#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 3.14 -0.04 1.96 2.47 -1.26 -0.03 119.74 125.97 2gk3 s LYS 9 Ca 0.00 -0.82 0.02 0.00 -1.56 0.00 0.00 55.97 53.62 2gk3 s LYS 9 Cb 0.00 -3.29 0.01 0.00 -1.46 0.00 0.00 37.83 33.09 2gk3 s LYS 9 CO 0.00 -0.39 -0.10 0.08 0.16 0.00 0.00 175.35 175.10 2gk3 s VAL 10 N 1.49 0.87 -0.26 4.02 1.01 0.12 0.55 120.40 128.20 2gk3 s VAL 10 Ca 0.03 -0.37 -0.14 0.00 0.00 0.00 0.00 61.98 61.50 2gk3 s VAL 10 Cb -0.17 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 2gk3 s VAL 10 CO 0.01 0.28 0.32 -0.22 0.00 0.00 0.00 175.10 175.49 2gk3 s LEU 11 N 0.39 4.06 -0.34 3.92 0.20 -0.66 -0.91 118.68 125.35 2gk3 s LEU 11 Ca -0.07 0.25 -0.07 0.00 0.69 0.00 0.00 54.13 54.93 2gk3 s LEU 11 Cb -0.11 -2.35 0.04 0.00 -0.43 0.00 0.00 46.19 43.34 2gk3 s LEU 11 CO 0.01 -0.12 0.11 0.12 -0.29 0.00 0.00 176.35 176.19 2gk3 s PHE 12 N 1.80 3.25 -0.20 5.38 5.36 -0.02 -0.00 117.98 133.54 2gk3 s PHE 12 Ca 0.13 -1.36 -0.06 0.00 -0.96 0.00 0.00 56.93 54.68 2gk3 s PHE 12 Cb -0.15 -2.29 -0.03 0.00 -0.34 0.00 0.00 43.02 40.20 2gk3 s PHE 12 CO 0.09 -0.71 0.03 0.42 -1.46 0.00 0.00 175.22 173.59 2gk3 s ILE 13 N 1.42 4.25 0.00 3.12 1.01 0.70 -4.45 121.20 127.26 2gk3 s ILE 13 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.43 2gk3 s ILE 13 Cb -0.19 -2.93 0.00 0.00 0.01 0.00 0.00 42.46 39.34 2gk3 s ILE 13 CO 0.03 0.42 0.00 0.61 0.00 0.00 0.00 174.94 176.00 2gk3 n GLY 14 N 4.17 0.26 3.17 6.18 0.00 -1.26 -1.25 105.19 116.46 2gk3 n GLY 14 Ca -0.17 -1.89 -0.23 0.00 0.00 0.00 0.00 46.02 43.73 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 -5.27 -3.86 1.61 -0.58 -0.73 -4.23 120.64 107.58 2gk3 n GLU 15 Ca 0.00 0.85 -0.11 0.00 -0.42 0.00 0.00 57.16 57.48 2gk3 n GLU 15 Cb 0.00 -5.73 -0.10 0.00 -0.57 0.00 0.00 31.44 25.03 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 -2.82 -0.02 0.04 1.62 1.04 -1.26 0.63 113.70 112.93 2gk3 s SER 16 Ca 0.37 -0.09 -0.15 0.00 0.48 0.00 0.00 55.95 56.56 2gk3 s SER 16 Cb -0.17 0.24 0.02 0.00 0.10 0.00 0.00 66.02 66.21 2gk3 s SER 16 CO 0.46 -0.31 0.32 -1.66 0.98 0.00 0.00 173.24 173.03 2gk3 s TRP 17 N -1.08 -0.14 -0.18 5.02 -2.14 -0.58 -4.63 118.94 115.21 2gk3 s TRP 17 Ca -0.12 0.04 -0.04 0.00 2.66 0.00 0.00 56.10 58.64 2gk3 s TRP 17 Cb -0.06 0.12 -0.02 0.00 -3.10 0.00 0.00 33.47 30.40 2gk3 s TRP 17 CO 0.01 -0.51 -0.03 -1.01 -2.66 0.00 0.00 176.95 172.75 2gk3 s HIS 18 N -2.43 3.00 -0.17 1.66 3.76 -1.26 -1.53 115.29 118.32 2gk3 s HIS 18 Ca -0.06 -0.47 -0.05 0.00 -0.15 0.00 0.00 55.06 54.33 2gk3 s HIS 18 Cb -0.01 -2.01 -0.03 0.00 1.11 0.00 0.00 32.58 31.64 2gk3 s HIS 18 CO -0.02 -0.19 0.01 0.42 -0.85 0.00 0.00 174.74 174.11 2gk3 s ILE 19 N 0.73 4.31 0.51 0.60 1.01 0.15 -4.95 121.20 123.55 2gk3 s ILE 19 Ca -0.02 -0.21 0.07 0.00 0.00 0.00 0.00 60.65 60.50 2gk3 s ILE 19 Cb -0.14 -2.92 0.03 0.00 0.01 0.00 0.00 42.46 39.44 2gk3 s ILE 19 CO 0.02 0.48 0.50 -2.28 0.00 0.00 0.00 174.94 173.65 2gk3 s HIS 20 N 0.39 1.89 -0.30 3.97 5.65 -1.26 -0.49 115.29 125.13 2gk3 s HIS 20 Ca -0.01 -0.71 -0.09 0.00 0.25 0.00 0.00 55.06 54.50 2gk3 s HIS 20 Cb -0.13 -2.07 0.18 0.00 -1.18 0.00 0.00 32.58 29.38 2gk3 s HIS 20 CO 0.02 -0.55 0.92 0.42 -0.65 0.00 0.00 174.74 174.90 2gk3 s ILE 22 N -2.66 -0.51 -0.54 0.89 1.01 -1.26 -5.02 121.20 113.10 2gk3 s ILE 22 Ca 0.45 0.00 -0.17 0.00 0.00 0.00 0.00 60.65 60.93 2gk3 s ILE 22 Cb -0.03 -0.97 0.11 0.00 0.01 0.00 0.00 42.46 41.57 2gk3 s ILE 22 CO 0.28 0.00 0.56 -1.00 0.00 0.00 0.00 174.94 174.77 2gk3 s HIS 23 N 2.93 3.16 -0.37 3.97 3.76 0.31 -4.97 115.29 124.07 2gk3 s HIS 23 Ca 0.06 -1.09 -0.19 0.00 -0.15 0.00 0.00 55.06 53.69 2gk3 s HIS 23 Cb -0.11 -3.76 0.00 0.00 1.11 0.00 0.00 32.58 29.82 2gk3 s HIS 23 CO -0.14 -1.07 0.57 -1.12 -0.85 0.00 0.00 174.74 172.12 2gk3 s SER 24 N 3.41 6.35 -0.64 1.40 0.01 -1.26 -1.48 113.70 121.49 2gk3 s SER 24 Ca 0.06 -0.03 -0.10 0.00 1.31 0.00 0.00 55.95 57.20 2gk3 s SER 24 Cb -0.27 -2.29 0.17 0.00 0.21 0.00 0.00 66.02 63.84 2gk3 s SER 24 CO 0.05 -0.56 0.53 -0.54 0.41 0.00 0.00 173.24 173.13 2gk3 s LYS 25 N 2.54 2.92 7.63 12.44 1.02 0.11 -4.98 119.74 141.43 2gk3 s LYS 25 Ca 0.21 -2.22 0.00 0.00 0.02 0.00 0.00 55.97 53.98 2gk3 s LYS 25 Cb -0.15 -4.07 0.00 0.00 -0.52 0.00 0.00 37.83 33.09 2gk3 s LYS 25 CO 0.14 -1.23 0.00 0.41 -0.92 0.00 0.00 175.35 173.75 2gk3 n GLY 26 N 4.21 3.01 0.33 -3.33 0.00 -1.26 -2.86 105.19 105.29 2gk3 n GLY 26 Ca 0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 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 1.06 -3.43 1.61 3.20 -2.02 -3.45 116.97 113.93 2gk3 h TYR 27 Ca 0.00 0.03 -0.50 0.00 3.14 0.00 0.00 58.73 61.40 2gk3 h TYR 27 Cb 0.00 -0.35 0.01 0.00 1.54 0.00 0.00 36.73 37.93 2gk3 h TYR 27 CO 0.00 0.62 0.01 -0.51 -1.64 0.00 0.00 178.16 176.65 2gk3 s ASP 28 N -5.91 6.40 0.00 -2.11 1.11 -1.13 -5.11 116.67 109.92 2gk3 s ASP 28 Ca -0.13 0.89 -0.01 0.00 0.18 0.00 0.00 52.55 53.48 2gk3 s ASP 28 Cb 0.17 -2.22 -0.01 0.00 1.07 0.00 0.00 42.92 41.93 2gk3 s ASP 28 CO 0.79 -0.39 0.01 -0.94 1.18 0.00 0.00 175.17 175.83 2gk3 s SER 29 N -3.53 0.09 0.22 0.27 1.04 -1.26 -0.71 113.70 109.82 2gk3 s SER 29 Ca 0.47 -0.20 0.10 0.00 0.48 0.00 0.00 55.95 56.80 2gk3 s SER 29 Cb -0.10 0.08 -0.05 0.00 0.10 0.00 0.00 66.02 66.05 2gk3 s SER 29 CO 0.35 -0.15 -0.20 0.72 0.98 0.00 0.00 173.24 174.94 2gk3 s PHE 30 N -0.70 2.11 0.11 5.02 -0.12 -0.55 -4.95 117.98 118.91 2gk3 s PHE 30 Ca -0.08 -0.40 0.10 0.00 -0.05 0.00 0.00 56.93 56.50 2gk3 s PHE 30 Cb -0.05 -0.98 -0.04 0.00 -0.63 0.00 0.00 43.02 41.32 2gk3 s PHE 30 CO -0.00 0.53 -0.25 0.95 -0.05 0.00 0.00 175.22 176.39 2gk3 s THR 31 N -2.28 2.11 -0.01 -4.49 -4.23 -1.26 -0.53 115.64 104.95 2gk3 s THR 31 Ca 0.24 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 2gk3 s THR 31 Cb -0.05 -1.87 0.00 0.00 1.34 0.00 0.00 72.50 71.93 2gk3 s THR 31 CO 0.11 0.09 -0.01 -0.94 -0.54 0.00 0.00 174.62 173.33 2gk3 s SER 32 N -1.90 0.16 0.12 3.99 1.04 -1.26 -5.01 113.70 110.84 2gk3 s SER 32 Ca 0.12 -0.02 0.09 0.00 0.48 0.00 0.00 55.95 56.62 2gk3 s SER 32 Cb -0.10 -0.04 -0.04 0.00 0.10 0.00 0.00 66.02 65.94 2gk3 s SER 32 CO 0.05 -0.01 -0.17 -0.44 0.98 0.00 0.00 173.24 173.65 2gk3 s SER 33 N 0.16 3.94 -0.17 7.02 0.01 -1.26 -4.62 113.70 118.79 2gk3 s SER 33 Ca -0.01 -0.56 -0.05 0.00 1.31 0.00 0.00 55.95 56.64 2gk3 s SER 33 Cb -0.03 -0.57 0.08 0.00 0.21 0.00 0.00 66.02 65.71 2gk3 s SER 33 CO -0.00 0.17 0.30 -0.75 0.41 0.00 0.00 173.24 173.37 2gk3 s LYS 34 N -2.22 0.21 -0.08 12.44 2.20 0.35 -4.98 119.74 127.67 2gk3 s LYS 34 Ca 0.19 0.71 -0.15 0.00 -0.36 0.00 0.00 55.97 56.36 2gk3 s LYS 34 Cb -0.10 -0.17 -0.05 0.00 -1.51 0.00 0.00 37.83 35.99 2gk3 s LYS 34 CO 0.11 -0.38 0.37 -0.47 -0.36 0.00 0.00 175.35 174.62 2gk3 s TYR 35 N 2.46 3.59 0.01 4.03 5.04 -1.26 0.31 117.35 131.53 2gk3 s TYR 35 Ca 0.03 0.82 0.02 0.00 -2.44 0.00 0.00 57.07 55.50 2gk3 s TYR 35 Cb -0.13 -2.34 -0.01 0.00 0.35 0.00 0.00 41.96 39.83 2gk3 s TYR 35 CO -0.11 0.42 -0.06 -1.21 -1.34 0.00 0.00 175.55 173.25 2gk3 s GLU 36 N -0.21 0.47 -0.12 4.97 2.02 -0.58 -5.01 118.70 120.24 2gk3 s GLU 36 Ca 0.21 -0.41 -0.05 0.00 0.02 0.00 0.00 54.97 54.75 2gk3 s GLU 36 Cb -0.15 -0.37 -0.04 0.00 0.10 0.00 0.00 34.13 33.68 2gk3 s GLU 36 CO 0.09 0.09 0.06 -1.21 0.02 0.00 0.00 175.26 174.31 2gk3 s GLU 37 N -0.69 3.38 0.00 1.61 2.02 -1.26 -1.53 118.70 122.22 2gk3 s GLU 37 Ca -0.03 -0.31 0.20 0.00 0.02 0.00 0.00 54.97 54.85 2gk3 s GLU 37 Cb -0.05 -3.02 -0.18 0.00 0.10 0.00 0.00 34.13 30.98 2gk3 s GLU 37 CO 0.00 0.62 0.86 0.41 0.02 0.00 0.00 175.26 177.17 2gk3 n GLY 38 N 2.45 -0.70 1.19 -1.39 0.00 0.20 -4.48 105.19 102.47 2gk3 n GLY 38 Ca -0.19 -0.56 -0.01 0.00 0.00 0.00 0.00 46.02 45.26 2gk3 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gk3 n ALA 39 N -1.22 3.68 -0.34 4.61 0.00 -1.26 -4.75 120.51 121.23 2gk3 n ALA 39 Ca 0.05 -3.22 0.09 0.00 0.00 0.00 0.00 53.44 50.35 2gk3 n ALA 39 Cb 0.33 -0.44 0.26 0.00 0.00 0.00 0.00 