#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gk3 s LYS 9 N 0.00 2.71 -0.03 1.96 2.47 -1.26 -0.10 119.74 125.48 2gk3 s LYS 9 Ca 0.00 -1.03 0.04 0.00 -1.56 0.00 0.00 55.97 53.42 2gk3 s LYS 9 Cb 0.00 -2.72 -0.00 0.00 -1.46 0.00 0.00 37.83 33.65 2gk3 s LYS 9 CO 0.00 -0.35 -0.15 0.08 0.16 0.00 0.00 175.35 175.09 2gk3 s VAL 10 N 1.22 1.25 -0.40 4.02 1.01 -0.20 0.36 120.40 127.65 2gk3 s VAL 10 Ca -0.00 -0.62 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 2gk3 s VAL 10 Cb -0.16 -1.07 0.03 0.00 0.00 0.00 0.00 36.38 35.18 2gk3 s VAL 10 CO -0.09 0.36 0.27 -0.22 0.00 0.00 0.00 175.10 175.42 2gk3 s LEU 11 N 0.01 5.00 -0.36 3.92 0.20 -0.49 -1.11 118.68 125.85 2gk3 s LEU 11 Ca -0.02 -1.02 -0.12 0.00 0.69 0.00 0.00 54.13 53.66 2gk3 s LEU 11 Cb -0.10 -2.09 0.00 0.00 -0.43 0.00 0.00 46.19 43.57 2gk3 s LEU 11 CO 0.01 -0.45 0.23 0.12 -0.29 0.00 0.00 176.35 175.98 2gk3 s PHE 12 N 1.61 3.23 -0.15 5.38 5.36 -0.69 0.13 117.98 132.84 2gk3 s PHE 12 Ca 0.03 -0.55 -0.04 0.00 -0.96 0.00 0.00 56.93 55.41 2gk3 s PHE 12 Cb -0.20 -2.48 -0.03 0.00 -0.34 0.00 0.00 43.02 39.97 2gk3 s PHE 12 CO 0.08 -0.51 0.00 0.42 -1.46 0.00 0.00 175.22 173.76 2gk3 s ILE 13 N 1.65 4.28 0.00 3.12 1.01 0.14 -4.44 121.20 126.95 2gk3 s ILE 13 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.47 2gk3 s ILE 13 Cb -0.18 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.41 2gk3 s ILE 13 CO 0.09 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.15 2gk3 n GLY 14 N 3.22 0.70 3.65 6.18 0.00 -1.26 -1.66 105.19 116.02 2gk3 n GLY 14 Ca -0.17 -1.72 -0.27 0.00 0.00 0.00 0.00 46.02 43.85 2gk3 n GLY 14 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gk3 n GLU 15 N 0.00 -3.61 -3.99 1.61 -0.58 -0.49 -4.43 120.64 109.16 2gk3 n GLU 15 Ca 0.00 0.46 -0.09 0.00 -0.42 0.00 0.00 57.16 57.11 2gk3 n GLU 15 Cb 0.00 -5.20 -0.11 0.00 -0.57 0.00 0.00 31.44 25.56 2gk3 n GLU 15 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2gk3 s SER 16 N -2.93 0.26 0.04 1.62 1.04 -1.26 -0.31 113.70 112.15 2gk3 s SER 16 Ca 0.52 -0.53 -0.26 0.00 0.48 0.00 0.00 55.95 56.16 2gk3 s SER 16 Cb -0.28 0.11 0.06 0.00 0.10 0.00 0.00 66.02 66.01 2gk3 s SER 16 CO 0.64 -0.32 0.61 -1.66 0.98 0.00 0.00 173.24 173.49 2gk3 s TRP 17 N -1.63 -0.56 -0.16 5.02 -2.14 -0.83 -4.65 118.94 113.99 2gk3 s TRP 17 Ca -0.14 0.72 -0.01 0.00 2.66 0.00 0.00 56.10 59.33 2gk3 s TRP 17 Cb -0.09 0.43 -0.00 0.00 -3.10 0.00 0.00 33.47 30.71 2gk3 s TRP 17 CO -0.02 -0.68 -0.13 -1.58 -2.66 0.00 0.00 176.95 171.88 2gk3 s HIS 18 N -2.25 2.82 -0.25 1.66 2.46 -1.26 -1.17 115.29 117.29 2gk3 s HIS 18 Ca -0.06 -0.99 -0.05 0.00 0.47 0.00 0.00 55.06 54.43 2gk3 s HIS 18 Cb -0.01 -1.92 -0.01 0.00 -0.13 0.00 0.00 32.58 30.52 2gk3 s HIS 18 CO 0.00 -0.46 0.02 0.42 -2.47 0.00 0.00 174.74 172.26 2gk3 s ILE 19 N 0.88 3.77 0.00 0.89 1.01 -0.38 -4.99 121.20 122.37 2gk3 s ILE 19 Ca -0.04 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.11 2gk3 s ILE 19 Cb -0.15 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 39.51 2gk3 s ILE 19 CO -0.01 0.28 0.00 1.41 0.00 0.00 0.00 174.94 176.62 2gk3 n HIS 20 N 4.84 0.00 -3.23 3.97 -0.00 -1.26 0.15 115.22 119.70 2gk3 n HIS 20 Ca -0.16 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.59 2gk3 n HIS 20 Cb 0.50 -0.36 -0.03 0.00 -0.00 0.00 0.00 29.99 30.10 2gk3 n HIS 20 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2gk3 s ILE 22 N -0.34 -0.29 -0.43 1.59 1.01 -1.26 -5.02 121.20 116.45 2gk3 s ILE 22 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.53 2gk3 s ILE 22 Cb 0.00 -1.00 0.06 0.00 0.01 0.00 0.00 42.46 41.53 2gk3 s ILE 22 CO 0.00 0.00 0.29 -1.00 0.00 0.00 0.00 174.94 174.23 2gk3 s HIS 23 N 2.59 3.28 -0.34 3.97 3.76 0.80 -4.97 115.29 124.39 2gk3 s HIS 23 Ca -0.02 -1.18 -0.15 0.00 -0.15 0.00 0.00 55.06 53.56 2gk3 s HIS 23 Cb -0.07 -2.90 -0.01 0.00 1.11 0.00 0.00 32.58 30.71 2gk3 s HIS 23 CO -0.14 -0.78 0.37 -1.12 -0.85 0.00 0.00 174.74 172.22 2gk3 s SER 24 N 2.13 6.19 -0.55 1.40 0.01 -1.26 -1.59 113.70 120.04 2gk3 s SER 24 Ca 0.03 -0.20 -0.02 0.00 1.31 0.00 0.00 55.95 57.07 2gk3 s SER 24 Cb -0.22 -2.20 0.14 0.00 0.21 0.00 0.00 66.02 63.95 2gk3 s SER 24 CO 0.05 -0.34 0.35 -0.54 0.41 0.00 0.00 173.24 173.16 2gk3 s LYS 25 N 2.04 2.33 7.79 12.44 1.02 0.86 -4.98 119.74 141.25 2gk3 s LYS 25 Ca 0.12 -2.30 0.00 0.00 0.02 0.00 0.00 55.97 53.81 2gk3 s LYS 25 Cb -0.16 -3.65 0.00 0.00 -0.52 0.00 0.00 37.83 33.50 2gk3 s LYS 25 CO 0.12 -1.13 0.00 0.41 -0.92 0.00 0.00 175.35 173.82 2gk3 n GLY 26 N 3.82 3.40 0.19 -3.33 0.00 -1.26 -2.92 105.19 105.08 2gk3 n GLY 26 Ca 0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 46.02 45.92 2gk3 n GLY 26 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2gk3 h TYR 27 N 0.00 0.32 -2.64 1.61 3.20 -2.02 -3.46 116.97 113.98 2gk3 h TYR 27 Ca 0.00 -0.10 -0.48 0.00 3.14 0.00 0.00 58.73 61.28 2gk3 h TYR 27 Cb 0.00 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.20 2gk3 h TYR 27 CO 0.00 0.72 -0.28 -0.51 -1.64 0.00 0.00 178.16 176.44 2gk3 s ASP 28 N -6.88 6.32 0.03 -2.11 1.01 -1.15 -5.12 116.67 108.78 2gk3 s ASP 28 Ca -0.04 0.34 -0.03 0.00 0.71 0.00 0.00 52.55 53.52 2gk3 s ASP 28 Cb 0.13 -1.98 -0.02 0.00 1.01 0.00 0.00 42.92 42.06 2gk3 s ASP 28 CO 0.79 -0.18 0.04 -0.94 0.21 0.00 0.00 175.17 175.09 2gk3 s SER 29 N -3.84 0.23 0.22 0.27 1.04 -1.26 -0.10 113.70 110.26 2gk3 s SER 29 Ca 0.38 -0.57 0.07 0.00 0.48 0.00 0.00 55.95 56.30 2gk3 s SER 29 Cb -0.10 0.18 -0.05 0.00 0.10 0.00 0.00 66.02 66.16 2gk3 s SER 29 CO 0.33 -0.45 -0.11 0.72 0.98 0.00 0.00 173.24 174.71 2gk3 s PHE 30 N -2.39 1.70 0.26 5.02 -0.12 -0.62 -4.95 117.98 116.89 2gk3 s PHE 30 Ca -0.07 -0.66 0.12 0.00 -0.05 0.00 0.00 56.93 56.27 2gk3 s PHE 30 Cb -0.03 -0.86 -0.05 0.00 -0.63 0.00 0.00 43.02 41.45 2gk3 s PHE 30 CO -0.04 0.27 -0.20 0.95 -0.05 0.00 0.00 175.22 176.15 2gk3 s THR 31 N -3.06 2.51 -0.00 -4.49 -4.23 -1.26 -0.14 115.64 104.96 2gk3 s THR 31 Ca 0.24 -2.29 -0.00 0.00 -1.18 0.00 0.00 61.69 58.46 2gk3 s THR 31 Cb 0.01 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.56 2gk3 s THR 31 CO 0.08 -0.33 0.01 -0.55 -0.54 0.00 0.00 174.62 173.29 2gk3 s SER 32 N -3.31 -0.00 0.00 3.99 0.15 -1.26 -4.99 113.70 108.28 2gk3 s SER 32 Ca 0.28 0.00 -0.00 0.00 0.70 0.00 0.00 55.95 56.93 2gk3 s SER 32 Cb -0.06 0.03 -0.00 0.00 -1.71 0.00 0.00 66.02 64.28 2gk3 s SER 32 CO 0.14 -0.02 0.00 -0.44 1.20 0.00 0.00 173.24 174.12 2gk3 s SER 33 N -0.06 0.04 -0.11 5.45 0.01 -1.26 -3.98 113.70 113.78 2gk3 s SER 33 Ca -0.01 -0.09 -0.16 0.00 1.31 0.00 0.00 55.95 57.00 2gk3 s SER 33 Cb -0.01 0.03 0.04 0.00 0.21 0.00 0.00 66.02 66.30 2gk3 s SER 33 CO -0.00 -0.06 0.42 -1.59 0.41 0.00 0.00 173.24 172.41 2gk3 s LYS 34 N -0.29 0.59 -0.01 12.44 -2.85 0.40 -4.89 119.74 125.13 2gk3 s LYS 34 Ca -0.03 0.36 -0.10 0.00 -1.00 0.00 0.00 55.97 55.20 2gk3 s LYS 34 Cb -0.02 0.28 -0.05 0.00 -2.06 0.00 0.00 37.83 35.98 2gk3 s LYS 34 CO -0.00 -0.12 0.30 -0.47 0.10 0.00 0.00 175.35 175.17 2gk3 s TYR 35 N -0.31 3.63 0.04 1.78 5.04 -1.26 -1.25 117.35 125.02 2gk3 s TYR 35 Ca -0.05 0.72 0.01 0.00 -2.44 0.00 0.00 57.07 55.31 2gk3 s TYR 35 Cb -0.03 -2.09 -0.03 0.00 0.35 0.00 0.00 41.96 40.15 2gk3 s TYR 35 CO 0.02 0.63 -0.05 -1.21 -1.34 0.00 0.00 175.55 173.61 2gk3 s GLU 36 N -1.43 0.50 -0.07 4.97 2.02 -0.32 -5.01 118.70 119.36 2gk3 s GLU 36 Ca 0.25 -0.88 0.05 0.00 0.02 0.00 0.00 54.97 54.41 2gk3 s GLU 36 Cb -0.14 -0.02 -0.00 0.00 0.10 0.00 0.00 34.13 34.07 2gk3 s GLU 36 CO 0.13 -0.03 -0.23 -1.21 0.02 0.00 0.00 175.26 173.94 2gk3 s GLU 37 N -2.33 2.55 0.22 1.61 2.02 -1.26 -1.97 118.70 119.53 2gk3 s GLU 37 Ca -0.06 -0.81 0.23 0.00 0.02 0.00 0.00 54.97 54.35 2gk3 s GLU 37 Cb -0.04 -2.06 0.12 0.00 0.10 0.00 0.00 34.13 32.25 2gk3 s GLU 37 CO -0.03 0.26 1.18 0.78 0.02 0.00 0.00 175.26 177.47 2gk3 h GLY 38 N 6.39 0.00 -1.49 -1.39 0.00 -1.02 -3.39 103.07 102.16 2gk3 h GLY 38 Ca -0.27 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 2gk3 h GLY 38 CO 0.47 0.00 -0.60 0.00 0.00 0.00 0.00 176.54 176.41 2gk3 n ALA 39 N -2.10 3.54 0.02 3.60 0.00 -1.26 -4.83 120.51 119.49 2gk3 n ALA 39 Ca 0.01 -3.19 -0.11 0.00 0.00 0.00 0.00 53.44 