 0.00 0.00 175.30 175.88 3gk3 s ASP 55 N -2.77 4.66 0.05 0.23 2.15 -1.26 -0.48 116.67 119.25 3gk3 s ASP 55 Ca 0.17 -1.53 0.03 0.00 0.43 0.00 0.00 52.55 51.64 3gk3 s ASP 55 Cb -0.05 -1.62 -0.04 0.00 -0.30 0.00 0.00 42.92 40.91 3gk3 s ASP 55 CO 0.07 -0.26 0.01 -0.36 -0.17 0.00 0.00 175.17 174.46 3gk3 s PHE 56 N 1.11 3.06 -0.25 -5.34 0.08 -1.26 -4.63 117.98 110.75 3gk3 s PHE 56 Ca -0.04 0.04 -0.08 0.00 0.12 0.00 0.00 56.93 56.97 3gk3 s PHE 56 Cb -0.20 -1.61 -0.03 0.00 -0.57 0.00 0.00 43.02 40.61 3gk3 s PHE 56 CO -0.04 0.48 0.09 0.15 -0.10 0.00 0.00 175.22 175.80 3gk3 s LYS 57 N -1.98 3.74 0.00 0.44 1.02 -1.16 -4.98 119.74 116.81 3gk3 s LYS 57 Ca 0.23 -0.44 -0.19 0.00 0.02 0.00 0.00 55.97 55.60 3gk3 s LYS 57 Cb -0.12 -3.39 -0.06 0.00 -0.52 0.00 0.00 37.83 33.75 3gk3 s LYS 57 CO 0.15 -0.15 0.54 0.00 -0.92 0.00 0.00 175.35 174.97 3gk3 s ALA 58 N 1.56 3.55 0.02 5.17 0.00 -1.26 -0.56 121.76 130.24 3gk3 s ALA 58 Ca 0.06 -0.04 0.09 0.00 0.00 0.00 0.00 51.96 52.07 3gk3 s ALA 58 Cb -0.15 -2.64 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 3gk3 s ALA 58 CO 0.05 0.25 -0.25 0.71 0.00 0.00 0.00 175.76 176.52 3gk3 s TYR 59 N -0.46 2.24 0.33 0.00 2.02 -0.47 -4.96 117.35 116.06 3gk3 s TYR 59 Ca 0.29 -0.41 -0.26 0.00 -0.37 0.00 0.00 57.07 56.32 3gk3 s TYR 59 Cb -0.18 -1.38 -0.10 0.00 -0.40 0.00 0.00 41.96 39.90 3gk3 s TYR 59 CO 0.16 0.07 0.95 0.00 -1.57 0.00 0.00 175.55 175.15 3gk3 s ALA 60 N -0.73 3.19 0.01 3.71 0.00 -1.26 0.46 121.76 127.15 3gk3 s ALA 60 Ca 0.11 0.52 -0.28 0.00 0.00 0.00 0.00 51.96 52.31 3gk3 s ALA 60 Cb -0.10 -3.18 0.09 0.00 0.00 0.00 0.00 23.12 19.93 3gk3 s ALA 60 CO 0.01 0.17 0.81 0.54 0.00 0.00 0.00 175.76 177.28 3gk3 s VAL 61 N -1.66 0.00 -0.35 0.00 0.11 0.34 -4.80 120.40 114.04 3gk3 s VAL 61 Ca 0.51 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.59 3gk3 s VAL 61 Cb -0.18 -1.00 0.10 0.00 -1.53 0.00 0.00 36.38 33.77 3gk3 s VAL 61 CO 0.23 0.00 0.08 -0.62 -3.33 0.00 0.00 175.10 171.46 3gk3 s ASP 62 N -2.26 4.56 0.12 3.54 2.15 -1.26 -3.81 116.67 119.71 3gk3 s ASP 62 Ca 0.02 -2.16 0.14 0.00 0.43 0.00 0.00 52.55 50.98 3gk3 s ASP 62 Cb -0.01 -1.48 0.65 0.00 -0.30 0.00 0.00 42.92 41.78 3gk3 s ASP 62 CO -0.07 -0.37 1.44 1.33 -0.17 0.00 0.00 175.17 177.33 3gk3 n VAL 63 N 4.23 1.22 0.22 1.11 0.24 -1.26 -0.25 118.33 123.84 3gk3 n VAL 63 Ca 0.03 0.39 0.12 0.00 -2.04 0.00 0.00 64.34 62.84 3gk3 n VAL 63 Cb 0.41 -1.29 0.35 0.00 -1.47 0.00 0.00 33.84 31.84 3gk3 n VAL 63 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gk3 h ALA 64 N 2.23 0.95 -3.22 2.33 0.00 -1.85 -3.28 119.26 116.43 3gk3 h ALA 64 Ca 0.00 -0.12 -0.67 0.00 0.00 0.00 0.00 54.91 54.12 3gk3 h ALA 64 Cb 0.17 -0.02 -0.30 0.00 0.00 0.00 0.00 17.79 17.64 3gk3 h ALA 64 CO 0.00 0.16 -0.71 0.34 0.00 0.00 0.00 179.25 179.04 3gk3 s ASP 65 N -6.10 4.59 0.09 0.00 3.68 0.65 -4.86 116.67 114.71 3gk3 s ASP 65 Ca 0.03 -0.86 -0.36 0.00 2.13 0.00 0.00 52.55 53.49 3gk3 s ASP 65 Cb 0.08 -1.73 -0.17 0.00 -1.45 0.00 0.00 42.92 39.65 3gk3 s ASP 65 CO 0.64 -0.16 1.56 0.15 0.13 0.00 0.00 175.17 177.50 3gk3 h PHE 66 N 8.07 -1.44 -0.89 -5.34 3.57 -1.83 -0.56 116.94 118.53 3gk3 h PHE 66 Ca -0.31 0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.38 3gk3 h PHE 66 Cb 1.11 0.56 -0.17 0.00 2.79 0.00 0.00 35.95 40.24 3gk3 h PHE 66 CO 0.59 -0.68 -0.22 0.93 -2.23 0.00 0.00 178.31 176.70 3gk3 h GLU 67 N -1.00 -0.00 -0.71 1.11 4.39 -1.94 0.39 114.58 116.82 3gk3 h GLU 67 Ca -0.06 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.67 3gk3 h GLU 67 Cb 0.88 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.48 3gk3 h GLU 67 CO -0.08 -0.00 0.44 1.03 -1.16 0.00 0.00 179.01 179.24 3gk3 h SER 68 N -0.00 0.72 0.06 1.42 0.87 -1.67 -0.38 113.55 114.57 3gk3 h SER 68 Ca 0.43 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.99 3gk3 h SER 68 Cb 0.65 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 3gk3 h SER 68 CO -0.92 0.50 -0.03 0.00 -0.53 0.00 0.00 176.83 175.85 3gk3 h GLU 70 N -0.10 0.80 -0.65 0.00 4.81 0.04 0.59 114.58 120.06 3gk3 h GLU 70 Ca -0.01 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 58.99 3gk3 h GLU 70 Cb 0.08 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 3gk3 h GLU 70 CO 0.01 0.77 0.25 0.00 -0.73 0.00 0.00 179.01 179.32 3gk3 h ARG 71 N 0.76 0.97 -0.14 1.92 3.08 -1.02 -2.87 114.38 117.07 3gk3 h ARG 71 Ca 0.16 -0.16 -0.14 0.00 0.07 0.00 0.00 59.98 59.90 3gk3 h ARG 71 Cb 0.39 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3gk3 h ARG 71 CO 0.01 0.80 -0.46 0.00 -1.07 0.00 0.00 179.97 179.25 3gk3 h ALA 73 N 0.53 1.64 0.08 0.00 0.00 -0.93 -0.99 119.26 119.59 3gk3 h ALA 73 Ca -0.02 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gk3 h ALA 73 Cb 1.08 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3gk3 h ALA 73 CO 0.10 0.12 -0.04 0.93 0.00 0.00 0.00 179.25 180.37 3gk3 h GLU 74 N 0.88 -0.10 0.05 0.00 5.08 -1.22 0.19 114.58 119.46 3gk3 h GLU 74 Ca 0.47 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.85 3gk3 h GLU 74 Cb 0.55 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 3gk3 h GLU 74 CO -0.23 -0.05 -0.16 0.87 -1.00 0.00 0.00 179.01 178.44 3gk3 h LYS 75 N -0.12 -0.28 0.20 2.33 1.57 -1.20 0.86 116.57 119.93 3gk3 h LYS 75 Ca -0.01 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3gk3 h LYS 75 Cb 0.09 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 3gk3 h LYS 75 CO 0.02 -0.18 -0.53 0.28 -0.57 0.00 0.00 179.45 178.46 3gk3 h VAL 76 N -0.29 0.00 -0.31 0.50 2.07 -0.80 0.48 116.25 117.90 3gk3 h VAL 76 Ca 0.03 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.56 3gk3 h VAL 76 Cb 0.32 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 3gk3 h VAL 76 CO -0.11 0.00 0.19 -0.07 0.02 0.00 0.00 177.57 177.60 3gk3 h LEU 77 N -0.81 0.33 -0.95 2.57 3.38 -0.70 0.35 115.31 119.48 3gk3 h LEU 77 Ca -0.02 -0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.21 3gk3 h LEU 77 Cb 0.79 -0.08 -0.13 0.00 0.09 0.00 0.00 40.66 41.33 3gk3 h LEU 77 CO -0.25 0.24 0.47 0.00 0.09 0.00 0.00 178.44 178.99 3gk3 h ALA 78 N 1.12 1.65 0.10 1.53 0.00 -0.32 0.23 119.26 123.56 3gk3 h ALA 78 Ca 0.12 0.17 -0.27 0.00 0.00 0.00 0.00 54.91 54.93 3gk3 h ALA 78 Cb -0.03 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3gk3 h ALA 78 CO -0.04 -0.41 -1.25 -0.44 0.00 0.00 0.00 179.25 177.11 3gk3 h ASP 79 N 0.39 0.32 0.00 0.00 3.45 0.41 -3.39 116.42 117.60 3gk3 h ASP 79 Ca 0.63 -0.36 0.00 0.00 0.43 0.00 0.00 57.03 57.73 3gk3 h ASP 79 Cb 1.29 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.95 3gk3 h ASP 79 CO -0.56 1.29 -0.69 0.49 -1.57 0.00 0.00 179.24 178.20 3gk3 n PHE 80 N -3.47 0.00 0.00 4.55 3.01 -0.02 -5.01 