#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gk3 n LYS 4 N 0.00 0.61 -1.45 0.00 4.81 -1.26 -4.87 118.16 116.00 3gk3 n LYS 4 Ca 0.00 0.16 -0.49 0.00 -0.87 0.00 0.00 58.31 57.11 3gk3 n LYS 4 Cb 0.00 -2.05 -0.04 0.00 0.02 0.00 0.00 35.03 32.96 3gk3 n LYS 4 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3gk3 n ARG 5 N 7.92 0.21 -4.91 1.64 0.63 -1.26 -4.54 116.66 116.35 3gk3 n ARG 5 Ca 0.47 0.07 -0.33 0.00 -0.92 0.00 0.00 57.85 57.15 3gk3 n ARG 5 Cb 0.12 -1.22 -0.15 0.00 0.45 0.00 0.00 32.46 31.66 3gk3 n ARG 5 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3gk3 s VAL 6 N -0.81 2.76 0.06 5.15 1.01 -1.26 -0.76 120.40 126.55 3gk3 s VAL 6 Ca 0.68 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.97 3gk3 s VAL 6 Cb -0.95 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 3gk3 s VAL 6 CO 0.56 0.54 -0.18 0.00 0.00 0.00 0.00 175.10 176.02 3gk3 s ALA 7 N 0.32 2.63 -0.09 5.51 0.00 0.09 -0.88 121.76 129.35 3gk3 s ALA 7 Ca -0.13 -1.23 0.03 0.00 0.00 0.00 0.00 51.96 50.64 3gk3 s ALA 7 Cb -0.16 -0.73 -0.01 0.00 0.00 0.00 0.00 23.12 22.22 3gk3 s ALA 7 CO 0.07 0.58 -0.20 0.12 0.00 0.00 0.00 175.76 176.32 3gk3 s PHE 8 N -0.99 2.61 -0.31 0.00 5.36 -0.20 -1.44 117.98 123.01 3gk3 s PHE 8 Ca 0.16 -0.73 0.01 0.00 -0.96 0.00 0.00 56.93 55.41 3gk3 s PHE 8 Cb -0.11 -1.70 0.09 0.00 -0.34 0.00 0.00 43.02 40.96 3gk3 s PHE 8 CO 0.07 -0.23 0.05 0.08 -1.46 0.00 0.00 175.22 173.73 3gk3 s VAL 9 N 0.06 1.58 0.56 3.12 1.01 0.23 -1.00 120.40 125.97 3gk3 s VAL 9 Ca -0.08 -1.76 -0.19 0.00 0.00 0.00 0.00 61.98 59.95 3gk3 s VAL 9 Cb -0.15 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 3gk3 s VAL 9 CO 0.05 -0.54 1.12 0.42 0.00 0.00 0.00 175.10 176.16 3gk3 s THR 10 N 1.28 3.23 -1.68 3.92 -4.23 -0.50 -1.74 115.64 115.91 3gk3 s THR 10 Ca 0.07 0.72 0.00 0.00 -1.18 0.00 0.00 61.69 61.30 3gk3 s THR 10 Cb -0.18 -3.26 0.00 0.00 1.34 0.00 0.00 72.50 70.39 3gk3 s THR 10 CO -0.14 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 3gk3 n GLY 11 N -0.02 -0.05 0.00 3.99 0.00 -1.15 -3.09 105.19 104.88 3gk3 n GLY 11 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.84 -0.38 0.64 -0.02 0.00 -0.65 -1.97 105.19 101.97 3gk3 n GLY 12 Ca -0.22 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.27 1.99 -2.27 1.61 2.81 -1.26 -2.53 117.12 116.20 3gk3 n MET 13 Ca 0.02 -1.77 -0.26 0.00 -1.81 0.00 0.00 57.70 53.88 3gk3 n MET 13 Cb 0.03 -1.28 0.13 0.00 -0.71 0.00 0.00 33.22 31.39 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 -1.02 1.76 0.09 3.03 0.00 -0.83 -4.57 107.32 105.76 3gk3 s GLY 14 Ca 0.22 -1.38 -0.22 0.00 0.00 0.00 0.00 44.72 43.34 3gk3 s GLY 14 CO 0.17 -0.76 1.37 -1.33 0.00 0.00 0.00 173.10 172.54 3gk3 h GLY 15 N -0.96 -1.31 0.79 0.20 0.00 -1.95 0.29 103.07 100.13 3gk3 h GLY 15 Ca -0.41 0.74 -0.16 0.00 0.00 0.00 0.00 47.33 47.50 3gk3 h GLY 15 CO 0.43 -0.33 -0.63 -2.00 0.00 0.00 0.00 176.54 174.02 3gk3 h LEU 16 N -0.30 0.53 -0.98 3.11 5.85 -1.92 -3.07 115.31 118.54 3gk3 h LEU 16 Ca 0.04 -0.77 0.21 0.00 0.84 0.00 0.00 57.88 58.20 3gk3 h LEU 16 Cb 0.41 -0.16 -0.11 0.00 0.37 0.00 0.00 40.66 41.16 3gk3 h LEU 16 CO -0.38 1.24 0.57 1.23 -0.34 0.00 0.00 178.44 180.76 3gk3 h GLY 17 N -0.11 1.78 0.94 3.75 0.00 -1.72 -0.43 103.07 107.28 3gk3 h GLY 17 Ca -0.08 -0.31 -0.11 0.00 0.00 0.00 0.00 47.33 46.83 3gk3 h GLY 17 CO 0.12 -0.16 -0.24 0.00 0.00 0.00 0.00 176.54 176.27 3gk3 h ALA 18 N 1.68 0.41 -0.75 3.60 0.00 -0.12 -1.73 119.26 122.34 3gk3 h ALA 18 Ca 0.59 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3gk3 h ALA 18 Cb 1.02 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 3gk3 h ALA 18 CO -0.43 0.38 0.44 0.00 0.00 0.00 0.00 179.25 179.64 3gk3 h ALA 19 N 0.71 1.36 -0.05 0.00 0.00 -1.18 -1.43 119.26 118.68 3gk3 h ALA 19 Ca 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3gk3 h ALA 19 Cb 0.80 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3gk3 h ALA 19 CO 0.06 0.54 0.01 0.82 0.00 0.00 0.00 179.25 180.68 3gk3 h ILE 20 N 1.04 1.21 -0.51 0.00 2.04 -0.84 -2.57 117.51 117.89 3gk3 h ILE 20 Ca 0.27 -0.64 0.03 0.00 1.00 0.00 0.00 64.86 65.52 3gk3 h ILE 20 Cb -0.03 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 3gk3 h ILE 20 CO -0.05 0.18 0.29 0.28 0.00 0.00 0.00 178.15 178.84 3gk3 h SER 21 N -0.17 0.44 -0.02 1.72 0.02 -0.78 -1.49 113.55 113.27 3gk3 h SER 21 Ca 0.01 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.00 3gk3 h SER 21 Cb 0.27 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 3gk3 h SER 21 CO 0.00 0.31 -0.13 0.03 -1.14 0.00 0.00 176.83 175.90 3gk3 h ARG 22 N 0.56 -0.20 -0.80 3.45 3.08 -1.17 0.23 114.38 119.54 3gk3 h ARG 22 Ca 0.21 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.35 3gk3 h ARG 22 Cb 0.06 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 3gk3 h ARG 22 CO -0.12 -0.13 0.47 0.00 -1.07 0.00 0.00 179.97 179.12 3gk3 h ARG 23 N -0.21 0.81 -0.02 0.04 2.47 -1.10 0.19 114.38 116.56 3gk3 h ARG 23 Ca 0.05 -0.05 -0.17 0.00 -1.26 0.00 0.00 59.98 58.56 3gk3 h ARG 23 Cb 0.28 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 3gk3 h ARG 23 CO -0.15 0.54 -0.75 -0.07 0.56 0.00 0.00 179.97 180.11 3gk3 h LEU 24 N 0.84 0.20 -0.08 3.04 3.38 -0.97 -1.69 115.31 120.04 3gk3 h LEU 24 Ca 0.36 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 3gk3 h LEU 24 Cb 0.24 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3gk3 h LEU 24 CO -0.20 0.87 -0.10 -0.74 0.09 0.00 0.00 178.44 178.36 3gk3 h HIS 25 N 0.10 0.25 0.00 1.13 2.76 -0.41 -2.22 115.15 116.77 3gk3 h HIS 25 Ca -0.02 -0.08 -0.00 0.00 -2.20 0.00 0.00 60.37 58.06 3gk3 h HIS 25 Cb 1.32 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 30.22 3gk3 h HIS 25 CO 0.02 0.67 -0.02 -0.44 -1.30 0.00 0.00 177.93 176.86 3gk3 h ASP 26 N -0.24 0.00 0.41 3.26 3.32 -0.50 0.24 116.42 122.91 3gk3 h ASP 26 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3gk3 h ASP 26 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 3gk3 h ASP 26 CO 0.02 0.02 -0.02 0.00 -1.72 0.00 0.00 179.24 177.54 3gk3 n ALA 27 N -2.12 2.57 -0.00 3.45 0.00 -0.65 -4.89 120.51 118.87 3gk3 n ALA 27 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3gk3 n ALA 27 Cb 0.17 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 1.22 0.43 3.75 0.00 0.00 0.07 -5.08 105.19 105.59 3gk3 n GLY 28 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.00 4.73 0.01 1.61 -1.94 -0.84 -4.68 119.30 117.19 3gk3 s MET 29 Ca 0.00 1.67 -0.30 0.00 -1.71 0.00 0.00 55.69 55.35 3gk3 s MET 29 Cb 0.00 -3.23 -0.05 0.00 2.01 0.00 0.00 34.83 33.56 3gk3 s MET 29 CO 0.00 0.34 1.21 0.00 -0.01 0.00 0.00 175.02 176.56 3gk3 s ALA 30 N -1.15 3.44 -0.13 3.03 0.00 0.06 -4.21 121.76 122.80 3gk3 s ALA 30 Ca 0.43 0.77 0.01 0.00 0.00 0.00 0.00 51.96 53.17 3gk3 s ALA 30 Cb -0.29 -3.48 -0.00 0.00 0.00 0.00 0.00 23.12 19.34 3gk3 s ALA 30 CO 0.37 -0.59 -0.18 0.08 0.00 0.00 0.00 175.76 175.45 3gk3 s VAL 31 N 1.58 2.57 -0.15 0.00 1.01 -1.26 -0.73 120.40 123.41 3gk3 s VAL 31 Ca 0.58 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 3gk3 s VAL 31 Cb -0.28 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 3gk3 s VAL 31 CO 0.26 0.53 -0.10 0.00 0.00 0.00 0.00 175.10 175.80 3gk3 s ALA 32 N 0.53 2.70 0.09 5.51 0.00 -0.52 -2.77 121.76 127.31 3gk3 s ALA 32 Ca -0.11 -0.95 0.07 0.00 0.00 0.00 0.00 51.96 50.97 3gk3 s ALA 32 Cb -0.16 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 3gk3 s ALA 32 CO 0.04 0.08 -0.13 0.14 0.00 0.00 0.00 175.76 175.90 3gk3 s VAL 33 N 0.62 3.20 0.18 0.00 -7.23 -0.58 -0.60 120.40 115.99 3gk3 s VAL 33 Ca -0.06 -1.28 0.07 0.00 -1.81 0.00 0.00 61.98 58.91 3gk3 s VAL 33 Cb -0.15 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 3gk3 s VAL 33 CO 0.03 0.16 0.01 -0.94 -0.31 0.00 0.00 175.10 174.04 3gk3 s SER 34 N -2.05 4.79 0.03 4.85 1.04 -0.71 -1.05 113.70 120.60 3gk3 s SER 34 Ca 0.19 -0.39 -0.16 0.00 0.48 0.00 0.00 55.95 56.07 3gk3 s SER 34 Cb -0.11 -1.03 0.03 0.00 0.10 0.00 0.00 66.02 65.01 3gk3 s SER 34 CO 0.11 0.08 0.36 -1.38 0.98 0.00 0.00 173.24 173.40 3gk3 s HIS 35 N -1.75 -0.19 -0.01 5.02 -0.00 -0.03 -1.64 115.29 116.69 3gk3 s HIS 35 Ca 0.28 0.15 -0.02 0.00 -0.00 0.00 0.00 55.06 55.46 3gk3 s HIS 35 Cb -0.09 0.15 -0.27 0.00 -0.00 0.00 0.00 32.58 32.37 3gk3 s HIS 35 CO 0.19 -0.51 0.81 1.03 -0.00 0.00 0.00 174.74 176.26 3gk3 h SER 36 N 3.25 0.37 0.00 7.38 0.87 -1.86 -1.08 113.55 122.47 3gk3 h SER 36 Ca -0.31 -0.54 0.00 0.00 -1.23 0.00 0.00 61.79 59.71 3gk3 h SER 36 Cb 1.20 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 3gk3 h SER 36 CO 0.44 1.45 0.00 -0.67 -0.53 0.00 0.00 176.83 177.52 3gk3 n ASP 40 N -3.43 0.00 -2.58 6.23 2.03 -1.26 -4.72 116.55 112.83 3gk3 n ASP 40 Ca -0.17 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.02 3gk3 n ASP 40 Cb 1.04 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 41.47 3gk3 n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gk3 n HIS 41 N 0.00 1.85 0.22 -0.67 1.44 -1.26 -4.80 115.22 111.99 3gk3 n HIS 41 Ca 0.00 -2.50 0.08 0.00 -2.01 0.00 0.00 57.72 53.29 3gk3 n HIS 41 Cb 0.00 -0.27 0.47 0.00 0.12 0.00 0.00 29.99 30.31 3gk3 n HIS 41 CO 0.00 0.00 0.00 -0.39 -2.81 0.00 0.00 176.34 173.14 3gk3 h VAL 42 N 3.71 0.73 0.31 0.61 -1.51 -2.03 -2.69 116.25 115.39 3gk3 h VAL 42 Ca 0.04 -1.14 -0.00 0.00 -1.23 0.00 0.00 66.70 64.36 3gk3 h VAL 42 Cb 1.24 1.72 -0.02 0.00 -2.13 0.00 0.00 31.29 32.11 3gk3 h VAL 42 CO 0.49 0.26 -0.27 0.28 -1.23 0.00 0.00 177.57 177.10 3gk3 h SER 43 N 0.00 -0.73 -0.63 4.19 0.02 -1.99 0.16 113.55 114.57 3gk3 h SER 43 Ca -0.00 0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.05 3gk3 h SER 43 Cb 0.70 0.24 -0.05 0.00 0.14 0.00 0.00 62.40 63.44 3gk3 h SER 43 CO 0.03 -0.40 0.38 0.74 -1.14 0.00 0.00 176.83 176.44 3gk3 h THR 44 N -0.61 1.04 -0.25 -2.27 2.02 -1.94 0.84 112.91 111.74 3gk3 h THR 44 Ca -0.02 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 3gk3 h THR 44 Cb 0.54 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 3gk3 h THR 44 CO -0.03 0.13 0.06 -0.25 0.37 0.00 0.00 175.52 175.80 3gk3 h TRP 45 N 0.72 0.42 -0.80 3.16 7.01 -1.28 -1.72 115.95 123.47 3gk3 h TRP 45 Ca 0.27 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.21 3gk3 h TRP 45 Cb 0.08 -0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 26.98 3gk3 h TRP 45 CO -0.06 0.49 0.46 -0.07 -2.79 0.00 0.00 178.44 176.47 3gk3 h LEU 46 N 0.24 0.99 0.16 0.65 -0.00 -0.44 -2.01 115.31 114.89 3gk3 h LEU 46 Ca 0.08 -0.08 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3gk3 h LEU 46 Cb 0.28 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.68 3gk3 h LEU 46 CO 0.00 0.78 -0.13 -0.03 -0.00 0.00 0.00 178.44 179.06 3gk3 h MET 47 N 1.11 -0.29 -0.98 1.13 4.05 -0.55 -0.49 114.93 118.90 3gk3 h MET 47 Ca 0.28 0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.78 3gk3 h MET 47 Cb 0.00 0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 30.80 3gk3 h MET 47 CO -0.05 -0.20 0.64 0.45 0.23 0.00 0.00 176.91 177.98 3gk3 h HIS 48 N -0.30 1.17 -0.09 1.39 3.86 -1.10 -0.81 115.15 119.27 3gk3 h HIS 48 Ca -0.01 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.24 3gk3 h HIS 48 Cb 0.27 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 3gk3 h HIS 48 CO -0.11 0.63 0.03 0.93 0.86 0.00 0.00 177.93 180.26 3gk3 h GLU 49 N 1.16 0.07 -0.57 2.45 4.39 -1.13 -2.07 114.58 118.87 3gk3 h GLU 49 Ca 0.41 -0.00 0.11 0.00 0.34 0.00 0.00 59.36 60.22 3gk3 h GLU 49 Cb 0.13 -0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 28.68 3gk3 h GLU 49 CO -0.15 0.04 0.09 -0.09 -1.16 0.00 0.00 179.01 177.74 3gk3 h ARG 50 N 0.07 0.21 -0.25 2.33 2.43 -0.49 0.12 114.38 118.79 3gk3 h ARG 50 Ca 0.04 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3gk3 h ARG 50 Cb 0.02 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3gk3 h ARG 50 CO -0.04 0.14 0.17 -0.44 -1.51 0.00 0.00 179.97 178.28 3gk3 h ASP 51 N 0.21 0.22 -0.18 -3.80 3.32 -0.94 0.12 116.42 115.38 3gk3 h ASP 51 Ca 0.30 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 3gk3 h ASP 51 Cb 0.45 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3gk3 h ASP 51 CO -0.41 0.16 0.00 0.00 -1.72 0.00 0.00 179.24 177.26 3gk3 n ALA 52 N -2.52 2.51 -0.34 3.45 0.00 -0.11 -4.90 120.51 118.61 3gk3 n ALA 52 Ca 0.01 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3gk3 n ALA 52 Cb 0.13 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3gk3 n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gk3 n GLY 53 N 0.99 0.82 3.46 0.00 0.00 0.03 -5.06 105.19 105.44 3gk3 n GLY 53 Ca 0.13 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.66 3.25 -0.50 1.61 0.52 -0.42 -4.98 118.95 117.77 3gk3 s ARG 54 Ca 0.00 -0.61 -0.17 0.00 -0.52 0.00 0.00 55.73 54.43 3gk3 s ARG 54 Cb 0.00 -2.68 0.08 0.00 0.52 0.00 0.00 34.95 32.87 3gk3 s ARG 54 CO 0.00 0.35 0.50 0.34 0.02 0.00 0.00 175.30 176.51 3gk3 s ASP 55 N 0.01 6.18 -0.09 0.23 2.15 -1.26 -3.16 116.67 120.73 3gk3 s ASP 55 Ca -0.02 -1.27 -0.01 0.00 0.43 0.00 0.00 52.55 51.67 3gk3 s ASP 55 Cb -0.14 -2.23 -0.03 0.00 -0.30 0.00 0.00 42.92 40.22 3gk3 s ASP 55 CO 0.04 -0.78 -0.02 -0.36 -0.17 0.00 0.00 175.17 173.87 3gk3 s PHE 56 N 2.01 3.09 -0.16 -5.34 0.08 -1.26 -4.71 117.98 111.68 3gk3 s PHE 56 Ca 0.08 0.10 -0.13 0.00 0.12 0.00 0.00 56.93 57.09 3gk3 s PHE 56 Cb -0.24 -1.79 -0.05 0.00 -0.57 0.00 0.00 43.02 40.38 3gk3 s PHE 56 CO 0.08 0.38 0.27 0.15 -0.10 0.00 0.00 175.22 175.99 3gk3 s LYS 57 N -0.71 4.23 0.09 0.44 3.01 -1.11 -5.01 119.74 120.68 3gk3 s LYS 57 Ca 0.11 0.05 0.04 0.00 -1.01 0.00 0.00 55.97 55.16 3gk3 s LYS 57 Cb -0.12 -3.42 -0.04 0.00 -1.01 0.00 0.00 37.83 33.25 3gk3 s LYS 57 CO 0.02 0.26 0.02 0.00 0.51 0.00 0.00 175.35 176.16 3gk3 s ALA 58 N 0.41 3.35 -0.02 5.17 0.00 -1.26 -1.53 121.76 127.88 3gk3 s ALA 58 Ca 0.15 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 51.02 3gk3 s ALA 58 Cb -0.13 -1.24 0.02 0.00 0.00 0.00 0.00 23.12 21.77 3gk3 s ALA 58 CO 0.03 0.71 -0.01 0.71 0.00 0.00 0.00 175.76 177.21 3gk3 s TYR 59 N -1.33 0.29 0.34 0.00 2.02 -0.22 -4.95 117.35 113.50 3gk3 s TYR 59 Ca 0.27 -0.01 -0.27 0.00 -0.37 0.00 0.00 57.07 56.69 3gk3 s TYR 59 Cb -0.12 -0.34 -0.09 0.00 -0.40 0.00 0.00 41.96 41.01 3gk3 s TYR 59 CO 0.19 -0.10 1.05 0.00 -1.57 0.00 0.00 175.55 175.12 3gk3 s ALA 60 N 0.76 3.24 -0.13 3.71 0.00 -1.26 -0.85 121.76 127.22 3gk3 s ALA 60 Ca -0.08 0.76 -0.30 0.00 0.00 0.00 0.00 51.96 52.34 3gk3 s ALA 60 Cb -0.11 -3.28 0.11 0.00 0.00 0.00 0.00 23.12 19.85 3gk3 s ALA 60 CO -0.01 -0.13 0.93 0.54 0.00 0.00 0.00 175.76 177.09 3gk3 s VAL 61 N -1.43 0.00 -0.45 0.00 0.11 -0.41 -4.75 120.40 113.47 3gk3 s VAL 61 Ca 0.51 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.45 3gk3 s VAL 61 Cb -0.26 -1.00 0.10 0.00 -1.53 0.00 0.00 36.38 33.69 3gk3 s VAL 61 CO 0.33 0.00 0.32 -0.62 -3.33 0.00 0.00 175.10 171.80 3gk3 s ASP 62 N -1.25 5.76 0.47 3.54 2.15 -1.26 -4.01 116.67 122.07 3gk3 s ASP 62 Ca -0.03 -1.65 0.12 0.00 0.43 0.00 0.00 52.55 51.43 3gk3 s ASP 62 Cb -0.00 -2.04 1.08 0.00 -0.30 0.00 0.00 42.92 41.66 3gk3 s ASP 62 CO 0.02 -0.63 2.09 -0.37 -0.17 0.00 0.00 175.17 176.12 3gk3 h VAL 63 N 6.05 1.05 0.00 1.11 -1.51 -1.93 -1.92 116.25 119.10 3gk3 h VAL 63 Ca -0.23 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 3gk3 h VAL 63 Cb 1.08 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 3gk3 h VAL 63 CO 0.83 0.06 0.00 0.00 -1.23 0.00 0.00 177.57 177.23 3gk3 n ALA 64 N -2.51 1.97 -3.88 5.19 0.00 -1.25 -4.29 120.51 115.74 3gk3 n ALA 64 Ca -0.01 -0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.09 3gk3 n ALA 64 Cb 0.10 -1.13 -0.16 0.00 0.00 0.00 0.00 19.45 18.26 3gk3 n ALA 64 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3gk3 s ASP 65 N -1.83 3.64 0.28 0.00 3.68 -0.72 -4.92 116.67 116.80 3gk3 s ASP 65 Ca 0.12 -1.13 -0.03 0.00 2.13 0.00 0.00 52.55 53.64 3gk3 s ASP 65 Cb 0.06 -1.02 0.38 0.00 -1.45 0.00 0.00 42.92 40.88 3gk3 s ASP 65 CO 0.09 -0.27 1.93 0.15 0.13 0.00 0.00 175.17 177.21 3gk3 h PHE 66 N 8.03 1.09 -0.11 -5.34 3.57 -1.84 0.13 116.94 122.47 3gk3 h PHE 66 Ca -0.17 0.01 -0.21 0.00 3.53 0.00 0.00 57.97 61.13 3gk3 h PHE 66 Cb 1.08 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.46 3gk3 h PHE 66 CO 0.44 0.71 -0.77 0.93 -2.23 0.00 0.00 178.31 177.39 3gk3 h GLU 67 N 1.15 0.59 -0.77 1.11 4.39 -1.95 -1.20 114.58 117.90 3gk3 h GLU 67 Ca 0.30 -0.49 0.05 0.00 0.34 0.00 0.00 59.36 59.57 3gk3 h GLU 67 Cb -0.07 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.62 3gk3 h GLU 67 CO -0.06 1.11 0.47 1.03 -1.16 0.00 0.00 179.01 180.40 3gk3 h SER 68 N 0.40 0.73 -0.20 1.42 0.87 -1.54 -2.13 113.55 113.10 3gk3 h SER 68 Ca -0.04 0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.38 3gk3 h SER 68 Cb 1.37 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.19 3gk3 h SER 68 CO 0.14 0.47 -0.45 0.00 -0.53 0.00 0.00 176.83 176.47 3gk3 h GLU 70 N 0.61 0.40 -0.07 0.00 4.81 -0.86 -1.20 114.58 118.26 3gk3 h GLU 70 Ca 0.04 -0.08 -0.20 0.00 -0.13 0.00 0.00 59.36 58.98 3gk3 h GLU 70 Cb 1.01 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.33 3gk3 h GLU 70 CO 0.10 0.45 -0.80 0.00 -0.73 0.00 0.00 179.01 178.03 3gk3 h ARG 71 N 0.39 0.49 -0.36 1.92 3.08 -1.15 -1.99 114.38 116.76 3gk3 h ARG 71 Ca 0.09 -0.43 -0.09 0.00 0.07 0.00 0.00 59.98 59.61 3gk3 h ARG 71 Cb 0.30 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3gk3 h ARG 71 CO 0.01 1.07 -0.15 0.00 -1.07 0.00 0.00 179.97 179.83 3gk3 h ALA 73 N 0.80 1.10 -0.11 0.00 0.00 -1.20 -1.05 119.26 118.79 3gk3 h ALA 73 Ca 0.08 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.68 3gk3 h ALA 73 Cb 0.68 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 3gk3 h ALA 73 CO 0.05 0.56 -0.30 0.93 0.00 0.00 0.00 179.25 180.49 3gk3 h GLU 74 N 0.37 -0.37 -0.37 0.00 5.08 -1.02 0.92 114.58 119.20 3gk3 h GLU 74 Ca 0.05 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3gk3 h GLU 74 Cb 0.70 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 3gk3 h GLU 74 CO 0.05 -0.24 0.19 0.87 -1.00 0.00 0.00 179.01 178.88 3gk3 h LYS 75 N -0.38 0.51 -0.99 2.33 1.57 -1.21 -1.85 116.57 116.54 3gk3 h LYS 75 Ca 0.09 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3gk3 h LYS 75 Cb 0.52 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.68 3gk3 h LYS 75 CO -0.33 0.43 0.66 0.28 -0.57 0.00 0.00 179.45 179.93 3gk3 h VAL 76 N 0.46 1.26 -0.13 0.50 2.07 -0.85 -1.32 116.25 118.24 3gk3 h VAL 76 Ca 0.13 -0.47 -0.16 0.00 0.82 0.00 0.00 66.70 67.02 3gk3 h VAL 76 Cb 0.07 -0.21 0.01 0.00 -1.52 0.00 0.00 31.29 29.64 3gk3 h VAL 76 CO -0.02 0.25 -0.53 -0.07 0.02 0.00 0.00 177.57 177.22 3gk3 h LEU 77 N 1.35 0.69 -0.02 2.57 3.38 -0.60 0.02 115.31 122.70 3gk3 h LEU 77 Ca 0.36 -0.62 0.03 0.00 0.09 0.00 0.00 57.88 57.74 3gk3 h LEU 77 Cb -0.15 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.34 3gk3 h LEU 77 CO -0.08 1.20 -0.48 0.00 0.09 0.00 0.00 178.44 179.17 3gk3 h ALA 78 N 0.51 -0.80 0.23 1.53 0.00 -1.26 0.54 119.26 120.01 3gk3 h ALA 78 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3gk3 h ALA 78 Cb 1.16 0.85 -0.04 0.00 0.00 0.00 0.00 17.79 19.77 3gk3 h ALA 78 CO 0.11 -1.03 -0.50 -0.44 0.00 0.00 0.00 179.25 177.39 3gk3 h ASP 79 N -0.62 -1.46 0.01 0.00 3.32 -1.14 -3.34 116.42 113.20 3gk3 h ASP 79 Ca 0.03 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3gk3 h ASP 79 Cb 0.69 0.52 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3gk3 h ASP 79 CO -0.35 -0.56 -0.62 0.49 -1.72 0.00 0.00 179.24 176.47 3gk3 n PHE 80 N -5.34 0.00 0.00 4.55 3.01 -0.02 -4.99 117.46 114.68 3gk3 n PHE 80 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 3gk3 n PHE 80 Cb 0.41 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.87 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 1.44 2.54 0.00 1.37 0.00 0.19 -4.88 105.19 105.85 3gk3 n GLY 81 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3gk3 n GLY 81 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3gk3 n LYS 82 N -2.00 0.00 -3.96 1.61 2.85 -1.24 -4.94 118.16 110.48 3gk3 n LYS 82 Ca 0.00 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.96 3gk3 n LYS 82 Cb 0.00 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 34.22 3gk3 n LYS 82 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3gk3 s VAL 83 N -2.00 1.49 -0.12 0.58 1.01 -1.26 -4.67 120.40 115.42 3gk3 s VAL 83 Ca 0.00 -0.94 0.17 0.00 0.00 0.00 0.00 61.98 61.21 3gk3 s VAL 83 Cb 0.00 -1.62 -0.16 0.00 0.00 0.00 0.00 36.38 34.60 3gk3 s VAL 83 CO 0.00 0.12 0.72 0.47 0.00 0.00 0.00 175.10 176.41 3gk3 n ASP 84 N 4.73 0.73 -4.03 3.32 8.00 -0.30 -4.68 116.55 124.31 3gk3 n ASP 84 Ca -0.14 0.32 -0.26 0.00 0.71 0.00 0.00 54.79 55.42 3gk3 n ASP 84 Cb 0.46 0.35 -0.17 0.00 -0.02 0.00 0.00 41.12 41.75 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 -2.91 1.28 -0.10 2.53 1.01 -0.05 -1.67 120.40 120.49 3gk3 s VAL 85 Ca -0.04 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.42 3gk3 s VAL 85 Cb 0.09 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.31 3gk3 s VAL 85 CO 0.82 0.39 -0.14 -0.22 0.00 0.00 0.00 175.10 175.95 3gk3 s LEU 86 N 0.83 1.67 -0.28 3.92 2.96 -0.05 -1.03 118.68 126.69 3gk3 s LEU 86 Ca -0.11 -0.38 0.00 0.00 -0.22 0.00 0.00 54.13 53.42 3gk3 s LEU 86 Cb -0.15 -1.00 0.06 0.00 0.50 0.00 0.00 46.19 45.59 3gk3 s LEU 86 CO 0.02 0.02 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.39 3gk3 s ILE 87 N 0.92 2.62 -0.98 6.68 -1.09 -0.17 -0.87 121.20 128.30 3gk3 s ILE 87 Ca -0.09 -1.52 -0.16 0.00 -2.23 0.00 0.00 60.65 56.65 3gk3 s ILE 87 Cb -0.15 -2.53 0.17 0.00 -1.58 0.00 0.00 42.46 38.37 3gk3 s ILE 87 CO 0.00 -0.09 1.11 0.20 -1.23 0.00 0.00 174.94 174.93 3gk3 s ASN 88 N 1.19 6.81 -0.04 3.58 0.02 -0.39 -1.41 114.94 124.70 3gk3 s ASN 88 Ca -0.06 -2.52 0.14 0.00 -1.02 0.00 0.00 52.86 49.39 3gk3 s ASN 88 Cb -0.20 -2.34 -0.21 0.00 0.02 0.00 0.00 41.25 38.52 3gk3 s ASN 88 CO -0.03 -0.82 0.27 -3.20 0.02 0.00 0.00 177.10 173.34 3gk3 n ASN 89 N 5.43 1.74 -4.78 -1.22 5.15 -1.25 -1.44 115.26 118.89 3gk3 n ASN 89 Ca 0.24 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.81 3gk3 n ASN 89 Cb 0.46 1.52 -0.01 0.00 -0.53 0.00 0.00 39.78 41.23 3gk3 n ASN 89 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gk3 s ALA 90 N -2.89 3.52 -0.29 5.20 0.00 -1.18 -4.83 121.76 121.30 3gk3 s ALA 90 Ca -0.05 1.46 -0.21 0.00 0.00 0.00 0.00 51.96 53.16 3gk3 s ALA 90 Cb 0.08 -3.56 0.17 0.00 0.00 0.00 0.00 23.12 19.81 3gk3 s ALA 90 CO 0.59 -0.92 1.20 0.20 0.00 0.00 0.00 175.76 176.82 3gk3 s GLY 91 N -0.29 0.23 0.34 0.00 0.00 -1.26 -4.71 107.32 101.62 3gk3 s GLY 91 Ca 0.52 3.33 0.07 0.00 0.00 0.00 0.00 44.72 48.64 3gk3 s GLY 91 CO 0.59 2.28 -0.04 -0.26 0.00 0.00 0.00 173.10 175.67 3gk3 s ILE 92 N 0.63 1.85 0.06 0.90 -4.36 -1.26 -5.06 121.20 113.97 3gk3 s ILE 92 Ca -0.01 -2.10 0.08 0.00 -0.26 0.00 0.00 60.65 58.36 3gk3 s ILE 92 Cb -0.04 -2.69 -0.03 0.00 1.25 0.00 0.00 42.46 40.95 3gk3 s ILE 92 CO -0.12 -0.15 -0.23 0.42 0.24 0.00 0.00 174.94 175.10 3gk3 s THR 93 N -2.85 1.84 -0.44 8.37 -4.23 -1.26 -4.87 115.64 112.20 3gk3 s THR 93 Ca 0.33 -1.36 0.05 0.00 -1.18 0.00 0.00 61.69 59.53 3gk3 s THR 93 Cb 0.06 -1.61 0.20 0.00 1.34 0.00 0.00 72.50 72.48 3gk3 s THR 93 CO 0.15 0.19 0.42 0.54 -0.54 0.00 0.00 174.62 175.39 3gk3 n ARG 94 N 1.61 0.57 -2.21 3.99 5.12 -1.26 -5.03 116.66 119.45 3gk3 n ARG 94 Ca -0.18 -3.36 -0.39 0.00 -1.93 0.00 0.00 57.85 52.00 3gk3 n ARG 94 Cb 0.53 -1.61 -0.02 0.00 -1.16 0.00 0.00 32.46 30.21 3gk3 n ARG 94 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3gk3 s ASP 95 N -0.55 6.53 -0.23 0.55 1.11 -1.26 -4.86 116.67 117.96 3gk3 s ASP 95 Ca 0.33 2.47 -0.29 0.00 0.18 0.00 0.00 52.55 55.24 3gk3 s ASP 95 Cb 0.08 -2.63 0.15 0.00 1.07 0.00 0.00 42.92 41.59 3gk3 s ASP 95 CO -0.16 -0.68 1.16 0.00 1.18 0.00 0.00 175.17 176.66 3gk3 s ALA 96 N -1.32 -2.02 0.58 5.23 0.00 -0.68 -5.04 121.76 118.50 3gk3 s ALA 96 Ca 0.55 1.73 -0.19 0.00 0.00 0.00 0.00 51.96 54.05 3gk3 s ALA 96 Cb -0.34 -1.15 -0.06 0.00 0.00 0.00 0.00 23.12 21.57 3gk3 s ALA 96 CO 0.43 -0.26 0.91 0.25 0.00 0.00 0.00 175.76 177.10 3gk3 n THR 97 N 0.92 3.42 -0.11 0.00 -2.24 -1.26 -4.07 114.28 110.93 3gk3 n THR 97 Ca -0.07 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3gk3 n THR 97 Cb 0.58 -1.09 0.28 0.00 -2.10 0.00 0.00 70.33 67.99 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 0.54 0.76 0.00 4.78 3.57 -1.95 0.18 116.94 124.83 3gk3 h PHE 98 Ca -0.48 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 