#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gqg s SER 4 N 0.00 -0.93 0.33 6.43 0.15 -1.26 -5.02 113.70 113.40 1gqg s SER 4 Ca 0.00 1.33 0.04 0.00 0.70 0.00 0.00 55.95 58.03 1gqg s SER 4 Cb 0.00 1.87 0.66 0.00 -1.71 0.00 0.00 66.02 66.85 1gqg s SER 4 CO 0.00 -0.19 1.90 0.25 1.20 0.00 0.00 173.24 176.40 1gqg h LEU 5 N 7.50 0.78 -9.49 3.45 5.85 -1.94 -3.41 115.31 118.05 1gqg h LEU 5 Ca -0.21 0.02 -0.54 0.00 0.84 0.00 0.00 57.88 57.99 1gqg h LEU 5 Cb 1.14 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1gqg h LEU 5 CO 0.12 0.46 0.20 -0.63 -0.34 0.00 0.00 178.44 178.25 1gqg s ILE 6 N -5.80 4.79 0.14 4.05 1.01 -1.26 -1.33 121.20 122.81 1gqg s ILE 6 Ca -0.11 1.70 0.06 0.00 0.00 0.00 0.00 60.65 62.30 1gqg s ILE 6 Cb 0.21 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 1gqg s ILE 6 CO 0.79 0.31 -0.13 0.68 0.00 0.00 0.00 174.94 176.59 1gqg s VAL 7 N 0.27 1.37 -0.15 2.92 -7.23 -0.45 -4.94 120.40 112.20 1gqg s VAL 7 Ca 0.41 -1.89 0.20 0.00 -1.81 0.00 0.00 61.98 58.89 1gqg s VAL 7 Cb -0.20 -1.70 -0.14 0.00 0.56 0.00 0.00 36.38 34.89 1gqg s VAL 7 CO 0.23 -0.53 0.76 -0.62 -0.31 0.00 0.00 175.10 174.64 1gqg n GLU 8 N 0.19 0.63 -4.09 4.82 -0.58 -1.26 -4.34 120.64 116.02 1gqg n GLU 8 Ca -0.13 0.09 -0.13 0.00 -0.42 0.00 0.00 57.16 56.57 1gqg n GLU 8 Cb 0.58 -1.73 -0.11 0.00 -0.57 0.00 0.00 31.44 29.61 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 -5.37 0.96 0.32 1.62 1.01 -1.26 -1.28 116.67 112.66 1gqg s ASP 9 Ca -0.04 -0.62 -0.29 0.00 0.71 0.00 0.00 52.55 52.31 1gqg s ASP 9 Cb 0.10 0.04 -0.12 0.00 1.01 0.00 0.00 42.92 43.95 1gqg s ASP 9 CO 0.83 -0.23 1.53 0.00 0.21 0.00 0.00 175.17 177.50 1gqg n ALA 10 N 1.23 2.30 -0.85 5.23 0.00 -1.26 -4.94 120.51 122.22 1gqg n ALA 10 Ca -0.21 0.37 -0.32 0.00 0.00 0.00 0.00 53.44 53.28 1gqg n ALA 10 Cb 0.55 -2.42 0.15 0.00 0.00 0.00 0.00 19.45 17.73 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 -1.06 1.27 -0.09 0.00 0.02 -1.26 -4.91 135.00 128.97 1gqg s PRO 11 Ca 0.61 1.60 0.06 0.00 0.02 0.00 0.00 61.00 63.28 1gqg s PRO 11 Cb -0.51 -1.75 0.32 0.00 0.02 0.00 0.00 34.50 32.58 1gqg s PRO 11 CO 0.54 -2.46 0.99 -0.40 -0.33 0.00 0.00 177.00 175.34 1gqg n ASP 12 N -3.90 2.78 -3.73 2.53 5.68 -1.26 -3.47 116.55 115.18 1gqg n ASP 12 Ca 0.12 -2.35 -0.05 0.00 -0.50 0.00 0.00 54.79 52.02 1gqg n ASP 12 Cb 0.52 -0.56 -0.02 0.00 -1.14 0.00 0.00 41.12 39.92 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 -1.68 -0.19 0.06 2.11 -3.43 -1.24 -4.76 115.29 106.16 1gqg s HIS 13 Ca 0.21 -0.12 -0.30 0.00 -0.80 0.00 0.00 55.06 54.05 1gqg s HIS 13 Cb 0.16 0.64 -0.05 0.00 -1.43 0.00 0.00 32.58 31.90 1gqg s HIS 13 CO 0.06 -0.88 1.03 0.08 -2.00 0.00 0.00 174.74 173.03 1gqg s VAL 14 N -3.41 4.52 -0.16 -5.38 1.01 -1.23 -4.44 120.40 111.30 1gqg s VAL 14 Ca 0.11 1.91 -0.32 0.00 0.00 0.00 0.00 61.98 63.68 1gqg s VAL 14 Cb -0.02 -4.22 0.14 0.00 0.00 0.00 0.00 36.38 32.27 1gqg s VAL 14 CO 0.01 0.21 1.12 0.00 0.00 0.00 0.00 175.10 176.44 1gqg s ARG 15 N 0.60 0.43 0.30 2.72 1.70 -1.26 -5.08 118.95 118.36 1gqg s ARG 15 Ca 0.52 -0.07 -0.30 0.00 -0.47 0.00 0.00 55.73 55.41 1gqg s ARG 15 Cb -0.24 0.20 -0.11 0.00 -0.57 0.00 0.00 34.95 34.23 1gqg s ARG 15 CO 0.29 -0.17 1.58 -2.14 -1.08 0.00 0.00 175.30 173.79 1gqg s PRO 16 N -2.03 4.12 0.17 3.89 0.02 -1.26 -4.65 135.00 135.26 1gqg s PRO 16 Ca 0.06 2.57 -0.21 0.00 0.02 0.00 0.00 61.00 63.44 1gqg s PRO 16 Cb -0.01 -3.02 0.05 0.00 0.02 0.00 0.00 34.50 31.55 1gqg s PRO 16 CO -0.04 -0.62 0.57 1.52 -0.33 0.00 0.00 177.00 178.09 1gqg s TYR 17 N -0.10 -0.40 -0.03 6.54 -0.85 -1.00 -4.88 117.35 116.64 1gqg s TYR 17 Ca 0.62 0.12 0.04 0.00 -0.52 0.00 0.00 57.07 57.34 1gqg s TYR 17 Cb -0.48 0.50 -0.00 0.00 0.38 0.00 0.00 41.96 42.36 1gqg s TYR 17 CO 0.49 -0.87 -0.15 0.08 -1.52 0.00 0.00 175.55 173.58 1gqg s VAL 18 N -3.79 1.22 -0.10 -3.49 1.01 -0.44 -0.13 120.40 114.68 1gqg s VAL 18 Ca 0.03 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1gqg s VAL 18 Cb -0.01 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.34 1gqg s VAL 18 CO -0.09 0.36 -0.11 -0.51 0.00 0.00 0.00 175.10 174.74 1gqg s ILE 19 N -0.02 1.22 0.55 2.22 2.07 -0.09 -1.34 121.20 125.80 1gqg s ILE 19 Ca -0.01 -0.46 -0.19 0.00 -1.41 0.00 0.00 60.65 58.58 1gqg s ILE 19 Cb -0.09 -1.16 -0.06 0.00 0.13 0.00 0.00 42.46 41.28 1gqg s ILE 19 CO 0.01 0.39 1.10 -0.13 -1.91 0.00 0.00 174.94 174.40 1gqg s ARG 20 N 1.24 3.39 0.18 3.50 1.81 -1.26 -1.05 118.95 126.76 1gqg s ARG 20 Ca -0.03 1.51 -0.33 0.00 -1.72 0.00 0.00 55.73 55.17 1gqg s ARG 20 Cb -0.14 -2.02 -0.15 0.00 -0.45 0.00 0.00 34.95 32.19 1gqg s ARG 20 CO -0.04 -0.80 1.23 1.58 -0.68 0.00 0.00 175.30 176.59 1gqg n HIS 21 N -1.39 1.51 -1.31 -0.53 -0.00 -1.25 -1.49 115.22 110.76 1gqg n HIS 21 Ca 0.11 0.62 -0.11 0.00 0.46 0.00 0.00 57.72 58.80 1gqg n HIS 21 Cb 0.51 -2.32 -0.05 0.00 -0.12 0.00 0.00 29.99 28.01 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 1.66 0.00 -0.76 1.57 4.01 -1.26 -4.97 117.16 117.41 1gqg n TYR 22 Ca 0.14 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.58 1gqg n TYR 22 Cb 0.26 -2.26 0.17 0.00 -0.31 0.00 0.00 39.34 37.20 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 -2.62 2.76 0.19 7.72 0.01 -0.56 -4.82 113.70 116.39 1gqg s SER 23 Ca 0.00 1.99 -0.15 0.00 1.31 0.00 0.00 55.95 59.11 1gqg s SER 23 Cb 0.00 -2.50 0.18 0.00 0.21 0.00 0.00 66.02 63.91 1gqg s SER 23 CO 0.00 -3.17 1.66 -0.74 0.41 0.00 0.00 173.24 171.41 1gqg h HIS 24 N -1.91 -0.16 -6.59 2.43 2.76 -1.87 -3.46 115.15 106.35 1gqg h HIS 24 Ca -0.47 0.04 -0.52 0.00 -2.20 0.00 0.00 60.37 57.22 1gqg h HIS 24 Cb 1.28 0.15 -0.09 0.00 1.55 0.00 0.00 27.41 30.29 1gqg h HIS 24 CO 0.46 -0.17 -0.89 0.00 -1.30 0.00 0.00 177.93 176.04 1gqg n ALA 25 N -2.78 -1.89 -4.16 5.26 0.00 -0.41 -1.11 120.51 115.42 1gqg n ALA 25 Ca 0.05 -0.24 -0.35 0.00 0.00 0.00 0.00 53.44 52.90 1gqg n ALA 25 Cb 0.27 -1.74 -0.02 0.00 0.00 0.00 0.00 19.45 17.96 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 -3.51 -1.63 0.00 0.63 -1.26 -0.97 116.66 105.50 1gqg n ARG 26 Ca -0.25 0.41 -0.43 0.00 -0.92 0.00 0.00 57.85 56.66 1gqg n ARG 26 Cb 0.66 -5.11 -0.00 0.00 0.45 0.00 0.00 32.46 28.45 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 -4.43 0.43 -2.26 5.13 0.00 -0.27 -4.75 120.51 114.36 1gqg n ALA 27 Ca 0.04 0.32 -0.11 0.00 0.00 0.00 0.00 53.44 53.70 1gqg n ALA 27 Cb 0.51 -2.12 -0.10 0.00 0.00 0.00 0.00 19.45 17.74 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 -1.15 0.73 -0.06 0.00 -7.23 -0.82 -1.52 120.40 110.35 1gqg s VAL 28 Ca 0.59 -1.84 0.03 0.00 -1.81 0.00 0.00 61.98 58.94 1gqg s VAL 28 Cb -0.61 -1.57 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 1gqg s VAL 28 CO 0.60 -0.80 -0.12 0.42 -0.31 0.00 0.00 175.10 174.89 1gqg s THR 29 N -3.31 3.23 -0.31 5.32 -4.23 0.00 -0.32 115.64 116.02 1gqg s THR 29 Ca 0.10 -0.66 0.03 0.00 -1.18 0.00 0.00 61.69 59.98 1gqg s THR 29 Cb 0.03 -2.28 0.09 0.00 1.34 0.00 0.00 72.50 71.67 1gqg s THR 29 CO -0.04 0.59 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.94 1gqg s VAL 30 N -0.70 2.19 0.00 2.29 1.01 -0.22 -1.12 120.40 123.86 1gqg s VAL 30 Ca 0.11 -2.08 0.00 0.00 0.00 0.00 0.00 61.98 60.01 1gqg s VAL 30 Cb -0.11 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.75 1gqg s VAL 30 CO 0.01 -0.41 0.00 0.47 0.00 0.00 0.00 175.10 175.16 1gqg n ASP 31 N 4.33 0.00 -0.07 3.32 8.00 -1.26 -1.33 116.55 129.53 1gqg n ASP 31 Ca -0.02 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.62 1gqg n ASP 31 Cb 0.42 0.00 0.59 0.00 -0.02 0.00 0.00 41.12 42.11 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 -3.18 -3.53 -2.24 -1.26 -4.88 114.28 99.19 1gqg n THR 32 Ca 0.00 -0.04 -0.39 0.00 -2.27 0.00 0.00 64.05 61.35 1gqg n THR 32 Cb 0.00 -0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 68.01 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 -2.62 4.32 -0.18 -0.78 -0.21 -0.44 -4.52 119.66 115.22 1gqg s GLN 33 Ca 0.25 0.86 -0.02 0.00 0.02 0.00 0.00 55.36 56.47 1gqg s GLN 33 Cb 0.20 -3.25 -0.01 0.00 1.00 0.00 0.00 33.01 30.95 1gqg s GLN 33 CO 0.51 0.59 -0.10 -1.17 -2.12 0.00 0.00 175.29 173.00 1gqg s LEU 34 N -1.03 2.70 -0.16 2.90 0.20 0.02 -1.06 118.68 122.25 1gqg s LEU 34 Ca 0.31 -0.42 -0.05 0.00 0.69 0.00 0.00 54.13 54.67 1gqg s LEU 34 Cb -0.20 -1.65 -0.03 0.00 -0.43 0.00 0.00 46.19 43.87 1gqg s LEU 34 CO 0.21 0.04 0.00 -0.31 -0.29 0.00 0.00 176.35 176.01 1gqg s TYR 35 N 1.08 3.13 -0.06 5.38 1.51 0.56 -1.40 117.35 127.55 1gqg s TYR 35 Ca 0.00 -0.09 0.06 0.00 -1.01 0.00 0.00 57.07 56.03 1gqg s TYR 35 Cb -0.15 -1.98 -0.01 0.00 -0.11 0.00 0.00 41.96 39.71 1gqg s TYR 35 CO -0.02 0.11 -0.23 1.03 -1.11 0.00 0.00 175.55 175.33 1gqg s ARG 36 N 0.19 2.54 -0.77 -0.62 0.52 0.40 -1.94 118.95 119.27 1gqg s ARG 36 Ca 0.01 -0.86 -0.07 0.00 -0.52 0.00 0.00 55.73 54.29 1gqg s ARG 36 Cb -0.13 -2.21 0.20 0.00 0.52 0.00 0.00 34.95 33.33 1gqg s ARG 36 CO 0.02 0.43 0.65 -0.06 0.02 0.00 0.00 175.30 176.36 1gqg s PHE 37 N -0.27 3.66 0.18 -0.53 0.08 -0.14 -0.90 117.98 120.06 1gqg s PHE 37 Ca -0.00 -2.54 -0.04 0.00 0.12 0.00 0.00 56.93 54.47 1gqg s PHE 37 Cb -0.13 -3.45 0.07 0.00 -0.57 0.00 0.00 43.02 38.94 1gqg s PHE 37 CO 0.03 -0.88 1.48 1.88 -0.10 0.00 0.00 175.22 177.63 1gqg h TYR 38 N 7.06 0.75 -3.40 0.36 0.05 -1.60 -3.38 116.97 116.81 1gqg h TYR 38 Ca 0.07 -0.27 -0.45 0.00 0.05 0.00 0.00 58.73 58.13 1gqg h TYR 38 Cb 0.95 -0.14 -0.35 0.00 1.01 0.00 0.00 36.73 38.21 1gqg h TYR 38 CO 0.83 1.02 -0.78 0.08 -1.05 0.00 0.00 178.16 178.25 1gqg s VAL 39 N -3.97 0.71 0.53 -2.88 1.01 -0.66 -4.60 120.40 110.54 1gqg s VAL 39 Ca -0.08 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1gqg s VAL 39 Cb 0.11 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.77 1gqg s VAL 39 CO 0.85 0.27 0.07 0.42 0.00 0.00 0.00 175.10 176.72 1gqg s THR 40 N 1.06 1.15 0.07 3.92 -4.23 -1.26 -1.12 115.64 115.23 1gqg s THR 40 Ca -0.08 -1.91 -0.30 0.00 -1.18 0.00 0.00 61.69 58.21 1gqg s THR 40 Cb -0.14 -2.06 -0.18 0.00 1.34 0.00 0.00 72.50 71.46 1gqg s THR 40 CO -0.01 0.00 1.60 1.23 -0.54 0.00 0.00 174.62 176.90 1gqg h GLY 41 N 1.20 -0.72 1.10 3.99 0.00 -1.86 -0.97 103.07 105.81 1gqg h GLY 41 Ca -0.43 0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1gqg h GLY 41 CO 0.71 -0.26 0.49 -2.55 0.00 0.00 0.00 176.54 174.93 1gqg h PRO 42 N -0.73 1.18 0.00 4.80 0.11 -1.90 0.47 132.00 135.94 1gqg h PRO 42 Ca -0.07 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 65.91 1gqg h PRO 42 Cb 0.55 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.41 1gqg h PRO 42 CO 0.12 0.85 -0.06 0.66 -0.21 0.00 0.00 178.00 179.35 1gqg h SER 43 N 1.19 0.00 -0.18 -2.05 4.64 -1.56 -3.20 113.55 112.39 1gqg h SER 43 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1gqg h SER 43 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1gqg h SER 43 CO -0.05 0.06 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 1gqg n SER 44 N -3.15 2.39 -1.94 4.97 3.41 -0.38 -4.32 113.62 114.60 1gqg n SER 44 Ca 0.01 -1.76 -0.15 0.00 -0.26 0.00 0.00 58.87 56.71 1gqg n SER 44 Cb 0.39 -0.12 0.02 0.00 -0.26 0.00 0.00 64.21 64.24 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 0.42 -0.13 2.45 5.00 0.00 -0.21 -2.74 105.19 109.97 1gqg n GLY 45 Ca 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 -4.07 0.00 -0.02 1.61 4.01 0.15 -4.90 117.16 113.94 1gqg n TYR 46 Ca -0.10 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.52 1gqg n TYR 46 Cb 0.59 -1.04 -0.08 0.00 -0.31 0.00 0.00 39.34 38.50 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 0.07 -2.72 -0.72 0.00 -1.76 0.60 119.26 114.72 1gqg h ALA 47 Ca -0.02 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.77 1gqg h ALA 47 Cb 0.49 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.17 1gqg h ALA 47 CO 0.03 -0.22 0.33 -0.59 0.00 0.00 0.00 179.25 178.81 1gqg s PHE 48 N -4.70 -0.27 -0.06 0.00 -0.12 -1.26 -2.95 117.98 108.62 1gqg s PHE 48 Ca -0.15 -0.06 0.04 0.00 -0.05 0.00 0.00 56.93 56.72 1gqg s PHE 48 Cb 0.04 0.64 -0.02 0.00 -0.63 0.00 0.00 43.02 43.04 1gqg s PHE 48 CO 0.69 -0.95 -0.19 0.99 -0.05 0.00 0.00 175.22 175.71 1gqg s THR 49 N -3.60 2.59 -0.19 -4.49 2.01 -0.13 -4.33 115.64 107.50 1gqg s THR 49 Ca 0.08 -0.88 -0.01 0.00 0.31 0.00 0.00 61.69 61.19 1gqg s THR 49 Cb -0.03 -1.99 0.05 0.00 0.01 0.00 0.00 72.50 70.54 1gqg s THR 49 CO -0.01 0.57 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.25 1gqg s LEU 50 N -0.37 1.73 0.17 4.42 0.20 -0.28 -1.33 118.68 123.22 1gqg s LEU 50 Ca 0.03 -0.83 0.08 0.00 0.69 0.00 0.00 54.13 54.10 1gqg s LEU 50 Cb -0.12 -0.88 -0.04 0.00 -0.43 0.00 0.00 46.19 44.71 1gqg s LEU 50 CO 0.02 -0.23 -0.17 0.00 -0.29 0.00 0.00 176.35 175.68 1gqg s MET 51 N 1.64 1.26 -0.10 1.98 0.23 -0.03 -1.65 119.30 122.62 1gqg s MET 51 Ca -0.01 -1.42 0.03 0.00 -1.03 0.00 0.00 55.69 53.25 1gqg s MET 51 Cb -0.17 -1.25 -0.01 0.00 -1.53 0.00 0.00 34.83 31.87 1gqg s MET 51 CO -0.07 0.25 -0.19 0.20 -2.03 0.00 0.00 175.02 173.18 1gqg s GLY 52 N -2.76 1.43 -0.16 3.16 0.00 -0.08 -0.35 107.32 108.57 1gqg s GLY 52 Ca 0.16 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 43.95 1gqg s GLY 52 CO 0.06 -0.35 -0.21 -1.59 0.00 0.00 0.00 173.10 171.01 1gqg s THR 53 N 0.18 2.05 -0.08 0.90 2.01 0.40 -0.45 115.64 120.65 1gqg s THR 53 Ca -0.11 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 60.96 1gqg s THR 53 Cb -0.16 -1.83 -0.02 0.00 0.01 0.00 0.00 72.50 70.50 1gqg s THR 53 CO 0.06 0.54 -0.17 0.20 -0.69 0.00 0.00 174.62 174.57 1gqg s ASN 54 N 1.03 3.77 0.05 3.53 -0.87 -0.49 -0.38 114.94 121.58 1gqg s ASN 54 Ca -0.02 -0.33 -0.26 0.00 -1.57 0.00 0.00 52.86 50.68 1gqg s ASN 54 Cb -0.14 -1.14 0.07 0.00 -0.02 0.00 0.00 41.25 40.01 1gqg s ASN 54 CO -0.07 0.25 0.63 0.00 -2.57 0.00 0.00 177.10 175.34 1gqg s ALA 55 N -0.17 -1.64 0.79 0.60 0.00 -0.84 -0.80 121.76 119.69 1gqg s ALA 55 Ca -0.01 0.87 -0.08 0.00 0.00 0.00 0.00 51.96 52.74 1gqg s ALA 55 Cb -0.14 0.44 0.12 0.00 0.00 0.00 0.00 23.12 23.54 1gqg s ALA 55 CO 0.03 -0.56 1.11 -1.25 0.00 0.00 0.00 175.76 175.09 1gqg s PRO 56 N -2.47 1.59 0.41 0.00 0.04 -1.26 -2.84 135.00 130.46 1gqg s PRO 56 Ca -0.05 -0.52 -0.26 0.00 0.04 0.00 0.00 61.00 60.21 1gqg s PRO 56 Cb -0.01 -2.11 -0.10 0.00 0.04 0.00 0.00 34.50 32.32 1gqg s PRO 56 CO -0.02 -1.66 1.31 1.58 0.04 0.00 0.00 177.00 178.26 1gqg n HIS 57 N -3.16 2.29 -4.19 0.56 -0.00 -1.23 -4.75 115.22 104.74 1gqg n HIS 57 Ca 0.12 0.50 -0.16 0.00 -0.00 0.00 0.00 57.72 58.18 1gqg n HIS 57 Cb 0.60 -2.40 -0.14 0.00 -0.00 0.00 0.00 29.99 28.05 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 -0.45 0.88 0.00 0.26 0.15 -0.47 -5.00 113.70 109.07 1gqg s SER 58 Ca 0.59 -0.27 0.28 0.00 0.70 0.00 0.00 55.95 57.25 1gqg s SER 58 Cb -0.51 -0.05 1.03 0.00 -1.71 0.00 0.00 66.02 64.78 1gqg s SER 58 CO 0.59 -0.00 1.74 0.47 1.20 0.00 0.00 173.24 177.24 1gqg n ASP 59 N 2.41 0.78 -4.52 5.45 8.00 -1.26 -4.63 116.55 122.78 1gqg n ASP 59 Ca -0.16 -0.80 -0.24 0.00 0.71 0.00 0.00 54.79 54.30 1gqg n ASP 59 Cb 0.57 0.02 -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 -2.43 2.85 0.50 2.24 0.00 -1.26 -5.11 121.76 118.55 1gqg s ALA 60 Ca 0.28 -1.79 -0.23 0.00 0.00 0.00 0.00 51.96 50.23 1gqg s ALA 60 Cb 0.20 -0.41 -0.07 0.00 0.00 0.00 0.00 23.12 22.83 1gqg s ALA 60 CO 0.48 0.29 1.22 1.28 0.00 0.00 0.00 175.76 179.03 1gqg n LEU 61 N -0.60 4.39 0.03 0.00 4.77 -1.26 -4.62 117.00 119.71 1gqg n LEU 61 Ca -0.06 0.99 0.14 0.00 -0.03 0.00 0.00 56.01 57.05 1gqg n LEU 61 Cb 0.59 -1.49 0.54 0.00 -2.33 0.00 0.00 43.42 40.73 1gqg n LEU 61 CO 0.38 -0.93 0.91 0.61 -1.33 0.00 0.00 177.39 177.03 1gqg n GLY 62 N 0.92 -1.55 3.59 -0.72 0.00 0.10 -4.86 105.19 102.68 1gqg n GLY 62 Ca 0.10 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.03 0.00 0.33 1.61 0.11 -1.26 -4.98 120.40 113.18 1gqg s VAL 63 Ca 0.13 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.89 1gqg s VAL 63 Cb 0.17 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.92 1gqg s VAL 63 CO 0.56 0.00 1.27 -0.76 -3.33 0.00 0.00 175.10 172.84 1gqg s LEU 64 N -0.64 4.42 0.27 2.54 1.43 -1.26 -4.58 118.68 120.85 1gqg s LEU 64 Ca -0.02 2.61 -0.30 0.00 -1.03 0.00 0.00 54.13 55.39 1gqg s LEU 64 Cb -0.02 -3.68 -0.14 0.00 0.03 0.00 0.00 46.19 42.38 1gqg s LEU 64 CO 0.01 -0.51 1.21 -2.65 0.23 0.00 0.00 176.35 174.64 1gqg n PRO 65 N 0.77 1.68 -3.85 1.29 -0.02 -1.26 -4.90 135.00 128.71 1gqg n PRO 65 Ca 0.00 0.59 -0.08 0.00 -2.02 0.00 0.00 63.50 62.00 1gqg n PRO 65 Cb 0.43 -2.11 -0.01 0.00 -0.02 0.00 0.00 33.50 31.79 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 -0.65 -0.05 0.07 6.00 -3.43 -0.97 -1.89 115.29 114.37 1gqg s HIS 66 Ca 0.63 -0.48 0.07 0.00 -0.80 0.00 0.00 55.06 54.48 1gqg s HIS 66 Cb -0.68 0.73 -0.03 0.00 -1.43 0.00 0.00 32.58 31.17 1gqg s HIS 66 CO 0.56 -1.35 -0.18 0.42 -2.00 0.00 0.00 174.74 172.19 1gqg s ILE 67 N -3.34 1.48 -0.15 -5.38 1.01 0.17 -1.55 121.20 113.44 1gqg s ILE 67 Ca 0.13 -1.32 0.00 0.00 0.00 0.00 0.00 60.65 59.47 1gqg s ILE 67 Cb -0.05 -1.34 -0.00 0.00 0.01 0.00 0.00 42.46 41.07 1gqg s ILE 67 CO 0.09 -0.02 -0.15 -1.00 0.00 0.00 0.00 174.94 173.86 1gqg s HIS 68 N -1.04 2.79 -0.23 3.97 3.76 -1.26 -1.13 115.29 122.16 1gqg s HIS 68 Ca 0.04 -1.02 0.19 0.00 -0.15 0.00 0.00 55.06 54.13 1gqg s HIS 68 Cb -0.09 -1.89 0.05 0.00 1.11 0.00 0.00 32.58 31.75 1gqg s HIS 68 CO 0.03 -0.46 1.20 1.96 -0.85 0.00 0.00 174.74 176.61 1gqg h GLN 69 N 7.28 0.00 0.00 1.40 4.20 -1.95 0.34 115.11 126.39 1gqg h GLN 69 Ca -0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.39 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 0.57 0.20 0.00 1.63 -0.67 0.00 0.00 178.83 180.56 1gqg n LYS 70 N -2.96 1.15 -4.46 1.46 5.02 -1.26 -4.56 118.16 112.55 1gqg n LYS 70 Ca -0.01 -0.91 -0.24 0.00 -2.02 0.00 0.00 58.31 55.12 1gqg n LYS 70 Cb 0.67 -0.86 -0.13 0.00 -0.02 0.00 0.00 35.03 34.69 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 -0.46 1.72 -0.20 2.13 3.76 -1.26 -4.39 115.29 116.58 1gqg s HIS 71 Ca 0.00 -0.39 -0.04 0.00 -0.15 0.00 0.00 55.06 54.48 1gqg s HIS 71 Cb 0.00 -0.99 -0.01 0.00 1.11 0.00 0.00 32.58 32.68 1gqg s HIS 71 CO 0.00 0.13 -0.05 -0.47 -0.85 0.00 0.00 174.74 173.50 1gqg s TYR 72 N -0.96 2.96 0.05 1.40 6.14 -0.00 -3.83 117.35 123.11 1gqg s TYR 72 Ca 0.06 -0.77 0.02 0.00 0.64 0.00 0.00 57.07 57.02 1gqg s TYR 72 Cb -0.09 -2.06 -0.04 0.00 0.42 0.00 0.00 41.96 40.19 1gqg s TYR 72 CO 0.03 -0.41 0.07 -1.21 0.64 0.00 0.00 175.55 174.66 1gqg s GLU 73 N 1.17 2.91 -0.08 4.97 8.01 -0.44 -1.54 118.70 133.70 1gqg s GLU 73 Ca 0.02 -0.64 0.01 0.00 0.01 0.00 0.00 54.97 54.37 1gqg s GLU 73 Cb -0.14 -2.75 0.02 0.00 -4.31 0.00 0.00 34.13 26.94 1gqg s GLU 73 CO -0.01 0.59 -0.08 -0.80 0.01 0.00 0.00 175.26 174.97 1gqg s ASN 74 N -2.17 1.74 -0.23 -0.19 0.01 0.34 -1.23 114.94 113.22 1gqg s ASN 74 Ca 0.27 -0.25 -0.06 0.00 -0.71 0.00 0.00 52.86 52.11 1gqg s ASN 74 Cb -0.12 -0.72 -0.03 0.00 0.41 0.00 0.00 41.25 40.79 1gqg s ASN 74 CO 0.19 -0.06 0.04 -0.36 -1.51 0.00 0.00 177.10 175.40 1gqg s PHE 75 N 1.23 3.07 -0.08 2.20 0.40 0.27 -1.40 117.98 123.69 1gqg s PHE 75 Ca -0.05 -0.44 0.03 0.00 -0.60 0.00 0.00 56.93 55.87 1gqg s PHE 75 Cb -0.14 -2.17 0.01 0.00 0.51 0.00 0.00 43.02 41.23 1gqg s PHE 75 CO -0.02 -0.30 -0.15 -0.47 0.70 0.00 0.00 175.22 174.97 1gqg s TYR 76 N 1.33 1.76 -0.48 0.36 5.04 -0.17 -0.30 117.35 124.89 1gqg s TYR 76 Ca 0.05 -0.70 -0.20 0.00 -2.44 0.00 0.00 57.07 53.78 1gqg s TYR 76 Cb -0.15 -1.25 0.04 0.00 0.35 0.00 0.00 41.96 40.95 1gqg s TYR 76 CO 0.02 -0.33 0.64 0.00 -1.34 0.00 0.00 175.55 174.54 1gqg h ASN 78 N 8.96 0.76 -5.03 0.00 2.35 -1.47 0.28 115.58 121.43 1gqg h ASN 78 Ca -0.27 -0.48 0.09 0.00 -0.55 0.00 0.00 56.30 55.09 1gqg h ASN 78 Cb 1.09 -0.21 -0.09 0.00 0.05 0.00 0.00 38.32 39.16 1gqg h ASN 78 CO 0.94 1.09 0.36 -1.59 -1.65 0.00 0.00 177.43 176.57 1gqg s LYS 79 N -4.31 1.31 4.05 0.81 -2.85 -1.20 -4.50 119.74 113.05 1gqg s LYS 79 Ca -0.12 -0.64 0.00 0.00 -1.00 0.00 0.00 55.97 54.21 1gqg s LYS 79 Cb 0.09 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.35 1gqg s LYS 79 CO 0.83 -0.59 0.00 0.41 0.10 0.00 0.00 175.35 176.10 1gqg n GLY 80 N -0.40 0.67 3.59 0.59 0.00 -1.18 -1.21 105.19 107.24 1gqg n GLY 80 Ca -0.08 -0.85 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.59 0.00 1.61 1.04 -1.26 -3.63 113.70 106.88 1gqg s SER 81 Ca 0.00 0.91 -0.09 0.00 0.48 0.00 0.00 55.95 57.25 1gqg s SER 81 Cb 0.00 0.84 0.00 0.00 0.10 0.00 0.00 66.02 66.96 1gqg s SER 81 CO 0.00 -0.36 0.17 0.72 0.98 0.00 0.00 173.24 174.75 1gqg s PHE 82 N -0.42 0.02 0.08 5.02 -0.12 -0.81 -0.95 117.98 120.79 1gqg s PHE 82 Ca -0.03 -0.10 -0.11 0.00 -0.05 0.00 0.00 56.93 56.64 1gqg s PHE 82 Cb -0.03 -0.03 -0.06 0.00 -0.63 0.00 0.00 43.02 42.28 1gqg s PHE 82 CO 0.02 -0.32 0.42 -1.14 -0.05 0.00 0.00 175.22 174.15 1gqg s GLN 83 N -1.52 3.80 -0.05 1.99 0.74 0.40 -0.32 119.66 124.70 1gqg s GLN 83 Ca -0.14 0.24 0.02 0.00 0.05 0.00 0.00 55.36 55.54 1gqg s GLN 83 Cb -0.07 -3.02 0.01 0.00 1.10 0.00 0.00 33.01 31.04 1gqg s GLN 83 CO 0.01 0.57 -0.10 -1.17 -0.55 0.00 0.00 175.29 174.05 1gqg s LEU 84 N -1.80 1.63 -0.03 3.68 2.96 -0.28 -0.95 118.68 123.88 1gqg s LEU 84 Ca 0.32 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 54.03 1gqg s LEU 84 Cb -0.14 -0.68 -0.03 0.00 0.50 0.00 0.00 46.19 45.83 1gqg s LEU 84 CO 0.17 0.03 -0.10 0.26 -1.32 0.00 0.00 176.35 175.39 1gqg s TRP 85 N 0.56 2.81 -0.10 5.38 0.51 -0.45 -1.81 118.94 125.84 1gqg s TRP 85 Ca -0.11 -0.08 -0.16 0.00 -2.12 0.00 0.00 56.10 53.63 1gqg s TRP 85 Cb -0.13 -1.63 0.04 0.00 -0.81 0.00 0.00 33.47 30.93 1gqg s TRP 85 CO 0.02 0.29 0.41 0.00 -0.51 0.00 0.00 176.95 177.16 1gqg s ALA 86 N -0.84 -1.03 -0.21 0.98 0.00 0.65 -2.64 121.76 118.66 1gqg s ALA 86 Ca 0.14 0.90 -0.10 0.00 0.00 0.00 0.00 51.96 52.89 1gqg s ALA 86 Cb -0.11 -0.35 0.07 0.00 0.00 0.00 0.00 23.12 22.74 1gqg s ALA 86 CO 0.03 -0.24 0.49 -1.14 0.00 0.00 0.00 175.76 174.90 1gqg s GLN 87 N -0.48 0.46 -0.27 0.00 0.74 -0.34 -0.80 119.66 118.96 1gqg s GLN 87 Ca -0.06 0.98 -0.14 0.00 0.05 0.00 0.00 55.36 56.19 1gqg s GLN 87 Cb -0.03 0.14 -0.04 0.00 1.10 0.00 0.00 33.01 34.18 1gqg s GLN 87 CO 0.03 -0.18 0.34 0.45 -0.55 0.00 0.00 175.29 175.38 1gqg s SER 88 N 1.79 6.21 0.22 6.67 0.15 -1.26 -1.24 113.70 126.23 1gqg s SER 88 Ca -0.08 0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.80 1gqg s SER 88 