117.46 116.52 3gk3 n PHE 80 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 3gk3 n PHE 80 Cb 1.01 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 40.43 3gk3 n PHE 80 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gk3 n GLY 81 N 1.69 2.61 3.58 1.37 0.00 0.72 -4.92 105.19 110.23 3gk3 n GLY 81 Ca -0.00 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 3gk3 n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gk3 s LYS 82 N 0.00 1.45 -0.16 1.61 -2.85 -1.26 -4.95 119.74 113.58 3gk3 s LYS 82 Ca 0.00 -0.88 0.00 0.00 -1.00 0.00 0.00 55.97 54.10 3gk3 s LYS 82 Cb 0.00 0.54 0.03 0.00 -2.06 0.00 0.00 37.83 36.34 3gk3 s LYS 82 CO 0.00 -0.63 -0.10 0.08 0.10 0.00 0.00 175.35 174.80 3gk3 s VAL 83 N -3.88 1.37 -0.16 1.79 1.01 -1.26 -4.80 120.40 114.47 3gk3 s VAL 83 Ca 0.10 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 3gk3 s VAL 83 Cb -0.02 -1.40 -0.23 0.00 0.00 0.00 0.00 36.38 34.73 3gk3 s VAL 83 CO -0.01 0.30 0.22 0.47 0.00 0.00 0.00 175.10 176.08 3gk3 n ASP 84 N 4.81 2.06 -4.13 3.32 8.00 -0.11 -4.56 116.55 125.95 3gk3 n ASP 84 Ca -0.14 0.18 -0.33 0.00 0.71 0.00 0.00 54.79 55.21 3gk3 n ASP 84 Cb 0.49 -0.80 -0.15 0.00 -0.02 0.00 0.00 41.12 40.63 3gk3 n ASP 84 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3gk3 s VAL 85 N -2.53 2.42 -0.23 2.53 1.01 -0.61 -1.09 120.40 121.91 3gk3 s VAL 85 Ca -0.26 -1.24 -0.03 0.00 0.00 0.00 0.00 61.98 60.45 3gk3 s VAL 85 Cb 0.07 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 34.20 3gk3 s VAL 85 CO 0.71 0.19 -0.05 -0.22 0.00 0.00 0.00 175.10 175.72 3gk3 s LEU 86 N 1.23 2.96 -0.65 3.92 2.96 0.11 -0.39 118.68 128.82 3gk3 s LEU 86 Ca -0.02 -0.57 -0.11 0.00 -0.22 0.00 0.00 54.13 53.21 3gk3 s LEU 86 Cb -0.17 -1.70 0.17 0.00 0.50 0.00 0.00 46.19 44.99 3gk3 s LEU 86 CO -0.07 -0.06 0.56 -0.63 -1.32 0.00 0.00 176.35 174.84 3gk3 s ILE 87 N 1.42 4.90 -1.11 6.68 -1.09 -0.68 -0.81 121.20 130.52 3gk3 s ILE 87 Ca 0.04 -2.20 -0.23 0.00 -2.23 0.00 0.00 60.65 56.03 3gk3 s ILE 87 Cb -0.15 -4.11 -0.13 0.00 -1.58 0.00 0.00 42.46 36.49 3gk3 s ILE 87 CO -0.04 -0.91 1.95 0.59 -1.23 0.00 0.00 174.94 175.30 3gk3 n ASN 88 N 4.36 2.70 -0.08 3.58 5.03 -0.93 -1.68 115.26 128.25 3gk3 n ASN 88 Ca 0.02 -2.66 -0.04 0.00 0.87 0.00 0.00 54.58 52.77 3gk3 n ASN 88 Cb 0.43 -1.66 -0.16 0.00 -1.02 0.00 0.00 39.78 37.36 3gk3 n ASN 88 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3gk3 n ASN 89 N 14.61 0.03 -4.72 6.41 2.85 -1.24 -1.83 115.26 131.37 3gk3 n ASN 89 Ca 0.45 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.49 3gk3 n ASN 89 Cb 0.46 1.26 -0.03 0.00 1.24 0.00 0.00 39.78 42.71 3gk3 n ASN 89 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3gk3 n ALA 90 N -2.62 2.47 -3.54 5.20 0.00 -1.15 -4.89 120.51 115.98 3gk3 n ALA 90 Ca -0.25 0.39 -0.09 0.00 0.00 0.00 0.00 53.44 53.49 3gk3 n ALA 90 Cb 1.00 -2.47 -0.02 0.00 0.00 0.00 0.00 19.45 17.97 3gk3 n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3gk3 s GLY 91 N 0.81 -0.46 0.10 0.00 0.00 -1.26 -4.69 107.32 101.81 3gk3 s GLY 91 Ca 0.70 0.49 0.00 0.00 0.00 0.00 0.00 44.72 45.92 3gk3 s GLY 91 CO 0.40 0.16 -0.02 -0.26 0.00 0.00 0.00 173.10 173.38 3gk3 s ILE 92 N -3.55 0.43 0.12 0.90 -4.36 -1.26 -5.06 121.20 108.43 3gk3 s ILE 92 Ca 0.05 -1.90 0.08 0.00 -0.26 0.00 0.00 60.65 58.62 3gk3 s ILE 92 Cb -0.02 -1.75 -0.04 0.00 1.25 0.00 0.00 42.46 41.90 3gk3 s ILE 92 CO -0.08 -0.79 -0.11 0.42 0.24 0.00 0.00 174.94 174.62 3gk3 s THR 93 N -3.80 3.26 -0.42 8.37 -4.23 -1.26 -4.89 115.64 112.67 3gk3 s THR 93 Ca 0.14 -1.36 0.02 0.00 -1.18 0.00 0.00 61.69 59.31 3gk3 s THR 93 Cb 0.07 -2.53 0.15 0.00 1.34 0.00 0.00 72.50 71.53 3gk3 s THR 93 CO -0.04 0.08 0.29 -0.13 -0.54 0.00 0.00 174.62 174.28 3gk3 s ARG 94 N -2.28 1.00 0.46 3.99 1.81 -1.26 -5.06 118.95 117.61 3gk3 s ARG 94 Ca 0.21 -1.94 -0.14 0.00 -1.72 0.00 0.00 55.73 52.14 3gk3 s ARG 94 Cb -0.11 -1.74 -0.07 0.00 -0.45 0.00 0.00 34.95 32.58 3gk3 s ARG 94 CO 0.13 -1.28 0.89 -0.51 -0.68 0.00 0.00 175.30 173.86 3gk3 s ASP 95 N 0.32 6.60 0.00 0.23 1.01 -1.26 -4.82 116.67 118.75 3gk3 s ASP 95 Ca 0.24 1.39 0.00 0.00 0.71 0.00 0.00 52.55 54.89 3gk3 s ASP 95 Cb -0.11 -2.43 0.00 0.00 1.01 0.00 0.00 42.92 41.39 3gk3 s ASP 95 CO -0.09 -0.49 0.00 0.00 0.21 0.00 0.00 175.17 174.80 3gk3 n ALA 96 N -1.38 0.00 -1.39 5.23 0.00 -0.13 -5.03 120.51 117.82 3gk3 n ALA 96 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.13 3gk3 n ALA 96 Cb 0.54 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.07 3gk3 n ALA 96 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3gk3 n THR 97 N -0.27 2.96 -0.02 0.00 -2.24 -1.26 -3.97 114.28 109.48 3gk3 n THR 97 Ca 0.00 -0.38 -0.09 0.00 -2.27 0.00 0.00 64.05 61.31 3gk3 n THR 97 Cb 0.00 -1.12 -0.03 0.00 -2.10 0.00 0.00 70.33 67.08 3gk3 n THR 97 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3gk3 h PHE 98 N -0.18 -0.18 -0.98 4.78 3.57 -1.95 0.45 116.94 122.45 3gk3 h PHE 98 Ca -0.48 0.02 0.22 0.00 3.53 0.00 0.00 57.97 61.27 3gk3 h PHE 98 Cb 1.34 0.10 -0.12 0.00 2.79 0.00 0.00 35.95 40.06 3gk3 h PHE 98 CO 0.40 -0.12 0.56 1.98 -2.23 0.00 0.00 178.31 178.89 3gk3 h MET 99 N -0.06 0.58 -0.02 1.11 4.05 -2.05 -1.58 114.93 116.97 3gk3 h MET 99 Ca 0.09 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 3gk3 h MET 99 Cb 0.19 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 30.86 3gk3 h MET 99 CO -0.20 0.38 -0.19 1.63 0.23 0.00 0.00 176.91 178.76 3gk3 n LYS 100 N -4.88 1.44 -2.60 0.39 5.02 -0.70 -4.96 118.16 111.87 3gk3 n LYS 100 Ca 0.25 -1.02 -0.41 0.00 -2.02 0.00 0.00 58.31 55.10 3gk3 n LYS 100 Cb 0.67 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 34.17 3gk3 n LYS 100 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 3gk3 s MET 101 N -2.26 4.61 0.45 1.97 1.75 0.07 -4.88 119.30 121.00 3gk3 s MET 101 Ca 0.27 1.60 0.03 0.00 -1.25 0.00 0.00 55.69 56.34 3gk3 s MET 101 Cb 0.20 -3.34 0.01 0.00 2.84 0.00 0.00 34.83 34.53 3gk3 s MET 101 CO 0.44 0.07 0.64 0.95 -0.65 0.00 0.00 175.02 176.47 3gk3 s THR 102 N 0.15 3.51 0.53 10.11 -4.23 -1.26 -4.97 115.64 119.48 3gk3 s THR 102 Ca 0.50 -0.72 0.19 0.00 -1.18 0.00 0.00 61.69 60.48 3gk3 s THR 102 Cb -0.26 -3.26 0.30 0.00 1.34 0.00 0.00 72.50 70.62 3gk3 s THR 102 CO 0.32 -0.16 2.13 0.07 -0.54 0.00 0.00 174.62 176.44 3gk3 h LYS 103 N 0.45 0.00 0.13 3.99 -0.00 -2.00 -2.52 116.57 116.62 3gk3 h LYS 103 Ca -0.44 0.00 -0.30 0.00 -0.00 0.00 0.00 60.65 59.91 3gk3 h LYS 103 Cb 1.27 0.00 0.03 0.00 -0.00 0.00 0.00 32.23 33.53 3gk3 h LYS 103 CO 0.53 0.00 -1.25 0.78 -0.00 0.00 0.00 179.45 179.51 3gk3 h GLY 104 N 0.00 0.69 0.21 0.07 0.00 -1.98 -1.02 103.07 101.05 3gk3 h GLY 104 Ca 0.05 -1.47 0.06 0.00 