#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 3.09 0.19 0.00 0.15 -1.26 -4.93 113.70 110.94 1gqg s SER 4 Ca 0.00 2.10 -0.12 0.00 0.70 0.00 0.00 55.95 58.63 1gqg s SER 4 Cb 0.00 -2.55 0.10 0.00 -1.71 0.00 0.00 66.02 61.87 1gqg s SER 4 CO 0.00 -2.98 1.85 0.25 1.20 0.00 0.00 173.24 173.56 1gqg h LEU 5 N -1.78 0.73 -9.31 3.45 5.85 -1.94 -3.41 115.31 108.89 1gqg h LEU 5 Ca -0.44 -0.03 -0.57 0.00 0.84 0.00 0.00 57.88 57.68 1gqg h LEU 5 Cb 1.27 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 42.05 1gqg h LEU 5 CO 0.43 0.54 0.11 -0.63 -0.34 0.00 0.00 178.44 178.56 1gqg s ILE 6 N -6.09 5.03 0.21 4.05 1.01 -1.26 -0.79 121.20 123.36 1gqg s ILE 6 Ca -0.13 1.40 0.09 0.00 0.00 0.00 0.00 60.65 62.01 1gqg s ILE 6 Cb 0.13 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.53 1gqg s ILE 6 CO 0.76 0.21 -0.17 0.68 0.00 0.00 0.00 174.94 176.43 1gqg s VAL 7 N 1.09 1.94 -0.14 2.92 -7.23 -0.38 -4.94 120.40 113.66 1gqg s VAL 7 Ca 0.36 -2.19 0.20 0.00 -1.81 0.00 0.00 61.98 58.53 1gqg s VAL 7 Cb -0.17 -2.06 -0.16 0.00 0.56 0.00 0.00 36.38 34.54 1gqg s VAL 7 CO 0.16 -0.48 0.71 -0.62 -0.31 0.00 0.00 175.10 174.56 1gqg n GLU 8 N -0.28 0.63 -4.08 4.82 -0.58 -1.26 -4.36 120.64 115.53 1gqg n GLU 8 Ca -0.08 0.06 -0.13 0.00 -0.42 0.00 0.00 57.16 56.58 1gqg n GLU 8 Cb 0.59 -1.71 -0.12 0.00 -0.57 0.00 0.00 31.44 29.64 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 -5.29 0.81 0.42 1.62 1.01 -1.26 -1.05 116.67 112.93 1gqg s ASP 9 Ca -0.04 -0.47 -0.26 0.00 0.71 0.00 0.00 52.55 52.49 1gqg s ASP 9 Cb 0.10 0.02 -0.10 0.00 1.01 0.00 0.00 42.92 43.95 1gqg s ASP 9 CO 0.83 -0.16 1.40 0.00 0.21 0.00 0.00 175.17 177.46 1gqg n ALA 10 N 1.72 1.90 -0.68 5.23 0.00 -1.26 -4.95 120.51 122.47 1gqg n ALA 10 Ca -0.21 0.28 -0.30 0.00 0.00 0.00 0.00 53.44 53.21 1gqg n ALA 10 Cb 0.55 -2.36 0.19 0.00 0.00 0.00 0.00 19.45 17.83 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 -2.27 0.43 -0.03 0.00 0.02 -1.26 -4.93 135.00 126.95 1gqg s PRO 11 Ca 0.59 1.29 0.14 0.00 0.02 0.00 0.00 61.00 63.04 1gqg s PRO 11 Cb -0.48 -1.68 0.45 0.00 0.02 0.00 0.00 34.50 32.82 1gqg s PRO 11 CO 0.59 -2.95 1.35 -0.40 -0.33 0.00 0.00 177.00 175.27 1gqg n ASP 12 N -4.43 2.92 -3.82 2.53 5.68 -1.26 -3.63 116.55 114.54 1gqg n ASP 12 Ca 0.09 -2.12 -0.09 0.00 -0.50 0.00 0.00 54.79 52.17 1gqg n ASP 12 Cb 0.53 -0.38 -0.03 0.00 -1.14 0.00 0.00 41.12 40.09 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 -1.50 -0.07 -0.07 2.11 -3.43 -1.25 -4.76 115.29 106.32 1gqg s HIS 13 Ca 0.33 -0.31 -0.30 0.00 -0.80 0.00 0.00 55.06 53.98 1gqg s HIS 13 Cb 0.19 0.48 -0.03 0.00 -1.43 0.00 0.00 32.58 31.79 1gqg s HIS 13 CO 0.20 -1.05 1.19 0.08 -2.00 0.00 0.00 174.74 173.16 1gqg s VAL 14 N -3.91 4.30 -0.02 -5.38 1.01 -1.25 -4.56 120.40 110.60 1gqg s VAL 14 Ca 0.12 1.62 -0.29 0.00 0.00 0.00 0.00 61.98 63.43 1gqg s VAL 14 Cb -0.03 -4.04 0.10 0.00 0.00 0.00 0.00 36.38 32.41 1gqg s VAL 14 CO 0.03 -0.01 0.90 0.00 0.00 0.00 0.00 175.10 176.01 1gqg s ARG 15 N 2.27 0.80 0.36 2.72 1.70 -1.26 -5.06 118.95 120.48 1gqg s ARG 15 Ca 0.55 -0.27 -0.28 0.00 -0.47 0.00 0.00 55.73 55.26 1gqg s ARG 15 Cb -0.24 0.37 -0.10 0.00 -0.57 0.00 0.00 34.95 34.41 1gqg s ARG 15 CO 0.21 -0.35 1.39 -2.14 -1.08 0.00 0.00 175.30 173.33 1gqg s PRO 16 N -2.97 4.22 0.18 3.89 0.02 -1.26 -4.61 135.00 134.46 1gqg s PRO 16 Ca 0.04 2.37 -0.23 0.00 0.02 0.00 0.00 61.00 63.21 1gqg s PRO 16 Cb -0.01 -3.00 0.06 0.00 0.02 0.00 0.00 34.50 31.57 1gqg s PRO 16 CO -0.08 -0.36 0.65 1.52 -0.33 0.00 0.00 177.00 178.40 1gqg s TYR 17 N -1.14 -0.44 -0.03 6.54 1.13 -0.98 -4.88 117.35 117.56 1gqg s TYR 17 Ca 0.51 0.18 0.05 0.00 -1.41 0.00 0.00 57.07 56.40 1gqg s TYR 17 Cb -0.43 0.59 -0.01 0.00 -1.10 0.00 0.00 41.96 41.02 1gqg s TYR 17 CO 0.57 -0.92 -0.18 0.08 -2.51 0.00 0.00 175.55 172.59 1gqg s VAL 18 N -3.74 1.48 -0.08 -3.49 1.01 0.03 -0.88 120.40 114.72 1gqg s VAL 18 Ca 0.04 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1gqg s VAL 18 Cb -0.02 -1.24 0.02 0.00 0.00 0.00 0.00 36.38 35.14 1gqg s VAL 18 CO -0.08 0.42 -0.08 -0.51 0.00 0.00 0.00 175.10 174.85 1gqg s ILE 19 N -0.25 0.90 0.56 2.22 2.07 -0.20 -1.25 121.20 125.25 1gqg s ILE 19 Ca 0.03 -0.27 -0.18 0.00 -1.41 0.00 0.00 60.65 58.81 1gqg s ILE 19 Cb -0.09 -0.90 -0.05 0.00 0.13 0.00 0.00 42.46 41.55 1gqg s ILE 19 CO 0.01 0.33 1.10 -0.13 -1.91 0.00 0.00 174.94 174.33 1gqg s ARG 20 N 1.27 3.34 0.21 3.50 1.81 -1.26 -1.33 118.95 126.50 1gqg s ARG 20 Ca -0.04 1.46 -0.32 0.00 -1.72 0.00 0.00 55.73 55.11 1gqg s ARG 20 Cb -0.14 -2.02 -0.14 0.00 -0.45 0.00 0.00 34.95 32.20 1gqg s ARG 20 CO -0.03 -0.83 1.28 1.58 -0.68 0.00 0.00 175.30 176.63 1gqg n HIS 21 N -1.54 1.72 -1.36 -0.53 -0.00 -1.25 -1.66 115.22 110.60 1gqg n HIS 21 Ca 0.10 0.56 -0.12 0.00 0.46 0.00 0.00 57.72 58.72 1gqg n HIS 21 Cb 0.52 -2.37 -0.05 0.00 -0.12 0.00 0.00 29.99 27.97 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 -0.80 1.57 4.01 -1.26 -4.98 117.16 117.36 1gqg n TYR 22 Ca 0.13 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.57 1gqg n TYR 22 Cb 0.28 -2.37 0.18 0.00 -0.31 0.00 0.00 39.34 37.12 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 -2.77 2.58 0.17 7.72 0.01 -0.66 -4.82 113.70 115.93 1gqg s SER 23 Ca 0.00 1.83 -0.20 0.00 1.31 0.00 0.00 55.95 58.89 1gqg s SER 23 Cb 0.00 -2.41 0.08 0.00 0.21 0.00 0.00 66.02 63.90 1gqg s SER 23 CO 0.00 -3.25 1.64 -0.74 0.41 0.00 0.00 173.24 171.29 1gqg h HIS 24 N -1.97 -0.50 -6.61 2.43 2.76 -1.88 -3.46 115.15 105.92 1gqg h HIS 24 Ca -0.50 0.04 -0.52 0.00 -2.20 0.00 0.00 60.37 57.19 1gqg h HIS 24 Cb 1.29 0.28 -0.08 0.00 1.55 0.00 0.00 27.41 30.45 1gqg h HIS 24 CO 0.42 -0.28 -0.91 0.00 -1.30 0.00 0.00 177.93 175.87 1gqg n ALA 25 N -2.84 -2.05 -4.06 5.26 0.00 -0.21 -1.23 120.51 115.38 1gqg n ALA 25 Ca 0.02 -0.31 -0.27 0.00 0.00 0.00 0.00 53.44 52.87 1gqg n ALA 25 Cb 0.28 -1.49 -0.04 0.00 0.00 0.00 0.00 19.45 18.21 1gqg n ALA 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1gqg n ARG 26 N -4.44 -2.76 -1.77 0.00 1.74 -1.26 -0.84 116.66 107.33 1gqg n ARG 26 Ca -0.30 0.33 -0.40 0.00 -0.77 0.00 0.00 57.85 56.71 1gqg n ARG 26 Cb 0.68 -4.36 0.01 0.00 -1.02 0.00 0.00 32.46 27.77 1gqg n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gqg n ALA 27 N -4.44 2.16 -2.17 7.54 0.00 -0.36 -4.70 120.51 118.53 1gqg n ALA 27 Ca -0.29 0.27 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 1gqg n ALA 27 Cb 0.67 -2.41 -0.10 0.00 0.00 0.00 0.00 19.45 17.62 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 -1.18 0.50 0.06 0.00 -7.23 -0.88 -1.53 120.40 110.14 1gqg s VAL 28 Ca 0.59 -1.92 0.08 0.00 -1.81 0.00 0.00 61.98 58.92 1gqg s VAL 28 Cb -0.45 -1.85 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 1gqg s VAL 28 CO 0.59 -0.70 -0.20 0.42 -0.31 0.00 0.00 175.10 174.90 1gqg s THR 29 N -3.76 2.67 -0.26 5.32 -4.23 -0.01 -0.82 115.64 114.55 1gqg s THR 29 Ca 0.17 -1.29 0.01 0.00 -1.18 0.00 0.00 61.69 59.39 1gqg s THR 29 Cb 0.06 -2.13 0.07 0.00 1.34 0.00 0.00 72.50 71.84 1gqg s THR 29 CO -0.02 0.29 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.66 1gqg s VAL 30 N -0.95 1.48 0.00 2.29 1.01 -0.18 -1.17 120.40 122.88 1gqg s VAL 30 Ca 0.15 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.74 1gqg s VAL 30 Cb -0.10 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.41 1gqg s VAL 30 CO 0.05 -0.28 0.00 0.47 0.00 0.00 0.00 175.10 175.35 1gqg n ASP 31 N 4.66 0.00 -0.07 3.32 8.00 -1.26 -1.33 116.55 129.86 1gqg n ASP 31 Ca -0.08 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.56 1gqg n ASP 31 Cb 0.44 0.00 0.51 0.00 -0.02 0.00 0.00 41.12 42.04 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 -3.05 -3.53 -2.24 -1.26 -4.87 114.28 99.33 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 -0.07 -0.06 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 -2.72 4.48 -0.17 -0.78 -0.21 -0.44 -4.53 119.66 115.30 1gqg s GLN 33 Ca 0.21 1.05 -0.00 0.00 0.02 0.00 0.00 55.36 56.64 1gqg s GLN 33 Cb 0.19 -3.26 -0.00 0.00 1.00 0.00 0.00 33.01 30.94 1gqg s GLN 33 CO 0.54 0.58 -0.14 -1.17 -2.12 0.00 0.00 175.29 172.98 1gqg s LEU 34 N -1.09 2.52 -0.13 2.90 0.20 -0.15 -1.01 118.68 121.93 1gqg s LEU 34 Ca 0.34 -0.47 -0.04 0.00 0.69 0.00 0.00 54.13 54.66 1gqg s LEU 34 Cb -0.22 -1.58 -0.03 0.00 -0.43 0.00 0.00 46.19 43.92 1gqg s LEU 34 CO 0.24 0.07 0.00 -0.31 -0.29 0.00 0.00 176.35 176.06 1gqg s TYR 35 N 0.93 3.14 -0.01 5.38 1.51 -0.00 -0.85 117.35 127.45 1gqg s TYR 35 Ca -0.03 0.01 0.06 0.00 -1.01 0.00 0.00 57.07 56.10 1gqg s TYR 35 Cb -0.15 -1.91 -0.02 0.00 -0.11 0.00 0.00 41.96 39.78 1gqg s TYR 35 CO -0.02 0.24 -0.20 1.03 -1.11 0.00 0.00 175.55 175.49 1gqg s ARG 36 N -0.21 1.58 -0.64 -0.62 0.52 0.69 -2.07 118.95 118.21 1gqg s ARG 36 Ca 0.05 -0.73 -0.02 0.00 -0.52 0.00 0.00 55.73 54.52 1gqg s ARG 36 Cb -0.12 -1.54 0.16 0.00 0.52 0.00 0.00 34.95 33.97 1gqg s ARG 36 CO 0.02 0.42 0.45 -0.06 0.02 0.00 0.00 175.30 176.15 1gqg s PHE 37 N -0.49 3.41 0.16 -0.53 0.08 -0.02 -0.61 117.98 119.98 1gqg s PHE 37 Ca 0.08 -2.79 -0.05 0.00 0.12 0.00 0.00 56.93 54.29 1gqg s PHE 37 Cb -0.08 -3.16 0.01 0.00 -0.57 0.00 0.00 43.02 39.22 1gqg s PHE 37 CO -0.01 -0.82 1.42 1.88 -0.10 0.00 0.00 175.22 177.59 1gqg h TYR 38 N 6.87 0.73 -3.40 0.36 0.05 -1.48 -3.39 116.97 116.72 1gqg h TYR 38 Ca -0.00 -0.31 -0.51 0.00 0.05 0.00 0.00 58.73 57.96 1gqg h TYR 38 Cb 0.93 -0.12 -0.34 0.00 1.01 0.00 0.00 36.73 38.22 1gqg h TYR 38 CO 0.70 1.08 -0.81 0.08 -1.05 0.00 0.00 178.16 178.16 1gqg s VAL 39 N -3.75 1.08 0.49 -2.88 1.01 -0.66 -4.60 120.40 111.09 1gqg s VAL 39 Ca -0.07 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.51 1gqg s VAL 39 Cb 0.10 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 1gqg s VAL 39 CO 0.86 0.35 0.15 0.42 0.00 0.00 0.00 175.10 176.87 1gqg s THR 40 N 0.79 1.60 0.08 3.92 -4.23 -1.26 -1.27 115.64 115.27 1gqg s THR 40 Ca -0.12 -1.80 -0.36 0.00 -1.18 0.00 0.00 61.69 58.23 1gqg s THR 40 Cb -0.15 -2.40 -0.18 0.00 1.34 0.00 0.00 72.50 71.10 1gqg s THR 40 CO 0.02 0.00 1.55 1.23 -0.54 0.00 0.00 174.62 176.89 1gqg h GLY 41 N 1.24 -1.30 0.53 3.99 0.00 -1.85 -0.95 103.07 104.73 1gqg h GLY 41 Ca -0.42 0.58 0.11 0.00 0.00 0.00 0.00 47.33 47.59 1gqg h GLY 41 CO 0.69 -0.41 0.62 -2.55 0.00 0.00 0.00 176.54 174.90 1gqg h PRO 42 N -1.08 0.99 0.00 4.80 0.11 -1.91 0.33 132.00 135.24 1gqg h PRO 42 Ca -0.08 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.91 1gqg h PRO 42 Cb 0.91 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 1gqg h PRO 42 CO 0.00 0.65 -0.29 0.66 -0.21 0.00 0.00 178.00 178.82 1gqg h SER 43 N 1.02 0.00 -0.40 -2.05 4.64 -1.58 -3.14 113.55 112.03 1gqg h SER 43 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1gqg h SER 43 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1gqg