50.15 2gk3 n ALA 39 Cb 0.52 -0.41 -0.05 0.00 0.00 0.00 0.00 19.45 19.51 2gk3 n ALA 39 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2gk3 h THR 40 N 1.99 0.87 -0.21 0.00 2.02 -1.94 0.29 112.91 115.93 2gk3 h THR 40 Ca -0.01 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.05 2gk3 h THR 40 Cb 1.16 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 68.45 2gk3 h THR 40 CO 0.06 0.00 -0.33 -0.25 0.37 0.00 0.00 175.52 175.37 2gk3 h TRP 41 N -0.05 0.74 -0.35 3.16 2.91 -1.96 -0.74 115.95 119.67 2gk3 h TRP 41 Ca 0.04 -0.25 0.07 0.00 1.13 0.00 0.00 58.89 59.88 2gk3 h TRP 41 Cb 0.10 -0.14 -0.09 0.00 -0.51 0.00 0.00 29.16 28.52 2gk3 h TRP 41 CO -0.14 0.99 -0.34 1.25 -1.03 0.00 0.00 178.44 179.16 2gk3 h LEU 42 N 0.28 -1.13 -1.33 0.65 7.12 -1.90 0.33 115.31 119.33 2gk3 h LEU 42 Ca 0.02 0.19 0.04 0.00 0.13 0.00 0.00 57.88 58.26 2gk3 h LEU 42 Cb 0.91 0.51 -0.04 0.00 -0.53 0.00 0.00 40.66 41.51 2gk3 h LEU 42 CO 0.08 -0.34 0.48 -0.07 -0.13 0.00 0.00 178.44 178.46 2gk3 h LEU 43 N -0.29 0.74 -0.36 2.25 3.38 -0.23 0.34 115.31 121.14 2gk3 h LEU 43 Ca 0.15 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 2gk3 h LEU 43 Cb 0.55 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2gk3 h LEU 43 CO -0.51 0.51 -0.44 -0.08 0.09 0.00 0.00 178.44 178.00 2gk3 h GLU 44 N 0.86 0.93 -0.84 1.13 4.81 -0.28 -2.04 114.58 119.15 2gk3 h GLU 44 Ca 0.29 -0.52 -0.04 0.00 -0.13 0.00 0.00 59.36 58.97 2gk3 h GLU 44 Cb 0.09 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 2gk3 h GLU 44 CO -0.09 1.17 0.38 0.00 -0.73 0.00 0.00 179.01 179.75 2gk3 h LEU 46 N 1.20 0.86 -0.39 0.00 3.38 -0.79 -1.70 115.31 117.87 2gk3 h LEU 46 Ca 0.28 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 2gk3 h LEU 46 Cb 0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2gk3 h LEU 46 CO -0.03 0.85 -0.09 0.03 0.09 0.00 0.00 178.44 179.28 2gk3 h ARG 47 N 0.83 0.75 0.00 1.13 3.08 -1.19 -1.01 114.38 117.97 2gk3 h ARG 47 Ca 0.19 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 2gk3 h ARG 47 Cb 0.30 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 2gk3 h ARG 47 CO -0.00 0.88 -0.04 0.87 -1.07 0.00 0.00 179.97 180.61 2gk3 h LYS 48 N 0.56 0.00 -0.64 0.04 1.57 -1.10 -2.31 116.57 114.68 2gk3 h LYS 48 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2gk3 h LYS 48 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2gk3 h LYS 48 CO 0.04 0.04 0.00 0.41 -0.57 0.00 0.00 179.45 179.37 2gk3 n GLY 49 N -0.57 2.42 0.69 3.86 0.00 -0.64 -4.94 105.19 106.02 2gk3 n GLY 49 Ca -0.01 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2gk3 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gk3 n GLY 50 N 0.88 0.74 3.67 -0.02 0.00 -0.87 -5.02 105.19 104.57 2gk3 n GLY 50 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 2gk3 n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gk3 s VAL 51 N -2.30 4.99 -0.48 1.61 1.01 -0.43 -4.20 120.40 120.60 2gk3 s VAL 51 Ca 0.00 1.34 -0.22 0.00 0.00 0.00 0.00 61.98 63.10 2gk3 s VAL 51 Cb 0.00 -4.01 0.04 0.00 0.00 0.00 0.00 36.38 32.41 2gk3 s VAL 51 CO 0.00 0.11 0.74 -0.62 0.00 0.00 0.00 175.10 175.33 2gk3 s ASP 52 N 1.12 6.32 -0.17 3.32 2.15 0.86 -3.88 116.67 126.39 2gk3 s ASP 52 Ca 0.32 -0.42 -0.05 0.00 0.43 0.00 0.00 52.55 52.83 2gk3 s ASP 52 Cb -0.16 -2.35 -0.03 0.00 -0.30 0.00 0.00 42.92 40.07 2gk3 s ASP 52 CO 0.12 -0.94 0.00 -0.63 -0.17 0.00 0.00 175.17 173.55 2gk3 s ILE 53 N 3.14 4.18 -0.38 4.11 1.01 -1.26 -1.04 121.20 130.97 2gk3 s ILE 53 Ca 0.24 -0.25 -0.15 0.00 0.00 0.00 0.00 60.65 60.49 2gk3 s ILE 53 Cb -0.14 -2.86 0.00 0.00 0.01 0.00 0.00 42.46 39.46 2gk3 s ILE 53 CO 0.18 0.47 0.34 -1.81 0.00 0.00 0.00 174.94 174.12 2gk3 s ASP 54 N 0.51 6.14 0.47 3.58 1.01 -0.26 -4.99 116.67 123.12 2gk3 s ASP 54 Ca -0.01 -0.55 0.03 0.00 0.71 0.00 0.00 52.55 52.73 2gk3 s ASP 54 Cb -0.14 -2.18 0.07 0.00 1.01 0.00 0.00 42.92 41.68 2gk3 s ASP 54 CO 0.02 -0.41 0.54 0.00 0.21 0.00 0.00 175.17 175.53 2gk3 n TYR 55 N 5.33 -2.82 -3.99 4.23 9.36 -1.26 -1.70 117.16 126.31 2gk3 n TYR 55 Ca -0.10 -1.19 -0.09 0.00 3.32 0.00 0.00 57.90 59.85 2gk3 n TYR 55 Cb 0.48 -0.38 -0.11 0.00 -0.63 0.00 0.00 39.34 38.70 2gk3 n TYR 55 CO 0.00 0.00 0.00 -2.14 0.22 0.00 0.00 176.86 174.94 2gk3 s PRO 57 N -3.80 0.40 0.32 2.98 0.02 -1.26 -4.98 135.00 128.68 2gk3 s PRO 57 Ca 0.39 -0.71 0.06 0.00 0.02 0.00 0.00 61.00 60.75 2gk3 s PRO 57 Cb -0.03 0.15 0.71 0.00 0.02 0.00 0.00 34.50 35.35 2gk3 s PRO 57 CO 0.25 -0.07 1.85 0.00 -0.33 0.00 0.00 177.00 178.70 2gk3 h ALA 58 N 4.27 1.70 0.00 -1.55 0.00 -1.83 -0.13 119.26 121.72 2gk3 h ALA 58 Ca -0.32 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2gk3 h ALA 58 Cb 1.19 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2gk3 h ALA 58 CO 0.46 0.05 -0.15 1.12 0.00 0.00 0.00 179.25 180.73 2gk3 h HIS 59 N 0.82 0.00 -0.39 0.00 2.07 -1.98 -2.02 115.15 113.65 2gk3 h HIS 59 Ca 0.47 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.89 2gk3 h HIS 59 Cb 0.63 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.60 2gk3 h HIS 59 CO -0.00 0.15 -0.18 1.15 -3.07 0.00 0.00 177.93 175.98 2gk3 h THR 60 N 0.00 1.26 -0.82 6.12 2.02 -1.44 -2.76 112.91 117.31 2gk3 h THR 60 Ca -0.00 -1.25 0.09 0.00 0.77 0.00 0.00 66.41 66.02 2gk3 h THR 60 Cb 0.27 1.16 -0.06 0.00 -1.74 0.00 0.00 68.15 67.78 2gk3 h THR 60 CO 0.02 0.42 0.53 0.58 0.37 0.00 0.00 175.52 177.44 2gk3 h VAL 61 N 0.65 0.97 0.00 3.16 2.07 -1.25 0.63 116.25 122.48 2gk3 h VAL 61 Ca 0.10 -0.27 -0.14 0.00 0.82 0.00 0.00 66.70 67.21 2gk3 h VAL 61 Cb 0.66 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 2gk3 h VAL 61 CO 0.05 0.14 -0.65 1.56 0.02 0.00 0.00 177.57 178.69 2gk3 h GLN 62 N 0.79 0.00 0.01 1.57 4.20 -1.42 -3.32 115.11 116.95 2gk3 h GLN 62 Ca 0.37 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.81 2gk3 h GLN 62 Cb 0.40 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.14 2gk3 h GLN 62 CO -0.14 0.65 -1.49 -0.89 -0.67 0.00 0.00 178.83 176.28 2gk3 n ILE 63 N -3.76 1.56 -3.05 2.54 5.41 -0.77 -1.64 119.36 119.65 2gk3 n ILE 63 Ca -0.01 -0.14 -0.16 0.00 1.00 0.00 0.00 62.75 63.44 2gk3 n ILE 63 Cb 0.64 -1.98 -0.02 0.00 -0.71 0.00 0.00 39.64 37.57 2gk3 n ILE 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2gk3 n ALA 64 N -3.45 2.44 -2.54 -1.39 0.00 0.21 -4.97 120.51 110.82 2gk3 n ALA 64 Ca -0.35 -3.39 -0.38 0.00 0.00 0.00 0.00 53.44 49.32 2gk3 n ALA 64 Cb 0.75 -0.92 -0.06 0.00 0.00 0.00 0.00 19.45 19.22 2gk3 n ALA 64 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2gk3 s PHE 65 N -2.63 3.66 0.18 0.00 5.36 -1.25 -4.79 117.98 118.51 2gk3 s PHE 65 Ca 0.37 1.02 -0.33 0.00 -0.96 0.00 0.00 56.93 57.03 2gk3 s PHE 65 Cb 0.37 -2.45 -0.13 0.00 -0.34 0.00 0.00 43.02 40.47 2gk3 s PHE 65 CO -0.06 0.43 1.60 -2.30 -1.46 0.00 0.00 175.22 173.43 2gk3 n PRO 66 N 2.57 2.30 -0.02 10.12 -0.02 -1.26 -4.90 135.00 143.79 2gk3 n PRO 66 Ca -0.10 0.83 0.03 0.00 -2.02 0.00 0.00 63.50 62.24 2gk3 n PRO 66 Cb 0.52 -2.61 -0.14 0.00 -0.02 0.00 0.00 33.50 31.25 2gk3 n PRO 66 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2gk3 n GLU 67 N 3.36 0.66 -3.47 -0.52 1.02 -1.26 -4.93 120.64 115.51 2gk3 n GLU 67 Ca 0.16 -0.05 -0.38 0.00 -0.02 0.00 0.00 57.16 56.87 2gk3 n GLU 67 Cb 0.31 -1.59 -0.06 0.00 -0.02 0.00 0.00 31.44 30.08 2gk3 n GLU 67 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2gk3 s SER 68 N -5.08 6.83 0.26 1.62 1.04 -1.26 -4.95 113.70 112.16 2gk3 s SER 68 Ca -0.07 0.98 -0.02 0.00 0.48 0.00 0.00 55.95 57.32 2gk3 s SER 68 Cb 0.10 -2.26 0.43 0.00 0.10 0.00 0.00 66.02 64.39 2gk3 s SER 68 CO 0.86 0.30 1.85 -0.29 0.98 0.00 0.00 173.24 176.94 2gk3 h ILE 69 N 3.74 1.00 -0.47 -1.02 6.09 -1.94 -2.85 117.51 122.07 2gk3 h ILE 69 Ca -0.51 -0.35 -0.03 0.00 -1.37 0.00 0.00 64.86 62.61 2gk3 h ILE 69 Cb 1.22 -0.10 -0.02 0.00 0.47 0.00 0.00 36.82 38.38 2gk3 h ILE 69 CO 0.62 0.18 0.17 0.44 -3.07 0.00 0.00 178.15 176.50 2gk3 h ASP 70 N 1.01 0.61 -0.19 2.19 3.32 -1.99 0.48 116.42 121.86 2gk3 h ASP 70 Ca 0.43 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.39 2gk3 h ASP 70 Cb 0.29 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 2gk3 h ASP 70 CO -0.21 0.57 0.05 -0.08 -1.72 0.00 0.00 179.24 177.84 2gk3 h GLU 71 N 0.66 0.30 -0.58 3.56 4.81 -1.93 -3.16 114.58 118.24 2gk3 h GLU 71 Ca 0.16 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.24 2gk3 h GLU 71 Cb 0.16 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 2gk3 h GLU 71 CO -0.01 0.42 0.04 -0.07 -0.73 0.00 0.00 179.01 178.66 2gk3 h LEU 72 N 0.12 0.94 -2.26 1.64 3.38 -1.28 -3.16 115.31 114.70 2gk3 h LEU 72 Ca 0.06 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.84 2gk3 h LEU 72 Cb 0.26 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2gk3 h LEU 72 CO -0.00 0.97 0.22 0.78 0.09 0.00 0.00 178.44 180.50 2gk3 h ASN 73 N 0.91 0.00 0.29 -0.43 2.35 -0.89 0.23 115.58 118.04 2gk3 h ASN 73 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2gk3 h ASN 73 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 2gk3 h ASN 73 CO 0.02 0.00 0.00 0.03 -1.65 0.00 0.00 177.43 175.83 2gk3 h ARG 74 N 0.00 0.00 -5.97 0.81 3.08 -1.59 -3.43 114.38 107.29 2gk3 h ARG 74 Ca 0.07 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.51 2gk3 h ARG 74 Cb 0.51 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.51 2gk3 h ARG 74 CO -0.00 0.00 -0.22 0.71 -1.07 0.00 0.00 179.97 179.39 2gk3 s TYR 75 N -3.57 3.71 0.07 3.04 2.02 0.07 -4.89 117.35 117.80 2gk3 s TYR 75 Ca -0.01 0.95 0.09 0.00 -0.37 0.00 0.00 57.07 57.73 2gk3 s TYR 75 Cb 0.08 -2.27 -0.22 0.00 -0.40 0.00 0.00 41.96 39.16 2gk3 s TYR 75 CO 0.31 0.63 1.11 -0.44 -1.57 0.00 0.00 175.55 175.59 2gk3 h ASP 76 N 4.81 0.00 -4.71 2.29 3.32 -0.37 -3.45 116.42 118.32 2gk3 h ASP 76 Ca -0.51 -0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.38 2gk3 h ASP 76 Cb 1.22 -0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.55 2gk3 h ASP 76 CO 0.62 1.00 -0.51 -0.69 -1.72 0.00 0.00 179.24 177.94 2gk3 s VAL 77 N -2.68 0.07 -0.06 -1.35 1.01 -1.16 -1.74 120.40 114.49 2gk3 s VAL 77 Ca -0.01 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.49 2gk3 s VAL 77 Cb 0.09 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 2gk3 s VAL 77 CO 0.82 -0.30 -0.22 -0.63 0.00 0.00 0.00 175.10 174.78 2gk3 s ILE 78 N -1.05 2.37 -0.12 2.22 1.01 0.60 -1.40 121.20 124.82 2gk3 s ILE 78 Ca -0.11 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.59 2gk3 s ILE 78 Cb -0.06 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.51 2gk3 s ILE 78 CO 0.01 0.57 -0.17 -0.69 0.00 0.00 0.00 174.94 174.66 2gk3 s VAL 79 N -0.28 2.65 -0.19 2.92 1.01 0.12 -1.19 120.40 125.44 2gk3 s VAL 79 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2gk3 s VAL 79 Cb -0.13 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.19 2gk3 s VAL 79 CO 0.03 0.54 -0.17 -0.63 0.00 0.00 0.00 175.10 174.86 2gk3 s ILE 80 N 0.35 2.28 -0.03 2.22 1.01 0.01 0.24 121.20 127.28 2gk3 s ILE 80 Ca -0.14 -0.88 -0.01 0.00 0.00 0.00 0.00 60.65 59.62 2gk3 s ILE 80 Cb -0.17 -1.98 0.03 0.00 0.01 0.00 0.00 42.46 40.35 2gk3 s ILE 80 CO 0.07 0.51 0.05 -0.55 0.00 0.00 0.00 174.94 175.02 2gk3 s SER 81 N 1.32 0.52 -1.58 3.58 0.15 -0.66 -1.18 113.70 115.85 2gk3 s SER 81 Ca 0.05 0.08 -0.14 0.00 0.70 0.00 0.00 55.95 56.64 2gk3 s SER 81 Cb -0.13 -0.07 0.10 0.00 -1.71 0.00 0.00 66.02 64.21 2gk3 s SER 81 CO -0.11 -0.18 0.89 0.47 1.20 0.00 0.00 173.24 175.50 2gk3 n ASP 82 N 4.69 -4.01 -3.84 5.45 8.00 -1.26 -1.40 116.55 124.18 2gk3 n ASP 82 Ca -0.17 -0.87 -0.20 0.00 0.71 0.00 0.00 54.79 54.27 2gk3 n ASP 82 Cb 0.50 -3.48 -0.17 0.00 -0.02 0.00 0.00 41.12 37.95 2gk3 n ASP 82 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2gk3 s ILE 83 N -3.34 0.38 0.56 0.53 2.07 -1.15 -4.43 121.20 115.82 2gk3 s ILE 83 Ca 0.64 -0.01 -0.05 0.00 -1.41 0.00 0.00 60.65 59.82 2gk3 s ILE 83 Cb -0.33 -0.46 -0.00 0.00 0.13 0.00 0.00 42.46 41.80 2gk3 s ILE 83 CO 0.86 0.20 0.86 -0.83 -1.91 0.00 0.00 174.94 174.13 2gk3 s GLY 84 N 1.15 1.58 0.45 1.50 0.00 -1.10 -4.63 107.32 106.27 2gk3 s GLY 84 Ca -0.08 -0.69 0.14 0.00 0.00 0.00 0.00 44.72 44.09 2gk3 s GLY 84 CO -0.01 -0.44 2.02 1.48 0.00 0.00 0.00 173.10 176.14 2gk3 h SER 85 N -0.04 0.30 -0.86 1.64 4.64 -1.55 -2.19 113.55 115.49 2gk3 h SER 85 Ca -0.46 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 60.96 2gk3 h SER 85 Cb 1.25 -0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 63.21 2gk3 h SER 85 CO 0.60 0.19 0.56 0.78 -0.87 0.00 0.00 176.83 178.10 2gk3 h ASN 86 N 0.34 0.77 -0.45 4.97 2.35 -1.86 -1.12 115.58 120.58 2gk3 h ASN 86 Ca 0.21 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.93 2gk3 h ASN 86 Cb 0.40 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 2gk3 h ASN 86 CO -0.05 0.46 0.10 0.74 -1.65 0.00 0.00 177.43 177.03 2gk3 h THR 87 N 0.86 1.23 -0.07 2.81 2.02 -1.71 -0.26 112.91 117.77 2gk3 h THR 87 Ca 0.39 -0.84 -0.24 0.00 0.77 0.00 0.00 66.41 66.49 2gk3 h THR 87 Cb 0.39 0.72 0.01 0.00 -1.74 0.00 0.00 68.15 67.54 2gk3 h THR 87 CO -0.16 0.31 -0.92 -0.26 0.37 0.00 0.00 175.52 174.86 2gk3 h PHE 88 N 0.77 1.03 0.00 3.16 -1.00 -1.46 -3.33 116.94 116.10 2gk3 h PHE 88 Ca 0.17 -0.51 0.00 0.00 2.81 0.00 0.00 57.97 60.44 2gk3 h PHE 88 Cb 0.32 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 39.74 2gk3 h PHE 88 CO 0.02 1.34 -0.56 -0.07 -1.61 0.00 0.00 178.31 177.43 2gk3 h LEU 89 N 0.45 0.00 -5.16 1.54 3.38 -1.09 -3.39 115.31 111.04 2gk3 h LEU 89 Ca -0.09 -0.03 -0.52 0.00 0.09 0.00 0.00 57.88 57.33 2gk3 h LEU 89 Cb 1.56 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.90 2gk3 h LEU 89 CO 0.18 0.01 -0.89 0.18 0.09 0.00 0.00 178.44 178.01 2gk3 n LEU 90 N -2.74 3.21 -4.69 1.67 4.77 -0.12 -4.94 117.00 114.16 2gk3 n LEU 90 Ca 0.02 -5.03 -0.31 0.00 -0.03 0.00 0.00 56.01 50.66 2gk3 n LEU 90 Cb 0.52 -0.07 0.15 0.00 -2.33 0.00 0.00 43.42 41.69 2gk3 n LEU 90 CO 0.37 2.16 0.68 -1.10 -1.33 0.00 0.00 177.39 178.16 2gk3 s GLN 91 N -3.21 1.24 0.33 3.23 -0.21 -1.25 -4.55 119.66 115.24 2gk3 s GLN 91 Ca 0.43 1.38 0.04 0.00 0.02 0.00 0.00 55.36 57.23 2gk3 s GLN 91 Cb 0.36 -1.77 0.66 0.00 1.00 0.00 0.00 33.01 33.27 2gk3 s GLN 91 CO -0.11 -2.42 1.92 -0.91 -2.12 0.00 0.00 175.29 171.65 2gk3 h ASN 92 N -1.71 0.77 -0.03 5.90 2.35 -1.66 -0.05 115.58 121.15 2gk3 h ASN 92 Ca -0.44 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.29 2gk3 h ASN 92 Cb 1.26 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.47 2gk3 h ASN 92 CO 0.45 0.48 -0.04 -0.33 -1.65 0.00 0.00 177.43 176.34 2gk3 h GLU 93 N 0.87 0.20 0.04 0.81 4.39 -1.91 0.13 114.58 119.11 2gk3 h GLU 93 Ca 0.37 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.04 2gk3 h GLU 93 Cb 0.31 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2gk3 h GLU 93 CO -0.14 0.26 -0.02 1.15 -1.16 0.00 0.00 179.01 179.10 2gk3 h THR 94 N 0.20 0.15 -0.10 1.13 2.02 -1.27 -0.38 112.91 114.66 2gk3 h THR 94 Ca 0.05 -1.06 -0.19 0.00 0.77 0.00 0.00 66.41 65.98 2gk3 h THR 94 Cb 0.21 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 66.89 2gk3 h THR 94 CO 0.01 0.05 -0.73 0.15 0.37 0.00 0.00 175.52 175.37 2gk3 h PHE 95 N -1.01 0.65 0.00 3.16 3.57 -1.09 -3.18 116.94 119.04 2gk3 h PHE 95 Ca -0.01 -0.29 -0.22 0.00 3.53 0.00 0.00 57.97 60.99 2gk3 h PHE 95 Cb 0.12 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 2gk3 h PHE 95 CO 0.02 1.05 -1.84 0.66 -2.23 0.00 0.00 178.31 175.97 2gk3 n TYR 96 N -3.86 0.00 1.06 0.41 4.01 -0.06 -4.67 117.16 114.04 2gk3 n TYR 96 Ca -0.05 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.82 2gk3 n TYR 96 Cb 0.71 -0.57 0.41 0.00 -0.31 0.00 0.00 39.34 39.57 2gk3 n TYR 96 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2gk3 n GLN 97 N -2.90 0.12 -2.14 -0.72 1.13 -0.61 -4.93 117.38 107.32 2gk3 n GLN 97 Ca -0.26 -0.05 -0.19 0.00 -1.94 0.00 0.00 57.00 54.56 2gk3 n GLN 97 Cb 0.79 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.61 2gk3 n GLN 97 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2gk3 n LEU 98 N -1.39 -1.73 -4.91 1.08 4.77 -0.52 -4.95 117.00 109.36 2gk3 n LEU 98 Ca 0.07 0.11 -0.28 0.00 -0.03 0.00 0.00 56.01 55.88 2gk3 n LEU 98 Cb 0.33 -2.68 -0.03 0.00 -2.33 0.00 0.00 43.42 38.71 2gk3 n LEU 98 CO 0.31 -0.40 0.22 -0.54 -1.33 0.00 0.00 177.39 175.65 2gk3 s LYS 99 N -4.58 3.63 0.04 3.23 3.01 -0.27 -5.02 119.74 119.78 2gk3 s LYS 99 Ca 0.00 