#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gqg h LEU 5 N 0.00 1.01 -9.58 -3.43 5.85 -1.91 -3.43 115.31 103.82 1gqg h LEU 5 Ca 0.00 -0.15 -0.52 0.00 0.84 0.00 0.00 57.88 58.05 1gqg h LEU 5 Cb 0.00 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.77 1gqg h LEU 5 CO 0.00 0.90 0.47 -0.63 -0.34 0.00 0.00 178.44 178.84 1gqg s ILE 6 N -5.51 4.08 0.12 4.05 1.01 -1.26 -1.60 121.20 122.08 1gqg s ILE 6 Ca -0.12 1.68 0.04 0.00 0.00 0.00 0.00 60.65 62.25 1gqg s ILE 6 Cb 0.16 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1gqg s ILE 6 CO 0.83 0.23 -0.11 0.68 0.00 0.00 0.00 174.94 176.57 1gqg s VAL 7 N 0.21 1.07 -0.16 2.92 -7.23 -0.33 -4.92 120.40 111.95 1gqg s VAL 7 Ca 0.51 -1.78 0.22 0.00 -1.81 0.00 0.00 61.98 59.13 1gqg s VAL 7 Cb -0.28 -1.53 -0.12 0.00 0.56 0.00 0.00 36.38 35.01 1gqg s VAL 7 CO 0.32 -0.59 0.84 -0.62 -0.31 0.00 0.00 175.10 174.74 1gqg n GLU 8 N 0.33 0.62 -4.04 4.82 -0.58 -1.26 -4.34 120.64 116.19 1gqg n GLU 8 Ca -0.14 0.02 -0.11 0.00 -0.42 0.00 0.00 57.16 56.51 1gqg n GLU 8 Cb 0.58 -1.72 -0.11 0.00 -0.57 0.00 0.00 31.44 29.62 1gqg n GLU 8 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1gqg s ASP 9 N -5.11 0.60 0.30 1.62 1.11 -1.26 -1.17 116.67 112.77 1gqg s ASP 9 Ca -0.03 -0.58 -0.30 0.00 0.18 0.00 0.00 52.55 51.82 1gqg s ASP 9 Cb 0.11 0.07 -0.12 0.00 1.07 0.00 0.00 42.92 44.06 1gqg s ASP 9 CO 0.83 -0.28 1.55 0.00 1.18 0.00 0.00 175.17 178.45 1gqg n ALA 10 N 1.36 2.34 -0.73 5.23 0.00 -1.26 -4.95 120.51 122.51 1gqg n ALA 10 Ca -0.22 0.37 -0.31 0.00 0.00 0.00 0.00 53.44 53.28 1gqg n ALA 10 Cb 0.55 -2.43 0.17 0.00 0.00 0.00 0.00 19.45 17.74 1gqg n ALA 10 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1gqg s PRO 11 N -0.79 0.91 -0.07 0.00 0.02 -1.26 -4.92 135.00 128.88 1gqg s PRO 11 Ca 0.62 1.44 0.10 0.00 0.02 0.00 0.00 61.00 63.18 1gqg s PRO 11 Cb -0.51 -1.72 0.41 0.00 0.02 0.00 0.00 34.50 32.70 1gqg s PRO 11 CO 0.51 -2.67 1.24 -0.40 -0.33 0.00 0.00 177.00 175.35 1gqg n ASP 12 N -4.25 2.98 -3.72 2.53 5.68 -1.26 -3.44 116.55 115.06 1gqg n ASP 12 Ca 0.11 -2.29 -0.07 0.00 -0.50 0.00 0.00 54.79 52.04 1gqg n ASP 12 Cb 0.52 -0.46 -0.01 0.00 -1.14 0.00 0.00 41.12 40.03 1gqg n ASP 12 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 1gqg s HIS 13 N -1.74 -0.14 -0.08 2.11 -3.43 -1.25 -4.72 115.29 106.04 1gqg s HIS 13 Ca 0.29 -0.34 -0.29 0.00 -0.80 0.00 0.00 55.06 53.91 1gqg s HIS 13 Cb 0.19 0.73 -0.02 0.00 -1.43 0.00 0.00 32.58 32.05 1gqg s HIS 13 CO 0.13 -1.27 0.98 0.08 -2.00 0.00 0.00 174.74 172.66 1gqg s VAL 14 N -3.67 4.82 -0.02 -5.38 1.01 -1.24 -4.41 120.40 111.51 1gqg s VAL 14 Ca 0.12 2.01 -0.29 0.00 0.00 0.00 0.00 61.98 63.82 1gqg s VAL 14 Cb -0.06 -4.30 0.10 0.00 0.00 0.00 0.00 36.38 32.13 1gqg s VAL 14 CO 0.07 0.05 0.87 0.00 0.00 0.00 0.00 175.10 176.10 1gqg s ARG 15 N 1.72 0.83 0.32 2.72 1.70 -1.26 -5.07 118.95 119.91 1gqg s ARG 15 Ca 0.48 -0.20 -0.29 0.00 -0.47 0.00 0.00 55.73 55.25 1gqg s ARG 15 Cb -0.19 0.38 -0.11 0.00 -0.57 0.00 0.00 34.95 34.47 1gqg s ARG 15 CO 0.20 -0.34 1.52 -2.14 -1.08 0.00 0.00 175.30 173.46 1gqg s PRO 16 N -2.69 4.15 0.13 3.89 0.02 -1.26 -4.64 135.00 134.60 1gqg s PRO 16 Ca 0.02 2.52 -0.23 0.00 0.02 0.00 0.00 61.00 63.33 1gqg s PRO 16 Cb -0.01 -3.02 0.07 0.00 0.02 0.00 0.00 34.50 31.56 1gqg s PRO 16 CO -0.06 -0.55 0.58 1.52 -0.33 0.00 0.00 177.00 178.17 1gqg s TYR 17 N -0.45 -0.51 -0.06 6.54 1.13 -1.06 -4.89 117.35 118.05 1gqg s TYR 17 Ca 0.58 0.38 0.04 0.00 -1.41 0.00 0.00 57.07 56.67 1gqg s TYR 17 Cb -0.46 0.50 -0.00 0.00 -1.10 0.00 0.00 41.96 40.90 1gqg s TYR 17 CO 0.53 -0.80 -0.20 0.08 -2.51 0.00 0.00 175.55 172.65 1gqg s VAL 18 N -3.40 1.67 -0.13 -3.49 1.01 -0.63 -0.49 120.40 114.95 1gqg s VAL 18 Ca -0.00 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1gqg s VAL 18 Cb -0.01 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.96 1gqg s VAL 18 CO -0.10 0.47 -0.16 -0.51 0.00 0.00 0.00 175.10 174.81 1gqg s ILE 19 N 0.12 1.60 0.53 2.22 2.07 -0.17 -1.19 121.20 126.38 1gqg s ILE 19 Ca -0.08 -0.69 -0.19 0.00 -1.41 0.00 0.00 60.65 58.28 1gqg s ILE 19 Cb -0.14 -1.47 -0.06 0.00 0.13 0.00 0.00 42.46 40.92 1gqg s ILE 19 CO 0.04 0.46 1.10 -0.13 -1.91 0.00 0.00 174.94 174.50 1gqg s ARG 20 N 1.12 3.46 0.15 3.50 1.81 -1.26 -1.23 118.95 126.50 1gqg s ARG 20 Ca -0.03 1.53 -0.34 0.00 -1.72 0.00 0.00 55.73 55.17 1gqg s ARG 20 Cb -0.14 -2.03 -0.15 0.00 -0.45 0.00 0.00 34.95 32.18 1gqg s ARG 20 CO -0.05 -0.74 1.44 1.58 -0.68 0.00 0.00 175.30 176.85 1gqg n HIS 21 N -1.25 1.91 -1.10 -0.53 -0.00 -1.25 -1.42 115.22 111.58 1gqg n HIS 21 Ca 0.11 0.45 -0.03 0.00 0.46 0.00 0.00 57.72 58.71 1gqg n HIS 21 Cb 0.51 -2.44 -0.01 0.00 -0.12 0.00 0.00 29.99 27.93 1gqg n HIS 21 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1gqg n TYR 22 N 2.75 0.00 -0.69 1.57 4.01 -1.26 -4.98 117.16 118.56 1gqg n TYR 22 Ca 0.17 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.61 1gqg n TYR 22 Cb 0.25 -1.15 0.20 0.00 -0.31 0.00 0.00 39.34 38.33 1gqg n TYR 22 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1gqg s SER 23 N -2.40 2.19 0.16 7.72 0.01 -0.51 -4.80 113.70 116.07 1gqg s SER 23 Ca 0.00 1.85 -0.18 0.00 1.31 0.00 0.00 55.95 58.93 1gqg s SER 23 Cb 0.00 -2.43 0.07 0.00 0.21 0.00 0.00 66.02 63.87 1gqg s SER 23 CO 0.00 -3.50 1.67 -0.74 0.41 0.00 0.00 173.24 171.08 1gqg h HIS 24 N -2.14 -0.22 -6.53 2.43 2.76 -1.87 -3.46 115.15 106.11 1gqg h HIS 24 Ca -0.51 0.03 -0.51 0.00 -2.20 0.00 0.00 60.37 57.18 1gqg h HIS 24 Cb 1.30 0.15 -0.09 0.00 1.55 0.00 0.00 27.41 30.32 1gqg h HIS 24 CO 0.40 -0.17 -0.86 0.00 -1.30 0.00 0.00 177.93 176.00 1gqg n ALA 25 N -2.66 -1.76 -3.70 5.26 0.00 -0.31 -1.10 120.51 116.24 1gqg n ALA 25 Ca 0.01 -0.16 -0.28 0.00 0.00 0.00 0.00 53.44 53.01 1gqg n ALA 25 Cb 0.21 -2.26 -0.01 0.00 0.00 0.00 0.00 19.45 17.39 1gqg n ALA 25 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1gqg n ARG 26 N -4.42 -3.49 -1.53 0.00 0.63 -1.26 -0.97 116.66 105.63 1gqg n ARG 26 Ca -0.18 0.44 -0.42 0.00 -0.92 0.00 0.00 57.85 56.76 1gqg n ARG 26 Cb 0.62 -5.17 0.00 0.00 0.45 0.00 0.00 32.46 28.37 1gqg n ARG 26 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1gqg n ALA 27 N -3.90 -0.80 -2.34 5.13 0.00 -0.26 -4.74 120.51 113.61 1gqg n ALA 27 Ca 0.03 0.24 -0.09 0.00 0.00 0.00 0.00 53.44 53.61 1gqg n ALA 27 Cb 0.52 -1.91 -0.10 0.00 0.00 0.00 0.00 19.45 17.96 1gqg n ALA 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1gqg s VAL 28 N -1.31 0.42 -0.01 0.00 -7.23 -0.91 -1.68 120.40 109.68 1gqg s VAL 28 Ca 0.63 -1.64 0.04 0.00 -1.81 0.00 0.00 61.98 59.19 1gqg s VAL 28 Cb -0.62 -1.30 -0.03 0.00 0.56 0.00 0.00 36.38 34.99 1gqg s VAL 28 CO 0.58 -0.81 -0.11 0.42 -0.31 0.00 0.00 175.10 174.87 1gqg s THR 29 N -3.16 3.33 -0.30 5.32 -4.23 -0.11 -0.75 115.64 115.76 1gqg s THR 29 Ca 0.04 -0.81 0.01 0.00 -1.18 0.00 0.00 61.69 59.75 1gqg s THR 29 Cb 0.02 -2.40 0.09 0.00 1.34 0.00 0.00 72.50 71.55 1gqg s THR 29 CO -0.06 0.45 0.03 -0.69 -0.54 0.00 0.00 174.62 173.82 1gqg s VAL 30 N -0.90 1.61 0.00 2.29 1.01 0.17 -1.06 120.40 123.53 1gqg s VAL 30 Ca 0.15 -1.70 0.00 0.00 0.00 0.00 0.00 61.98 60.43 1gqg s VAL 30 Cb -0.11 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.18 1gqg s VAL 30 CO 0.05 -0.46 0.00 0.47 0.00 0.00 0.00 175.10 175.15 1gqg n ASP 31 N 4.57 0.00 -0.05 3.32 8.00 -1.26 -1.17 116.55 129.95 1gqg n ASP 31 Ca -0.03 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.60 1gqg n ASP 31 Cb 0.43 0.00 0.49 0.00 -0.02 0.00 0.00 41.12 42.01 1gqg n ASP 31 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1gqg n THR 32 N 0.00 0.00 -3.04 -3.53 -2.24 -1.26 -4.87 114.28 99.34 1gqg n THR 32 Ca 0.00 -0.03 -0.40 0.00 -2.27 0.00 0.00 64.05 61.36 1gqg n THR 32 Cb 0.00 -0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.10 1gqg n THR 32 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1gqg s GLN 33 N -2.79 4.46 -0.20 -0.78 -0.21 -0.32 -4.52 119.66 115.31 1gqg s GLN 33 Ca 0.19 1.01 -0.03 0.00 0.02 0.00 0.00 55.36 56.54 1gqg s GLN 33 Cb 0.19 -3.33 -0.01 0.00 1.00 0.00 0.00 33.01 30.85 1gqg s GLN 33 CO 0.56 0.37 -0.05 -1.17 -2.12 0.00 0.00 175.29 172.89 1gqg s LEU 34 N -0.34 2.95 -0.15 2.90 0.20 -0.28 -0.65 118.68 123.31 1gqg s LEU 34 Ca 0.36 -0.33 -0.05 0.00 0.69 0.00 0.00 54.13 54.80 1gqg s LEU 34 Cb -0.21 -1.74 -0.03 0.00 -0.43 0.00 0.00 46.19 43.78 1gqg s LEU 34 CO 0.22 0.03 0.02 -0.31 -0.29 0.00 0.00 176.35 176.02 1gqg s TYR 35 N 1.16 3.16 -0.07 5.38 1.51 0.07 -1.02 117.35 127.55 1gqg s TYR 35 Ca 0.02 -0.03 0.05 0.00 -1.01 0.00 0.00 57.07 56.11 1gqg s TYR 35 Cb -0.14 -1.97 -0.01 0.00 -0.11 0.00 0.00 41.96 39.73 1gqg s TYR 35 CO -0.01 0.17 -0.23 1.03 -1.11 0.00 0.00 175.55 175.39 1gqg s ARG 36 N 0.07 2.55 -0.84 -0.62 0.52 0.68 -2.15 118.95 119.16 1gqg s ARG 36 Ca 0.03 -0.85 -0.09 0.00 -0.52 0.00 0.00 55.73 54.30 1gqg s ARG 36 Cb -0.13 -2.09 0.22 0.00 0.52 0.00 0.00 34.95 33.46 1gqg s ARG 36 CO 0.02 0.31 0.75 -0.06 0.02 0.00 0.00 175.30 176.33 1gqg s PHE 37 N 0.01 3.78 0.17 -0.53 0.08 -0.14 -1.02 117.98 120.31 1gqg s PHE 37 Ca -0.08 -2.42 -0.07 0.00 0.12 0.00 0.00 56.93 54.48 1gqg s PHE 37 Cb -0.15 -3.60 0.03 0.00 -0.57 0.00 0.00 43.02 38.74 1gqg s PHE 37 CO 0.05 -0.92 1.49 1.88 -0.10 0.00 0.00 175.22 177.63 1gqg h TYR 38 N 7.19 0.95 -3.57 0.36 0.05 -1.57 -3.38 116.97 116.99 1gqg h TYR 38 Ca 0.10 -0.30 -0.50 0.00 0.05 0.00 0.00 58.73 58.07 1gqg h TYR 38 Cb 0.96 -0.19 -0.33 0.00 1.01 0.00 0.00 36.73 38.18 1gqg h TYR 38 CO 0.88 1.08 -0.81 0.08 -1.05 0.00 0.00 178.16 178.34 1gqg s VAL 39 N -4.24 1.09 0.49 -2.88 1.01 -0.64 -4.55 120.40 110.69 1gqg s VAL 39 Ca -0.09 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1gqg s VAL 39 Cb 0.11 -0.99 -0.00 0.00 0.00 0.00 0.00 36.38 35.50 1gqg s VAL 39 CO 0.86 0.34 0.01 0.35 0.00 0.00 0.00 175.10 176.66 1gqg n THR 40 N 3.62 0.00 0.40 3.92 -2.24 -1.26 -1.39 114.28 117.32 1gqg n THR 40 Ca -0.21 -2.33 -0.18 0.00 -2.27 0.00 0.00 64.05 59.05 1gqg n THR 40 Cb 0.52 0.49 -0.09 0.00 -2.10 0.00 0.00 70.33 69.15 1gqg n THR 40 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1gqg h GLY 41 N 1.21 -1.03 0.58 3.38 0.00 -1.86 -1.16 103.07 104.18 1gqg h GLY 41 Ca -0.40 0.38 0.08 0.00 0.00 0.00 0.00 47.33 47.39 1gqg h GLY 41 CO 0.67 -0.38 0.38 -2.55 0.00 0.00 0.00 176.54 174.66 1gqg h PRO 42 N -1.00 0.65 0.00 4.80 0.11 -1.89 0.49 132.00 135.15 1gqg h PRO 42 Ca -0.10 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.94 1gqg h PRO 42 Cb 0.76 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.72 1gqg h PRO 42 CO 0.17 0.43 -0.12 0.66 -0.21 0.00 0.00 178.00 178.92 1gqg h SER 43 N 0.67 0.00 -0.26 -2.05 4.64 -1.56 -3.14 113.55 111.85 1gqg h SER 43 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1gqg h SER 43 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1gqg h SER 43 CO -0.22 0.12 0.00 -1.54 -0.87 0.00 0.00 176.83 174.32 1gqg n SER 44 N -3.27 2.66 -2.25 4.97 3.41 -0.45 -4.28 113.62 114.40 1gqg n SER 44 Ca 0.00 -1.87 -0.17 0.00 -0.26 0.00 0.00 58.87 56.56 1gqg n SER 44 Cb 0.37 -0.17 0.02 0.00 -0.26 0.00 0.00 64.21 64.16 1gqg n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gqg n GLY 45 N 0.50 -0.30 2.39 5.00 0.00 -0.37 -2.72 105.19 109.70 1gqg n GLY 45 Ca 0.10 -0.10 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1gqg n GLY 45 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gqg n TYR 46 N -4.17 0.00 -0.05 1.61 4.01 0.16 -4.91 117.16 113.81 1gqg n TYR 46 Ca -0.13 