h SER 43 CO -0.25 0.29 0.00 -1.54 -0.87 0.00 0.00 176.83 174.46 1gqg n SER 44 N -3.33 3.08 -2.62 4.97 3.41 -0.38 -4.24 113.62 114.52 1gqg n SER 44 Ca 0.01 -1.96 -0.20 0.00 -0.26 0.00 0.00 58.87 56.46 1gqg n SER 44 Cb 0.52 -0.27 0.02 0.00 -0.26 0.00 0.00 64.21 64.23 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 0.80 -0.41 2.38 5.00 0.00 -0.33 -2.44 105.19 110.19 1gqg n GLY 45 Ca 0.14 0.02 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 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 -4.32 0.00 -0.05 1.61 4.01 0.10 -4.92 117.16 113.59 1gqg n TYR 46 Ca -0.13 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.49 1gqg n TYR 46 Cb 0.62 -1.63 -0.07 0.00 -0.31 0.00 0.00 39.34 37.96 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 0.18 -2.30 -0.72 0.00 -1.72 -0.94 119.26 113.76 1gqg h ALA 47 Ca -0.14 -0.24 0.16 0.00 0.00 0.00 0.00 54.91 54.70 1gqg h ALA 47 Cb 0.62 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.26 1gqg h ALA 47 CO 0.20 -0.05 0.50 -0.59 0.00 0.00 0.00 179.25 179.30 1gqg s PHE 48 N -4.67 -0.19 -0.08 0.00 -0.12 -1.26 -3.27 117.98 108.39 1gqg s PHE 48 Ca -0.14 -0.06 0.04 0.00 -0.05 0.00 0.00 56.93 56.71 1gqg s PHE 48 Cb 0.05 0.61 -0.01 0.00 -0.63 0.00 0.00 43.02 43.04 1gqg s PHE 48 CO 0.72 -0.73 -0.21 0.99 -0.05 0.00 0.00 175.22 175.94 1gqg s THR 49 N -3.21 2.37 -0.22 -4.49 2.01 0.08 -4.30 115.64 107.88 1gqg s THR 49 Ca 0.10 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.18 1gqg s THR 49 Cb -0.01 -1.91 0.05 0.00 0.01 0.00 0.00 72.50 70.64 1gqg s THR 49 CO -0.01 0.56 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.13 1gqg s LEU 50 N -0.03 2.77 0.17 4.42 0.20 -0.39 -0.88 118.68 124.94 1gqg s LEU 50 Ca -0.06 -1.07 0.08 0.00 0.69 0.00 0.00 54.13 53.76 1gqg s LEU 50 Cb -0.15 -1.43 -0.04 0.00 -0.43 0.00 0.00 46.19 44.14 1gqg s LEU 50 CO 0.05 -0.13 -0.16 0.00 -0.29 0.00 0.00 176.35 175.81 1gqg s MET 51 N 1.24 1.25 -0.06 1.98 0.23 0.33 -1.31 119.30 122.96 1gqg s MET 51 Ca -0.03 -1.43 0.05 0.00 -1.03 0.00 0.00 55.69 53.24 1gqg s MET 51 Cb -0.17 -1.20 -0.00 0.00 -1.53 0.00 0.00 34.83 31.92 1gqg s MET 51 CO -0.08 0.23 -0.20 0.20 -2.03 0.00 0.00 175.02 173.15 1gqg s GLY 52 N -2.82 1.06 -0.16 3.16 0.00 0.22 -0.20 107.32 108.57 1gqg s GLY 52 Ca 0.17 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 44.11 1gqg s GLY 52 CO 0.06 -0.39 -0.20 -1.59 0.00 0.00 0.00 173.10 170.98 1gqg s THR 53 N 0.07 2.13 -0.07 0.90 2.01 0.20 -0.22 115.64 120.65 1gqg s THR 53 Ca -0.06 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.02 1gqg s THR 53 Cb -0.13 -1.87 -0.02 0.00 0.01 0.00 0.00 72.50 70.48 1gqg s THR 53 CO 0.03 0.54 -0.12 0.20 -0.69 0.00 0.00 174.62 174.58 1gqg s ASN 54 N 1.00 4.17 -0.03 3.53 -0.87 -0.03 -0.65 114.94 122.07 1gqg s ASN 54 Ca -0.02 -0.18 -0.30 0.00 -1.57 0.00 0.00 52.86 50.79 1gqg s ASN 54 Cb -0.15 -1.07 0.08 0.00 -0.02 0.00 0.00 41.25 40.09 1gqg s ASN 54 CO -0.06 0.31 0.70 0.00 -2.57 0.00 0.00 177.10 175.48 1gqg s ALA 55 N -0.52 -1.76 0.77 0.60 0.00 -0.89 -0.98 121.76 118.99 1gqg s ALA 55 Ca 0.07 1.23 -0.09 0.00 0.00 0.00 0.00 51.96 53.17 1gqg s ALA 55 Cb -0.12 0.06 0.09 0.00 0.00 0.00 0.00 23.12 23.16 1gqg s ALA 55 CO 0.02 -0.42 1.11 -1.25 0.00 0.00 0.00 175.76 175.21 1gqg s PRO 56 N -1.55 1.85 0.37 0.00 0.04 -1.26 -3.00 135.00 131.46 1gqg s PRO 56 Ca -0.08 -0.25 -0.26 0.00 0.04 0.00 0.00 61.00 60.45 1gqg s PRO 56 Cb -0.00 -2.07 -0.12 0.00 0.04 0.00 0.00 34.50 32.35 1gqg s PRO 56 CO 0.06 -1.54 1.13 1.58 0.04 0.00 0.00 177.00 178.27 1gqg n HIS 57 N -3.16 1.66 -4.24 0.56 -0.00 -1.22 -4.76 115.22 104.06 1gqg n HIS 57 Ca 0.10 0.58 -0.17 0.00 -0.00 0.00 0.00 57.72 58.22 1gqg n HIS 57 Cb 0.60 -2.31 -0.14 0.00 -0.00 0.00 0.00 29.99 28.15 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 -0.55 1.02 0.00 0.26 0.15 -0.37 -5.00 113.70 109.20 1gqg s SER 58 Ca 0.60 -0.29 0.28 0.00 0.70 0.00 0.00 55.95 57.24 1gqg s SER 58 Cb -0.58 -0.07 1.10 0.00 -1.71 0.00 0.00 66.02 64.76 1gqg s SER 58 CO 0.59 0.01 1.78 0.47 1.20 0.00 0.00 173.24 177.30 1gqg n ASP 59 N 2.38 0.54 -4.50 5.45 8.00 -1.26 -4.65 116.55 122.51 1gqg n ASP 59 Ca -0.16 -0.54 -0.24 0.00 0.71 0.00 0.00 54.79 54.55 1gqg n ASP 59 Cb 0.56 -0.04 -0.10 0.00 -0.02 0.00 0.00 41.12 41.53 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 -2.54 2.82 0.57 2.24 0.00 -1.26 -5.11 121.76 118.48 1gqg s ALA 60 Ca 0.26 -1.86 -0.20 0.00 0.00 0.00 0.00 51.96 50.16 1gqg s ALA 60 Cb 0.20 -0.32 -0.06 0.00 0.00 0.00 0.00 23.12 22.94 1gqg s ALA 60 CO 0.50 0.26 1.00 1.28 0.00 0.00 0.00 175.76 178.81 1gqg n LEU 61 N -0.67 3.67 0.09 0.00 4.77 -1.26 -4.62 117.00 118.98 1gqg n LEU 61 Ca -0.05 0.85 0.13 0.00 -0.03 0.00 0.00 56.01 56.91 1gqg n LEU 61 Cb 0.60 -1.40 0.35 0.00 -2.33 0.00 0.00 43.42 40.64 1gqg n LEU 61 CO 0.39 -1.70 0.75 0.61 -1.33 0.00 0.00 177.39 176.10 1gqg n GLY 62 N 1.23 -1.62 3.53 -0.72 0.00 0.86 -4.87 105.19 103.59 1gqg n GLY 62 Ca 0.13 -0.09 -0.15 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 -3.11 0.00 0.52 1.61 0.11 -1.26 -5.00 120.40 113.27 1gqg s VAL 63 Ca 0.10 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 58.95 1gqg s VAL 63 Cb 0.13 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.91 1gqg s VAL 63 CO 0.63 0.00 1.08 -0.76 -3.33 0.00 0.00 175.10 172.72 1gqg s LEU 64 N -1.37 3.77 0.26 2.54 1.43 -1.26 -4.60 118.68 