0.02 -0.25 0.00 -1.01 0.00 0.00 55.97 54.73 2gk3 s LYS 99 Cb 0.00 -2.62 -0.05 0.00 -1.01 0.00 0.00 37.83 34.14 2gk3 s LYS 99 CO 0.00 0.18 0.76 0.42 0.51 0.00 0.00 175.35 177.22 2gk3 s ILE 100 N -2.14 4.75 0.04 2.17 1.01 -1.26 -4.31 121.20 121.46 2gk3 s ILE 100 Ca 0.44 1.62 -0.12 0.00 0.00 0.00 0.00 60.65 62.60 2gk3 s ILE 100 Cb -0.11 -4.11 0.01 0.00 0.01 0.00 0.00 42.46 38.27 2gk3 s ILE 100 CO 0.31 0.36 0.26 -1.59 0.00 0.00 0.00 174.94 174.28 2gk3 s LYS 101 N -0.01 0.76 0.51 2.79 -2.85 -1.26 -5.04 119.74 114.64 2gk3 s LYS 101 Ca 0.39 -0.54 -0.22 0.00 -1.00 0.00 0.00 55.97 54.60 2gk3 s LYS 101 Cb -0.20 0.32 -0.07 0.00 -2.06 0.00 0.00 37.83 35.82 2gk3 s LYS 101 CO 0.23 -0.23 1.15 -2.30 0.10 0.00 0.00 175.35 174.29 2gk3 n PRO 102 N 0.66 1.43 -2.57 1.78 -0.02 -1.26 -4.92 135.00 130.10 2gk3 n PRO 102 Ca -0.19 0.52 -0.43 0.00 -2.02 0.00 0.00 63.50 61.39 2gk3 n PRO 102 Cb 0.59 -2.30 -0.02 0.00 -0.02 0.00 0.00 33.50 31.75 2gk3 n PRO 102 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2gk3 s ASN 103 N -0.90 6.79 0.27 2.55 3.84 -1.26 -4.94 114.94 121.30 2gk3 s ASN 103 Ca 0.69 0.97 -0.03 0.00 0.21 0.00 0.00 52.86 54.70 2gk3 s ASN 103 Cb -0.46 -2.54 0.35 0.00 -0.55 0.00 0.00 41.25 38.04 2gk3 s ASN 103 CO 0.52 -1.02 1.84 0.00 -2.79 0.00 0.00 177.10 175.65 2gk3 h ALA 104 N 8.69 1.21 -0.39 1.71 0.00 -1.92 0.10 119.26 128.66 2gk3 h ALA 104 Ca -0.23 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 2gk3 h ALA 104 Cb 1.07 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2gk3 h ALA 104 CO 1.05 0.57 -0.18 -0.07 0.00 0.00 0.00 179.25 180.63 2gk3 h LEU 105 N 0.95 0.75 -0.62 0.00 3.38 -1.92 0.11 115.31 117.95 2gk3 h LEU 105 Ca 0.22 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2gk3 h LEU 105 Cb 0.20 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2gk3 h LEU 105 CO -0.02 0.92 0.12 -0.33 0.09 0.00 0.00 178.44 179.23 2gk3 h GLU 106 N 0.66 1.01 -0.51 1.13 4.39 -1.79 -0.26 114.58 119.21 2gk3 h GLU 106 Ca 0.10 -0.26 0.02 0.00 0.34 0.00 0.00 59.36 59.56 2gk3 h GLU 106 Cb 0.67 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.16 2gk3 h GLU 106 CO 0.05 0.94 0.31 0.77 -1.16 0.00 0.00 179.01 179.91 2gk3 h SER 107 N 0.93 0.49 -0.18 1.42 0.02 -0.36 -0.32 113.55 115.55 2gk3 h SER 107 Ca 0.19 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 2gk3 h SER 107 Cb 0.40 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 2gk3 h SER 107 CO 0.01 0.35 -0.02 0.40 -1.14 0.00 0.00 176.83 176.42 2gk3 h ILE 108 N 0.61 1.27 -0.88 3.27 2.04 -0.63 0.11 117.51 123.30 2gk3 h ILE 108 Ca 0.21 -0.94 0.10 0.00 1.00 0.00 0.00 64.86 65.23 2gk3 h ILE 108 Cb 0.02 1.54 -0.08 0.00 -0.74 0.00 0.00 36.82 37.56 2gk3 h ILE 108 CO -0.09 0.28 0.52 0.50 0.00 0.00 0.00 178.15 179.35 2gk3 h LYS 109 N 0.05 0.82 -0.48 2.37 3.64 -0.90 -1.24 116.57 120.83 2gk3 h LYS 109 Ca 0.05 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.25 2gk3 h LYS 109 Cb 0.43 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2gk3 h LYS 109 CO 0.01 0.55 -0.19 1.49 -2.27 0.00 0.00 179.45 179.04 2gk3 h GLU 110 N 0.85 0.97 -0.64 1.90 4.57 -0.78 -2.33 114.58 119.12 2gk3 h GLU 110 Ca 0.43 -0.41 0.09 0.00 -1.18 0.00 0.00 59.36 58.29 2gk3 h GLU 110 Cb 0.40 -0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 28.89 2gk3 h GLU 110 CO -0.26 1.08 0.28 -0.92 -1.18 0.00 0.00 179.01 178.01 2gk3 h TYR 111 N 0.83 0.50 -0.14 0.92 3.20 0.31 -1.95 116.97 120.65 2gk3 h TYR 111 Ca 0.11 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.88 2gk3 h TYR 111 Cb 0.76 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 2gk3 h TYR 111 CO 0.05 0.17 -0.48 0.28 -1.64 0.00 0.00 178.16 176.54 2gk3 h VAL 112 N 0.50 1.33 -0.77 1.81 2.07 -1.12 -2.40 116.25 117.67 2gk3 h VAL 112 Ca 0.31 -1.70 0.02 0.00 0.82 0.00 0.00 66.70 66.15 2gk3 h VAL 112 Cb 0.34 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 2gk3 h VAL 112 CO -0.27 0.52 0.50 0.11 0.02 0.00 0.00 177.57 178.45 2gk3 h LYS 113 N 0.29 0.98 0.00 1.57 1.57 -0.97 0.14 116.57 120.16 2gk3 h LYS 113 Ca 0.02 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2gk3 h LYS 113 Cb 0.96 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2gk3 h LYS 113 CO 0.08 0.65 0.00 0.09 -0.57 0.00 0.00 179.45 179.70 2gk3 n ASN 114 N -4.57 0.00 0.00 0.86 4.13 -0.77 -2.78 115.26 112.13 2gk3 n ASN 114 Ca 0.08 -0.89 0.00 0.00 1.68 0.00 0.00 54.58 55.45 2gk3 n ASN 114 Cb 0.04 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.28 2gk3 n ASN 114 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2gk3 n GLY 115 N 0.57 2.13 3.74 7.41 0.00 -0.89 -4.89 105.19 113.26 2gk3 n GLY 115 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 2gk3 n GLY 115 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gk3 s GLY 116 N -1.99 2.83 0.29 -0.02 0.00 -0.92 -4.18 107.32 103.33 2gk3 s GLY 116 Ca 0.00 1.17 -0.16 0.00 0.00 0.00 0.00 44.72 45.73 2gk3 s GLY 116 CO 0.00 1.61 0.73 -0.32 0.00 0.00 0.00 173.10 175.12 2gk3 s GLY 117 N -1.35 2.41 -0.06 0.20 0.00 -0.71 -3.83 107.32 103.99 2gk3 s GLY 117 Ca 0.77 0.08 0.00 0.00 0.00 0.00 0.00 44.72 45.58 2gk3 s GLY 117 CO 0.39 0.33 -0.04 -2.27 0.00 0.00 0.00 173.10 171.51 2gk3 s LEU 118 N -2.69 1.14 0.00 0.66 2.96 -0.67 -0.29 118.68 119.78 2gk3 s LEU 118 Ca 0.51 -0.13 0.00 0.00 -0.22 0.00 0.00 54.13 54.29 2gk3 s LEU 118 Cb -0.12 -0.48 0.00 0.00 0.50 0.00 0.00 46.19 46.09 2gk3 s LEU 118 CO 0.18 -0.09 0.00 -0.11 -1.32 0.00 0.00 176.35 175.01 2gk3 n LEU 119 N 4.37 0.00 -3.64 -0.68 7.94 -0.34 -0.16 117.00 124.50 2gk3 n LEU 119 Ca -0.20 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.60 2gk3 n LEU 119 Cb 0.51 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.39 2gk3 n LEU 119 CO 0.20 0.00 0.49 -0.63 -1.11 0.00 0.00 177.39 176.34 2gk3 s ILE 121 N -0.61 0.00 1.10 1.96 1.01 -0.32 -0.81 121.20 123.52 2gk3 s ILE 121 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 60.65 60.50 2gk3 s ILE 121 Cb 0.00 -1.00 0.24 0.00 0.01 0.00 0.00 42.46 41.71 2gk3 s ILE 121 CO 0.00 0.00 1.09 -0.83 0.00 0.00 0.00 174.94 175.20 2gk3 s GLY 122 N 0.71 1.56 0.00 6.18 0.00 0.04 -4.13 107.32 111.69 2gk3 s GLY 122 Ca -0.02 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.11 2gk3 s GLY 122 CO -0.07 0.14 0.00 0.61 0.00 0.00 0.00 173.10 173.79 2gk3 n GLY 123 N -0.90 -1.41 0.24 0.20 0.00 -1.26 -4.02 105.19 98.04 2gk3 n GLY 123 Ca 0.08 -1.53 0.11 0.00 0.00 0.00 0.00 46.02 44.68 2gk3 n GLY 123 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2gk3 h TYR 124 N 0.00 0.00 -0.09 1.61 -1.99 -1.96 -2.79 116.97 111.75 2gk3 h TYR 124 Ca 0.00 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.69 2gk3 h TYR 124 Cb 0.00 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.70 2gk3 h TYR 124 CO 0.00 0.19 -0.32 1.28 -0.00 0.00 0.00 178.16 179.31 2gk3 n LEU 125 N -3.61 3.05 -4.82 3.88 4.32 -1.26 -0.91 117.00 117.64 2gk3 n LEU 125 Ca -0.01 -3.74 -0.22 0.00 -0.02 0.00 0.00 56.01 52.02 2gk3 n LEU 125 Cb 0.32 -0.54 -0.04 0.00 -1.62 0.00 0.00 43.42 41.53 2gk3 n LEU 125 CO 0.32 1.26 -0.11 -0.44 -1.22 0.00 0.00 177.39 177.20 2gk3 s SER 126 N -2.98 5.07 0.00 -1.43 0.01 -1.06 -2.72 113.70 110.60 2gk3 s SER 126 Ca 0.39 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 57.04 2gk3 s SER 126 Cb 0.37 -0.85 0.00 0.00 0.21 0.00 0.00 66.02 65.74 2gk3 s SER 126 CO -0.04 -0.37 0.00 0.49 0.41 0.00 0.00 173.24 173.73 2gk3 n PHE 127 N -1.32 0.00 -2.86 2.43 3.72 -1.26 -4.74 117.46 113.42 2gk3 n PHE 127 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2gk3 n PHE 127 Cb 0.60 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 2gk3 n PHE 127 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2gk3 n GLY 129 N 0.00 -0.09 3.72 1.37 0.00 -1.26 -1.36 105.19 107.57 2gk3 n GLY 129 Ca 0.00 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 2gk3 n GLY 129 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2gk3 s ILE 130 N -2.99 3.31 -1.07 -0.61 2.07 -0.09 -1.43 121.20 120.39 2gk3 s ILE 130 Ca 0.00 0.97 0.00 0.00 -1.41 0.00 0.00 60.65 60.21 2gk3 s ILE 130 Cb 0.00 -3.62 0.00 0.00 0.13 0.00 0.00 42.46 38.97 2gk3 s ILE 130 CO 0.00 0.09 0.00 -0.62 -1.91 0.00 0.00 174.94 