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.47 1gqg n TYR 46 Cb 0.62 -1.53 -0.08 0.00 -0.31 0.00 0.00 39.34 38.04 1gqg n TYR 46 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1gqg h ALA 47 N 0.00 0.17 -2.45 -0.72 0.00 -1.76 -1.10 119.26 113.41 1gqg h ALA 47 Ca -0.12 -0.34 0.13 0.00 0.00 0.00 0.00 54.91 54.59 1gqg h ALA 47 Cb 0.60 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.25 1gqg h ALA 47 CO 0.17 0.06 0.44 -0.59 0.00 0.00 0.00 179.25 179.33 1gqg s PHE 48 N -4.16 -0.24 -0.04 0.00 -0.12 -1.26 -3.10 117.98 109.06 1gqg s PHE 48 Ca -0.14 -0.01 0.05 0.00 -0.05 0.00 0.00 56.93 56.78 1gqg s PHE 48 Cb 0.04 0.61 -0.02 0.00 -0.63 0.00 0.00 43.02 43.02 1gqg s PHE 48 CO 0.75 -0.78 -0.20 0.99 -0.05 0.00 0.00 175.22 175.93 1gqg s THR 49 N -3.34 2.58 -0.17 -4.49 2.01 0.06 -4.34 115.64 107.95 1gqg s THR 49 Ca 0.09 -0.90 -0.01 0.00 0.31 0.00 0.00 61.69 61.18 1gqg s THR 49 Cb -0.02 -1.97 0.04 0.00 0.01 0.00 0.00 72.50 70.57 1gqg s THR 49 CO -0.02 0.58 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.23 1gqg s LEU 50 N -0.57 1.57 0.12 4.42 0.20 -0.49 -1.28 118.68 122.65 1gqg s LEU 50 Ca 0.08 -0.69 0.07 0.00 0.69 0.00 0.00 54.13 54.28 1gqg s LEU 50 Cb -0.11 -0.86 -0.04 0.00 -0.43 0.00 0.00 46.19 44.75 1gqg s LEU 50 CO 0.01 -0.20 -0.16 0.00 -0.29 0.00 0.00 176.35 175.71 1gqg s MET 51 N 1.66 1.06 -0.11 1.98 0.23 0.02 -1.58 119.30 122.58 1gqg s MET 51 Ca 0.00 -1.24 0.01 0.00 -1.03 0.00 0.00 55.69 53.44 1gqg s MET 51 Cb -0.16 -1.02 -0.02 0.00 -1.53 0.00 0.00 34.83 32.10 1gqg s MET 51 CO -0.07 0.21 -0.14 0.20 -2.03 0.00 0.00 175.02 173.19 1gqg s GLY 52 N -2.37 1.53 -0.18 3.16 0.00 -0.19 0.10 107.32 109.37 1gqg s GLY 52 Ca 0.09 -0.92 0.01 0.00 0.00 0.00 0.00 44.72 43.90 1gqg s GLY 52 CO 0.04 -0.37 -0.15 -1.59 0.00 0.00 0.00 173.10 171.03 1gqg s THR 53 N 0.02 1.78 -0.10 0.90 2.01 0.11 -0.23 115.64 120.13 1gqg s THR 53 Ca -0.04 -0.90 -0.01 0.00 0.31 0.00 0.00 61.69 61.04 1gqg s THR 53 Cb -0.14 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 1gqg s THR 53 CO 0.04 0.37 -0.04 0.20 -0.69 0.00 0.00 174.62 174.50 1gqg s ASN 54 N 1.37 4.83 0.06 3.53 -0.87 -0.18 -0.41 114.94 123.27 1gqg s ASN 54 Ca 0.02 -0.02 -0.26 0.00 -1.57 0.00 0.00 52.86 51.03 1gqg s ASN 54 Cb -0.14 -1.45 0.08 0.00 -0.02 0.00 0.00 41.25 39.72 1gqg s ASN 54 CO -0.10 0.30 0.68 0.00 -2.57 0.00 0.00 177.10 175.40 1gqg s ALA 55 N -0.43 -1.69 0.70 0.60 0.00 -0.77 -1.12 121.76 119.04 1gqg s ALA 55 Ca 0.07 0.86 -0.04 0.00 0.00 0.00 0.00 51.96 52.84 1gqg s ALA 55 Cb -0.12 0.49 0.08 0.00 0.00 0.00 0.00 23.12 23.57 1gqg s ALA 55 CO 0.02 -0.62 0.98 -1.25 0.00 0.00 0.00 175.76 174.90 1gqg s PRO 56 N -2.77 2.01 0.43 0.00 0.04 -1.26 -2.91 135.00 130.55 1gqg s PRO 56 Ca -0.02 -0.58 -0.24 0.00 0.04 0.00 0.00 61.00 60.20 1gqg s PRO 56 Cb -0.01 -2.25 -0.10 0.00 0.04 0.00 0.00 34.50 32.19 1gqg s PRO 56 CO -0.05 -1.28 1.03 1.58 0.04 0.00 0.00 177.00 178.32 1gqg n HIS 57 N -2.85 1.23 -4.05 0.56 -0.00 -1.21 -4.75 115.22 104.14 1gqg n HIS 57 Ca 0.10 0.55 -0.13 0.00 -0.00 0.00 0.00 57.72 58.23 1gqg n HIS 57 Cb 0.60 -2.24 -0.13 0.00 -0.00 0.00 0.00 29.99 28.23 1gqg n HIS 57 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1gqg s SER 58 N -0.75 0.51 0.00 0.26 0.15 -0.66 -5.00 113.70 108.22 1gqg s SER 58 Ca 0.64 -0.25 0.28 0.00 0.70 0.00 0.00 55.95 57.31 1gqg s SER 58 Cb -0.55 -0.01 1.06 0.00 -1.71 0.00 0.00 66.02 64.82 1gqg s SER 58 CO 0.56 -0.07 1.75 0.47 1.20 0.00 0.00 173.24 177.16 1gqg n ASP 59 N 2.40 1.40 -4.53 5.45 8.00 -1.26 -4.65 116.55 123.36 1gqg n ASP 59 Ca -0.17 -1.43 -0.24 0.00 0.71 0.00 0.00 54.79 53.67 1gqg n ASP 59 Cb 0.57 0.01 -0.09 0.00 -0.02 0.00 0.00 41.12 41.59 1gqg n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gqg s ALA 60 N -2.04 2.90 0.55 2.24 0.00 -1.26 -5.11 121.76 119.04 1gqg s ALA 60 Ca 0.37 -1.79 -0.21 0.00 0.00 0.00 0.00 51.96 50.33 1gqg s ALA 60 Cb 0.21 -0.45 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 1gqg s ALA 60 CO 0.35 0.28 1.23 1.28 0.00 0.00 0.00 175.76 178.90 1gqg n LEU 61 N -0.71 4.80 0.01 0.00 4.77 -1.26 -4.65 117.00 119.96 1gqg n LEU 61 Ca -0.06 0.95 0.14 0.00 -0.03 0.00 0.00 56.01 57.01 1gqg n LEU 61 Cb 0.60 -1.51 0.58 0.00 -2.33 0.00 0.00 43.42 40.75 1gqg n LEU 61 CO 0.39 -0.97 0.92 0.61 -1.33 0.00 0.00 177.39 177.01 1gqg n GLY 62 N 0.92 -1.50 3.57 -0.72 0.00 0.88 -4.85 105.19 103.49 1gqg n GLY 62 Ca 0.11 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1gqg n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gqg s VAL 63 N -3.01 0.00 0.30 1.61 0.11 -1.26 -4.98 120.40 113.18 1gqg s VAL 63 Ca 0.14 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.90 1gqg s VAL 63 Cb 0.18 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.94 1gqg s VAL 63 CO 0.55 0.00 1.16 -0.76 -3.33 0.00 0.00 175.10 172.71 1gqg s LEU 64 N -0.90 4.48 0.25 2.54 1.43 -1.26 -4.58 118.68 120.65 1gqg s LEU 64 Ca -0.04 2.38 -0.30 0.00 -1.03 0.00 0.00 54.13 55.14 1gqg s LEU 64 Cb -0.01 -3.68 -0.14 0.00 0.03 0.00 0.00 46.19 42.40 1gqg s LEU 64 CO 0.03 -0.29 1.24 -2.65 0.23 0.00 0.00 176.35 174.91 1gqg n PRO 65 N 0.98 1.69 -3.88 1.29 -0.02 -1.26 -4.90 135.00 128.89 1gqg n PRO 65 Ca -0.00 0.60 -0.08 0.00 -2.02 0.00 0.00 63.50 61.99 1gqg n PRO 65 Cb 0.44 -2.14 -0.02 0.00 -0.02 0.00 0.00 33.50 31.77 1gqg n PRO 65 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1gqg s HIS 66 N -0.50 0.01 0.10 6.00 -3.43 -0.94 -1.48 115.29 115.05 1gqg s HIS 66 Ca 0.65 -0.49 0.08 0.00 -0.80 0.00 0.00 55.06 54.50 1gqg s HIS 66 Cb -0.69 0.62 -0.03 0.00 -1.43 0.00 0.00 32.58 31.04 1gqg s HIS 66 CO 0.55 -1.26 -0.20 0.42 -2.00 0.00 0.00 174.74 172.24 1gqg s ILE 67 N -3.58 1.66 -0.16 -5.38 1.01 0.36 -1.57 121.20 113.53 1gqg s ILE 67 Ca 0.15 -1.51 -0.01 0.00 0.00 0.00 0.00 60.65 59.28 1gqg s ILE 67 Cb -0.05 -1.51 -0.01 0.00 0.01 0.00 0.00 42.46 40.90 1gqg s ILE 67 CO 0.09 -0.06 -0.13 -1.00 0.00 0.00 0.00 174.94 173.84 1gqg s HIS 68 N -1.16 2.83 -0.27 3.97 3.76 -1.26 -0.94 115.29 122.22 1gqg s HIS 68 Ca 0.06 -0.93 0.21 0.00 -0.15 0.00 0.00 55.06 54.25 1gqg s HIS 68 Cb -0.10 -1.92 0.09 0.00 1.11 0.00 0.00 32.58 31.76 1gqg s HIS 68 CO 0.04 -0.42 1.22 1.96 -0.85 0.00 0.00 174.74 176.69 1gqg h GLN 69 N 7.31 0.00 0.00 1.40 4.20 -1.95 -0.25 115.11 125.82 1gqg h GLN 69 Ca -0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.38 1gqg h GLN 69 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 1gqg h GLN 69 CO 0.58 0.10 0.00 1.63 -0.67 0.00 0.00 178.83 180.47 1gqg n LYS 70 N -2.90 1.05 -4.35 1.46 5.02 -1.26 -4.60 118.16 112.59 1gqg n LYS 70 Ca -0.00 -0.89 -0.23 0.00 -2.02 0.00 0.00 58.31 55.16 1gqg n LYS 70 Cb 0.61 -0.86 -0.13 0.00 -0.02 0.00 0.00 35.03 34.63 1gqg n LYS 70 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1gqg s HIS 71 N -0.44 1.70 -0.18 2.13 3.76 -1.26 -4.44 115.29 116.56 1gqg s HIS 71 Ca 0.00 -0.41 -0.02 0.00 -0.15 0.00 0.00 55.06 54.48 1gqg s HIS 71 Cb 0.00 -0.96 -0.01 0.00 1.11 0.00 0.00 32.58 32.72 1gqg s HIS 71 CO 0.00 0.16 -0.08 -0.47 -0.85 0.00 0.00 174.74 173.50 1gqg s TYR 72 N -1.08 2.91 0.09 1.40 6.14 -0.03 -3.75 117.35 123.03 1gqg s TYR 72 Ca 0.05 -0.79 0.06 0.00 0.64 0.00 0.00 57.07 57.03 1gqg s TYR 72 Cb -0.10 -1.99 -0.04 0.00 0.42 0.00 0.00 41.96 40.25 1gqg s TYR 72 CO 0.03 -0.38 -0.04 -1.21 0.64 0.00 0.00 175.55 174.59 1gqg s GLU 73 N 0.95 2.39 -0.08 4.97 8.01 -0.43 -1.44 118.70 133.07 1gqg s GLU 73 Ca -0.01 -0.90 0.01 0.00 0.01 0.00 0.00 54.97 54.08 1gqg s GLU 73 Cb -0.15 -2.45 0.02 0.00 -4.31 0.00 0.00 34.13 27.24 1gqg s GLU 73 CO 0.00 0.53 -0.11 -0.80 0.01 0.00 0.00 175.26 174.90 1gqg s ASN 74 N -2.24 1.92 -0.22 -0.19 0.01 0.22 -0.84 114.94 113.61 1gqg s ASN 74 Ca 0.24 -0.30 -0.07 0.00 -0.71 0.00 0.00 52.86 52.02 1gqg s ASN 74 Cb -0.11 -0.83 -0.03 0.00 0.41 0.00 0.00 41.25 40.68 1gqg s ASN 74 CO 0.16 -0.02 0.05 -0.36 -1.51 0.00 0.00 177.10 175.42 1gqg s PHE 75 N 1.06 3.13 -0.07 2.20 0.40 0.38 -1.57 117.98 123.51 1gqg s PHE 75 Ca -0.07 -0.24 0.02 0.00 -0.60 0.00 0.00 56.93 56.04 1gqg s PHE 75 Cb -0.15 -2.15 0.01 0.00 0.51 0.00 0.00 43.02 41.25 1gqg s PHE 75 CO -0.01 -0.15 -0.12 -0.47 0.70 0.00 0.00 175.22 175.17 1gqg s TYR 76 N 1.06 1.44 -0.39 0.36 5.04 -0.29 -0.69 117.35 123.87 1gqg s TYR 76 Ca 0.04 -0.53 -0.20 0.00 -2.44 0.00 0.00 57.07 53.93 1gqg s TYR 76 Cb -0.14 -1.06 0.01 0.00 0.35 0.00 0.00 41.96 41.12 1gqg s TYR 76 CO 0.03 -0.28 0.60 0.00 -1.34 0.00 0.00 175.55 174.56 1gqg h ASN 78 N 8.66 0.85 -5.03 0.00 4.21 -1.37 0.20 115.58 123.10 1gqg h ASN 78 Ca -0.26 -0.71 0.10 0.00 1.21 0.00 0.00 56.30 56.63 1gqg h ASN 78 Cb 1.11 -0.26 -0.10 0.00 -1.12 0.00 0.00 38.32 37.95 1gqg h ASN 78 CO 0.84 1.44 0.37 -1.59 -1.29 0.00 0.00 177.43 177.21 1gqg s LYS 79 N -3.42 1.27 3.77 0.81 -2.85 -1.20 -4.50 119.74 113.62 1gqg s LYS 79 Ca -0.11 -0.62 0.00 0.00 -1.00 0.00 0.00 55.97 54.24 1gqg s LYS 79 Cb 0.07 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.32 1gqg s LYS 79 CO 0.90 -0.57 0.00 0.41 0.10 0.00 0.00 175.35 176.18 1gqg n GLY 80 N -0.40 0.35 3.56 0.59 0.00 -1.19 -1.32 105.19 106.77 1gqg n GLY 80 Ca -0.08 -0.92 -0.15 0.00 0.00 0.00 0.00 46.02 44.86 1gqg n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gqg s SER 81 N -4.00 -0.57 -0.02 1.61 1.04 -1.26 -3.62 113.70 106.88 1gqg s SER 81 Ca 0.00 0.71 -0.12 0.00 0.48 0.00 0.00 55.95 57.02 1gqg s SER 81 Cb 0.00 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.72 1gqg s SER 81 CO 0.00 -0.46 0.25 0.72 0.98 0.00 0.00 173.24 174.72 1gqg s PHE 82 N -0.91 -0.12 0.09 5.02 -0.12 -0.66 -0.76 117.98 120.52 1gqg s PHE 82 Ca -0.06 0.17 -0.15 0.00 -0.05 0.00 0.00 56.93 56.84 1gqg s PHE 82 Cb -0.01 0.05 -0.06 0.00 -0.63 0.00 0.00 43.02 42.36 1gqg s PHE 82 CO 0.06 -0.33 0.51 -1.14 -0.05 0.00 0.00 175.22 174.26 1gqg s GLN 83 N -1.20 4.00 -0.04 1.99 0.74 0.08 -0.44 119.66 124.79 1gqg s GLN 83 Ca -0.13 0.50 0.04 0.00 0.05 0.00 0.00 55.36 55.82 1gqg s GLN 83 Cb -0.06 -3.08 0.00 0.00 1.10 0.00 0.00 33.01 30.98 1gqg s GLN 83 CO 0.03 0.57 -0.15 -1.17 -0.55 0.00 0.00 175.29 174.02 1gqg s LEU 84 N -1.56 1.86 0.01 3.68 2.96 -0.16 -1.04 118.68 124.43 1gqg s LEU 84 Ca 0.32 -0.31 0.08 0.00 -0.22 0.00 0.00 54.13 54.00 1gqg s LEU 84 Cb -0.16 -0.86 -0.03 0.00 0.50 0.00 0.00 46.19 45.64 1gqg s LEU 84 CO 0.18 0.12 -0.24 0.26 -1.32 0.00 0.00 176.35 175.34 1gqg s TRP 85 N 0.15 2.38 -0.12 5.38 0.51 -0.57 -1.60 118.94 125.08 1gqg s TRP 85 Ca -0.05 -0.39 -0.16 0.00 -2.12 0.00 0.00 56.10 53.39 1gqg s TRP 85 Cb -0.11 -1.46 0.04 0.00 -0.81 0.00 0.00 33.47 31.13 1gqg s TRP 85 CO 0.02 0.08 0.41 0.00 -0.51 0.00 0.00 176.95 176.96 1gqg s ALA 86 N -0.74 -1.03 -0.13 0.98 0.00 0.02 -2.51 121.76 118.36 1gqg s ALA 86 Ca 0.11 0.99 -0.08 0.00 0.00 0.00 0.00 51.96 52.99 1gqg s ALA 86 Cb -0.10 -0.46 0.05 0.00 0.00 0.00 0.00 23.12 22.60 1gqg s ALA 86 CO 0.01 -0.22 0.31 -1.14 0.00 0.00 0.00 175.76 174.72 1gqg s GLN 87 N -0.24 0.30 -0.32 0.00 0.74 0.01 -0.88 119.66 119.27 1gqg s GLN 87 Ca -0.04 0.60 -0.11 0.00 0.05 0.00 0.00 55.36 55.87 1gqg s GLN 87 Cb -0.03 -0.04 -0.01 0.00 1.10 0.00 0.00 33.01 34.02 1gqg s GLN 87 CO 0.02 -0.14 0.18 0.45 -0.55 0.00 0.00 175.29 175.25 1gqg s SER 88 N 1.13 5.73 1.14 6.67 0.15 -1.26 -0.65 113.70 126.60 1gqg s SER 88 Ca -0.08 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1gqg s SER 88 Cb -0.08 -2.05 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 1gqg s SER 88 CO -0.09 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1gqg