119.45 1gqg s LEU 64 Ca -0.06 2.04 -0.30 0.00 -1.03 0.00 0.00 54.13 54.77 1gqg s LEU 64 Cb -0.00 -4.57 -0.13 0.00 0.03 0.00 0.00 46.19 41.52 1gqg s LEU 64 CO 0.05 -1.03 1.36 -2.65 0.23 0.00 0.00 176.35 174.31 1gqg n PRO 65 N -1.22 2.00 -3.85 1.29 -0.02 -1.26 -4.86 135.00 127.08 1gqg n PRO 65 Ca 0.10 0.71 -0.08 0.00 -2.02 0.00 0.00 63.50 62.21 1gqg n PRO 65 Cb 0.52 -2.34 -0.00 0.00 -0.02 0.00 0.00 33.50 31.66 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 -0.30 0.06 0.09 6.00 -3.43 -0.97 -1.85 115.29 114.89 1gqg s HIS 66 Ca 0.65 -0.61 0.07 0.00 -0.80 0.00 0.00 55.06 54.37 1gqg s HIS 66 Cb -0.64 0.70 -0.03 0.00 -1.43 0.00 0.00 32.58 31.18 1gqg s HIS 66 CO 0.53 -1.38 -0.17 0.42 -2.00 0.00 0.00 174.74 172.13 1gqg s ILE 67 N -3.09 1.42 -0.13 -5.38 1.01 0.01 -1.63 121.20 113.41 1gqg s ILE 67 Ca 0.15 -1.45 0.01 0.00 0.00 0.00 0.00 60.65 59.36 1gqg s ILE 67 Cb -0.05 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 41.08 1gqg s ILE 67 CO 0.10 -0.16 -0.16 -1.00 0.00 0.00 0.00 174.94 173.72 1gqg s HIS 68 N -1.27 2.75 -0.31 3.97 3.76 -1.26 -1.16 115.29 121.77 1gqg s HIS 68 Ca 0.03 -0.87 0.23 0.00 -0.15 0.00 0.00 55.06 54.30 1gqg s HIS 68 Cb -0.10 -1.83 0.10 0.00 1.11 0.00 0.00 32.58 31.86 1gqg s HIS 68 CO 0.03 -0.35 1.18 1.96 -0.85 0.00 0.00 174.74 176.72 1gqg h GLN 69 N 6.91 0.00 0.00 1.40 4.20 -1.96 -0.36 115.11 125.31 1gqg h GLN 69 Ca -0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1gqg h GLN 69 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1gqg h GLN 69 CO 0.54 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 180.33 1gqg n LYS 70 N -2.72 -0.08 -4.53 1.46 5.02 -1.26 -4.62 118.16 111.42 1gqg n LYS 70 Ca 0.01 -0.57 -0.26 0.00 -2.02 0.00 0.00 58.31 55.47 1gqg n LYS 70 Cb 0.54 -0.87 -0.14 0.00 -0.02 0.00 0.00 35.03 34.54 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 -0.17 1.93 -0.23 2.13 3.76 -1.26 -4.36 115.29 117.09 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 -1.11 -0.00 0.00 1.11 0.00 0.00 32.58 32.58 1gqg s HIS 71 CO 0.00 0.16 -0.03 -0.47 -0.85 0.00 0.00 174.74 173.55 1gqg s TYR 72 N -0.95 2.99 0.02 1.40 6.14 -0.12 -3.60 117.35 123.23 1gqg s TYR 72 Ca 0.08 -0.97 0.00 0.00 0.64 0.00 0.00 57.07 56.83 1gqg s TYR 72 Cb -0.09 -2.12 -0.04 0.00 0.42 0.00 0.00 41.96 40.13 1gqg s TYR 72 CO 0.03 -0.56 0.11 -1.21 0.64 0.00 0.00 175.55 174.56 1gqg s GLU 73 N 1.47 3.11 -0.10 4.97 8.01 -0.27 -1.37 118.70 134.53 1gqg s GLU 73 Ca 0.05 -0.51 0.01 0.00 0.01 0.00 0.00 54.97 54.54 1gqg s GLU 73 Cb -0.15 -2.88 0.02 0.00 -4.31 0.00 0.00 34.13 26.81 1gqg s GLU 73 CO -0.03 0.63 -0.11 -0.80 0.01 0.00 0.00 175.26 174.96 1gqg s ASN 74 N -2.00 2.13 -0.23 -0.19 0.01 0.00 -1.00 114.94 113.67 1gqg s ASN 74 Ca 0.26 -0.34 -0.07 0.00 -0.71 0.00 0.00 52.86 52.00 1gqg s ASN 74 Cb -0.12 -0.91 -0.03 0.00 0.41 0.00 0.00 41.25 40.59 1gqg s ASN 74 CO 0.18 -0.03 0.06 -0.36 -1.51 0.00 0.00 177.10 175.43 1gqg s PHE 75 N 1.18 3.11 -0.06 2.20 0.40 0.34 -1.65 117.98 123.50 1gqg s PHE 75 Ca -0.04 -0.30 0.03 0.00 -0.60 0.00 0.00 56.93 56.01 1gqg s PHE 75 Cb -0.14 -2.18 0.01 0.00 0.51 0.00 0.00 43.02 41.22 1gqg s PHE 75 CO -0.03 -0.22 -0.14 -0.47 0.70 0.00 0.00 175.22 175.06 1gqg s TYR 76 N 1.24 1.56 -0.47 0.36 5.04 -0.17 -0.62 117.35 124.28 1gqg s TYR 76 Ca 0.04 -0.55 -0.21 0.00 -2.44 0.00 0.00 57.07 53.91 1gqg s TYR 76 Cb -0.14 -1.11 0.03 0.00 0.35 0.00 0.00 41.96 41.09 1gqg s TYR 76 CO 0.03 -0.26 0.71 0.00 -1.34 0.00 0.00 175.55 174.70 1gqg h ASN 78 N 8.99 0.90 -5.04 0.00 2.35 -1.37 0.22 115.58 121.63 1gqg h ASN 78 Ca -0.26 -0.56 0.10 0.00 -0.55 0.00 0.00 56.30 55.03 1gqg h ASN 78 Cb 1.09 -0.26 -0.09 0.00 0.05 0.00 0.00 38.32 39.11 1gqg h ASN 78 CO 0.95 1.29 0.37 -1.59 -1.65 0.00 0.00 177.43 176.80 1gqg s LYS 79 N -4.03 1.29 4.04 0.81 -2.85 -1.19 -4.52 119.74 113.29 1gqg s LYS 79 Ca -0.11 -0.64 0.00 0.00 -1.00 0.00 0.00 55.97 54.22 1gqg s LYS 79 Cb 0.09 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.35 1gqg s LYS 79 CO 0.88 -0.58 0.00 0.41 0.10 0.00 0.00 175.35 176.16 1gqg n GLY 80 N -0.40 0.64 3.60 0.59 0.00 -1.19 -1.08 105.19 107.34 1gqg n GLY 80 Ca -0.08 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.52 0.02 1.61 1.04 -1.26 -3.49 113.70 107.10 1gqg s SER 81 Ca 0.00 0.84 -0.06 0.00 0.48 0.00 0.00 55.95 57.21 1gqg s SER 81 Cb 0.00 0.79 -0.00 0.00 0.10 0.00 0.00 66.02 66.91 1gqg s SER 81 CO 0.00 -0.29 0.12 0.72 0.98 0.00 0.00 173.24 174.77 1gqg s PHE 82 N -0.31 0.11 0.03 5.02 -0.12 -0.56 -0.70 117.98 121.46 1gqg s PHE 82 Ca -0.01 -0.30 -0.12 0.00 -0.05 0.00 0.00 56.93 56.44 1gqg s PHE 82 Cb -0.03 -0.09 -0.06 0.00 -0.63 0.00 0.00 43.02 42.21 1gqg s PHE 82 CO -0.00 -0.33 0.40 -1.14 -0.05 0.00 0.00 175.22 174.10 1gqg s GLN 83 N -1.95 3.84 -0.06 1.99 0.74 0.34 -0.42 119.66 124.14 1gqg s GLN 83 Ca -0.10 0.30 0.04 0.00 0.05 0.00 0.00 55.36 55.64 1gqg s GLN 83 Cb -0.05 -3.12 0.00 0.00 1.10 0.00 0.00 33.01 30.94 1gqg s GLN 83 CO -0.01 0.64 -0.17 -1.17 -0.55 0.00 0.00 175.29 174.03 1gqg s LEU 84 N -1.43 1.86 0.00 3.68 2.96 -0.00 -1.08 118.68 124.66 1gqg s LEU 84 Ca 0.27 -0.37 0.06 0.00 -0.22 0.00 0.00 54.13 53.88 1gqg s LEU 84 Cb -0.15 -1.00 -0.03 0.00 0.50 0.00 0.00 46.19 45.51 1gqg s LEU 84 CO 0.15 0.12 -0.19 0.26 -1.32 0.00 0.00 176.35 175.37 1gqg s TRP 85 N 0.29 2.56 -0.09 5.38 0.51 -0.56 -1.81 118.94 125.22 1gqg s TRP 85 Ca -0.10 -0.26 -0.15 