60.98 3gk3 h PHE 98 Cb 1.37 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.86 3gk3 h PHE 98 CO 0.37 0.56 -0.09 1.98 -2.23 0.00 0.00 178.31 178.90 3gk3 h MET 99 N 0.78 0.00 -0.01 1.11 4.05 -2.04 -2.89 114.93 115.92 3gk3 h MET 99 Ca 0.19 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.61 3gk3 h MET 99 Cb 0.08 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 3gk3 h MET 99 CO -0.03 0.09 -0.53 1.63 0.23 0.00 0.00 176.91 178.30 3gk3 n LYS 100 N -4.03 1.40 -2.51 0.39 5.02 -0.34 -4.99 118.16 113.10 3gk3 n LYS 100 Ca -0.03 -0.60 -0.40 0.00 -2.02 0.00 0.00 58.31 55.27 3gk3 n LYS 100 Cb 0.17 -1.35 -0.04 0.00 -0.02 0.00 0.00 35.03 33.79 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 -2.30 4.64 0.41 1.97 1.75 -0.10 -4.92 119.30 120.76 3gk3 s MET 101 Ca 0.12 1.76 0.02 0.00 -1.25 0.00 0.00 55.69 56.34 3gk3 s MET 101 Cb 0.14 -3.17 -0.00 0.00 2.84 0.00 0.00 34.83 34.64 3gk3 s MET 101 CO 0.55 0.23 0.60 0.95 -0.65 0.00 0.00 175.02 176.71 3gk3 s THR 102 N -1.19 4.03 0.55 10.11 -4.23 -1.26 -4.98 115.64 118.66 3gk3 s THR 102 Ca 0.45 -0.66 0.22 0.00 -1.18 0.00 0.00 61.69 60.51 3gk3 s THR 102 Cb -0.31 -3.46 0.31 0.00 1.34 0.00 0.00 72.50 70.39 3gk3 s THR 102 CO 0.39 -0.27 2.17 0.07 -0.54 0.00 0.00 174.62 176.44 3gk3 h LYS 103 N 0.56 0.00 -0.05 3.99 -0.00 -1.98 -1.30 116.57 117.79 3gk3 h LYS 103 Ca -0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 60.16 3gk3 h LYS 103 Cb 1.25 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.48 3gk3 h LYS 103 CO 0.56 0.00 -0.07 0.78 -0.00 0.00 0.00 179.45 180.72 3gk3 h GLY 104 N 0.00 0.14 0.10 0.07 0.00 -1.98 0.14 103.07 101.54 3gk3 h GLY 104 Ca 0.02 -0.16 0.11 0.00 0.00 0.00 0.00 47.33 47.31 3gk3 h GLY 104 CO -0.00 0.14 0.05 -0.55 0.00 0.00 0.00 176.54 176.18 3gk3 h ASP 105 N -0.35 -0.15 0.26 0.19 3.32 -1.76 -1.15 116.42 116.78 3gk3 h ASP 105 Ca 0.01 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3gk3 h ASP 105 Cb 0.61 0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.37 3gk3 h ASP 105 CO 0.02 -0.06 -0.12 -0.25 -1.72 0.00 0.00 179.24 177.11 3gk3 h TRP 106 N 0.17 -0.32 -0.19 4.55 2.91 -1.15 -2.77 115.95 119.15 3gk3 h TRP 106 Ca 0.30 -0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.29 3gk3 h TRP 106 Cb 0.46 0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 29.21 3gk3 h TRP 106 CO -0.30 -0.14 0.02 -0.44 -1.03 0.00 0.00 178.44 176.55 3gk3 h ASP 107 N -0.43 0.32 -0.39 2.65 3.32 -0.57 -1.71 116.42 119.61 3gk3 h ASP 107 Ca -0.04 -0.28 0.08 0.00 0.02 0.00 0.00 57.03 56.82 3gk3 h ASP 107 Cb 0.33 -0.08 -0.09 0.00 0.22 0.00 0.00 39.33 39.71 3gk3 h ASP 107 CO 0.06 0.52 -0.30 0.00 -1.72 0.00 0.00 179.24 177.80 3gk3 h ALA 108 N 0.81 -0.13 -0.58 3.45 0.00 -1.24 -0.64 119.26 120.94 3gk3 h ALA 108 Ca 0.06 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 3gk3 h ALA 108 Cb 0.34 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3gk3 h ALA 108 CO 0.01 -0.69 -0.02 0.28 0.00 0.00 0.00 179.25 178.82 3gk3 h VAL 109 N -0.23 1.27 -0.12 0.00 2.07 -1.39 -2.54 116.25 115.30 3gk3 h VAL 109 Ca 0.18 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 3gk3 h VAL 109 Cb 0.52 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3gk3 h VAL 109 CO -0.52 0.42 0.06 0.24 0.02 0.00 0.00 177.57 177.79 3gk3 h MET 110 N 0.92 0.17 -0.63 1.57 2.07 -0.75 -0.90 114.93 117.39 3gk3 h MET 110 Ca 0.16 -0.02 -0.07 0.00 -2.07 0.00 0.00 59.70 57.69 3gk3 h MET 110 Cb 0.58 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 30.26 3gk3 h MET 110 CO 0.03 0.22 0.11 0.00 1.07 0.00 0.00 176.91 178.35 3gk3 h ARG 111 N 0.07 1.03 0.19 1.72 3.08 -1.18 -0.49 114.38 118.81 3gk3 h ARG 111 Ca 0.04 -0.27 -0.28 0.00 0.07 0.00 0.00 59.98 59.54 3gk3 h ARG 111 Cb 0.11 -0.12 0.02 0.00 0.08 0.00 0.00 29.97 30.06 3gk3 h ARG 111 CO -0.01 0.96 -1.27 1.15 -1.07 0.00 0.00 179.97 179.73 3gk3 h THR 112 N 0.95 1.29 0.17 2.04 2.02 -1.42 -3.04 112.91 114.91 3gk3 h THR 112 Ca 0.19 -2.58 -0.34 0.00 0.77 0.00 0.00 66.41 64.45 3gk3 h THR 112 Cb 0.42 3.03 0.00 0.00 -1.74 0.00 0.00 68.15 69.86 3gk3 h THR 112 CO 0.01 0.77 -1.73 0.44 0.37 0.00 0.00 175.52 175.39 3gk3 h ASP 113 N -0.10 0.56 0.00 4.18 5.19 -1.25 -3.37 116.42 121.63 3gk3 h ASP 113 Ca -0.23 -0.93 -0.22 0.00 -0.62 0.00 0.00 57.03 55.03 3gk3 h ASP 113 Cb 1.93 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 41.22 3gk3 h ASP 113 CO 0.19 1.77 -1.63 -0.11 -3.12 0.00 0.00 179.24 176.35 3gk3 n LEU 114 N -3.64 1.40 -0.27 1.55 7.94 -0.33 -4.51 117.00 119.14 3gk3 n LEU 114 Ca -0.26 0.24 0.20 0.00 -1.11 0.00 0.00 56.01 55.08 3gk3 n LEU 114 Cb 1.04 -0.56 0.51 0.00 0.53 0.00 0.00 43.42 44.94 3gk3 n LEU 114 CO 0.49 0.14 1.22 0.44 -1.11 0.00 0.00 177.39 178.58 3gk3 h ASP 115 N -0.66 0.42 -1.01 1.96 3.32 -1.26 0.53 116.42 119.72 3gk3 h ASP 115 Ca -0.33 0.05 0.24 0.00 0.02 0.00 0.00 57.03 57.01 3gk3 h ASP 115 Cb 1.19 -0.02 -0.12 0.00 0.22 0.00 0.00 39.33 40.60 3gk3 h ASP 115 CO -0.20 0.15 0.61 0.00 -1.72 0.00 0.00 179.24 178.08 3gk3 h ALA 116 N 1.61 1.82 -0.39 3.45 0.00 -1.69 0.78 119.26 124.84 3gk3 h ALA 116 Ca 0.50 0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.60 3gk3 h ALA 116 Cb 1.25 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 3gk3 h ALA 116 CO -0.20 -0.27 -0.11 0.52 0.00 0.00 0.00 179.25 179.18 3gk3 h MET 117 N 0.59 -0.02 0.62 0.00 2.86 -1.11 0.40 114.93 118.27 3gk3 h MET 117 Ca 0.63 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 58.24 3gk3 h MET 117 Cb 1.20 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.87 3gk3 h MET 117 CO -0.44 -0.01 -0.30 0.35 1.06 0.00 0.00 176.91 177.57 3gk3 h PHE 118 N -0.02 -0.77 -0.80 -0.22 3.57 -1.26 -2.54 116.94 114.91 3gk3 h PHE 118 Ca 0.19 -0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.81 3gk3 h PHE 118 Cb 0.30 0.25 -0.09 0.00 2.79 0.00 0.00 35.95 39.21 3gk3 h PHE 118 CO -0.36 -0.43 0.38 -0.91 -2.23 0.00 0.00 178.31 174.77 3gk3 h ASN 119 N -1.05 0.44 0.00 0.41 2.35 -0.54 -1.68 115.58 115.51 3gk3 h ASN 119 Ca -0.08 0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 3gk3 h ASN 119 Cb 0.68 0.03 -0.00 0.00 0.05 0.00 0.00 38.32 39.08 3gk3 h ASN 119 CO 0.14 0.19 -0.14 0.58 -1.65 0.00 0.00 177.43 176.55 3gk3 h VAL 120 N 0.56 1.08 -0.14 2.81 2.07 -1.05 -3.37 116.25 118.21 3gk3 h VAL 120 Ca 0.43 -1.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.06 3gk3 h VAL 120 Cb 0.61 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 3gk3 h VAL 120 CO -0.36 0.37 -0.09 0.74 0.02 0.00 0.00 177.57 178.25 3gk3 h THR 121 N -1.00 1.15 -0.61 2.57 2.02 -1.37 -0.35 112.91 115.32 3gk3 h THR 121 Ca -0.03 -0.64 0.16 0.00 0.77 0.00 0.00 66.41 66.67 3gk3 h THR 121 Cb 0.70 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 3gk3 h THR 121 CO -0.02 0.20 0.43 0.50 0.37 0.00 0.00 175.52 177.00 3gk3 h LYS 122 N 0.21 0.08 0.00 6.66 1.63 -1.46 -1.66 116.57 122.04 3gk3 h LYS 122 Ca 0.05 -0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.75 3gk3 h LYS 122 Cb 0.30 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 3gk3 h LYS 122 CO 0.02 0.05 -0.41 1.96 -3.45 0.00 0.00 179.45 177.61 3gk3 h GLN 123 N 0.08 0.00 -0.00 1.90 1.08 -1.22 -3.33 115.11 113.62 3gk3 h GLN 123 Ca 0.29 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 3gk3 h GLN 123 Cb 1.