Cb -0.09 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 1gqg s SER 88 CO -0.15 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.75 1gqg n GLY 89 N 4.76 2.42 0.75 9.45 0.00 -1.26 -1.15 105.19 120.15 1gqg n GLY 89 Ca -0.10 0.25 0.09 0.00 0.00 0.00 0.00 46.02 46.26 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 2.47 2.20 -4.80 1.61 0.23 -1.26 -4.94 115.26 110.77 1gqg n ASN 90 Ca 0.00 -1.88 -0.31 0.00 -0.53 0.00 0.00 54.58 51.86 1gqg n ASN 90 Cb 0.00 -0.21 0.07 0.00 -2.08 0.00 0.00 39.78 37.56 1gqg n ASN 90 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1gqg s GLU 91 N -1.58 2.51 0.22 -3.83 2.02 -0.30 -4.96 118.70 112.78 1gqg s GLU 91 Ca 0.31 0.89 -0.32 0.00 0.02 0.00 0.00 54.97 55.88 1gqg s GLU 91 Cb 0.17 -1.95 -0.14 0.00 0.10 0.00 0.00 34.13 32.31 1gqg s GLU 91 CO 0.24 -1.39 1.32 2.41 0.02 0.00 0.00 175.26 177.86 1gqg n THR 92 N -3.31 0.96 -2.30 3.63 -1.04 -1.26 -4.66 114.28 106.29 1gqg n THR 92 Ca 0.08 -0.24 -0.42 0.00 -2.04 0.00 0.00 64.05 61.42 1gqg n THR 92 Cb 0.54 -1.26 -0.03 0.00 -1.82 0.00 0.00 70.33 67.77 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 -0.44 4.36 0.00 -2.82 0.74 -1.26 -4.76 119.66 115.48 1gqg s GLN 93 Ca 0.69 1.90 0.01 0.00 0.05 0.00 0.00 55.36 58.02 1gqg s GLN 93 Cb -0.72 -3.39 -0.04 0.00 1.10 0.00 0.00 33.01 29.97 1gqg s GLN 93 CO 0.51 -0.40 0.02 -0.65 -0.55 0.00 0.00 175.29 174.21 1gqg s GLN 94 N 1.49 2.84 -0.07 1.67 -1.52 0.02 -4.25 119.66 119.83 1gqg s GLN 94 Ca 0.61 -0.59 -0.08 0.00 -1.95 0.00 0.00 55.36 53.36 1gqg s GLN 94 Cb -0.32 -2.71 0.02 0.00 -0.22 0.00 0.00 33.01 29.78 1gqg s GLN 94 CO 0.28 0.63 0.22 -0.08 -0.25 0.00 0.00 175.29 176.09 1gqg s THR 95 N -1.12 0.01 0.03 -0.19 -1.32 -0.49 -0.25 115.64 112.31 1gqg s THR 95 Ca 0.20 -0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.62 1gqg s THR 95 Cb -0.12 -0.33 -0.02 0.00 -1.51 0.00 0.00 72.50 70.52 1gqg s THR 95 CO 0.11 -0.04 -0.04 -0.13 -2.21 0.00 0.00 174.62 172.31 1gqg s ARG 96 N -0.05 0.41 -0.34 7.08 1.81 -0.75 -1.94 118.95 125.16 1gqg s ARG 96 Ca -0.02 -0.74 -0.13 0.00 -1.72 0.00 0.00 55.73 53.12 1gqg s ARG 96 Cb -0.02 0.04 -0.02 0.00 -0.45 0.00 0.00 34.95 34.50 1gqg s ARG 96 CO 0.01 -0.04 0.24 0.08 -0.68 0.00 0.00 175.30 174.91 1gqg s VAL 97 N -1.85 5.29 -0.05 3.52 1.01 0.80 -1.13 120.40 127.99 1gqg s VAL 97 Ca -0.11 -0.21 -0.20 0.00 0.00 0.00 0.00 61.98 61.46 1gqg s VAL 97 Cb -0.07 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1gqg s VAL 97 CO -0.02 -0.00 0.58 -0.76 0.00 0.00 0.00 175.10 174.90 1gqg s LEU 98 N 1.72 4.36 0.00 3.92 1.02 0.56 -4.94 118.68 125.32 1gqg s LEU 98 Ca 0.06 1.06 0.00 0.00 0.02 0.00 0.00 54.13 55.28 1gqg s LEU 98 Cb -0.17 -2.89 0.00 0.00 0.02 0.00 0.00 46.19 43.15 1gqg s LEU 98 CO 0.11 0.03 0.02 -1.54 0.02 0.00 0.00 176.35 174.98 1gqg n SER 99 N 3.21 1.87 -4.67 2.29 3.41 -1.26 -1.93 113.62 116.54 1gqg n SER 99 Ca -0.06 -1.29 -0.49 0.00 -0.26 0.00 0.00 58.87 56.77 1gqg n SER 99 Cb 0.51 0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.44 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 -1.36 2.97 0.00 4.04 2.88 -1.24 -1.21 113.62 119.70 1gqg n SER 100 Ca -0.02 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.57 1gqg n SER 100 Cb 0.09 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.20 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 3.74 1.25 3.84 0.46 0.00 1.00 -4.76 105.19 110.71 1gqg n GLY 101 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.12 6.51 -0.01 1.61 1.01 -0.35 -3.94 116.67 118.39 1gqg s ASP 102 Ca 0.00 1.61 0.03 0.00 0.71 0.00 0.00 52.55 54.90 1gqg s ASP 102 Cb 0.00 -2.51 -0.01 0.00 1.01 0.00 0.00 42.92 41.41 1gqg s ASP 102 CO 0.00 -0.67 -0.10 -0.47 0.21 0.00 0.00 175.17 174.14 1gqg s TYR 103 N -2.58 0.92 -0.05 4.23 5.04 -0.06 -1.59 117.35 123.25 1gqg s TYR 103 Ca 0.60 -0.18 0.02 0.00 -2.44 0.00 0.00 57.07 55.08 1gqg s TYR 103 Cb -0.11 -0.59 0.01 0.00 0.35 0.00 0.00 41.96 41.62 1gqg s TYR 103 CO 0.31 -0.02 -0.11 0.20 -1.34 0.00 0.00 175.55 174.59 1gqg s GLY 104 N -0.22 0.72 -0.19 8.97 0.00 0.59 -0.87 107.32 116.33 1gqg s GLY 104 Ca 0.04 -0.40 -0.05 0.00 0.00 0.00 0.00 44.72 44.31 1gqg s GLY 104 CO -0.00 0.05 0.00 -0.45 0.00 0.00 0.00 173.10 172.69 1gqg s SER 105 N 0.51 4.93 -0.50 1.64 0.15 0.79 -0.56 113.70 120.65 1gqg s SER 105 Ca -0.11 -0.15 0.03 0.00 0.70 0.00 0.00 55.95 56.43 1gqg s SER 105 Cb -0.14 -1.83 0.14 0.00 -1.71 0.00 0.00 66.02 62.48 1gqg s SER 105 CO 0.03 0.10 0.30 -0.69 1.20 0.00 0.00 173.24 174.18 1gqg s VAL 106 N 0.79 1.83 1.20 4.45 1.01 -0.37 -2.68 120.40 126.64 1gqg s VAL 106 Ca 0.00 -3.05 -0.13 0.00 0.00 0.00 0.00 61.98 58.80 1gqg s VAL 106 Cb -0.14 -2.26 0.31 0.00 0.00 0.00 0.00 36.38 34.28 1gqg s VAL 106 CO 0.02 -0.93 1.01 -2.84 0.00 0.00 0.00 175.10 172.36 1gqg s PRO 107 N -0.16 -1.24 0.68 2.72 0.02 -1.26 -1.33 135.00 134.43 1gqg s PRO 107 Ca 0.20 0.85 -0.17 0.00 0.02 0.00 0.00 61.00 61.90 1gqg s PRO 107 Cb -0.18 -1.52 -0.01 0.00 0.02 0.00 0.00 34.50 32.81 1gqg s PRO 107 CO -0.05 -3.94 1.05 0.54 -0.33 0.00 0.00 177.00 174.27 1gqg n ARG 108 N -5.07 0.73 -2.48 5.54 1.74 -1.25 -3.11 116.66 112.77 1gqg n ARG 108 Ca 0.02 0.30 -0.18 0.00 -0.77 0.00 0.00 57.85 57.23 1gqg n ARG 108 Cb 0.54 -2.29 0.00 0.00 -1.02 0.00 0.00 32.46 29.69 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 -1.56 -5.22 -4.23 0.55 3.02 0.11 -4.89 115.26 103.04 1gqg n ASN 109 Ca 0.14 -0.07 -0.34 0.00 -0.03 0.00 0.00 54.58 54.28 1gqg n ASN 109 Cb 0.49 -4.24 -0.15 0.00 -0.61 0.00 0.00 39.78 35.26 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 2.75 0.19 2.41 1.01 -1.18 -4.39 120.40 118.26 1gqg s VAL 110 Ca 0.07 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 1gqg s VAL 110 Cb -0.03 -2.20 -0.09 0.00 0.00 0.00 0.00 36.38 34.06 1gqg s VAL 110 CO 0.08 0.49 1.41 -0.89 0.00 0.00 0.00 175.10 176.19 1gqg s THR 111 N 1.25 2.95 0.13 3.92 2.01 -0.37 -4.52 115.64 121.01 1gqg s THR 111 Ca 0.03 0.75 -0.13 0.00 0.31 0.00 0.00 61.69 62.66 1gqg s THR 111 Cb -0.14 -3.48 0.01 0.00 0.01 0.00 0.00 72.50 68.90 1gqg s THR 111 CO -0.06 0.10 0.33 -1.38 -0.69 0.00 0.00 174.62 172.91 1gqg s HIS 112 N 0.43 0.03 0.25 4.92 -3.43 -0.59 -1.20 115.29 115.70 1gqg s HIS 112 Ca 0.61 -0.40 -0.22 0.00 -0.80 0.00 0.00 55.06 54.26 1gqg s HIS 112 Cb -0.39 0.12 0.03 0.00 -1.43 0.00 0.00 32.58 30.91 1gqg s HIS 112 CO 0.37 -0.68 0.79 -0.08 -2.00 0.00 0.00 174.74 173.13 1gqg s THR 113 N -3.86 0.00 0.18 -5.38 -1.32 -1.08 -2.30 115.64 101.88 1gqg s THR 113 Ca 0.07 -0.91 -0.05 0.00 -1.21 0.00 0.00 61.69 59.59 1gqg s THR 113 Cb 0.03 -2.03 -0.03 0.00 -1.51 0.00 0.00 72.50 68.96 1gqg s THR 113 CO -0.08 0.00 0.21 0.72 -2.21 0.00 0.00 174.62 173.26 1gqg s PHE 114 N -3.70 0.76 -0.12 9.09 -0.71 -1.26 -1.35 117.98 120.69 1gqg s PHE 114 Ca 0.12 -1.08 -0.05 0.00 -1.04 0.00 0.00 56.93 54.87 1gqg s PHE 114 Cb -0.05 -0.29 0.06 0.00 -1.21 0.00 0.00 43.02 41.53 1gqg s PHE 114 CO 0.06 -0.69 0.27 -1.14 -1.34 0.00 0.00 175.22 172.38 1gqg s GLN 115 N -4.06 0.20 -0.04 1.99 0.74 -0.13 0.02 119.66 118.38 1gqg s GLN 115 Ca 0.27 0.65 -0.30 0.00 0.05 0.00 0.00 55.36 56.03 1gqg s GLN 115 Cb 0.05 -0.07 -0.04 0.00 1.10 0.00 0.00 33.01 34.05 1gqg s GLN 115 CO 0.06 -0.21 1.23 0.42 -0.55 0.00 0.00 175.29 176.24 1gqg s ILE 116 N 1.77 4.17 -0.22 -2.34 -1.09 -1.26 -0.46 121.20 121.77 1gqg s ILE 116 Ca -0.05 1.50 -0.15 0.00 -2.23 0.00 0.00 60.65 59.72 1gqg s ILE 116 Cb -0.11 -3.97 -0.09 0.00 -1.58 0.00 0.00 42.46 36.72 1gqg s ILE 116 CO -0.09 0.00 -0.34 1.67 -1.23 0.00 0.00 174.94 174.96 1gqg n GLN 117 N 5.15 0.53 -3.21 2.79 7.27 -0.13 -1.36 117.38 128.42 1gqg n GLN 117 Ca 0.11 0.22 -0.30 0.00 0.07 0.00 0.00 57.00 57.10 1gqg n GLN 117 Cb 0.46 -1.41 -0.04 0.00 2.41 0.00 0.00 30.24 31.66 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 -6.65 6.55 0.34 1.69 1.01 -0.98 -4.39 116.67 114.24 1gqg s ASP 118 Ca -0.32 0.94 0.02 0.00 0.71 0.00 0.00 52.55 53.90 1gqg s ASP 118 Cb 0.09 -2.24 0.62 0.00 1.01 0.00 0.00 42.92 42.41 1gqg s ASP 118 CO 0.44 -0.22 1.98 -0.65 0.21 0.00 0.00 175.17 176.92 1gqg h PRO 119 N 1.86 0.87 -2.49 8.23 0.11 -1.90 -3.20 132.00 135.48 1gqg h PRO 119 Ca -0.47 -0.05 -0.71 0.00 0.11 0.00 0.00 66.00 64.88 1gqg h PRO 119 Cb 1.18 -0.20 -0.35 0.00 0.11 0.00 0.00 31.00 31.75 1gqg h PRO 119 CO 0.66 0.58 0.15 -3.47 -0.21 0.00 0.00 178.00 175.70 1gqg n ASP 120 N -4.45 5.35 -4.86 -2.05 2.03 -1.26 -4.15 116.55 107.16 1gqg n ASP 120 Ca 0.09 -3.49 -0.37 0.00 0.52 0.00 0.00 54.79 51.54 1gqg n ASP 120 Cb 0.12 -0.95 -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 -3.07 5.46 -0.06 5.18 2.01 -1.13 -3.11 115.64 120.92 1gqg s THR 121 Ca 0.37 0.27 -0.00 0.00 0.31 0.00 0.00 61.69 62.64 1gqg s THR 121 Cb 0.13 -3.44 0.03 0.00 0.01 0.00 0.00 72.50 69.23 1gqg s THR 121 CO 0.01 0.60 -0.01 -0.70 -0.69 0.00 0.00 174.62 173.82 1gqg s GLU 122 N -0.89 0.67 -0.23 4.92 2.12 -0.35 -1.99 118.70 122.95 1gqg s GLU 122 Ca 0.15 0.03 -0.03 0.00 0.36 0.00 0.00 54.97 55.48 1gqg s GLU 122 Cb -0.12 -0.89 0.01 0.00 0.26 0.00 0.00 34.13 33.38 1gqg s GLU 122 CO 0.04 -0.21 -0.06 1.41 -0.54 0.00 0.00 175.26 175.90 1gqg s MET 123 N 1.54 3.07 -0.21 4.30 -2.45 0.48 -1.17 119.30 124.86 1gqg s MET 123 Ca -0.02 -0.82 -0.15 0.00 -1.25 0.00 0.00 55.69 53.45 1gqg s MET 123 Cb -0.13 -2.98 -0.04 0.00 1.25 0.00 0.00 34.83 32.93 1gqg s MET 123 CO -0.03 -0.31 0.36 0.99 1.05 0.00 0.00 175.02 177.08 1gqg s THR 124 N 1.39 5.22 -0.16 10.11 2.01 0.86 -0.45 115.64 134.62 1gqg s THR 124 Ca 0.03 0.63 -0.04 0.00 0.31 0.00 0.00 61.69 62.62 1gqg s THR 124 Cb -0.15 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 1gqg s THR 124 CO -0.04 0.26 -0.04 -0.83 -0.69 0.00 0.00 174.62 173.27 1gqg s GLY 125 N 1.09 1.71 -0.20 4.40 0.00 0.53 -1.00 107.32 113.84 1gqg s GLY 125 Ca 0.17 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 44.05 1gqg s GLY 125 CO 0.08 -0.04 -0.15 0.14 0.00 0.00 0.00 173.10 173.13 1gqg s VAL 126 N 0.44 2.33 -0.02 1.40 1.01 -0.49 -0.85 120.40 124.22 1gqg s VAL 126 Ca -0.04 -0.99 0.07 0.00 0.00 0.00 0.00 61.98 61.03 1gqg s VAL 126 Cb -0.14 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 1gqg s VAL 126 CO 0.03 0.41 -0.23 -0.63 0.00 0.00 0.00 175.10 174.68 1gqg s ILE 127 N 1.29 1.83 -0.04 2.22 1.09 -0.44 -0.50 121.20 126.65 1gqg s ILE 127 Ca 0.03 -0.99 0.02 0.00 -1.10 0.00 0.00 60.65 58.61 1gqg s ILE 127 Cb -0.15 -1.52 0.01 0.00 -1.06 0.00 0.00 42.46 39.74 1gqg s ILE 127 CO -0.10 0.52 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.48 1gqg s VAL 128 N -0.50 0.83 0.77 2.92 1.01 -0.59 -0.96 120.40 123.88 1gqg s VAL 128 Ca 0.08 -0.33 -0.13 0.00 0.00 0.00 0.00 61.98 61.60 1gqg s VAL 128 Cb -0.09 -0.77 0.18 0.00 0.00 0.00 0.00 36.38 35.69 1gqg s VAL 128 CO -0.00 0.28 1.04 -0.81 0.00 0.00 0.00 175.10 175.61 1gqg n PRO 129 N 3.70 -1.00 -1.74 2.72 -0.04 -1.26 -0.82 135.00 136.56 1gqg n PRO 129 Ca -0.22 -1.64 -0.29 0.00 -0.04 0.00 0.00 63.50 61.31 1gqg n PRO 129 Cb 0.52 -1.07 0.09 0.00 -0.04 0.00 0.00 33.50 33.01 1gqg n PRO 129 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1gqg s GLY 130 N -5.27 1.60 0.00 0.55 0.00 0.20 -4.32 107.32 100.08 1gqg s GLY 130 Ca 0.59 -0.46 0.00 0.00 0.00 