19.45 19.59 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 2.51 0.82 -0.04 0.00 2.02 -1.93 -1.31 112.91 114.98 2gk3 h THR 40 Ca 0.03 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 2gk3 h THR 40 Cb 1.28 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 2gk3 h THR 40 CO 0.19 0.15 -0.04 -0.25 0.37 0.00 0.00 175.52 175.95 2gk3 h TRP 41 N 0.85 0.12 -0.60 3.16 2.91 -1.96 -2.62 115.95 117.81 2gk3 h TRP 41 Ca 0.51 -0.04 0.08 0.00 1.13 0.00 0.00 58.89 60.57 2gk3 h TRP 41 Cb 0.64 -0.03 -0.06 0.00 -0.51 0.00 0.00 29.16 29.20 2gk3 h TRP 41 CO -0.02 0.55 0.26 1.25 -1.03 0.00 0.00 178.44 179.45 2gk3 h LEU 42 N -0.33 0.32 -0.56 0.65 6.46 -1.85 -1.41 115.31 118.58 2gk3 h LEU 42 Ca 0.01 0.06 -0.14 0.00 -0.12 0.00 0.00 57.88 57.69 2gk3 h LEU 42 Cb 0.52 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.46 2gk3 h LEU 42 CO 0.01 0.20 -0.36 -0.07 -0.62 0.00 0.00 178.44 177.60 2gk3 h LEU 43 N 0.48 0.80 0.25 2.25 3.38 -1.25 0.33 115.31 121.54 2gk3 h LEU 43 Ca 0.29 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2gk3 h LEU 43 Cb 0.30 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2gk3 h LEU 43 CO -0.26 1.08 -0.16 -0.08 0.09 0.00 0.00 178.44 179.11 2gk3 h GLU 44 N 0.63 -0.38 -0.58 1.13 4.81 -1.28 -1.42 114.58 117.49 2gk3 h GLU 44 Ca 0.06 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.43 2gk3 h GLU 44 Cb 0.90 0.09 -0.08 0.00 0.63 0.00 0.00 28.75 30.28 2gk3 h GLU 44 CO 0.08 -0.25 0.10 0.00 -0.73 0.00 0.00 179.01 178.21 2gk3 h LEU 46 N 0.23 0.86 -0.71 0.00 3.38 -0.85 0.86 115.31 119.07 2gk3 h LEU 46 Ca 0.30 -0.30 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 2gk3 h LEU 46 Cb 0.45 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2gk3 h LEU 46 CO -0.40 0.94 -0.58 0.03 0.09 0.00 0.00 178.44 178.52 2gk3 h ARG 47 N 0.75 0.20 0.00 1.13 3.08 -1.03 0.01 114.38 118.51 2gk3 h ARG 47 Ca 0.15 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 2gk3 h ARG 47 Cb 0.49 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 2gk3 h ARG 47 CO 0.02 0.72 -0.42 -0.22 -1.07 0.00 0.00 179.97 179.00 2gk3 h LYS 48 N 0.15 0.00 -0.10 0.04 3.64 -0.78 -1.25 116.57 118.28 2gk3 h LYS 48 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2gk3 h LYS 48 Cb 1.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2gk3 h LYS 48 CO 0.09 0.42 0.00 0.41 -2.27 0.00 0.00 179.45 178.10 2gk3 n GLY 49 N -0.24 -0.75 2.25 5.01 0.00 0.27 -4.88 105.19 106.85 2gk3 n GLY 49 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 0.44 0.83 3.73 -0.02 0.00 -0.47 -5.02 105.19 104.68 2gk3 n GLY 50 Ca 0.00 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.37 4.81 -0.55 1.61 1.01 -0.06 -4.57 120.40 120.27 2gk3 s VAL 51 Ca 0.00 1.64 -0.24 0.00 0.00 0.00 0.00 61.98 63.38 2gk3 s VAL 51 Cb 0.00 -4.12 0.04 0.00 0.00 0.00 0.00 36.38 32.30 2gk3 s VAL 51 CO 0.00 0.32 0.93 -0.62 0.00 0.00 0.00 175.10 175.73 2gk3 s ASP 52 N 0.24 6.33 -0.22 3.32 2.15 0.95 -4.04 116.67 125.40 2gk3 s ASP 52 Ca 0.40 -0.40 -0.08 0.00 0.43 0.00 0.00 52.55 52.90 2gk3 s ASP 52 Cb -0.20 -2.43 -0.04 0.00 -0.30 0.00 0.00 42.92 39.95 2gk3 s ASP 52 CO 0.22 -1.22 0.07 -0.63 -0.17 0.00 0.00 175.17 173.45 2gk3 s ILE 53 N 3.89 4.63 -0.33 4.11 -1.09 -1.26 0.14 121.20 131.29 2gk3 s ILE 53 Ca 0.29 -0.08 -0.12 0.00 -2.23 0.00 0.00 60.65 58.52 2gk3 s ILE 53 Cb -0.13 -3.13 -0.01 0.00 -1.58 0.00 0.00 42.46 37.61 2gk3 s ILE 53 CO 0.18 0.39 0.21 -1.81 -1.23 0.00 0.00 174.94 172.69 2gk3 s ASP 54 N 0.99 5.87 0.65 3.58 1.11 -0.09 -4.99 116.67 123.79 2gk3 s ASP 54 Ca 0.04 -0.47 -0.01 0.00 0.18 0.00 0.00 52.55 52.29 2gk3 s ASP 54 Cb -0.14 -2.09 0.09 0.00 1.07 0.00 0.00 42.92 41.86 2gk3 s ASP 54 CO 0.03 -0.22 0.63 0.00 1.18 0.00 0.00 175.17 176.78 2gk3 n TYR 55 N 5.06 -3.22 -3.94 4.23 9.36 -1.26 -0.84 117.16 126.55 2gk3 n TYR 55 Ca -0.13 -1.02 -0.09 0.00 3.32 0.00 0.00 57.90 59.98 2gk3 n TYR 55 Cb 0.49 -0.46 -0.09 0.00 -0.63 0.00 0.00 39.34 38.65 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 -4.12 0.68 0.17 2.98 0.02 -1.26 -4.96 135.00 128.52 2gk3 s PRO 57 Ca 0.41 -0.92 -0.14 0.00 0.02 0.00 0.00 61.00 60.36 2gk3 s PRO 57 Cb -0.02 0.27 0.13 0.00 0.02 0.00 0.00 34.50 34.89 2gk3 s PRO 57 CO 0.27 -0.18 1.73 0.00 -0.33 0.00 0.00 177.00 178.50 2gk3 h ALA 58 N 3.23 0.50 -0.02 -1.55 0.00 -1.82 -1.70 119.26 117.89 2gk3 h ALA 58 Ca -0.33 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.66 2gk3 h ALA 58 Cb 1.18 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2gk3 h ALA 58 CO 0.56 -0.28 0.02 1.12 0.00 0.00 0.00 179.25 180.66 2gk3 h HIS 59 N 0.26 0.00 -0.31 0.00 2.07 -1.97 -1.48 115.15 113.72 2gk3 h HIS 59 Ca 0.21 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.58 2gk3 h HIS 59 Cb 0.24 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.21 2gk3 h HIS 59 CO -0.18 0.00 -0.40 1.15 -3.07 0.00 0.00 177.93 175.42 2gk3 h THR 60 N 0.00 1.29 -0.72 6.12 2.02 -1.74 -2.65 112.91 117.22 2gk3 h THR 60 Ca 0.01 -1.58 0.07 0.00 0.77 0.00 0.00 66.41 65.68 2gk3 h THR 60 Cb 0.05 1.48 -0.06 0.00 -1.74 0.00 0.00 68.15 67.88 2gk3 h THR 60 CO -0.00 0.51 0.41 0.58 0.37 0.00 0.00 175.52 177.39 2gk3 h VAL 61 N 0.61 0.97 -0.58 3.16 2.07 -1.06 0.27 116.25 121.69 2gk3 h VAL 61 Ca 0.05 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.35 2gk3 h VAL 61 Cb 0.96 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2gk3 h VAL 61 CO 0.09 0.14 0.38 1.56 0.02 0.00 0.00 177.57 179.76 2gk3 h GLN 62 N 0.74 0.63 0.00 1.57 4.20 -1.15 -3.08 115.11 118.03 2gk3 h GLN 62 Ca 0.33 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.95 2gk3 h GLN 62 Cb 0.21 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 2gk3 h GLN 62 CO -0.19 0.42 -1.56 -0.89 -0.67 0.00 0.00 178.83 175.93 2gk3 n ILE 63 N -4.47 0.17 -2.01 2.54 5.41 -1.00 -1.33 119.36 118.67 2gk3 n ILE 63 Ca 0.07 -0.30 -0.01 0.00 1.00 0.00 0.00 62.75 63.51 2gk3 n ILE 63 Cb 0.16 0.01 -0.01 0.00 -0.71 0.00 0.00 39.64 39.09 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 -2.01 2.22 -1.72 -1.39 0.00 0.90 -5.01 120.51 113.51 2gk3 n ALA 64 Ca -0.06 -0.32 -0.43 0.00 0.00 0.00 0.00 53.44 52.64 2gk3 n ALA 64 Cb 0.43 -0.15 -0.02 0.00 0.00 0.00 0.00 19.45 19.71 2gk3 n ALA 64 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2gk3 n PHE 65 N 0.01 2.63 -1.67 0.00 7.35 -1.16 -4.85 117.46 119.77 2gk3 n PHE 65 Ca -0.03 0.26 -0.52 0.00 -0.76 0.00 0.00 57.45 56.40 2gk3 n PHE 65 Cb 0.58 -2.58 -0.06 0.00 0.35 0.00 0.00 39.48 37.77 2gk3 n PHE 65 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 2gk3 n PRO 66 N 2.56 1.60 0.16 -7.13 -0.02 -1.26 -4.89 135.00 126.01 2gk3 n PRO 66 Ca 0.11 0.58 0.05 0.00 -2.02 0.00 0.00 63.50 62.22 2gk3 n PRO 66 Cb 0.34 -2.31 0.09 0.00 -0.02 0.00 0.00 33.50 31.60 2gk3 n PRO 66 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2gk3 h GLU 67 N 6.96 0.00 -5.54 -0.52 4.81 -1.98 -3.46 114.58 114.86 2gk3 h GLU 67 Ca -0.47 0.00 -0.47 0.00 -0.13 0.00 0.00 59.36 58.29 2gk3 h GLU 67 Cb 1.30 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 30.44 2gk3 h GLU 67 CO 0.90 0.40 -0.80 0.45 -0.73 0.00 0.00 179.01 179.23 2gk3 s SER 68 N -6.40 1.88 0.59 1.04 0.15 -1.26 -4.77 113.70 104.93 2gk3 s SER 68 Ca 0.04 -0.54 0.36 0.00 0.70 0.00 0.00 55.95 56.51 2gk3 s SER 68 Cb 0.07 -0.11 1.83 0.00 -1.71 0.00 0.00 66.02 66.11 2gk3 s SER 68 CO 0.72 0.02 2.18 -0.29 1.20 0.00 0.00 173.24 177.07 2gk3 h ILE 69 N 4.36 0.20 -0.78 6.45 2.10 -1.94 -2.60 117.51 125.30 2gk3 h ILE 69 Ca -0.41 -0.29 0.07 0.00 1.08 0.00 0.00 64.86 65.31 2gk3 h ILE 69 Cb 1.18 1.24 -0.06 0.00 -1.09 0.00 0.00 36.82 38.08 2gk3 h ILE 69 CO 0.42 0.04 0.46 0.44 -1.08 0.00 0.00 178.15 178.42 2gk3 h ASP 70 N 0.00 0.68 0.15 2.19 3.32 -1.99 -1.51 116.42 119.26 2gk3 h ASP 70 Ca -0.00 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 2gk3 h ASP 70 Cb 0.23 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 2gk3 h ASP 70 CO 0.00 0.42 -0.33 -0.08 -1.72 0.00 0.00 179.24 177.53 2gk3 h GLU 71 N 0.81 0.27 