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.47 3gk3 h GLN 123 CO -0.03 0.41 -0.17 1.19 -0.95 0.00 0.00 178.83 179.29 3gk3 n PHE 124 N -3.29 0.00 -0.03 2.96 3.72 -0.81 -4.69 117.46 115.32 3gk3 n PHE 124 Ca 0.01 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.38 3gk3 n PHE 124 Cb 0.64 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 39.38 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 0.01 1.25 -0.10 4.37 6.09 -1.44 -3.11 117.51 124.58 3gk3 h ILE 125 Ca 0.00 -1.11 -0.17 0.00 -1.37 0.00 0.00 64.86 62.21 3gk3 h ILE 125 Cb 0.09 1.13 -0.01 0.00 0.47 0.00 0.00 36.82 38.50 3gk3 h ILE 125 CO 0.00 0.37 -0.65 0.00 -3.07 0.00 0.00 178.15 174.79 3gk3 h ALA 126 N 1.31 0.69 -0.60 0.18 0.00 -1.84 -1.57 119.26 117.43 3gk3 h ALA 126 Ca 0.10 -0.57 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 3gk3 h ALA 126 Cb 0.55 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3gk3 h ALA 126 CO 0.03 0.74 0.13 0.78 0.00 0.00 0.00 179.25 180.94 3gk3 h GLY 127 N 1.29 1.02 0.66 0.00 0.00 -1.86 -1.20 103.07 102.99 3gk3 h GLY 127 Ca -0.01 -0.62 -0.06 0.00 0.00 0.00 0.00 47.33 46.64 3gk3 h GLY 127 CO 0.11 0.58 -0.17 -0.33 0.00 0.00 0.00 176.54 176.73 3gk3 h MET 128 N 0.91 0.28 -0.83 4.80 2.07 -1.45 -1.74 114.93 118.96 3gk3 h MET 128 Ca 0.19 -0.17 0.12 0.00 -2.07 0.00 0.00 59.70 57.77 3gk3 h MET 128 Cb 0.34 0.02 -0.08 0.00 -1.87 0.00 0.00 31.60 30.01 3gk3 h MET 128 CO 0.00 0.76 0.45 0.28 1.07 0.00 0.00 176.91 179.46 3gk3 h VAL 129 N -0.17 0.80 -0.33 -2.22 2.07 -1.18 0.29 116.25 115.50 3gk3 h VAL 129 Ca 0.01 -0.24 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 3gk3 h VAL 129 Cb 0.74 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3gk3 h VAL 129 CO 0.04 0.13 -0.05 -0.33 0.02 0.00 0.00 177.57 177.37 3gk3 h GLU 130 N 0.69 0.63 -0.00 1.57 3.07 -0.89 -2.30 114.58 117.35 3gk3 h GLU 130 Ca 0.43 -0.23 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 3gk3 h GLU 130 Cb 0.53 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 3gk3 h GLU 130 CO -0.31 0.78 -0.01 0.54 -1.40 0.00 0.00 179.01 178.61 3gk3 n ARG 131 N -4.46 0.43 -1.44 2.33 1.74 -0.68 -4.86 116.66 109.71 3gk3 n ARG 131 Ca -0.02 -0.01 -0.15 0.00 -0.77 0.00 0.00 57.85 56.89 3gk3 n ARG 131 Cb 0.31 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.19 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 -1.27 -1.20 -3.83 5.56 5.12 0.03 -4.98 116.66 116.08 3gk3 n ARG 132 Ca 0.14 1.02 -0.14 0.00 -1.93 0.00 0.00 57.85 56.94 3gk3 n ARG 132 Cb 0.25 -5.23 -0.15 0.00 -1.16 0.00 0.00 32.46 26.17 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 -2.48 0.04 0.00 -1.55 5.36 -1.06 -3.73 117.98 114.55 3gk3 s PHE 133 Ca 0.00 0.06 -0.27 0.00 -0.96 0.00 0.00 56.93 55.76 3gk3 s PHE 133 Cb 0.00 -0.15 0.06 0.00 -0.34 0.00 0.00 43.02 42.60 3gk3 s PHE 133 CO 0.00 -0.05 0.61 0.20 -1.46 0.00 0.00 175.22 174.52 3gk3 s GLY 134 N 0.57 -0.53 -0.05 13.12 0.00 -0.84 -4.56 107.32 115.03 3gk3 s GLY 134 Ca -0.05 1.00 0.02 0.00 0.00 0.00 0.00 44.72 45.69 3gk3 s GLY 134 CO -0.02 0.67 -0.08 0.50 0.00 0.00 0.00 173.10 174.17 3gk3 s ARG 135 N -1.79 1.23 -0.07 2.90 1.81 -0.67 -1.85 118.95 120.52 3gk3 s ARG 135 Ca -0.08 -0.26 -0.01 0.00 -1.72 0.00 0.00 55.73 53.65 3gk3 s ARG 135 Cb -0.01 -1.10 0.03 0.00 -0.45 0.00 0.00 34.95 33.43 3gk3 s ARG 135 CO 0.04 -0.01 -0.00 0.42 -0.68 0.00 0.00 175.30 175.07 3gk3 s ILE 136 N 0.73 0.37 -0.11 1.52 1.01 -0.47 -0.87 121.20 123.38 3gk3 s ILE 136 Ca -0.12 0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.65 3gk3 s ILE 136 Cb -0.15 -0.52 0.01 0.00 0.01 0.00 0.00 42.46 41.82 3gk3 s ILE 136 CO 0.02 0.25 -0.18 -0.69 0.00 0.00 0.00 174.94 174.34 3gk3 s VAL 137 N 1.82 1.69 -0.11 2.92 1.01 -0.05 -1.33 120.40 126.35 3gk3 s VAL 137 Ca 0.03 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.24 3gk3 s VAL 137 Cb -0.12 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 3gk3 s VAL 137 CO -0.05 0.48 -0.12 0.20 0.00 0.00 0.00 175.10 175.62 3gk3 s ASN 138 N 0.75 4.18 -0.34 3.32 0.02 0.11 -1.26 114.94 121.71 3gk3 s ASN 138 Ca -0.11 -0.24 -0.23 0.00 -1.02 0.00 0.00 52.86 51.25 3gk3 s ASN 138 Cb -0.16 -1.43 0.01 0.00 0.02 0.00 0.00 41.25 39.69 3gk3 s ASN 138 CO 0.02 0.22 0.79 -0.63 0.02 0.00 0.00 177.10 177.52 3gk3 s ILE 139 N 0.01 4.76 0.00 0.60 -1.09 -0.52 -1.51 121.20 123.44 3gk3 s ILE 139 Ca -0.03 1.04 0.00 0.00 -2.23 0.00 0.00 60.65 59.42 3gk3 s ILE 139 Cb -0.14 -4.18 0.00 0.00 -1.58 0.00 0.00 42.46 36.55 3gk3 s ILE 139 CO 0.04 -0.35 0.00 0.61 -1.23 0.00 0.00 174.94 174.01 3gk3 n GLY 140 N 4.37 1.34 3.59 6.18 0.00 0.50 -4.92 105.19 116.25 3gk3 n GLY 140 Ca 0.03 -1.57 -0.10 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.40 0.66 1.61 0.15 -1.26 -4.44 113.70 109.02 3gk3 s SER 141 Ca 0.00 0.55 0.44 0.00 0.70 0.00 0.00 55.95 57.64 3gk3 s SER 141 Cb 0.00 0.48 2.39 0.00 -1.71 0.00 0.00 66.02 67.17 3gk3 s SER 141 CO 0.00 -0.30 2.37 1.62 1.20 0.00 0.00 173.24 178.13 3gk3 h VAL 142 N 2.88 0.04 0.00 4.45 3.04 -1.62 0.26 116.25 125.30 3gk3 h VAL 142 Ca -0.22 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 3gk3 h VAL 142 Cb 1.17 1.01 0.00 0.00 -2.01 0.00 0.00 31.29 31.45 3gk3 h VAL 142 CO 0.25 0.00 -0.14 0.78 -1.01 0.00 0.00 177.57 177.46 3gk3 h ASN 143 N 0.00 0.00 -0.64 3.17 2.35 -1.88 -1.92 115.58 116.66 3gk3 h ASN 143 Ca -0.00 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3gk3 h ASN 143 Cb 0.01 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 3gk3 h ASN 143 CO 0.00 0.00 0.30 1.23 -1.65 0.00 0.00 177.43 177.31 3gk3 h GLY 144 N 4.05 1.03 1.07 2.83 0.00 -0.72 -2.18 103.07 109.15 3gk3 h GLY 144 Ca 0.00 -0.50 -0.31 0.00 0.00 0.00 0.00 47.33 46.51 3gk3 h GLY 144 CO 0.00 0.48 -1.42 1.76 0.00 0.00 0.00 176.54 177.36 3gk3 h SER 145 N 0.95 0.73 -0.02 0.19 0.02 -1.28 -3.37 113.55 110.78 3gk3 h SER 145 Ca 0.23 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.25 3gk3 h SER 145 Cb 0.13 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.43 3gk3 h SER 145 CO -0.03 1.67 -0.17 -2.11 -1.14 0.00 0.00 176.83 175.05 3gk3 n ARG 146 N -3.78 1.53 -1.21 3.45 1.85 -0.77 -5.08 116.66 112.66 3gk3 n ARG 146 Ca -0.18 -1.15 0.15 0.00 -1.00 0.00 0.00 57.85 55.67 3gk3 n ARG 146 Cb 1.05 -1.30 -0.07 0.00 -1.05 0.00 0.00 32.46 31.09 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 1.06 -2.90 3.23 2.89 0.00 -0.82 -5.01 105.19 103.64 3gk3 n GLY 147 Ca 0.08 -1.14 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.56 -0.94 0.18 4.61 0.00 -1.26 -4.83 121.76 115.96 3gk3 s ALA 148 Ca 0.00 1.39 -0.30 0.00 0.00 0.00 0.00 51.96 53.04 3gk3 s ALA 148 Cb 0.00 -0.84 -0.17 0.00 0.00 0.00 0.00 23.12 22.10 3gk3 s ALA 148 CO 0.00 -0.24 0.72 0.34 0.00 0.00 0.00 175.76 176.57 3gk3 n PHE 149 N 4.14 0.04 -1.57 0.00 7.35 -1.26 -1.89 117.46 124.27 3gk3 n PHE 149 Ca -0.23 0.93 -0.17 0.00 -0.76 0.00 0.00 57.45 57.22 3gk3 n PHE 149 Cb 0.55 -2.04 -0.07 0.00 0.35 0.00 0.00 39.48 38.27 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 1.83 1.53 2.70 7.13 0.00 -1.26 -4.90 105.19 112.22 3gk3 n GLY 150 Ca 0.17 -0.19 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.51 1.26 0.05 1.61 6.02 -0.79 -1.69 117.38 121.32 3gk3 n GLN 151 Ca -0.18 -3.10 0.07 0.00 -0.01 0.00 0.00 57.00 53.78 3gk3 n GLN 151 Cb 0.57 -1.14 0.50 0.00 1.02 0.00 0.00 30.24 31.19 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 2.77 1.85 0.03 -1.58 0.00 -1.81 0.37 119.26 120.90 3gk3 h ALA 152 Ca -0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3gk3 h ALA 152 Cb 1.21 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3gk3 h ALA 152 CO 0.37 0.11 -0.01 -2.95 0.00 0.00 0.00 179.25 176.76 3gk3 h ASN 153 N 0.38 -0.03 -0.42 0.00 -1.07 -1.92 -2.62 115.58 109.90 3gk3 h ASN 153 Ca 0.14 -0.61 -0.01 0.00 0.07 0.00 0.00 56.30 55.89 3gk3 h ASN 153 Cb 0.09 0.01 -0.02 0.00 -2.07 0.00 0.00 38.32 36.32 3gk3 h ASN 153 CO -0.03 0.62 0.23 0.22 0.07 0.00 0.00 177.43 178.54 3gk3 h TYR 154 N -0.72 0.58 -0.39 4.14 3.20 -1.85 -0.22 116.97 121.71 3gk3 h TYR 154 Ca -0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3gk3 h TYR 154 Cb 0.65 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 3gk3 h TYR 154 CO 0.15 0.45 0.26 0.00 -1.64 0.00 0.00 178.16 177.38 3gk3 h ALA 155 N 1.08 0.50 -0.15 1.82 0.00 -0.38 -1.00 119.26 121.12 3gk3 h ALA 155 Ca 0.15 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3gk3 h ALA 155 Cb 0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3gk3 h ALA 155 CO -0.02 -0.04 -0.03 0.77 0.00 0.00 0.00 179.25 179.93 3gk3 h SER 156 N 0.53 -0.12 -0.26 0.00 0.02 -1.31 0.16 113.55 112.57 3gk3 h SER 156 Ca 0.14 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3gk3 h SER 156 Cb -0.06 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 3gk3 h SER 156 CO -0.03 -0.04 0.16 0.00 -1.14 0.00 0.00 176.83 175.78 3gk3 h ALA 157 N 1.15 0.34 -0.23 3.77 0.00 -0.71 -0.41 119.26 123.16 3gk3 h ALA 157 Ca 0.07 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3gk3 h ALA 157 