0.00 0.00 44.72 44.85 1gqg s GLY 130 CO 0.42 0.00 0.00 0.61 0.00 0.00 0.00 173.10 174.13 1gqg n GLY 131 N -2.74 0.45 0.30 0.20 0.00 -1.26 -4.77 105.19 97.36 1gqg n GLY 131 Ca 0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.54 116.94 117.63 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 0.13 1.05 -2.23 0.00 0.00 178.31 177.26 1gqg h GLU 133 N 0.00 0.00 -0.55 1.11 9.09 -1.94 -1.80 114.58 120.49 1gqg h GLU 133 Ca 0.03 0.00 0.11 0.00 0.05 0.00 0.00 59.36 59.55 1gqg h GLU 133 Cb 0.15 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.22 1gqg h GLU 133 CO -0.00 0.00 0.38 -0.44 0.05 0.00 0.00 179.01 178.99 1gqg h ASP 134 N 0.00 0.23 -0.68 3.06 3.32 -1.89 0.08 116.42 120.54 1gqg h ASP 134 Ca 0.00 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1gqg h ASP 134 Cb 0.26 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 1gqg h ASP 134 CO 0.00 0.13 0.44 0.25 -1.72 0.00 0.00 179.24 178.35 1gqg h LEU 135 N 0.25 0.75 -0.53 1.55 5.85 -1.59 -2.15 115.31 119.44 1gqg h LEU 135 Ca 0.26 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.86 1gqg h LEU 135 Cb 0.68 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1gqg h LEU 135 CO -0.05 0.53 -0.53 -0.26 -0.34 0.00 0.00 178.44 177.79 1gqg h PHE 136 N 0.89 0.00 -0.42 1.25 0.04 -1.22 -0.41 116.94 117.08 1gqg h PHE 136 Ca 0.26 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.00 1gqg h PHE 136 Cb -0.05 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 1gqg h PHE 136 CO -0.03 0.53 0.11 1.88 -0.60 0.00 0.00 178.31 180.20 1gqg h TYR 137 N 0.00 0.61 0.02 -0.55 0.05 -0.87 0.24 116.97 116.47 1gqg h TYR 137 Ca -0.01 -0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.74 1gqg h TYR 137 Cb 1.18 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.73 1gqg h TYR 137 CO 0.00 0.52 -0.01 -0.92 -1.05 0.00 0.00 178.16 176.70 1gqg h TYR 138 N 0.60 -0.02 -0.14 4.88 3.20 -0.92 -3.33 116.97 121.24 1gqg h TYR 138 Ca 0.14 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.92 1gqg h TYR 138 Cb 0.21 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 1gqg h TYR 138 CO 0.01 0.72 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.86 1gqg h LEU 139 N -0.81 0.27-10.35 2.82 3.38 -1.04 -3.46 115.31 106.12 1gqg h LEU 139 Ca -0.00 -0.10 -0.47 0.00 0.09 0.00 0.00 57.88 57.41 1gqg h LEU 139 Cb 0.75 -0.07 0.03 0.00 0.09 0.00 0.00 40.66 41.45 1gqg h LEU 139 CO 0.00 0.59 -0.05 -0.83 0.09 0.00 0.00 178.44 178.24 1gqg s GLY 140 N -4.15 1.54 -0.14 0.83 0.00 0.85 -4.83 107.32 101.42 1gqg s GLY 140 Ca -0.05 -0.95 -0.01 0.00 0.00 0.00 0.00 44.72 43.70 1gqg s GLY 140 CO 0.76 -0.78 -0.10 -1.59 0.00 0.00 0.00 173.10 171.40 1gqg s THR 141 N -2.60 3.28 0.25 0.90 2.01 -0.27 -4.86 115.64 114.35 1gqg s THR 141 Ca 0.48 -0.57 -0.30 0.00 0.31 0.00 0.00 61.69 61.61 1gqg s THR 141 Cb -0.10 -2.40 -0.14 0.00 0.01 0.00 0.00 72.50 69.87 1gqg s THR 141 CO 0.39 0.51 1.22 0.59 -0.69 0.00 0.00 174.62 176.64 1gqg n ASN 142 N 3.64 2.00 -4.13 3.53 3.02 -1.26 -0.82 115.26 121.25 1gqg n ASN 142 Ca -0.18 1.16 -0.31 0.00 -0.03 0.00 0.00 54.58 55.22 1gqg n ASN 142 Cb 0.52 -1.35 -0.17 0.00 -0.61 0.00 0.00 39.78 38.18 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 -0.54 2.06 0.15 5.41 0.00 -0.58 -4.81 121.76 123.45 1gqg s ALA 143 Ca 0.64 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 51.54 1gqg s ALA 143 Cb -0.70 -0.94 -0.03 0.00 0.00 0.00 0.00 23.12 21.45 1gqg s ALA 143 CO 0.55 -0.05 1.44 1.15 0.00 0.00 0.00 175.76 178.85 1gqg h THR 144 N 5.87 1.28 -6.66 0.00 2.02 -1.94 -3.41 112.91 110.08 1gqg h THR 144 Ca -0.32 -1.72 -0.42 0.00 0.77 0.00 0.00 66.41 64.71 1gqg h THR 144 Cb 1.18 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 69.21 1gqg h THR 144 CO 0.53 0.56 -0.85 -0.67 0.37 0.00 0.00 175.52 175.46 1gqg n ASP 145 N -4.00 -3.54 -0.29 4.18 -0.08 -1.26 -4.82 116.55 106.74 1gqg n ASP 145 Ca -0.04 -0.87 0.08 0.00 -1.51 0.00 0.00 54.79 52.45 1gqg n ASP 145 Cb 0.61 -1.24 0.30 0.00 2.34 0.00 0.00 41.12 43.14 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 -0.56 0.94 -0.01 5.18 2.02 -1.99 -1.12 112.91 117.38 1gqg h THR 146 Ca -0.53 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.35 1gqg h THR 146 Cb 1.10 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1gqg h THR 146 CO 0.33 0.16 -0.07 0.35 0.37 0.00 0.00 175.52 176.66 1gqg n THR 147 N -4.54 0.00 -2.57 3.16 -2.24 -1.26 -4.92 114.28 101.91 1gqg n THR 147 Ca 0.16 -0.11 -0.19 0.00 -2.27 0.00 0.00 64.05 61.64 1gqg n THR 147 Cb 0.34 0.05 0.01 0.00 -2.10 0.00 0.00 70.33 68.62 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 -0.60 -1.19 -2.09 4.78 8.25 -0.42 -4.96 115.22 118.99 1gqg n HIS 148 Ca 0.17 0.18 -0.40 0.00 -0.26 0.00 0.00 57.72 57.41 1gqg n HIS 148 Cb 0.27 -3.77 -0.01 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 -2.98 2.68 0.21 1.59 -1.32 -1.26 -4.91 115.64 109.65 1gqg s THR 149 Ca 0.10 0.65 -0.11 0.00 -1.21 0.00 0.00 61.69 61.12 1gqg s THR 149 Cb -0.04 -3.40 0.17 0.00 -1.51 0.00 0.00 72.50 67.72 1gqg s THR 149 CO 0.13 0.13 1.68 -0.65 -2.21 0.00 0.00 174.62 173.69 1gqg h PRO 150 N 3.07 0.16 -4.12 7.08 0.11 -1.95 -3.43 132.00 132.92 1gqg h PRO 150 Ca -0.49 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 1gqg h PRO 150 Cb 1.23 -0.04 -0.14 0.00 0.11 0.00 0.00 31.00 32.17 1gqg h PRO 150 CO 0.64 0.10 -0.49 1.52 -0.21 0.00 0.00 178.00 179.57 1gqg s TYR 151 N -6.14 0.56 -0.18 0.65 -0.85 -1.26 -4.67 117.35 105.47 1gqg s TYR 151 Ca -0.13 -0.95 -0.29 0.00 -0.52 0.00 0.00 57.07 55.17 1gqg s TYR 151 Cb 0.18 -0.25 -0.00 0.00 0.38 0.00 0.00 41.96 42.27 1gqg s TYR 151 CO 0.74 -0.59 1.07 0.42 -1.52 0.00 0.00 175.55 175.67 1gqg s ILE 152 N -3.98 4.63 0.33 -3.49 -1.09 -1.26 -4.98 121.20 111.35 1gqg s ILE 152 Ca 0.18 1.94 -0.29 0.00 -2.23 0.00 0.00 60.65 60.24 1gqg s ILE 152 Cb 0.06 -4.25 -0.11 0.00 -1.58 0.00 0.00 42.46 36.57 1gqg s ILE 152 CO -0.01 -0.11 1.55 -2.84 -1.23 0.00 0.00 174.94 172.29 1gqg s PRO 153 N 2.86 4.11 0.00 2.79 0.02 -1.26 -5.03 135.00 138.49 1gqg s PRO 153 Ca 0.47 2.59 0.00 0.00 0.02 0.00 0.00 61.00 64.08 1gqg s PRO 153 Cb -0.17 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.35 1gqg s PRO 153 CO 0.11 -0.60 0.00 -1.13 -0.33 0.00 0.00 177.00 175.06 1gqg n SER 154 N 1.38 0.00 0.00 2.53 3.41 -1.26 -5.21 113.62 114.47 1gqg n SER 154 Ca 0.05 0.91 0.00 0.00 -0.26 0.00 0.00 58.87 59.57 1gqg n SER 154 Cb 0.38 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 62.97 1gqg n SER 154 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1gqg n SER 166 N 1.79 0.00 0.02 4.04 3.41 -1.26 -4.93 113.62 116.69 1gqg n SER 166 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 1gqg n SER 166 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1gqg n SER 166 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1gqg h SER 167 N 0.00 0.02 -0.07 4.04 4.64 -2.06 -2.96 113.55 117.15 1gqg h SER 167 Ca 0.00 -0.12 -0.12 0.00 -0.47 0.00 0.00 61.79 61.09 1gqg h SER 167 Cb 0.00 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1gqg h SER 167 CO 0.00 0.13 -0.32 0.74 -0.87 0.00 0.00 176.83 176.51 1gqg h THR 168 N -0.09 1.28 -0.84 2.95 2.02 -2.05 -3.24 112.91 112.94 1gqg h THR 168 Ca 0.00 -1.42 0.14 0.00 0.77 0.00 0.00 66.41 65.90 1gqg h THR 168 Cb 0.12 1.43 -0.15 0.00 -1.74 0.00 0.00 68.15 67.81 1gqg h THR 168 CO -0.00 0.45 -0.34 -0.29 0.37 0.00 0.00 175.52 175.71 1gqg h ILE 169 N 0.47 0.08 -0.38 3.11 6.09 -1.96 0.48 117.51 125.40 1gqg h ILE 169 Ca 0.06 0.00 -0.05 0.00 -1.37 0.00 0.00 64.86 63.50 1gqg h ILE 169 Cb 0.79 0.08 -0.01 0.00 0.47 0.00 0.00 36.82 38.14 1gqg h ILE 169 CO 0.06 0.00 0.06 -1.28 -3.07 0.00 0.00 178.15 173.92 1gqg h SER 170 N -0.06 0.61 -0.49 2.19 0.87 -1.62 -2.42 113.55 112.63 1gqg h SER 170 Ca 0.32 -0.26 0.04 0.00 -1.23 0.00 0.00 61.79 60.66 1gqg h SER 170 Cb 0.59 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.35 1gqg h SER 170 CO -0.87 0.71 0.25 0.74 -0.53 0.00 0.00 176.83 177.13 1gqg h THR 171 N 0.47 0.96 -0.43 2.23 2.02 -0.85 -2.57 112.91 114.75 1gqg h THR 171 Ca 0.12 -0.17 -0.11 0.00 0.77 0.00 0.00 66.41 67.02 1gqg h THR 171 Cb 0.37 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1gqg h THR 171 CO 0.01 0.09 -0.17 -0.07 0.37 0.00 0.00 175.52 175.74 1gqg h LEU 172 N 0.49 0.82 -1.07 2.58 3.38 -0.10 -2.93 115.31 118.49 1gqg h LEU 172 Ca 0.21 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1gqg h LEU 172 Cb 0.12 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1gqg h LEU 172 CO -0.15 0.99 0.23 1.56 0.09 0.00 0.00 178.44 181.16 1gqg h GLN 173 N 0.73 0.89 0.00 1.13 4.20 -1.16 -0.27 115.11 120.62 1gqg h GLN 173 Ca 0.11 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1gqg h GLN 173 Cb 0.68 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1gqg h GLN 173 CO 0.05 0.74 0.00 0.77 -0.67 0.00 0.00 178.83 179.72 1gqg h SER 174 N 0.88 0.00 -0.67 1.46 0.02 -1.27 0.16 113.55 114.12 1gqg h SER 174 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1gqg h SER 174 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1gqg h SER 174 CO -0.02 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.16 1gqg n PHE 175 N -2.78 1.36 -3.35 3.45 3.72 -0.23 -4.93 117.46 114.70 1gqg n PHE 175 Ca -0.01 -0.57 -0.18 0.00 -0.05 0.00 0.00 57.45 56.64 1gqg n PHE 175 Cb 0.14 -0.18 0.06 0.00 -0.94 0.00 0.00 39.48 38.56 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 1.28 -5.20 -4.05 4.37 2.03 0.05 -4.91 116.55 110.12 1gqg n ASP 176 Ca 0.25 -0.43 -0.31 0.00 0.52 0.00 0.00 54.79 54.82 1gqg n ASP 176 Cb 0.82 -4.08 -0.16 0.00 -0.72 0.00 0.00 41.12 36.98 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 -3.25 1.85 -0.24 5.18 1.01 -0.50 -4.24 120.40 120.20 1gqg s VAL 177 Ca 0.43 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1gqg s VAL 177 Cb -0.19 -1.82 0.04 0.00 0.00 0.00 0.00 36.38 34.41 1gqg s VAL 177 CO 0.57 0.29 -0.11 -0.31 0.00 0.00 0.00 175.10 175.54 1gqg s TYR 178 N 1.33 3.12 0.48 5.22 1.51 -0.28 -3.01 117.35 125.72 1gqg s TYR 178 Ca 0.00 -2.00 -0.23 0.00 -1.01 0.00 0.00 57.07 53.83 1gqg s TYR 178 Cb -0.15 -1.96 -0.07 0.00 -0.11 0.00 0.00 41.96 39.67 1gqg s TYR 178 CO -0.09 -0.83 1.32 0.00 -1.11 0.00 0.00 175.55 174.83 1gqg s ALA 179 N 1.20 3.01 -0.65 3.71 0.00 -1.26 -0.65 121.76 127.11 1gqg s ALA 179 Ca -0.04 1.25 0.05 0.00 0.00 0.00 0.00 51.96 53.22 1gqg s ALA 179 Cb -0.18 -3.52 0.16 0.00 0.00 0.00 0.00 23.12 19.59 1gqg s ALA 179 CO -0.07 -1.08 0.45 -1.21 0.00 0.00 0.00 175.76 173.85 1gqg s GLU 180 N -2.65 2.25 0.43 0.00 0.41 -0.79 -4.86 118.70 113.49 1gqg s GLU 180 Ca 0.65 -3.13 0.13 0.00 -0.41 0.00 0.00 54.97 52.21 1gqg s GLU 180 Cb -0.38 -3.21 0.94 0.00 -1.78 0.00 0.00 34.13 29.71 1gqg s GLU 180 CO 0.47 -1.27 1.98 -0.07 -0.49 0.00 0.00 175.26 175.87 1gqg h LEU 181 N 5.57 0.07 0.00 1.80 4.07 -1.94 -2.60 115.31 122.28 1gqg h LEU 181 Ca 0.13 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1gqg h LEU 181 Cb 0.79 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.51 1gqg h LEU 181 CO 0.68 0.24 0.00 -1.54 -1.08 0.00 0.00 178.44 176.74 1gqg n SER 182 N -4.32 0.00 -4.68 -0.43 3.41 -1.26 -4.81 113.62 101.54 1gqg n SER 182 Ca -0.02 0.29 -0.43 0.00 -0.26 0.00 