0.00 -2.12 0.00 0.00 56.10 53.47 1gqg s TRP 85 Cb -0.14 -1.52 0.03 0.00 -0.81 0.00 0.00 33.47 31.03 1gqg s TRP 85 CO 0.04 0.18 0.38 0.00 -0.51 0.00 0.00 176.95 177.03 1gqg s ALA 86 N -0.80 -0.95 -0.16 0.98 0.00 -0.09 -2.54 121.76 118.19 1gqg s ALA 86 Ca 0.13 0.82 -0.11 0.00 0.00 0.00 0.00 51.96 52.80 1gqg s ALA 86 Cb -0.10 -0.33 0.05 0.00 0.00 0.00 0.00 23.12 22.74 1gqg s ALA 86 CO 0.03 -0.23 0.40 -1.14 0.00 0.00 0.00 175.76 174.82 1gqg s GLN 87 N -0.47 0.42 -0.14 0.00 0.74 -0.31 -0.96 119.66 118.94 1gqg s GLN 87 Ca -0.06 0.67 -0.03 0.00 0.05 0.00 0.00 55.36 56.00 1gqg s GLN 87 Cb -0.04 0.08 -0.03 0.00 1.10 0.00 0.00 33.01 34.13 1gqg s GLN 87 CO 0.03 -0.11 -0.04 0.45 -0.55 0.00 0.00 175.29 175.07 1gqg s SER 88 N 0.87 4.83 0.63 6.67 0.15 -1.26 -0.80 113.70 124.79 1gqg s SER 88 Ca -0.05 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.51 1gqg s SER 88 Cb -0.06 -1.69 0.00 0.00 -1.71 0.00 0.00 66.02 62.56 1gqg s SER 88 CO -0.07 0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.19 1gqg n GLY 89 N 3.25 2.88 1.19 9.45 0.00 -1.26 -1.07 105.19 119.63 1gqg n GLY 89 Ca -0.18 0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.00 1gqg n GLY 89 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gqg n ASN 90 N 2.81 3.90 -4.71 1.61 3.02 -1.26 -4.98 115.26 115.65 1gqg n ASN 90 Ca 0.00 -2.19 -0.32 0.00 -0.03 0.00 0.00 54.58 52.03 1gqg n ASN 90 Cb 0.00 -0.45 0.12 0.00 -0.61 0.00 0.00 39.78 38.84 1gqg n ASN 90 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1gqg s GLU 91 N -1.36 1.71 0.28 3.52 2.02 -0.23 -4.91 118.70 119.73 1gqg s GLU 91 Ca 0.42 1.55 -0.30 0.00 0.02 0.00 0.00 54.97 56.66 1gqg s GLU 91 Cb 0.24 -1.80 -0.13 0.00 0.10 0.00 0.00 34.13 32.54 1gqg s GLU 91 CO 0.24 -2.12 1.42 2.41 0.02 0.00 0.00 175.26 177.23 1gqg n THR 92 N -3.49 1.25 -2.22 3.63 -1.04 -1.26 -4.64 114.28 106.50 1gqg n THR 92 Ca 0.12 -0.31 -0.41 0.00 -2.04 0.00 0.00 64.05 61.40 1gqg n THR 92 Cb 0.52 -1.60 -0.03 0.00 -1.82 0.00 0.00 70.33 67.39 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 -0.84 4.39 0.03 -2.82 0.74 -1.26 -4.78 119.66 115.12 1gqg s GLN 93 Ca 0.64 2.05 0.06 0.00 0.05 0.00 0.00 55.36 58.15 1gqg s GLN 93 Cb -0.60 -3.20 -0.03 0.00 1.10 0.00 0.00 33.01 30.28 1gqg s GLN 93 CO 0.53 -0.26 -0.13 -0.65 -0.55 0.00 0.00 175.29 174.23 1gqg s GLN 94 N -0.05 2.27 -0.05 1.67 -1.52 -0.13 -4.37 119.66 117.49 1gqg s GLN 94 Ca 0.57 -0.88 -0.08 0.00 -1.95 0.00 0.00 55.36 53.02 1gqg s GLN 94 Cb -0.36 -2.32 0.01 0.00 -0.22 0.00 0.00 33.01 30.12 1gqg s GLN 94 CO 0.38 0.56 0.20 -0.08 -0.25 0.00 0.00 175.29 176.10 1gqg s THR 95 N -0.97 0.03 0.02 -0.19 -1.32 -0.52 -0.92 115.64 111.77 1gqg s THR 95 Ca 0.16 -0.26 0.00 0.00 -1.21 0.00 0.00 61.69 60.38 1gqg s THR 95 Cb -0.11 -0.37 -0.02 0.00 -1.51 0.00 0.00 72.50 70.49 1gqg s THR 95 CO 0.07 -0.14 -0.03 -0.13 -2.21 0.00 0.00 174.62 172.18 1gqg s ARG 96 N -0.50 0.27 -0.35 7.08 1.81 -0.75 -1.96 118.95 124.56 1gqg s ARG 96 Ca -0.06 -0.53 -0.15 0.00 -1.72 0.00 0.00 55.73 53.27 1gqg s ARG 96 Cb -0.04 0.09 -0.01 0.00 -0.45 0.00 0.00 34.95 34.54 1gqg s ARG 96 CO 0.01 -0.04 0.34 0.08 -0.68 0.00 0.00 175.30 175.01 1gqg s VAL 97 N -1.27 5.19 -0.07 3.52 1.01 0.15 -0.82 120.40 128.10 1gqg s VAL 97 Ca -0.14 -0.08 -0.21 0.00 0.00 0.00 0.00 61.98 61.56 1gqg s VAL 97 Cb -0.09 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1gqg s VAL 97 CO -0.01 -0.11 0.58 -0.76 0.00 0.00 0.00 175.10 174.80 1gqg s LEU 98 N 1.94 4.33 0.00 3.92 1.02 0.44 -4.94 118.68 125.39 1gqg s LEU 98 Ca 0.10 1.03 0.01 0.00 0.02 0.00 0.00 54.13 55.29 1gqg s LEU 98 Cb -0.17 -2.88 0.01 0.00 0.02 0.00 0.00 46.19 43.16 1gqg s LEU 98 CO 0.11 -0.01 0.06 -1.54 0.02 0.00 0.00 176.35 175.00 1gqg n SER 99 N 3.47 2.39 -4.68 2.29 3.41 -1.26 -1.49 113.62 117.75 1gqg n SER 99 Ca -0.05 -2.01 -0.54 0.00 -0.26 0.00 0.00 58.87 56.01 1gqg n SER 99 Cb 0.51 0.11 -0.06 0.00 -0.26 0.00 0.00 64.21 64.51 1gqg n SER 99 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1gqg n SER 100 N -1.41 2.48 0.00 4.04 7.64 -1.23 -0.90 113.62 124.24 1gqg n SER 100 Ca -0.07 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.87 1gqg n SER 100 Cb 0.30 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 1gqg n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gqg n GLY 101 N 3.81 1.15 3.84 0.23 0.00 0.78 -4.75 105.19 110.24 1gqg n GLY 101 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.95 6.28 0.00 1.61 1.01 -0.08 -3.85 116.67 118.69 1gqg s ASP 102 Ca 0.00 1.59 0.01 0.00 0.71 0.00 0.00 52.55 54.86 1gqg s ASP 102 Cb 0.00 -2.50 -0.01 0.00 1.01 0.00 0.00 42.92 41.42 1gqg s ASP 102 CO 0.00 -0.82 -0.05 -0.47 0.21 0.00 0.00 175.17 174.04 1gqg s TYR 103 N -2.75 0.42 -0.05 4.23 5.04 -0.36 -1.55 117.35 122.33 1gqg s TYR 103 Ca 0.59 -0.15 0.01 0.00 -2.44 0.00 0.00 57.07 55.08 1gqg s TYR 103 Cb -0.12 -0.27 0.02 0.00 0.35 0.00 0.00 41.96 41.95 1gqg s TYR 103 CO 0.39 -0.02 -0.04 0.20 -1.34 0.00 0.00 175.55 174.73 1gqg s GLY 104 N -0.36 0.48 -0.22 8.97 0.00 0.21 -1.10 107.32 115.30 1gqg s GLY 104 Ca -0.01 -0.10 -0.09 0.00 0.00 0.00 0.00 44.72 44.53 1gqg s GLY 104 CO -0.00 0.50 0.11 -0.45 0.00 0.00 0.00 173.10 173.26 1gqg s SER 105 N 1.03 5.77 -0.52 1.64 0.15 0.56 -0.50 113.70 121.83 1gqg s SER 105 Ca -0.09 0.05 0.03 0.00 0.70 0.00 0.00 55.95 56.64 1gqg s SER 105 Cb -0.14 -2.02 0.15 0.00 -1.71 0.00 0.00 66.02 