Cb 0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3gk3 h ALA 157 CO -0.15 -0.16 -0.34 0.87 0.00 0.00 0.00 179.25 179.47 3gk3 h LYS 158 N 0.33 0.63 -0.59 0.00 1.79 -0.92 -1.08 116.57 116.72 3gk3 h LYS 158 Ca 0.09 -0.38 0.09 0.00 -2.18 0.00 0.00 60.65 58.28 3gk3 h LYS 158 Cb 0.01 0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 30.63 3gk3 h LYS 158 CO -0.02 0.99 0.22 0.00 -1.08 0.00 0.00 179.45 179.56 3gk3 h ALA 159 N 0.64 0.76 -0.04 3.86 0.00 -0.67 -1.50 119.26 122.31 3gk3 h ALA 159 Ca 0.02 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3gk3 h ALA 159 Cb 0.93 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3gk3 h ALA 159 CO 0.08 -0.19 -0.11 0.78 0.00 0.00 0.00 179.25 179.81 3gk3 h GLY 160 N 0.41 0.06 0.95 0.00 0.00 -0.71 -1.90 103.07 101.88 3gk3 h GLY 160 Ca 0.30 -0.03 0.07 0.00 0.00 0.00 0.00 47.33 47.66 3gk3 h GLY 160 CO -0.29 0.03 0.53 -2.22 0.00 0.00 0.00 176.54 174.58 3gk3 h ILE 161 N 0.06 1.03 -0.26 2.60 2.04 -0.10 -2.35 117.51 120.53 3gk3 h ILE 161 Ca 0.01 -0.30 -0.17 0.00 1.00 0.00 0.00 64.86 65.40 3gk3 h ILE 161 Cb 0.23 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3gk3 h ILE 161 CO 0.01 0.16 -0.53 -0.74 0.00 0.00 0.00 178.15 177.06 3gk3 h HIS 162 N 0.86 0.94 -0.80 1.37 2.76 -1.35 -0.80 115.15 118.14 3gk3 h HIS 162 Ca 0.35 -0.33 0.16 0.00 -2.20 0.00 0.00 60.37 58.35 3gk3 h HIS 162 Cb 0.25 -0.18 -0.10 0.00 1.55 0.00 0.00 27.41 28.93 3gk3 h HIS 162 CO -0.00 1.12 0.34 0.78 -1.30 0.00 0.00 177.93 178.87 3gk3 h GLY 163 N 0.85 1.25 0.80 5.26 0.00 -1.52 -0.48 103.07 109.22 3gk3 h GLY 163 Ca 0.02 -0.17 0.02 0.00 0.00 0.00 0.00 47.33 47.20 3gk3 h GLY 163 CO 0.11 -0.12 -0.01 -2.75 0.00 0.00 0.00 176.54 173.78 3gk3 h PHE 164 N 0.47 -0.02 0.21 5.60 3.57 -0.83 -2.54 116.94 123.40 3gk3 h PHE 164 Ca 0.45 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.95 3gk3 h PHE 164 Cb 0.70 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.47 3gk3 h PHE 164 CO -0.15 -0.02 -0.13 1.15 -2.23 0.00 0.00 178.31 176.93 3gk3 h THR 165 N 0.03 0.73 -0.25 4.41 2.02 -0.30 -1.21 112.91 118.35 3gk3 h THR 165 Ca 0.06 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.29 3gk3 h THR 165 Cb 0.07 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 67.17 3gk3 h THR 165 CO -0.10 0.00 -0.05 0.11 0.37 0.00 0.00 175.52 175.85 3gk3 h LYS 166 N -0.33 0.01 -0.22 6.66 1.57 -1.09 0.14 116.57 123.32 3gk3 h LYS 166 Ca -0.02 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3gk3 h LYS 166 Cb 0.27 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 3gk3 h LYS 166 CO 0.02 0.01 0.07 1.15 -0.57 0.00 0.00 179.45 180.14 3gk3 h THR 167 N 0.01 0.94 0.00 -0.16 2.02 -1.32 -1.52 112.91 112.89 3gk3 h THR 167 Ca 0.12 -0.06 -0.09 0.00 0.77 0.00 0.00 66.41 67.15 3gk3 h THR 167 Cb 0.17 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3gk3 h THR 167 CO -0.24 0.03 -0.42 0.25 0.37 0.00 0.00 175.52 175.51 3gk3 h LEU 168 N 0.18 0.00 -0.08 2.58 5.85 -0.95 -1.48 115.31 121.41 3gk3 h LEU 168 Ca 0.10 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3gk3 h LEU 168 Cb 0.07 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 3gk3 h LEU 168 CO -0.10 0.42 0.04 0.00 -0.34 0.00 0.00 178.44 178.46 3gk3 h ALA 169 N 1.58 0.11 -0.36 1.25 0.00 -0.26 -1.02 119.26 120.55 3gk3 h ALA 169 Ca -0.00 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3gk3 h ALA 169 Cb 0.74 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3gk3 h ALA 169 CO 0.05 -0.34 0.17 -0.07 0.00 0.00 0.00 179.25 179.07 3gk3 h LEU 170 N 0.02 0.24 -1.04 0.00 3.38 -0.99 0.15 115.31 117.07 3gk3 h LEU 170 Ca 0.03 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 3gk3 h LEU 170 Cb 0.11 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3gk3 h LEU 170 CO -0.00 0.18 -0.39 -0.33 0.09 0.00 0.00 178.44 177.99 3gk3 h GLU 171 N 0.36 0.17 0.00 1.13 5.08 -1.15 -3.27 114.58 116.89 3gk3 h GLU 171 Ca 0.16 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3gk3 h GLU 171 Cb 0.08 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3gk3 h GLU 171 CO -0.12 0.54 -1.02 0.25 -1.00 0.00 0.00 179.01 177.66 3gk3 n THR 172 N -4.05 0.00 -0.28 1.13 -2.24 -0.40 -4.63 114.28 103.81 3gk3 n THR 172 Ca -0.01 -0.13 0.16 0.00 -2.27 0.00 0.00 64.05 61.80 3gk3 n THR 172 Cb 0.45 0.85 0.43 0.00 -2.10 0.00 0.00 70.33 69.96 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 2.46 1.97 -0.03 6.98 0.00 -0.76 0.13 119.26 130.01 3gk3 h ALA 173 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3gk3 h ALA 173 Cb 0.50 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3gk3 h ALA 173 CO 0.00 -0.28 0.00 1.63 0.00 0.00 0.00 179.25 180.60 3gk3 n LYS 174 N -4.59 1.26 -0.53 0.00 4.76 -1.26 -3.49 118.16 114.30 3gk3 n LYS 174 Ca 0.20 -0.38 0.04 0.00 -2.87 0.00 0.00 58.31 55.30 3gk3 n LYS 174 Cb 0.62 -1.42 0.22 0.00 -1.84 0.00 0.00 35.03 32.61 3gk3 n LYS 174 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3gk3 n ARG 175 N -0.47 2.27 -1.04 1.97 1.74 0.47 -4.93 116.66 116.66 3gk3 n ARG 175 Ca 0.19 -2.94 -0.02 0.00 -0.77 0.00 0.00 57.85 54.31 3gk3 n ARG 175 Cb 0.18 -1.78 -0.01 0.00 -1.02 0.00 0.00 32.46 29.83 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 -0.88 0.52 3.48 -0.13 0.00 -1.23 -3.31 105.19 103.64 3gk3 n GLY 176 Ca 0.25 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.03 3.69 0.21 -0.61 1.01 -1.23 -1.99 121.20 120.24 3gk3 s ILE 177 Ca 0.00 -0.44 0.06 0.00 0.00 0.00 0.00 60.65 60.27 3gk3 s ILE 177 Cb 0.00 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 3gk3 s ILE 177 CO 0.00 0.52 0.19 0.42 0.00 0.00 0.00 174.94 176.06 3gk3 s THR 178 N 0.19 4.57 -0.06 2.92 -4.23 -0.77 -4.10 115.64 114.16 3gk3 s THR 178 Ca -0.03 -1.20 -0.02 0.00 -1.18 0.00 0.00 61.69 59.25 3gk3 s THR 178 Cb -0.14 -3.41 0.04 0.00 1.34 0.00 0.00 72.50 70.33 3gk3 s THR 178 CO 0.03 -0.24 0.10 -0.69 -0.54 0.00 0.00 174.62 173.28 3gk3 s VAL 179 N -1.94 -0.16 0.17 2.29 1.01 -1.25 -1.37 120.40 119.14 3gk3 s VAL 179 Ca 0.32 0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.72 3gk3 s VAL 179 Cb -0.09 -0.20 -0.05 0.00 0.00 0.00 0.00 36.38 36.04 3gk3 s VAL 179 CO 0.25 0.17 0.01 0.20 0.00 0.00 0.00 175.10 175.72 3gk3 s ASN 180 N 2.19 1.14 -0.15 3.32 0.01 -0.45 -0.50 114.94 120.51 3gk3 s ASN 180 Ca 0.04 -1.17 -0.03 0.00 -0.71 0.00 0.00 52.86 50.99 3gk3 s ASN 180 Cb -0.12 0.13 -0.03 0.00 0.41 0.00 0.00 41.25 41.65 3gk3 s ASN 180 CO -0.04 -0.58 -0.05 -0.89 -1.51 0.00 0.00 177.10 174.03 3gk3 s THR 181 N -3.69 3.76 -0.22 1.60 2.01 0.01 -0.72 115.64 118.39 3gk3 s THR 181 Ca 0.24 -0.41 -0.06 0.00 0.31 0.00 0.00 61.69 61.77 3gk3 s THR 181 Cb 0.06 -2.63 -0.02 0.00 0.01 0.00 0.00 72.50 69.92 3gk3 s THR 181 CO 0.04 0.50 0.01 -0.69 -0.69 0.00 0.00 174.62 173.79 3gk3 s VAL 182 N 0.32 3.92 -0.42 3.82 1.01 -0.57 -0.64 120.40 127.84 3gk3 s VAL 182 Ca -0.05 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 3gk3 s VAL 182 Cb -0.14 -2.80 0.10 0.00 0.00 0.00 0.00 36.38 33.54 3gk3 s VAL 182 CO 0.03 0.39 0.23 -0.44 0.00 0.00 0.00 175.10 175.32 3gk3 s SER 183 N 1.38 5.41 0.29 3.32 0.01 -0.67 -0.37 113.70 123.06 3gk3 s SER 183 Ca 0.05 -1.83 -0.05 0.00 1.31 0.00 0.00 55.95 55.43 3gk3 s SER 183 Cb -0.15 -1.90 -0.05 0.00 0.21 0.00 0.00 66.02 64.14 3gk3 s SER 183 CO 0.01 -0.56 0.55 -2.16 0.41 0.00 0.00 173.24 171.49 3gk3 s PRO 184 N 1.26 3.62 0.00 12.44 0.04 -1.26 -1.71 135.00 149.40 3gk3 s PRO 184 Ca 0.05 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.08 3gk3 s PRO 184 Cb -0.23 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.65 3gk3 s PRO 184 CO -0.02 0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.65 3gk3 n GLY 185 N -0.94 -0.97 3.69 0.56 0.00 -0.54 -1.96 105.19 105.03 3gk3 n GLY 185 Ca -0.02 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.10 2.51 0.11 1.61 2.02 -1.26 -4.93 117.35 117.32 3gk3 s TYR 186 Ca 0.00 0.40 0.09 0.00 -0.37 0.00 0.00 57.07 57.18 3gk3 s TYR 186 Cb 0.00 -3.93 -0.04 0.00 -0.40 0.00 0.00 41.96 37.59 3gk3 s TYR 186 CO 0.00 -3.68 -0.17 -0.51 -1.57 0.00 0.00 175.55 169.62 3gk3 s LEU 187 N 2.51 2.73 -1.27 -1.29 1.43 -1.26 -1.40 118.68 120.12 3gk3 s LEU 187 Ca 