172.50 2gk3 n GLU 131 N 3.61 -1.81 -1.83 3.50 1.02 -1.26 -1.27 120.64 122.59 2gk3 n GLU 131 Ca 0.10 0.60 -0.18 0.00 -0.02 0.00 0.00 57.16 57.66 2gk3 n GLU 131 Cb 0.43 -5.02 -0.05 0.00 -0.02 0.00 0.00 31.44 26.78 2gk3 n GLU 131 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2gk3 n ALA 132 N -1.09 -0.41 0.06 0.62 0.00 -0.52 -4.81 120.51 114.36 2gk3 n ALA 132 Ca -0.12 0.24 -0.00 0.00 0.00 0.00 0.00 53.44 53.56 2gk3 n ALA 132 Cb 0.50 -1.88 0.29 0.00 0.00 0.00 0.00 19.45 18.36 2gk3 n ALA 132 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2gk3 h LYS 133 N 0.00 0.38 -0.70 0.00 1.57 -1.38 -2.76 116.57 113.68 2gk3 h LYS 133 Ca -0.39 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.25 2gk3 h LYS 133 Cb 1.23 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.47 2gk3 h LYS 133 CO 0.53 0.54 0.30 0.00 -0.57 0.00 0.00 179.45 180.25 2gk3 h ALA 134 N 1.49 1.22 -1.63 3.86 0.00 -1.81 -3.44 119.26 118.94 2gk3 h ALA 134 Ca 0.06 -0.16 -0.33 0.00 0.00 0.00 0.00 54.91 54.48 2gk3 h ALA 134 Cb 0.50 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 2gk3 h ALA 134 CO 0.03 0.58 -0.37 -1.71 0.00 0.00 0.00 179.25 177.79 2gk3 n ASN 135 N -4.31 -4.91 0.21 0.00 5.15 -1.04 -1.47 115.26 108.89 2gk3 n ASN 135 Ca 0.06 0.17 0.05 0.00 -0.60 0.00 0.00 54.58 54.27 2gk3 n ASN 135 Cb 0.16 -3.95 0.47 0.00 -0.53 0.00 0.00 39.78 35.93 2gk3 n ASN 135 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 2gk3 h TYR 136 N 0.00 0.00 -0.18 1.20 -1.99 -1.54 -2.44 116.97 112.03 2gk3 h TYR 136 Ca -0.36 0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.42 2gk3 h TYR 136 Cb 1.19 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.91 2gk3 h TYR 136 CO 0.45 0.24 0.14 -0.22 -0.00 0.00 0.00 178.16 178.76 2gk3 h LYS 137 N 0.00 0.00 -0.68 4.88 3.64 -1.90 -1.98 116.57 120.53 2gk3 h LYS 137 Ca -0.00 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 2gk3 h LYS 137 Cb 0.42 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.17 2gk3 h LYS 137 CO 0.03 0.00 0.15 0.09 -2.27 0.00 0.00 179.45 177.45 2gk3 n ASN 138 N -4.26 5.30 -4.48 4.20 3.02 -0.92 -4.77 115.26 113.35 2gk3 n ASN 138 Ca 0.01 -3.09 -0.23 0.00 -0.03 0.00 0.00 54.58 51.24 2gk3 n ASN 138 Cb 0.27 -0.72 -0.10 0.00 -0.61 0.00 0.00 39.78 38.61 2gk3 n ASN 138 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2gk3 s THR 139 N -2.89 1.79 -1.51 3.41 -4.23 -0.75 -5.02 115.64 106.45 2gk3 s THR 139 Ca 0.55 -2.12 0.13 0.00 -1.18 0.00 0.00 61.69 59.07 2gk3 s THR 139 Cb 0.43 -2.59 0.24 0.00 1.34 0.00 0.00 72.50 71.92 2gk3 s THR 139 CO 0.15 -0.21 1.29 1.33 -0.54 0.00 0.00 174.62 176.64 2gk3 n VAL 140 N -0.69 0.58 0.47 2.29 0.24 -1.26 -1.70 118.33 118.26 2gk3 n VAL 140 Ca -0.05 0.14 0.12 0.00 -2.04 0.00 0.00 64.34 62.51 2gk3 n VAL 140 Cb 0.64 -0.94 0.15 0.00 -1.47 0.00 0.00 33.84 32.22 2gk3 n VAL 140 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 2gk3 h LEU 141 N 0.00 0.00 -0.98 1.34 5.85 -1.85 -3.39 115.31 116.28 2gk3 h LEU 141 Ca 0.00 -0.16 0.11 0.00 0.84 0.00 0.00 57.88 58.68 2gk3 h LEU 141 Cb 0.10 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.05 2gk3 h LEU 141 CO 0.00 0.08 0.61 0.00 -0.34 0.00 0.00 178.44 178.79 2gk3 h ALA 142 N 2.40 1.46 0.00 1.25 0.00 -1.42 -2.37 119.26 120.58 2gk3 h ALA 142 Ca 0.00 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2gk3 h ALA 142 Cb 0.80 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2gk3 h ALA 142 CO 0.00 0.22 -0.28 1.05 0.00 0.00 0.00 179.25 180.23 2gk3 h GLU 143 N 0.97 0.00 -0.03 0.00 4.11 -1.81 -2.70 114.58 115.12 2gk3 h GLU 143 Ca 0.48 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.82 2gk3 h GLU 143 Cb 0.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2gk3 h GLU 143 CO -0.26 0.28 -0.42 0.28 0.07 0.00 0.00 179.01 178.96 2gk3 h VAL 144 N 0.00 1.31 -3.81 -1.06 2.07 -1.68 -3.46 116.25 109.61 2gk3 h VAL 144 Ca -0.00 -1.48 -0.48 0.00 0.82 0.00 0.00 66.70 65.56 2gk3 h VAL 144 Cb 0.70 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 2gk3 h VAL 144 CO 0.04 0.43 0.36 -0.76 0.02 0.00 0.00 177.57 177.65 2gk3 s LEU 145 N -8.12 4.50 0.00 2.57 1.43 -1.02 -4.76 118.68 113.29 2gk3 s LEU 145 Ca -0.03 1.93 0.14 0.00 -1.03 0.00 0.00 54.13 55.14 2gk3 s LEU 145 Cb 0.14 -3.79 0.83 0.00 0.03 0.00 0.00 46.19 43.40 2gk3 s LEU 145 CO 0.74 0.03 1.30 -0.81 0.23 0.00 0.00 176.35 177.84 2gk3 n PRO 146 N 1.05 0.64 -4.49 1.29 -0.04 -1.26 -4.76 135.00 127.43 2gk3 n PRO 146 Ca -0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 2gk3 n PRO 146 Cb 0.48 -1.34 -0.10 0.00 -0.04 0.00 0.00 33.50 32.50 2gk3 n PRO 146 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2gk3 s VAL 147 N -2.00 2.13 0.43 0.52 -7.23 -1.26 -1.75 120.40 111.24 2gk3 s VAL 147 Ca 0.21 -2.23 0.07 0.00 -1.81 0.00 0.00 61.98 58.21 2gk3 s VAL 147 Cb 0.10 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 2gk3 s VAL 147 CO 0.16 -0.29 0.19 -0.63 -0.31 0.00 0.00 175.10 174.22 2gk3 s ILE 148 N -2.70 2.15 0.40 -0.62 1.01 0.11 -4.85 121.20 116.70 2gk3 s ILE 148 Ca 0.31 -1.70 0.08 0.00 0.00 0.00 0.00 60.65 59.33 2gk3 s ILE 148 Cb 0.01 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 2gk3 s ILE 148 CO 0.15 0.00 0.45 -0.76 0.00 0.00 0.00 174.94 174.77 2gk3 s LEU 150 N -3.94 3.57 0.20 2.97 1.43 -1.26 -1.16 118.68 120.49 2gk3 s LEU 150 Ca 0.38 -0.54 0.26 0.00 -1.03 0.00 0.00 54.13 53.19 2gk3 s LEU 150 Cb 0.03 -2.36 0.69 0.00 0.03 0.00 0.00 46.19 44.58 2gk3 s LEU 150 CO 0.21 -0.63 1.67 0.44 0.23 0.00 0.00 176.35 178.27 2gk3 h ASP 151 N 0.90 0.00 0.00 2.29 3.32 -2.03 -3.48 116.42 117.42 2gk3 h ASP 151 Ca -0.42 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2gk3 h ASP 151 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2gk3 h ASP 151 CO 0.53 0.02 0.00 0.61 -1.72 0.00 0.00 179.24 178.68 2gk3 n GLY 152 N 1.30 5.22 3.70 2.75 0.00 -1.26 -5.07 105.19 111.84 2gk3 n GLY 152 Ca 0.05 -1.25 -0.55 0.00 0.00 0.00 0.00 46.02 44.26 2gk3 n GLY 152 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2gk3 n ASP 153 N 0.00 2.63 -0.96 1.61 -0.08 -1.26 -4.71 116.55 113.79 2gk3 n ASP 153 Ca 0.00 1.04 0.08 0.00 -1.51 0.00 0.00 54.79 54.40 2gk3 n ASP 153 Cb 0.00 -1.19 0.23 0.00 2.34 0.00 0.00 41.12 42.50 2gk3 n ASP 153 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2gk3 n ASP 154 N 5.77 3.61 -4.77 1.67 5.68 -1.23 -4.95 116.55 122.34 2gk3 n ASP 154 Ca 0.26 -2.30 -0.40 0.00 -0.50 0.00 0.00 54.79 51.85 2gk3 n ASP 154 Cb 0.17 -0.39 -0.02 0.00 -1.14 0.00 0.00 41.12 39.74 2gk3 n ASP 154 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2gk3 s ARG 155 N -1.55 4.22 -0.29 0.11 0.52 -1.26 0.40 118.95 121.10 2gk3 s ARG 155 Ca 0.35 2.12 0.01 0.00 -0.52 0.00 0.00 55.73 57.69 2gk3 s ARG 155 Cb 0.22 -2.93 0.06 0.00 0.52 0.00 0.00 34.95 32.82 2gk3 s ARG 155 CO 0.18 -0.27 -0.05 0.08 0.02 0.00 0.00 175.30 175.26 2gk3 s VAL 156 N -1.21 2.56 -0.13 3.52 1.01 0.11 -4.80 120.40 121.45 2gk3 s VAL 156 Ca 0.52 -1.59 -0.24 0.00 0.00 0.00 0.00 61.98 60.67 2gk3 s VAL 156 Cb -0.38 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 2gk3 s VAL 156 CO 0.49 -0.12 0.76 -1.61 0.00 0.00 0.00 175.10 174.63 2gk3 s GLU 157 N 1.15 4.34 -0.58 2.72 0.41 -1.26 -1.88 118.70 123.61 2gk3 s GLU 157 Ca -0.06 0.92 0.05 0.00 -0.41 0.00 0.00 54.97 55.48 2gk3 s GLU 157 Cb -0.20 -3.53 0.20 0.00 -1.78 0.00 0.00 34.13 28.82 2gk3 s GLU 157 CO -0.03 -0.17 0.51 1.63 -0.49 0.00 0.00 175.26 176.71 2gk3 n LYS 158 N 4.64 1.40 0.27 1.61 4.76 0.86 -4.94 118.16 126.75 2gk3 n LYS 158 Ca 0.02 -4.02 0.18 0.00 -2.87 0.00 0.00 58.31 51.61 2gk3 n LYS 158 Cb 0.50 -1.98 0.81 0.00 -1.84 0.00 0.00 35.03 32.52 2gk3 n LYS 158 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 2gk3 h PRO 159 N 5.03 0.00 0.00 1.97 0.13 -1.93 -0.11 132.00 137.09 2gk3 h PRO 159 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2gk3 h PRO 159 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2gk3 h PRO 159 CO 0.62 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.32 2gk3 h GLU 160 N 0.00 0.00 0.00 0.86 3.07 -1.92 -3.49 114.58 113.10 2gk3 h GLU 160 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2gk3 h GLU 160 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 