0.00 58.87 58.46 1gqg n SER 182 Cb 0.24 -0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 63.74 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 -2.85 3.00 -0.27 7.33 5.36 -0.98 -5.01 117.98 124.55 1gqg s PHE 183 Ca 0.17 1.08 -0.00 0.00 -0.96 0.00 0.00 56.93 57.22 1gqg s PHE 183 Cb 0.18 -3.48 0.05 0.00 -0.34 0.00 0.00 43.02 39.42 1gqg s PHE 183 CO 0.46 -1.61 -0.05 0.99 -1.46 0.00 0.00 175.22 173.56 1gqg s THR 184 N 2.79 2.71 0.19 0.12 2.01 -1.26 -4.93 115.64 117.26 1gqg s THR 184 Ca 0.56 -1.37 -0.33 0.00 0.31 0.00 0.00 61.69 60.86 1gqg s THR 184 Cb -0.24 -2.52 -0.13 0.00 0.01 0.00 0.00 72.50 69.62 1gqg s THR 184 CO 0.19 -0.01 1.63 -2.65 -0.69 0.00 0.00 174.62 173.09 1gqg n PRO 185 N 4.58 2.41 -2.07 4.92 -0.02 -1.26 -4.89 135.00 138.67 1gqg n PRO 185 Ca -0.14 0.87 -0.37 0.00 -2.02 0.00 0.00 63.50 61.83 1gqg n PRO 185 Cb 0.44 -2.66 0.01 0.00 -0.02 0.00 0.00 33.50 31.27 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 0.89 3.46 -0.21 -0.52 1.70 -1.26 -4.94 118.95 118.06 1gqg s ARG 186 Ca 0.76 1.94 0.12 0.00 -0.47 0.00 0.00 55.73 58.08 1gqg s ARG 186 Cb -0.60 -2.30 0.42 0.00 -0.57 0.00 0.00 34.95 31.89 1gqg s ARG 186 CO 0.37 -0.84 1.25 0.25 -1.08 0.00 0.00 175.30 175.24 1gqg n THR 187 N -0.80 2.22 -1.71 4.99 -2.24 -1.26 -4.67 114.28 110.81 1gqg n THR 187 Ca 0.09 -3.04 -0.12 0.00 -2.27 0.00 0.00 64.05 58.71 1gqg n THR 187 Cb 0.47 -0.25 0.12 0.00 -2.10 0.00 0.00 70.33 68.57 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 -1.15 3.72 -4.76 3.42 5.75 -1.26 -5.04 116.55 117.23 1gqg n ASP 188 Ca 0.21 -3.81 -0.41 0.00 -0.01 0.00 0.00 54.79 50.77 1gqg n ASP 188 Cb 0.73 -0.52 -0.02 0.00 -1.03 0.00 0.00 41.12 40.29 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 -3.93 2.40 -0.04 2.12 2.01 -1.26 -4.78 115.64 112.15 1gqg s THR 189 Ca 0.47 0.36 -0.01 0.00 0.31 0.00 0.00 61.69 62.82 1gqg s THR 189 Cb 0.41 -3.23 0.03 0.00 0.01 0.00 0.00 72.50 69.72 1gqg s THR 189 CO -0.00 0.07 0.07 -0.69 -0.69 0.00 0.00 174.62 173.38 1gqg s VAL 190 N -0.52 -0.09 -1.47 3.82 1.01 -0.79 -4.85 120.40 117.51 1gqg s VAL 190 Ca 0.56 0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.71 1gqg s VAL 190 Cb -0.44 -0.15 0.06 0.00 0.00 0.00 0.00 36.38 35.85 1gqg s VAL 190 CO 0.51 0.12 0.81 0.59 0.00 0.00 0.00 175.10 177.13 1gqg n ASN 191 N 4.59 -4.93 -0.17 3.32 3.02 -1.26 -2.36 115.26 117.48 1gqg n ASN 191 Ca -0.19 -0.58 -0.02 0.00 -0.03 0.00 0.00 54.58 53.76 1gqg n ASN 191 Cb 0.50 -3.96 -0.01 0.00 -0.61 0.00 0.00 39.78 35.70 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 -1.56 0.56 3.34 7.41 0.00 -1.26 -4.96 105.19 108.72 1gqg n GLY 192 Ca -0.00 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.00 0.04 -0.12 2.61 -1.32 -1.00 -0.14 115.64 113.72 1gqg s THR 193 Ca 0.00 -0.36 -0.28 0.00 -1.21 0.00 0.00 61.69 59.84 1gqg s THR 193 Cb 0.00 -0.88 0.07 0.00 -1.51 0.00 0.00 72.50 70.18 1gqg s THR 193 CO 0.00 -0.20 0.66 0.00 -2.21 0.00 0.00 174.62 172.87 1gqg s ALA 194 N -1.97 -1.69 1.07 11.08 0.00 -0.82 -1.89 121.76 127.54 1gqg s ALA 194 Ca -0.08 1.49 -0.13 0.00 0.00 0.00 0.00 51.96 53.23 1gqg s ALA 194 Cb -0.02 -0.39 0.18 0.00 0.00 0.00 0.00 23.12 22.89 1gqg s ALA 194 CO 0.01 -0.35 0.87 -0.35 0.00 0.00 0.00 175.76 175.94 1gqg n PRO 195 N 1.56 -1.55 -0.26 0.00 -0.04 -1.26 -1.40 135.00 132.06 1gqg n PRO 195 Ca -0.17 -1.35 0.02 0.00 -0.04 0.00 0.00 63.50 61.96 1gqg n PRO 195 Cb 0.56 -1.04 0.25 0.00 -0.04 0.00 0.00 33.50 33.23 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 -2.12 1.50 -0.08 0.55 0.00 -1.92 -3.23 119.26 113.96 1gqg h ALA 196 Ca -0.30 -0.04 -0.43 0.00 0.00 0.00 0.00 54.91 54.14 1gqg h ALA 196 Cb 0.85 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1gqg h ALA 196 CO 0.20 0.42 1.49 0.27 0.00 0.00 0.00 179.25 181.63 1gqg n ASN 197 N -4.45 6.88 -4.30 0.00 6.94 -1.26 -4.86 115.26 114.21 1gqg n ASN 197 Ca 0.11 -2.61 -0.16 0.00 -0.02 0.00 0.00 54.58 51.90 1gqg n ASN 197 Cb 0.11 -1.46 -0.10 0.00 -2.36 0.00 0.00 39.78 35.97 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 1.08 1.14 -0.26 5.53 -4.23 -1.22 -5.14 115.64 112.55 1gqg s THR 198 Ca 0.67 -2.06 -0.03 0.00 -1.18 0.00 0.00 61.69 59.09 1gqg s THR 198 Cb 0.26 -2.15 0.02 0.00 1.34 0.00 0.00 72.50 71.97 1gqg s THR 198 CO -0.05 -0.49 -0.03 -0.69 -0.54 0.00 0.00 174.62 172.82 1gqg s VAL 199 N -3.35 3.15 -0.23 2.29 1.01 -1.26 -5.05 120.40 116.96 1gqg s VAL 199 Ca 0.24 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 1gqg s VAL 199 Cb 0.04 -2.60 0.09 0.00 0.00 0.00 0.00 36.38 33.91 1gqg s VAL 199 CO 0.06 0.18 0.16 0.86 0.00 0.00 0.00 175.10 176.36 1gqg s TRP 200 N 1.37 0.05 -0.62 5.22 -0.00 -1.26 -4.83 118.94 118.88 1gqg s TRP 200 Ca 0.01 -0.36 0.00 0.00 -0.00 0.00 0.00 56.10 55.75 1gqg s TRP 200 Cb -0.17 -0.66 0.00 0.00 -0.00 0.00 0.00 33.47 32.64 1gqg s TRP 200 CO -0.03 -0.68 0.00 0.72 -0.00 0.00 0.00 176.95 176.96 1gqg n HIS 201 N 5.28 0.00 -0.43 5.86 8.25 -1.26 -4.82 115.22 128.10 1gqg n HIS 201 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1gqg n HIS 201 Cb 0.47 -1.86 0.00 0.00 1.12 0.00 0.00 29.99 29.71 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 -2.42 0.55 0.00 1.59 -2.24 -1.26 -5.10 114.28 105.39 1gqg n THR 202 Ca -0.06 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1gqg n THR 202 Cb 0.40 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 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 -0.27 -0.74 3.77 3.38 0.00 -1.26 -5.11 105.19 104.96 1gqg n GLY 203 Ca 0.00 -1.07 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 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 3.38 -0.14 4.61 0.00 -1.26 -4.80 121.76 121.55 1gqg s ALA 204 Ca 0.00 1.22 -0.01 0.00 0.00 0.00 0.00 51.96 53.16 1gqg s ALA 204 Cb 0.00 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 1gqg s ALA 204 CO 0.00 -0.68 -0.10 -0.80 0.00 0.00 0.00 175.76 174.18 1gqg s ASN 205 N -0.63 4.28 0.05 0.00 0.02 -0.28 -4.96 114.94 113.41 1gqg s ASN 205 Ca 0.52 -0.27 -0.00 0.00 -1.02 0.00 0.00 52.86 52.09 1gqg s ASN 205 Cb -0.38 -1.67 -0.04 0.00 0.02 0.00 0.00 41.25 39.17 1gqg s ASN 205 CO 0.50 0.16 0.17 0.00 0.02 0.00 0.00 177.10 177.95 1gqg s ALA 206 N 0.42 3.89 0.58 0.60 0.00 -1.26 -4.09 121.76 121.90 1gqg s ALA 206 Ca -0.08 -0.86 -0.19 0.00 0.00 0.00 0.00 51.96 50.83 1gqg s ALA 206 Cb -0.15 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 1gqg s ALA 206 CO 0.04 0.79 1.20 -0.51 0.00 0.00 0.00 175.76 177.29 1gqg s LEU 207 N -2.32 3.69 0.18 0.00 1.02 -1.26 -4.82 118.68 115.16 1gqg s LEU 207 Ca 0.32 2.38 -0.32 0.00 0.02 0.00 0.00 54.13 56.53 1gqg s LEU 207 Cb -0.13 -4.58 -0.11 0.00 0.02 0.00 0.00 46.19 41.39 1gqg s LEU 207 CO 0.24 -1.54 1.65 0.00 0.02 0.00 0.00 176.35 176.72 1gqg s ALA 208 N -1.60 3.85 -0.74 4.21 0.00 -1.26 -4.87 121.76 121.35 1gqg s ALA 208 Ca 0.77 1.47 0.26 0.00 0.00 0.00 0.00 51.96 54.45 1gqg s ALA 208 Cb -0.30 -3.67 0.82 0.00 0.00 0.00 0.00 23.12 19.98 1gqg s ALA 208 CO 0.33 -0.88 1.78 -1.13 0.00 0.00 0.00 175.76 175.86 1gqg n SER 209 N 4.14 0.79 -4.47 0.00 3.41 -1.26 -4.73 113.62 111.50 1gqg n SER 209 Ca 0.15 0.58 -0.35 0.00 -0.26 0.00 0.00 58.87 58.98 1gqg n SER 209 Cb 0.37 -0.79 -0.12 0.00 -0.26 0.00 0.00 64.21 63.41 1gqg n SER 209 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1gqg s THR 210 N -3.10 4.16 0.41 6.66 2.01 -1.26 -5.01 115.64 119.51 1gqg s THR 210 Ca 0.11 -0.24 -0.26 0.00 0.31 0.00 0.00 61.69 61.61 1gqg s THR 210 Cb 0.12 -2.90 -0.09 0.00 0.01 0.00 0.00 72.50 69.65 1gqg s THR 210 CO 0.59 0.41 1.38 0.00 -0.69 0.00 0.00 174.62 176.31 1gqg s ALA 211 N 1.08 3.33 0.00 7.40 0.00 -1.26 -2.71 121.76 129.60 1gqg s ALA 211 Ca 0.03 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.37 1gqg s ALA 211 Cb -0.14 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1gqg s ALA 211 CO 0.02 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.20 1gqg n GLY 212 N 0.61 1.31 3.81 0.00 0.00 -1.26 -5.05 105.19 104.61 1gqg n GLY 212 Ca 0.03 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 -2.48 6.81 0.67 1.61 1.11 -1.10 -4.75 116.67 118.54 1gqg s ASP 213 Ca 0.00 0.96 -0.13 0.00 0.18 0.00 0.00 52.55 53.56 1gqg s ASP 213 Cb 0.00 -2.26 0.00 0.00 1.07 0.00 0.00 42.92 41.73 1gqg s ASP 213 CO 0.00 0.27 1.08 -2.16 1.18 0.00 0.00 175.17 175.54 1gqg s PRO 214 N -0.79 2.86 0.16 8.23 0.04 -1.26 -4.68 135.00 139.56 1gqg s PRO 214 Ca 0.24 1.19 -0.20 0.00 0.04 0.00 0.00 61.00 62.27 1gqg s PRO 214 Cb -0.17 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.45 1gqg s PRO 214 CO 0.13 -1.18 0.53 1.52 0.04 0.00 0.00 177.00 178.04 1gqg s TYR 215 N -2.66 -0.35 0.02 0.56 1.13 -1.09 -4.89 117.35 110.07 1gqg s TYR 215 Ca 0.63 0.07 0.03 0.00 -1.41 0.00 0.00 57.07 56.38 1gqg s TYR 215 Cb -0.17 0.44 -0.02 0.00 -1.10 0.00 0.00 41.96 41.12 1gqg s TYR 215 CO 0.46 -0.83 -0.09 -0.06 -2.51 0.00 0.00 175.55 172.52 1gqg s PHE 216 N -3.80 0.81 -0.15 -3.49 0.40 -1.26 -0.15 117.98 110.35 1gqg s PHE 216 Ca 0.03 -0.29 -0.00 0.00 -0.60 0.00 0.00 56.93 56.07 1gqg s PHE 216 Cb -0.00 -0.50 0.03 0.00 0.51 0.00 0.00 43.02 43.07 1gqg s PHE 216 CO -0.10 -0.02 -0.07 0.42 0.70 0.00 0.00 175.22 176.15 1gqg s ILE 217 N -0.70 1.14 0.42 0.64 1.01 -0.05 -4.78 121.20 118.88 1gqg s ILE 217 Ca -0.01 -0.53 -0.23 0.00 0.00 0.00 0.00 60.65 59.88 1gqg s ILE 217 Cb -0.06 -1.24 -0.09 0.00 0.01 0.00 0.00 42.46 41.08 1gqg s ILE 217 CO 0.00 0.23 1.02 0.00 0.00 0.00 0.00 174.94 176.20 1gqg s ALA 218 N 1.64 3.03 -0.31 9.38 0.00 -1.26 -0.88 121.76 133.36 1gqg s ALA 218 Ca 0.02 0.61 -0.37 0.00 0.00 0.00 0.00 51.96 52.22 1gqg s ALA 218 Cb -0.14 -3.24 -0.13 0.00 0.00 0.00 0.00 23.12 19.61 1gqg s ALA 218 CO -0.08 -0.14 2.03 -1.71 0.00 0.00 0.00 175.76 175.86 1gqg n ASN 219 N -0.36 2.30 0.00 0.00 5.15 -1.25 -0.77 115.26 120.33 1gqg n ASN 219 Ca 0.06 0.67 0.00 0.00 -0.60 0.00 0.00 54.58 54.72 1gqg n ASN 219 Cb 0.51 -1.23 0.00 0.00 -0.53 0.00 0.00 39.78 38.54 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 5.70 0.85 0.46 8.20 0.00 -1.26 -4.91 105.19 114.23 1gqg n GLY 220 Ca 0.36 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.47 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 -2.11 0.00 -2.33 1.61 7.02 0.05 -4.90 117.44 116.78 1gqg n TRP 221 Ca 0.00 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.22 1gqg n TRP 221 Cb 0.00 0.00 0.14 0.00 -2.42 0.00 0.00 31.31 29.03 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 -2.07 1.77 0.50 6.99 0.00 -1.26 -1.13 107.32 112.12 1gqg s GLY 222 Ca 0.16 -1.56 -0.21 0.00 0.00 0.00 0.00 44.72 43.12 1gqg s GLY 222 CO 0.44 -0.89 1.12 2.56 0.00 0.00 0.00 173.10 176.33 1gqg s PRO 223 N -5.46 3.61 0.10 2.90 0.04 -1.26 -4.90 135.00 130.02 1gqg s PRO 223 Ca 0.70 1.61 0.02 0.00 0.04 0.00 0.00 61.00 63.37 1gqg s PRO 223 Cb -0.04 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1gqg s PRO 223 CO 0.48 -0.64 -0.08 0.15 0.04 0.00 0.00 177.00 176.95 1gqg s LYS 224 N -3.05 0.84 -0.01 4.56 1.02 -1.25 -3.80 119.74 118.04 1gqg s LYS 224 Ca 0.68 -1.28 0.02 0.00 0.02 0.00 0.00 55.97 55.41 1gqg s LYS 224 Cb -0.24 -0.32 0.00 0.00 -0.52 0.00 0.00 37.83 36.76 1gqg s LYS 224 CO 0.28 0.01 -0.07 0.71 -0.92 0.00 0.00 175.35 175.36 