0.00 0.00 0.00 47.33 45.97 3gk3 h GLY 104 CO -0.00 1.29 -0.23 -0.55 0.00 0.00 0.00 176.54 177.05 3gk3 h ASP 105 N 0.24 -0.73 0.02 0.19 3.32 -1.85 -0.20 116.42 117.41 3gk3 h ASP 105 Ca -0.19 0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 3gk3 h ASP 105 Cb 1.92 0.34 0.00 0.00 0.22 0.00 0.00 39.33 41.81 3gk3 h ASP 105 CO 0.24 -0.27 -0.01 -0.25 -1.72 0.00 0.00 179.24 177.23 3gk3 h TRP 106 N -0.25 -0.03 -0.49 4.55 2.91 -1.45 -3.08 115.95 118.11 3gk3 h TRP 106 Ca 0.13 -0.00 -0.13 0.00 1.13 0.00 0.00 58.89 60.01 3gk3 h TRP 106 Cb 0.44 0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 29.09 3gk3 h TRP 106 CO -0.37 0.12 -0.21 0.22 -1.03 0.00 0.00 178.44 177.18 3gk3 h ASP 107 N -0.17 1.03 -0.40 2.65 3.58 -1.09 -1.97 116.42 120.04 3gk3 h ASP 107 Ca -0.00 -0.39 -0.02 0.00 0.42 0.00 0.00 57.03 57.05 3gk3 h ASP 107 Cb 0.16 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 3gk3 h ASP 107 CO 0.00 1.19 0.20 0.00 -2.88 0.00 0.00 179.24 177.75 3gk3 h ALA 108 N 0.89 1.53 0.04 -0.78 0.00 -1.04 -2.37 119.26 117.52 3gk3 h ALA 108 Ca 0.11 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 3gk3 h ALA 108 Cb 0.79 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.41 3gk3 h ALA 108 CO 0.07 0.38 -0.69 0.28 0.00 0.00 0.00 179.25 179.28 3gk3 h VAL 109 N 0.62 1.44 0.07 0.00 2.07 -1.42 -2.88 116.25 116.15 3gk3 h VAL 109 Ca 0.16 -2.20 0.01 0.00 0.82 0.00 0.00 66.70 65.49 3gk3 h VAL 109 Cb 0.08 2.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 3gk3 h VAL 109 CO -0.02 0.64 -0.14 0.24 0.02 0.00 0.00 177.57 178.31 3gk3 h MET 110 N -0.13 -0.26 -0.59 1.57 2.07 -1.04 -0.62 114.93 115.93 3gk3 h MET 110 Ca -0.10 0.02 0.04 0.00 -2.07 0.00 0.00 59.70 57.59 3gk3 h MET 110 Cb 1.42 0.06 -0.04 0.00 -1.87 0.00 0.00 31.60 31.17 3gk3 h MET 110 CO 0.13 -0.17 0.34 0.00 1.07 0.00 0.00 176.91 178.28 3gk3 h ARG 111 N -0.27 0.63 0.17 1.72 3.08 -1.54 0.10 114.38 118.28 3gk3 h ARG 111 Ca 0.03 -0.04 -0.33 0.00 0.07 0.00 0.00 59.98 59.71 3gk3 h ARG 111 Cb 0.30 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.21 3gk3 h ARG 111 CO -0.09 0.42 -1.60 1.15 -1.07 0.00 0.00 179.97 178.78 3gk3 h THR 112 N 0.65 1.11 0.04 2.04 2.02 -1.38 -2.58 112.91 114.80 3gk3 h THR 112 Ca 0.25 -2.68 -0.32 0.00 0.77 0.00 0.00 66.41 64.43 3gk3 h THR 112 Cb 0.09 2.82 -0.04 0.00 -1.74 0.00 0.00 68.15 69.28 3gk3 h THR 112 CO -0.13 0.84 -1.87 0.47 0.37 0.00 0.00 175.52 175.20 3gk3 n ASP 113 N -3.56 1.26 -0.03 4.18 9.92 -0.25 -3.86 116.55 124.21 3gk3 n ASP 113 Ca -0.19 0.31 -0.05 0.00 -0.53 0.00 0.00 54.79 54.32 3gk3 n ASP 113 Cb 1.07 -0.27 -0.03 0.00 -0.64 0.00 0.00 41.12 41.25 3gk3 n ASP 113 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 3gk3 n LEU 114 N -3.17 2.53 -0.33 0.64 7.94 0.17 -4.54 117.00 120.23 3gk3 n LEU 114 Ca -0.24 -0.01 -0.03 0.00 -1.11 0.00 0.00 56.01 54.62 3gk3 n LEU 114 Cb 1.06 -0.22 0.11 0.00 0.53 0.00 0.00 43.42 44.89 3gk3 n LEU 114 CO 0.44 0.52 1.20 0.44 -1.11 0.00 0.00 177.39 178.88 3gk3 h ASP 115 N -0.05 1.12 -0.88 1.96 3.32 -1.06 -1.74 116.42 119.08 3gk3 h ASP 115 Ca -0.15 -0.08 0.31 0.00 0.02 0.00 0.00 57.03 57.12 3gk3 h ASP 115 Cb 1.21 -0.28 -0.16 0.00 0.22 0.00 0.00 39.33 40.32 3gk3 h ASP 115 CO -0.04 0.87 0.24 0.00 -1.72 0.00 0.00 179.24 178.60 3gk3 n ALA 116 N -2.40 0.67 -0.18 3.45 0.00 -0.98 -0.66 120.51 120.41 3gk3 n ALA 116 Ca 0.10 0.92 -0.01 0.00 0.00 0.00 0.00 53.44 54.46 3gk3 n ALA 116 Cb 0.08 -0.79 0.08 0.00 0.00 0.00 0.00 19.45 18.81 3gk3 n ALA 116 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3gk3 h MET 117 N 0.00 0.13 -0.00 0.00 2.86 -1.55 -1.54 114.93 114.82 3gk3 h MET 117 Ca 0.64 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 58.19 3gk3 h MET 117 Cb 1.53 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 33.17 3gk3 h MET 117 CO -0.76 0.08 -0.31 0.35 1.06 0.00 0.00 176.91 177.34 3gk3 h PHE 118 N 0.13 0.32 0.83 -0.22 3.57 -1.04 -2.98 116.94 117.56 3gk3 h PHE 118 Ca 0.29 -0.17 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 3gk3 h PHE 118 Cb 0.45 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 3gk3 h PHE 118 CO -0.33 0.97 -0.48 -0.91 -2.23 0.00 0.00 178.31 175.33 3gk3 h ASN 119 N -0.43 -1.20 -0.17 0.41 2.35 -0.98 -0.78 115.58 114.78 3gk3 h ASN 119 Ca -0.04 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3gk3 h ASN 119 Cb 1.05 0.34 -0.01 0.00 0.05 0.00 0.00 38.32 39.76 3gk3 h ASN 119 CO 0.06 -0.76 0.07 0.58 -1.65 0.00 0.00 177.43 175.73 3gk3 h VAL 120 N -1.22 1.16 -0.02 2.81 2.07 -1.46 -3.16 116.25 116.43 3gk3 h VAL 120 Ca -0.11 -0.48 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 3gk3 h VAL 120 Cb 0.97 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 3gk3 h VAL 120 CO 0.13 0.15 -0.33 0.74 0.02 0.00 0.00 177.57 178.29 3gk3 h THR 121 N 0.13 1.24 -0.49 2.57 2.02 -1.50 -2.22 112.91 114.65 3gk3 h THR 121 Ca 0.06 -1.15 0.05 0.00 0.77 0.00 0.00 66.41 66.14 3gk3 h THR 121 Cb 0.17 1.60 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 3gk3 h THR 121 CO -0.00 0.33 0.33 0.50 0.37 0.00 0.00 175.52 177.05 3gk3 h LYS 122 N 0.03 0.46 -0.08 6.66 1.63 -1.10 -2.32 116.57 121.85 3gk3 h LYS 122 Ca 0.00 -0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 59.69 3gk3 h LYS 122 Cb 0.59 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.11 3gk3 h LYS 122 CO 0.04 0.30 -0.34 1.96 -3.45 0.00 0.00 179.45 177.96 3gk3 h GLN 123 N 0.47 0.15 0.00 1.90 1.08 -1.48 -3.36 115.11 113.87 3gk3 h GLN 123 Ca 0.21 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 3gk3 h GLN 123 Cb 0.24 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 3gk3 h GLN 123 CO -0.05 0.48 -0.43 1.19 -0.95 0.00 0.00 178.83 179.07 3gk3 n PHE 124 N -4.10 0.00 0.10 2.96 3.72 -1.04 -4.64 117.46 114.47 3gk3 n PHE 124 Ca -0.01 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.43 3gk3 n PHE 124 Cb 0.41 -0.02 0.48 0.00 -0.94 0.00 0.00 39.48 39.42 3gk3 n PHE 124 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 3gk3 h ILE 125 N 0.00 1.09 -0.28 4.37 6.09 -1.58 -2.98 117.51 124.22 3gk3 h ILE 125 Ca 0.00 -0.24 -0.00 0.00 -1.37 0.00 0.00 64.86 63.25 3gk3 h ILE 125 Cb 0.10 0.79 -0.01 0.00 0.47 0.00 0.00 36.82 38.17 3gk3 h ILE 125 CO 0.00 0.10 0.17 0.00 -3.07 0.00 0.00 178.15 175.35 3gk3 h ALA 126 N 1.80 0.35 0.00 0.18 0.00 -1.82 -1.97 119.26 117.81 3gk3 h ALA 126 Ca 0.08 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 3gk3 h ALA 126 Cb 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3gk3 h ALA 126 CO -0.01 -0.16 -0.77 0.78 0.00 0.00 0.00 179.25 179.09 3gk3 h GLY 127 N 0.36 0.00 0.88 0.00 0.00 -1.86 -1.55 103.07 100.90 3gk3 h GLY 127 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.37 