2gk3 h GLU 160 CO 0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 2gk3 n GLY 161 N -0.32 -2.67 2.87 -3.84 0.00 -0.05 -5.07 105.19 96.11 2gk3 n GLY 161 Ca 0.01 -1.24 -0.14 0.00 0.00 0.00 0.00 46.02 44.65 2gk3 n GLY 161 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2gk3 s ILE 162 N -2.72 -0.04 0.43 -0.61 -5.25 0.07 -4.92 121.20 108.17 2gk3 s ILE 162 Ca 0.00 0.14 -0.21 0.00 -0.99 0.00 0.00 60.65 59.59 2gk3 s ILE 162 Cb 0.00 -0.14 -0.10 0.00 2.95 0.00 0.00 42.46 45.16 2gk3 s ILE 162 CO 0.00 0.06 0.97 0.00 -1.79 0.00 0.00 174.94 174.18 2gk3 s ALA 164 N -2.08 0.24 -0.14 0.00 0.00 -1.03 -4.59 121.76 114.16 2gk3 s ALA 164 Ca 0.62 -0.24 -0.08 0.00 0.00 0.00 0.00 51.96 52.26 2gk3 s ALA 164 Cb -0.12 -3.18 0.05 0.00 0.00 0.00 0.00 23.12 19.87 2gk3 s ALA 164 CO 0.16 -3.35 0.35 -1.21 0.00 0.00 0.00 175.76 171.71 2gk3 s GLU 165 N -4.71 0.33 -0.04 0.00 2.02 -0.58 -4.86 118.70 110.86 2gk3 s GLU 165 Ca 0.67 0.66 -0.30 0.00 0.02 0.00 0.00 54.97 56.02 2gk3 s GLU 165 Cb -0.22 -0.02 -0.03 0.00 0.10 0.00 0.00 34.13 33.96 2gk3 s GLU 165 CO 0.61 -0.14 1.02 0.00 0.02 0.00 0.00 175.26 176.77 2gk3 s ALA 166 N 1.17 3.30 -0.19 5.21 0.00 -1.26 -0.28 121.76 129.70 2gk3 s ALA 166 Ca -0.08 0.51 0.08 0.00 0.00 0.00 0.00 51.96 52.47 2gk3 s ALA 166 Cb -0.08 -3.40 -0.17 0.00 0.00 0.00 0.00 23.12 19.47 2gk3 s ALA 166 CO -0.09 -0.43 -0.08 1.33 0.00 0.00 0.00 175.76 176.49 2gk3 n VAL 167 N 4.20 1.20 -3.59 0.00 0.24 -0.55 -4.62 118.33 115.21 2gk3 n VAL 167 Ca 0.08 -0.59 -0.36 0.00 -2.04 0.00 0.00 64.34 61.43 2gk3 n VAL 167 Cb 0.49 -0.93 -0.06 0.00 -1.47 0.00 0.00 33.84 31.87 2gk3 n VAL 167 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2gk3 n SER 168 N -2.90 4.31 0.07 -1.34 7.64 -1.05 -4.91 113.62 115.44 2gk3 n SER 168 Ca -0.33 -3.16 0.08 0.00 1.01 0.00 0.00 58.87 56.47 2gk3 n SER 168 Cb 0.97 -1.05 0.37 0.00 -1.01 0.00 0.00 64.21 63.50 2gk3 n SER 168 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2gk3 n PRO 169 N 2.17 0.09 0.02 1.43 -0.02 -1.26 -2.18 135.00 135.25 2gk3 n PRO 169 Ca 0.22 0.40 0.12 0.00 -2.02 0.00 0.00 63.50 62.22 2gk3 n PRO 169 Cb 0.37 -1.70 0.23 0.00 -0.02 0.00 0.00 33.50 32.38 2gk3 n PRO 169 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2gk3 n GLU 170 N -1.88 0.09 -1.72 -0.52 0.00 -1.26 -3.41 120.64 111.94 2gk3 n GLU 170 Ca 0.02 0.02 -0.42 0.00 0.00 0.00 0.00 57.16 56.77 2gk3 n GLU 170 Cb 0.15 -1.55 -0.01 0.00 0.00 0.00 0.00 31.44 30.03 2gk3 n GLU 170 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 2gk3 n HIS 171 N -1.67 2.53 -0.35 -1.84 -0.00 -0.92 -4.67 115.22 108.30 2gk3 n HIS 171 Ca 0.05 0.45 0.26 0.00 0.46 0.00 0.00 57.72 58.93 2gk3 n HIS 171 Cb 0.37 -2.48 0.54 0.00 -0.12 0.00 0.00 29.99 28.29 2gk3 n HIS 171 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2gk3 h PRO 172 N 3.37 0.32 -0.57 1.57 0.13 -1.92 -0.40 132.00 134.51 2gk3 h PRO 172 Ca -0.47 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 2gk3 h PRO 172 Cb 1.26 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2gk3 h PRO 172 CO 0.68 0.21 0.04 0.28 -0.23 0.00 0.00 178.00 178.99 2gk3 h VAL 173 N 0.33 1.25 -0.05 1.56 2.07 -1.92 -3.33 116.25 116.17 2gk3 h VAL 173 Ca 0.64 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2gk3 h VAL 173 Cb 1.72 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 2gk3 h VAL 173 CO -0.33 0.38 0.00 1.33 0.02 0.00 0.00 177.57 178.97 2gk3 n VAL 174 N -4.21 0.32 -1.67 2.57 0.24 -0.72 -4.71 118.33 110.14 2gk3 n VAL 174 Ca 0.03 -0.66 -0.42 0.00 -2.04 0.00 0.00 64.34 61.25 2gk3 n VAL 174 Cb 0.30 0.90 -0.03 0.00 -1.47 0.00 0.00 33.84 33.55 2gk3 n VAL 174 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2gk3 n ASN 175 N 0.13 4.09 0.00 -1.34 5.15 -0.24 -1.56 115.26 121.50 2gk3 n ASN 175 Ca 0.03 0.94 0.00 0.00 -0.60 0.00 0.00 54.58 54.95 2gk3 n ASN 175 Cb 0.17 -1.53 0.00 0.00 -0.53 0.00 0.00 39.78 37.90 2gk3 n ASN 175 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2gk3 n GLY 176 N 4.42 3.06 3.70 8.20 0.00 -1.26 -5.04 105.19 118.26 2gk3 n GLY 176 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 2gk3 n GLY 176 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2gk3 n PHE 177 N -0.62 1.83 -4.00 1.61 3.01 -0.60 -5.01 117.46 113.69 2gk3 n PHE 177 Ca 0.00 0.45 -0.12 0.00 1.01 0.00 0.00 57.45 58.80 2gk3 n PHE 177 Cb 0.00 -2.30 -0.03 0.00 -0.01 0.00 0.00 39.48 37.14 2gk3 n PHE 177 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2gk3 s SER 178 N -0.94 0.41 -1.25 4.37 1.04 -1.26 -4.99 113.70 111.09 2gk3 s SER 178 Ca 0.71 -1.24 -0.13 0.00 0.48 0.00 0.00 55.95 55.77 2gk3 s SER 178 Cb -0.44 0.68 -0.00 0.00 0.10 0.00 0.00 66.02 66.36 2gk3 s SER 178 CO 0.50 -1.34 0.65 -0.67 0.98 0.00 0.00 173.24 173.36 2gk3 n ASP 179 N -1.10 -3.20 -4.70 7.02 2.03 -1.26 -4.85 116.55 110.49 2gk3 n ASP 179 Ca -0.02 -1.02 -0.44 0.00 0.52 0.00 0.00 54.79 53.84 2gk3 n ASP 179 Cb 0.61 -3.20 -0.03 0.00 -0.72 0.00 0.00 41.12 37.78 2gk3 n ASP 179 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2gk3 n TYR 180 N -4.32 2.57 -1.93 -0.67 4.02 -1.26 -4.97 117.16 110.60 2gk3 n TYR 180 Ca -0.18 0.08 -0.29 0.00 -0.01 0.00 0.00 57.90 57.50 2gk3 n TYR 180 Cb 0.63 -2.64 0.08 0.00 -0.02 0.00 0.00 39.34 37.39 2gk3 n TYR 180 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2gk3 s PRO 181 N 1.41 2.06 0.44 -0.72 0.04 -1.26 -4.56 135.00 132.41 2gk3 s PRO 181 Ca 0.78 0.10 -0.11 0.00 0.04 0.00 0.00 61.00 61.81 2gk3 s PRO 181 Cb -0.56 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 31.94 2gk3 s PRO 181 CO 0.35 -1.52 0.82 0.14 0.04 0.00 0.00 177.00 176.83 2gk3 s VAL 182 N -3.53 4.75 0.16 -0.36 -7.23 -1.26 -2.45 120.40 110.47 2gk3 s VAL 182 Ca 0.61 0.70 0.09 0.00 -1.81 0.00 0.00 61.98 61.57 2gk3 s VAL 182 Cb -0.11 -3.74 -0.04 0.00 0.56 0.00 0.00 36.38 33.04 2gk3 s VAL 182 CO 0.49 -0.60 -0.20 -0.36 -0.31 0.00 0.00 175.10 174.13 2gk3 s PHE 183 N -2.47 1.88 -2.39 2.82 0.40 -0.04 -4.19 117.98 113.99 2gk3 s PHE 183 Ca 0.52 -0.44 0.23 0.00 -0.60 0.00 0.00 56.93 56.64 2gk3 s PHE 183 Cb -0.10 -0.96 0.49 0.00 0.51 0.00 0.00 43.02 42.96 2gk3 s PHE 183 CO 0.33 0.33 1.44 1.28 0.70 0.00 0.00 175.22 179.30 2gk3 n LEU 184 N 0.45 3.32 0.00 -0.37 4.32 -0.56 -0.75 117.00 123.42 2gk3 n LEU 184 Ca -0.14 -1.47 0.00 0.00 -0.02 0.00 0.00 56.01 54.38 2gk3 n LEU 184 Cb 0.56 -0.27 0.00 0.00 -1.62 0.00 0.00 43.42 42.09 2gk3 n LEU 184 CO 0.28 0.73 0.00 0.61 -1.22 0.00 0.00 177.39 177.79 2gk3 n GLY 185 N 1.49 -2.72 3.63 -0.72 0.00 -1.26 -0.10 105.19 105.51 2gk3 n GLY 185 Ca 0.20 -1.29 -0.04 0.00 0.00 0.00 0.00 46.02 44.88 2gk3 n GLY 185 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2gk3 s TYR 186 N -2.04 -0.17 -0.09 1.61 -0.85 -0.79 -4.59 117.35 110.43 2gk3 s TYR 186 Ca 0.00 -0.00 -0.25 0.00 -0.52 0.00 0.00 57.07 56.30 2gk3 s TYR 186 Cb 0.00 0.57 -0.03 0.00 0.38 0.00 0.00 41.96 42.88 2gk3 s TYR 186 CO 0.00 -0.53 0.78 -0.80 -1.52 0.00 0.00 175.55 173.48 2gk3 s ASN 187 N -2.70 7.03 -0.05 -0.18 0.01 -1.26 0.09 114.94 117.88 2gk3 s ASN 187 Ca 0.10 1.25 -0.30 0.00 -0.71 0.00 0.00 52.86 53.20 2gk3 s ASN 187 Cb 0.00 -2.45 -0.02 0.00 0.41 0.00 0.00 41.25 39.19 2gk3 s ASN 187 CO -0.03 -0.23 1.02 -1.58 -1.51 0.00 0.00 177.10 174.77 2gk3 s GLN 188 N 1.28 4.47 0.15 -0.60 0.74 0.16 -4.88 119.66 121.00 2gk3 s GLN 188 Ca 0.40 1.45 0.01 0.00 0.05 0.00 0.00 55.36 57.26 2gk3 s GLN 188 Cb -0.18 -3.50 -0.00 0.00 1.10 0.00 0.00 33.01 30.43 2gk3 s GLN 188 CO 0.18 -0.21 0.18 0.00 -0.55 0.00 0.00 175.29 174.89 2gk3 n ALA 189 N 4.50 0.03 -3.75 1.58 0.00 -1.26 -4.26 120.51 117.35 2gk3 n ALA 189 Ca 0.08 -0.78 -0.25 0.00 0.00 0.00 0.00 53.44 52.48 2gk3 n ALA 189 Cb 0.49 0.63 -0.17 0.00 0.00 0.00 0.00 19.45 20.41 2gk3 n ALA 189 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2gk3 s VAL 190 N -2.60 0.96 0.38 0.00 1.01 -0.31 -4.50 120.40 115.33 2gk3 s VAL 190 Ca 0.15 -0.29 -0.28 0.00 0.00 0.00 0.00 61.98 61.56 2gk3 s VAL 190 Cb 0.00 -0.96 -0.10 0.00 0.00 0.00 0.00 36.38 35.32 2gk3 s VAL 190 CO 0.11 0.34 1.43 0.00 0.00 0.00 0.00 175.10 176.98 2gk3 s ALA 191 N 1.37 3.49 0.72 5.51 0.00 -1.26 0.05 121.76 131.65 2gk3 s ALA 191 Ca -0.02 1.48 -0.13 0.00 0.00 0.00 0.00 51.96 53.29 2gk3 s ALA 191 Cb -0.14 -3.58 0.03 0.00 0.00 0.00 0.00 23.12 19.44 2gk3 s ALA 191 CO -0.04 -0.98 1.11 1.03 0.00 0.00 0.00 175.76 176.87 2gk3 s ARG 192 N -2.10 2.48 0.19 0.00 0.52 -0.72 -4.81 118.95 114.52 2gk3 s ARG 192 Ca 0.53 1.31 -0.12 0.00 -0.52 0.00 0.00 55.73 56.93 2gk3 s ARG 192 Cb -0.44 -1.92 0.18 0.00 0.52 0.00 0.00 34.95 33.29 2gk3 s ARG 192 CO 0.59 -1.49 1.76 -0.44 0.02 0.00 0.00 175.30 175.75 2gk3 h ASP 193 N -0.55 0.26 0.00 0.23 3.32 -1.94 -2.21 116.42 115.53 2gk3 h ASP 193 Ca -0.45 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.65 2gk3 h ASP 193 Cb 1.24 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2gk3 h ASP 193 CO 0.52 0.18 0.00 0.47 -1.72 0.00 0.00 179.24 178.69 2gk3 n ASP 194 N -4.96 0.19 -4.56 6.45 9.92 -1.26 -4.84 116.55 117.49 2gk3 n ASP 194 Ca 0.06 -1.42 -0.30 0.00 -0.53 0.00 0.00 54.79 52.59 2gk3 n ASP 194 Cb 0.19 -0.10 -0.10 0.00 -0.64 0.00 0.00 41.12 40.47 2gk3 n ASP 194 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2gk3 s ALA 195 N -1.73 2.90 -0.37 2.24 0.00 -0.83 -4.83 121.76 119.13 2gk3 s ALA 195 Ca 0.00 -1.19 -0.17 0.00 0.00 0.00 0.00 51.96 50.60 2gk3 s ALA 195 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.21 2gk3 s ALA 195 CO 0.00 0.62 0.42 -0.51 0.00 0.00 0.00 175.76 176.30 2gk3 s ASP 196 N -1.92 6.21 -0.14 0.00 1.01 -0.62 -4.88 116.67 116.35 2gk3 s ASP 196 Ca 0.19 -0.34 -0.24 0.00 0.71 0.00 0.00 52.55 52.87 2gk3 s ASP 196 Cb -0.11 -2.22 -0.02 0.00 1.01 0.00 0.00 42.92 41.57 2gk3 s ASP 196 CO 0.11 -0.46 0.77 -0.69 0.21 0.00 0.00 175.17 175.11 2gk3 s VAL 197 N 2.15 4.95 -0.15 -1.27 1.01 -1.26 -1.00 120.40 124.83 2gk3 s VAL 197 Ca 0.13 1.53 -0.01 0.00 0.00 0.00 0.00 61.98 63.64 2gk3 s VAL 197 Cb -0.16 -4.09 -0.09 0.00 0.00 0.00 0.00 36.38 32.04 2gk3 s VAL 197 CO 0.13 0.11 -0.14 0.52 0.00 0.00 0.00 175.10 175.72 2gk3 n VAL 198 N 4.41 0.84 -4.33 2.92 0.31 -0.08 -4.31 118.33 118.09 2gk3 n VAL 198 Ca 0.02 -0.30 -0.25 0.00 -0.01 0.00 0.00 64.34 63.80 2gk3 n VAL 198 Cb 0.50 -1.15 -0.12 0.00 -0.91 0.00 0.00 33.84 32.15 2gk3 n VAL 198 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2gk3 s LEU 199 N -6.05 2.36 0.32 7.52 1.43 -1.16 -1.49 118.68 121.61 2gk3 s LEU 199 Ca -0.20 -0.77 0.06 0.00 -1.03 0.00 0.00 54.13 52.19 2gk3 s LEU 199 Cb 0.06 -0.96 -0.06 0.00 0.03 0.00 0.00 46.19 45.25 2gk3 s LEU 199 CO 0.32 0.06 -0.01 0.42 0.23 0.00 0.00 176.35 177.37 2gk3 s THR 200 N -1.46 1.56 -0.16 5.49 -4.23 0.62 -0.58 115.64 116.88 2gk3 s THR 200 Ca 0.12 -2.07 -0.05 0.00 -1.18 0.00 0.00 61.69 58.52 2gk3 s THR 200 Cb -0.09 -2.65 0.08 0.00 1.34 0.00 0.00 72.50 71.18 2gk3 s THR 200 CO 0.06 -0.15 0.29 -0.51 -0.54 0.00 0.00 174.62 173.76 2gk3 s ILE 201 N -3.05 -0.45 -1.73 2.99 2.07 0.18 -1.52 121.20 119.68 2gk3 s ILE 201 Ca 0.33 0.18 -0.19 0.00 -1.41 0.00 0.00 60.65 59.56 2gk3 s ILE 201 Cb 0.06 -0.54 0.17 0.00 0.13 0.00 0.00 42.46 42.28 2gk3 s ILE 201 CO 0.14 0.05 0.78 -3.20 -1.91 0.00 0.00 174.94 170.80 2gk3 n ASN 202 N 5.35 -3.23 0.00 4.50 5.15 -1.26 0.62 115.26 126.40 2gk3 n ASN 202 Ca -0.06 -1.03 0.00 0.00 -0.60 0.00 0.00 54.58 52.89 2gk3 n ASN 202 Cb 0.50 -2.66 0.00 0.00 -0.53 0.00 0.00 39.78 37.09 2gk3 n ASN 202 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2gk3 n ASN 203 N -2.63 -4.19 -4.90 1.20 5.03 -1.26 -5.03 115.26 103.48 2gk3 n ASN 203 Ca 0.08 0.00 -0.23 0.00 0.87 0.00 0.00 54.58 55.31 2gk3 n ASN 203 Cb 0.48 -2.11 -0.03 0.00 -1.02 0.00 0.00 39.78 37.10 2gk3 n ASN 203 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2gk3 s ASP 204 N -2.05 6.00 0.35 6.41 1.01 0.20 -5.07 116.67 123.52 2gk3 s ASP 204 Ca 0.00 -0.04 -0.28 0.00 0.71 0.00 0.00 52.55 52.94 2gk3 s ASP 204 Cb 0.00 -1.68 -0.11 0.00 1.01 0.00 0.00 42.92 42.14 2gk3 s ASP 204 CO 0.00 -0.03 1.39 -2.16 0.21 0.00 0.00 175.17 174.58 2gk3 s PRO 205 N -3.74 4.25 -0.09 8.23 0.04 -1.26 0.47 135.00 142.89 2gk3 s PRO 205 Ca 0.33 2.37 -0.02 0.00 0.04 0.00 0.00 61.00 63.73 2gk3 s PRO 205 Cb -0.09 -3.03 -0.05 0.00 0.04 0.00 0.00 34.50 31.37 2gk3 s PRO 205 CO 0.27 -0.35 -0.10 -0.11 0.04 0.00 0.00 177.00 176.76 2gk3 n LEU 206 N 0.72 1.88 -4.00 -3.56 7.94 0.25 -4.60 117.00 115.63 2gk3 n LEU 206 Ca 0.01 0.03 -0.23 0.00 -1.11 0.00 0.00 56.01 54.71 2gk3 n LEU 206 Cb 0.41 -0.29 -0.16 0.00 0.53 0.00 0.00 43.42 43.91 2gk3 n LEU 206 CO 0.61 0.43 -0.45 -0.22 -1.11 0.00 0.00 177.39 176.65 2gk3 s LEU 207 N -5.98 1.62 -0.07 -1.96 2.96 -0.84 -4.11 118.68 110.31 2gk3 s LEU 207 Ca -0.12 -0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 53.51 2gk3 s LEU 207 Cb 0.04 -0.71 0.04 0.00 0.50 0.00 0.00 46.19 46.06 2gk3 s LEU 207 CO 0.18 0.03 0.17 -0.69 -1.32 0.00 0.00 176.35 174.72 2gk3 s VAL 208 N 0.59 -0.05 0.07 1.68 1.01 -0.61 -0.90 120.40 122.19 2gk3 s VAL 208 Ca -0.12 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.10 2gk3 s VAL 208 Cb -0.14 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 2gk3 s VAL 208 CO 0.02 0.07 -0.12 -0.36 0.00 0.00 0.00 175.10 174.71 2gk3 s PHE 209 N 1.19 2.71 0.00 5.22 0.08 -0.17 -1.18 117.98 125.83 2gk3 s PHE 209 Ca -0.09 -0.17 0.00 0.00 0.12 0.00 0.00 56.93 56.79 2gk3 s PHE 209 Cb -0.11 -1.47 0.00 0.00 -0.57 0.00 0.00 43.02 40.87 2gk3 s PHE 209 CO -0.06 0.37 0.00 0.41 -0.10 0.00 0.00 175.22 175.84 2gk3 n GLY 210 N 1.08 3.67 3.05 4.36 0.00 -0.54 -1.59 105.19 115.23 2gk3 n GLY 210 Ca -0.15 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.68 2gk3 n GLY 210 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gk3 s GLU 211 N 0.27 0.44 -0.30 1.61 2.02 -1.26 -1.17 118.70 120.29 2gk3 s GLU 211 Ca 0.00 -0.63 -0.03 0.00 0.02 0.00 0.00 54.97 54.33 2gk3 s GLU 211 Cb 0.00 0.17 0.11 0.00 0.10 0.00 0.00 34.13 34.51 2gk3 s GLU 211 CO 0.00 -0.09 0.15 -0.47 0.02 0.00 0.00 175.26 174.87 2gk3 s TYR 212 N -1.85 0.38 0.00 1.61 5.04 -0.11 -4.89 117.35 117.53 2gk3 s TYR 212 Ca -0.12 -1.03 0.00 0.00 -2.44 0.00 0.00 57.07 53.48 2gk3 s TYR 212 Cb -0.06 -0.89 0.00 0.00 0.35 0.00 0.00 41.96 41.36 2gk3 s TYR 212 CO -0.02 -0.83 0.00 1.04 -1.34 0.00 0.00 175.55 174.40 2gk3 n GLN 213 N 4.97 0.00 0.14 4.97 6.02 -1.26 -2.53 117.38 129.68 2gk3 n GLN 213 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2gk3 n GLN 213 Cb 0.41 0.00 0.29 0.00 1.02 0.00 0.00 30.24 31.96 2gk3 n GLN 213 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 2gk3 h GLN 214 N 0.00 0.13 -6.77 -1.09 1.08 -1.68 -3.46 115.11 103.32 2gk3 h GLN 214 Ca 0.00 -0.05 -0.49 0.00 -1.45 0.00 0.00 58.65 56.66 2gk3 h GLN 214 Cb 0.00 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 2gk3 h GLN 214 CO 0.00 0.49 0.21 0.20 -0.95 0.00 0.00 178.83 178.79 2gk3 s GLY 215 N -4.25 2.59 0.24 3.46 0.00 0.46 -4.55 107.32 105.26 2gk3 s GLY 215 Ca -0.04 0.29 -0.13 0.00 0.00 0.00 0.00 44.72 44.84 2gk3 s GLY 215 CO 0.75 0.63 0.62 0.54 0.00 0.00 0.00 173.10 175.65 2gk3 s LYS 216 N -2.37 3.95 0.11 2.90 -0.14 -1.25 -0.94 119.74 122.00 2gk3 s LYS 216 Ca 0.50 0.50 0.05 0.00 -1.36 0.00 0.00 55.97 55.66 2gk3 s LYS 216 Cb -0.15 -2.66 -0.04 0.00 -1.68 0.00 0.00 37.83 33.30 2gk3 s LYS 216 CO 0.20 0.31 -0.12 0.95 -0.76 0.00 0.00 175.35 175.93 2gk3 s THR 217 N -1.76 1.12 -0.07 2.17 -4.23 -0.32 -1.68 115.64 110.87 2gk3 s THR 217 Ca 0.47 -1.66 -0.13 0.00 -1.18 0.00 0.00 61.69 59.18 2gk3 s THR 217 Cb -0.12 -1.43 0.03 0.00 1.34 0.00 0.00 72.50 72.32 2gk3 s THR 217 CO 0.20 -0.48 0.33 0.00 -0.54 0.00 0.00 174.62 174.12 2gk3 s ALA 218 N -2.27 -0.82 -0.10 3.99 0.00 0.78 -1.47 121.76 121.88 2gk3 s ALA 218 Ca 0.07 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.69 2gk3 s ALA 218 Cb -0.04 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.84 2gk3 s ALA 218 CO 0.01 -0.21 -0.08 0.00 0.00 0.00 0.00 175.76 175.49 2gk3 n PHE 220 N 4.67 -2.03 0.00 0.00 7.35 -1.26 -1.58 117.46 124.61 2gk3 n PHE 220 Ca -0.15 -1.22 0.00 0.00 -0.76 0.00 0.00 57.45 55.32 2gk3 n PHE 220 Cb 0.50 -0.29 0.00 0.00 0.35 0.00 0.00 39.48 40.05 2gk3 n PHE 220 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2gk3 n SER 222 N -2.37 0.00 -4.85 -2.13 2.88 -1.26 -0.89 113.62 105.00 2gk3 n SER 222 Ca 0.05 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.33 