1gqg s TYR 225 N -3.23 0.71 -0.25 3.18 1.51 -0.05 -1.72 117.35 117.50 1gqg s TYR 225 Ca 0.10 -0.15 -0.10 0.00 -1.01 0.00 0.00 57.07 55.91 1gqg s TYR 225 Cb 0.02 -0.50 -0.04 0.00 -0.11 0.00 0.00 41.96 41.33 1gqg s TYR 225 CO -0.03 -0.05 0.14 -1.17 -1.11 0.00 0.00 175.55 173.33 1gqg s LEU 226 N 0.07 3.90 -0.19 -1.29 2.96 0.47 -0.94 118.68 123.66 1gqg s LEU 226 Ca -0.01 -0.01 -0.05 0.00 -0.22 0.00 0.00 54.13 53.85 1gqg s LEU 226 Cb -0.06 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 1gqg s LEU 226 CO -0.00 0.01 0.01 0.21 -1.32 0.00 0.00 176.35 175.26 1gqg s ASN 227 N 1.37 5.02 -0.15 3.68 3.84 0.91 -1.40 114.94 128.21 1gqg s ASN 227 Ca 0.07 -0.12 0.17 0.00 0.21 0.00 0.00 52.86 53.19 1gqg s ASN 227 Cb -0.15 -1.85 0.41 0.00 -0.55 0.00 0.00 41.25 39.11 1gqg s ASN 227 CO 0.06 0.11 1.30 -1.20 -2.79 0.00 0.00 177.10 174.58 1gqg n SER 228 N 3.94 3.19 0.08 -4.21 7.64 -1.26 -1.03 113.62 121.97 1gqg n SER 228 Ca -0.17 -2.98 -0.10 0.00 1.01 0.00 0.00 58.87 56.63 1gqg n SER 228 Cb 0.52 -0.47 -0.05 0.00 -1.01 0.00 0.00 64.21 63.20 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 1.05 0.20 -2.08 1.43 4.20 -1.94 -3.38 115.11 114.58 1gqg h GLN 229 Ca 0.00 -0.25 -0.53 0.00 0.06 0.00 0.00 58.65 57.93 1gqg h GLN 229 Cb 1.21 0.08 -0.40 0.00 0.30 0.00 0.00 27.48 28.67 1gqg h GLN 229 CO 0.12 1.02 -1.01 0.66 -0.67 0.00 0.00 178.83 178.95 1gqg n TYR 230 N -3.60 1.30 -3.43 2.96 4.01 -1.26 -5.00 117.16 112.14 1gqg n TYR 230 Ca -0.04 -3.85 0.00 0.00 -0.16 0.00 0.00 57.90 53.84 1gqg n TYR 230 Cb 0.87 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 39.46 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 0.32 -1.87 3.74 2.72 0.00 -1.26 -4.82 105.19 104.02 1gqg n GLY 231 Ca 0.26 -1.48 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 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 3.40 -0.01 1.61 2.02 -1.26 -4.08 117.35 119.03 1gqg s TYR 232 Ca 0.00 0.30 0.02 0.00 -0.37 0.00 0.00 57.07 57.02 1gqg s TYR 232 Cb 0.00 -2.07 -0.00 0.00 -0.40 0.00 0.00 41.96 39.49 1gqg s TYR 232 CO 0.00 0.37 -0.05 -0.65 -1.57 0.00 0.00 175.55 173.65 1gqg s GLN 233 N -0.04 0.48 -0.22 -0.62 -0.21 -0.20 -1.04 119.66 117.81 1gqg s GLN 233 Ca 0.09 -0.18 -0.01 0.00 0.02 0.00 0.00 55.36 55.28 1gqg s GLN 233 Cb -0.12 -0.47 0.02 0.00 1.00 0.00 0.00 33.01 33.44 1gqg s GLN 233 CO 0.00 0.09 -0.11 0.42 -2.12 0.00 0.00 175.29 173.58 1gqg s ILE 234 N -0.00 2.60 -0.17 1.08 1.01 0.14 -0.06 121.20 125.80 1gqg s ILE 234 Ca 0.01 -0.97 -0.13 0.00 0.00 0.00 0.00 60.65 59.56 1gqg s ILE 234 Cb -0.04 -2.25 -0.05 0.00 0.01 0.00 0.00 42.46 40.14 1gqg s ILE 234 CO -0.00 0.33 0.25 -0.69 0.00 0.00 0.00 174.94 174.83 1gqg s VAL 235 N 1.32 5.33 -0.46 2.92 1.01 -0.12 -0.62 120.40 129.78 1gqg s VAL 235 Ca 0.02 0.45 0.02 0.00 0.00 0.00 0.00 61.98 62.47 1gqg s VAL 235 Cb -0.15 -3.59 0.12 0.00 0.00 0.00 0.00 36.38 32.76 1gqg s VAL 235 CO -0.07 0.41 0.22 0.00 0.00 0.00 0.00 175.10 175.65 1gqg s ALA 236 N 0.39 3.20 0.32 5.51 0.00 0.12 -0.87 121.76 130.43 1gqg s ALA 236 Ca 0.14 -2.91 -0.29 0.00 0.00 0.00 0.00 51.96 48.90 1gqg s ALA 236 Cb -0.12 -2.23 -0.11 0.00 0.00 0.00 0.00 23.12 20.65 1gqg s ALA 236 CO 0.02 -1.89 1.53 -2.14 0.00 0.00 0.00 175.76 173.28 1gqg s PRO 237 N 0.38 4.15 -0.12 0.00 0.02 -1.25 -1.78 135.00 136.39 1gqg s PRO 237 Ca 0.14 2.53 -0.01 0.00 0.02 0.00 0.00 61.00 63.67 1gqg s PRO 237 Cb -0.22 -3.02 -0.07 0.00 0.02 0.00 0.00 34.50 31.21 1gqg s PRO 237 CO -0.04 -0.55 -0.12 1.19 -0.33 0.00 0.00 177.00 177.15 1gqg n PHE 238 N 1.54 0.00 -4.27 6.54 3.72 0.90 -4.78 117.46 121.11 1gqg n PHE 238 Ca 0.05 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.24 1gqg n PHE 238 Cb 0.39 -0.44 -0.16 0.00 -0.94 0.00 0.00 39.48 38.32 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 -2.23 0.68 0.46 -4.37 1.01 0.02 -4.94 120.40 111.02 1gqg s VAL 239 Ca -0.16 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1gqg s VAL 239 Cb 0.05 -0.67 -0.00 0.00 0.00 0.00 0.00 36.38 35.75 1gqg s VAL 239 CO 0.25 0.25 0.03 0.35 0.00 0.00 0.00 175.10 175.99 1gqg n THR 240 N 3.96 0.00 -0.33 3.92 -2.24 -1.26 -2.12 114.28 116.20 1gqg n THR 240 Ca -0.25 -2.26 0.08 0.00 -2.27 0.00 0.00 64.05 59.35 1gqg n THR 240 Cb 0.51 0.53 0.27 0.00 -2.10 0.00 0.00 70.33 69.54 1gqg n THR 240 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gqg h ALA 241 N 1.33 1.59 -0.82 6.98 0.00 -1.92 0.55 119.26 126.98 1gqg h ALA 241 Ca -0.38 0.01 0.19 0.00 0.00 0.00 0.00 54.91 54.73 1gqg h ALA 241 Cb 1.19 -0.20 -0.12 0.00 0.00 0.00 0.00 17.79 18.67 1gqg h ALA 241 CO 0.62 0.18 0.28 1.15 0.00 0.00 0.00 179.25 181.48 1gqg h THR 242 N 0.94 0.50 0.10 0.00 2.02 -1.96 -0.56 112.91 113.95 1gqg h THR 242 Ca 0.47 -0.12 -0.35 0.00 0.77 0.00 0.00 66.41 67.18 1gqg h THR 242 Cb 0.49 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1gqg h THR 242 CO -0.23 0.06 -1.97 0.00 0.37 0.00 0.00 175.52 173.75 1gqg n GLN 243 N -5.10 0.73 -0.18 6.66 3.00 -0.54 -4.44 117.38 117.51 1gqg n GLN 243 Ca 0.18 0.29 -0.09 0.00 -0.01 0.00 0.00 57.00 57.36 1gqg n GLN 243 Cb 0.55 -1.69 0.01 0.00 0.00 0.00 0.00 30.24 29.10 1gqg n GLN 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1gqg h ALA 244 N -0.02 0.67 -0.71 -1.58 0.00 -0.77 -3.43 119.26 113.42 1gqg h ALA 244 Ca -0.44 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1gqg h ALA 244 Cb 1.93 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1gqg h ALA 244 CO 0.03 0.44 0.00 1.04 0.00 0.00 0.00 179.25 180.76 1gqg n GLN 245 N -4.37 0.00 0.10 0.00 6.02 -0.23 -1.62 117.38 117.28 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 0.28 0.00 0.43 0.00 1.02 0.00 0.00 30.24 31.97 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 3.11 0.44 0.23 1.08 5.75 -1.26 -1.37 116.55 124.53 1gqg n ASP 246 Ca 0.00 0.65 0.16 0.00 -0.01 0.00 0.00 54.79 55.59 1gqg n ASP 246 Cb 0.00 -0.73 0.64 0.00 -1.03 0.00 0.00 41.12 40.00 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 -5.69 2.12 1.35 -1.69 -3.47 112.91 105.53 1gqg h THR 247 Ca 0.00 -0.40 -0.14 0.00 -0.55 0.00 0.00 66.41 65.32 1gqg h THR 247 Cb 0.17 1.31 0.02 0.00 -1.73 0.00 0.00 68.15 67.92 1gqg h THR 247 CO 0.00 0.00 -0.33 -3.20 -0.25 0.00 0.00 175.52 171.74 1gqg n ASN 248 N -2.80 -7.01 -3.63 5.36 5.15 -0.47 -4.87 115.26 106.98 1gqg n ASN 248 Ca 0.01 -0.35 -0.08 0.00 -0.60 0.00 0.00 54.58 53.57 1gqg n ASN 248 Cb 0.27 -4.50 -0.02 0.00 -0.53 0.00 0.00 39.78 35.00 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 -3.06 -0.30 0.14 1.20 1.13 -1.22 -1.03 117.35 114.21 1gqg s TYR 249 Ca 0.07 0.02 0.07 0.00 -1.41 0.00 0.00 57.07 55.82 1gqg s TYR 249 Cb -0.01 0.61 -0.04 0.00 -1.10 0.00 0.00 41.96 41.42 1gqg s TYR 249 CO 0.78 -0.86 -0.16 0.95 -2.51 0.00 0.00 175.55 173.75 1gqg s THR 250 N -3.51 1.57 -0.06 -3.49 -4.23 -0.25 -4.59 115.64 101.08 1gqg s THR 250 Ca 0.07 -1.82 -0.05 0.00 -1.18 0.00 0.00 61.69 58.71 1gqg s THR 250 Cb -0.02 -1.69 0.02 0.00 1.34 0.00 0.00 72.50 72.15 1gqg s THR 250 CO -0.03 -0.37 0.16 -0.22 -0.54 0.00 0.00 174.62 173.62 1gqg s LEU 251 N -2.56 1.21 0.19 4.79 2.96 -0.90 -1.57 118.68 122.79 1gqg s LEU 251 Ca 0.12 0.33 -0.23 0.00 -0.22 0.00 0.00 54.13 54.13 1gqg s LEU 251 Cb -0.05 0.52 0.07 0.00 0.50 0.00 0.00 46.19 47.23 1gqg s LEU 251 CO 0.05 -0.08 0.98 -0.94 -1.32 0.00 0.00 176.35 175.04 1gqg s SER 252 N 0.36 -0.07 0.08 3.68 1.04 -0.42 -0.07 113.70 118.30 1gqg s SER 252 Ca -0.02 -0.61 0.04 0.00 0.48 0.00 0.00 55.95 55.84 1gqg s SER 252 Cb -0.04 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 1gqg s SER 252 CO -0.02 -1.02 0.02 0.42 0.98 0.00 0.00 173.24 173.62 1gqg s THR 253 N -2.65 4.13 -0.15 2.02 -4.23 -0.74 -0.02 115.64 114.01 1gqg s THR 253 Ca 0.17 -0.90 0.01 0.00 -1.18 0.00 0.00 61.69 59.79 1gqg s THR 253 Cb -0.02 -2.96 0.02 0.00 1.34 0.00 0.00 72.50 70.87 1gqg s THR 253 CO 0.05 0.15 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.47 1gqg s ILE 254 N -1.30 1.75 -0.02 2.99 1.01 -0.33 -0.70 121.20 124.59 1gqg s ILE 254 Ca 0.26 -0.76 -0.03 0.00 0.00 0.00 0.00 60.65 60.12 1gqg s ILE 254 Cb -0.12 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 1gqg s ILE 254 CO 0.18 0.49 0.15 -0.44 0.00 0.00 0.00 174.94 175.32 1gqg s SER 255 N 1.23 6.20 0.00 3.58 0.01 0.21 -0.86 113.70 124.07 1gqg s SER 255 Ca 0.01 0.32 0.02 0.00 1.31 0.00 0.00 55.95 57.60 1gqg s SER 255 Cb -0.14 -1.92 -0.01 0.00 0.21 0.00 0.00 66.02 64.16 1gqg s SER 255 CO -0.08 0.29 -0.06 -0.04 0.41 0.00 0.00 173.24 173.76 1gqg s MET 256 N -1.76 0.48 0.77 12.44 1.00 0.83 -0.69 119.30 132.37 1gqg s MET 256 Ca 0.24 -0.31 -0.05 0.00 0.00 0.00 0.00 55.69 55.58 1gqg s MET 256 Cb -0.12 -0.43 0.16 0.00 0.00 0.00 0.00 34.83 34.44 1gqg s MET 256 CO 0.15 0.11 1.05 -1.13 0.00 0.00 0.00 175.02 175.21 1gqg n SER 257 N 2.67 0.95 -4.75 3.03 3.41 -0.20 -1.84 113.62 116.90 1gqg n SER 257 Ca -0.15 -1.91 -0.30 0.00 -0.26 0.00 0.00 58.87 56.25 1gqg n SER 257 Cb 0.57 -0.73 0.12 0.00 -0.26 0.00 0.00 64.21 63.92 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 -3.21 2.76 -0.26 6.66 -4.23 -1.26 -4.30 115.64 111.79 1gqg s THR 258 Ca 0.66 0.25 -0.14 0.00 -1.18 0.00 0.00 61.69 61.28 1gqg s THR 258 Cb -0.03 -2.82 -0.04 0.00 1.34 0.00 0.00 72.50 70.94 1gqg s THR 258 CO 0.45 -0.32 0.31 -0.89 -0.54 0.00 0.00 174.62 173.63 1gqg s THR 259 N -3.02 5.23 0.65 3.99 2.01 -1.26 -4.50 115.64 118.74 1gqg s THR 259 Ca 0.63 0.45 -0.17 0.00 0.31 0.00 0.00 61.69 62.90 1gqg s THR 259 Cb -0.17 -3.64 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 1gqg s THR 259 CO 0.56 0.20 1.10 -2.65 -0.69 0.00 0.00 174.62 173.14 1gqg n PRO 260 N 5.11 0.87 0.30 4.92 -0.02 -1.26 -4.86 135.00 140.06 1gqg n PRO 260 Ca -0.10 0.35 0.17 0.00 -2.02 0.00 0.00 63.50 61.89 1gqg n PRO 260 Cb 0.51 -2.33 0.94 0.00 -0.02 0.00 0.00 33.50 32.59 1gqg n PRO 260 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1gqg h SER 261 N 0.29 0.00 0.52 2.55 4.64 -2.04 -1.38 113.55 118.13 1gqg h SER 261 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1gqg h SER 261 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1gqg h SER 261 CO 0.51 0.03 -0.17 0.35 -0.87 0.00 0.00 176.83 176.68 1gqg n THR 262 N -3.53 0.00 -4.22 2.95 -2.24 -1.26 -4.80 114.28 101.18 1gqg n THR 262 Ca -0.02 -0.04 -0.34 0.00 -2.27 0.00 0.00 64.05 61.37 1gqg n THR 262 Cb 0.14 -0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 68.17 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 -2.69 4.38 -0.07 2.28 1.01 -0.52 -5.08 120.40 119.71 1gqg s VAL 263 Ca 0.22 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.72 1gqg s VAL 263 Cb 0.19 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 1gqg s VAL 263 CO 0.53 0.50 0.96 -0.89 0.00 0.00 0.00 175.10 176.20 1gqg s THR 264 N 0.12 4.84 0.03 3.92 2.01 -1.26 -4.75 115.64 120.55 1gqg s THR 264 Ca 0.02 1.97 -0.30 0.00 0.31 0.00 0.00 61.69 63.69 1gqg s THR 264 Cb -0.13 -4.28 -0.07 0.00 0.01 0.00 0.00 72.50 68.03 1gqg s THR 264 CO 0.02 0.08 1.64 -0.69 -0.69 0.00 0.00 174.62 174.98 1gqg s VAL 265 N 1.56 3.25 0.61 3.82 1.01 -1.26 -4.95 120.40 124.44 1gqg s VAL 265 Ca 0.48 0.59 -0.16 0.00 0.00 0.00 0.00 61.98 62.89 1gqg s VAL 265 Cb -0.19 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1gqg