n GLY 89 N 5.02 3.28 1.36 9.45 0.00 -1.26 -1.06 105.19 121.98 1gqg n GLY 89 Ca -0.13 0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.07 1gqg n GLY 89 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1gqg n ASN 90 N 4.51 3.99 -4.76 1.61 2.04 -1.26 -4.95 115.26 116.44 1gqg n ASN 90 Ca 0.00 -2.18 -0.32 0.00 -0.44 0.00 0.00 54.58 51.64 1gqg n ASN 90 Cb 0.00 -0.50 0.08 0.00 -2.53 0.00 0.00 39.78 36.83 1gqg n ASN 90 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 1gqg s GLU 91 N -1.41 2.37 0.19 -3.83 2.02 -0.22 -4.91 118.70 112.92 1gqg s GLU 91 Ca 0.46 1.35 -0.33 0.00 0.02 0.00 0.00 54.97 56.48 1gqg s GLU 91 Cb 0.27 -1.90 -0.14 0.00 0.10 0.00 0.00 34.13 32.45 1gqg s GLU 91 CO 0.28 -1.58 1.41 2.41 0.02 0.00 0.00 175.26 177.79 1gqg n THR 92 N -3.03 0.58 -2.30 3.63 -1.04 -1.26 -4.61 114.28 106.24 1gqg n THR 92 Ca 0.10 -0.15 -0.42 0.00 -2.04 0.00 0.00 64.05 61.55 1gqg n THR 92 Cb 0.52 -1.32 -0.03 0.00 -1.82 0.00 0.00 70.33 67.68 1gqg n THR 92 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1gqg s GLN 93 N 0.04 4.40 0.06 -2.82 0.74 -1.26 -4.76 119.66 116.06 1gqg s GLN 93 Ca 0.74 1.92 0.05 0.00 0.05 0.00 0.00 55.36 58.11 1gqg s GLN 93 Cb -0.72 -3.28 -0.04 0.00 1.10 0.00 0.00 33.01 30.07 1gqg s GLN 93 CO 0.47 -0.30 -0.05 -0.65 -0.55 0.00 0.00 175.29 174.21 1gqg s GLN 94 N 0.77 2.46 -0.03 1.67 -1.52 -0.06 -4.35 119.66 118.60 1gqg s GLN 94 Ca 0.60 -0.83 -0.07 0.00 -1.95 0.00 0.00 55.36 53.10 1gqg s GLN 94 Cb -0.33 -2.48 0.01 0.00 -0.22 0.00 0.00 33.01 29.99 1gqg s GLN 94 CO 0.32 0.56 0.17 -0.08 -0.25 0.00 0.00 175.29 176.00 1gqg s THR 95 N -1.17 0.05 0.00 -0.19 -1.32 -0.46 -0.80 115.64 111.76 1gqg s THR 95 Ca 0.21 -0.41 -0.02 0.00 -1.21 0.00 0.00 61.69 60.26 1gqg s THR 95 Cb -0.11 -0.38 -0.01 0.00 -1.51 0.00 0.00 72.50 70.49 1gqg s THR 95 CO 0.13 -0.23 0.04 -0.13 -2.21 0.00 0.00 174.62 172.22 1gqg s ARG 96 N -0.81 0.26 -0.39 7.08 1.81 -0.63 -2.29 118.95 123.98 1gqg s ARG 96 Ca -0.09 -0.32 -0.16 0.00 -1.72 0.00 0.00 55.73 53.44 1gqg s ARG 96 Cb -0.05 0.10 0.01 0.00 -0.45 0.00 0.00 34.95 34.56 1gqg s ARG 96 CO 0.01 -0.05 0.38 0.08 -0.68 0.00 0.00 175.30 175.05 1gqg s VAL 97 N -0.91 5.15 -0.04 3.52 1.01 0.12 -0.99 120.40 128.27 1gqg s VAL 97 Ca -0.10 -0.30 -0.22 0.00 0.00 0.00 0.00 61.98 61.36 1gqg s VAL 97 Cb -0.06 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1gqg s VAL 97 CO -0.00 -0.30 0.64 -0.76 0.00 0.00 0.00 175.10 174.68 1gqg s LEU 98 N 2.00 4.36 0.00 3.92 1.02 0.42 -4.93 118.68 125.47 1gqg s LEU 98 Ca 0.10 1.15 0.01 0.00 0.02 0.00 0.00 54.13 55.41 1gqg s LEU 98 Cb -0.17 -2.98 0.01 0.00 0.02 0.00 0.00 46.19 43.07 1gqg s LEU 98 CO 0.12 -0.01 0.09 -1.54 0.02 0.00 0.00 176.35 175.03 1gqg n SER 99 N 3.30 2.23 -4.66 2.29 3.41 -1.26 -1.65 113.62 117.27 1gqg n SER 99 Ca -0.04 -1.93 -0.52 0.00 -0.26 0.00 0.00 58.87 56.12 1gqg n SER 99 Cb 0.51 0.07 -0.06 0.00 -0.26 0.00 0.00 64.21 64.48 1gqg n SER 99 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1gqg n SER 100 N -1.52 2.51 0.00 4.04 2.88 -1.24 -1.18 113.62 119.11 1gqg n SER 100 Ca -0.05 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 1gqg n SER 100 Cb 0.29 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 1gqg n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1gqg n GLY 101 N 3.53 1.34 3.85 0.46 0.00 0.70 -4.77 105.19 110.31 1gqg n GLY 101 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1gqg n GLY 101 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gqg s ASP 102 N -3.06 6.12 -0.01 1.61 1.01 -0.32 -3.93 116.67 118.09 1gqg s ASP 102 Ca 0.00 1.50 0.01 0.00 0.71 0.00 0.00 52.55 54.77 1gqg s ASP 102 Cb 0.00 -2.48 0.00 0.00 1.01 0.00 0.00 42.92 41.45 1gqg s ASP 102 CO 0.00 -0.94 -0.02 -0.47 0.21 0.00 0.00 175.17 173.95 1gqg s TYR 103 N -3.02 0.23 -0.05 4.23 5.04 -0.30 -1.43 117.35 122.05 1gqg s TYR 103 Ca 0.57 -0.03 0.02 0.00 -2.44 0.00 0.00 57.07 55.19 1gqg s TYR 103 Cb -0.12 -0.18 0.01 0.00 0.35 0.00 0.00 41.96 42.02 1gqg s TYR 103 CO 0.49 -0.03 -0.11 0.20 -1.34 0.00 0.00 175.55 174.77 1gqg s GLY 104 N 0.14 0.69 -0.17 8.97 0.00 0.14 -0.83 107.32 116.26 1gqg s GLY 104 Ca -0.01 -0.37 -0.03 0.00 0.00 0.00 0.00 44.72 44.31 1gqg s GLY 104 CO -0.00 0.05 -0.05 -0.45 0.00 0.00 0.00 173.10 172.65 1gqg s SER 105 N 0.50 4.59 -0.48 1.64 0.15 0.43 -0.47 113.70 120.06 1gqg s SER 105 Ca -0.10 -0.21 0.03 0.00 0.70 0.00 0.00 55.95 56.37 1gqg s SER 105 Cb -0.13 -1.75 0.14 0.00 -1.71 0.00 0.00 66.02 62.57 1gqg s SER 105 CO 0.02 0.13 0.28 -0.69 1.20 0.00 0.00 173.24 174.18 1gqg s VAL 106 N 0.61 1.55 1.28 4.45 1.01 -0.02 -2.84 120.40 126.44 1gqg s VAL 106 Ca -0.03 -2.83 -0.16 0.00 0.00 0.00 0.00 61.98 58.96 1gqg s VAL 106 Cb -0.15 -2.07 0.33 0.00 0.00 0.00 0.00 36.38 34.49 1gqg s VAL 106 CO 0.03 -0.94 0.98 -2.65 0.00 0.00 0.00 175.10 172.51 1gqg n PRO 107 N 3.24 -3.24 -1.70 2.72 -0.02 -1.26 -1.31 135.00 133.42 1gqg n PRO 107 Ca 0.12 -0.93 -0.39 0.00 -2.02 0.00 0.00 63.50 60.28 1gqg n PRO 107 Cb 0.36 -2.10 0.04 0.00 -0.02 0.00 0.00 33.50 31.78 1gqg n PRO 107 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1gqg n ARG 108 N -5.27 1.48 -2.68 -0.52 1.74 -1.25 -3.11 116.66 107.06 1gqg n ARG 108 Ca 0.05 0.55 -0.16 0.00 -0.77 0.00 0.00 57.85 57.52 1gqg n ARG 108 Cb 0.56 -2.44 0.02 0.00 -1.02 0.00 0.00 32.46 29.57 1gqg n ARG 108 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1gqg n ASN 109 N -0.85 -4.71 -4.13 0.55 3.02 -0.11 -4.88 115.26 104.16 1gqg n ASN 109 Ca 0.11 -0.16 -0.33 0.00 -0.03 0.00 0.00 54.58 54.17 1gqg n ASN 109 Cb 0.45 -3.64 -0.16 0.00 -0.61 0.00 0.00 39.78 35.82 1gqg n ASN 109 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1gqg s VAL 110 N -2.93 2.08 0.25 2.41 1.01 -1.18 -4.46 120.40 117.58 1gqg s VAL 110 Ca 0.17 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 1gqg s VAL 110 Cb -0.07 -1.86 -0.10 0.00 0.00 0.00 0.00 36.38 34.35 1gqg s VAL 110 CO 0.21 0.54 1.39 -0.89 0.00 0.00 0.00 175.10 176.34 1gqg s THR 111 N 1.23 2.80 0.15 3.92 2.01 0.17 -4.55 115.64 121.37 1gqg s THR 111 Ca 0.04 0.68 -0.16 0.00 0.31 0.00 0.00 61.69 62.56 1gqg s THR 111 Cb -0.13 -3.44 0.03 0.00 0.01 0.00 0.00 72.50 68.97 1gqg s THR 111 CO -0.12 0.12 0.43 -1.38 -0.69 0.00 0.00 174.62 172.98 1gqg s HIS 112 N -0.15 -0.15 0.27 4.92 -3.43 -0.61 -0.81 115.29 115.34 1gqg s HIS 112 Ca 0.57 -0.18 -0.21 0.00 -0.80 0.00 0.00 55.06 54.44 1gqg s HIS 112 Cb -0.40 0.28 0.03 0.00 -1.43 0.00 0.00 32.58 31.06 1gqg s HIS 112 CO 0.43 -0.77 0.77 -0.08 -2.00 0.00 0.00 174.74 173.10 1gqg s THR 113 N -3.83 0.00 0.19 -5.38 -1.32 -1.04 -2.22 115.64 102.03 1gqg s THR 113 Ca 0.06 -0.94 -0.04 0.00 -1.21 0.00 0.00 61.69 59.55 1gqg s THR 113 Cb 0.01 -2.10 -0.03 0.00 -1.51 0.00 0.00 72.50 68.88 1gqg s THR 113 CO -0.09 0.00 0.20 0.72 -2.21 0.00 0.00 174.62 173.24 1gqg s PHE 114 N -3.64 0.85 -0.13 9.09 -0.71 -1.26 -1.51 117.98 120.67 1gqg s PHE 114 Ca 0.12 -1.14 -0.06 0.00 -1.04 0.00 0.00 56.93 54.80 1gqg s PHE 114 Cb -0.05 -0.34 0.06 0.00 -1.21 0.00 0.00 43.02 41.47 1gqg s PHE 114 CO 0.07 -0.69 0.29 -1.14 -1.34 0.00 0.00 175.22 172.40 1gqg s GLN 115 N -4.08 0.23 -0.07 1.99 0.74 -0.20 -0.09 119.66 118.18 1gqg s GLN 115 Ca 0.30 0.66 -0.30 0.00 0.05 0.00 0.00 55.36 56.06 1gqg s GLN 115 Cb 0.05 -0.06 -0.03 0.00 1.10 0.00 0.00 33.01 34.07 1gqg s GLN 115 CO 0.08 -0.20 1.15 0.42 -0.55 0.00 0.00 175.29 176.18 1gqg s ILE 116 N 1.66 4.40 -0.25 -2.34 -1.09 -1.26 -0.74 121.20 121.58 1gqg s ILE 116 Ca -0.06 1.71 -0.15 0.00 -2.23 0.00 0.00 60.65 59.91 1gqg s ILE 116 Cb -0.11 -4.10 -0.11 0.00 -1.58 0.00 0.00 42.46 36.57 1gqg s ILE 116 CO -0.09 0.00 -0.30 1.67 -1.23 0.00 0.00 174.94 174.99 1gqg n GLN 117 N 5.12 0.57 -3.32 2.79 7.27 0.06 -1.65 117.38 128.22 1gqg n GLN 117 Ca 0.10 0.29 -0.28 0.00 0.07 0.00 0.00 57.00 57.18 1gqg n GLN 117 Cb 0.47 -1.51 -0.03 0.00 2.41 0.00 0.00 30.24 31.58 1gqg n GLN 117 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1gqg s ASP 118 N -7.05 6.44 0.24 1.69 1.01 -1.08 -4.33 116.67 113.59 1gqg s ASP 118 Ca -0.35 0.72 -0.06 0.00 0.71 0.00 0.00 52.55 53.57 1gqg s ASP 118 Cb 0.11 -2.14 0.33 0.00 1.01 0.00 0.00 42.92 42.23 1gqg s ASP 118 CO 0.48 -0.21 1.85 -0.65 0.21 0.00 0.00 175.17 176.85 1gqg h PRO 119 N 1.62 0.93 -2.51 8.23 0.11 -1.90 -3.18 132.00 135.30 1gqg h PRO 119 Ca -0.48 -0.06 -0.73 0.00 0.11 0.00 0.00 66.00 64.84 1gqg h PRO 119 Cb 1.19 -0.21 -0.33 0.00 0.11 0.00 0.00 31.00 31.76 1gqg h PRO 119 CO 0.66 0.61 0.35 -3.47 -0.21 0.00 0.00 178.00 175.94 1gqg n ASP 120 N -4.63 5.80 -4.83 -2.05 2.03 -1.26 -4.11 116.55 107.51 1gqg n ASP 120 Ca 0.12 -3.52 -0.37 0.00 0.52 0.00 0.00 54.79 51.54 1gqg n ASP 120 Cb 0.18 -1.02 -0.06 0.00 -0.72 0.00 0.00 41.12 39.50 1gqg n ASP 120 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1gqg s THR 121 N -3.31 5.33 -0.06 5.18 2.01 -1.14 -3.18 115.64 120.47 1gqg s THR 121 Ca 0.37 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.81 1gqg s THR 121 Cb 0.14 -3.53 0.02 0.00 0.01 0.00 0.00 72.50 69.14 1gqg s THR 121 CO -0.01 0.55 -0.04 -0.70 -0.69 0.00 0.00 174.62 173.74 1gqg s GLU 122 N -0.65 0.87 -0.18 4.92 2.12 -0.43 -1.84 118.70 123.51 1gqg s GLU 122 Ca 0.17 -0.08 -0.01 0.00 0.36 0.00 0.00 54.97 55.41 1gqg s GLU 122 Cb -0.13 -0.96 -0.00 0.00 0.26 0.00 0.00 34.13 33.30 1gqg s GLU 122 CO 0.06 -0.15 -0.12 1.41 -0.54 0.00 0.00 175.26 175.92 1gqg s MET 123 N 1.23 3.25 -0.26 4.30 -2.45 0.45 -0.95 119.30 124.87 1gqg s MET 123 Ca -0.06 -0.71 -0.11 0.00 -1.25 0.00 0.00 55.69 53.56 1gqg s MET 123 Cb -0.14 -2.75 -0.05 0.00 1.25 0.00 0.00 34.83 33.14 1gqg s MET 123 CO -0.02 -0.08 0.17 0.99 1.05 0.00 0.00 175.02 177.14 1gqg s THR 124 N 1.08 5.31 -0.20 10.11 2.01 0.66 0.05 115.64 134.68 1gqg s THR 124 Ca 0.00 0.17 -0.05 0.00 0.31 0.00 0.00 61.69 62.12 1gqg s THR 124 Cb -0.15 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 1gqg s THR 124 CO -0.03 0.29 -0.00 -0.83 -0.69 0.00 0.00 174.62 173.36 1gqg s GLY 125 N 1.45 1.72 -0.20 4.40 0.00 0.12 -1.14 107.32 113.66 1gqg s GLY 125 Ca 0.07 -0.97 -0.02 0.00 0.00 0.00 0.00 44.72 43.81 1gqg s GLY 125 CO 0.08 0.20 -0.11 0.14 0.00 0.00 0.00 173.10 173.42 1gqg s VAL 126 N 0.92 2.86 -0.04 1.40 1.01 -0.61 -0.80 120.40 125.15 1gqg s VAL 126 Ca 0.01 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.38 1gqg s VAL 126 Cb -0.14 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 1gqg s VAL 126 CO 0.02 0.47 -0.21 -0.63 0.00 0.00 0.00 175.10 174.75 1gqg s ILE 127 N 1.37 1.74 -0.04 2.22 1.09 -0.41 -0.61 121.20 126.56 1gqg s ILE 127 Ca 0.05 -0.90 0.03 0.00 -1.10 0.00 0.00 60.65 58.72 1gqg s ILE 127 Cb -0.14 -1.47 0.01 0.00 -1.06 0.00 0.00 42.46 39.80 1gqg s ILE 127 CO -0.07 0.49 -0.12 -0.69 -0.10 0.00 0.00 174.94 174.46 1gqg s VAL 128 N -0.19 1.04 1.04 2.92 1.01 -0.52 -0.76 120.40 124.95 1gqg s VAL 128 Ca -0.00 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.33 1gqg s VAL 128 Cb -0.11 -0.92 0.24 0.00 0.00 0.00 0.00 36.38 35.59 1gqg s VAL 128 CO 0.02 0.32 1.31 -2.16 0.00 0.00 0.00 175.10 174.59 1gqg s PRO 129 N 0.32 -0.03 0.78 2.72 0.04 -1.26 -0.85 135.00 136.71 1gqg s PRO 129 Ca -0.07 -0.47 -0.11 0.00 0.04 0.00 0.00 61.00 60.39 1gqg s PRO 129 Cb -0.12 -1.77 0.06 0.00 0.04 0.00 0.00 34.50 32.71 1gqg s PRO 129 CO 0.02 -2.86 1.09 0.20 0.04 0.00 0.00 177.00 175.49 1gqg s GLY 130 N -4.78 1.63 0.00 0.56 0.00 -0.42 -4.33 107.32 99.98 1gqg s GLY 130 Ca 0.76 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 45.36 1gqg s GLY 