0.00 3.56 4.81 -1.89 -2.79 114.58 119.35 2gk3 h GLU 71 Ca 0.36 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 59.36 2gk3 h GLU 71 Cb 0.24 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2gk3 h GLU 71 CO -0.20 0.58 -0.56 -0.07 -0.73 0.00 0.00 179.01 178.03 2gk3 h LEU 72 N 0.24 0.00 0.00 1.64 3.38 -1.41 -3.29 115.31 115.87 2gk3 h LEU 72 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2gk3 h LEU 72 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2gk3 h LEU 72 CO 0.05 0.56 0.00 0.59 0.09 0.00 0.00 178.44 179.73 2gk3 n ASN 73 N -3.53 0.00 0.00 -0.43 3.02 -0.86 -2.26 115.26 111.20 2gk3 n ASN 73 Ca -0.00 0.21 0.08 0.00 -0.03 0.00 0.00 54.58 54.84 2gk3 n ASN 73 Cb 0.64 -0.38 0.40 0.00 -0.61 0.00 0.00 39.78 39.83 2gk3 n ASN 73 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2gk3 n ARG 74 N -1.38 0.24 -4.36 3.52 1.85 -1.24 -4.76 116.66 110.53 2gk3 n ARG 74 Ca 0.08 0.13 -0.34 0.00 -1.00 0.00 0.00 57.85 56.72 2gk3 n ARG 74 Cb 0.20 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 30.02 2gk3 n ARG 74 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2gk3 s TYR 75 N -2.53 3.11 -0.01 2.89 2.02 -0.96 -4.84 117.35 117.04 2gk3 s TYR 75 Ca 0.15 0.14 0.11 0.00 -0.37 0.00 0.00 57.07 57.11 2gk3 s TYR 75 Cb 0.10 -1.74 -0.22 0.00 -0.40 0.00 0.00 41.96 39.71 2gk3 s TYR 75 CO 0.23 0.46 0.84 -0.44 -1.57 0.00 0.00 175.55 175.07 2gk3 h ASP 76 N 4.88 0.00 -3.97 2.29 3.32 -0.19 -3.45 116.42 119.29 2gk3 h ASP 76 Ca -0.50 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.34 2gk3 h ASP 76 Cb 1.18 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.47 2gk3 h ASP 76 CO 0.55 0.97 -0.66 -0.69 -1.72 0.00 0.00 179.24 177.69 2gk3 s VAL 77 N -2.65 0.02 -0.15 -1.35 1.01 -1.20 -1.40 120.40 114.68 2gk3 s VAL 77 Ca -0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 2gk3 s VAL 77 Cb 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.32 2gk3 s VAL 77 CO 0.82 -0.09 -0.03 -0.63 0.00 0.00 0.00 175.10 175.18 2gk3 s ILE 78 N -0.24 3.99 -0.15 2.22 1.01 0.11 -1.65 121.20 126.48 2gk3 s ILE 78 Ca -0.03 -0.33 -0.03 0.00 0.00 0.00 0.00 60.65 60.26 2gk3 s ILE 78 Cb -0.02 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 2gk3 s ILE 78 CO -0.00 0.50 -0.03 -0.69 0.00 0.00 0.00 174.94 174.72 2gk3 s VAL 79 N 0.24 3.94 -0.20 2.92 1.01 1.00 -1.12 120.40 128.19 2gk3 s VAL 79 Ca -0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 2gk3 s VAL 79 Cb -0.14 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.54 2gk3 s VAL 79 CO 0.03 0.50 -0.14 -0.63 0.00 0.00 0.00 175.10 174.86 2gk3 s ILE 80 N 0.23 2.59 -0.04 2.22 1.01 0.10 -0.21 121.20 127.10 2gk3 s ILE 80 Ca -0.02 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 59.85 2gk3 s ILE 80 Cb -0.14 -2.13 0.03 0.00 0.01 0.00 0.00 42.46 40.23 2gk3 s ILE 80 CO 0.03 0.49 0.06 -0.55 0.00 0.00 0.00 174.94 174.97 2gk3 s SER 81 N 1.37 0.58 -1.49 3.58 0.15 -0.38 -1.14 113.70 116.37 2gk3 s SER 81 Ca 0.05 0.11 -0.13 0.00 0.70 0.00 0.00 55.95 56.68 2gk3 s SER 81 Cb -0.14 -0.05 0.09 0.00 -1.71 0.00 0.00 66.02 64.22 2gk3 s SER 81 CO -0.09 -0.19 0.76 0.47 1.20 0.00 0.00 173.24 175.39 2gk3 n ASP 82 N 4.78 -4.30 -3.81 5.45 8.00 -1.26 -1.78 116.55 123.63 2gk3 n ASP 82 Ca -0.15 -0.66 -0.24 0.00 0.71 0.00 0.00 54.79 54.46 2gk3 n ASP 82 Cb 0.50 -3.49 -0.17 0.00 -0.02 0.00 0.00 41.12 37.94 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 -3.16 0.53 0.75 0.53 2.07 -1.03 -4.27 121.20 116.62 2gk3 s ILE 83 Ca 0.57 0.01 -0.11 0.00 -1.41 0.00 0.00 60.65 59.71 2gk3 s ILE 83 Cb -0.29 -0.65 0.04 0.00 0.13 0.00 0.00 42.46 41.69 2gk3 s ILE 83 CO 0.70 0.28 1.09 -0.83 -1.91 0.00 0.00 174.94 174.28 2gk3 s GLY 84 N 1.84 1.63 0.48 1.50 0.00 -1.05 -4.70 107.32 107.02 2gk3 s GLY 84 Ca 0.04 -0.24 0.15 0.00 0.00 0.00 0.00 44.72 44.67 2gk3 s GLY 84 CO -0.06 0.16 2.07 1.48 0.00 0.00 0.00 173.10 176.75 2gk3 h SER 85 N -0.89 0.02 -0.36 1.64 4.64 -1.60 -2.61 113.55 114.39 2gk3 h SER 85 Ca -0.46 -0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.89 2gk3 h SER 85 Cb 1.26 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 2gk3 h SER 85 CO 0.61 0.10 0.24 0.78 -0.87 0.00 0.00 176.83 177.69 2gk3 h ASN 86 N 0.02 0.31 -0.59 4.97 2.35 -1.86 -0.52 115.58 120.25 2gk3 h ASN 86 Ca 0.00 -0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 2gk3 h ASN 86 Cb 0.16 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 2gk3 h ASN 86 CO 0.01 0.21 0.05 0.74 -1.65 0.00 0.00 177.43 176.79 2gk3 h THR 87 N 0.36 1.26 -0.11 2.81 2.02 -1.78 0.17 112.91 117.64 2gk3 h THR 87 Ca 0.15 -1.08 -0.13 0.00 0.77 0.00 0.00 66.41 66.12 2gk3 h THR 87 Cb 0.14 0.74 0.01 0.00 -1.74 0.00 0.00 68.15 67.30 2gk3 h THR 87 CO -0.03 0.40 -0.44 -0.26 0.37 0.00 0.00 175.52 175.56 2gk3 h PHE 88 N 0.96 0.65 -0.11 3.16 -1.00 -1.49 -3.32 116.94 115.79 2gk3 h PHE 88 Ca 0.18 -0.27 -0.16 0.00 2.81 0.00 0.00 57.97 60.52 2gk3 h PHE 88 Cb 0.49 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.94 2gk3 h PHE 88 CO 0.03 1.04 -0.63 -0.07 -1.61 0.00 0.00 178.31 177.07 2gk3 h LEU 89 N 0.07 0.44 -5.23 1.54 3.38 -1.08 -3.39 115.31 111.05 2gk3 h LEU 89 Ca -0.02 -0.26 -0.61 0.00 0.09 0.00 0.00 57.88 57.08 2gk3 h LEU 89 Cb 1.07 -0.13 -0.41 0.00 0.09 0.00 0.00 40.66 41.28 2gk3 h LEU 89 CO 0.09 0.96 -0.53 0.18 0.09 0.00 0.00 178.44 179.23 2gk3 n LEU 90 N -3.89 4.74 -4.64 1.67 4.77 0.59 -4.97 117.00 115.28 2gk3 n LEU 90 Ca -0.03 -5.59 -0.30 0.00 -0.03 0.00 0.00 56.01 50.05 2gk3 n LEU 90 Cb 0.64 -0.59 0.19 0.00 -2.33 0.00 0.00 43.42 41.33 2gk3 n LEU 90 CO 0.46 2.32 0.65 -1.10 -1.33 0.00 0.00 177.39 178.39 2gk3 s GLN 91 N -3.55 0.61 0.26 3.23 -0.21 -1.25 -4.62 119.66 114.14 2gk3 s GLN 91 Ca 0.48 1.43 -0.01 0.00 0.02 0.00 0.00 55.36 57.28 2gk3 s GLN 91 Cb 0.29 -1.69 0.50 0.00 1.00 0.00 0.00 33.01 33.12 2gk3 s GLN 91 CO -0.15 -2.87 1.79 -0.91 -2.12 0.00 0.00 175.29 171.03 2gk3 h ASN 92 N -2.04 0.68 -0.20 5.90 4.21 -1.55 -0.44 115.58 122.15 2gk3 h ASN 92 Ca -0.47 0.07 -0.09 0.00 1.21 0.00 0.00 56.30 57.02 2gk3 h ASN 92 Cb 1.28 -0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 38.41 2gk3 h ASN 92 CO 0.43 0.34 -0.17 -0.33 -1.29 0.00 0.00 177.43 176.40 2gk3 h GLU 93 N 0.77 0.62 0.06 0.81 5.08 -1.92 0.11 114.58 120.11 2gk3 h GLU 93 Ca 0.45 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2gk3 h GLU 93 Cb 0.53 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2gk3 h GLU 93 CO -0.30 0.76 -0.03 1.15 -1.00 0.00 0.00 179.01 179.59 2gk3 h THR 94 N 0.56 1.21 0.00 1.13 2.02 -1.56 -1.46 112.91 114.81 2gk3 h THR 94 Ca 0.09 -0.96 -0.23 0.00 0.77 0.00 0.00 66.41 66.08 2gk3 h THR 94 Cb 0.61 1.83 -0.04 0.00 -1.74 0.00 0.00 68.15 68.82 2gk3 h THR 94 CO 0.04 0.24 -1.31 0.15 0.37 0.00 0.00 175.52 175.01 2gk3 h PHE 95 N -0.51 0.00 0.00 3.16 3.57 -0.95 -3.36 116.94 118.85 2gk3 h PHE 95 Ca -0.01 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.34 2gk3 h PHE 95 Cb 0.45 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 2gk3 h PHE 95 CO 0.07 0.92 -1.58 0.66 -2.23 0.00 0.00 178.31 176.15 2gk3 n TYR 96 N -3.16 0.00 1.21 0.41 4.01 0.38 -4.78 117.16 115.24 2gk3 n TYR 96 Ca -0.08 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.78 2gk3 n TYR 96 Cb 0.96 -0.40 0.37 0.00 -0.31 0.00 0.00 39.34 39.96 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 -2.58 1.91 -1.41 -0.72 6.02 -1.06 -4.95 117.38 114.59 2gk3 n GLN 97 Ca -0.16 -1.34 -0.14 0.00 -0.01 0.00 0.00 57.00 55.35 2gk3 n GLN 97 Cb 0.73 -1.46 -0.06 0.00 1.02 0.00 0.00 30.24 30.47 2gk3 n GLN 97 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2gk3 n LEU 98 N 0.60 -0.90 -4.85 1.08 4.77 -0.99 -4.97 117.00 111.74 2gk3 n LEU 98 Ca 0.17 0.35 -0.32 0.00 -0.03 0.00 0.00 56.01 56.18 2gk3 n LEU 98 Cb 0.43 -2.37 -0.05 0.00 -2.33 0.00 0.00 43.42 39.11 2gk3 n LEU 98 CO 0.15 -0.87 0.56 -0.54 -1.33 0.00 0.00 177.39 175.36 2gk3 s LYS 99 N -3.14 3.98 -0.17 3.23 -0.14 -0.59 -5.02 119.74 117.90 2gk3 s LYS 99 Ca 0.00 0.82 -0.14 0.00 -1.36 0.00 0.00 55.97 55.29 2gk3 s LYS 99 Cb 0.00 -2.27 -0.04 0.00 -1.68 0.00 0.00 37.83 33.84 2gk3 s LYS 99 CO 0.00 -0.07 0.31 0.42 -0.76 0.00 0.00 175.35 175.25 2gk3 s ILE 100 N -2.33 5.28 0.22 2.17 1.01 -1.26 -4.31 121.20 121.99 2gk3 s ILE 100 Ca 0.57 0.57 -0.07 0.00 0.00 0.00 0.00 60.65 61.72 2gk3 s ILE 100 Cb -0.10 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 2gk3 s ILE 100 CO 0.24 0.35 0.31 -1.59 0.00 0.00 0.00 174.94 174.25 2gk3 s LYS 101 N 0.70 1.37 0.46 2.79 -2.85 -1.26 -5.06 119.74 115.89 2gk3 s LYS 101 Ca 0.17 -1.43 -0.24 0.00 -1.00 0.00 0.00 55.97 53.47 2gk3 s LYS 101 Cb -0.13 0.37 -0.07 0.00 -2.06 0.00 0.00 37.83 35.94 2gk3 s LYS 101 CO 0.05 -0.52 1.27 -2.14 0.10 0.00 0.00 175.35 174.11 2gk3 s PRO 102 N -4.08 3.71 -0.46 1.78 0.02 -1.26 -4.93 135.00 129.78 2gk3 s PRO 102 Ca 0.30 2.05 -0.29 0.00 0.02 0.00 0.00 61.00 63.08 2gk3 s PRO 102 Cb 0.03 -2.53 0.02 0.00 0.02 0.00 0.00 34.50 32.05 2gk3 s PRO 102 CO 0.10 -0.67 1.25 1.21 -0.33 0.00 0.00 177.00 178.56 2gk3 s ASN 103 N -0.99 6.50 0.32 2.53 3.84 -1.26 -4.91 114.94 120.97 2gk3 s ASN 103 Ca 0.62 0.60 0.02 0.00 0.21 0.00 0.00 52.86 54.31 2gk3 s ASN 103 Cb -0.35 -2.55 0.57 0.00 -0.55 0.00 0.00 41.25 38.37 2gk3 s ASN 103 CO 0.44 -1.34 1.94 0.00 -2.79 0.00 0.00 177.10 175.35 2gk3 h ALA 104 N 9.85 1.54 -0.36 1.71 0.00 -1.92 0.23 119.26 130.31 2gk3 h ALA 104 Ca -0.25 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 2gk3 h ALA 104 Cb 1.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2gk3 h ALA 104 CO 1.11 0.35 -0.18 -0.07 0.00 0.00 0.00 179.25 180.47 2gk3 h LEU 105 N 0.96 0.66 -0.29 0.00 3.38 -1.91 -1.28 115.31 116.84 2gk3 h LEU 105 Ca 0.34 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 2gk3 h LEU 105 Cb 0.13 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2gk3 h LEU 105 CO -0.11 0.85 -0.14 -0.33 0.09 0.00 0.00 178.44 178.79 2gk3 h GLU 106 N 0.59 0.60 -0.28 1.13 4.39 -1.56 -2.19 114.58 117.26 2gk3 h GLU 106 Ca 0.09 -0.27 0.07 0.00 0.34 0.00 0.00 59.36 59.60 2gk3 h GLU 106 Cb 0.64 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.20 2gk3 h GLU 106 CO 0.04 0.84 -0.21 0.77 -1.16 0.00 0.00 179.01 179.29 2gk3 h SER 107 N 0.35 -0.69 -0.53 1.42 0.02 -0.36 -0.39 113.55 113.37 2gk3 h SER 107 Ca 0.06 0.14 0.03 0.00 -0.84 0.00 0.00 61.79 61.18 2gk3 h SER 107 Cb 0.66 0.34 -0.04 0.00 0.14 0.00 0.00 62.40 63.51 2gk3 h SER 107 CO 0.04 -0.25 0.30 0.40 -1.14 0.00 0.00 176.83 176.18 2gk3 h ILE 108 N -0.20 1.02 -0.72 3.27 2.04 -1.22 -0.01 117.51 121.68 2gk3 h ILE 108 Ca 0.15 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 2gk3 h ILE 108 Cb 0.43 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 2gk3 h ILE 108 CO -0.40 0.11 0.36 0.50 0.00 0.00 0.00 178.15 178.72 2gk3 h LYS 109 N 0.59 1.02 -0.40 2.37 3.64 -0.91 -1.06 116.57 121.82 2gk3 h LYS 109 Ca 0.22 -0.13 -0.12 0.00 -1.27 0.00 0.00 60.65 59.35 2gk3 h LYS 109 Cb 0.07 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 2gk3 h LYS 109 CO -0.12 0.78 -0.20 1.49 -2.27 0.00 0.00 179.45 179.13 2gk3 h GLU 110 N 1.02 0.84 -0.54 1.90 4.57 -0.43 -1.12 114.58 120.82 2gk3 h GLU 110 Ca 0.25 -0.37 0.05 0.00 -1.18 0.00 0.00 59.36 58.11 2gk3 h GLU 110 Cb 0.09 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.61 2gk3 h GLU 110 CO -0.03 1.01 0.28 -0.92 -1.18 0.00 0.00 179.01 178.16 2gk3 h TYR 111 N 0.65 0.51 -0.42 0.92 3.20 -0.34 -1.64 116.97 119.87 2gk3 h TYR 111 Ca 0.09 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.85 2gk3 h TYR 111 Cb 0.76 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 2gk3 h TYR 111 CO 0.06 0.25 -0.27 0.28 -1.64 0.00 0.00 178.16 176.84 2gk3 h VAL 112 N 0.53 1.28 -0.87 1.81 2.07 -1.17 -0.54 116.25 119.36 2gk3 h VAL 112 Ca 0.24 -1.43 0.17 0.00 0.82 0.00 0.00 66.70 66.50 2gk3 h VAL 112 Cb 0.15 1.28 -0.10 0.00 -1.52 0.00 0.00 31.29 31.10 2gk3 h VAL 112 CO -0.16 0.48 0.43 0.50 0.02 0.00 0.00 177.57 178.84 2gk3 h LYS 113 N 0.74 0.55 -0.92 1.57 3.64 -0.58 0.37 116.57 121.94 2gk3 h LYS 113 Ca 0.08 -0.03 -0.55 0.00 -1.27 0.00 0.00 60.65 58.88 2gk3 h LYS 113 Cb 0.84 -0.12 -0.29 0.00 -0.41 0.00 0.00 32.23 32.25 2gk3 h LYS 113 CO 0.07 0.36 0.58 0.09 -2.27 0.00 0.00 179.45 178.29 2gk3 n ASN 114 N -4.91 5.28 0.00 4.20 3.02 -0.67 -2.04 115.26 120.13 2gk3 n ASN 114 Ca 0.19 -3.71 0.00 0.00 -0.03 0.00 0.00 54.58 51.03 2gk3 n ASN 114 Cb 0.50 -0.85 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 2gk3 n ASN 114 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gk3 n GLY 115 N -1.03 1.96 3.55 7.41 0.00 -0.85 -4.90 105.19 111.34 2gk3 n GLY 115 Ca 0.57 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 2gk3 n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gk3 n GLY 116 N 0.00 -0.76 3.90 -0.02 0.00 -0.21 -4.19 105.19 103.91 2gk3 n GLY 116 Ca 0.00 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 2gk3 n GLY 116 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gk3 s GLY 117 N -0.98 2.21 -0.08 -0.02 0.00 -0.50 -3.64 107.32 104.32 2gk3 s GLY 117 Ca 0.67 -0.56 -0.01 0.00 0.00 0.00 0.00 44.72 44.82 2gk3 s GLY 117 CO 0.54 -0.48 -0.01 -2.27 0.00 0.00 0.00 173.10 170.88 2gk3 s LEU 118 N -2.72 0.74 0.00 0.66 2.96 -0.85 0.05 118.68 119.52 2gk3 s LEU 118 Ca 0.41 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.20 2gk3 s LEU 118 Cb -0.12 -0.51 0.00 0.00 0.50 0.00 0.00 46.19 46.06 2gk3 s LEU 118 CO 0.25 -0.17 0.00 -0.11 -1.32 0.00 0.00 176.35 175.00 2gk3 n LEU 119 N 5.03 0.00 -3.64 -0.68 7.94 -0.27 -1.00 117.00 124.37 2gk3 n LEU 119 Ca -0.09 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.74 2gk3 n LEU 119 Cb 0.50 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.38 2gk3 n LEU 119 CO 0.12 -0.25 0.76 -0.63 -1.11 0.00 0.00 177.39 176.29 2gk3 s ILE 121 N 0.19 0.00 0.89 1.96 1.01 -0.29 0.02 121.20 124.97 2gk3 s ILE 121 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.53 2gk3 s ILE 121 Cb 0.00 -1.00 0.12 0.00 0.01 0.00 0.00 42.46 41.59 2gk3 s ILE 121 CO 0.00 0.00 1.10 -0.83 0.00 0.00 0.00 174.94 175.21 2gk3 s GLY 122 N 0.47 1.61 0.00 6.18 0.00 0.42 -3.99 107.32 112.00 2gk3 s GLY 122 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.54 2gk3 s GLY 122 CO -0.09 0.31 0.00 0.61 0.00 0.00 0.00 173.10 173.93 2gk3 n GLY 123 N -1.49 -2.44 0.19 0.20 0.00 -1.26 -3.86 105.19 96.53 2gk3 n GLY 123 Ca 0.07 -1.28 0.06 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.55 1.61 -1.99 -1.96 -3.17 116.97 110.91 2gk3 h TYR 124 Ca 0.00 0.00 -0.33 0.00 2.00 0.00 0.00 58.73 60.40 2gk3 h TYR 124 Cb 0.00 0.00 -0.20 0.00 2.00 0.00 0.00 36.73 38.53 2gk3 h TYR 124 CO 0.00 0.37 0.00 1.28 -0.00 0.00 0.00 178.16 179.81 2gk3 n LEU 125 N -3.55 4.95 -4.50 3.88 4.32 -1.26 -1.41 117.00 119.43 2gk3 n LEU 125 Ca -0.00 -3.97 -0.24 0.00 -0.02 0.00 0.00 56.01 51.78 2gk3 n LEU 125 Cb 0.50 -0.66 -0.11 0.00 -1.62 0.00 0.00 43.42 41.54 2gk3 n LEU 125 CO 0.37 1.39 -0.34 -0.44 -1.22 0.00 0.00 177.39 177.15 2gk3 s SER 126 N -2.48 3.18 0.00 -1.43 0.01 -1.20 -2.47 113.70 109.31 2gk3 s SER 126 Ca 0.49 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 56.49 2gk3 s SER 126 Cb 0.43 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.41 2gk3 s SER 126 CO 0.01 -0.37 0.00 0.49 0.41 0.00 0.00 173.24 173.78 2gk3 n PHE 127 N -0.73 0.00 -2.92 2.43 3.72 -1.26 -4.71 117.46 113.99 2gk3 n PHE 127 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 2gk3 n PHE 127 Cb 0.65 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 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 -0.60 3.70 1.37 0.00 -1.26 -2.21 105.19 106.19 2gk3 n GLY 129 Ca 0.00 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.79 2.96 -1.44 -0.61 2.07 -0.50 -1.52 121.20 119.38 2gk3 s ILE 130 Ca 0.00 0.52 0.00 0.00 -1.41 0.00 0.00 60.65 59.76 2gk3 s ILE 130 Cb 0.00 -3.34 0.00 0.00 0.13 0.00 0.00 42.46 39.25 2gk3 s ILE 130 CO 0.00 0.01 0.00 -0.62 -1.91 0.00 0.00 174.94 172.42 2gk3 n GLU 131 N 5.04 -1.62 -1.84 3.50 1.02 -1.26 -1.49 120.64 123.99 2gk3 n GLU 131 Ca 0.15 0.81 -0.20 0.00 -0.02 0.00 0.00 57.16 57.89 2gk3 n GLU 131 Cb 0.40 -5.22 -0.06 0.00 -0.02 0.00 0.00 31.44 26.54 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 -0.45 -0.40 0.21 0.62 0.00 -0.57 -4.76 120.51 115.15 2gk3 n ALA 132 Ca -0.16 0.28 0.05 0.00 0.00 0.00 0.00 53.44 53.62 2gk3 n ALA 132 Cb 0.54 -2.06 0.46 0.00 0.00 0.00 0.00 19.45 18.39 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 0.00 -0.21 0.00 1.57 -1.46 -2.50 116.57 113.96 2gk3 h LYS 133 Ca -0.44 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.22 2gk3 h LYS 133 Cb 1.34 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.64 2gk3 h LYS 133 CO 0.60 0.28 -0.38 0.00 -0.57 0.00 0.00 179.45 179.37 2gk3 h ALA 134 N 1.72 0.94 -0.50 3.86 0.00 -1.80 -3.44 119.26 120.05 2gk3 h ALA 134 Ca -0.00 -0.42 -0.21 0.00 0.00 0.00 0.00 54.91 54.27 2gk3 h ALA 134 Cb 0.53 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 2gk3 h ALA 134 CO 0.04 0.62 -0.19 -1.71 0.00 0.00 0.00 179.25 178.00 2gk3 n ASN 135 N -4.04 -5.11 0.05 0.00 5.15 -0.94 -1.65 115.26 108.72 2gk3 n ASN 135 Ca -0.01 0.26 0.09 0.00 -0.60 0.00 0.00 54.58 54.32 2gk3 n ASN 135 Cb 0.49 -3.53 0.54 0.00 -0.53 0.00 0.00 39.78 36.75 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 0.29 -0.44 1.20 -1.99 -1.76 -1.36 116.97 112.90 2gk3 h TYR 136 Ca -0.21 0.01 0.11 0.00 2.00 0.00 0.00 58.73 60.63 2gk3 h TYR 136 Cb 0.96 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 39.58 2gk3 h TYR 136 CO 0.47 0.16 0.31 -0.22 -0.00 0.00 0.00 178.16 178.88 2gk3 h LYS 137 N 0.29 0.10 -1.00 4.88 3.64 -1.89 -1.76 116.57 120.83 2gk3 h LYS 137 Ca 0.15 -0.01 -0.40 0.00 -1.27 0.00 0.00 60.65 59.13 2gk3 h LYS 137 Cb 0.24 -0.02 -0.24 0.00 -0.41 0.00 0.00 32.23 31.80 2gk3 h LYS 137 CO -0.03 0.07 0.51 0.09 -2.27 0.00 0.00 179.45 177.82 2gk3 n ASN 138 N -4.44 3.60 -4.39 4.20 3.02 -0.51 -4.79 115.26 111.96 2gk3 n ASN 138 Ca 0.07 -3.25 -0.19 0.00 -0.03 0.00 0.00 54.58 51.17 2gk3 n ASN 138 Cb 0.44 -0.76 -0.10 0.00 -0.61 0.00 0.00 39.78 38.74 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 -2.58 1.44 -0.62 3.41 -4.23 -0.66 -5.03 115.64 107.37 2gk3 s THR 139 Ca 0.45 -2.10 0.11 0.00 -1.18 0.00 0.00 61.69 58.97 2gk3 s THR 139 Cb 0.38 -2.37 0.11 0.00 1.34 0.00 0.00 72.50 71.96 2gk3 s THR 139 CO 0.09 -0.34 1.34 1.33 -0.54 0.00 0.00 174.62 176.50 2gk3 n VAL 140 N -0.50 1.48 0.45 2.29 0.24 -1.26 -2.13 118.33 118.90 2gk3 n VAL 140 Ca -0.06 0.59 0.12 0.00 -2.04 0.00 0.00 64.34 62.95 2gk3 n VAL 140 Cb 0.63 -1.58 0.17 0.00 -1.47 0.00 0.00 33.84 31.60 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 -1.32 1.34 5.85 -1.85 -3.38 115.31 115.95 2gk3 h LEU 141 Ca 0.00 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 2gk3 h LEU 141 Cb 0.02 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2gk3 h LEU 141 CO 0.00 0.06 0.38 0.00 -0.34 0.00 0.00 178.44 178.54 2gk3 h ALA 142 N 2.36 1.49 0.00 1.25 0.00 -1.55 -1.84 119.26 120.97 2gk3 h ALA 142 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2gk3 h ALA 142 Cb 0.82 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2gk3 h ALA 142 CO 0.00 0.45 0.00 1.05 0.00 0.00 0.00 179.25 180.75 2gk3 h GLU 143 N 0.86 0.00 0.00 0.00 4.11 -1.80 -2.53 114.58 115.22 2gk3 h GLU 143 Ca 0.23 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.63 2gk3 h GLU 143 Cb -0.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 2gk3 h GLU 143 CO -0.04 0.00 -0.12 0.28 0.07 0.00 0.00 179.01 179.19 2gk3 h VAL 144 N 0.00 0.29 -3.08 -1.06 2.07 -1.58 -3.46 116.25 109.42 2gk3 h VAL 144 Ca 0.00 -0.93 -0.60 0.00 0.82 0.00 0.00 66.70 65.99 2gk3 h VAL 144 Cb 0.60 1.74 -0.06 0.00 -1.52 0.00 0.00 31.29 32.05 2gk3 h VAL 144 CO 0.00 0.12 -0.17 -0.76 0.02 0.00 0.00 177.57 176.78 2gk3 s LEU 145 N -6.46 4.46 0.00 2.57 1.43 -0.96 -4.73 118.68 115.00 2gk3 s LEU 145 Ca 0.02 0.99 0.00 0.00 -1.03 0.00 0.00 54.13 54.11 2gk3 s LEU 145 Cb 0.09 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.67 2gk3 s LEU 145 CO 0.61 0.28 0.56 -0.81 0.23 0.00 0.00 176.35 177.23 2gk3 n PRO 146 N 2.01 0.81 -4.24 1.29 -0.04 -1.26 -4.72 135.00 128.84 2gk3 n PRO 146 Ca -0.13 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.17 2gk3 n PRO 146 Cb 0.52 -1.24 -0.11 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.39 1.24 0.52 0.52 -7.23 -1.26 -0.84 120.40 111.96 2gk3 s VAL 147 Ca 0.00 -1.87 0.07 0.00 -1.81 0.00 0.00 61.98 58.37 2gk3 s VAL 147 Cb 0.00 -1.65 0.03 0.00 0.56 0.00 0.00 36.38 35.32 2gk3 s VAL 147 CO 0.00 -0.57 0.48 -0.63 -0.31 0.00 0.00 175.10 174.07 2gk3 s ILE 148 N -2.67 2.03 0.35 -0.62 1.01 0.33 -4.86 121.20 116.78 2gk3 s ILE 148 Ca 0.12 -1.34 0.08 0.00 0.00 0.00 0.00 60.65 59.51 2gk3 s ILE 148 Cb -0.02 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 2gk3 s ILE 148 CO 0.02 0.00 0.14 -0.76 0.00 0.00 0.00 174.94 174.34 2gk3 s LEU 150 N -4.33 3.22 0.11 2.97 1.43 -1.26 -0.93 118.68 119.89 2gk3 s LEU 150 Ca 0.44 -0.84 0.27 0.00 -1.03 0.00 0.00 54.13 52.98 2gk3 s LEU 150 Cb -0.03 -1.67 1.01 0.00 0.03 0.00 0.00 46.19 45.53 2gk3 s LEU 150 CO 0.27 -0.34 1.85 0.47 0.23 0.00 0.00 176.35 178.83 2gk3 n ASP 151 N -1.15 0.42 0.00 2.29 8.00 -1.26 -4.91 116.55 119.93 2gk3 n ASP 151 Ca -0.03 0.53 0.00 0.00 0.71 0.00 0.00 54.79 56.00 2gk3 n ASP 151 Cb 0.62 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 2gk3 n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gk3 n GLY 152 N 1.40 5.38 3.62 0.44 0.00 -1.26 -5.06 105.19 109.71 2gk3 n GLY 152 Ca 0.06 -1.16 -0.56 0.00 0.00 0.00 0.00 46.02 44.36 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 1.55 -0.17 1.61 -0.08 -1.26 -4.65 116.55 113.54 2gk3 n ASP 153 Ca 0.00 1.12 0.02 0.00 -1.51 0.00 0.00 54.79 54.42 2gk3 n ASP 153 Cb 0.00 -1.11 0.04 0.00 2.34 0.00 0.00 41.12 42.39 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 3.25 2.02 -4.75 1.67 5.75 -1.22 -4.95 116.55 118.31 2gk3 n ASP 154 Ca 0.22 -1.79 -0.41 0.00 -0.01 0.00 0.00 54.79 52.80 2gk3 n ASP 154 Cb 0.14 -0.05 -0.02 0.00 -1.03 0.00 0.00 41.12 40.15 2gk3 n ASP 154 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2gk3 s ARG 155 N -0.82 4.33 -0.25 0.11 0.52 -1.26 -0.42 118.95 121.15 2gk3 s ARG 155 Ca 0.06 2.22 -0.03 0.00 -0.52 0.00 0.00 55.73 57.46 2gk3 s ARG 155 Cb 0.03 -3.11 0.02 0.00 0.52 0.00 0.00 34.95 32.41 2gk3 s ARG 155 CO 0.05 -0.30 -0.03 0.08 0.02 0.00 0.00 175.30 175.12 2gk3 s VAL 156 N -0.40 3.19 -0.23 3.52 1.01 0.55 -4.87 120.40 123.18 2gk3 s VAL 156 Ca 0.55 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 2gk3 s VAL 156 Cb -0.40 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 2gk3 s VAL 156 CO 0.46 0.22 0.38 -1.61 0.00 0.00 0.00 175.10 174.54 2gk3 s GLU 157 N 1.39 4.10 -0.56 2.72 0.41 -1.26 -1.57 118.70 123.92 2gk3 s GLU 157 Ca 0.02 0.11 0.06 0.00 -0.41 0.00 0.00 54.97 54.75 2gk3 s GLU 157 Cb -0.16 -3.59 0.23 0.00 -1.78 0.00 0.00 34.13 28.82 2gk3 s GLU 157 CO -0.03 -0.14 0.60 1.63 -0.49 0.00 0.00 175.26 176.83 2gk3 n LYS 158 N 4.86 1.67 0.31 1.61 4.76 0.77 -4.92 118.16 127.23 2gk3 n LYS 158 Ca -0.09 -4.10 0.19 0.00 -2.87 0.00 0.00 58.31 51.45 2gk3 n LYS 158 Cb 0.51 -1.93 1.03 0.00 -1.84 0.00 0.00 35.03 32.80 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 4.51 0.00 0.00 1.97 0.13 -1.91 -0.17 132.00 136.53 2gk3 h PRO 159 Ca 0.16 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.24 2gk3 h PRO 159 Cb 0.76 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 2gk3 h PRO 159 CO 0.67 0.02 -0.25 0.93 -0.23 0.00 0.00 178.00 179.13 2gk3 h GLU 160 N 0.00 0.00 0.00 0.86 3.07 -1.91 -3.50 114.58 113.11 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 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 2gk3 h GLU 160 CO 0.00 0.25 0.00 0.41 -1.40 0.00 0.00 179.01 178.28 2gk3 n GLY 161 N 0.06 0.25 2.97 -3.84 0.00 -0.08 -5.09 105.19 99.46 2gk3 n GLY 161 Ca -0.00 -1.40 -0.14 0.00 0.00 0.00 0.00 46.02 44.47 2gk3 n GLY 161 