0.73 -0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 53.12 3gk3 s LEU 187 Cb -0.39 -1.57 0.11 0.00 0.03 0.00 0.00 46.19 44.37 3gk3 s LEU 187 CO 0.32 0.18 1.65 0.00 0.23 0.00 0.00 176.35 178.73 3gk3 n ALA 188 N 0.80 3.78 -2.47 4.21 0.00 -0.10 -4.74 120.51 121.98 3gk3 n ALA 188 Ca -0.15 -4.01 -0.19 0.00 0.00 0.00 0.00 53.44 49.09 3gk3 n ALA 188 Cb 0.53 -3.39 -0.01 0.00 0.00 0.00 0.00 19.45 16.57 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 3.13 3.97 0.23 0.00 -4.23 -1.26 -4.49 115.64 112.99 3gk3 s THR 189 Ca 0.49 -1.06 -0.07 0.00 -1.18 0.00 0.00 61.69 59.87 3gk3 s THR 189 Cb 0.02 -3.37 0.20 0.00 1.34 0.00 0.00 72.50 70.69 3gk3 s THR 189 CO 0.04 -0.16 1.70 0.00 -0.54 0.00 0.00 174.62 175.66 3gk3 h ALA 190 N 0.96 0.83 -1.19 3.99 0.00 -1.96 0.23 119.26 122.12 3gk3 h ALA 190 Ca -0.46 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3gk3 h ALA 190 Cb 1.26 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3gk3 h ALA 190 CO 0.54 -0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.48 3gk3 n MET 191 N -5.13 0.00 0.06 0.00 3.85 -1.26 -2.10 117.12 112.55 3gk3 n MET 191 Ca 0.11 0.67 0.15 0.00 -1.00 0.00 0.00 57.70 57.63 3gk3 n MET 191 Cb 0.38 -1.30 0.65 0.00 -1.05 0.00 0.00 33.22 31.90 3gk3 n MET 191 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3gk3 h VAL 192 N 0.00 0.84 0.00 3.17 2.07 -1.56 0.25 116.25 121.02 3gk3 h VAL 192 Ca 0.00 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 3gk3 h VAL 192 Cb 0.00 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3gk3 h VAL 192 CO 0.00 0.01 -0.23 -0.33 0.02 0.00 0.00 177.57 177.04 3gk3 h GLU 193 N 0.06 0.00 0.00 1.57 5.08 -0.28 -1.77 114.58 119.24 3gk3 h GLU 193 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3gk3 h GLU 193 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3gk3 h GLU 193 CO -0.01 0.23 0.05 0.00 -1.00 0.00 0.00 179.01 178.27 3gk3 n ALA 194 N -2.30 0.94 -2.20 3.43 0.00 0.89 -4.65 120.51 116.62 3gk3 n ALA 194 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.02 3gk3 n ALA 194 Cb 0.36 -0.88 -0.05 0.00 0.00 0.00 0.00 19.45 18.88 3gk3 n ALA 194 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3gk3 s VAL 195 N -2.77 4.45 0.24 0.00 1.01 -0.67 -4.98 120.40 117.68 3gk3 s VAL 195 Ca 0.00 2.06 -0.31 0.00 0.00 0.00 0.00 61.98 63.73 3gk3 s VAL 195 Cb 0.00 -4.32 -0.14 0.00 0.00 0.00 0.00 36.38 31.92 3gk3 s VAL 195 CO 0.00 0.34 1.24 -2.65 0.00 0.00 0.00 175.10 174.03 3gk3 n PRO 196 N 2.61 1.62 -0.16 2.72 -0.02 -1.26 -4.75 135.00 135.76 3gk3 n PRO 196 Ca 0.02 0.57 0.14 0.00 -2.02 0.00 0.00 63.50 62.21 3gk3 n PRO 196 Cb 0.49 -2.11 0.49 0.00 -0.02 0.00 0.00 33.50 32.34 3gk3 n PRO 196 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 3gk3 h GLN 197 N 3.34 0.44 0.00 -0.52 -0.00 -1.93 0.23 115.11 116.67 3gk3 h GLN 197 Ca -0.43 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.19 3gk3 h GLN 197 Cb 1.31 -0.10 0.00 0.00 -0.00 0.00 0.00 27.48 28.69 3gk3 h GLN 197 CO 0.70 0.29 0.00 0.38 -0.00 0.00 0.00 178.83 180.20 3gk3 h ASP 198 N 0.45 0.00 0.14 0.06 2.03 -1.98 -0.29 116.42 116.83 3gk3 h ASP 198 Ca 0.36 0.00 -0.31 0.00 -0.73 0.00 0.00 57.03 56.34 3gk3 h ASP 198 Cb 0.76 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.26 3gk3 h ASP 198 CO -0.12 0.00 -1.59 0.58 -1.03 0.00 0.00 179.24 177.08 3gk3 h VAL 199 N 0.00 0.96 -0.93 4.15 2.07 -0.94 -2.99 116.25 118.57 3gk3 h VAL 199 Ca 0.00 -2.43 0.15 0.00 0.82 0.00 0.00 66.70 65.23 3gk3 h VAL 199 Cb 0.66 2.71 -0.09 0.00 -1.52 0.00 0.00 31.29 33.05 3gk3 h VAL 199 CO 0.00 0.78 0.54 0.25 0.02 0.00 0.00 177.57 179.15 3gk3 h LEU 200 N -0.12 0.71 -0.39 2.57 5.85 -1.06 -1.11 115.31 121.75 3gk3 h LEU 200 Ca -0.33 0.08 -0.18 0.00 0.84 0.00 0.00 57.88 58.29 3gk3 h LEU 200 Cb 1.91 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.88 3gk3 h LEU 200 CO 0.10 0.32 -0.79 -0.33 -0.34 0.00 0.00 178.44 177.40 3gk3 h GLU 201 N 0.77 0.21 0.06 1.25 5.08 -1.17 0.85 114.58 121.63 3gk3 h GLU 201 Ca 0.50 -0.20 -0.21 0.00 -1.00 0.00 0.00 59.36 58.45 3gk3 h GLU 201 Cb 0.65 0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.97 3gk3 h GLU 201 CO -0.33 0.90 -0.86 0.00 -1.00 0.00 0.00 179.01 177.72 3gk3 h ALA 202 N 1.04 0.02 0.00 3.43 0.00 -1.25 -3.39 119.26 119.11 3gk3 h ALA 202 Ca -0.03 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3gk3 h ALA 202 Cb 1.38 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3gk3 h ALA 202 CO 0.12 0.48 -0.95 0.36 0.00 0.00 0.00 179.25 179.26 3gk3 n LYS 203 N -4.05 3.67 -0.12 0.00 0.00 -0.48 -4.72 118.16 112.46 3gk3 n LYS 203 Ca -0.12 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 57.94 3gk3 n LYS 203 Cb 0.81 -0.97 -0.09 0.00 -0.00 0.00 0.00 35.03 34.77 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 -1.91 1.52 0.03 0.58 2.08 -0.84 -4.65 119.36 116.18 3gk3 n ILE 204 Ca 0.00 -0.23 -0.04 0.00 0.56 0.00 0.00 62.75 63.04 3gk3 n ILE 204 Cb 0.46 -1.99 0.17 0.00 -0.75 0.00 0.00 39.64 37.53 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 -1.00 0.45 -2.22 1.39 3.38 -1.06 -2.24 115.31 114.01 3gk3 h LEU 205 Ca -0.52 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 57.32 3gk3 h LEU 205 Cb 1.44 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 3gk3 h LEU 205 CO -0.32 0.77 0.25 -0.65 0.09 0.00 0.00 178.44 178.59 3gk3 h PRO 206 N 0.37 0.00 0.00 1.13 0.11 -1.82 0.13 132.00 131.91 3gk3 h PRO 206 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3gk3 h PRO 206 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3gk3 h PRO 206 CO 0.06 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 179.81 3gk3 h GLN 207 N 0.00 0.00 -4.86 1.05 4.20 -1.66 -3.43 115.11 110.40 3gk3 h GLN 207 Ca 0.08 0.00 -0.68 0.00 0.06 0.00 0.00 58.65 58.11 3gk3 h GLN 207 Cb 0.58 0.00 -0.31 0.00 0.30 0.00 0.00 27.48 28.05 3gk3 h GLN 207 CO -0.00 0.00 -0.72 0.42 -0.67 0.00 0.00 178.83 177.86 3gk3 s ILE 208 N -3.24 3.02 0.14 2.54 1.01 0.45 -4.42 121.20 120.70 3gk3 s ILE 208 Ca 0.07 -1.07 -0.15 0.00 0.00 0.00 0.00 60.65 59.50 3gk3 s ILE 208 Cb 0.10 -2.59 0.01 0.00 0.01 0.00 0.00 42.46 40.00 3gk3 s ILE 208 CO 0.51 0.11 1.69 -0.65 0.00 0.00 0.00 174.94 176.60 3gk3 h PRO 209 N 8.03 0.67 0.00 2.79 0.11 -1.75 -0.53 132.00 141.33 3gk3 h PRO 209 Ca -0.30 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3gk3 h PRO 209 Cb 1.10 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3gk3 h PRO 209 CO 0.57 0.62 0.05 -0.24 -0.21 0.00 0.00 178.00 178.79 3gk3 h VAL 210 N 0.58 0.00 0.00 3.15 3.04 -1.78 -3.45 116.25 117.78 3gk3 h VAL 210 Ca 0.15 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.84 3gk3 h VAL 210 Cb 0.20 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 30.26 3gk3 h VAL 210 CO -0.01 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.16 3gk3 n GLY 211 N -1.17 0.77 3.11 3.17 0.00 -0.21 -5.01 105.19 105.84 3gk3 n GLY 211 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.36 0.66 0.69 1.61 1.70 -1.26 -4.98 118.95 117.00 3gk3 s ARG 212 Ca 0.00 -1.14 -0.17 0.00 -0.47 0.00 0.00 55.73 53.95 3gk3 s ARG 212 Cb 0.00 -0.03 0.01 0.00 -0.57 0.00 0.00 34.95 34.36 3gk3 s ARG 212 CO 0.00 -0.05 1.23 1.28 -1.08 0.00 0.00 175.30 176.69 3gk3 n LEU 213 N 0.39 5.38 -4.82 -1.89 4.77 -1.26 -4.98 117.00 114.59 3gk3 n LEU 213 Ca -0.15 0.76 -0.35 0.00 -0.03 0.00 0.00 56.01 56.24 3gk3 n LEU 213 Cb 0.59 -1.53 -0.06 0.00 -2.33 0.00 0.00 43.42 40.10 3gk3 n LEU 213 CO 0.27 -1.28 0.47 -0.83 -1.33 0.00 0.00 177.39 174.70 3gk3 s GLY 214 N -1.55 2.53 -0.00 -0.72 0.00 -0.49 -4.78 107.32 102.30 3gk3 s GLY 214 Ca 0.80 0.20 -0.23 0.00 0.00 0.00 0.00 44.72 45.48 3gk3 s GLY 214 CO 0.44 0.51 0.69 0.50 0.00 0.00 0.00 173.10 175.23 3gk3 s ARG 215 N -2.43 4.42 0.50 2.90 0.52 -1.26 -0.92 118.95 122.67 3gk3 s ARG 215 Ca 0.49 0.90 0.28 0.00 -0.52 0.00 0.00 55.73 56.88 3gk3 s ARG 215 Cb -0.14 -3.38 1.37 0.00 0.52 0.00 0.00 34.95 33.32 3gk3 s ARG 215 CO 0.19 0.26 1.86 -1.35 0.02 0.00 0.00 175.30 176.28 3gk3 h PRO 216 N 5.92 0.12 -0.47 3.54 0.11 -1.92 -0.70 132.00 138.61 3gk3 h PRO 216 Ca -0.44 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.63 3gk3 h PRO 216 Cb 1.20 