130 CO 0.54 0.28 0.00 0.61 0.00 0.00 0.00 173.10 174.54 1gqg n GLY 131 N -1.99 1.11 0.35 0.20 0.00 -1.26 -4.76 105.19 98.83 1gqg n GLY 131 Ca 0.07 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.27 1gqg n GLY 131 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1gqg h PHE 132 N 0.00 0.00 0.00 1.61 3.57 -1.94 -2.42 116.94 117.76 1gqg h PHE 132 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1gqg h PHE 132 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1gqg h PHE 132 CO 0.00 0.00 0.07 1.05 -2.23 0.00 0.00 178.31 177.20 1gqg h GLU 133 N 0.00 0.00 -1.00 1.11 9.09 -1.94 -1.86 114.58 119.98 1gqg h GLU 133 Ca 0.16 0.00 0.26 0.00 0.05 0.00 0.00 59.36 59.82 1gqg h GLU 133 Cb 0.73 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.76 1gqg h GLU 133 CO -0.00 0.00 0.67 -0.44 0.05 0.00 0.00 179.01 179.29 1gqg h ASP 134 N 0.00 0.32 -0.46 3.06 3.32 -1.87 0.19 116.42 120.98 1gqg h ASP 134 Ca 0.00 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.12 1gqg h ASP 134 Cb 0.14 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1gqg h ASP 134 CO 0.00 0.09 0.27 0.25 -1.72 0.00 0.00 179.24 178.13 1gqg h LEU 135 N 0.30 0.45 -0.69 1.55 5.85 -1.60 -2.54 115.31 118.63 1gqg h LEU 135 Ca 0.53 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 59.17 1gqg h LEU 135 Cb 1.52 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 1gqg h LEU 135 CO -0.18 0.32 -0.39 -0.26 -0.34 0.00 0.00 178.44 177.58 1gqg h PHE 136 N 0.55 0.00 -0.59 1.25 0.04 -1.19 0.21 116.94 117.22 1gqg h PHE 136 Ca 0.18 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.89 1gqg h PHE 136 Cb 0.01 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.13 1gqg h PHE 136 CO -0.07 0.39 0.13 1.88 -0.60 0.00 0.00 178.31 180.05 1gqg h TYR 137 N 0.00 0.95 -0.03 -0.55 0.05 -1.15 0.30 116.97 116.54 1gqg h TYR 137 Ca -0.00 -0.10 -0.07 0.00 0.05 0.00 0.00 58.73 58.61 1gqg h TYR 137 Cb 1.02 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 38.49 1gqg h TYR 137 CO 0.00 0.80 -0.24 -0.92 -1.05 0.00 0.00 178.16 176.74 1gqg h TYR 138 N 0.88 0.31 -0.04 4.88 3.20 -1.03 -3.31 116.97 121.85 1gqg h TYR 138 Ca 0.19 -0.14 -0.11 0.00 3.14 0.00 0.00 58.73 61.80 1gqg h TYR 138 Cb 0.33 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1gqg h TYR 138 CO 0.02 0.89 -0.49 -0.07 -1.64 0.00 0.00 178.16 176.87 1gqg h LEU 139 N -0.36 0.12-10.42 2.82 3.38 -0.87 -3.46 115.31 106.52 1gqg h LEU 139 Ca -0.02 -0.06 -0.43 0.00 0.09 0.00 0.00 57.88 57.46 1gqg h LEU 139 Cb 0.93 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 41.67 1gqg h LEU 139 CO 0.05 0.60 -0.22 -0.83 0.09 0.00 0.00 178.44 178.13 1gqg s GLY 140 N -4.33 1.82 -0.15 0.83 0.00 0.10 -4.81 107.32 100.78 1gqg s GLY 140 Ca -0.03 -1.50 -0.01 0.00 0.00 0.00 0.00 44.72 43.18 1gqg s GLY 140 CO 0.76 -1.32 -0.11 -1.59 0.00 0.00 0.00 173.10 170.84 1gqg s THR 141 N -2.42 3.14 0.30 0.90 2.01 -0.22 -4.85 115.64 114.49 1gqg s THR 141 Ca 0.53 -0.62 -0.28 0.00 0.31 0.00 0.00 61.69 61.63 1gqg s THR 141 Cb -0.10 -2.34 -0.14 0.00 0.01 0.00 0.00 72.50 69.93 1gqg s THR 141 CO 0.34 0.50 1.01 0.59 -0.69 0.00 0.00 174.62 176.37 1gqg n ASN 142 N 3.80 1.29 -4.05 3.53 3.02 -1.26 -0.93 115.26 120.65 1gqg n ASN 142 Ca -0.18 1.17 -0.28 0.00 -0.03 0.00 0.00 54.58 55.26 1gqg n ASN 142 Cb 0.52 -1.29 -0.17 0.00 -0.61 0.00 0.00 39.78 38.24 1gqg n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gqg s ALA 143 N -1.07 1.67 0.09 5.41 0.00 -0.68 -4.77 121.76 122.41 1gqg s ALA 143 Ca 0.59 -0.71 -0.14 0.00 0.00 0.00 0.00 51.96 51.69 1gqg s ALA 143 Cb -0.69 -0.82 -0.14 0.00 0.00 0.00 0.00 23.12 21.47 1gqg s ALA 143 CO 0.60 -0.07 1.33 1.15 0.00 0.00 0.00 175.76 178.76 1gqg h THR 144 N 5.96 1.30 -6.82 0.00 2.02 -1.93 -3.42 112.91 110.02 1gqg h THR 144 Ca -0.31 -1.82 -0.49 0.00 0.77 0.00 0.00 66.41 64.55 1gqg h THR 144 Cb 1.17 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 69.47 1gqg h THR 144 CO 0.49 0.58 -0.94 -0.67 0.37 0.00 0.00 175.52 175.34 1gqg n ASP 145 N -4.06 -3.89 -0.36 4.18 -0.08 -1.26 -4.83 116.55 106.26 1gqg n ASP 145 Ca -0.06 -1.03 0.08 0.00 -1.51 0.00 0.00 54.79 52.27 1gqg n ASP 145 Cb 0.66 -1.40 0.26 0.00 2.34 0.00 0.00 41.12 42.97 1gqg n ASP 145 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1gqg h THR 146 N -1.16 0.86 -0.00 5.18 2.02 -1.99 -1.29 112.91 116.53 1gqg h THR 146 Ca -0.61 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.25 1gqg h THR 146 Cb 1.25 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1gqg h THR 146 CO 0.40 0.17 -0.05 0.35 0.37 0.00 0.00 175.52 176.76 1gqg n THR 147 N -4.66 0.00 -2.51 3.16 -2.24 -1.26 -4.93 114.28 101.84 1gqg n THR 147 Ca 0.20 -0.08 -0.19 0.00 -2.27 0.00 0.00 64.05 61.71 1gqg n THR 147 Cb 0.41 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 1gqg n THR 147 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1gqg n HIS 148 N -0.75 -1.11 -2.16 4.78 8.25 -0.49 -4.96 115.22 118.78 1gqg n HIS 148 Ca 0.18 0.13 -0.40 0.00 -0.26 0.00 0.00 57.72 57.38 1gqg n HIS 148 Cb 0.24 -3.74 -0.02 0.00 1.12 0.00 0.00 29.99 27.60 1gqg n HIS 148 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1gqg s THR 149 N -2.96 2.84 0.19 1.59 -1.32 -1.26 -4.91 115.64 109.81 1gqg s THR 149 Ca 0.08 0.78 -0.16 0.00 -1.21 0.00 0.00 61.69 61.17 1gqg s THR 149 Cb -0.03 -3.47 0.18 0.00 -1.51 0.00 0.00 72.50 67.67 1gqg s THR 149 CO 0.09 0.13 1.62 -0.65 -2.21 0.00 0.00 174.62 173.61 1gqg h PRO 150 N 2.97 -0.05 -4.03 7.08 0.11 -1.95 -3.43 132.00 132.70 1gqg h PRO 150 Ca -0.49 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 1gqg h PRO 150 Cb 1.23 0.01 -0.14 0.00 0.11 0.00 0.00 31.00 32.21 1gqg h PRO 150 CO 0.64 -0.04 -0.51 1.52 -0.21 0.00 0.00 178.00 179.40 1gqg s TYR 151 N -6.18 0.37 -0.19 0.65 -0.85 -1.26 -4.68 117.35 105.21 1gqg s TYR 151 Ca -0.14 -0.84 -0.29 0.00 -0.52 0.00 0.00 57.07 55.28 1gqg s TYR 151 Cb 0.17 -0.22 -0.01 0.00 0.38 0.00 0.00 41.96 42.28 1gqg s TYR 151 CO 0.72 -0.49 1.31 0.42 -1.52 0.00 0.00 175.55 175.98 1gqg s ILE 152 N -3.91 4.19 0.00 -3.49 -1.09 -1.26 -5.09 121.20 110.55 1gqg s ILE 152 Ca 0.08 1.42 -0.01 0.00 -2.23 0.00 0.00 60.65 59.91 1gqg s ILE 152 Cb 0.06 -3.99 -0.04 0.00 -1.58 0.00 0.00 42.46 36.92 1gqg s ILE 152 CO -0.09 -0.21 0.92 -0.81 -1.23 0.00 0.00 174.94 173.52 1gqg n PRO 153 N 6.83 0.38 -0.26 2.79 -0.04 -1.26 -5.03 135.00 138.39 1gqg n PRO 153 Ca 0.14 -0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1gqg n PRO 153 Cb 0.45 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1gqg n PRO 153 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1gqg n SER 167 N 2.45 -0.23 0.09 3.54 7.64 -1.26 -5.21 113.62 120.64 1gqg n SER 167 Ca 0.06 -0.15 -0.05 0.00 1.01 0.00 0.00 58.87 59.74 1gqg n SER 167 Cb 0.18 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.35 1gqg n SER 167 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1gqg h THR 168 N 1.34 0.00 -0.80 0.44 1.35 -2.04 -1.10 112.91 112.10 1gqg h THR 168 Ca 0.00 0.00 0.32 0.00 -0.55 0.00 0.00 66.41 66.18 1gqg h THR 168 Cb 0.12 0.00 -0.15 0.00 -1.73 0.00 0.00 68.15 66.39 1gqg h THR 168 CO 0.12 0.00 0.38 0.00 -0.25 0.00 0.00 175.52 175.77 1gqg n ILE 169 N -3.14 -0.34 -0.05 6.82 3.06 -1.26 0.20 119.36 124.65 1gqg n ILE 169 Ca -0.03 1.65 -0.12 0.00 -2.50 0.00 0.00 62.75 61.74 1gqg n ILE 169 Cb 0.13 -2.64 -0.06 0.00 0.54 0.00 0.00 39.64 37.61 1gqg n ILE 169 CO 0.00 0.00 0.00 -1.28 -2.50 0.00 0.00 176.55 172.77 1gqg h SER 170 N 0.00 0.29 0.80 9.51 0.87 -1.83 0.15 113.55 123.34 1gqg h SER 170 Ca 0.66 -0.38 -0.18 0.00 -1.23 0.00 0.00 61.79 60.66 1gqg h SER 170 Cb 1.70 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 63.56 1gqg h SER 170 CO -0.64 0.60 -0.86 0.71 -0.53 0.00 0.00 176.83 176.12 1gqg h THR 171 N -0.02 1.59 -0.37 2.23 1.35 0.34 -2.75 112.91 115.27 1gqg h THR 171 Ca 0.04 -2.86 -0.12 0.00 -0.55 0.00 0.00 66.41 62.92 1gqg h THR 171 Cb 0.48 2.56 -0.01 0.00 -1.73 0.00 0.00 68.15 69.45 1gqg h THR 171 CO 0.02 0.82 -0.24 -0.07 -0.25 0.00 0.00 175.52 175.80 1gqg h LEU 172 N 0.02 0.85 -1.36 3.87 3.38 0.24 -2.94 115.31 119.37 1gqg h LEU 172 Ca -0.02 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 1gqg h LEU 172 Cb 1.51 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 1gqg h LEU 172 CO 0.12 1.10 0.16 1.56 0.09 0.00 0.00 178.44 181.46 1gqg h GLN 173 N 0.61 0.60 0.00 1.13 4.20 -0.49 0.00 115.11 121.16 1gqg h GLN 173 Ca 0.08 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1gqg h GLN 173 Cb 0.80 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.47 1gqg h GLN 173 CO 0.07 0.50 -0.03 0.77 -0.67 0.00 0.00 178.83 179.47 1gqg h SER 174 N 0.59 0.00 -0.60 1.46 0.02 -1.31 -0.24 113.55 113.47 1gqg h SER 174 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1gqg h SER 174 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1gqg h SER 174 CO -0.01 0.03 0.00 0.49 -1.14 0.00 0.00 176.83 176.20 1gqg n PHE 175 N -3.26 0.85 -3.11 3.45 3.72 -0.16 -4.92 117.46 114.03 1gqg n PHE 175 Ca -0.02 -0.41 -0.15 0.00 -0.05 0.00 0.00 57.45 56.82 1gqg n PHE 175 Cb 0.18 -0.02 0.05 0.00 -0.94 0.00 0.00 39.48 38.74 1gqg n PHE 175 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1gqg n ASP 176 N 1.23 -4.80 -4.08 4.37 2.03 -0.10 -4.92 116.55 110.28 1gqg n ASP 176 Ca 0.20 -0.31 -0.32 0.00 0.52 0.00 0.00 54.79 54.88 1gqg n ASP 176 Cb 0.53 -3.45 -0.15 0.00 -0.72 0.00 0.00 41.12 37.33 1gqg n ASP 176 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1gqg s VAL 177 N -3.15 2.16 -0.32 5.18 1.01 -0.33 -4.18 120.40 120.77 1gqg s VAL 177 Ca 0.34 -1.49 -0.03 0.00 0.00 0.00 0.00 61.98 60.80 1gqg s VAL 177 Cb -0.15 -2.20 0.05 0.00 0.00 0.00 0.00 36.38 34.08 1gqg s VAL 177 CO 0.42 0.09 0.04 -0.31 0.00 0.00 0.00 175.10 175.34 1gqg s TYR 178 N 1.14 3.28 0.50 5.22 1.51 -0.11 -2.72 117.35 126.17 1gqg s TYR 178 Ca -0.06 -1.79 -0.22 0.00 -1.01 0.00 0.00 57.07 53.99 1gqg s TYR 178 Cb -0.19 -2.22 -0.06 0.00 -0.11 0.00 0.00 41.96 39.38 1gqg s TYR 178 CO -0.07 -0.79 1.24 0.00 -1.11 0.00 0.00 175.55 174.82 1gqg s ALA 179 N 1.29 2.90 -0.62 3.71 0.00 -1.26 -0.49 121.76 127.28 1gqg s ALA 179 Ca -0.03 1.09 0.04 0.00 0.00 0.00 0.00 51.96 53.06 1gqg s ALA 179 Cb -0.20 -3.46 0.16 0.00 0.00 0.00 0.00 23.12 19.62 1gqg s ALA 179 CO -0.00 -0.96 0.41 -1.21 0.00 0.00 0.00 175.76 174.00 1gqg s GLU 180 N -2.80 2.12 0.45 0.00 0.41 -0.55 -4.86 118.70 113.48 1gqg s GLU 180 Ca 0.67 -2.98 0.22 0.00 -0.41 0.00 0.00 54.97 52.47 1gqg s GLU 180 Cb -0.33 -3.12 1.08 0.00 -1.78 0.00 0.00 34.13 29.98 1gqg s GLU 180 CO 0.40 -1.25 1.93 -0.07 -0.49 0.00 0.00 175.26 175.78 1gqg h LEU 181 N 5.74 0.00 -0.15 1.80 4.07 -1.94 -2.60 115.31 122.22 1gqg h LEU 181 Ca 0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1gqg h LEU 181 Cb 0.81 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.55 1gqg h LEU 181 CO 0.66 0.23 -0.01 -1.54 -1.08 0.00 0.00 178.44 176.70 1gqg n SER 182 N -3.73 0.25 -4.67 -0.43 3.41 -1.26 -4.85 113.62 102.34 1gqg n SER 182 Ca -0.01 -0.89 -0.43 0.00 -0.26 0.00 0.00 58.87 57.28 1gqg n SER 182 Cb 0.34 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.22 1gqg n SER 182 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1gqg s PHE 183 N -2.14 2.98 -0.36 7.33 5.36 -0.98 -4.99 117.98 125.18 1gqg s PHE 183 Ca 0.42 1.07 -0.02 0.00 -0.96 0.00 0.00 56.93 57.43 1gqg s PHE 183 Cb 0.21 -3.49 0.08 0.00 -0.34 0.00 0.00 43.02 39.49 1gqg s PHE 183 CO 0.39 -1.64 0.11 0.99 -1.46 0.00 0.00 175.22 173.62 1gqg s THR 