s VAL 265 CO 0.21 -0.02 1.08 -2.16 0.00 0.00 0.00 175.10 174.22 1gqg s PRO 266 N 3.06 3.15 -0.18 2.72 0.04 -1.26 -5.03 135.00 137.49 1gqg s PRO 266 Ca 0.73 1.30 -0.06 0.00 0.04 0.00 0.00 61.00 63.01 1gqg s PRO 266 Cb -0.37 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 1gqg s PRO 266 CO 0.31 -0.96 0.03 0.99 0.04 0.00 0.00 177.00 177.42 1gqg s THR 267 N -2.36 4.50 0.13 1.26 2.01 -1.26 -4.55 115.64 115.37 1gqg s THR 267 Ca 0.65 -0.14 0.08 0.00 0.31 0.00 0.00 61.69 62.60 1gqg s THR 267 Cb -0.18 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 1gqg s THR 267 CO 0.37 0.46 -0.13 0.26 -0.69 0.00 0.00 174.62 174.90 1gqg s TRP 268 N 0.45 2.63 -0.20 4.92 0.52 0.71 -4.92 118.94 123.04 1gqg s TRP 268 Ca 0.01 -0.21 -0.11 0.00 0.02 0.00 0.00 56.10 55.80 1gqg s TRP 268 Cb -0.13 -1.36 0.06 0.00 -1.15 0.00 0.00 33.47 30.89 1gqg s TRP 268 CO 0.01 0.43 0.49 0.45 0.02 0.00 0.00 176.95 178.36 1gqg s SER 269 N -2.33 -0.64 0.05 2.95 0.15 -1.26 -0.41 113.70 112.20 1gqg s SER 269 Ca 0.21 1.08 0.02 0.00 0.70 0.00 0.00 55.95 57.95 1gqg s SER 269 Cb -0.10 0.95 -0.03 0.00 -1.71 0.00 0.00 66.02 65.13 1gqg s SER 269 CO 0.13 -0.21 -0.07 -0.36 1.20 0.00 0.00 173.24 173.93 1gqg s PHE 270 N 1.46 0.66 0.28 3.44 0.08 -1.26 -4.96 117.98 117.68 1gqg s PHE 270 Ca -0.10 -0.58 -0.03 0.00 0.12 0.00 0.00 56.93 56.35 1gqg s PHE 270 Cb -0.07 -0.40 0.39 0.00 -0.57 0.00 0.00 43.02 42.37 1gqg s PHE 270 CO -0.15 -0.11 1.92 -1.00 -0.10 0.00 0.00 175.22 175.79 1gqg h PRO 271 N 4.26 1.07 -6.19 0.24 0.13 -1.92 0.55 132.00 130.14 1gqg h PRO 271 Ca -0.35 -0.10 -0.57 0.00 -0.87 0.00 0.00 66.00 64.10 1gqg h PRO 271 Cb 1.20 -0.22 -0.03 0.00 0.13 0.00 0.00 31.00 32.07 1gqg h PRO 271 CO 0.45 0.76 -0.30 0.20 -0.23 0.00 0.00 178.00 178.88 1gqg s GLY 272 N -3.35 2.21 0.68 1.56 0.00 -1.25 -3.93 107.32 103.25 1gqg s GLY 272 Ca -0.11 -0.55 -0.17 0.00 0.00 0.00 0.00 44.72 43.88 1gqg s GLY 272 CO 0.80 -0.47 1.27 0.00 0.00 0.00 0.00 173.10 174.69 1gqg n ALA 273 N 0.01 0.88 -2.54 3.20 0.00 -1.26 -3.97 120.51 116.83 1gqg n ALA 273 Ca -0.02 -0.07 -0.10 0.00 0.00 0.00 0.00 53.44 53.25 1gqg n ALA 273 Cb 0.52 -2.30 -0.08 0.00 0.00 0.00 0.00 19.45 17.58 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 -4.00 -1.46 0.01 0.00 0.00 -0.26 -0.90 121.76 115.15 1gqg s ALA 275 Ca 0.20 0.37 -0.12 0.00 0.00 0.00 0.00 51.96 52.41 1gqg s ALA 275 Cb 0.05 0.85 0.01 0.00 0.00 0.00 0.00 23.12 24.03 1gqg s ALA 275 CO 0.01 -0.75 0.24 -0.59 0.00 0.00 0.00 175.76 174.68 1gqg s PHE 276 N -3.76 -0.06 -0.15 0.00 -0.12 -0.60 -1.42 117.98 111.87 1gqg s PHE 276 Ca 0.02 -0.00 0.02 0.00 -0.05 0.00 0.00 56.93 56.91 1gqg s PHE 276 Cb -0.00 0.03 0.01 0.00 -0.63 0.00 0.00 43.02 42.43 1gqg s PHE 276 CO -0.13 -0.39 -0.20 -1.14 -0.05 0.00 0.00 175.22 173.32 1gqg s GLN 277 N -1.82 3.07 0.21 1.99 0.74 -0.31 -0.73 119.66 122.82 1gqg s GLN 277 Ca -0.11 -0.82 -0.30 0.00 0.05 0.00 0.00 55.36 54.18 1gqg s GLN 277 Cb -0.04 -2.52 -0.09 0.00 1.10 0.00 0.00 33.01 31.46 1gqg s GLN 277 CO 0.01 -0.05 1.35 0.08 -0.55 0.00 0.00 175.29 176.13 1gqg s VAL 278 N 0.92 3.04 -0.24 1.34 1.01 -0.48 -0.69 120.40 125.30 1gqg s VAL 278 Ca -0.04 0.86 -0.09 0.00 0.00 0.00 0.00 61.98 62.71 1gqg s VAL 278 Cb -0.15 -3.55 -0.12 0.00 0.00 0.00 0.00 36.38 32.56 1gqg s VAL 278 CO -0.03 0.13 -0.28 0.00 0.00 0.00 0.00 175.10 174.91 1gqg n GLN 279 N 2.54 0.53 -4.12 2.72 1.13 0.51 0.01 117.38 120.69 1gqg n GLN 279 Ca 0.06 0.20 -0.15 0.00 -1.94 0.00 0.00 57.00 55.18 1gqg n GLN 279 Cb 0.42 -1.39 -0.13 0.00 0.11 0.00 0.00 30.24 29.25 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 -2.45 0.50 0.39 -1.09 2.12 -0.72 -4.65 118.70 112.80 1gqg s GLU 280 Ca -0.33 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 54.52 1gqg s GLU 280 Cb 0.12 -0.38 0.00 0.00 0.26 0.00 0.00 34.13 34.13 1gqg s GLU 280 CO 0.46 0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.67 1gqg n GLY 281 N 2.21 -1.84 2.74 -1.50 0.00 -1.26 -0.71 105.19 104.82 1gqg n GLY 281 Ca -0.18 -1.87 -0.20 0.00 0.00 0.00 0.00 46.02 43.77 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 0.12 -0.12 1.61 0.52 -1.26 -4.27 118.95 115.55 1gqg s ARG 282 Ca 0.00 0.22 0.02 0.00 -0.52 0.00 0.00 55.73 55.46 1gqg s ARG 282 Cb 0.00 -1.13 0.01 0.00 0.52 0.00 0.00 34.95 34.36 1gqg s ARG 282 CO 0.00 -0.57 -0.19 0.08 0.02 0.00 0.00 175.30 174.64 1gqg s VAL 283 N 2.27 1.75 -0.11 3.52 1.01 -0.74 -0.47 120.40 127.64 1gqg s VAL 283 Ca 0.05 -0.80 -0.15 0.00 0.00 0.00 0.00 61.98 61.08 1gqg s VAL 283 Cb -0.15 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 1gqg s VAL 283 CO -0.10 0.49 0.36 -0.69 0.00 0.00 0.00 175.10 175.17 1gqg s VAL 284 N 0.82 5.22 -0.03 2.92 1.01 0.25 -0.16 120.40 130.43 1gqg s VAL 284 Ca -0.09 0.71 0.05 0.00 0.00 0.00 0.00 61.98 62.65 1gqg s VAL 284 Cb -0.16 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1gqg s VAL 284 CO 0.00 0.42 -0.19 0.54 0.00 0.00 0.00 175.10 175.87 1gqg s VAL 285 N 0.11 1.54 -0.20 2.92 0.11 0.20 -1.58 120.40 123.50 1gqg s VAL 285 Ca 0.21 -0.80 -0.00 0.00 -2.93 0.00 0.00 61.98 58.45 1gqg s VAL 285 Cb -0.14 -1.30 0.05 0.00 -1.53 0.00 0.00 36.38 33.46 1gqg s VAL 285 CO 0.08 0.44 -0.04 -1.58 -3.33 0.00 0.00 175.10 170.66 1gqg s GLN 286 N -0.20 1.44 -0.11 1.54 0.74 0.54 -1.21 119.66 122.40 1gqg s GLN 286 Ca 0.01 -0.73 0.03 0.00 0.05 0.00 0.00 55.36 54.72 1gqg s GLN 286 Cb -0.10 -2.30 -0.00 0.00 1.10 0.00 0.00 33.01 31.70 1gqg s GLN 286 CO 0.01 -0.53 -0.20 0.42 -0.55 0.00 0.00 175.29 174.43 1gqg s ILE 287 N 1.55 2.35 0.00 -2.34 1.01 -1.26 -0.82 121.20 121.69 1gqg s ILE 287 Ca -0.02 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.72 1gqg s ILE 287 Cb -0.17 -1.93 0.00 0.00 0.01 0.00 0.00 42.46 40.37 1gqg s ILE 287 CO -0.07 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.03 1gqg n GLY 288 N 3.60 3.11 1.85 6.18 0.00 -0.08 -1.87 105.19 117.96 1gqg n GLY 288 Ca -0.19 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.75 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 2.79 5.58 -4.89 1.61 5.75 -1.26 -4.97 116.55 121.16 1gqg n ASP 289 Ca 0.00 -2.84 -0.29 0.00 -0.01 0.00 0.00 54.79 51.65 1gqg n ASP 289 Cb 0.00 -0.67 -0.00 0.00 -1.03 0.00 0.00 41.12 39.42 1gqg n ASP 289 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1gqg s TYR 290 N -2.58 3.56 0.43 2.11 1.51 -0.78 -5.04 117.35 116.55 1gqg s TYR 290 Ca 0.54 0.99 -0.24 0.00 -1.01 0.00 0.00 57.07 57.36 1gqg s TYR 290 Cb 0.40 -2.45 -0.08 0.00 -0.11 0.00 0.00 41.96 39.73 1gqg s TYR 290 CO 0.18 -0.36 1.20 0.00 -1.11 0.00 0.00 175.55 175.46 1gqg s ALA 291 N -2.79 3.08 0.51 3.71 0.00 -1.26 -4.48 121.76 120.53 1gqg s ALA 291 Ca 0.50 1.01 -0.23 0.00 0.00 0.00 0.00 51.96 53.25 1gqg s ALA 291 Cb -0.10 -3.41 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 1gqg s ALA 291 CO 0.44 -0.67 1.37 0.00 0.00 0.00 0.00 175.76 176.91 1gqg s ALA 292 N -1.44 2.96 0.00 0.00 0.00 -1.26 -4.77 121.76 117.25 1gqg s ALA 292 Ca 0.60 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.93 1gqg s ALA 292 Cb -0.31 -3.57 -0.00 0.00 0.00 0.00 0.00 23.12 19.23 1gqg s ALA 292 CO 0.39 -1.30 -0.01 0.99 0.00 0.00 0.00 175.76 175.83 1gqg s THR 293 N -1.28 0.07 -0.18 0.00 2.01 -0.35 -4.96 115.64 110.95 1gqg s THR 293 Ca 0.68 -0.15 -0.12 0.00 0.31 0.00 0.00 61.69 62.40 1gqg s THR 293 Cb -0.41 -0.09 -0.05 0.00 0.01 0.00 0.00 72.50 71.96 1gqg s THR 293 CO 0.50 -0.05 0.24 -0.70 -0.69 0.00 0.00 174.62 173.92 1gqg s GLU 294 N -0.21 4.22 0.01 4.92 2.12 -1.26 -0.63 118.70 127.87 1gqg s GLU 294 Ca -0.02 -0.03 0.01 0.00 0.36 0.00 0.00 54.97 55.30 1gqg s GLU 294 Cb -0.02 -3.44 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 1gqg s GLU 294 CO -0.00 0.23 0.04 -0.51 -0.54 0.00 0.00 175.26 174.48 1gqg s LEU 295 N 0.52 3.69 0.00 2.70 1.02 0.78 -4.94 118.68 122.45 1gqg s LEU 295 Ca 0.13 0.04 0.00 0.00 0.02 0.00 0.00 54.13 54.32 1gqg s LEU 295 Cb -0.12 -2.18 0.00 0.00 0.02 0.00 0.00 46.19 43.91 1gqg s LEU 295 CO 0.02 0.26 0.00 0.61 0.02 0.00 0.00 176.35 177.26 1gqg n GLY 296 N 1.16 5.78 3.73 -3.19 0.00 -1.26 -1.78 105.19 109.63 1gqg n GLY 296 Ca -0.13 -2.12 -0.63 0.00 0.00 0.00 0.00 46.02 43.14 1gqg n GLY 296 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gqg n SER 297 N -0.58 1.83 0.00 1.61 7.64 -1.26 -1.57 113.62 121.28 1gqg n SER 297 Ca 0.00 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1gqg n SER 297 Cb 0.00 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 1gqg n SER 297 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gqg n GLY 298 N 4.14 2.19 3.77 0.23 0.00 0.10 -4.57 105.19 111.06 1gqg n GLY 298 Ca 0.29 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.56 6.47 -0.07 1.61 1.01 -0.61 -3.75 116.67 117.77 1gqg s ASP 299 Ca 0.00 2.31 0.05 0.00 0.71 0.00 0.00 52.55 55.62 1gqg s ASP 299 Cb 0.00 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.31 1gqg s ASP 299 CO 0.00 -0.71 -0.22 -0.69 0.21 0.00 0.00 175.17 173.76 1gqg s VAL 300 N -1.46 2.30 -0.07 -1.27 1.01 -0.22 -1.38 120.40 119.31 1gqg s VAL 300 Ca 0.58 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.62 1gqg s VAL 300 Cb -0.29 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 1gqg s VAL 300 CO 0.37 0.57 -0.16 0.00 0.00 0.00 0.00 175.10 175.88 1gqg s ALA 301 N -0.09 2.56 -0.12 5.51 0.00 0.09 -0.91 121.76 128.80 1gqg s ALA 301 Ca -0.05 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 50.97 1gqg s ALA 301 Cb -0.14 -0.99 0.01 0.00 0.00 0.00 0.00 23.12 22.00 1gqg s ALA 301 CO 0.04 0.44 -0.22 0.12 0.00 0.00 0.00 175.76 176.14 1gqg s PHE 302 N -0.31 2.55 -0.21 0.00 5.36 0.82 -1.55 117.98 124.64 1gqg s PHE 302 Ca 0.02 -1.19 0.01 0.00 -0.96 0.00 0.00 56.93 54.82 1gqg s PHE 302 Cb -0.13 -1.73 0.03 0.00 -0.34 0.00 0.00 43.02 40.85 1gqg s PHE 302 CO 0.03 -0.52 -0.16 0.42 -1.46 0.00 0.00 175.22 173.52 1gqg s ILE 303 N 0.65 2.18 0.57 3.12 1.09 -0.08 -2.36 121.20 126.36 1gqg s ILE 303 Ca -0.12 -1.12 -0.20 0.00 -1.10 0.00 0.00 60.65 58.12 1gqg s ILE 303 Cb -0.16 -2.03 -0.04 0.00 -1.06 0.00 0.00 42.46 39.17 1gqg s ILE 303 CO 0.02 0.37 1.24 -2.84 -0.10 0.00 0.00 174.94 173.63 1gqg s PRO 304 N 1.25 3.05 0.35 2.79 0.02 -1.26 -1.17 135.00 140.03 1gqg s PRO 304 Ca 0.01 1.92 -0.29 0.00 0.02 0.00 0.00 61.00 62.67 1gqg s PRO 304 Cb -0.15 -2.03 -0.11 0.00 0.02 0.00 0.00 34.50 32.22 1gqg s PRO 304 CO -0.10 -1.17 1.50 0.41 -0.33 0.00 0.00 177.00 177.31 1gqg n GLY 305 N 0.59 1.18 1.75 0.52 0.00 -1.25 -2.31 105.19 105.67 1gqg n GLY 305 Ca 0.13 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 0.93 1.31 3.77 -0.02 0.00 0.19 -4.87 105.19 106.50 1gqg n GLY 306 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.85 5.27 0.27 1.61 1.01 -0.98 -4.89 120.40 119.84 1gqg s VAL 307 Ca 0.00 0.58 -0.30 0.00 0.00 0.00 0.00 61.98 62.27 1gqg s VAL 307 Cb 0.00 -3.62 -0.09 0.00 0.00 0.00 0.00 36.38 32.66 1gqg s VAL 307 CO 0.00 0.46 1.09 -1.61 0.00 0.00 0.00 175.10 175.04 1gqg s GLU 308 N -0.09 4.65 0.06 2.72 2.02 -1.26 -4.55 118.70 122.26 1gqg s GLU 308 Ca 0.18 1.78 -0.09 0.00 0.02 0.00 0.00 54.97 56.86 1gqg s GLU 308 Cb -0.14 -3.20 0.00 0.00 0.10 0.00 0.00 34.13 30.89 1gqg s GLU 308 CO 0.06 0.22 0.20 -0.59 0.02 0.00 0.00 175.26 175.17 