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gk3 s ILE 162 N -1.23 0.36 0.39 -0.61 1.09 -0.66 -4.93 121.20 115.60 2gk3 s ILE 162 Ca 0.00 -0.43 -0.11 0.00 -1.10 0.00 0.00 60.65 59.01 2gk3 s ILE 162 Cb 0.00 -0.35 -0.07 0.00 -1.06 0.00 0.00 42.46 40.98 2gk3 s ILE 162 CO 0.00 -0.06 0.76 0.00 -0.10 0.00 0.00 174.94 175.54 2gk3 s ALA 164 N -2.33 2.78 -0.02 0.00 0.00 -1.06 -4.49 121.76 116.64 2gk3 s ALA 164 Ca 0.51 0.58 0.02 0.00 0.00 0.00 0.00 51.96 53.07 2gk3 s ALA 164 Cb -0.10 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.75 2gk3 s ALA 164 CO 0.30 -0.60 -0.07 -1.21 0.00 0.00 0.00 175.76 174.19 2gk3 s GLU 165 N -3.55 0.79 -0.21 0.00 2.02 -0.64 -4.73 118.70 112.39 2gk3 s GLU 165 Ca 0.67 -0.22 -0.25 0.00 0.02 0.00 0.00 54.97 55.19 2gk3 s GLU 165 Cb -0.18 -0.76 -0.01 0.00 0.10 0.00 0.00 34.13 33.28 2gk3 s GLU 165 CO 0.27 0.06 0.81 0.00 0.02 0.00 0.00 175.26 176.43 2gk3 s ALA 166 N 0.30 3.59 -0.57 5.21 0.00 -1.26 -0.42 121.76 128.61 2gk3 s ALA 166 Ca -0.04 -0.08 0.21 0.00 0.00 0.00 0.00 51.96 52.05 2gk3 s ALA 166 Cb -0.09 -3.24 -0.27 0.00 0.00 0.00 0.00 23.12 19.53 2gk3 s ALA 166 CO 0.00 -0.79 0.72 1.33 0.00 0.00 0.00 175.76 177.03 2gk3 n VAL 167 N 5.00 0.00 -3.39 0.00 0.24 -0.57 -4.58 118.33 115.04 2gk3 n VAL 167 Ca 0.05 -0.22 -0.26 0.00 -2.04 0.00 0.00 64.34 61.86 2gk3 n VAL 167 Cb 0.48 0.55 -0.09 0.00 -1.47 0.00 0.00 33.84 33.31 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 -1.84 0.96 0.26 -1.34 7.64 -1.15 -4.96 113.62 113.19 2gk3 n SER 168 Ca 0.00 -2.79 0.18 0.00 1.01 0.00 0.00 58.87 57.27 2gk3 n SER 168 Cb 0.44 -0.63 0.84 0.00 -1.01 0.00 0.00 64.21 63.85 2gk3 n SER 168 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2gk3 h PRO 169 N 4.74 0.00 0.00 1.43 0.11 -1.84 -2.17 132.00 134.27 2gk3 h PRO 169 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2gk3 h PRO 169 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 2gk3 h PRO 169 CO 0.53 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.47 2gk3 n GLU 170 N -2.84 0.06 -2.01 1.05 0.00 -1.26 -4.04 120.64 111.60 2gk3 n GLU 170 Ca -0.01 0.07 -0.42 0.00 0.00 0.00 0.00 57.16 56.80 2gk3 n GLU 170 Cb 0.17 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.08 2gk3 n GLU 170 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2gk3 s HIS 171 N -2.93 3.05 0.58 -1.84 2.46 -0.82 -4.85 115.29 110.94 2gk3 s HIS 171 Ca 0.14 0.92 0.29 0.00 0.47 0.00 0.00 55.06 56.88 2gk3 s HIS 171 Cb 0.16 -3.83 1.49 0.00 -0.13 0.00 0.00 32.58 30.27 2gk3 s HIS 171 CO 0.44 -2.83 1.91 -1.35 -2.47 0.00 0.00 174.74 170.45 2gk3 h PRO 172 N 5.61 0.00 -0.26 2.88 0.11 -1.91 -1.70 132.00 136.73 2gk3 h PRO 172 Ca -0.45 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.57 2gk3 h PRO 172 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2gk3 h PRO 172 CO 0.82 0.00 -0.20 0.28 -0.21 0.00 0.00 178.00 178.69 2gk3 h VAL 173 N 0.00 1.31 -0.42 3.15 2.07 -1.90 -3.33 116.25 117.12 2gk3 h VAL 173 Ca 0.22 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.41 2gk3 h VAL 173 Cb 1.15 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 2gk3 h VAL 173 CO -0.00 0.42 0.00 1.33 0.02 0.00 0.00 177.57 179.34 2gk3 n VAL 174 N -4.38 1.04 -1.68 2.57 0.24 -0.70 -4.71 118.33 110.71 2gk3 n VAL 174 Ca -0.04 -1.02 -0.45 0.00 -2.04 0.00 0.00 64.34 60.78 2gk3 n VAL 174 Cb 0.41 0.48 -0.04 0.00 -1.47 0.00 0.00 33.84 33.21 2gk3 n VAL 174 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2gk3 n ASN 175 N 0.71 3.68 -0.32 -1.34 4.13 -0.82 -1.26 115.26 120.05 2gk3 n ASN 175 Ca 0.14 0.98 -0.04 0.00 1.68 0.00 0.00 54.58 57.34 2gk3 n ASN 175 Cb 0.48 -1.45 -0.02 0.00 -1.54 0.00 0.00 39.78 37.25 2gk3 n ASN 175 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2gk3 n GLY 176 N 4.26 0.67 3.84 7.41 0.00 -1.26 -5.04 105.19 115.08 2gk3 n GLY 176 Ca 0.20 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 2gk3 n GLY 176 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2gk3 s PHE 177 N -2.15 3.54 0.30 1.61 0.40 -0.39 -5.09 117.98 116.20 2gk3 s PHE 177 Ca 0.00 1.19 -0.11 0.00 -0.60 0.00 0.00 56.93 57.42 2gk3 s PHE 177 Cb 0.00 -2.48 0.01 0.00 0.51 0.00 0.00 43.02 41.05 2gk3 s PHE 177 CO 0.00 0.30 0.54 -1.54 0.70 0.00 0.00 175.22 175.22 2gk3 s SER 178 N -1.91 0.22 -1.12 1.36 1.04 -1.26 -5.02 113.70 107.02 2gk3 s SER 178 Ca 0.45 -1.12 -0.07 0.00 0.48 0.00 0.00 55.95 55.68 2gk3 s SER 178 Cb -0.14 0.66 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 2gk3 s SER 178 CO 0.20 -1.29 0.88 -0.67 0.98 0.00 0.00 173.24 173.34 2gk3 n ASP 179 N -0.87 -5.16 -4.77 7.02 2.03 -1.26 -4.90 116.55 108.64 2gk3 n ASP 179 Ca -0.02 -0.77 -0.40 0.00 0.52 0.00 0.00 54.79 54.12 2gk3 n ASP 179 Cb 0.61 -4.73 0.01 0.00 -0.72 0.00 0.00 41.12 36.29 2gk3 n ASP 179 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2gk3 s TYR 180 N -3.43 2.57 0.88 -0.67 1.51 -1.26 -4.99 117.35 111.95 2gk3 s TYR 180 Ca 0.35 1.28 -0.13 0.00 -1.01 0.00 0.00 57.07 57.56 2gk3 s TYR 180 Cb -0.07 -3.88 0.13 0.00 -0.11 0.00 0.00 41.96 38.02 2gk3 s TYR 180 CO 0.77 -2.75 1.19 -1.25 -1.11 0.00 0.00 175.55 172.39 2gk3 s PRO 181 N -2.33 1.37 0.30 -1.71 0.04 -1.26 -4.67 135.00 126.75 2gk3 s PRO 181 Ca 0.58 0.07 -0.16 0.00 0.04 0.00 0.00 61.00 61.54 2gk3 s PRO 181 Cb -0.43 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 2gk3 s PRO 181 CO 0.56 -2.00 0.74 0.14 0.04 0.00 0.00 177.00 176.48 2gk3 s VAL 182 N -3.52 4.64 0.18 -0.36 -7.23 -1.26 -2.55 120.40 110.31 2gk3 s VAL 182 Ca 0.65 1.04 0.09 0.00 -1.81 0.00 0.00 61.98 61.95 2gk3 s VAL 182 Cb -0.11 -3.67 -0.04 0.00 0.56 0.00 0.00 36.38 33.12 2gk3 s VAL 182 CO 0.51 -0.10 -0.19 -0.36 -0.31 0.00 0.00 175.10 174.65 2gk3 s PHE 183 N -1.89 1.91 -1.35 2.82 0.40 0.57 -4.06 117.98 116.38 2gk3 s PHE 183 Ca 0.52 -0.45 0.13 0.00 -0.60 0.00 0.00 56.93 56.53 2gk3 s PHE 183 Cb -0.12 -0.93 0.27 0.00 0.51 0.00 0.00 43.02 42.76 2gk3 s PHE 183 CO 0.18 0.39 1.17 1.28 0.70 0.00 0.00 175.22 178.93 2gk3 n LEU 184 N 0.14 2.76 0.00 -0.37 4.32 0.21 -1.66 117.00 122.40 2gk3 n LEU 184 Ca -0.12 -1.62 0.00 0.00 -0.02 0.00 0.00 56.01 54.25 2gk3 n LEU 184 Cb 0.57 -0.18 0.00 0.00 -1.62 0.00 0.00 43.42 42.20 2gk3 n LEU 184 CO 0.30 0.64 0.00 0.61 -1.22 0.00 0.00 177.39 177.72 2gk3 n GLY 185 N 0.75 -0.33 3.58 -0.72 0.00 -1.26 -0.16 105.19 107.05 2gk3 n GLY 185 Ca 0.12 -1.17 -0.05 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.00 -0.21 0.01 1.61 -0.85 -0.61 -4.63 117.35 110.67 2gk3 s TYR 186 Ca 0.00 0.09 -0.25 0.00 -0.52 0.00 0.00 57.07 56.39 2gk3 s TYR 186 Cb 0.00 0.54 -0.05 0.00 0.38 0.00 0.00 41.96 42.84 2gk3 s TYR 186 CO 0.00 -0.43 0.78 -0.80 -1.52 0.00 0.00 175.55 173.58 2gk3 s ASN 187 N -2.48 7.18 -0.19 -0.18 -0.87 -1.26 -0.33 114.94 116.81 2gk3 s ASN 187 Ca 0.08 1.42 -0.18 0.00 -1.57 0.00 0.00 52.86 52.61 2gk3 s ASN 187 Cb -0.00 -2.47 -0.03 0.00 -0.02 0.00 0.00 41.25 38.72 2gk3 s ASN 187 CO -0.06 -0.05 0.48 -1.58 -2.57 0.00 0.00 177.10 173.33 2gk3 s GLN 188 N 0.27 4.20 0.32 -0.60 0.74 0.43 -4.83 119.66 120.20 2gk3 s GLN 188 Ca 0.40 0.36 0.06 0.00 0.05 0.00 0.00 55.36 56.23 2gk3 s GLN 188 Cb -0.20 -3.55 -0.02 0.00 1.10 0.00 0.00 33.01 30.34 2gk3 s GLN 188 CO 0.22 -0.10 0.31 0.00 -0.55 0.00 0.00 175.29 175.17 2gk3 n ALA 189 N 4.62 0.53 -2.34 1.58 0.00 -1.26 -4.24 120.51 119.41 2gk3 n ALA 189 Ca -0.06 -1.83 -0.18 0.00 0.00 0.00 0.00 53.44 51.37 2gk3 n ALA 189 Cb 0.51 1.48 -0.10 0.00 0.00 0.00 0.00 19.45 21.34 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 -3.23 1.51 0.00 0.00 1.01 -0.10 -4.49 120.40 115.10 2gk3 s VAL 190 Ca 0.37 -2.14 0.00 0.00 0.00 0.00 0.00 61.98 60.21 2gk3 s VAL 190 Cb 0.01 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.29 2gk3 s VAL 190 CO 0.26 -0.55 0.00 0.00 0.00 0.00 0.00 175.10 174.81 2gk3 n ALA 191 N -0.38 0.00 -1.44 5.51 0.00 -1.26 -0.52 120.51 122.43 2gk3 n ALA 191 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.04 2gk3 n ALA 191 Cb 0.61 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.12 