184 N 2.84 3.12 0.13 0.12 2.01 -1.26 -4.96 115.64 117.64 1gqg s THR 184 Ca 0.56 -1.80 -0.35 0.00 0.31 0.00 0.00 61.69 60.42 1gqg s THR 184 Cb -0.24 -3.01 -0.14 0.00 0.01 0.00 0.00 72.50 69.11 1gqg s THR 184 CO 0.19 -0.45 1.54 -2.65 -0.69 0.00 0.00 174.62 172.56 1gqg n PRO 185 N 4.58 1.90 -1.99 4.92 -0.02 -1.26 -4.85 135.00 138.30 1gqg n PRO 185 Ca -0.06 0.69 -0.39 0.00 -2.02 0.00 0.00 63.50 61.72 1gqg n PRO 185 Cb 0.42 -2.43 0.01 0.00 -0.02 0.00 0.00 33.50 31.48 1gqg n PRO 185 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1gqg s ARG 186 N 0.98 3.77 -0.28 -0.52 1.70 -1.26 -4.93 118.95 118.42 1gqg s ARG 186 Ca 0.81 2.18 0.08 0.00 -0.47 0.00 0.00 55.73 58.33 1gqg s ARG 186 Cb -0.75 -2.63 0.46 0.00 -0.57 0.00 0.00 34.95 31.46 1gqg s ARG 186 CO 0.41 -0.66 1.31 0.25 -1.08 0.00 0.00 175.30 175.53 1gqg n THR 187 N -0.16 2.48 -1.71 4.99 -2.24 -1.26 -4.61 114.28 111.77 1gqg n THR 187 Ca 0.05 -3.46 -0.02 0.00 -2.27 0.00 0.00 64.05 58.35 1gqg n THR 187 Cb 0.44 -0.62 0.16 0.00 -2.10 0.00 0.00 70.33 68.20 1gqg n THR 187 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1gqg n ASP 188 N -0.97 2.60 -4.74 3.42 5.75 -1.26 -5.05 116.55 116.29 1gqg n ASP 188 Ca 0.33 -3.87 -0.41 0.00 -0.01 0.00 0.00 54.79 50.84 1gqg n ASP 188 Cb 0.87 -0.48 -0.02 0.00 -1.03 0.00 0.00 41.12 40.45 1gqg n ASP 188 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1gqg s THR 189 N -3.61 2.72 -0.06 2.12 2.01 -1.26 -4.76 115.64 112.80 1gqg s THR 189 Ca 0.42 0.59 -0.04 0.00 0.31 0.00 0.00 61.69 62.97 1gqg s THR 189 Cb 0.38 -3.38 0.02 0.00 0.01 0.00 0.00 72.50 69.54 1gqg s THR 189 CO -0.04 0.09 0.14 -0.69 -0.69 0.00 0.00 174.62 173.43 1gqg s VAL 190 N 0.13 -0.02 -1.06 3.82 1.01 -1.02 -4.88 120.40 118.38 1gqg s VAL 190 Ca 0.60 0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.60 1gqg s VAL 190 Cb -0.41 -0.21 0.03 0.00 0.00 0.00 0.00 36.38 35.79 1gqg s VAL 190 CO 0.42 0.03 0.23 0.59 0.00 0.00 0.00 175.10 176.36 1gqg n ASN 191 N 3.47 -3.52 -0.03 3.32 3.02 -1.26 -1.55 115.26 118.70 1gqg n ASN 191 Ca -0.18 -0.05 -0.00 0.00 -0.03 0.00 0.00 54.58 54.31 1gqg n ASN 191 Cb 0.56 -2.97 -0.00 0.00 -0.61 0.00 0.00 39.78 36.76 1gqg n ASN 191 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gqg n GLY 192 N -0.95 0.47 3.32 7.41 0.00 -1.26 -4.96 105.19 109.22 1gqg n GLY 192 Ca -0.07 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 1gqg n GLY 192 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1gqg s THR 193 N -1.98 0.05 -0.13 2.61 -1.32 -0.59 -0.70 115.64 113.59 1gqg s THR 193 Ca 0.00 -0.45 -0.29 0.00 -1.21 0.00 0.00 61.69 59.74 1gqg s THR 193 Cb 0.00 -0.92 0.07 0.00 -1.51 0.00 0.00 72.50 70.14 1gqg s THR 193 CO 0.00 -0.25 0.69 0.00 -2.21 0.00 0.00 174.62 172.85 1gqg s ALA 194 N -2.32 -1.76 1.03 11.08 0.00 -0.97 -2.45 121.76 126.37 1gqg s ALA 194 Ca -0.06 1.57 -0.07 0.00 0.00 0.00 0.00 51.96 53.40 1gqg s ALA 194 Cb -0.01 -0.43 0.10 0.00 0.00 0.00 0.00 23.12 22.77 1gqg s ALA 194 CO -0.01 -0.36 0.50 -0.35 0.00 0.00 0.00 175.76 175.54 1gqg n PRO 195 N 1.57 -0.97 -0.16 0.00 -0.04 -1.26 -1.35 135.00 132.78 1gqg n PRO 195 Ca -0.17 -0.77 0.09 0.00 -0.04 0.00 0.00 63.50 62.60 1gqg n PRO 195 Cb 0.56 -0.58 0.40 0.00 -0.04 0.00 0.00 33.50 33.84 1gqg n PRO 195 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gqg h ALA 196 N -2.05 1.81 -0.28 0.55 0.00 -1.92 -3.14 119.26 114.24 1gqg h ALA 196 Ca -0.17 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.52 1gqg h ALA 196 Cb 0.48 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.03 1gqg h ALA 196 CO 0.12 0.05 0.23 0.27 0.00 0.00 0.00 179.25 179.91 1gqg n ASN 197 N -4.49 6.01 -4.54 0.00 6.94 -1.26 -4.88 115.26 113.04 1gqg n ASN 197 Ca 0.11 -2.81 -0.25 0.00 -0.02 0.00 0.00 54.58 51.62 1gqg n ASN 197 Cb 0.30 -1.11 -0.10 0.00 -2.36 0.00 0.00 39.78 36.51 1gqg n ASN 197 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1gqg s THR 198 N -1.31 2.54 -0.26 5.53 -4.23 -1.19 -5.12 115.64 111.60 1gqg s THR 198 Ca 0.22 -2.21 -0.02 0.00 -1.18 0.00 0.00 61.69 58.50 1gqg s THR 198 Cb 0.16 -2.56 0.03 0.00 1.34 0.00 0.00 72.50 71.48 1gqg s THR 198 CO -0.01 -0.30 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.04 1gqg s VAL 199 N -2.52 2.97 -0.24 2.29 1.01 -1.26 -5.05 120.40 117.60 1gqg s VAL 199 Ca 0.32 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 1gqg s VAL 199 Cb -0.02 -2.55 0.10 0.00 0.00 0.00 0.00 36.38 33.91 1gqg s VAL 199 CO 0.17 0.14 0.20 0.86 0.00 0.00 0.00 175.10 176.46 1gqg s TRP 200 N 1.32 -0.11 -0.23 5.22 -0.00 -1.26 -4.82 118.94 119.06 1gqg s TRP 200 Ca -0.01 -0.19 0.00 0.00 -0.00 0.00 0.00 56.10 55.90 1gqg s TRP 200 Cb -0.17 -0.56 0.00 0.00 -0.00 0.00 0.00 33.47 32.74 1gqg s TRP 200 CO -0.03 -0.71 0.00 0.72 -0.00 0.00 0.00 176.95 176.93 1gqg n HIS 201 N 5.30 0.00 -0.16 5.86 8.25 -1.26 -4.81 115.22 128.40 1gqg n HIS 201 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1gqg n HIS 201 Cb 0.47 -1.44 0.00 0.00 1.12 0.00 0.00 29.99 30.14 1gqg n HIS 201 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1gqg n THR 202 N -2.41 0.33 0.00 1.59 -2.24 -1.26 -5.10 114.28 105.19 1gqg n THR 202 Ca -0.02 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1gqg n THR 202 Cb 0.33 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 1gqg n THR 202 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gqg n GLY 203 N -0.17 -0.75 3.77 3.38 0.00 -1.26 -5.11 105.19 105.05 1gqg n GLY 203 Ca 0.00 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 1gqg n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqg s ALA 204 N -2.00 3.44 -0.17 4.61 0.00 -1.26 -4.78 121.76 121.59 1gqg s ALA 204 Ca 0.00 1.42 -0.01 0.00 0.00 0.00 0.00 51.96 53.37 1gqg s ALA 204 Cb 0.00 -3.55 -0.00 0.00 0.00 0.00 0.00 23.12 19.56 1gqg s ALA 204 CO 0.00 -0.95 -0.12 -0.80 0.00 0.00 0.00 175.76 173.90 1gqg s ASN 205 N -0.40 3.91 0.22 0.00 0.02 -0.06 -4.97 114.94 113.67 1gqg s ASN 205 Ca 0.54 -0.43 -0.01 0.00 -1.02 0.00 0.00 52.86 51.94 1gqg s ASN 205 Cb -0.43 -1.63 -0.04 0.00 0.02 0.00 0.00 41.25 39.17 1gqg s ASN 205 CO 0.57 0.06 0.42 0.00 0.02 0.00 0.00 177.10 178.17 1gqg s ALA 206 N 0.97 3.79 0.32 0.60 0.00 -1.26 -4.05 121.76 122.13 1gqg s ALA 206 Ca -0.02 -0.80 -0.28 0.00 0.00 0.00 0.00 51.96 50.86 1gqg s ALA 206 Cb -0.15 -2.04 -0.10 0.00 0.00 0.00 0.00 23.12 20.84 1gqg s ALA 206 CO -0.01 0.38 1.18 -0.51 0.00 0.00 0.00 175.76 176.80 1gqg s LEU 207 N -3.43 4.44 0.29 0.00 1.02 -1.26 -4.82 118.68 114.92 1gqg s LEU 207 Ca 0.39 2.43 -0.30 0.00 0.02 0.00 0.00 54.13 56.67 1gqg s LEU 207 Cb -0.11 -3.71 -0.12 0.00 0.02 0.00 0.00 46.19 42.27 1gqg s LEU 207 CO 0.29 -0.38 1.44 0.00 0.02 0.00 0.00 176.35 177.73 1gqg n ALA 208 N 0.84 1.67 0.11 4.21 0.00 -1.26 -4.87 120.51 121.21 1gqg n ALA 208 Ca 0.00 0.38 0.12 0.00 0.00 0.00 0.00 53.44 53.94 1gqg n ALA 208 Cb 0.44 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.56 1gqg n ALA 208 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1gqg h SER 209 N 3.94 0.00 -3.62 0.00 4.64 -1.95 -3.44 113.55 113.12 1gqg h SER 209 Ca -0.46 -0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.23 1gqg h SER 209 Cb 1.26 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.21 1gqg h SER 209 CO 0.73 0.00 -0.06 -0.89 -0.87 0.00 0.00 176.83 175.74 1gqg s THR 210 N -3.36 5.07 0.32 2.95 2.01 -1.26 -4.99 115.64 116.38 1gqg s THR 210 Ca -0.00 0.66 -0.29 0.00 0.31 0.00 0.00 61.69 62.36 1gqg s THR 210 Cb 0.10 -3.85 -0.11 0.00 0.01 0.00 0.00 72.50 68.65 1gqg s THR 210 CO 0.79 0.00 1.46 0.00 -0.69 0.00 0.00 174.62 176.18 1gqg s ALA 211 N 2.30 3.61 0.00 7.40 0.00 -1.26 -2.40 121.76 131.40 1gqg s ALA 211 Ca 0.19 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.60 1gqg s ALA 211 Cb -0.16 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1gqg s ALA 211 CO 0.11 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.39 1gqg n GLY 212 N 1.29 1.01 3.78 0.00 0.00 -1.26 -5.05 105.19 104.97 1gqg n GLY 212 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1gqg n GLY 212 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gqg s ASP 213 N -2.01 6.83 0.77 1.61 1.11 -1.01 -4.73 116.67 119.24 1gqg s ASP 213 Ca 0.00 0.99 -0.11 0.00 0.18 0.00 0.00 52.55 53.61 1gqg s ASP 213 Cb 0.00 -2.30 0.05 0.00 1.07 0.00 0.00 42.92 41.75 1gqg s ASP 213 CO 0.00 0.18 1.09 -2.16 1.18 0.00 0.00 175.17 175.45 1gqg s PRO 214 N -0.39 2.28 0.16 8.23 0.04 -1.26 -4.72 135.00 139.34 1gqg s PRO 214 Ca 0.26 1.10 -0.23 0.00 0.04 0.00 0.00 61.00 62.17 1gqg s PRO 214 Cb -0.17 -1.90 0.07 0.00 0.04 0.00 0.00 34.50 32.53 1gqg s PRO 214 CO 0.14 -1.61 0.65 1.52 0.04 0.00 0.00 177.00 177.74 1gqg s TYR 215 N -2.93 -0.46 0.02 0.56 1.13 -1.13 -4.89 117.35 109.65 1gqg s TYR 215 Ca 0.61 0.21 0.02 0.00 -1.41 0.00 0.00 57.07 56.50 1gqg s TYR 215 Cb -0.17 0.58 -0.01 0.00 -1.10 0.00 0.00 41.96 41.26 1gqg s TYR 215 CO 0.56 -0.88 -0.06 -0.06 -2.51 0.00 0.00 175.55 172.59 1gqg s PHE 216 N -3.71 0.55 -0.16 -3.49 0.40 -1.26 -0.43 117.98 109.88 1gqg s PHE 216 Ca 0.03 -0.30 -0.01 0.00 -0.60 0.00 0.00 56.93 56.05 1gqg s PHE 216 Cb -0.02 -0.34 0.04 0.00 0.51 0.00 0.00 43.02 43.22 1gqg s PHE 216 CO -0.09 -0.05 -0.04 0.42 0.70 0.00 0.00 175.22 176.16 1gqg s ILE 217 N -0.77 0.98 0.38 0.64 1.01 -0.01 -4.81 121.20 118.63 1gqg s ILE 217 Ca -0.04 -0.56 -0.25 0.00 0.00 0.00 0.00 60.65 59.80 1gqg s ILE 217 Cb -0.06 -1.19 -0.09 0.00 0.01 0.00 0.00 42.46 41.12 1gqg s ILE 217 CO 0.00 0.10 1.05 0.00 0.00 0.00 0.00 174.94 176.09 1gqg s ALA 218 N 1.69 3.13 -0.39 9.38 0.00 -1.26 -1.15 121.76 133.15 1gqg s ALA 218 Ca 0.01 0.72 -0.40 0.00 0.00 0.00 0.00 51.96 52.28 1gqg s ALA 218 Cb -0.15 -3.28 -0.16 0.00 0.00 0.00 0.00 23.12 19.54 1gqg s ALA 218 CO -0.07 -0.19 1.99 -1.71 0.00 0.00 0.00 175.76 175.78 1gqg n ASN 219 N 0.10 1.73 0.00 0.00 5.15 -1.25 -0.91 115.26 120.08 1gqg n ASN 219 Ca 0.04 0.75 0.00 0.00 -0.60 0.00 0.00 54.58 54.77 1gqg n ASN 219 Cb 0.49 -1.09 0.00 0.00 -0.53 0.00 0.00 39.78 38.65 1gqg n ASN 219 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1gqg n GLY 220 N 5.91 0.86 0.61 8.20 0.00 -1.26 -4.92 105.19 114.58 1gqg n GLY 220 Ca 0.40 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.53 1gqg n GLY 220 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1gqg n TRP 221 N -2.03 0.00 -2.59 1.61 7.02 -0.09 -4.85 117.44 116.51 1gqg n TRP 221 Ca 0.00 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.24 1gqg n TRP 221 Cb 0.00 0.00 0.12 0.00 -2.42 0.00 0.00 31.31 29.01 1gqg n TRP 221 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1gqg s GLY 222 N -2.23 1.75 0.49 6.99 0.00 -1.26 -0.88 107.32 112.19 1gqg s GLY 222 Ca 0.20 -1.81 -0.23 0.00 0.00 0.00 0.00 44.72 42.88 1gqg s GLY 222 CO 0.46 -1.20 1.33 -4.14 0.00 0.00 0.00 173.10 169.56 1gqg s PRO 223 N -5.20 3.47 0.05 2.90 0.02 -1.26 -4.91 135.00 130.07 1gqg s PRO 223 Ca 0.68 2.19 0.02 0.00 0.02 0.00 0.00 61.00 63.90 1gqg s PRO 223 Cb -0.04 -2.43 -0.03 0.00 0.02 0.00 0.00 34.50 32.02 1gqg s PRO 223 CO 0.45 -0.91 -0.07 0.15 -0.33 0.00 0.00 177.00 176.29 1gqg s LYS 224 N -2.68 0.54 -0.04 5.54 1.02 -1.25 -3.66 119.74 119.20 1gqg s LYS 224 Ca 0.66 -0.82 0.04 0.00 0.02 0.00 0.00 55.97 55.87 1gqg s LYS 224 Cb -0.39 -0.23 -0.00 0.00 -0.52 0.00 0.00 37.83 36.69 1gqg s LYS 224 CO 0.48 0.03 -0.14 0.71 -0.92 0.00 0.00 175.35 175.50 1gqg s TYR 225 N -1.70 1.45 -0.25 3.18 1.51 -0.04 -0.89 117.35 120.60 1gqg s TYR 225 Ca -0.08 -0.40 -0.11 0.00 -1.01 0.00 0.00 57.07 55.47 