3gk3 h GLY 127 CO -0.02 0.00 -0.04 -0.33 0.00 0.00 0.00 176.54 176.15 3gk3 h MET 128 N 0.00 0.55 -0.19 4.80 2.07 -1.43 0.10 114.93 120.83 3gk3 h MET 128 Ca -0.01 -0.20 -0.02 0.00 -2.07 0.00 0.00 59.70 57.40 3gk3 h MET 128 Cb 1.41 -0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 31.09 3gk3 h MET 128 CO 0.10 0.73 0.04 0.28 1.07 0.00 0.00 176.91 179.12 3gk3 h VAL 129 N 0.33 1.22 -0.38 -2.22 2.07 -1.28 -0.00 116.25 115.99 3gk3 h VAL 129 Ca 0.08 -0.71 0.07 0.00 0.82 0.00 0.00 66.70 66.96 3gk3 h VAL 129 Cb 0.50 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 3gk3 h VAL 129 CO 0.02 0.22 0.02 -0.33 0.02 0.00 0.00 177.57 177.52 3gk3 h GLU 130 N 0.11 0.13 -0.10 1.57 3.07 -1.21 -1.51 114.58 116.64 3gk3 h GLU 130 Ca 0.06 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 3gk3 h GLU 130 Cb 0.30 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 3gk3 h GLU 130 CO 0.00 0.08 0.00 0.54 -1.40 0.00 0.00 179.01 178.24 3gk3 n ARG 131 N -5.16 1.26 -4.39 2.33 1.74 0.34 -4.91 116.66 107.86 3gk3 n ARG 131 Ca 0.02 -0.40 -0.38 0.00 -0.77 0.00 0.00 57.85 56.32 3gk3 n ARG 131 Cb 0.19 -1.13 -0.07 0.00 -1.02 0.00 0.00 32.46 30.43 3gk3 n ARG 131 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3gk3 n ARG 132 N -0.21 -1.50 -3.65 5.56 5.12 -0.25 -4.95 116.66 116.77 3gk3 n ARG 132 Ca 0.06 0.20 -0.13 0.00 -1.93 0.00 0.00 57.85 56.05 3gk3 n ARG 132 Cb 0.11 -4.59 -0.08 0.00 -1.16 0.00 0.00 32.46 26.74 3gk3 n ARG 132 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 3gk3 s PHE 133 N -3.51 -0.72 -0.22 -1.55 5.36 -0.18 -4.32 117.98 112.85 3gk3 s PHE 133 Ca 0.61 1.74 -0.31 0.00 -0.96 0.00 0.00 56.93 58.01 3gk3 s PHE 133 Cb -0.35 0.26 0.16 0.00 -0.34 0.00 0.00 43.02 42.74 3gk3 s PHE 133 CO 0.99 -0.35 1.20 0.20 -1.46 0.00 0.00 175.22 175.80 3gk3 s GLY 134 N 0.40 -0.13 -0.27 13.12 0.00 -0.91 -4.40 107.32 115.14 3gk3 s GLY 134 Ca -0.01 2.25 0.01 0.00 0.00 0.00 0.00 44.72 46.97 3gk3 s GLY 134 CO -0.00 0.93 0.01 0.50 0.00 0.00 0.00 173.10 174.53 3gk3 s ARG 135 N -1.43 1.32 -0.26 2.90 1.81 -0.25 -1.30 118.95 121.75 3gk3 s ARG 135 Ca 0.06 -1.14 -0.07 0.00 -1.72 0.00 0.00 55.73 52.86 3gk3 s ARG 135 Cb -0.01 -2.53 -0.02 0.00 -0.45 0.00 0.00 34.95 31.94 3gk3 s ARG 135 CO -0.04 -0.76 0.07 0.42 -0.68 0.00 0.00 175.30 174.31 3gk3 s ILE 136 N 1.38 4.21 -0.27 1.52 1.01 -0.10 0.10 121.20 129.06 3gk3 s ILE 136 Ca 0.01 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.41 3gk3 s ILE 136 Cb -0.18 -3.00 0.07 0.00 0.01 0.00 0.00 42.46 39.36 3gk3 s ILE 136 CO -0.11 0.30 -0.04 -0.69 0.00 0.00 0.00 174.94 174.40 3gk3 s VAL 137 N 1.59 1.83 -0.13 2.92 1.01 0.01 -1.60 120.40 126.04 3gk3 s VAL 137 Ca 0.06 -1.59 -0.19 0.00 0.00 0.00 0.00 61.98 60.26 3gk3 s VAL 137 Cb -0.15 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3gk3 s VAL 137 CO 0.03 -0.22 0.52 0.20 0.00 0.00 0.00 175.10 175.63 3gk3 s ASN 138 N 1.22 6.71 -0.35 3.32 0.02 -0.23 -2.18 114.94 123.44 3gk3 s ASN 138 Ca -0.03 0.85 -0.23 0.00 -1.02 0.00 0.00 52.86 52.43 3gk3 s ASN 138 Cb -0.19 -2.31 0.01 0.00 0.02 0.00 0.00 41.25 38.78 3gk3 s ASN 138 CO -0.07 -0.05 0.78 -0.63 0.02 0.00 0.00 177.10 177.15 3gk3 s ILE 139 N 0.83 4.75 0.00 0.60 -1.09 -0.76 -1.49 121.20 124.04 3gk3 s ILE 139 Ca 0.27 0.95 0.00 0.00 -2.23 0.00 0.00 60.65 59.65 3gk3 s ILE 139 Cb -0.16 -4.20 0.00 0.00 -1.58 0.00 0.00 42.46 36.53 3gk3 s ILE 139 CO 0.11 -0.39 0.00 0.61 -1.23 0.00 0.00 174.94 174.04 3gk3 n GLY 140 N 4.45 1.54 3.64 6.18 0.00 -0.31 -4.94 105.19 115.75 3gk3 n GLY 140 Ca 0.03 -1.53 -0.05 0.00 0.00 0.00 0.00 46.02 44.47 3gk3 n GLY 140 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gk3 s SER 141 N -1.00 -0.18 0.63 1.61 0.15 -1.26 -4.46 113.70 109.18 3gk3 s SER 141 Ca 0.00 0.32 0.37 0.00 0.70 0.00 0.00 55.95 57.34 3gk3 s SER 141 Cb 0.00 0.32 2.10 0.00 -1.71 0.00 0.00 66.02 66.73 3gk3 s SER 141 CO 0.00 -0.08 2.29 1.62 1.20 0.00 0.00 173.24 178.27 3gk3 h VAL 142 N 3.02 0.25 0.00 4.45 3.04 -1.50 -1.75 116.25 123.76 3gk3 h VAL 142 Ca -0.24 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 3gk3 h VAL 142 Cb 1.19 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 3gk3 h VAL 142 CO 0.18 0.00 0.00 0.78 -1.01 0.00 0.00 177.57 177.52 3gk3 h ASN 143 N 0.00 0.00 0.46 3.17 2.35 -1.88 -1.11 115.58 118.57 3gk3 h ASN 143 Ca 0.01 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.50 3gk3 h ASN 143 Cb 0.06 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.43 3gk3 h ASN 143 CO -0.00 0.00 -1.12 1.23 -1.65 0.00 0.00 177.43 175.89 3gk3 h GLY 144 N 3.04 0.41 0.71 2.83 0.00 -1.55 -2.16 103.07 106.34 3gk3 h GLY 144 Ca 0.00 -0.86 -0.00 0.00 0.00 0.00 0.00 47.33 46.46 3gk3 h GLY 144 CO 0.00 0.76 0.00 1.76 0.00 0.00 0.00 176.54 179.06 3gk3 h SER 145 N 0.16 0.02 0.00 0.19 0.02 -1.14 -3.35 113.55 109.45 3gk3 h SER 145 Ca -0.12 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 3gk3 h SER 145 Cb 1.80 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.33 3gk3 h SER 145 CO 0.19 0.32 -0.71 -2.11 -1.14 0.00 0.00 176.83 173.37 3gk3 n ARG 146 N -4.93 2.27 0.00 3.45 1.85 -0.51 -5.10 116.66 113.68 3gk3 n ARG 146 Ca -0.08 -0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 3gk3 n ARG 146 Cb 0.17 -1.17 0.00 0.00 -1.05 0.00 0.00 32.46 30.41 3gk3 n ARG 146 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3gk3 n GLY 147 N 1.35 -1.42 3.40 2.89 0.00 -0.81 -5.06 105.19 105.54 3gk3 n GLY 147 Ca 0.02 -1.51 -0.11 0.00 0.00 0.00 0.00 46.02 44.43 3gk3 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gk3 s ALA 148 N -3.18 -1.32 0.26 4.61 0.00 -1.25 -4.83 121.76 116.05 3gk3 s ALA 148 Ca 0.00 1.70 -0.30 0.00 0.00 0.00 0.00 51.96 53.36 3gk3 s ALA 148 Cb 0.00 -1.01 -0.14 0.00 0.00 0.00 0.00 23.12 21.97 3gk3 s ALA 148 CO 0.00 -0.28 1.30 0.34 0.00 0.00 0.00 175.76 177.12 3gk3 n PHE 149 N 3.74 1.96 -1.00 0.00 7.35 -1.26 -1.81 117.46 126.45 3gk3 n PHE 149 Ca -0.19 0.52 -0.00 0.00 -0.76 0.00 0.00 57.45 57.02 3gk3 n PHE 149 Cb 0.56 -2.40 -0.00 0.00 0.35 0.00 0.00 39.48 37.99 3gk3 n PHE 149 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3gk3 n GLY 150 N 1.75 0.46 2.64 7.13 0.00 -1.26 -4.93 105.19 110.98 3gk3 n GLY 150 Ca 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 3gk3 n GLY 150 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gk3 n GLN 151 N -2.63 1.46 -0.32 1.61 6.02 -0.75 -0.95 117.38 121.81 3gk3 n GLN 151 Ca -0.00 -2.64 0.21 0.00 -0.01 0.00 0.00 57.00 54.55 3gk3 n GLN 151 Cb 0.05 -0.83 0.41 0.00 1.02 0.00 0.00 30.24 30.90 3gk3 n GLN 151 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gk3 h ALA 152 N 1.94 1.71 0.39 -1.58 0.00 -1.82 0.01 119.26 119.91 3gk3 h ALA 