62.29 1gqg s SER 105 CO -0.00 0.09 0.32 -0.69 1.20 0.00 0.00 173.24 174.16 1gqg s VAL 106 N 0.89 1.83 1.19 4.45 1.01 -0.17 -2.85 120.40 126.75 1gqg s VAL 106 Ca 0.06 -3.13 -0.14 0.00 0.00 0.00 0.00 61.98 58.77 1gqg s VAL 106 Cb -0.13 -2.25 0.27 0.00 0.00 0.00 0.00 36.38 34.27 1gqg s VAL 106 CO 0.03 -0.95 0.85 -2.65 0.00 0.00 0.00 175.10 172.38 1gqg n PRO 107 N 2.98 -2.47 -1.64 2.72 -0.02 -1.26 -1.12 135.00 134.19 1gqg n PRO 107 Ca 0.14 -0.69 -0.39 0.00 -2.02 0.00 0.00 63.50 60.54 1gqg n PRO 107 Cb 0.36 -2.09 0.04 0.00 -0.02 0.00 0.00 33.50 31.80 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 -4.58 1.12 -2.09 -0.52 1.74 -1.24 -3.04 116.66 108.07 1gqg n ARG 108 Ca 0.02 0.42 -0.15 0.00 -0.77 0.00 0.00 57.85 57.37 1gqg n ARG 108 Cb 0.55 -2.22 -0.02 0.00 -1.02 0.00 0.00 32.46 29.75 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 -0.57 -4.65 -4.29 0.55 3.02 -0.14 -4.87 115.26 104.31 1gqg n ASN 109 Ca 0.12 0.08 -0.35 0.00 -0.03 0.00 0.00 54.58 54.41 1gqg n ASN 109 Cb 0.45 -3.71 -0.14 0.00 -0.61 0.00 0.00 39.78 35.77 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 -2.71 3.18 0.27 2.41 1.01 -1.17 -4.55 120.40 118.84 1gqg s VAL 110 Ca 0.00 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 1gqg s VAL 110 Cb 0.00 -2.43 -0.10 0.00 0.00 0.00 0.00 36.38 33.85 1gqg s VAL 110 CO 0.00 0.45 1.36 -0.89 0.00 0.00 0.00 175.10 176.01 1gqg s THR 111 N 1.35 2.82 0.14 3.92 2.01 0.02 -4.60 115.64 121.29 1gqg s THR 111 Ca 0.04 0.73 -0.17 0.00 0.31 0.00 0.00 61.69 62.61 1gqg s THR 111 Cb -0.14 -3.47 0.04 0.00 0.01 0.00 0.00 72.50 68.94 1gqg s THR 111 CO -0.04 0.14 0.43 -1.38 -0.69 0.00 0.00 174.62 173.08 1gqg s HIS 112 N -0.42 -0.20 0.30 4.92 -3.43 -0.65 -1.17 115.29 114.63 1gqg s HIS 112 Ca 0.55 -0.11 -0.20 0.00 -0.80 0.00 0.00 55.06 54.50 1gqg s HIS 112 Cb -0.40 0.30 0.04 0.00 -1.43 0.00 0.00 32.58 31.09 1gqg s HIS 112 CO 0.46 -0.75 0.80 -0.08 -2.00 0.00 0.00 174.74 173.17 1gqg s THR 113 N -3.81 0.00 0.20 -5.38 -1.32 -1.05 -2.29 115.64 101.98 1gqg s THR 113 Ca 0.04 -0.93 -0.09 0.00 -1.21 0.00 0.00 61.69 59.50 1gqg s THR 113 Cb 0.01 -2.37 -0.01 0.00 -1.51 0.00 0.00 72.50 68.62 1gqg s THR 113 CO -0.10 0.00 0.33 0.72 -2.21 0.00 0.00 174.62 173.36 1gqg s PHE 114 N -3.16 0.48 -0.12 9.09 -0.71 -1.26 -1.50 117.98 120.81 1gqg s PHE 114 Ca 0.13 -0.82 -0.05 0.00 -1.04 0.00 0.00 56.93 55.15 1gqg s PHE 114 Cb -0.05 -0.04 0.06 0.00 -1.21 0.00 0.00 43.02 41.78 1gqg s PHE 114 CO 0.08 -0.81 0.26 -1.14 -1.34 0.00 0.00 175.22 172.27 1gqg s GLN 115 N -4.01 0.18 -0.06 1.99 0.74 -0.24 -0.10 119.66 118.16 1gqg s GLN 115 Ca 0.22 0.64 -0.30 0.00 0.05 0.00 0.00 55.36 55.97 1gqg s GLN 115 Cb 0.02 -0.08 -0.03 0.00 1.10 0.00 0.00 33.01 34.02 1gqg s GLN 115 CO 0.05 -0.22 1.20 0.42 -0.55 0.00 0.00 175.29 176.18 1gqg s ILE 116 N 1.83 4.26 -0.26 -2.34 -1.09 -1.26 -0.50 121.20 121.83 1gqg s ILE 116 Ca -0.04 1.58 -0.15 0.00 -2.23 0.00 0.00 60.65 59.81 1gqg s ILE 116 Cb -0.11 -4.02 -0.12 0.00 -1.58 0.00 0.00 42.46 36.63 1gqg s ILE 116 CO -0.09 -0.00 -0.31 1.67 -1.23 0.00 0.00 174.94 174.98 1gqg n GLN 117 N 5.21 0.58 -3.53 2.79 7.27 0.12 -1.24 117.38 128.59 1gqg n GLN 117 Ca 0.11 0.28 -0.31 0.00 0.07 0.00 0.00 57.00 57.16 1gqg n GLN 117 Cb 0.46 -1.51 -0.05 0.00 2.41 0.00 0.00 30.24 31.56 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 -7.27 6.52 0.34 1.69 1.01 -1.02 -4.42 116.67 113.52 1gqg s ASP 118 Ca -0.37 0.71 0.04 0.00 0.71 0.00 0.00 52.55 53.64 1gqg s ASP 118 Cb 0.13 -2.14 0.66 0.00 1.01 0.00 0.00 42.92 42.58 1gqg s ASP 118 CO 0.49 -0.04 1.95 -0.65 0.21 0.00 0.00 175.17 177.13 1gqg h PRO 119 N 2.46 0.83 -2.41 8.23 0.11 -1.90 -3.10 132.00 136.22 1gqg h PRO 119 Ca -0.47 -0.05 -0.69 0.00 0.11 0.00 0.00 66.00 64.90 1gqg h PRO 119 Cb 1.17 -0.19 -0.36 0.00 0.11 0.00 0.00 31.00 31.74 1gqg h PRO 119 CO 0.70 0.55 0.06 -3.47 -0.21 0.00 0.00 178.00 175.62 1gqg n ASP 120 N -4.47 5.29 -4.84 -2.05 2.03 -1.26 -4.14 116.55 107.11 1gqg n ASP 120 Ca 0.11 -3.54 -0.37 0.00 0.52 0.00 0.00 54.79 51.51 1gqg n ASP 120 Cb 0.19 -0.89 -0.06 0.00 -0.72 0.00 0.00 41.12 39.64 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 -3.36 5.28 -0.06 5.18 2.01 -1.16 -3.15 115.64 120.37 1gqg s THR 121 Ca 0.39 0.52 -0.00 0.00 0.31 0.00 0.00 61.69 62.91 1gqg s THR 121 Cb 0.16 -3.57 0.02 0.00 0.01 0.00 0.00 72.50 69.13 1gqg s THR 121 CO -0.03 0.56 -0.03 -0.70 -0.69 0.00 0.00 174.62 173.74 1gqg s GLU 122 N -0.79 0.76 -0.23 4.92 2.12 -0.24 -2.10 118.70 123.14 1gqg s GLU 122 Ca 0.19 -0.02 -0.04 0.00 0.36 0.00 0.00 54.97 55.46 1gqg s GLU 122 Cb -0.14 -0.93 -0.01 0.00 0.26 0.00 0.00 34.13 33.31 1gqg s GLU 122 CO 0.08 -0.19 -0.03 1.41 -0.54 0.00 0.00 175.26 175.98 1gqg s MET 123 N 1.42 3.35 -0.19 4.30 -2.45 0.18 -0.93 119.30 124.98 1gqg s MET 123 Ca -0.03 -0.65 -0.14 0.00 -1.25 0.00 0.00 55.69 53.62 1gqg s MET 123 Cb -0.13 -3.04 -0.04 0.00 1.25 0.00 0.00 34.83 32.86 1gqg s MET 123 CO -0.03 -0.22 0.30 0.99 1.05 0.00 0.00 175.02 177.11 1gqg s THR 124 N 1.48 5.29 -0.15 10.11 2.01 0.95 -0.63 115.64 134.69 1gqg s THR 124 Ca 0.05 0.52 -0.01 0.00 0.31 0.00 0.00 61.69 62.56 1gqg s THR 124 Cb -0.15 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 1gqg s THR 124 CO -0.03 0.34 -0.11 -0.83 -0.69 0.00 0.00 174.62 173.30 1gqg s GLY 125 N 0.77 1.55 -0.20 4.40 0.00 0.72 -1.00 107.32 113.56 1gqg s GLY 125 Ca 0.15 -0.96 -0.02 