1gqg s TYR 225 Cb -0.08 -0.99 -0.05 0.00 -0.11 0.00 0.00 41.96 40.73 1gqg s TYR 225 CO -0.01 -0.15 0.18 -1.17 -1.11 0.00 0.00 175.55 173.30 1gqg s LEU 226 N 0.11 4.09 -0.18 -1.29 2.96 0.39 -0.66 118.68 124.10 1gqg s LEU 226 Ca -0.04 0.09 -0.05 0.00 -0.22 0.00 0.00 54.13 53.91 1gqg s LEU 226 Cb -0.11 -2.13 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 1gqg s LEU 226 CO 0.02 0.02 -0.01 0.21 -1.32 0.00 0.00 176.35 175.28 1gqg s ASN 227 N 1.26 4.96 -0.16 3.68 3.84 0.64 -1.34 114.94 127.83 1gqg s ASN 227 Ca 0.08 -0.12 0.17 0.00 0.21 0.00 0.00 52.86 53.20 1gqg s ASN 227 Cb -0.14 -1.83 0.38 0.00 -0.55 0.00 0.00 41.25 39.10 1gqg s ASN 227 CO 0.06 0.13 1.25 -1.20 -2.79 0.00 0.00 177.10 174.55 1gqg n SER 228 N 3.79 2.67 0.08 -4.21 7.64 -1.26 -1.11 113.62 121.23 1gqg n SER 228 Ca -0.17 -3.21 -0.10 0.00 1.01 0.00 0.00 58.87 56.40 1gqg n SER 228 Cb 0.52 -0.48 -0.05 0.00 -1.01 0.00 0.00 64.21 63.18 1gqg n SER 228 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1gqg h GLN 229 N 0.62 0.19 -2.07 1.43 4.20 -1.94 -3.38 115.11 114.15 1gqg h GLN 229 Ca 0.01 -0.24 -0.54 0.00 0.06 0.00 0.00 58.65 57.95 1gqg h GLN 229 Cb 1.15 0.08 -0.40 0.00 0.30 0.00 0.00 27.48 28.61 1gqg h GLN 229 CO 0.08 1.02 -1.02 0.66 -0.67 0.00 0.00 178.83 178.91 1gqg n TYR 230 N -3.59 1.00 -4.11 2.96 4.01 -1.26 -5.02 117.16 111.16 1gqg n TYR 230 Ca -0.04 -3.81 0.00 0.00 -0.16 0.00 0.00 57.90 53.89 1gqg n TYR 230 Cb 0.87 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 39.48 1gqg n TYR 230 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gqg n GLY 231 N 0.61 -1.61 3.69 2.72 0.00 -1.26 -4.81 105.19 104.52 1gqg n GLY 231 Ca 0.25 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.60 1gqg n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gqg s TYR 232 N 0.00 3.33 -0.03 1.61 2.02 -1.26 -4.13 117.35 118.90 1gqg s TYR 232 Ca 0.00 0.20 0.02 0.00 -0.37 0.00 0.00 57.07 56.93 1gqg s TYR 232 Cb 0.00 -2.10 0.01 0.00 -0.40 0.00 0.00 41.96 39.46 1gqg s TYR 232 CO 0.00 0.24 -0.09 -0.65 -1.57 0.00 0.00 175.55 173.49 1gqg s GLN 233 N 0.29 0.99 -0.22 -0.62 -0.21 -0.26 -1.00 119.66 118.62 1gqg s GLN 233 Ca 0.06 -0.29 -0.03 0.00 0.02 0.00 0.00 55.36 55.12 1gqg s GLN 233 Cb -0.12 -0.92 -0.00 0.00 1.00 0.00 0.00 33.01 32.98 1gqg s GLN 233 CO -0.01 0.09 -0.07 0.42 -2.12 0.00 0.00 175.29 173.60 1gqg s ILE 234 N 0.29 3.14 -0.20 1.08 1.01 0.35 -0.26 121.20 126.61 1gqg s ILE 234 Ca -0.05 -0.60 -0.12 0.00 0.00 0.00 0.00 60.65 59.88 1gqg s ILE 234 Cb -0.10 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 1gqg s ILE 234 CO 0.01 0.42 0.24 -0.69 0.00 0.00 0.00 174.94 174.91 1gqg s VAL 235 N 1.44 5.32 -0.47 2.92 1.01 0.16 -0.45 120.40 130.33 1gqg s VAL 235 Ca 0.05 0.39 -0.05 0.00 0.00 0.00 0.00 61.98 62.37 1gqg s VAL 235 Cb -0.14 -3.58 0.12 0.00 0.00 0.00 0.00 36.38 32.79 1gqg s VAL 235 CO -0.05 0.36 0.30 0.00 0.00 0.00 0.00 175.10 175.71 1gqg s ALA 236 N 0.80 3.32 0.30 5.51 0.00 -0.13 -0.86 121.76 130.71 1gqg s ALA 236 Ca 0.12 -2.68 -0.29 0.00 0.00 0.00 0.00 51.96 49.11 1gqg s ALA 236 Cb -0.13 -2.61 -0.10 0.00 0.00 0.00 0.00 23.12 20.28 1gqg s ALA 236 CO 0.04 -1.90 1.44 -2.14 0.00 0.00 0.00 175.76 173.20 1gqg s PRO 237 N 0.98 4.23 -0.10 0.00 0.02 -1.24 -1.83 135.00 137.07 1gqg s PRO 237 Ca 0.09 2.38 0.00 0.00 0.02 0.00 0.00 61.00 63.49 1gqg s PRO 237 Cb -0.23 -3.06 -0.07 0.00 0.02 0.00 0.00 34.50 31.17 1gqg s PRO 237 CO -0.03 -0.42 -0.10 1.19 -0.33 0.00 0.00 177.00 177.31 1gqg n PHE 238 N 1.57 0.00 -4.20 6.54 3.72 0.71 -4.73 117.46 121.07 1gqg n PHE 238 Ca 0.04 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.23 1gqg n PHE 238 Cb 0.40 -0.39 -0.16 0.00 -0.94 0.00 0.00 39.48 38.38 1gqg n PHE 238 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1gqg s VAL 239 N -2.20 0.67 0.50 -4.37 1.01 -0.22 -4.95 120.40 110.84 1gqg s VAL 239 Ca -0.14 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1gqg s VAL 239 Cb 0.04 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 1gqg s VAL 239 CO 0.23 0.26 0.04 0.42 0.00 0.00 0.00 175.10 176.05 1gqg s THR 240 N 0.99 0.88 0.52 3.92 -4.23 -1.26 -1.94 115.64 114.52 1gqg s THR 240 Ca -0.10 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.63 1gqg s THR 240 Cb -0.14 -2.08 0.36 0.00 1.34 0.00 0.00 72.50 71.97 1gqg s THR 240 CO -0.00 0.00 2.04 0.00 -0.54 0.00 0.00 174.62 176.12 1gqg h ALA 241 N 1.39 2.33 -0.66 3.99 0.00 -1.92 -0.11 119.26 124.28 1gqg h ALA 241 Ca -0.41 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.55 1gqg h ALA 241 Cb 1.32 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 1gqg h ALA 241 CO 0.68 -0.44 0.35 1.15 0.00 0.00 0.00 179.25 180.99 1gqg h THR 242 N 0.02 0.94 0.12 0.00 2.02 -1.95 -1.52 112.91 112.53 1gqg h THR 242 Ca 0.18 -0.22 -0.36 0.00 0.77 0.00 0.00 66.41 66.78 1gqg h THR 242 Cb 0.69 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1gqg h THR 242 CO -0.00 0.12 -1.94 1.56 0.37 0.00 0.00 175.52 175.62 1gqg h GLN 243 N 0.64 0.26 -0.52 6.66 7.50 -1.50 -3.39 115.11 124.76 1gqg h GLN 243 Ca 0.30 -0.45 -0.11 0.00 0.50 0.00 0.00 58.65 58.89 1gqg h GLN 243 Cb 0.22 0.17 -0.02 0.00 0.05 0.00 0.00 27.48 27.90 1gqg h GLN 243 CO -0.20 1.18 -0.12 0.00 -1.50 0.00 0.00 178.83 178.19 1gqg h ALA 244 N 0.15 0.71 -0.60 3.87 0.00 -1.03 -3.44 119.26 118.91 1gqg h ALA 244 Ca -0.40 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1gqg h ALA 244 Cb 2.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1gqg h ALA 244 CO 0.10 0.63 0.00 1.04 0.00 0.00 0.00 179.25 181.02 1gqg n GLN 245 N -4.18 0.00 0.07 0.00 6.02 -0.58 -1.47 117.38 117.25 1gqg n GLN 245 Ca 0.01 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.09 1gqg n GLN 245 Cb 0.40 0.00 0.39 0.00 1.02 0.00 0.00 30.24 32.06 1gqg n GLN 245 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1gqg n ASP 246 N 3.69 0.35 0.21 1.08 5.75 -1.26 -1.58 116.55 124.80 1gqg n ASP 246 Ca 0.00 0.60 0.15 0.00 -0.01 0.00 0.00 54.79 55.53 1gqg n ASP 246 Cb 0.00 -0.67 0.61 0.00 -1.03 0.00 0.00 41.12 40.03 1gqg n ASP 246 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1gqg h THR 247 N 0.00 0.00 -5.63 2.12 1.35 -1.64 -3.47 112.91 105.65 1gqg h THR 247 Ca 0.00 -0.38 -0.29 0.00 -0.55 0.00 0.00 66.41 65.19 1gqg h THR 247 Cb 0.26 1.27 0.17 0.00 -1.73 0.00 0.00 68.15 68.12 1gqg h THR 247 CO 0.00 0.00 -0.86 -3.20 -0.25 0.00 0.00 175.52 171.21 1gqg n ASN 248 N -2.72 -6.39 -3.91 5.36 5.15 -0.61 -4.88 115.26 107.26 1gqg n ASN 248 Ca 0.01 -0.76 -0.09 0.00 -0.60 0.00 0.00 54.58 53.14 1gqg n ASN 248 Cb 0.27 -4.80 -0.04 0.00 -0.53 0.00 0.00 39.78 34.68 1gqg n ASN 248 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 1gqg s TYR 249 N -3.39 0.11 0.13 1.20 1.13 -1.24 -0.72 117.35 114.56 1gqg s TYR 249 Ca 0.45 -0.49 0.05 0.00 -1.41 0.00 0.00 57.07 55.67 1gqg s TYR 249 Cb -0.08 0.37 -0.04 0.00 -1.10 0.00 0.00 41.96 41.11 1gqg s TYR 249 CO 0.77 -1.04 -0.12 0.95 -2.51 0.00 0.00 175.55 173.60 1gqg s THR 250 N -3.96 1.20 -0.07 -3.49 -4.23 -0.19 -4.57 115.64 100.33 1gqg s THR 250 Ca 0.16 -1.82 -0.06 0.00 -1.18 0.00 0.00 61.69 58.79 1gqg s THR 250 Cb -0.02 -1.60 0.02 0.00 1.34 0.00 0.00 72.50 72.23 1gqg s THR 250 CO 0.06 -0.56 0.18 -0.22 -0.54 0.00 0.00 174.62 173.54 1gqg s LEU 251 N -2.71 1.27 0.14 4.79 2.96 -0.82 -1.45 118.68 122.87 1gqg s LEU 251 Ca 0.11 0.36 -0.25 0.00 -0.22 0.00 0.00 54.13 54.14 1gqg s LEU 251 Cb -0.02 0.61 0.08 0.00 0.50 0.00 0.00 46.19 47.36 1gqg s LEU 251 CO 0.02 -0.07 1.04 -0.94 -1.32 0.00 0.00 176.35 175.08 1gqg s SER 252 N 0.17 -0.08 0.10 3.68 1.04 -0.39 -0.21 113.70 118.01 1gqg s SER 252 Ca -0.01 -0.48 0.03 0.00 0.48 0.00 0.00 55.95 55.97 1gqg s SER 252 Cb -0.02 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.51 1gqg s SER 252 CO -0.00 -0.85 0.15 0.42 0.98 0.00 0.00 173.24 173.94 1gqg s THR 253 N -2.67 4.85 -0.12 2.02 -4.23 -0.76 0.18 115.64 114.91 1gqg s THR 253 Ca 0.17 -0.72 0.01 0.00 -1.18 0.00 0.00 61.69 59.97 1gqg s THR 253 Cb -0.01 -3.39 0.02 0.00 1.34 0.00 0.00 72.50 70.45 1gqg s THR 253 CO 0.03 0.05 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.40 1gqg s ILE 254 N -1.54 1.42 -0.03 2.99 1.01 -0.20 -0.95 121.20 123.90 1gqg s ILE 254 Ca 0.32 -0.57 -0.02 0.00 0.00 0.00 0.00 60.65 60.38 1gqg s ILE 254 Cb -0.12 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 1gqg s ILE 254 CO 0.25 0.43 0.10 -0.44 0.00 0.00 0.00 174.94 175.28 1gqg s SER 255 N 1.27 5.87 0.00 3.58 0.01 0.40 -0.77 113.70 124.05 1gqg s SER 255 Ca -0.01 0.23 0.01 0.00 1.31 0.00 0.00 55.95 57.49 1gqg s SER 255 Cb -0.14 -1.75 -0.01 0.00 0.21 0.00 0.00 66.02 64.34 1gqg s SER 255 CO -0.06 0.30 -0.04 -0.04 0.41 0.00 0.00 173.24 173.81 1gqg s MET 256 N -1.61 0.35 0.65 12.44 1.00 0.81 -0.49 119.30 132.44 1gqg s MET 256 Ca 0.22 -0.22 -0.00 0.00 0.00 0.00 0.00 55.69 55.69 1gqg s MET 256 Cb -0.12 -0.30 0.13 0.00 0.00 0.00 0.00 34.83 34.53 1gqg s MET 256 CO 0.12 0.08 0.89 -1.13 0.00 0.00 0.00 175.02 174.98 1gqg n SER 257 N 2.80 1.21 -4.77 3.03 3.41 -0.17 -1.93 113.62 117.19 1gqg n SER 257 Ca -0.14 -2.02 -0.29 0.00 -0.26 0.00 0.00 58.87 56.17 1gqg n SER 257 Cb 0.58 -0.57 0.13 0.00 -0.26 0.00 0.00 64.21 64.09 1gqg n SER 257 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1gqg s THR 258 N -2.72 2.21 -0.28 6.66 -4.23 -1.26 -4.31 115.64 111.71 1gqg s THR 258 Ca 0.59 0.07 -0.19 0.00 -1.18 0.00 0.00 61.69 60.98 1gqg s THR 258 Cb -0.03 -2.78 -0.02 0.00 1.34 0.00 0.00 72.50 71.01 1gqg s THR 258 CO 0.39 -0.09 0.55 -0.89 -0.54 0.00 0.00 174.62 174.04 1gqg s THR 259 N -3.21 5.03 0.75 3.99 2.01 -1.26 -4.50 115.64 118.45 1gqg s THR 259 Ca 0.63 0.83 -0.05 0.00 0.31 0.00 0.00 61.69 63.41 1gqg s THR 259 Cb -0.15 -3.89 0.12 0.00 0.01 0.00 0.00 72.50 68.59 1gqg s THR 259 CO 0.54 -0.01 1.05 -2.16 -0.69 0.00 0.00 174.62 173.35 1gqg s PRO 260 N 2.40 1.65 0.15 4.92 0.04 -1.26 -4.95 135.00 137.95 1gqg s PRO 260 Ca 0.22 -0.74 -0.34 0.00 0.04 0.00 0.00 61.00 60.18 1gqg s PRO 260 Cb -0.15 -2.21 -0.16 0.00 0.04 0.00 0.00 34.50 32.02 1gqg s PRO 260 CO 0.10 -1.54 1.21 0.45 0.04 0.00 0.00 177.00 177.26 1gqg n SER 261 N -3.01 1.42 0.00 6.66 2.88 -1.26 -1.59 113.62 118.71 1gqg n SER 261 Ca 0.13 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.80 1gqg n SER 261 Cb 0.60 -1.21 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 1gqg n SER 261 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1gqg n THR 262 N 1.74 0.00 -3.48 2.46 -2.24 -1.26 -5.02 114.28 106.49 1gqg n THR 262 Ca 0.16 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.57 1gqg n THR 262 Cb 0.23 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.40 1gqg n THR 262 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1gqg s VAL 263 N -2.71 5.24 -0.13 2.28 1.01 -0.62 -5.08 120.40 120.40 1gqg s VAL 263 Ca 0.00 0.70 -0.07 0.00 0.00 0.00 0.00 61.98 62.61 1gqg s VAL 263 Cb 0.00 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1gqg s VAL 263 CO 0.00 0.40 0.11 -0.89 0.00 0.00 0.00 175.10 174.73 1gqg s THR 264 N 0.25 5.29 0.03 3.92 2.01 -1.26 -4.70 115.64 121.18 1gqg s THR 264 Ca 0.20 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 62.03 1gqg s THR 264 Cb -0.14 -3.31 -0.08 0.00 0.01 0.00 0.00 72.50 68.98 1gqg s THR 264 CO 0.07 0.59 1.76 -0.69 -0.69 0.00 0.00 174.62 175.67 1gqg s VAL 265 N -0.80 3.14 0.61 3.82 1.01 -1.26 -4.94 120.40 121.98 1gqg s VAL 265 Ca 0.13 0.37 -0.13 0.00 0.00 0.00 0.00 61.98 62.36 1gqg s VAL 265 Cb -0.12 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1gqg