152 Ca -0.25 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3gk3 h ALA 152 Cb 1.32 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3gk3 h ALA 152 CO 0.05 -0.57 -0.19 -2.95 0.00 0.00 0.00 179.25 175.60 3gk3 h ASN 153 N 0.25 -0.44 -0.77 0.00 -1.07 -1.92 -2.45 115.58 109.18 3gk3 h ASN 153 Ca 0.68 -0.11 0.08 0.00 0.07 0.00 0.00 56.30 57.02 3gk3 h ASN 153 Cb 1.52 0.11 -0.07 0.00 -2.07 0.00 0.00 38.32 37.81 3gk3 h ASN 153 CO -0.65 -0.12 0.43 0.22 0.07 0.00 0.00 177.43 177.38 3gk3 h TYR 154 N -0.78 0.79 0.00 4.14 3.20 -1.74 -0.97 116.97 121.61 3gk3 h TYR 154 Ca -0.05 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.72 3gk3 h TYR 154 Cb 0.52 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 3gk3 h TYR 154 CO 0.01 0.35 -0.60 0.00 -1.64 0.00 0.00 178.16 176.28 3gk3 h ALA 155 N 1.41 0.71 -0.06 1.82 0.00 -1.09 -0.11 119.26 121.93 3gk3 h ALA 155 Ca 0.36 -0.54 -0.22 0.00 0.00 0.00 0.00 54.91 54.50 3gk3 h ALA 155 Cb 0.28 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.98 3gk3 h ALA 155 CO -0.22 0.75 -0.87 0.77 0.00 0.00 0.00 179.25 179.68 3gk3 h SER 156 N 0.00 0.73 -0.03 0.00 0.02 -1.04 -1.59 113.55 111.64 3gk3 h SER 156 Ca -0.01 -0.53 -0.06 0.00 -0.84 0.00 0.00 61.79 60.36 3gk3 h SER 156 Cb 1.32 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.65 3gk3 h SER 156 CO 0.08 1.31 -0.20 0.00 -1.14 0.00 0.00 176.83 176.88 3gk3 h ALA 157 N 0.66 0.07 -0.19 3.77 0.00 -0.97 -2.28 119.26 120.31 3gk3 h ALA 157 Ca -0.07 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.31 3gk3 h ALA 157 Cb 1.49 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 3gk3 h ALA 157 CO 0.16 0.05 -0.37 0.87 0.00 0.00 0.00 179.25 179.97 3gk3 h LYS 158 N -0.39 0.42 -0.29 0.00 1.79 -1.09 -1.45 116.57 115.57 3gk3 h LYS 158 Ca -0.02 -0.19 -0.15 0.00 -2.18 0.00 0.00 60.65 58.11 3gk3 h LYS 158 Cb 0.88 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.51 3gk3 h LYS 158 CO 0.04 0.73 -0.41 0.00 -1.08 0.00 0.00 179.45 178.73 3gk3 h ALA 159 N 1.25 0.72 -0.16 3.86 0.00 -1.36 -3.12 119.26 120.45 3gk3 h ALA 159 Ca 0.04 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 3gk3 h ALA 159 Cb 0.81 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3gk3 h ALA 159 CO 0.07 0.66 -0.24 0.78 0.00 0.00 0.00 179.25 180.52 3gk3 h GLY 160 N 0.94 0.31 0.33 0.00 0.00 -0.86 -2.92 103.07 100.87 3gk3 h GLY 160 Ca 0.05 -0.23 0.17 0.00 0.00 0.00 0.00 47.33 47.32 3gk3 h GLY 160 CO 0.09 0.21 0.60 -2.22 0.00 0.00 0.00 176.54 175.22 3gk3 h ILE 161 N 0.26 0.76 0.00 2.60 2.04 -1.22 -1.05 117.51 120.90 3gk3 h ILE 161 Ca 0.04 -0.23 -0.11 0.00 1.00 0.00 0.00 64.86 65.56 3gk3 h ILE 161 Cb 0.56 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 3gk3 h ILE 161 CO 0.04 0.12 -0.53 -0.74 0.00 0.00 0.00 178.15 177.04 3gk3 h HIS 162 N 0.68 0.00 -0.65 1.37 2.76 -1.62 0.25 115.15 117.94 3gk3 h HIS 162 Ca 0.50 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.70 3gk3 h HIS 162 Cb 0.87 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.79 3gk3 h HIS 162 CO -0.00 0.53 0.43 0.78 -1.30 0.00 0.00 177.93 178.37 3gk3 h GLY 163 N 2.01 0.89 0.40 5.26 0.00 -1.27 -0.57 103.07 109.79 3gk3 h GLY 163 Ca -0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 3gk3 h GLY 163 CO 0.07 0.28 -0.08 -2.75 0.00 0.00 0.00 176.54 174.06 3gk3 h PHE 164 N 0.80 -0.20 -0.74 5.60 3.57 -0.84 -1.94 116.94 123.18 3gk3 h PHE 164 Ca 0.26 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.89 3gk3 h PHE 164 Cb 0.03 0.07 -0.14 0.00 2.79 0.00 0.00 35.95 38.70 3gk3 h PHE 164 CO -0.00 0.23 -0.27 1.15 -2.23 0.00 0.00 178.31 177.19 3gk3 h THR 165 N -0.82 0.17 -0.54 4.41 2.02 -0.45 0.32 112.91 118.01 3gk3 h THR 165 Ca -0.02 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.09 3gk3 h THR 165 Cb 0.53 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 3gk3 h THR 165 CO 0.04 0.00 0.09 0.11 0.37 0.00 0.00 175.52 176.13 3gk3 h LYS 166 N -0.06 0.90 -0.20 6.66 1.57 -1.02 -0.18 116.57 124.24 3gk3 h LYS 166 Ca 0.32 -0.24 -0.19 0.00 -1.87 0.00 0.00 60.65 58.67 3gk3 h LYS 166 Cb 0.57 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3gk3 h LYS 166 CO -0.79 0.87 -0.63 1.15 -0.57 0.00 0.00 179.45 179.48 3gk3 h THR 167 N 0.79 1.30 0.00 -0.16 2.02 -0.53 -2.22 112.91 114.11 3gk3 h THR 167 Ca 0.17 -1.86 -0.08 0.00 0.77 0.00 0.00 66.41 65.40 3gk3 h THR 167 Cb 0.41 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 3gk3 h THR 167 CO 0.01 0.59 -0.40 0.25 0.37 0.00 0.00 175.52 176.34 3gk3 h LEU 168 N 0.53 0.00 -0.27 2.58 5.85 -0.84 -1.76 115.31 121.39 3gk3 h LEU 168 Ca -0.01 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.53 3gk3 h LEU 168 Cb 1.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.26 3gk3 h LEU 168 CO 0.13 0.40 -0.52 0.00 -0.34 0.00 0.00 178.44 178.11 3gk3 h ALA 169 N 1.60 0.43 -0.41 1.25 0.00 -1.00 -2.78 119.26 118.35 3gk3 h ALA 169 Ca -0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 3gk3 h ALA 169 Cb 1.09 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3gk3 h ALA 169 CO 0.05 0.62 0.18 -0.07 0.00 0.00 0.00 179.25 180.04 3gk3 h LEU 170 N 0.59 0.51 0.01 0.00 3.38 -1.01 -2.80 115.31 115.99 3gk3 h LEU 170 Ca 0.01 -0.04 -0.24 0.00 0.09 0.00 0.00 57.88 57.69 3gk3 h LEU 170 Cb 1.13 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 3gk3 h LEU 170 CO 0.12 0.45 -1.28 -0.33 0.09 0.00 0.00 178.44 177.49 3gk3 h GLU 171 N 0.57 0.01 -0.67 1.13 5.08 -1.33 -3.32 114.58 116.05 3gk3 h GLU 171 Ca 0.14 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3gk3 h GLU 171 Cb 0.08 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3gk3 h GLU 171 CO -0.02 0.82 0.00 0.25 -1.00 0.00 0.00 179.01 179.06 3gk3 n THR 172 N -3.24 0.91 -0.01 1.13 -2.24 -1.05 -4.70 114.28 105.07 3gk3 n THR 172 Ca -0.07 -0.90 -0.12 0.00 -2.27 0.00 0.00 64.05 60.70 3gk3 n THR 172 Cb 0.98 0.44 -0.07 0.00 -2.10 0.00 0.00 70.33 69.59 3gk3 n THR 172 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gk3 h ALA 173 N 4.22 0.11 -0.23 6.98 0.00 -1.59 -1.82 119.26 126.93 3gk3 h ALA 173 Ca 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 3gk3 h ALA 173 Cb 0.91 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 3gk3 h ALA 173 CO 0.01 -0.30 0.13 1.63 0.00 0.00 0.00 179.25 180.72 3gk3 n LYS 174 N -4.93 1.43 -0.35 0.00 5.02 -1.26 -3.87 118.16 114.21 3gk3 n LYS 174 Ca -0.06 -0.75 0.03 0.00 -2.02 0.00 0.00 58.31 55.51 3gk3 n LYS 174 Cb 0.12 -1.36 0.04 0.00 -0.02 0.00 0.00 35.03 33.81 3gk3 n LYS 174 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3gk3 n ARG 175 N 0.10 0.44 -1.05 1.97 1.74 -0.68 -4.99 116.66 114.19 3gk3 n ARG 175 Ca 0.13 -1.49 -0.02 0.00 -0.77 0.00 0.00 57.85 55.71 3gk3 