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3gk3 h PRO 216 CO 0.72 0.08 0.12 0.22 -0.21 0.00 0.00 178.00 178.93 3gk3 h ASP 217 N 0.13 0.64 0.19 -2.05 3.58 -1.90 -1.54 116.42 115.47 3gk3 h ASP 217 Ca 0.47 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.82 3gk3 h ASP 217 Cb 1.65 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 42.53 3gk3 h ASP 217 CO -0.08 0.63 -0.14 -0.33 -2.88 0.00 0.00 179.24 176.45 3gk3 h GLU 218 N 0.68 -0.32 -0.55 0.28 5.08 -1.51 0.12 114.58 118.36 3gk3 h GLU 218 Ca 0.16 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.60 3gk3 h GLU 218 Cb 0.24 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.51 3gk3 h GLU 218 CO -0.00 -0.21 0.27 0.28 -1.00 0.00 0.00 179.01 178.34 3gk3 h VAL 219 N -0.33 0.91 -0.09 3.13 2.07 -1.54 0.93 116.25 121.34 3gk3 h VAL 219 Ca -0.01 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3gk3 h VAL 219 Cb 0.29 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3gk3 h VAL 219 CO -0.00 0.09 0.03 0.00 0.02 0.00 0.00 177.57 177.71 3gk3 h ALA 220 N 1.32 1.89 -0.11 1.67 0.00 -1.06 -2.17 119.26 120.80 3gk3 h ALA 220 Ca 0.25 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 3gk3 h ALA 220 Cb 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3gk3 h ALA 220 CO -0.20 0.09 -0.34 0.00 0.00 0.00 0.00 179.25 178.81 3gk3 h ALA 221 N 1.92 0.18 -0.59 0.00 0.00 0.17 -1.48 119.26 119.46 3gk3 h ALA 221 Ca 0.03 -0.44 0.05 0.00 0.00 0.00 0.00 54.91 54.55 3gk3 h ALA 221 Cb 0.04 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3gk3 h ALA 221 CO -0.00 0.25 0.32 1.25 0.00 0.00 0.00 179.25 181.07 3gk3 h LEU 222 N -0.01 0.48 -0.80 0.00 5.85 -0.89 -1.72 115.31 118.21 3gk3 h LEU 222 Ca -0.01 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3gk3 h LEU 222 Cb 0.96 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 3gk3 h LEU 222 CO 0.07 0.32 0.51 0.40 -0.34 0.00 0.00 178.44 179.40 3gk3 h ILE 223 N 0.62 1.22 -0.92 4.05 2.04 -1.38 -1.28 117.51 121.85 3gk3 h ILE 223 Ca 0.26 -0.43 0.05 0.00 1.00 0.00 0.00 64.86 65.74 3gk3 h ILE 223 Cb 0.14 0.06 -0.06 0.00 -0.74 0.00 0.00 36.82 36.23 3gk3 h ILE 223 CO -0.16 0.22 0.60 0.00 0.00 0.00 0.00 178.15 178.81 3gk3 h ALA 224 N 1.28 1.46 -0.38 1.87 0.00 -0.82 -0.90 119.26 121.76 3gk3 h ALA 224 Ca 0.29 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3gk3 h ALA 224 Cb -0.09 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 3gk3 h ALA 224 CO -0.06 0.42 0.07 0.35 0.00 0.00 0.00 179.25 180.03 3gk3 h PHE 225 N 1.10 0.67 -0.27 0.00 3.57 -0.66 -2.74 116.94 118.60 3gk3 h PHE 225 Ca 0.38 -0.09 0.08 0.00 3.53 0.00 0.00 57.97 61.87 3gk3 h PHE 225 Cb 0.12 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 3gk3 h PHE 225 CO -0.00 0.67 0.21 -0.07 -2.23 0.00 0.00 178.31 176.88 3gk3 h LEU 226 N 0.48 0.00 -1.03 0.59 3.38 -0.57 -2.15 115.31 116.01 3gk3 h LEU 226 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3gk3 h LEU 226 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3gk3 h LEU 226 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 3gk3 s SER 228 N -1.96 4.49 0.00 0.00 1.04 -0.81 -4.96 113.70 111.51 3gk3 s SER 228 Ca 0.37 -0.27 0.06 0.00 0.48 0.00 0.00 55.95 56.59 3gk3 s SER 228 Cb 0.21 -0.19 0.37 0.00 0.10 0.00 0.00 66.02 66.50 3gk3 s SER 228 CO 0.33 -1.76 1.01 0.47 0.98 0.00 0.00 173.24 174.27 3gk3 n ASP 229 N -2.78 0.00 -0.50 7.02 8.00 -1.26 -2.45 116.55 124.59 3gk3 n ASP 229 Ca 0.14 -1.28 0.07 0.00 0.71 0.00 0.00 54.79 54.43 3gk3 n ASP 229 Cb 0.60 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.74 3gk3 n ASP 229 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3gk3 n ASP 230 N -0.63 1.97 -0.96 -2.24 8.00 -1.26 -4.54 116.55 116.89 3gk3 n ASP 230 Ca 0.05 -1.49 0.09 0.00 0.71 0.00 0.00 54.79 54.15 3gk3 n ASP 230 Cb 0.02 0.18 0.20 0.00 -0.02 0.00 0.00 41.12 41.50 3gk3 n ASP 230 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gk3 n ALA 231 N 0.47 2.34 0.26 2.24 0.00 -1.03 -4.70 120.51 120.09 3gk3 n ALA 231 Ca 0.08 -1.06 0.11 0.00 0.00 0.00 0.00 53.44 52.56 3gk3 n ALA 231 Cb 0.35 -0.69 0.57 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 3.42 0.00 -0.80 0.00 0.00 -1.80 -1.93 103.07 101.96 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 0.00 0.00 -0.06 0.33 0.00 0.00 0.00 176.54 176.81 3gk3 n PHE 233 N -2.49 0.00 -3.21 5.60 7.35 -1.26 -4.81 117.46 118.64 3gk3 n PHE 233 Ca -0.01 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.27 3gk3 n PHE 233 Cb 0.38 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.13 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 -1.07 5.01 -0.12 -2.13 1.01 -0.73 -5.07 120.40 117.30 3gk3 s VAL 234 Ca 0.12 0.65 -0.30 0.00 0.00 0.00 0.00 61.98 62.46 3gk3 s VAL 234 Cb 0.09 -3.93 0.09 0.00 0.00 0.00 0.00 36.38 32.64 3gk3 s VAL 234 CO 0.17 -0.10 0.80 0.28 0.00 0.00 0.00 175.10 176.26 3gk3 s THR 235 N 2.43 0.00 0.00 3.92 -1.32 -1.26 -4.55 115.64 114.86 3gk3 s THR 235 Ca 0.21 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.69 3gk3 s THR 235 Cb -0.15 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.84 3gk3 s THR 235 CO 0.12 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.14 3gk3 n GLY 236 N 1.16 0.49 3.82 6.08 0.00 0.35 -4.95 105.19 112.15 3gk3 n GLY 236 Ca -0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.21 3.54 -0.33 4.61 0.00 -1.26 -4.73 121.76 121.38 3gk3 s ALA 237 Ca 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 51.96 51.89 3gk3 s ALA 237 Cb 0.00 -2.65 0.02 0.00 0.00 0.00 0.00 23.12 20.49 3gk3 s ALA 237 CO 0.00 0.40 0.13 0.34 0.00 0.00 0.00 175.76 176.63 3gk3 s ASP 238 N -1.49 5.41 -0.39 0.00 2.15 -1.26 -0.81 116.67 120.28 3gk3 s ASP 238 Ca 0.36 -0.83 -0.14 0.00 0.43 0.00 0.00 52.55 52.37 3gk3 s ASP 238 Cb -0.17 -1.94 0.01 0.00 -0.30 0.00 0.00 42.92 40.52 3gk3 s ASP 238 CO 0.20 -0.27 0.27 -0.76 -0.17 0.00 0.00 175.17 174.44 3gk3 s LEU 239 N 1.52 4.90 -0.14 -1.34 1.02 0.18 -4.96 118.68 119.87 3gk3 s LEU 239 Ca 0.02 -0.80 -0.24 0.00 0.02 0.00 0.00 54.13 53.12 3gk3 s LEU 239 Cb -0.18 -2.13 -0.02 0.00 0.02 0.00 0.00 46.19 43.87 3gk3 s LEU 239 CO 0.04 -0.39 0.77 0.00 0.02 0.00 0.00 176.35 176.80 3gk3 s ALA 240 N 1.67 3.46 -0.49 4.21 0.00 -1.26 -1.67 121.76 127.68 3gk3 s ALA 240 Ca 0.05 0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.08 3gk3 s ALA 240 Cb -0.19 -3.12 0.16 0.00 0.00 0.00 0.00 23.12 19.97 3gk3 s ALA 240 CO 0.10 -0.48 0.36 -1.50 0.00 0.00 0.00 175.76 174.23 3gk3 s ILE 241 N 1.72 1.19 -0.02 0.00 2.07 -0.69 -4.91 121.20 120.56 3gk3 s ILE 241 Ca 0.37 -3.02 0.02 0.00 -1.41 0.00 0.00 60.65 56.61 3gk3 s ILE 241 Cb -0.17 -1.81 0.04 0.00 0.13 0.00 0.00 42.46 40.65 3gk3 s ILE 241 CO 0.14 -1.11 0.82 -0.46 -1.91 0.00 0.00 174.94 172.43 3gk3 n ASN 242 N 2.79 0.62 -2.05 4.50 0.23 -1.26 -1.47 115.26 118.62 3gk3 n ASN 242 Ca 0.23 -1.75 -0.20 0.00 -0.53 0.00 0.00 54.58 52.33 3gk3 n ASN 242 Cb 0.42 -0.12 -0.03 0.00 -2.08 0.00 0.00 39.78 37.97 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 -0.27 0.18 1.46 4.83 0.00 -1.26 -2.01 105.19 108.12 3gk3 n GLY 243 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.90 0.76 0.29 -0.02 0.00 -1.26 -2.04 105.19 102.02 3gk3 n GLY 244 Ca -0.22 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 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 3.64 0.72 -3.73 1.61 -1.53 -1.61 -3.41 114.93 110.61 3gk3 h MET 245 Ca 0.00 -0.16 -0.32 0.00 -3.44 0.00 0.00 59.70 55.77 3gk3 h MET 245 Cb 0.00 -0.10 -0.33 0.00 -0.55 0.00 0.00 31.60 30.62 3gk3 h MET 245 CO 0.00 0.70 -0.74 -1.58 0.14 0.00 0.00 176.91 175.43 3gk3 s HIS 246 N -5.06 0.24 0.14 1.39 5.65 -1.26 -5.00 115.29 111.39 3gk3 s HIS 246 Ca -0.09 0.01 0.04 0.00 0.25 0.00 0.00 55.06 55.28 3gk3 s HIS 246 Cb 0.15 -0.33 -0.04 0.00 -1.18 0.00 0.00 32.58 31.18 3gk3 s HIS 246 CO 0.79 -0.10 -0.10 -1.64 -0.65 0.00 0.00 174.74 173.05 3gk3 s MET 247 N 0.83 1.04 0.00 2.88 1.00 -1.26 -4.97 119.30 118.82 3gk3 s MET 247 Ca -0.08 -1.44 0.00 0.00 0.00 0.00 0.00 55.69 54.17 3gk3 s MET 247 Cb -0.11 -0.58 0.00 0.00 0.00 0.00 0.00 34.83 34.14 3gk3 s MET 247 CO -0.02 0.06 0.00 -1.13 0.00 0.00 0.00 175.02 173.94