s VAL 265 CO 0.03 -0.02 1.03 -2.16 0.00 0.00 0.00 175.10 173.98 1gqg s PRO 266 N 3.60 3.47 -0.14 2.72 0.04 -1.26 -5.02 135.00 138.40 1gqg s PRO 266 Ca 0.79 0.92 -0.07 0.00 0.04 0.00 0.00 61.00 62.68 1gqg s PRO 266 Cb -0.39 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 1gqg s PRO 266 CO 0.35 -0.67 0.09 0.99 0.04 0.00 0.00 177.00 177.79 1gqg s THR 267 N -2.91 5.06 0.22 1.26 2.01 -1.26 -4.52 115.64 115.51 1gqg s THR 267 Ca 0.58 0.05 0.11 0.00 0.31 0.00 0.00 61.69 62.74 1gqg s THR 267 Cb -0.12 -3.23 -0.05 0.00 0.01 0.00 0.00 72.50 69.11 1gqg s THR 267 CO 0.46 0.55 -0.19 0.26 -0.69 0.00 0.00 174.62 175.01 1gqg s TRP 268 N -0.40 2.37 -0.24 4.92 0.52 0.94 -4.94 118.94 122.10 1gqg s TRP 268 Ca 0.10 -0.32 -0.12 0.00 0.02 0.00 0.00 56.10 55.78 1gqg s TRP 268 Cb -0.12 -1.12 0.08 0.00 -1.15 0.00 0.00 33.47 31.16 1gqg s TRP 268 CO 0.02 0.57 0.58 0.45 0.02 0.00 0.00 176.95 178.58 1gqg s SER 269 N -2.99 -0.78 0.07 2.95 0.15 -1.26 -1.00 113.70 110.84 1gqg s SER 269 Ca 0.25 1.29 0.03 0.00 0.70 0.00 0.00 55.95 58.22 1gqg s SER 269 Cb -0.07 1.33 -0.03 0.00 -1.71 0.00 0.00 66.02 65.54 1gqg s SER 269 CO 0.13 -0.22 -0.09 -0.36 1.20 0.00 0.00 173.24 173.89 1gqg s PHE 270 N 1.84 0.86 0.27 3.44 0.08 -1.26 -4.98 117.98 118.23 1gqg s PHE 270 Ca -0.09 -0.59 0.01 0.00 0.12 0.00 0.00 56.93 56.39 1gqg s PHE 270 Cb -0.08 -0.50 0.36 0.00 -0.57 0.00 0.00 43.02 42.24 1gqg s PHE 270 CO -0.17 -0.05 1.69 -1.00 -0.10 0.00 0.00 175.22 175.59 1gqg h PRO 271 N 4.05 0.51 -6.39 0.24 0.14 -1.92 0.52 132.00 129.15 1gqg h PRO 271 Ca -0.37 -0.20 -0.54 0.00 0.14 0.00 0.00 66.00 65.03 1gqg h PRO 271 Cb 1.19 -0.02 -0.02 0.00 0.14 0.00 0.00 31.00 32.29 1gqg h PRO 271 CO 0.46 0.74 -0.18 0.20 0.14 0.00 0.00 178.00 179.36 1gqg s GLY 272 N -4.01 2.06 0.71 1.56 0.00 -1.25 -3.87 107.32 102.52 1gqg s GLY 272 Ca -0.07 -0.49 -0.16 0.00 0.00 0.00 0.00 44.72 44.00 1gqg s GLY 272 CO 0.80 -0.39 1.20 0.00 0.00 0.00 0.00 173.10 174.71 1gqg n ALA 273 N -0.47 0.50 -2.77 3.20 0.00 -1.26 -3.95 120.51 115.75 1gqg n ALA 273 Ca -0.01 -0.14 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 1gqg n ALA 273 Cb 0.53 -2.26 -0.06 0.00 0.00 0.00 0.00 19.45 17.66 1gqg n ALA 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gqg s ALA 275 N -3.93 -1.19 0.03 0.00 0.00 -0.27 -0.70 121.76 115.70 1gqg s ALA 275 Ca 0.13 0.31 -0.05 0.00 0.00 0.00 0.00 51.96 52.35 1gqg s ALA 275 Cb 0.03 0.58 -0.01 0.00 0.00 0.00 0.00 23.12 23.72 1gqg s ALA 275 CO -0.03 -0.60 0.08 -0.59 0.00 0.00 0.00 175.76 174.62 1gqg s PHE 276 N -3.17 0.19 -0.16 0.00 -0.12 -0.61 -1.42 117.98 112.69 1gqg s PHE 276 Ca -0.01 -0.45 0.01 0.00 -0.05 0.00 0.00 56.93 56.43 1gqg s PHE 276 Cb 0.00 -0.14 0.01 0.00 -0.63 0.00 0.00 43.02 42.26 1gqg s PHE 276 CO -0.07 -0.31 -0.18 -1.14 -0.05 0.00 0.00 175.22 173.46 1gqg s GLN 277 N -2.15 3.08 0.17 1.99 0.74 -0.10 -1.02 119.66 122.38 1gqg s GLN 277 Ca -0.09 -0.81 -0.31 0.00 0.05 0.00 0.00 55.36 54.21 1gqg s GLN 277 Cb -0.04 -2.57 -0.09 0.00 1.10 0.00 0.00 33.01 31.41 1gqg s GLN 277 CO -0.03 -0.09 1.45 0.08 -0.55 0.00 0.00 175.29 176.16 1gqg s VAL 278 N 1.03 2.91 -0.26 1.34 1.01 -0.43 -0.60 120.40 125.41 1gqg s VAL 278 Ca -0.02 0.69 -0.06 0.00 0.00 0.00 0.00 61.98 62.59 1gqg s VAL 278 Cb -0.15 -3.44 -0.14 0.00 0.00 0.00 0.00 36.38 32.66 1gqg s VAL 278 CO -0.05 0.07 -0.28 0.00 0.00 0.00 0.00 175.10 174.84 1gqg n GLN 279 N 3.42 0.60 -3.90 2.72 1.13 0.32 -0.16 117.38 121.51 1gqg n GLN 279 Ca 0.11 0.20 -0.11 0.00 -1.94 0.00 0.00 57.00 55.25 1gqg n GLN 279 Cb 0.41 -1.47 -0.13 0.00 0.11 0.00 0.00 30.24 29.15 1gqg n GLN 279 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1gqg s GLU 280 N -2.49 0.14 0.15 -1.09 2.12 -0.89 -4.69 118.70 111.94 1gqg s GLU 280 Ca -0.36 -0.18 0.00 0.00 0.36 0.00 0.00 54.97 54.79 1gqg s GLU 280 Cb 0.12 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.56 1gqg s GLU 280 CO 0.52 -0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.63 1gqg n GLY 281 N 2.55 -1.85 2.67 -1.50 0.00 -1.26 -1.12 105.19 104.68 1gqg n GLY 281 Ca -0.16 -1.96 -0.21 0.00 0.00 0.00 0.00 46.02 43.68 1gqg n GLY 281 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gqg s ARG 282 N 0.00 -0.03 -0.09 1.61 0.52 -1.26 -4.34 118.95 115.37 1gqg s ARG 282 Ca 0.00 0.28 0.03 0.00 -0.52 0.00 0.00 55.73 55.52 1gqg s ARG 282 Cb 0.00 -0.84 0.01 0.00 0.52 0.00 0.00 34.95 34.64 1gqg s ARG 282 CO 0.00 -0.42 -0.18 0.08 0.02 0.00 0.00 175.30 174.80 1gqg s VAL 283 N 2.18 1.60 -0.15 3.52 1.01 -0.74 -0.69 120.40 127.12 1gqg s VAL 283 Ca 0.04 -0.74 -0.14 0.00 0.00 0.00 0.00 61.98 61.14 1gqg s VAL 283 Cb -0.13 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 1gqg s VAL 283 CO -0.05 0.46 0.30 -0.69 0.00 0.00 0.00 175.10 175.11 1gqg s VAL 284 N 0.57 5.30 0.00 2.92 1.01 0.19 0.17 120.40 130.56 1gqg s VAL 284 Ca -0.15 0.56 0.07 0.00 0.00 0.00 0.00 61.98 62.45 1gqg s VAL 284 Cb -0.17 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1gqg s VAL 284 CO 0.05 0.41 -0.21 0.54 0.00 0.00 0.00 175.10 175.89 1gqg s VAL 285 N 0.31 1.70 -0.10 2.92 0.11 -0.52 -1.51 120.40 123.31 1gqg s VAL 285 Ca 0.17 -1.02 -0.01 0.00 -2.93 0.00 0.00 61.98 58.19 1gqg s VAL 285 Cb -0.13 -1.44 0.03 0.00 -1.53 0.00 0.00 36.38 33.32 1gqg s VAL 285 CO 0.04 0.39 -0.01 -1.58 -3.33 0.00 0.00 175.10 170.62 1gqg s GLN 286 N -0.73 0.79 -0.08 1.54 0.74 0.71 -1.41 119.66 121.22 1gqg s GLN 286 Ca 0.08 -0.07 0.03 0.00 0.05 0.00 0.00 55.36 55.45 1gqg s GLN 286 Cb -0.08 -1.33 0.01 0.00 1.10 0.00 0.00 33.01 32.71 1gqg s GLN 286 CO 0.00 -0.37 -0.16 0.42 -0.55 0.00 0.00 175.29 174.63 1gqg s ILE 287 N 1.90 1.43 0.00 -2.34 1.01 -1.26 -0.71 121.20 121.22 1gqg s ILE 287 Ca 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1gqg s ILE 287 Cb -0.13 -1.27 0.00 0.00 0.01 0.00 0.00 42.46 41.07 1gqg s ILE 287 CO -0.06 0.42 0.00 0.61 0.00 0.00 0.00 174.94 175.91 1gqg n GLY 288 N 3.70 3.01 1.31 6.18 0.00 -0.04 -2.04 105.19 117.31 1gqg n GLY 288 Ca -0.22 -0.23 0.09 0.00 0.00 0.00 0.00 46.02 45.66 1gqg n GLY 288 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gqg n ASP 289 N 2.13 3.85 -4.86 1.61 5.68 -1.26 -4.97 116.55 118.73 1gqg n ASP 289 Ca 0.00 -2.25 -0.31 0.00 -0.50 0.00 0.00 54.79 51.73 1gqg n ASP 289 Cb 0.00 -0.49 -0.02 0.00 -1.14 0.00 0.00 41.12 39.47 1gqg n ASP 289 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1gqg s TYR 290 N -1.59 3.50 0.43 2.11 1.51 -0.87 -5.04 117.35 117.42 1gqg s TYR 290 Ca 0.43 1.27 -0.25 0.00 -1.01 0.00 0.00 57.07 57.51 1gqg s TYR 290 Cb 0.26 -2.65 -0.08 0.00 -0.11 0.00 0.00 41.96 39.38 1gqg s TYR 290 CO 0.23 -0.37 1.27 0.00 -1.11 0.00 0.00 175.55 175.57 1gqg s ALA 291 N -2.69 3.15 0.62 3.71 0.00 -1.26 -4.44 121.76 120.83 1gqg s ALA 291 Ca 0.55 1.16 -0.19 0.00 0.00 0.00 0.00 51.96 53.48 1gqg s ALA 291 Cb -0.10 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 1gqg s ALA 291 CO 0.37 -0.81 1.32 0.00 0.00 0.00 0.00 175.76 176.64 1gqg s ALA 292 N -1.33 2.52 -0.01 0.00 0.00 -1.26 -4.79 121.76 116.88 1gqg s ALA 292 Ca 0.60 1.27 -0.00 0.00 0.00 0.00 0.00 51.96 53.82 1gqg s ALA 292 Cb -0.36 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.21 1gqg s ALA 292 CO 0.45 -1.54 0.02 0.99 0.00 0.00 0.00 175.76 175.68 1gqg s THR 293 N -1.35 -0.02 -0.12 0.00 2.01 -0.50 -4.98 115.64 110.68 1gqg s THR 293 Ca 0.79 0.07 -0.18 0.00 0.31 0.00 0.00 61.69 62.68 1gqg s THR 293 Cb -0.39 -0.05 -0.04 0.00 0.01 0.00 0.00 72.50 72.03 1gqg s THR 293 CO 0.43 0.03 0.49 -0.70 -0.69 0.00 0.00 174.62 174.17 1gqg s GLU 294 N 0.36 4.34 -0.03 4.92 2.12 -1.26 -1.43 118.70 127.71 1gqg s GLU 294 Ca -0.03 0.46 -0.01 0.00 0.36 0.00 0.00 54.97 55.76 1gqg s GLU 294 Cb -0.04 -3.44 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 1gqg s GLU 294 CO -0.01 0.14 0.04 -0.51 -0.54 0.00 0.00 175.26 174.38 1gqg s LEU 295 N 0.68 3.72 0.00 2.70 1.02 0.13 -4.94 118.68 121.99 1gqg s LEU 295 Ca 0.26 0.11 0.00 0.00 0.02 0.00 0.00 54.13 54.53 1gqg s LEU 295 Cb -0.15 -2.06 0.00 0.00 0.02 0.00 0.00 46.19 44.00 1gqg s LEU 295 CO 0.10 0.31 0.00 0.61 0.02 0.00 0.00 176.35 177.39 1gqg n GLY 296 N 1.54 6.08 3.70 -3.19 0.00 -1.26 -1.79 105.19 110.26 1gqg n GLY 296 Ca -0.15 -2.11 -0.44 0.00 0.00 0.00 0.00 46.02 43.32 1gqg n GLY 296 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gqg n SER 297 N -0.47 3.47 0.00 1.61 3.41 -1.26 -1.56 113.62 118.81 1gqg n SER 297 Ca 0.00 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.70 1gqg n SER 297 Cb 0.00 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 62.45 1gqg n SER 297 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gqg n GLY 298 N 3.36 1.97 3.77 5.00 0.00 0.78 -4.57 105.19 115.49 1gqg n GLY 298 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1gqg n GLY 298 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gqg s ASP 299 N -3.44 6.36 -0.05 1.61 1.01 -0.60 -3.79 116.67 117.78 1gqg s ASP 299 Ca 0.00 2.26 0.06 0.00 0.71 0.00 0.00 52.55 55.59 1gqg s ASP 299 Cb 0.00 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 1gqg s ASP 299 CO 0.00 -0.78 -0.24 -0.69 0.21 0.00 0.00 175.17 173.67 1gqg s VAL 300 N -1.54 1.94 -0.06 -1.27 1.01 -0.36 -1.31 120.40 118.81 1gqg s VAL 300 Ca 0.61 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.62 1gqg s VAL 300 Cb -0.28 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 1gqg s VAL 300 CO 0.34 0.54 -0.21 0.00 0.00 0.00 0.00 175.10 175.77 1gqg s ALA 301 N -0.25 2.34 -0.09 5.51 0.00 -0.19 -1.00 121.76 128.08 1gqg s ALA 301 Ca -0.00 -1.02 0.04 0.00 0.00 0.00 0.00 51.96 50.98 1gqg s ALA 301 Cb -0.12 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.20 1gqg s ALA 301 CO 0.02 0.43 -0.23 0.12 0.00 0.00 0.00 175.76 176.11 1gqg s PHE 302 N -0.25 2.43 -0.23 0.00 5.36 0.36 -1.57 117.98 124.09 1gqg s PHE 302 Ca -0.00 -0.98 0.01 0.00 -0.96 0.00 0.00 56.93 55.00 1gqg s PHE 302 Cb -0.13 -1.63 0.05 0.00 -0.34 0.00 0.00 43.02 40.97 1gqg s PHE 302 CO 0.03 -0.39 -0.10 0.42 -1.46 0.00 0.00 175.22 173.72 1gqg s ILE 303 N 0.35 1.79 0.60 3.12 1.09 0.12 -2.56 121.20 125.70 1gqg s ILE 303 Ca -0.18 -1.25 -0.19 0.00 -1.10 0.00 0.00 60.65 57.93 1gqg s ILE 303 Cb -0.18 -1.91 -0.03 0.00 -1.06 0.00 0.00 42.46 39.28 1gqg s ILE 303 CO 0.08 0.06 1.21 -2.65 -0.10 0.00 0.00 174.94 173.54 1gqg n PRO 304 N 4.60 1.22 -1.69 2.79 -0.02 -1.26 -1.52 135.00 139.12 1gqg n PRO 304 Ca -0.14 0.46 -0.44 0.00 -2.02 0.00 0.00 63.50 61.37 1gqg n PRO 304 Cb 0.45 -2.43 -0.02 0.00 -0.02 0.00 0.00 33.50 31.47 1gqg n PRO 304 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gqg n GLY 305 N 0.99 0.80 2.17 -1.23 0.00 -1.25 -2.31 105.19 104.35 1gqg n GLY 305 Ca 0.14 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1gqg n GLY 305 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gqg n GLY 306 N 1.81 1.22 3.77 -0.02 0.00 0.18 -4.88 105.19 107.27 1gqg n GLY 306 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1gqg n GLY 306 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gqg s VAL 307 N -3.25 5.31 0.36 1.61 1.01 -0.98 -4.88 120.40 119.58 1gqg s VAL 307 Ca 0.00 0.50 -0.27 0.00 0.00 0.00 0.00 61.98 62.21 1gqg s VAL 307 Cb 0.00 -3.58 -0.09 0.00 0.00 0.00 0.00 36.38 32.71 1gqg s VAL 307 CO 0.00 0.47 1.18 -1.61 0.00 0.00 0.00 175.10 175.14 1gqg s GLU 308 N -0.09 4.24 0.07 2.72 2.02 -1.26 -4.62 118.70 121.79 1gqg s GLU 308 Ca 0.16 1.91 -0.12 0.00 0.02 0.00 0.00 54.97 56.95 1gqg s GLU 308 Cb -0.13 -2.86 0.01 0.00 0.10 0.00 0.00 34.13 31.25 