2gk3 n ALA 191 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2gk3 s ARG 192 N 0.00 2.67 0.23 0.00 0.52 -0.02 -4.69 118.95 117.67 2gk3 s ARG 192 Ca 0.00 1.22 -0.07 0.00 -0.52 0.00 0.00 55.73 56.37 2gk3 s ARG 192 Cb 0.00 -1.95 0.41 0.00 0.52 0.00 0.00 34.95 33.93 2gk3 s ARG 192 CO 0.00 -1.33 1.68 -0.44 0.02 0.00 0.00 175.30 175.24 2gk3 h ASP 193 N -0.47 -0.05 -0.46 0.23 3.32 -1.92 -0.38 116.42 116.69 2gk3 h ASP 193 Ca -0.45 0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2gk3 h ASP 193 Cb 1.23 0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.99 2gk3 h ASP 193 CO 0.54 -0.05 0.00 -0.90 -1.72 0.00 0.00 179.24 177.11 2gk3 n ASP 194 N -5.18 4.74 -4.90 6.45 5.75 -1.26 -4.92 116.55 117.23 2gk3 n ASP 194 Ca 0.13 -2.72 -0.24 0.00 -0.01 0.00 0.00 54.79 51.95 2gk3 n ASP 194 Cb 0.42 -0.64 -0.04 0.00 -1.03 0.00 0.00 41.12 39.84 2gk3 n ASP 194 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gk3 s ALA 195 N -2.37 3.80 -0.31 2.12 0.00 -0.15 -4.87 121.76 119.97 2gk3 s ALA 195 Ca 0.43 -1.20 -0.07 0.00 0.00 0.00 0.00 51.96 51.13 2gk3 s ALA 195 Cb 0.33 -1.59 0.02 0.00 0.00 0.00 0.00 23.12 21.89 2gk3 s ALA 195 CO 0.13 0.40 0.09 -0.51 0.00 0.00 0.00 175.76 175.87 2gk3 s ASP 196 N -3.51 5.20 -0.26 0.00 1.01 0.59 -4.83 116.67 114.87 2gk3 s ASP 196 Ca 0.33 -0.89 -0.27 0.00 0.71 0.00 0.00 52.55 52.43 2gk3 s ASP 196 Cb -0.10 -1.88 0.01 0.00 1.01 0.00 0.00 42.92 41.96 2gk3 s ASP 196 CO 0.27 -0.25 0.95 -0.69 0.21 0.00 0.00 175.17 175.66 2gk3 s VAL 197 N 1.46 4.71 -0.23 -1.27 1.01 -1.26 -1.29 120.40 123.52 2gk3 s VAL 197 Ca 0.01 1.72 -0.07 0.00 0.00 0.00 0.00 61.98 63.64 2gk3 s VAL 197 Cb -0.18 -4.25 -0.12 0.00 0.00 0.00 0.00 36.38 31.83 2gk3 s VAL 197 CO 0.03 -0.21 -0.26 0.52 0.00 0.00 0.00 175.10 175.17 2gk3 n VAL 198 N 5.44 1.30 -4.95 2.92 0.31 -0.32 -4.42 118.33 118.60 2gk3 n VAL 198 Ca 0.09 -0.40 -0.31 0.00 -0.01 0.00 0.00 64.34 63.72 2gk3 n VAL 198 Cb 0.47 -1.61 -0.14 0.00 -0.91 0.00 0.00 33.84 31.64 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 -6.90 2.26 0.46 7.52 1.43 -1.16 -1.51 118.68 120.78 2gk3 s LEU 199 Ca -0.32 -0.51 0.06 0.00 -1.03 0.00 0.00 54.13 52.33 2gk3 s LEU 199 Cb 0.11 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.94 2gk3 s LEU 199 CO 0.46 0.28 0.17 0.42 0.23 0.00 0.00 176.35 177.91 2gk3 s THR 200 N -0.78 1.93 -0.22 5.49 -4.23 0.44 0.16 115.64 118.43 2gk3 s THR 200 Ca 0.12 -1.75 -0.07 0.00 -1.18 0.00 0.00 61.69 58.81 2gk3 s THR 200 Cb -0.10 -2.68 0.10 0.00 1.34 0.00 0.00 72.50 71.16 2gk3 s THR 200 CO 0.02 0.00 0.46 -0.51 -0.54 0.00 0.00 174.62 174.05 2gk3 s ILE 201 N -2.70 -0.71 -1.63 2.99 2.07 0.19 -1.61 121.20 119.80 2gk3 s ILE 201 Ca 0.32 0.14 -0.15 0.00 -1.41 0.00 0.00 60.65 59.55 2gk3 s ILE 201 Cb 0.03 -0.73 0.12 0.00 0.13 0.00 0.00 42.46 42.01 2gk3 s ILE 201 CO 0.18 0.06 0.77 -3.20 -1.91 0.00 0.00 174.94 170.83 2gk3 n ASN 202 N 5.40 -3.11 -1.08 4.50 5.15 -1.26 -0.12 115.26 124.74 2gk3 n ASN 202 Ca -0.09 -0.97 -0.14 0.00 -0.60 0.00 0.00 54.58 52.78 2gk3 n ASN 202 Cb 0.49 -3.00 -0.06 0.00 -0.53 0.00 0.00 39.78 36.68 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 -2.74 -5.32 -4.62 1.20 5.03 -1.26 -5.01 115.26 102.54 2gk3 n ASN 203 Ca 0.01 0.35 -0.25 0.00 0.87 0.00 0.00 54.58 55.56 2gk3 n ASN 203 Cb 0.53 -4.07 -0.08 0.00 -1.02 0.00 0.00 39.78 35.14 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 -2.62 4.49 0.42 6.41 1.01 0.83 -5.11 116.67 122.10 2gk3 s ASP 204 Ca 0.00 -0.57 -0.26 0.00 0.71 0.00 0.00 52.55 52.43 2gk3 s ASP 204 Cb 0.00 -0.84 -0.09 0.00 1.01 0.00 0.00 42.92 43.00 2gk3 s ASP 204 CO 0.00 0.06 1.46 -2.16 0.21 0.00 0.00 175.17 174.74 2gk3 s PRO 205 N -3.22 3.84 -0.06 8.23 0.04 -1.26 0.54 135.00 143.11 2gk3 s PRO 205 Ca 0.28 2.50 -0.04 0.00 0.04 0.00 0.00 61.00 63.79 2gk3 s PRO 205 Cb -0.08 -2.78 -0.03 0.00 0.04 0.00 0.00 34.50 31.66 2gk3 s PRO 205 CO 0.18 -0.73 -0.09 -0.11 0.04 0.00 0.00 177.00 176.29 2gk3 n LEU 206 N 0.05 0.53 -4.06 -3.56 7.94 0.12 -4.57 117.00 113.46 2gk3 n LEU 206 Ca 0.03 0.09 -0.29 0.00 -1.11 0.00 0.00 56.01 54.73 2gk3 n LEU 206 Cb 0.41 -0.22 -0.17 0.00 0.53 0.00 0.00 43.42 43.97 2gk3 n LEU 206 CO 0.61 0.10 -0.50 -0.22 -1.11 0.00 0.00 177.39 176.28 2gk3 s LEU 207 N -6.42 1.75 -0.02 -1.96 2.96 -0.70 -4.01 118.68 110.29 2gk3 s LEU 207 Ca -0.10 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.38 2gk3 s LEU 207 Cb 0.04 -1.16 -0.00 0.00 0.50 0.00 0.00 46.19 45.56 2gk3 s LEU 207 CO 0.12 0.00 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.35 2gk3 s VAL 208 N 1.12 0.95 0.05 1.68 1.01 0.62 -1.17 120.40 124.65 2gk3 s VAL 208 Ca -0.03 -0.49 0.09 0.00 0.00 0.00 0.00 61.98 61.56 2gk3 s VAL 208 Cb -0.14 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 2gk3 s VAL 208 CO -0.04 0.28 -0.26 -0.36 0.00 0.00 0.00 175.10 174.71 2gk3 s PHE 209 N -0.07 2.29 0.00 5.22 0.08 -0.41 -0.67 117.98 124.42 2gk3 s PHE 209 Ca 0.01 -0.41 0.00 0.00 0.12 0.00 0.00 56.93 56.65 2gk3 s PHE 209 Cb -0.07 -1.37 0.00 0.00 -0.57 0.00 0.00 43.02 41.01 2gk3 s PHE 209 CO 0.00 0.12 0.00 0.41 -0.10 0.00 0.00 175.22 175.66 2gk3 n GLY 210 N 1.77 3.03 3.13 4.36 0.00 -0.51 -0.30 105.19 116.68 2gk3 n GLY 210 Ca -0.17 -1.07 -0.08 0.00 0.00 0.00 0.00 46.02 44.70 2gk3 n GLY 210 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2gk3 s GLU 211 N -0.61 0.67 -0.23 1.61 -1.05 -1.26 -0.92 118.70 116.91 2gk3 s GLU 211 Ca 0.00 -1.01 -0.04 0.00 -0.15 0.00 0.00 54.97 53.77 2gk3 s GLU 211 Cb 0.00 0.25 0.08 0.00 -0.44 0.00 0.00 34.13 34.02 2gk3 s GLU 211 CO 0.00 -0.17 0.10 -0.47 0.95 0.00 0.00 175.26 175.67 2gk3 s TYR 212 N -3.51 0.54 0.00 4.83 5.04 0.04 -4.86 117.35 119.42 2gk3 s TYR 212 Ca 0.03 -0.76 0.00 0.00 -2.44 0.00 0.00 57.07 53.90 2gk3 s TYR 212 Cb 0.04 -0.93 0.00 0.00 0.35 0.00 0.00 41.96 41.42 2gk3 s TYR 212 CO -0.09 -0.68 0.00 1.04 -1.34 0.00 0.00 175.55 174.48 2gk3 n GLN 213 N 5.18 0.00 0.09 4.97 6.02 -1.26 -1.85 117.38 130.53 2gk3 n GLN 213 Ca -0.06 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.85 2gk3 n GLN 213 Cb 0.45 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.70 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 0.16 -7.36 -1.09 4.20 -1.58 -3.47 115.11 105.97 2gk3 h GLN 214 Ca 0.00 -0.18 -0.51 0.00 0.06 0.00 0.00 58.65 58.02 2gk3 h GLN 214 Cb 0.00 0.05 0.07 0.00 0.30 0.00 0.00 27.48 27.90 2gk3 h GLN 214 CO 0.00 0.94 0.41 0.20 -0.67 0.00 0.00 178.83 179.71 2gk3 s GLY 215 N -4.53 1.66 0.03 3.46 0.00 0.06 -4.50 107.32 103.51 2gk3 s GLY 215 Ca -0.02 -0.06 0.04 0.00 0.00 0.00 0.00 44.72 44.67 2gk3 s GLY 215 CO 0.82 0.22 -0.05 0.54 0.00 0.00 0.00 173.10 174.63 2gk3 s LYS 216 N -5.15 2.53 0.17 2.90 -0.14 -1.24 -0.78 119.74 118.02 2gk3 s LYS 216 Ca 0.56 -0.76 0.09 0.00 -1.36 0.00 0.00 55.97 54.49 2gk3 s LYS 216 Cb -0.11 -2.51 -0.04 0.00 -1.68 0.00 0.00 37.83 33.49 2gk3 s LYS 216 CO 0.54 0.58 -0.20 0.95 -0.76 0.00 0.00 175.35 176.46 2gk3 s THR 217 N -1.09 1.98 -0.02 2.17 -4.23 -0.10 -2.00 115.64 112.36 2gk3 s THR 217 Ca 0.19 -1.91 -0.05 0.00 -1.18 0.00 0.00 61.69 58.74 2gk3 s THR 217 Cb -0.11 -1.90 0.00 0.00 1.34 0.00 0.00 72.50 71.83 2gk3 s THR 217 CO 0.10 -0.22 0.10 0.00 -0.54 0.00 0.00 174.62 174.07 2gk3 s ALA 218 N -1.83 -0.24 -0.09 3.99 0.00 -0.17 -1.42 121.76 122.00 2gk3 s ALA 218 Ca 0.16 0.03 -0.00 0.00 0.00 0.00 0.00 51.96 52.15 2gk3 s ALA 218 Cb -0.07 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.04 2gk3 s ALA 218 CO 0.07 -0.13 -0.06 0.00 0.00 0.00 0.00 175.76 175.65 2gk3 n PHE 220 N 4.75 -1.43 0.00 0.00 7.35 -1.26 -0.28 117.46 126.59 2gk3 n PHE 220 Ca -0.14 -1.66 0.00 0.00 -0.76 0.00 0.00 57.45 54.89 2gk3 n PHE 220 Cb 0.50 -0.36 0.00 0.00 0.35 0.00 0.00 39.48 39.97 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 -2.11 0.00 -4.92 -2.13 2.88 -1.26 -0.43 113.62 105.65 2gk3 n SER 222 Ca 0.04 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.28 2gk3 n SER 222 Cb 0.46 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.88 