n ARG 175 Cb 0.74 -0.82 -0.01 0.00 -1.02 0.00 0.00 32.46 31.35 3gk3 n ARG 175 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gk3 n GLY 176 N -0.46 0.50 3.53 -0.13 0.00 -1.25 -3.49 105.19 103.90 3gk3 n GLY 176 Ca 0.05 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 3gk3 n GLY 176 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gk3 s ILE 177 N -1.89 3.65 0.06 -0.61 1.01 -1.23 -2.14 121.20 120.05 3gk3 s ILE 177 Ca 0.00 -0.48 0.07 0.00 0.00 0.00 0.00 60.65 60.24 3gk3 s ILE 177 Cb 0.00 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 3gk3 s ILE 177 CO 0.00 0.56 -0.14 0.42 0.00 0.00 0.00 174.94 175.78 3gk3 s THR 178 N -0.33 3.11 -0.13 2.92 -4.23 -0.42 -4.50 115.64 112.06 3gk3 s THR 178 Ca 0.05 -1.17 -0.01 0.00 -1.18 0.00 0.00 61.69 59.38 3gk3 s THR 178 Cb -0.12 -2.37 0.03 0.00 1.34 0.00 0.00 72.50 71.38 3gk3 s THR 178 CO 0.02 0.26 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.64 3gk3 s VAL 179 N -1.04 0.80 0.15 2.29 1.01 -1.26 -0.92 120.40 121.43 3gk3 s VAL 179 Ca 0.17 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.86 3gk3 s VAL 179 Cb -0.11 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 3gk3 s VAL 179 CO 0.09 0.20 0.01 0.20 0.00 0.00 0.00 175.10 175.59 3gk3 s ASN 180 N 1.78 0.92 -0.02 3.32 0.01 -0.62 -0.03 114.94 120.29 3gk3 s ASN 180 Ca 0.03 -1.16 0.01 0.00 -0.71 0.00 0.00 52.86 51.04 3gk3 s ASN 180 Cb -0.14 0.17 -0.03 0.00 0.41 0.00 0.00 41.25 41.66 3gk3 s ASN 180 CO -0.07 -0.60 -0.03 -0.89 -1.51 0.00 0.00 177.10 174.00 3gk3 s THR 181 N -3.78 3.99 -0.15 1.60 2.01 -0.20 -1.07 115.64 118.04 3gk3 s THR 181 Ca 0.22 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.64 3gk3 s THR 181 Cb 0.06 -2.74 0.00 0.00 0.01 0.00 0.00 72.50 69.84 3gk3 s THR 181 CO 0.02 0.44 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.51 3gk3 s VAL 182 N -1.00 2.35 -0.46 3.82 1.01 -0.56 -1.15 120.40 124.41 3gk3 s VAL 182 Ca 0.17 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 3gk3 s VAL 182 Cb -0.11 -1.97 0.12 0.00 0.00 0.00 0.00 36.38 34.42 3gk3 s VAL 182 CO 0.07 0.53 0.29 -0.44 0.00 0.00 0.00 175.10 175.56 3gk3 s SER 183 N 0.83 5.46 0.51 3.32 0.01 -0.20 -1.16 113.70 122.48 3gk3 s SER 183 Ca -0.06 -2.07 -0.17 0.00 1.31 0.00 0.00 55.95 54.96 3gk3 s SER 183 Cb -0.15 -1.91 -0.08 0.00 0.21 0.00 0.00 66.02 64.09 3gk3 s SER 183 CO -0.01 -0.59 1.00 -2.16 0.41 0.00 0.00 173.24 171.89 3gk3 s PRO 184 N 1.10 3.85 0.00 12.44 0.05 -1.26 -1.60 135.00 149.59 3gk3 s PRO 184 Ca 0.08 1.07 0.00 0.00 0.05 0.00 0.00 61.00 62.20 3gk3 s PRO 184 Cb -0.24 -2.12 0.00 0.00 0.05 0.00 0.00 34.50 32.20 3gk3 s PRO 184 CO -0.03 -0.36 0.00 0.41 0.05 0.00 0.00 177.00 177.07 3gk3 n GLY 185 N -1.18 1.45 3.72 0.56 0.00 -0.82 -1.57 105.19 107.35 3gk3 n GLY 185 Ca 0.07 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 3gk3 n GLY 185 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gk3 s TYR 186 N 1.78 3.54 0.24 1.61 2.02 -1.26 -4.91 117.35 120.38 3gk3 s TYR 186 Ca 0.00 1.48 0.12 0.00 -0.37 0.00 0.00 57.07 58.30 3gk3 s TYR 186 Cb 0.00 -3.30 -0.05 0.00 -0.40 0.00 0.00 41.96 38.21 3gk3 s TYR 186 CO 0.00 -0.76 -0.21 -0.51 -1.57 0.00 0.00 175.55 172.50 3gk3 s LEU 187 N 0.74 2.52 -0.42 -1.29 1.43 -1.26 -1.14 118.68 119.26 3gk3 s LEU 187 Ca 0.55 -0.96 -0.04 0.00 -1.03 0.00 0.00 54.13 52.64 3gk3 s LEU 187 Cb -0.27 -1.10 -0.00 0.00 0.03 0.00 0.00 46.19 44.84 3gk3 s LEU 187 CO 0.30 0.06 2.93 0.00 0.23 0.00 0.00 176.35 179.87 3gk3 n ALA 188 N -0.24 6.47 -1.47 4.21 0.00 -0.67 -4.67 120.51 124.13 3gk3 n ALA 188 Ca -0.08 -2.87 -0.29 0.00 0.00 0.00 0.00 53.44 50.20 3gk3 n ALA 188 Cb 0.58 -2.23 0.12 0.00 0.00 0.00 0.00 19.45 17.92 3gk3 n ALA 188 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3gk3 s THR 189 N -1.50 2.62 0.22 0.00 -4.23 -1.26 -4.79 115.64 106.70 3gk3 s THR 189 Ca 0.60 0.20 -0.08 0.00 -1.18 0.00 0.00 61.69 61.24 3gk3 s THR 189 Cb 0.36 -2.90 0.18 0.00 1.34 0.00 0.00 72.50 71.49 3gk3 s THR 189 CO -0.17 -0.26 1.87 0.00 -0.54 0.00 0.00 174.62 175.51 3gk3 h ALA 190 N -1.33 1.05 -0.31 3.99 0.00 -1.97 -1.91 119.26 118.78 3gk3 h ALA 190 Ca -0.49 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.45 3gk3 h ALA 190 Cb 1.29 -0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.73 3gk3 h ALA 190 CO 0.59 0.34 -0.43 0.00 0.00 0.00 0.00 179.25 179.75 3gk3 h MET 191 N 1.00 -0.37 0.00 0.00 3.00 -1.96 -2.91 114.93 113.70 3gk3 h MET 191 Ca 0.32 0.03 -0.08 0.00 0.00 0.00 0.00 59.70 59.96 3gk3 h MET 191 Cb 0.01 0.08 -0.01 0.00 0.00 0.00 0.00 31.60 31.68 3gk3 h MET 191 CO -0.11 -0.25 -0.40 0.28 0.00 0.00 0.00 176.91 176.43 3gk3 h VAL 192 N -0.39 1.26 0.00 -0.10 2.07 -1.66 -1.65 116.25 115.79 3gk3 h VAL 192 Ca 0.11 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.25 3gk3 h VAL 192 Cb 0.60 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 3gk3 h VAL 192 CO -0.52 0.39 0.00 -0.62 0.02 0.00 0.00 177.57 176.85 3gk3 n GLU 193 N -4.02 0.09 0.09 1.57 1.02 -0.78 -2.82 120.64 115.78 3gk3 n GLU 193 Ca -0.02 0.30 -0.09 0.00 -0.02 0.00 0.00 57.16 57.34 3gk3 n GLU 193 Cb 0.44 -1.67 -0.02 0.00 -0.02 0.00 0.00 31.44 30.17 3gk3 n GLU 193 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gk3 h ALA 194 N 2.44 0.49 -2.00 0.62 0.00 -1.12 -3.44 119.26 116.26 3gk3 h ALA 194 Ca 0.00 -0.75 -0.62 0.00 0.00 0.00 0.00 54.91 53.54 3gk3 h ALA 194 Cb 0.34 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.07 3gk3 h ALA 194 CO 0.00 0.95 1.12 0.28 0.00 0.00 0.00 179.25 181.60 3gk3 n VAL 195 N -3.62 0.57 -1.51 0.00 0.31 -1.13 -4.88 118.33 108.07 3gk3 n VAL 195 Ca -0.03 -0.12 -0.52 0.00 -0.01 0.00 0.00 64.34 63.65 3gk3 n VAL 195 Cb 0.83 -1.89 -0.05 0.00 -0.91 0.00 0.00 33.84 31.82 3gk3 n VAL 195 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3gk3 n PRO 196 N 6.77 0.48 -0.38 5.55 -0.02 -1.26 -4.67 135.00 141.48 3gk3 n PRO 196 Ca 0.23 0.17 -0.08 0.00 -2.02 0.00 0.00 63.50 61.81 3gk3 n PRO 196 Cb 0.30 -1.56 -0.06 0.00 -0.02 0.00 0.00 33.50 32.16 3gk3 n PRO 196 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gk3 n GLN 197 N 1.52 -0.35 -0.11 -0.52 0.00 -1.26 -1.03 117.38 115.63 3gk3 n GLN 197 Ca 0.18 1.39 0.09 0.00 0.00 0.00 0.00 57.00 58.65 3gk3 n GLN 197 Cb 0.19 -2.04 0.44 0.00 0.00 0.00 0.00 30.24 28.82 3gk3 n GLN 197 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.06 177.44 3gk3 h ASP 198 N 0.00 0.49 -0.12 2.61 2.03 -1.99 -0.32 116.42 119.12 3gk3 h ASP 198 Ca 0.19 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.46 3gk3 h ASP 198 Cb 0.42 -0.10 -0.00 0.00 -0.83 0.00 0.00 39.33 38.82 3gk3 h ASP 198 CO -0.87 0.31 -0.05 0.58 -1.03 0.00 0.00 179.24 178.18 3gk3 h VAL 199 N 0.55 1.31 0.00 4.15 