0.00 0.00 0.00 0.00 44.72 43.90 1gqg s GLY 125 CO 0.05 -0.03 -0.11 0.14 0.00 0.00 0.00 173.10 173.15 1gqg s VAL 126 N 0.63 2.89 -0.03 1.40 1.01 -0.66 -0.52 120.40 125.12 1gqg s VAL 126 Ca -0.06 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.31 1gqg s VAL 126 Cb -0.15 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 1gqg s VAL 126 CO 0.03 0.47 -0.21 -0.63 0.00 0.00 0.00 175.10 174.76 1gqg s ILE 127 N 1.28 1.71 -0.04 2.22 1.09 -0.06 -0.82 121.20 126.58 1gqg s ILE 127 Ca 0.03 -0.91 0.02 0.00 -1.10 0.00 0.00 60.65 58.70 1gqg s ILE 127 Cb -0.14 -1.43 0.01 0.00 -1.06 0.00 0.00 42.46 39.84 1gqg s ILE 127 CO -0.05 0.48 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.49 1gqg s VAL 128 N -0.34 0.87 1.06 2.92 1.01 -0.47 -0.74 120.40 124.71 1gqg s VAL 128 Ca 0.04 -0.36 -0.18 0.00 0.00 0.00 0.00 61.98 61.48 1gqg s VAL 128 Cb -0.10 -0.81 0.24 0.00 0.00 0.00 0.00 36.38 35.72 1gqg s VAL 128 CO 0.00 0.29 1.29 -2.16 0.00 0.00 0.00 175.10 174.52 1gqg s PRO 129 N 0.53 -0.11 0.71 2.72 0.04 -1.26 -0.94 135.00 136.69 1gqg s PRO 129 Ca -0.09 -0.42 -0.11 0.00 0.04 0.00 0.00 61.00 60.41 1gqg s PRO 129 Cb -0.13 -1.76 0.02 0.00 0.04 0.00 0.00 34.50 32.67 1gqg s PRO 129 CO 0.02 -2.91 1.08 0.20 0.04 0.00 0.00 177.00 175.42 1gqg s GLY 130 N -4.70 1.64 0.00 0.56 0.00 -0.36 -4.31 107.32 100.15 1gqg s GLY 130 Ca 0.75 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 45.26 1gqg s GLY 130 CO 0.54 0.15 0.00 0.61 0.00 0.00 0.00 173.10 174.40 1gqg n GLY 131 N -2.61 0.58 0.28 0.20 0.00 -1.26 -4.72 105.19 97.66 1gqg n GLY 131 Ca 0.07 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.83 116.94 117.35 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 0.07 0.04 1.05 -2.23 0.00 0.00 178.31 177.24 1gqg h GLU 133 N 0.00 0.00 -0.69 1.11 9.09 -1.94 -2.27 114.58 119.88 1gqg h GLU 133 Ca -0.00 0.00 0.11 0.00 0.05 0.00 0.00 59.36 59.52 1gqg h GLU 133 Cb 0.29 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.34 1gqg h GLU 133 CO 0.01 0.00 0.46 -0.44 0.05 0.00 0.00 179.01 179.09 1gqg h ASP 134 N 0.00 0.46 -0.85 3.06 5.19 -1.93 0.12 116.42 122.47 1gqg h ASP 134 Ca 0.00 0.01 0.02 0.00 -0.62 0.00 0.00 57.03 56.44 1gqg h ASP 134 Cb 0.08 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 39.46 1gqg h ASP 134 CO 0.00 0.27 0.56 0.25 -3.12 0.00 0.00 179.24 177.20 1gqg h LEU 135 N 0.50 0.96 -0.22 1.55 5.85 -1.68 0.22 115.31 122.48 1gqg h LEU 135 Ca 0.32 -0.02 -0.21 0.00 0.84 0.00 0.00 57.88 58.81 1gqg h LEU 135 Cb 0.58 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1gqg h LEU 135 CO -0.10 0.68 -0.92 -0.26 -0.34 0.00 0.00 178.44 177.50 1gqg h PHE 136 N 1.13 0.39 -0.30 1.25 0.04 -1.20 -1.08 116.94 117.17 1gqg h PHE 136 Ca 0.32 -0.22 0.01 0.00 2.80 0.00 0.00 57.97 60.88 1gqg h PHE 136 Cb -0.09 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.00 1gqg h PHE 136 CO -0.02 1.05 0.18 1.88 -0.60 0.00 0.00 178.31 180.80 1gqg h TYR 137 N 0.14 0.34 0.53 -0.55 0.05 -0.96 1.00 116.97 117.52 1gqg h TYR 137 Ca -0.06 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 1gqg h TYR 137 Cb 1.56 -0.11 -0.00 0.00 1.01 0.00 0.00 36.73 39.19 1gqg h TYR 137 CO 0.04 0.20 -0.29 -0.92 -1.05 0.00 0.00 178.16 176.14 1gqg h TYR 138 N 0.37 -0.77 0.00 4.88 3.20 -0.81 -3.04 116.97 120.80 1gqg h TYR 138 Ca 0.12 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1gqg h TYR 138 Cb -0.01 0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1gqg h TYR 138 CO -0.07 -0.46 0.00 -0.07 -1.64 0.00 0.00 178.16 175.92 1gqg h LEU 139 N -0.77 0.00-10.48 2.82 3.38 -1.25 -3.46 115.31 105.55 1gqg h LEU 139 Ca -0.07 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.42 1gqg h LEU 139 Cb 0.61 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.43 1gqg h LEU 139 CO 0.09 0.00 0.31 -0.83 0.09 0.00 0.00 178.44 178.10 1gqg s GLY 140 N -3.99 1.62 -0.15 0.83 0.00 0.34 -4.87 107.32 101.11 1gqg s GLY 140 Ca 0.08 -0.55 -0.01 0.00 0.00 0.00 0.00 44.72 44.24 1gqg s GLY 140 CO 0.63 -0.20 -0.12 -1.59 0.00 0.00 0.00 173.10 171.82 1gqg s THR 141 N -3.22 3.02 0.34 0.90 2.01 -0.32 -4.89 115.64 113.47 1gqg s THR 141 Ca 0.57 -0.66 -0.26 0.00 0.31 0.00 0.00 61.69 61.65 1gqg s THR 141 Cb -0.11 -2.29 -0.13 0.00 0.01 0.00 0.00 72.50 69.98 1gqg s THR 141 CO 0.48 0.51 0.90 -0.46 -0.69 0.00 0.00 174.62 175.36 1gqg n ASN 142 N 3.79 0.76 -3.96 3.53 6.94 -1.26 -0.83 115.26 124.23 1gqg n ASN 142 Ca -0.18 1.10 -0.26 0.00 -0.02 0.00 0.00 54.58 55.21 1gqg n ASN 142 Cb 0.52 -1.25 -0.17 0.00 -2.36 0.00 0.00 39.78 36.52 1gqg n ASN 142 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1gqg s ALA 143 N -1.18 1.35 0.05 -2.53 0.00 -0.58 -4.74 121.76 114.13 1gqg s ALA 143 Ca 0.61 -0.53 -0.16 0.00 0.00 0.00 0.00 51.96 51.88 1gqg s ALA 143 Cb -0.67 -0.79 -0.21 0.00 0.00 0.00 0.00 23.12 21.46 1gqg s ALA 143 CO 0.59 -0.21 1.19 1.15 0.00 0.00 0.00 175.76 178.48 1gqg h THR 144 N 6.08 1.34 -6.85 0.00 2.02 -1.94 -3.40 112.91 110.16 1gqg h THR 144 Ca -0.31 -2.06 -0.54 0.00 0.77 0.00 0.00 66.41 64.27 1gqg h THR 144 Cb 1.15 2.33 -0.01 0.00 -1.74 0.00 0.00 68.15 69.89 1gqg h THR 144 CO 0.44 0.63 -1.07 -0.67 0.37 0.00 0.00 175.52 175.23 1gqg n ASP 145 N -4.05 -4.51 -0.30 4.18 -0.08 -1.26 -4.85 116.55 105.67 1gqg n ASP 145 Ca -0.10 -1.13 0.06 0.00 -1.51 0.00 0.00 54.79 52.11 1gqg n ASP 145 Cb 0.74 -1.64 0.20 0.00 2.34 0.00 0.00 41.12 42.76 