1gqg s GLU 308 CO 0.05 -0.18 0.27 -0.59 0.02 0.00 0.00 175.26 174.82 1gqg s PHE 309 N -1.31 -0.01 0.01 1.61 -0.71 -0.17 -0.86 117.98 116.54 1gqg s PHE 309 Ca 0.53 -0.27 0.02 0.00 -1.04 0.00 0.00 56.93 56.17 1gqg s PHE 309 Cb -0.33 0.05 -0.01 0.00 -1.21 0.00 0.00 43.02 41.53 1gqg s PHE 309 CO 0.42 -0.54 -0.06 0.15 -1.34 0.00 0.00 175.22 173.85 1gqg s LYS 310 N -3.22 0.47 0.03 1.99 1.02 0.11 -0.04 119.74 120.09 1gqg s LYS 310 Ca -0.00 -0.33 -0.02 0.00 0.02 0.00 0.00 55.97 55.64 1gqg s LYS 310 Cb 0.02 -0.40 -0.02 0.00 -0.52 0.00 0.00 37.83 36.90 1gqg s LYS 310 CO -0.08 0.10 0.01 1.52 -0.92 0.00 0.00 175.35 175.99 1gqg s TYR 311 N -0.42 0.30 0.17 3.18 1.13 -1.26 -0.21 117.35 120.23 1gqg s TYR 311 Ca -0.01 -0.63 -0.20 0.00 -1.41 0.00 0.00 57.07 54.82 1gqg s TYR 311 Cb -0.04 -0.22 0.05 0.00 -1.10 0.00 0.00 41.96 40.65 1gqg s TYR 311 CO -0.00 -0.29 0.54 1.52 -2.51 0.00 0.00 175.55 174.81 1gqg s TYR 312 N -2.36 -0.35 -0.22 -3.49 -0.85 -0.57 -4.83 117.35 104.68 1gqg s TYR 312 Ca -0.07 0.06 -0.12 0.00 -0.52 0.00 0.00 57.07 56.42 1gqg s TYR 312 Cb -0.03 0.46 -0.05 0.00 0.38 0.00 0.00 41.96 42.72 1gqg s TYR 312 CO -0.04 -0.85 0.24 0.45 -1.52 0.00 0.00 175.55 173.83 1gqg s SER 313 N -2.80 6.24 0.04 -0.18 0.15 -1.26 -0.63 113.70 115.25 1gqg s SER 313 Ca 0.04 0.26 0.05 0.00 0.70 0.00 0.00 55.95 57.00 1gqg s SER 313 Cb -0.01 -2.15 -0.24 0.00 -1.71 0.00 0.00 66.02 61.92 1gqg s SER 313 CO -0.09 0.03 1.00 -0.08 1.20 0.00 0.00 173.24 175.29 1gqg h GLU 314 N 7.39 0.09 -7.14 5.44 4.57 -1.27 -3.41 114.58 120.25 1gqg h GLU 314 Ca -0.38 -0.15 -0.49 0.00 -1.18 0.00 0.00 59.36 57.16 1gqg h GLU 314 Cb 1.17 0.06 0.06 0.00 -0.16 0.00 0.00 28.75 29.88 1gqg h GLU 314 CO 0.69 0.92 0.39 0.00 -1.18 0.00 0.00 179.01 179.83 1gqg s ALA 315 N -2.65 2.71 0.53 2.92 0.00 -1.11 -4.93 121.76 119.23 1gqg s ALA 315 Ca -0.04 0.57 0.29 0.00 0.00 0.00 0.00 51.96 52.78 1gqg s ALA 315 Cb 0.08 -3.28 1.68 0.00 0.00 0.00 0.00 23.12 21.60 1gqg s ALA 315 CO 0.83 -0.76 2.19 1.88 0.00 0.00 0.00 175.76 179.90 1gqg h TYR 316 N 0.81 0.00 -2.87 0.00 0.05 -1.91 -3.39 116.97 109.65 1gqg h TYR 316 Ca -0.48 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.12 1gqg h TYR 316 Cb 1.23 0.00 -0.29 0.00 1.01 0.00 0.00 36.73 38.68 1gqg h TYR 316 CO 0.56 0.05 -0.44 0.12 -1.05 0.00 0.00 178.16 177.39 1gqg s PHE 317 N -4.47 -0.44 0.14 4.88 2.19 -1.26 -4.04 117.98 114.97 1gqg s PHE 317 Ca -0.04 0.98 0.05 0.00 0.33 0.00 0.00 56.93 58.26 1gqg s PHE 317 Cb 0.14 0.10 -0.04 0.00 -1.31 0.00 0.00 43.02 41.91 1gqg s PHE 317 CO 0.56 -0.30 -0.13 -1.12 1.83 0.00 0.00 175.22 176.07 1gqg s SER 318 N 1.57 1.95 -0.02 6.13 0.01 -0.82 -4.35 113.70 118.18 1gqg s SER 318 Ca -0.07 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.30 1gqg s SER 318 Cb -0.10 -0.05 0.02 0.00 0.21 0.00 0.00 66.02 66.10 1gqg s SER 318 CO -0.10 -0.21 0.02 -0.75 0.41 0.00 0.00 173.24 172.61 1gqg s LYS 319 N -3.08 0.00 0.14 12.44 2.20 -0.27 -0.14 119.74 131.03 1gqg s LYS 319 Ca 0.12 0.14 0.08 0.00 -0.36 0.00 0.00 55.97 55.95 1gqg s LYS 319 Cb -0.02 -0.23 -0.04 0.00 -1.51 0.00 0.00 37.83 36.03 1gqg s LYS 319 CO 0.02 -0.14 -0.17 0.14 -0.36 0.00 0.00 175.35 174.85 1gqg s VAL 320 N 0.89 1.64 -0.15 4.02 -7.23 0.05 -0.52 120.40 119.09 1gqg s VAL 320 Ca -0.08 -1.79 -0.17 0.00 -1.81 0.00 0.00 61.98 58.13 1gqg s VAL 320 Cb -0.11 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 1gqg s VAL 320 CO -0.02 -0.31 0.44 -0.22 -0.31 0.00 0.00 175.10 174.68 1gqg s LEU 321 N -2.47 4.23 -0.04 1.32 2.96 0.24 -1.03 118.68 123.88 1gqg s LEU 321 Ca 0.12 0.70 0.04 0.00 -0.22 0.00 0.00 54.13 54.77 1gqg s LEU 321 Cb -0.06 -2.62 -0.00 0.00 0.50 0.00 0.00 46.19 44.01 1gqg s LEU 321 CO 0.05 -0.03 -0.15 0.12 -1.32 0.00 0.00 176.35 175.02 1gqg s PHE 322 N 0.87 1.57 -0.02 5.38 5.36 0.13 -0.93 117.98 130.34 1gqg s PHE 322 Ca 0.23 -0.46 0.03 0.00 -0.96 0.00 0.00 56.93 55.78 1gqg s PHE 322 Cb -0.15 -1.07 -0.00 0.00 -0.34 0.00 0.00 43.02 41.46 1gqg s PHE 322 CO 0.09 -0.17 -0.11 0.54 -1.46 0.00 0.00 175.22 174.11 1gqg s VAL 323 N 0.12 0.87 -0.01 3.12 0.11 -0.51 -1.26 120.40 122.84 1gqg s VAL 323 Ca -0.05 -0.45 0.01 0.00 -2.93 0.00 0.00 61.98 58.56 1gqg s VAL 323 Cb -0.11 -0.74 0.01 0.00 -1.53 0.00 0.00 36.38 34.00 1gqg s VAL 323 CO 0.02 0.25 -0.01 -0.55 -3.33 0.00 0.00 175.10 171.48 1gqg s SER 324 N -0.11 0.31 0.08 3.54 0.15 -0.53 -1.11 113.70 116.04 1gqg s SER 324 Ca 0.02 -0.03 -0.26 0.00 0.70 0.00 0.00 55.95 56.37 1gqg s SER 324 Cb -0.06 -0.10 -0.06 0.00 -1.71 0.00 0.00 66.02 64.09 1gqg s SER 324 CO -0.00 -0.03 0.82 -0.55 1.20 0.00 0.00 173.24 174.68 1gqg s SER 325 N 0.41 7.31 0.00 5.45 0.15 0.17 -1.03 113.70 126.16 1gqg s SER 325 Ca -0.04 1.56 0.00 0.00 0.70 0.00 0.00 55.95 58.17 1gqg s SER 325 Cb -0.06 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1gqg s SER 325 CO -0.01 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1gqg n GLY 326 N 2.25 1.82 0.05 9.45 0.00 0.10 -3.92 105.19 114.93 1gqg n GLY 326 Ca -0.02 -2.03 0.12 0.00 0.00 0.00 0.00 46.02 44.09 1gqg n GLY 326 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gqg n SER 327 N 0.00 0.64 -2.58 1.61 3.41 -1.26 -3.69 113.62 111.76 1gqg n SER 327 Ca 0.00 -0.04 -0.15 0.00 -0.26 0.00 0.00 58.87 58.42 1gqg n SER 327 Cb 0.00 0.38 0.02 0.00 -0.26 0.00 0.00 64.21 64.35 1gqg n SER 327 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1gqg n ASP 328 N -1.98 2.79 -2.54 4.04 8.00 -1.26 -4.86 116.55 120.74 1gqg n ASP 328 Ca 0.03 -3.07 -0.08 0.00 0.71 0.00 0.00 54.79 52.39 1gqg n ASP 328 Cb 0.42 -0.49 0.06 0.00 -0.02 0.00 0.00 41.12 41.09 1gqg n ASP 328 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gqg n GLY 329 N -0.28 -1.45 0.22 0.44 0.00 -1.26 -4.64 105.19 98.22 1gqg n GLY 329 Ca 0.21 -1.64 -0.00 0.00 0.00 0.00 0.00 46.02 44.59 1gqg n GLY 329 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1gqg h LEU 330 N 0.00 -0.29 -0.42 0.99 5.85 -1.97 -0.62 115.31 118.85 1gqg h LEU 330 Ca -0.11 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1gqg h LEU 330 Cb 0.31 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1gqg h LEU 330 CO 0.08 -0.11 0.20 -2.24 -0.34 0.00 0.00 178.44 176.02 1gqg h ASP 331 N 0.10 0.54 -0.26 1.25 2.03 -1.98 0.29 116.42 118.39 1gqg h ASP 331 Ca 0.29 -0.13 -0.07 0.00 -0.73 0.00 0.00 57.03 56.40 1gqg h ASP 331 Cb 0.47 -0.14 -0.02 0.00 -0.83 0.00 0.00 39.33 38.81 1gqg h ASP 331 CO -0.50 0.52 -0.05 -0.61 -1.03 0.00 0.00 179.24 177.56 1gqg h GLN 332 N 0.53 0.63 -0.27 4.15 5.75 -1.79 -0.37 115.11 123.73 1gqg h GLN 332 Ca 0.14 -0.17 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 1gqg h GLN 332 Cb 0.12 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 1gqg h GLN 332 CO -0.02 0.69 0.14 -0.97 -2.65 0.00 0.00 178.83 176.01 1gqg h ASN 333 N 0.58 0.35 -0.69 -0.69 -0.73 -0.44 0.67 115.58 114.63 1gqg h ASN 333 Ca 0.11 -0.11 -0.03 0.00 1.87 0.00 0.00 56.30 58.15 1gqg h ASN 333 Cb 0.45 -0.09 -0.03 0.00 0.27 0.00 0.00 38.32 38.92 1gqg h ASN 333 CO 0.02 0.36 0.33 -0.07 -0.37 0.00 0.00 177.43 177.70 1gqg h LEU 334 N 0.31 0.90 -0.08 0.34 3.38 -0.64 -0.92 115.31 118.60 1gqg h LEU 334 Ca 0.09 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1gqg h LEU 334 Cb 0.10 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1gqg h LEU 334 CO -0.01 0.79 0.06 0.58 0.09 0.00 0.00 178.44 179.94 1gqg h VAL 335 N 0.96 1.02 -0.18 1.22 2.07 -0.82 -1.64 116.25 118.89 1gqg h VAL 335 Ca 0.24 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 1gqg h VAL 335 Cb 0.12 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1gqg h VAL 335 CO -0.03 0.02 0.06 0.78 0.02 0.00 0.00 177.57 178.43 1gqg h ASN 336 N 0.11 0.21 -0.14 0.57 -0.26 -0.57 -1.32 115.58 114.19 1gqg h ASN 336 Ca 0.03 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 1gqg h ASN 336 Cb -0.01 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.19 1gqg h ASN 336 CO -0.01 0.21 0.00 0.61 -1.06 0.00 0.00 177.43 177.18 1gqg n GLY 337 N -1.37 0.31 0.00 2.83 0.00 -0.38 -4.93 105.19 101.66 1gqg n GLY 337 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1gqg n GLY 337 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gqg n GLY 338 N 1.17 7.62 3.01 -0.02 0.00 -0.50 -4.67 105.19 111.80 1gqg n GLY 338 Ca 0.17 -2.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.05 1gqg n GLY 338 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gqg s GLU 339 N 0.88 0.39 0.50 1.61 0.41 -0.45 -4.95 118.70 117.09 1gqg s GLU 339 Ca 0.00 -0.70 -0.22 0.00 -0.41 0.00 0.00 54.97 53.64 1gqg s GLU 339 Cb 0.00 0.03 -0.07 0.00 -1.78 0.00 0.00 34.13 32.30 1gqg s GLU 339 CO 0.00 -0.03 1.11 0.39 -0.49 0.00 0.00 175.26 176.24 1gqg n GLU 340 N 1.43 1.39 -3.81 1.61 1.02 -1.26 -0.46 120.64 120.56 1gqg n GLU 340 Ca -0.23 0.51 -0.12 0.00 -0.02 0.00 0.00 57.16 57.30 1gqg n GLU 340 Cb 0.55 -2.25 -0.10 0.00 -0.02 0.00 0.00 31.44 29.62 1gqg n GLU 340 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 1gqg s TRP 341 N -1.34 -0.14 -0.56 -0.32 -0.11 -0.07 -4.68 118.94 111.72 1gqg s TRP 341 Ca 0.68 0.29 0.14 0.00 1.22 0.00 0.00 56.10 58.43 1gqg s TRP 341 Cb -0.47 0.05 0.42 0.00 -1.50 0.00 0.00 33.47 31.96 1gqg s TRP 341 CO 0.53 -0.25 1.34 -1.13 -4.62 0.00 0.00 176.95 172.81 1gqg n SER 342 N 1.99 3.41 -4.10 5.86 3.41 -1.26 -3.95 113.62 118.98 1gqg n SER 342 Ca -0.18 -2.50 -0.16 0.00 -0.26 0.00 0.00 58.87 55.77 1gqg n SER 342 Cb 0.57 -0.39 -0.12 0.00 -0.26 0.00 0.00 64.21 64.01 1gqg n SER 342 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1gqg s SER 343 N -1.44 1.20 0.27 4.04 0.15 -1.26 -5.01 113.70 111.65 1gqg s SER 343 Ca 0.32 -0.53 0.25 0.00 0.70 0.00 0.00 55.95 56.70 1gqg s SER 343 Cb 0.23 -0.02 0.90 0.00 -1.71 0.00 0.00 66.02 65.42 1gqg s SER 343 CO 0.12 -0.11 1.75 -0.37 1.20 0.00 0.00 173.24 175.84 1gqg h VAL 344 N 4.47 0.00 -2.94 4.45 -1.51 -1.94 -3.44 116.25 115.34 1gqg h VAL 344 Ca -0.37 -0.40 -0.62 0.00 -1.23 0.00 0.00 66.70 64.08 1gqg h VAL 344 Cb 1.19 1.29 -0.04 0.00 -2.13 0.00 0.00 31.29 31.60 1gqg h VAL 344 CO 0.42 0.00 -0.47 -0.44 -1.23 0.00 0.00 177.57 175.84 1gqg s SER 345 N -4.60 6.38 0.56 4.19 0.01 -1.26 -5.02 113.70 113.96 1gqg s SER 345 Ca 0.07 0.32 -0.01 0.00 1.31 0.00 0.00 55.95 57.63 1gqg s SER 345 Cb 0.10 -1.98 0.03 0.00 0.21 0.00 0.00 66.02 64.38 1gqg s SER 345 CO 0.51 0.16 0.81 0.72 0.41 0.00 0.00 173.24 175.84 1gqg s PHE 346 N -1.52 3.00 0.70 2.43 -0.12 -1.26 -5.02 117.98 116.19 1gqg s PHE 346 Ca 0.35 0.20 -0.16 0.00 -0.05 0.00 0.00 56.93 57.27 1gqg s PHE 346 Cb -0.13 -2.73 -0.00 0.00 -0.63 0.00 0.00 43.02 39.53 1gqg s PHE 346 CO 0.27 -0.84 0.98 -2.30 -0.05 0.00 0.00 175.22 173.28 1gqg n PRO 347 N -2.41 0.60 0.01 1.99 -0.02 -1.26 -4.89 135.00 129.02 1gqg n PRO 347 Ca 0.06 0.26 0.14 0.00 -2.02 0.00 0.00 63.50 61.93 1gqg n PRO 347 Cb 0.59 -2.23 0.56 0.00 -0.02 0.00 0.00 33.50 32.40 1gqg n PRO 347 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gqg n ALA 348 N -2.36 2.43 -2.46 3.55 0.00 -1.26 -4.80 120.51 115.60 1gqg n ALA 348 Ca 0.13 -0.11 -0.26 0.00 0.00 0.00 0.00 53.44 53.20 1gqg n ALA 348 Cb 0.49 -1.44 -0.13 0.00 0.00 0.00 0.00 19.45 18.37 1gqg n ALA 348 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1gqg s ASP 349 N -3.19 2.84 0.00 0.00 1.01 -1.26 -5.29 116.67 110.78 1gqg s ASP 349 Ca 0.13 -0.67 0.24 0.00 0.71 0.00 0.00 52.55 52.97 1gqg s ASP 349 Cb 0.18 -0.19 1.46 0.00 1.01 0.00 0.00 42.92 45.38 1gqg s ASP 349 CO 0.55 0.13 1.82 0.79 0.21 0.00 0.00 175.17 178.68