2.07 -1.42 -1.52 116.25 121.39 3gk3 h VAL 199 Ca 0.27 -1.05 -0.10 0.00 0.82 0.00 0.00 66.70 66.64 3gk3 h VAL 199 Cb 0.36 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 3gk3 h VAL 199 CO -0.08 0.30 -0.49 0.17 0.02 0.00 0.00 177.57 177.49 3gk3 h LEU 200 N -0.09 0.00 -1.25 2.57 -0.00 -0.53 0.23 115.31 116.24 3gk3 h LEU 200 Ca 0.03 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.84 3gk3 h LEU 200 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.15 3gk3 h LEU 200 CO 0.02 0.49 -0.29 -0.33 -0.00 0.00 0.00 178.44 178.33 3gk3 h GLU 201 N 0.00 0.14 0.03 0.17 5.08 -1.09 0.44 114.58 119.35 3gk3 h GLU 201 Ca -0.00 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 3gk3 h GLU 201 Cb 0.94 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.18 3gk3 h GLU 201 CO 0.06 0.42 -0.22 0.00 -1.00 0.00 0.00 179.01 178.28 3gk3 h ALA 202 N 1.58 -0.01 0.00 3.43 0.00 -0.72 -3.38 119.26 120.16 3gk3 h ALA 202 Ca 0.02 -0.56 -0.19 0.00 0.00 0.00 0.00 54.91 54.17 3gk3 h ALA 202 Cb 0.58 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 3gk3 h ALA 202 CO 0.04 0.10 -1.92 0.36 0.00 0.00 0.00 179.25 177.84 3gk3 n LYS 203 N -4.49 1.32 -0.09 0.00 0.00 0.75 -4.72 118.16 110.92 3gk3 n LYS 203 Ca -0.11 -0.04 -0.12 0.00 -0.00 0.00 0.00 58.31 58.03 3gk3 n LYS 203 Cb 0.56 -1.37 -0.04 0.00 -0.00 0.00 0.00 35.03 34.18 3gk3 n LYS 203 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 3gk3 n ILE 204 N -2.40 1.45 0.07 0.58 2.08 0.13 -4.64 119.36 116.63 3gk3 n ILE 204 Ca -0.18 0.06 0.07 0.00 0.56 0.00 0.00 62.75 63.26 3gk3 n ILE 204 Cb 0.82 -2.18 0.51 0.00 -0.75 0.00 0.00 39.64 38.04 3gk3 n ILE 204 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 3gk3 h LEU 205 N -0.89 0.29 -0.66 1.39 3.38 -0.46 -0.70 115.31 117.66 3gk3 h LEU 205 Ca -0.13 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3gk3 h LEU 205 Cb 1.03 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3gk3 h LEU 205 CO -0.08 0.21 0.00 -2.65 0.09 0.00 0.00 178.44 176.01 3gk3 n PRO 206 N -4.49 0.17 0.15 1.13 -0.02 -1.26 -1.58 135.00 129.11 3gk3 n PRO 206 Ca 0.03 0.42 0.03 0.00 -2.02 0.00 0.00 63.50 61.95 3gk3 n PRO 206 Cb 0.14 -1.84 0.12 0.00 -0.02 0.00 0.00 33.50 31.90 3gk3 n PRO 206 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3gk3 h GLN 207 N 0.00 0.00 -4.49 -0.52 4.20 -1.38 -3.44 115.11 109.48 3gk3 h GLN 207 Ca 0.00 0.00 -0.72 0.00 0.06 0.00 0.00 58.65 57.99 3gk3 h GLN 207 Cb 0.34 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 27.88 3gk3 h GLN 207 CO 0.00 0.49 -0.45 0.42 -0.67 0.00 0.00 178.83 178.61 3gk3 s ILE 208 N -3.15 4.81 0.28 2.54 1.01 -0.61 -4.29 121.20 121.78 3gk3 s ILE 208 Ca 0.03 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.75 3gk3 s ILE 208 Cb 0.09 -3.76 0.27 0.00 0.01 0.00 0.00 42.46 39.07 3gk3 s ILE 208 CO 0.73 -0.36 1.79 -0.65 0.00 0.00 0.00 174.94 176.45 3gk3 h PRO 209 N 8.54 0.78 0.00 2.79 0.11 -1.78 0.46 132.00 142.89 3gk3 h PRO 209 Ca -0.26 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3gk3 h PRO 209 Cb 1.10 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3gk3 h PRO 209 CO 0.74 0.51 0.00 0.28 -0.21 0.00 0.00 178.00 179.32 3gk3 n VAL 210 N -4.75 1.69 -1.21 3.15 0.31 -0.86 -4.86 118.33 111.80 3gk3 n VAL 210 Ca 0.20 0.51 -0.07 0.00 -0.01 0.00 0.00 64.34 64.96 3gk3 n VAL 210 Cb 0.45 -1.48 -0.03 0.00 -0.91 0.00 0.00 33.84 31.87 3gk3 n VAL 210 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gk3 n GLY 211 N -1.26 0.91 3.36 2.92 0.00 0.16 -4.99 105.19 106.30 3gk3 n GLY 211 Ca 0.00 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 3gk3 n GLY 211 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gk3 s ARG 212 N -2.36 0.95 0.35 1.61 1.70 -1.26 -5.01 118.95 114.93 3gk3 s ARG 212 Ca 0.00 -0.23 -0.28 0.00 -0.47 0.00 0.00 55.73 54.75 3gk3 s ARG 212 Cb 0.00 0.43 -0.12 0.00 -0.57 0.00 0.00 34.95 34.69 3gk3 s ARG 212 CO 0.00 -0.33 1.25 1.28 -1.08 0.00 0.00 175.30 176.43 3gk3 n LEU 213 N 0.58 3.42 -4.75 -1.89 4.77 -1.26 -4.98 117.00 112.89 3gk3 n LEU 213 Ca -0.19 1.19 -0.40 0.00 -0.03 0.00 0.00 56.01 56.58 3gk3 n LEU 213 Cb 0.59 -1.46 -0.05 0.00 -2.33 0.00 0.00 43.42 40.17 3gk3 n LEU 213 CO 0.20 -0.62 0.47 -0.83 -1.33 0.00 0.00 177.39 175.28 3gk3 s GLY 214 N -0.38 2.80 0.51 -0.72 0.00 -0.29 -4.76 107.32 104.48 3gk3 s GLY 214 Ca 0.57 0.29 -0.21 0.00 0.00 0.00 0.00 44.72 45.36 3gk3 s GLY 214 CO 0.61 1.06 1.15 0.50 0.00 0.00 0.00 173.10 176.43 3gk3 s ARG 215 N -0.18 3.50 0.47 2.90 0.52 -1.26 -1.68 118.95 123.22 3gk3 s ARG 215 Ca 0.38 1.71 0.23 0.00 -0.52 0.00 0.00 55.73 57.53 3gk3 s ARG 215 Cb -0.21 -2.18 1.14 0.00 0.52 0.00 0.00 34.95 34.23 3gk3 s ARG 215 CO 0.23 -0.75 1.95 -1.35 0.02 0.00 0.00 175.30 175.40 3gk3 h PRO 216 N 1.56 0.00 -0.87 3.54 0.11 -1.92 -2.83 132.00 131.59 3gk3 h PRO 216 Ca -0.50 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.66 3gk3 h PRO 216 Cb 1.26 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.31 3gk3 h PRO 216 CO 0.58 0.21 0.55 0.22 -0.21 0.00 0.00 178.00 179.35 3gk3 h ASP 217 N 0.00 0.90 -0.45 -2.05 3.58 -1.91 0.67 116.42 117.16 3gk3 h ASP 217 Ca -0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 3gk3 h ASP 217 Cb 0.52 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.36 3gk3 h ASP 217 CO 0.03 0.60 0.23 -0.33 -2.88 0.00 0.00 179.24 176.89 3gk3 h GLU 218 N 1.05 0.65 -0.55 0.28 5.08 -1.89 0.84 114.58 120.04 3gk3 h GLU 218 Ca 0.36 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.57 3gk3 h GLU 218 Cb 0.07 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3gk3 h GLU 218 CO -0.14 0.54 0.08 0.28 -1.00 0.00 0.00 179.01 178.77 3gk3 h VAL 219 N 0.59 1.26 -0.94 3.13 2.07 -1.43 -0.37 116.25 120.56 3gk3 h VAL 219 Ca 0.16 -0.97 0.03 0.00 0.82 0.00 0.00 66.70 66.73 3gk3 h VAL 219 Cb 0.09 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 3gk3 h VAL 219 CO -0.02 0.35 0.62 0.00 0.02 0.00 0.00 177.57 178.54 3gk3 h ALA 220 N 0.99 1.23 -0.06 1.67 0.00 -0.30 -1.05 119.26 121.75 3gk3 h ALA 220 Ca 0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3gk3 h ALA 220 Cb 0.42 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3gk3 h ALA 220 CO 0.01 0.52 0.02 0.00 0.00 0.00 0.00 179.25 179.80 3gk3 h ALA 221 N 1.37 0.07 -0.65 0.00 0.00 0.20 0.19 119.26 120.44 3gk3 h ALA 221 Ca 0.36 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.28 3gk3 h ALA 221 Cb -0.05 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.64 3gk3 h ALA 221 CO -0.11 -0.32 0.22 1.25 0.00 0.00 0.00 179.25 180.29 3gk3 h LEU 222 N -0.10 0.18 -0.69 0.00 5.85 -0.87 -1.79 115.31 117.89 3gk3 h LEU 222 Ca 0.02 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 3gk3 h LEU 222 