2gk3 n SER 222 Cb 0.34 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.75 2gk3 n SER 222 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2gk3 s ASP 223 N 0.00 5.80 0.00 -3.46 -1.08 -1.26 -0.78 116.67 115.90 2gk3 s ASP 223 Ca 0.00 -0.03 0.27 0.00 -0.52 0.00 0.00 52.55 52.28 2gk3 s ASP 223 Cb 0.00 -1.60 0.96 0.00 -1.46 0.00 0.00 42.92 40.82 2gk3 s ASP 223 CO 0.00 0.06 1.70 0.00 0.52 0.00 0.00 175.17 177.45 2gk3 s SER 225 N -2.63 1.23 0.68 0.00 0.01 -1.26 -4.86 113.70 106.87 2gk3 s SER 225 Ca 0.23 -1.25 -0.17 0.00 1.31 0.00 0.00 55.95 56.07 2gk3 s SER 225 Cb 0.19 0.13 -0.00 0.00 0.21 0.00 0.00 66.02 66.55 2gk3 s SER 225 CO 0.54 -0.62 1.12 -2.65 0.41 0.00 0.00 173.24 172.03 2gk3 n PRO 226 N -0.33 0.76 0.03 12.44 -0.02 -1.14 -0.67 135.00 146.07 2gk3 n PRO 226 Ca -0.04 0.32 0.11 0.00 -2.02 0.00 0.00 63.50 61.87 2gk3 n PRO 226 Cb 0.64 -2.35 0.04 0.00 -0.02 0.00 0.00 33.50 31.81 2gk3 n PRO 226 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2gk3 n HIS 227 N -2.25 0.31 -0.04 6.00 1.44 -1.26 -4.78 115.22 114.64 2gk3 n HIS 227 Ca 0.14 0.09 -0.11 0.00 -2.01 0.00 0.00 57.72 55.83 2gk3 n HIS 227 Cb 0.49 -0.47 -0.06 0.00 0.12 0.00 0.00 29.99 30.07 2gk3 n HIS 227 CO 0.00 0.00 0.00 -1.49 -2.81 0.00 0.00 176.34 172.04 2gk3 h TRP 228 N 0.00 0.25 -2.67 -1.40 6.55 -1.90 -3.37 115.95 113.41 2gk3 h TRP 228 Ca 0.00 -0.03 -0.55 0.00 0.95 0.00 0.00 58.89 59.26 2gk3 h TRP 228 Cb 0.74 -0.07 -0.05 0.00 -0.86 0.00 0.00 29.16 28.92 2gk3 h TRP 228 CO 0.00 0.40 1.19 0.20 -1.05 0.00 0.00 178.44 179.17 2gk3 s GLY 229 N -2.84 0.75 0.85 1.49 0.00 0.15 -1.49 107.32 106.22 2gk3 s GLY 229 Ca -0.14 -0.40 -0.12 0.00 0.00 0.00 0.00 44.72 44.06 2gk3 s GLY 229 CO 0.71 3.03 1.13 -0.51 0.00 0.00 0.00 173.10 177.45 2gk3 s THR 230 N 6.80 2.45 0.24 0.90 -4.23 -1.26 -2.90 115.64 117.63 2gk3 s THR 230 Ca 0.62 0.15 -0.07 0.00 -1.18 0.00 0.00 61.69 61.21 2gk3 s THR 230 Cb -0.14 -2.93 0.22 0.00 1.34 0.00 0.00 72.50 70.99 2gk3 s THR 230 CO 0.27 -0.19 1.90 1.56 -0.54 0.00 0.00 174.62 177.62 2gk3 h GLN 231 N -1.26 1.17 -0.69 3.99 1.08 -1.92 -1.86 115.11 115.62 2gk3 h GLN 231 Ca -0.49 -0.07 0.10 0.00 -1.45 0.00 0.00 58.65 56.75 2gk3 h GLN 231 Cb 1.31 -0.26 -0.08 0.00 -0.05 0.00 0.00 27.48 28.40 2gk3 h GLN 231 CO 0.62 0.78 0.31 0.37 -0.95 0.00 0.00 178.83 179.95 2gk3 h GLN 232 N 1.21 0.50 -1.62 1.46 4.15 -1.92 -1.67 115.11 117.21 2gk3 h GLN 232 Ca 0.34 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.73 2gk3 h GLN 232 Cb -0.10 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.47 2gk3 h GLN 232 CO -0.08 0.33 0.00 0.34 -1.93 0.00 0.00 178.83 177.49 2gk3 n PHE 233 N -4.93 0.00 0.00 3.99 7.35 -0.70 -1.68 117.46 121.49 2gk3 n PHE 233 Ca 0.11 -0.11 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2gk3 n PHE 233 Cb 0.30 -0.13 0.00 0.00 0.35 0.00 0.00 39.48 40.00 2gk3 n PHE 233 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 2gk3 n SER 235 N 0.84 0.00 -4.71 -2.13 3.41 -0.63 -4.77 113.62 105.63 2gk3 n SER 235 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 2gk3 n SER 235 Cb 0.11 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 2gk3 n SER 235 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 2gk3 s TRP 236 N 0.00 2.80 0.61 7.33 -0.00 -0.68 -4.97 118.94 124.04 2gk3 s TRP 236 Ca 0.00 0.47 -0.19 0.00 -0.00 0.00 0.00 56.10 56.38 2gk3 s TRP 236 Cb 0.00 -3.97 -0.04 0.00 -0.00 0.00 0.00 33.47 29.46 2gk3 s TRP 236 CO 0.00 -3.73 1.08 -0.35 -0.00 0.00 0.00 176.95 173.95 2gk3 n PRO 237 N 4.55 1.02 0.00 5.86 -0.04 -1.26 -1.41 135.00 143.72 2gk3 n PRO 237 Ca 0.15 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 2gk3 n PRO 237 Cb 0.39 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 2gk3 n PRO 237 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2gk3 n PHE 238 N -1.71 0.00 -0.01 0.54 3.72 -1.26 -4.89 117.46 113.85 2gk3 n PHE 238 Ca 0.14 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.45 2gk3 n PHE 238 Cb 0.47 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.98 2gk3 n PHE 238 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 2gk3 h TYR 239 N 0.00 -0.34 -0.38 1.38 3.20 -1.54 0.69 116.97 119.98 2gk3 h TYR 239 Ca 0.00 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 2gk3 h TYR 239 Cb 0.00 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 2gk3 h TYR 239 CO 0.00 -0.20 -0.12 1.15 -1.64 0.00 0.00 178.16 177.35 2gk3 h THR 240 N -0.15 1.25 -0.39 1.81 2.02 -1.90 -3.03 112.91 112.51 2gk3 h THR 240 Ca 0.10 -1.12 -0.03 0.00 0.77 0.00 0.00 66.41 66.12 2gk3 h THR 240 Cb 0.30 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 2gk3 h THR 240 CO -0.25 0.38 0.11 0.44 0.37 0.00 0.00 175.52 176.57 2gk3 h ASP 241 N 0.61 0.58 -0.21 4.18 3.32 -1.69 0.11 116.42 123.30 2gk3 h ASP 241 Ca 0.11 -0.22 0.05 0.00 0.02 0.00 0.00 57.03 56.99 2gk3 h ASP 241 Cb 0.56 -0.15 -0.07 0.00 0.22 0.00 0.00 39.33 39.88 2gk3 h ASP 241 CO 0.03 0.64 -0.43 0.25 -1.72 0.00 0.00 179.24 178.02 2gk3 h LEU 242 N 0.48 -1.36 -0.28 1.55 5.85 0.44 0.60 115.31 122.59 2gk3 h LEU 242 Ca 0.12 0.19 -0.02 0.00 0.84 0.00 0.00 57.88 59.01 2gk3 h LEU 242 Cb 0.28 0.57 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 2gk3 h LEU 242 CO -0.00 -0.41 0.08 -0.50 -0.34 0.00 0.00 178.44 177.27 2gk3 h TRP 243 N -0.44 0.46 0.04 1.25 4.06 -1.41 -0.43 115.95 119.48 2gk3 h TRP 243 Ca 0.09 -0.05 0.00 0.00 2.06 0.00 0.00 58.89 60.99 2gk3 h TRP 243 Cb 0.61 -0.13 -0.00 0.00 -1.00 0.00 0.00 29.16 28.64 2gk3 h TRP 243 CO -0.53 0.49 -0.03 0.28 -3.56 0.00 0.00 178.44 175.09 2gk3 h VAL 244 N 0.30 0.93 0.61 1.49 2.07 -0.51 -1.70 116.25 119.44 2gk3 h VAL 244 Ca 0.09 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 2gk3 h VAL 244 Cb 0.25 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2gk3 h VAL 244 CO -0.00 0.00 -0.47 0.78 0.02 0.00 0.00 177.57 177.90 2gk3 h ASN 245 N -0.08 -1.24 -0.91 0.57 2.35 0.35 -0.50 115.58 116.11 2gk3 h ASN 245 Ca -0.00 0.09 0.11 0.00 -0.55 0.00 0.00 56.30 55.95 2gk3 h ASN 245 Cb 0.07 0.39 -0.07 0.00 0.05 0.00 0.00 38.32 38.76 2gk3 h ASN 245 CO -0.00 -0.68 0.59 0.00 -1.65 0.00 0.00 177.43 175.69 2gk3 h THR 246 N -1.05 0.92 -0.26 2.81 1.03 -1.09 0.27 112.91 115.55 2gk3 h THR 246 Ca -0.08 -0.29 -0.01 0.00 -0.01 0.00 0.00 66.41 66.02 2gk3 h THR 246 Cb 0.88 -0.01 -0.01 0.00 -1.07 0.00 0.00 68.15 67.94 2gk3 h THR 246 CO 0.02 0.16 0.13 -0.07 -0.01 0.00 0.00 175.52 175.75 2gk3 h LEU 247 N 0.86 0.32 -0.20 0.00 3.38 -1.03 -1.61 115.31 117.03 2gk3 h LEU 247 Ca 0.44 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.32 2gk3 h LEU 247 Cb 0.50 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2gk3 h LEU 247 CO -0.20 0.33 0.09 -0.61 0.09 0.00 0.00 178.44 178.14 2gk3 h GLN 248 N 0.29 0.20 -0.79 1.13 5.75 0.10 -1.94 115.11 119.85 2gk3 h GLN 248 Ca 0.09 -0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.65 2gk3 h GLN 248 Cb 0.08 -0.04 -0.07 0.00 1.07 0.00 0.00 27.48 28.52 2gk3 h GLN 248 CO -0.01 0.13 0.46 0.35 -2.65 0.00 0.00 178.83 177.11 2gk3 h PHE 249 N 0.20 0.84 -0.01 3.99 3.57 -0.38 -2.83 116.94 122.32 2gk3 h PHE 249 Ca 0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2gk3 h PHE 249 Cb 0.03 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.50 2gk3 h PHE 249 CO -0.10 0.38 -0.30 0.44 -2.23 0.00 0.00 178.31 176.50 2gk3 n ILE 250 N -4.72 0.00 -2.08 1.41 -5.35 -0.62 -4.97 119.36 103.03 2gk3 n ILE 250 Ca 0.12 -0.16 -0.39 0.00 -0.27 0.00 0.00 62.75 62.05 2gk3 n ILE 250 Cb 0.22 0.60 -0.00 0.00 -1.74 0.00 0.00 39.64 38.72 2gk3 n ILE 250 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2gk3 s ALA 251 N -2.49 3.17 0.18 -1.28 0.00 -0.75 -3.47 121.76 117.13 2gk3 s ALA 251 Ca 0.23 1.18 -0.32 0.00 0.00 0.00 0.00 51.96 53.05 2gk3 s ALA 251 Cb 0.19 -3.47 -0.12 0.00 0.00 0.00 0.00 23.12 19.72 2gk3 s ALA 251 CO 0.53 -0.83 1.73 -2.13 0.00 0.00 0.00 175.76 175.06 2gk3 n ARG 252 N -0.07 2.69 0.00 0.00 0.63 -0.80 -4.85 116.66 114.26 2gk3 n ARG 252 Ca 0.05 0.97 0.12 0.00 -0.92 0.00 0.00 57.85 58.07 2gk3 n ARG 252 Cb 0.45 -2.82 0.12 0.00 0.45 0.00 0.00 32.46 30.66 2gk3 n ARG 252 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75