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 6.41 0.02 -3.46 -1.08 -1.25 -1.15 116.67 116.16 2gk3 s ASP 223 Ca 0.00 0.41 0.27 0.00 -0.52 0.00 0.00 52.55 52.71 2gk3 s ASP 223 Cb 0.00 -2.02 0.85 0.00 -1.46 0.00 0.00 42.92 40.30 2gk3 s ASP 223 CO 0.00 0.06 1.67 0.00 0.52 0.00 0.00 175.17 177.42 2gk3 s SER 225 N -3.18 2.14 0.58 0.00 0.01 -1.26 -4.86 113.70 107.12 2gk3 s SER 225 Ca 0.12 -1.37 -0.20 0.00 1.31 0.00 0.00 55.95 55.80 2gk3 s SER 225 Cb 0.18 -0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.33 2gk3 s SER 225 CO 0.62 -0.62 1.31 -2.16 0.41 0.00 0.00 173.24 172.80 2gk3 s PRO 226 N -3.92 2.99 0.00 12.44 0.04 -0.99 -0.03 135.00 145.53 2gk3 s PRO 226 Ca 0.37 2.12 0.22 0.00 0.04 0.00 0.00 61.00 63.74 2gk3 s PRO 226 Cb 0.08 -2.11 -0.12 0.00 0.04 0.00 0.00 34.50 32.39 2gk3 s PRO 226 CO 0.15 -1.27 0.96 -2.39 0.04 0.00 0.00 177.00 174.48 2gk3 n HIS 227 N -1.31 0.01 -0.12 0.56 1.44 -1.26 -4.80 115.22 109.75 2gk3 n HIS 227 Ca 0.12 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.72 2gk3 n HIS 227 Cb 0.46 -0.08 -0.03 0.00 0.12 0.00 0.00 29.99 30.46 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 0.84 -3.07 -1.40 6.55 -1.88 -3.38 115.95 113.61 2gk3 h TRP 228 Ca 0.00 -0.20 -0.60 0.00 0.95 0.00 0.00 58.89 59.04 2gk3 h TRP 228 Cb 0.54 -0.20 -0.12 0.00 -0.86 0.00 0.00 29.16 28.53 2gk3 h TRP 228 CO 0.00 0.92 0.64 0.20 -1.05 0.00 0.00 178.44 179.15 2gk3 s GLY 229 N -3.53 1.34 0.84 1.49 0.00 0.95 -0.62 107.32 107.79 2gk3 s GLY 229 Ca -0.12 -1.29 -0.11 0.00 0.00 0.00 0.00 44.72 43.20 2gk3 s GLY 229 CO 0.82 2.14 1.09 -0.51 0.00 0.00 0.00 173.10 176.64 2gk3 s THR 230 N 4.20 2.91 0.42 0.90 -4.23 -1.26 -2.35 115.64 116.22 2gk3 s THR 230 Ca 0.31 0.29 0.23 0.00 -1.18 0.00 0.00 61.69 61.35 2gk3 s THR 230 Cb -0.12 -2.89 0.26 0.00 1.34 0.00 0.00 72.50 71.08 2gk3 s THR 230 CO 0.18 -0.39 2.04 1.56 -0.54 0.00 0.00 174.62 177.48 2gk3 h GLN 231 N -1.31 0.00 0.00 3.99 1.08 -1.94 -0.91 115.11 116.02 2gk3 h GLN 231 Ca -0.48 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.71 2gk3 h GLN 231 Cb 1.27 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.70 2gk3 h GLN 231 CO 0.56 0.15 -0.06 1.96 -0.95 0.00 0.00 178.83 180.49 2gk3 h GLN 232 N 0.00 0.00 -1.12 1.46 1.08 -1.92 -0.83 115.11 113.78 2gk3 h GLN 232 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2gk3 h GLN 232 Cb 0.35 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 2gk3 h GLN 232 CO 0.02 0.06 0.00 0.34 -0.95 0.00 0.00 178.83 178.30 2gk3 n PHE 233 N -3.14 0.00 0.00 2.96 7.35 -0.35 -2.20 117.46 122.08 2gk3 n PHE 233 Ca 0.02 -0.33 0.00 0.00 -0.76 0.00 0.00 57.45 56.38 2gk3 n PHE 233 Cb 0.44 -0.20 0.00 0.00 0.35 0.00 0.00 39.48 40.07 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 0.51 0.00 -4.65 -2.13 3.41 -0.32 -4.64 113.62 105.80 2gk3 n SER 235 Ca 0.00 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.16 2gk3 n SER 235 Cb 0.37 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.29 2gk3 n SER 235 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 2gk3 n TRP 236 N 0.00 1.94 0.25 7.33 -0.00 -0.93 -4.89 117.44 121.15 2gk3 n TRP 236 Ca 0.00 0.53 0.09 0.00 -0.00 0.00 0.00 57.50 58.11 2gk3 n TRP 236 Cb 0.00 -2.40 0.65 0.00 -0.00 0.00 0.00 31.31 29.56 2gk3 n TRP 236 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 2gk3 h PRO 237 N 3.51 0.00 -0.63 5.87 0.11 -1.90 -2.52 132.00 136.43 2gk3 h PRO 237 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2gk3 h PRO 237 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2gk3 h PRO 237 CO 0.71 0.08 0.00 1.19 -0.21 0.00 0.00 178.00 179.77 2gk3 n PHE 238 N -4.23 1.12 0.25 0.65 3.72 -1.26 -4.47 117.46 113.24 2gk3 n PHE 238 Ca -0.03 -0.48 -0.16 0.00 -0.05 0.00 0.00 57.45 56.74 2gk3 n PHE 238 Cb 0.16 -0.14 -0.08 0.00 -0.94 0.00 0.00 39.48 38.48 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 3.54 -0.71 -0.49 1.38 3.20 -1.71 0.93 116.97 123.11 2gk3 h TYR 239 Ca 0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 2gk3 h TYR 239 Cb 1.12 0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.62 2gk3 h TYR 239 CO 0.57 -0.41 0.18 1.15 -1.64 0.00 0.00 178.16 178.01 2gk3 h THR 240 N -0.67 1.19 -0.20 1.81 2.02 -1.81 -3.00 112.91 112.25 2gk3 h THR 240 Ca -0.04 -0.61 -0.08 0.00 0.77 0.00 0.00 66.41 66.45 2gk3 h THR 240 Cb 0.55 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 2gk3 h THR 240 CO 0.04 0.23 -0.18 0.44 0.37 0.00 0.00 175.52 176.42 2gk3 h ASP 241 N 0.70 0.51 -0.36 4.18 3.32 -1.76 -1.63 116.42 121.37 2gk3 h ASP 241 Ca 0.17 -0.47 0.05 0.00 0.02 0.00 0.00 57.03 56.80 2gk3 h ASP 241 Cb 0.17 -0.14 -0.08 0.00 0.22 0.00 0.00 39.33 39.50 2gk3 h ASP 241 CO -0.01 0.87 -0.54 0.25 -1.72 0.00 0.00 179.24 178.09 2gk3 h LEU 242 N 0.15 -1.77 -0.47 1.55 5.85 -0.71 0.14 115.31 120.07 2gk3 h LEU 242 Ca 0.03 0.23 -0.15 0.00 0.84 0.00 0.00 57.88 58.84 2gk3 h LEU 242 Cb 0.72 0.73 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 2gk3 h LEU 242 CO 0.05 -0.42 -0.32 -0.50 -0.34 0.00 0.00 178.44 176.91 2gk3 h TRP 243 N -0.42 1.08 -0.47 1.25 4.06 -1.51 -0.69 115.95 119.26 2gk3 h TRP 243 Ca 0.08 -0.30 -0.08 0.00 2.06 0.00 0.00 58.89 60.64 2gk3 h TRP 243 Cb 0.61 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 28.52 2gk3 h TRP 243 CO -0.68 1.11 -0.03 0.28 -3.56 0.00 0.00 178.44 175.56 2gk3 h VAL 244 N 0.77 1.27 -0.45 1.49 2.07 -1.18 -1.55 116.25 118.67 2gk3 h VAL 244 Ca 0.08 -1.11 -0.13 0.00 0.82 0.00 0.00 66.70 66.35 2gk3 h VAL 244 Cb 0.90 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2gk3 h VAL 244 CO 0.08 0.39 -0.23 0.78 0.02 0.00 0.00 177.57 178.61 2gk3 h ASN 245 N 0.69 0.98 -0.23 0.57 2.35 -0.58 0.68 115.58 120.05 2gk3 h ASN 245 Ca 0.13 -0.41 -0.01 0.00 -0.55 0.00 0.00 56.30 55.46 2gk3 h ASN 245 Cb 0.55 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 2gk3 h ASN 245 CO 0.03 1.17 0.10 0.71 -1.65 0.00 0.00 177.43 177.80 2gk3 h THR 246 N 0.79 1.15 -0.38 2.81 1.35 -1.10 0.07 112.91 117.60 2gk3 h THR 246 Ca 0.10 -0.44 0.01 0.00 -0.55 0.00 0.00 66.41 65.53 2gk3 h THR 246 Cb 0.81 1.02 -0.02 0.00 -1.73 0.00 0.00 68.15 68.23 2gk3 h THR 246 CO 0.07 0.15 0.24 -0.07 -0.25 0.00 0.00 175.52 175.66 2gk3 h LEU 247 N 0.24 0.41 -0.95 3.87 3.38 -1.17 -1.82 115.31 119.27 2gk3 h LEU 247 Ca 0.08 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2gk3 h LEU 247 Cb 0.14 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2gk3 h LEU 247 CO -0.01 0.30 0.44 -0.61 0.09 0.00 0.00 178.44 178.65 2gk3 h GLN 248 N 0.50 1.18 -0.32 1.13 5.75 -0.81 -0.09 115.11 122.45 2gk3 h GLN 248 Ca 0.14 -0.15 -0.08 0.00 -0.15 0.00 0.00 58.65 58.41 2gk3 h GLN 248 Cb -0.04 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.27 2gk3 h GLN 248 CO -0.04 0.88 -0.15 0.35 -2.65 0.00 0.00 178.83 177.22 2gk3 h PHE 249 N 1.18 0.61 -0.01 3.99 3.57 -0.54 -3.05 116.94 122.68 2gk3 h PHE 249 Ca 0.29 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.69 2gk3 h PHE 249 Cb 0.06 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.64 2gk3 h PHE 249 CO 0.01 0.69 -0.43 0.44 -2.23 0.00 0.00 178.31 176.78 2gk3 n ILE 250 N -4.17 0.00 -1.64 1.41 -5.35 -0.72 -4.98 119.36 103.90 2gk3 n ILE 250 Ca 0.01 -0.24 -0.40 0.00 -0.27 0.00 0.00 62.75 61.85 2gk3 n ILE 250 Cb 0.35 1.11 0.03 0.00 -1.74 0.00 0.00 39.64 39.40 2gk3 n ILE 250 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2gk3 n ALA 251 N -0.11 0.51 -1.67 -1.28 0.00 -0.06 -3.90 120.51 114.01 2gk3 n ALA 251 Ca 0.10 0.14 -0.54 0.00 0.00 0.00 0.00 53.44 53.15 2gk3 n ALA 251 Cb 0.45 -2.15 -0.06 0.00 0.00 0.00 0.00 19.45 17.69 2gk3 n ALA 251 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2gk3 n ARG 252 N -0.39 1.39 0.00 0.00 0.63 -0.87 -4.87 116.66 112.54 2gk3 n ARG 252 Ca 0.10 0.50 0.15 0.00 -0.92 0.00 0.00 57.85 57.69 2gk3 n ARG 252 Cb 0.43 -2.21 0.81 0.00 0.45 0.00 0.00 32.46 31.94 2gk3 n ARG 252 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48