Cb 0.20 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3gk3 h LEU 222 CO -0.00 0.10 0.12 0.40 -0.34 0.00 0.00 178.44 178.72 3gk3 h ILE 223 N 0.38 1.26 -0.99 4.05 2.04 -0.60 -1.93 117.51 121.73 3gk3 h ILE 223 Ca 0.34 -1.03 0.07 0.00 1.00 0.00 0.00 64.86 65.24 3gk3 h ILE 223 Cb 0.47 0.60 -0.07 0.00 -0.74 0.00 0.00 36.82 37.08 3gk3 h ILE 223 CO -0.36 0.39 0.63 0.00 0.00 0.00 0.00 178.15 178.82 3gk3 h ALA 224 N 1.06 1.39 -0.46 1.87 0.00 0.10 -0.78 119.26 122.44 3gk3 h ALA 224 Ca 0.21 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3gk3 h ALA 224 Cb 0.43 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3gk3 h ALA 224 CO 0.01 0.40 0.27 0.35 0.00 0.00 0.00 179.25 180.28 3gk3 h PHE 225 N 1.14 0.60 0.00 0.00 3.57 -0.96 -3.06 116.94 118.24 3gk3 h PHE 225 Ca 0.43 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.87 3gk3 h PHE 225 Cb 0.20 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3gk3 h PHE 225 CO -0.01 0.43 -0.29 -0.07 -2.23 0.00 0.00 178.31 176.15 3gk3 h LEU 226 N 0.60 0.00 -0.10 0.59 3.38 -0.41 -2.68 115.31 116.70 3gk3 h LEU 226 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3gk3 h LEU 226 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3gk3 h LEU 226 CO -0.03 0.29 -0.09 0.00 0.09 0.00 0.00 178.44 178.70 3gk3 s SER 228 N -2.63 5.55 0.52 0.00 1.04 -1.01 -4.90 113.70 112.27 3gk3 s SER 228 Ca 0.25 1.33 0.19 0.00 0.48 0.00 0.00 55.95 58.20 3gk3 s SER 228 Cb 0.20 -2.21 1.35 0.00 0.10 0.00 0.00 66.02 65.46 3gk3 s SER 228 CO 0.50 -1.30 2.15 0.44 0.98 0.00 0.00 173.24 176.01 3gk3 h ASP 229 N -0.62 0.00 0.11 7.02 3.32 -1.90 -2.54 116.42 121.82 3gk3 h ASP 229 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3gk3 h ASP 229 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3gk3 h ASP 229 CO 0.61 0.03 0.00 0.44 -1.72 0.00 0.00 179.24 178.60 3gk3 h ASP 230 N 0.00 0.00 -0.51 6.45 3.32 -1.94 -3.05 116.42 120.69 3gk3 h ASP 230 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gk3 h ASP 230 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3gk3 h ASP 230 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 3gk3 n ALA 231 N -2.05 3.27 0.31 3.45 0.00 -0.95 -4.63 120.51 119.91 3gk3 n ALA 231 Ca -0.02 -1.84 0.21 0.00 0.00 0.00 0.00 53.44 51.78 3gk3 n ALA 231 Cb 0.09 -0.94 1.07 0.00 0.00 0.00 0.00 19.45 19.68 3gk3 n ALA 231 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3gk3 h GLY 232 N 3.39 0.00 -0.51 0.00 0.00 -1.70 -0.98 103.07 103.26 3gk3 h GLY 232 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gk3 h GLY 232 CO 0.30 0.00 -0.23 0.33 0.00 0.00 0.00 176.54 176.94 3gk3 n PHE 233 N -2.96 0.00 -2.96 5.60 7.35 -1.26 -4.74 117.46 118.48 3gk3 n PHE 233 Ca -0.02 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.23 3gk3 n PHE 233 Cb 0.09 -0.05 -0.04 0.00 0.35 0.00 0.00 39.48 39.83 3gk3 n PHE 233 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3gk3 s VAL 234 N -2.33 4.53 -0.03 -2.13 1.01 -0.37 -5.04 120.40 116.04 3gk3 s VAL 234 Ca 0.26 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 3gk3 s VAL 234 Cb 0.19 -4.58 0.01 0.00 0.00 0.00 0.00 36.38 32.00 3gk3 s VAL 234 CO 0.47 -1.27 0.13 0.28 0.00 0.00 0.00 175.10 174.71 3gk3 s THR 235 N 3.49 0.04 -0.83 3.92 -1.32 -1.26 -4.61 115.64 115.07 3gk3 s THR 235 Ca 0.19 -0.35 0.00 0.00 -1.21 0.00 0.00 61.69 60.31 3gk3 s THR 235 Cb -0.19 -0.31 0.00 0.00 -1.51 0.00 0.00 72.50 70.49 3gk3 s THR 235 CO 0.10 -0.19 0.00 0.61 -2.21 0.00 0.00 174.62 172.92 3gk3 n GLY 236 N 2.25 0.65 3.79 6.08 0.00 0.95 -4.97 105.19 113.93 3gk3 n GLY 236 Ca -0.18 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 3gk3 n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gk3 s ALA 237 N -2.36 3.60 -0.31 4.61 0.00 -1.26 -4.77 121.76 121.27 3gk3 s ALA 237 Ca 0.00 -1.00 -0.07 0.00 0.00 0.00 0.00 51.96 50.89 3gk3 s ALA 237 Cb 0.00 -1.47 0.02 0.00 0.00 0.00 0.00 23.12 21.67 3gk3 s ALA 237 CO 0.00 0.75 0.09 0.34 0.00 0.00 0.00 175.76 176.95 3gk3 s ASP 238 N -2.41 5.21 -0.31 0.00 2.15 -1.26 -1.03 116.67 119.02 3gk3 s ASP 238 Ca 0.30 -0.87 -0.14 0.00 0.43 0.00 0.00 52.55 52.26 3gk3 s ASP 238 Cb -0.12 -1.88 -0.03 0.00 -0.30 0.00 0.00 42.92 40.59 3gk3 s ASP 238 CO 0.23 -0.25 0.33 -0.76 -0.17 0.00 0.00 175.17 174.55 3gk3 s LEU 239 N 1.47 4.23 -0.24 -1.34 1.43 -0.30 -4.94 118.68 118.98 3gk3 s LEU 239 Ca 0.01 -0.02 -0.14 0.00 -1.03 0.00 0.00 54.13 52.95 3gk3 s LEU 239 Cb -0.18 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 3gk3 s LEU 239 CO 0.03 -0.23 0.30 0.00 0.23 0.00 0.00 176.35 176.68 3gk3 s ALA 240 N 1.97 3.57 -0.51 4.21 0.00 -1.26 -1.03 121.76 128.71 3gk3 s ALA 240 Ca 0.12 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.33 3gk3 s ALA 240 Cb -0.16 -2.56 0.16 0.00 0.00 0.00 0.00 23.12 20.56 3gk3 s ALA 240 CO 0.11 -0.42 0.36 -1.50 0.00 0.00 0.00 175.76 174.31 3gk3 s ILE 241 N 1.54 1.42 -0.02 0.00 2.07 -0.62 -4.91 121.20 120.68 3gk3 s ILE 241 Ca 0.13 -3.12 0.02 0.00 -1.41 0.00 0.00 60.65 56.28 3gk3 s ILE 241 Cb -0.15 -1.96 0.03 0.00 0.13 0.00 0.00 42.46 40.51 3gk3 s ILE 241 CO 0.08 -1.07 0.80 -0.46 -1.91 0.00 0.00 174.94 172.38 3gk3 n ASN 242 N 2.78 0.77 -0.25 4.50 0.23 -1.26 -1.95 115.26 120.08 3gk3 n ASN 242 Ca 0.21 -1.69 -0.03 0.00 -0.53 0.00 0.00 54.58 52.53 3gk3 n ASN 242 Cb 0.40 -0.09 -0.01 0.00 -2.08 0.00 0.00 39.78 38.00 3gk3 n ASN 242 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gk3 n GLY 243 N -0.29 0.61 1.67 4.83 0.00 -1.26 -2.02 105.19 108.73 3gk3 n GLY 243 Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3gk3 n GLY 243 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gk3 n GLY 244 N -1.85 0.91 0.34 -0.02 0.00 -1.26 -2.03 105.19 101.28 3gk3 n GLY 244 Ca -0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.10 3gk3 n GLY 244 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3gk3 h MET 245 N 3.74 0.67 -3.89 1.61 1.85 -1.59 -3.41 114.93 113.91 3gk3 h MET 245 Ca 0.00 -0.04 -0.27 0.00 -0.61 0.00 0.00 59.70 58.78 3gk3 h MET 245 Cb 0.00 -0.15 -0.29 0.00 0.43 0.00 0.00 31.60 31.59 3gk3 h MET 245 CO 0.00 0.44 -0.73 -1.58 -0.40 0.00 0.00 176.91 174.64 3gk3 s HIS 246 N -5.90 0.17 0.04 1.39 5.65 -1.26 -4.96 115.29 110.42 3gk3 s HIS 246 Ca -0.12 -0.02 0.00 0.00 0.25 0.00 0.00 55.06 55.18 3gk3 s HIS 246 Cb 0.24 -0.14 -0.03 0.00 -1.18 0.00 0.00 32.58 31.48 3gk3 s HIS 246 CO 0.79 -0.02 -0.04 -1.64 -0.65 0.00 0.00 174.74 173.18 3gk3 s MET 247 N 0.11 0.47 0.00 2.88 -1.94 -1.26 -4.93 119.30 114.63 3gk3 s MET 247 Ca -0.01 -0.84 0.00 0.00 -1.71 0.00 0.00 55.69 53.13 3gk3 s MET 247 Cb -0.02 0.02 0.00 0.00 2.01 0.00 0.00 34.83 36.83 3gk3 s MET 247 CO -0.00 -0.04 0.00 -1.13 -0.01 0.00 0.00 175.02 173.84