1gqg s PHE 309 N -1.08 0.10 0.03 1.61 -0.71 0.46 -0.90 117.98 117.48 1gqg s PHE 309 Ca 0.45 -0.42 0.03 0.00 -1.04 0.00 0.00 56.93 55.95 1gqg s PHE 309 Cb -0.31 -0.04 -0.02 0.00 -1.21 0.00 0.00 43.02 41.44 1gqg s PHE 309 CO 0.40 -0.49 -0.11 0.15 -1.34 0.00 0.00 175.22 173.83 1gqg s LYS 310 N -3.22 0.72 0.03 1.99 1.02 -0.00 -0.21 119.74 120.06 1gqg s LYS 310 Ca 0.00 -0.64 -0.09 0.00 0.02 0.00 0.00 55.97 55.26 1gqg s LYS 310 Cb 0.02 -0.65 0.00 0.00 -0.52 0.00 0.00 37.83 36.68 1gqg s LYS 310 CO -0.07 0.16 0.18 1.52 -0.92 0.00 0.00 175.35 176.21 1gqg s TYR 311 N -0.84 0.05 0.15 3.18 1.13 -1.26 -0.34 117.35 119.41 1gqg s TYR 311 Ca -0.02 -0.22 -0.21 0.00 -1.41 0.00 0.00 57.07 55.22 1gqg s TYR 311 Cb -0.07 -0.04 0.06 0.00 -1.10 0.00 0.00 41.96 40.81 1gqg s TYR 311 CO 0.01 -0.38 0.53 1.52 -2.51 0.00 0.00 175.55 174.71 1gqg s TYR 312 N -2.17 -0.42 -0.18 -3.49 -0.85 -0.61 -4.86 117.35 104.78 1gqg s TYR 312 Ca -0.08 0.17 -0.13 0.00 -0.52 0.00 0.00 57.07 56.51 1gqg s TYR 312 Cb -0.03 0.45 -0.05 0.00 0.38 0.00 0.00 41.96 42.72 1gqg s TYR 312 CO -0.02 -0.80 0.25 0.45 -1.52 0.00 0.00 175.55 173.91 1gqg s SER 313 N -2.77 6.36 0.02 -0.18 0.15 -1.26 -0.58 113.70 115.44 1gqg s SER 313 Ca 0.02 0.41 0.06 0.00 0.70 0.00 0.00 55.95 57.14 1gqg s SER 313 Cb -0.00 -2.16 -0.24 0.00 -1.71 0.00 0.00 66.02 61.92 1gqg s SER 313 CO -0.12 0.10 0.92 -0.08 1.20 0.00 0.00 173.24 175.26 1gqg h GLU 314 N 6.80 0.07 -7.18 5.44 4.57 -1.13 -3.40 114.58 119.75 1gqg h GLU 314 Ca -0.40 -0.12 -0.50 0.00 -1.18 0.00 0.00 59.36 57.15 1gqg h GLU 314 Cb 1.16 0.04 0.08 0.00 -0.16 0.00 0.00 28.75 29.88 1gqg h GLU 314 CO 0.75 0.85 0.38 0.00 -1.18 0.00 0.00 179.01 179.81 1gqg s ALA 315 N -2.64 2.61 0.40 2.92 0.00 -1.04 -4.93 121.76 119.08 1gqg s ALA 315 Ca -0.04 0.52 0.26 0.00 0.00 0.00 0.00 51.96 52.70 1gqg s ALA 315 Cb 0.08 -3.29 1.37 0.00 0.00 0.00 0.00 23.12 21.29 1gqg s ALA 315 CO 0.83 -1.02 2.05 1.88 0.00 0.00 0.00 175.76 179.49 1gqg h TYR 316 N 0.34 0.00 -2.97 0.00 0.05 -1.90 -3.37 116.97 109.11 1gqg h TYR 316 Ca -0.47 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.11 1gqg h TYR 316 Cb 1.24 0.00 -0.30 0.00 1.01 0.00 0.00 36.73 38.68 1gqg h TYR 316 CO 0.56 0.13 -0.49 0.12 -1.05 0.00 0.00 178.16 177.43 1gqg s PHE 317 N -4.20 -0.36 0.10 4.88 2.19 -1.26 -3.97 117.98 115.36 1gqg s PHE 317 Ca -0.03 0.85 0.04 0.00 0.33 0.00 0.00 56.93 58.13 1gqg s PHE 317 Cb 0.13 0.04 -0.04 0.00 -1.31 0.00 0.00 43.02 41.84 1gqg s PHE 317 CO 0.60 -0.27 -0.11 -1.12 1.83 0.00 0.00 175.22 176.15 1gqg s SER 318 N 1.53 1.59 -0.02 6.13 0.01 -0.77 -4.28 113.70 117.89 1gqg s SER 318 Ca -0.07 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.37 1gqg s SER 318 Cb -0.11 -0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.14 1gqg s SER 318 CO -0.09 -0.24 0.01 -0.75 0.41 0.00 0.00 173.24 172.58 1gqg s LYS 319 N -2.81 0.13 0.13 12.44 2.20 0.11 -0.12 119.74 131.81 1gqg s LYS 319 Ca 0.07 0.09 0.07 0.00 -0.36 0.00 0.00 55.97 55.83 1gqg s LYS 319 Cb -0.03 -0.31 -0.04 0.00 -1.51 0.00 0.00 37.83 35.94 1gqg s LYS 319 CO 0.01 -0.11 -0.16 0.14 -0.36 0.00 0.00 175.35 174.87 1gqg s VAL 320 N 0.78 1.52 -0.21 4.02 -7.23 -0.04 -0.36 120.40 118.88 1gqg s VAL 320 Ca -0.07 -1.71 -0.16 0.00 -1.81 0.00 0.00 61.98 58.23 1gqg s VAL 320 Cb -0.10 -1.58 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 1gqg s VAL 320 CO -0.02 -0.31 0.43 -0.22 -0.31 0.00 0.00 175.10 174.67 1gqg s LEU 321 N -2.36 4.14 -0.07 1.32 2.96 0.13 -1.18 118.68 123.63 1gqg s LEU 321 Ca 0.09 0.53 0.04 0.00 -0.22 0.00 0.00 54.13 54.58 1gqg s LEU 321 Cb -0.06 -2.55 -0.00 0.00 0.50 0.00 0.00 46.19 44.07 1gqg s LEU 321 CO 0.04 -0.11 -0.22 0.12 -1.32 0.00 0.00 176.35 174.86 1gqg s PHE 322 N 1.46 2.24 0.00 5.38 5.36 0.97 -1.16 117.98 132.24 1gqg s PHE 322 Ca 0.20 -0.79 0.05 0.00 -0.96 0.00 0.00 56.93 55.43 1gqg s PHE 322 Cb -0.15 -1.50 -0.02 0.00 -0.34 0.00 0.00 43.02 41.01 1gqg s PHE 322 CO 0.08 -0.30 -0.17 0.54 -1.46 0.00 0.00 175.22 173.92 1gqg s VAL 323 N 0.17 1.32 -0.03 3.12 0.11 -0.51 -1.30 120.40 123.27 1gqg s VAL 323 Ca -0.11 -0.82 -0.02 0.00 -2.93 0.00 0.00 61.98 58.09 1gqg s VAL 323 Cb -0.15 -1.12 0.02 0.00 -1.53 0.00 0.00 36.38 33.60 1gqg s VAL 323 CO 0.06 0.28 0.08 -0.55 -3.33 0.00 0.00 175.10 171.63 1gqg s SER 324 N -0.63 -0.05 0.05 3.54 0.15 -0.61 -1.10 113.70 115.04 1gqg s SER 324 Ca 0.06 0.16 -0.28 0.00 0.70 0.00 0.00 55.95 56.58 1gqg s SER 324 Cb -0.07 0.11 -0.05 0.00 -1.71 0.00 0.00 66.02 64.31 1gqg s SER 324 CO 0.00 -0.07 0.90 -0.55 1.20 0.00 0.00 173.24 174.71 1gqg s SER 325 N 0.51 7.35 0.00 5.45 0.15 -0.03 -1.09 113.70 126.04 1gqg s SER 325 Ca -0.04 1.62 0.00 0.00 0.70 0.00 0.00 55.95 58.23 1gqg s SER 325 Cb -0.05 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1gqg s SER 325 CO -0.02 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1gqg n GLY 326 N 2.53 1.83 0.05 9.45 0.00 -0.20 -3.95 105.19 114.90 1gqg n GLY 326 Ca 0.02 -2.10 0.11 0.00 0.00 0.00 0.00 46.02 44.05 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 0.56 -2.66 1.61 3.41 -1.26 -3.39 113.62 111.88 1gqg n SER 327 Ca 0.00 -0.02 -0.19 0.00 -0.26 0.00 0.00 58.87 58.40 1gqg n SER 327 Cb 0.00 0.94 0.01 0.00 -0.26 0.00 0.00 64.21 64.89 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 -2.22 3.00 -2.53 4.04 9.92 -1.26 -4.86 116.55 122.63 1gqg n ASP 328 Ca 0.00 -3.24 0.00 0.00 -0.53 0.00 0.00 54.79 51.02 1gqg n ASP 328 Cb 0.49 -0.51 0.00 0.00 -0.64 0.00 0.00 41.12 40.46 1gqg n ASP 328 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1gqg n GLY 329 N -0.22 -0.99 0.12 0.44 0.00 -1.26 -4.64 105.19 98.64 1gqg n GLY 329 Ca 0.25 -1.64 -0.07 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.22 -0.53 0.99 5.85 -1.97 -0.77 115.31 118.66 1gqg h LEU 330 Ca 0.00 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1gqg h LEU 330 Cb 0.00 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1gqg h LEU 330 CO 0.00 -0.07 0.30 -2.24 -0.34 0.00 0.00 178.44 176.09 1gqg h ASP 331 N 0.01 0.66 -0.59 1.25 2.03 -1.97 -0.65 116.42 117.16 1gqg h ASP 331 Ca 0.12 -0.08 -0.06 0.00 -0.73 0.00 0.00 57.03 56.28 1gqg h ASP 331 Cb 0.18 -0.17 -0.03 0.00 -0.83 0.00 0.00 39.33 38.49 1gqg h ASP 331 CO -0.25 0.55 0.15 -0.61 -1.03 0.00 0.00 179.24 178.04 1gqg h GLN 332 N 0.71 0.97 -0.14 4.15 5.75 -1.82 -1.33 115.11 123.40 1gqg h GLN 332 Ca 0.19 -0.22 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1gqg h GLN 332 Cb 0.03 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 1gqg h GLN 332 CO -0.03 0.87 0.09 -0.97 -2.65 0.00 0.00 178.83 176.14 1gqg h ASN 333 N 0.93 0.17 -0.86 -0.69 -0.73 -0.49 0.40 115.58 114.31 1gqg h ASN 333 Ca 0.20 -0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.32 1gqg h ASN 333 Cb 0.34 -0.04 -0.04 0.00 0.27 0.00 0.00 38.32 38.84 1gqg h ASN 333 CO 0.00 0.16 0.49 -0.07 -0.37 0.00 0.00 177.43 177.64 1gqg h LEU 334 N 0.17 1.05 -0.01 0.34 3.38 -0.86 -1.02 115.31 118.36 1gqg h LEU 334 Ca 0.05 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1gqg h LEU 334 Cb 0.01 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 1gqg h LEU 334 CO -0.01 0.83 0.01 0.58 0.09 0.00 0.00 178.44 179.94 1gqg h VAL 335 N 1.19 1.03 0.00 1.22 2.07 -0.97 -1.75 116.25 119.04 1gqg h VAL 335 Ca 0.30 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.72 1gqg h VAL 335 Cb -0.00 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1gqg h VAL 335 CO -0.05 0.02 -0.08 0.78 0.02 0.00 0.00 177.57 178.26 1gqg h ASN 336 N -0.01 0.00 -0.35 0.57 -0.26 -0.56 -0.54 115.58 114.42 1gqg h ASN 336 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1gqg h ASN 336 Cb 0.03 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.29 1gqg h ASN 336 CO -0.00 0.08 0.00 0.61 -1.06 0.00 0.00 177.43 177.06 1gqg n GLY 337 N -1.30 1.01 0.00 2.83 0.00 -0.42 -4.94 105.19 102.38 1gqg n GLY 337 Ca -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 1.27 6.77 3.08 -0.02 0.00 -0.21 -4.68 105.19 111.41 1gqg n GLY 338 Ca 0.17 -1.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.13 1gqg n GLY 338 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1gqg s GLU 339 N 1.40 0.55 0.40 1.61 -1.05 -0.49 -4.95 118.70 116.16 1gqg s GLU 339 Ca 0.00 -0.87 -0.26 0.00 -0.15 0.00 0.00 54.97 53.68 1gqg s GLU 339 Cb 0.00 0.20 -0.10 0.00 -0.44 0.00 0.00 34.13 33.79 1gqg s GLU 339 CO 0.00 -0.12 1.32 0.39 0.95 0.00 0.00 175.26 177.80 1gqg n GLU 340 N 0.71 2.11 -3.86 -4.83 1.02 -1.26 -0.40 120.64 114.13 1gqg n GLU 340 Ca -0.18 0.75 -0.12 0.00 -0.02 0.00 0.00 57.16 57.58 1gqg n GLU 340 Cb 0.59 -2.44 -0.13 0.00 -0.02 0.00 0.00 31.44 29.43 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 -1.17 -0.04 -0.65 -0.32 -0.11 -0.70 -4.66 118.94 111.30 1gqg s TRP 341 Ca 0.59 0.11 0.14 0.00 1.22 0.00 0.00 56.10 58.16 1gqg s TRP 341 Cb -0.51 0.01 0.45 0.00 -1.50 0.00 0.00 33.47 31.92 1gqg s TRP 341 CO 0.60 -0.05 1.37 -1.13 -4.62 0.00 0.00 176.95 173.12 1gqg n SER 342 N 2.90 3.56 -4.23 5.86 3.41 -1.26 -3.89 113.62 119.98 1gqg n SER 342 Ca -0.13 -2.47 -0.19 0.00 -0.26 0.00 0.00 58.87 55.81 1gqg n SER 342 Cb 0.59 -0.40 -0.12 0.00 -0.26 0.00 0.00 64.21 64.02 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 -1.36 1.99 0.00 4.04 0.15 -1.26 -5.01 113.70 112.25 1gqg s SER 343 Ca 0.34 -0.72 0.28 0.00 0.70 0.00 0.00 55.95 56.56 1gqg s SER 343 Cb 0.24 -0.08 1.03 0.00 -1.71 0.00 0.00 66.02 65.50 1gqg s SER 343 CO 0.14 -0.08 1.79 1.33 1.20 0.00 0.00 173.24 177.62 1gqg n VAL 344 N 0.90 0.01 -4.08 4.45 0.24 -1.26 -4.81 118.33 113.78 1gqg n VAL 344 Ca -0.18 -0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 61.83 1gqg n VAL 344 Cb 0.55 -0.30 -0.06 0.00 -1.47 0.00 0.00 33.84 32.57 1gqg n VAL 344 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1gqg s SER 345 N -3.02 5.43 0.52 -1.34 0.01 -1.26 -5.04 113.70 109.01 1gqg s SER 345 Ca 0.13 -0.11 0.03 0.00 1.31 0.00 0.00 55.95 57.32 1gqg s SER 345 Cb 0.19 -1.41 0.03 0.00 0.21 0.00 0.00 66.02 65.04 1gqg s SER 345 CO 0.58 0.12 0.73 0.72 0.41 0.00 0.00 173.24 175.79 1gqg s PHE 346 N -1.58 2.77 0.72 2.43 -0.12 -1.26 -5.04 117.98 115.90 1gqg s PHE 346 Ca 0.30 -0.14 -0.16 0.00 -0.05 0.00 0.00 56.93 56.88 1gqg s PHE 346 Cb -0.11 -2.65 0.03 0.00 -0.63 0.00 0.00 43.02 39.66 1gqg s PHE 346 CO 0.22 -0.79 1.20 -2.30 -0.05 0.00 0.00 175.22 173.50 1gqg n PRO 347 N -2.23 0.65 0.15 1.99 -0.02 -1.26 -4.91 135.00 129.37 1gqg n PRO 347 Ca 0.08 0.28 0.13 0.00 -2.02 0.00 0.00 63.50 61.98 1gqg n PRO 347 Cb 0.60 -2.44 0.41 0.00 -0.02 0.00 0.00 33.50 32.04 1gqg n PRO 347 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gqg h ALA 348 N -0.17 1.00 -4.08 3.55 0.00 -2.08 -3.44 119.26 114.04 1gqg h ALA 348 Ca -0.48 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 53.74 1gqg h ALA 348 Cb 1.32 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.87 1gqg h ALA 348 CO 0.49 0.00 -0.87 -0.51 0.00 0.00 0.00 179.25 178.36 1gqg s ASP 349 N -4.93 3.19 0.00 0.00 1.01 -1.26 -5.29 116.67 109.40 1gqg s ASP 349 Ca 0.07 -0.67 0.15 0.00 0.71 0.00 0.00 52.55 52.81 1gqg s ASP 349 Cb 0.10 -0.25 0.89 0.00 1.01 0.00 0.00 42.92 44.67 1gqg s ASP 349 CO 0.56 0.21 1.31 0.79 0.21 0.00 0.00 175.17 178.24