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 -1.36 0.82 -0.01 5.18 2.02 -1.99 -1.13 112.91 116.44 1gqg h THR 146 Ca -0.68 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.26 1gqg h THR 146 Cb 1.41 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1gqg h THR 146 CO 0.44 0.13 -0.03 0.35 0.37 0.00 0.00 175.52 176.77 1gqg n THR 147 N -4.80 0.00 -2.60 3.16 -2.24 -1.26 -4.92 114.28 101.63 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 0.37 -0.01 0.01 0.00 -2.10 0.00 0.00 70.33 68.59 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 -0.56 -1.25 -2.15 4.78 8.25 -0.43 -4.96 115.22 118.90 1gqg n HIS 148 Ca 0.19 0.19 -0.40 0.00 -0.26 0.00 0.00 57.72 57.44 1gqg n HIS 148 Cb 0.25 -3.89 -0.02 0.00 1.12 0.00 0.00 29.99 27.45 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 -3.01 2.81 0.22 1.59 -1.32 -1.26 -4.92 115.64 109.75 1gqg s THR 149 Ca 0.11 0.80 -0.08 0.00 -1.21 0.00 0.00 61.69 61.31 1gqg s THR 149 Cb -0.05 -3.50 0.18 0.00 -1.51 0.00 0.00 72.50 67.63 1gqg s THR 149 CO 0.14 0.18 1.72 -0.65 -2.21 0.00 0.00 174.62 173.79 1gqg h PRO 150 N 3.30 0.34 -3.94 7.08 0.11 -1.95 -3.43 132.00 133.51 1gqg h PRO 150 Ca -0.49 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.49 1gqg h PRO 150 Cb 1.23 -0.08 -0.13 0.00 0.11 0.00 0.00 31.00 32.13 1gqg h PRO 150 CO 0.65 0.22 -0.37 1.52 -0.21 0.00 0.00 178.00 179.81 1gqg s TYR 151 N -6.07 0.42 -0.10 0.65 -0.85 -1.26 -4.65 117.35 105.49 1gqg s TYR 151 Ca -0.13 -0.79 -0.30 0.00 -0.52 0.00 0.00 57.07 55.33 1gqg s TYR 151 Cb 0.19 -0.11 -0.02 0.00 0.38 0.00 0.00 41.96 42.39 1gqg s TYR 151 CO 0.75 -0.66 1.20 0.42 -1.52 0.00 0.00 175.55 175.73 1gqg s ILE 152 N -3.96 4.31 0.39 -3.49 -1.09 -1.26 -4.99 121.20 111.12 1gqg s ILE 152 Ca 0.16 1.62 -0.27 0.00 -2.23 0.00 0.00 60.65 59.93 1gqg s ILE 152 Cb 0.04 -4.04 -0.10 0.00 -1.58 0.00 0.00 42.46 36.78 1gqg s ILE 152 CO -0.02 -0.05 1.44 -2.84 -1.23 0.00 0.00 174.94 172.25 1gqg s PRO 153 N 2.61 4.01 0.00 2.79 0.02 -1.26 -5.02 135.00 138.14 1gqg s PRO 153 Ca 0.54 2.48 0.00 0.00 0.02 0.00 0.00 61.00 64.04 1gqg s PRO 153 Cb -0.23 -2.88 0.00 0.00 0.02 0.00 0.00 34.50 31.41 1gqg s PRO 153 CO 0.19 -0.58 0.00 0.45 -0.33 0.00 0.00 177.00 176.73 1gqg n SER 154 N 0.29 0.00 -3.54 2.53 2.88 -1.26 -5.21 113.62 109.30 1gqg n SER 154 Ca 0.02 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.49 1gqg n SER 154 Cb 0.40 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.84 1gqg n SER 154 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1gqg s SER 170 N -4.00 -0.28 -0.00 -3.46 0.15 -1.26 -5.11 113.70 99.74 1gqg s SER 170 Ca 0.00 0.02 0.20 0.00 0.70 0.00 0.00 55.95 56.87 1gqg s SER 170 Cb 0.00 0.29 0.34 0.00 -1.71 0.00 0.00 66.02 64.94 1gqg s SER 170 CO 0.00 -0.46 1.14 0.35 1.20 0.00 0.00 173.24 175.47 1gqg n THR 171 N -0.14 0.03 -1.12 6.45 -2.24 -1.26 -4.85 114.28 111.15 1gqg n THR 171 Ca -0.05 -0.82 -0.05 0.00 -2.27 0.00 0.00 64.05 60.85 1gqg n THR 171 Cb 0.60 0.88 0.27 0.00 -2.10 0.00 0.00 70.33 69.98 1gqg n THR 171 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1gqg n LEU 172 N 0.37 5.58 -0.13 3.22 4.77 -1.26 -4.63 117.00 124.91 1gqg n LEU 172 Ca 0.05 -3.31 0.14 0.00 -0.03 0.00 0.00 56.01 52.85 1gqg n LEU 172 Cb 1.05 -0.71 0.50 0.00 -2.33 0.00 0.00 43.42 41.93 1gqg n LEU 172 CO -0.03 0.88 1.20 1.56 -1.33 0.00 0.00 177.39 179.67 1gqg h GLN 173 N 2.15 0.41 0.00 3.23 7.50 -1.86 -0.14 115.11 126.39 1gqg h GLN 173 Ca 0.26 -0.02 -0.00 0.00 0.50 0.00 0.00 58.65 59.38 1gqg h GLN 173 Cb 2.17 -0.09 -0.00 0.00 0.05 0.00 0.00 27.48 29.61 1gqg h GLN 173 CO 0.66 0.27 -0.01 1.03 -1.50 0.00 0.00 178.83 179.27 1gqg h SER 174 N 0.42 0.00 -0.52 1.46 0.87 -1.87 0.99 113.55 114.90 1gqg h SER 174 Ca 0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1gqg h SER 174 Cb 0.71 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1gqg h SER 174 CO -0.10 0.01 0.00 0.49 -0.53 0.00 0.00 176.83 176.70 1gqg n PHE 175 N -4.24 0.99 -3.30 2.24 3.72 -0.09 -4.92 117.46 111.86 1gqg n PHE 175 Ca -0.03 -0.42 -0.17 0.00 -0.05 0.00 0.00 57.45 56.77 1gqg n PHE 175 Cb 0.10 -0.13 0.06 0.00 -0.94 0.00 0.00 39.48 38.57 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 0.93 -4.84 -4.11 4.37 2.03 0.34 -4.89 116.55 110.37 1gqg n ASP 176 Ca 0.19 -0.42 -0.30 0.00 0.52 0.00 0.00 54.79 54.78 1gqg n ASP 176 Cb 0.62 -3.97 -0.17 0.00 -0.72 0.00 0.00 41.12 36.88 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 1.77 -0.11 5.18 1.01 -1.03 -4.18 120.40 119.79 1gqg s VAL 177 Ca 0.38 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1gqg s VAL 177 Cb -0.17 -1.59 0.02 0.00 0.00 0.00 0.00 36.38 34.64 1gqg s VAL 177 CO 0.56 0.49 -0.15 -0.31 0.00 0.00 0.00 175.10 175.69 1gqg s TYR 178 N 0.89 1.98 0.45 5.22 1.51 -0.31 -2.90 117.35 124.20 1gqg s TYR 178 Ca -0.07 -0.95 -0.24 0.00 -1.01 0.00 0.00 57.07 54.80 1gqg s TYR 178 Cb -0.15 -1.44 -0.07 0.00 -0.11 0.00 0.00 41.96 40.19 1gqg s TYR 178 CO -0.02 -0.49 1.22 0.00 -1.11 0.00 0.00 175.55 175.15 1gqg s ALA 179 N 1.04 3.04 -0.52 3.71 0.00 -1.26 -0.81 121.76 126.96 1gqg s ALA 179 Ca -0.05 1.05 0.07 0.00 0.00 0.00 0.00 51.96 53.03 1gqg s ALA 179 Cb -0.15 -3.43 0.26 0.00 0.00 0.00 0.00 23.12 19.80 1gqg s ALA 179 CO -0.02 -0.77 0.66 0.39 0.00 0.00 0.00 175.76 176.02 1gqg n GLU 180 N -0.34 1.73 0.17 0.00 -0.58 -0.77 -4.82 120.64 116.03 1gqg n GLU 180 Ca 0.06 -4.02 0.13 0.00 -0.42 0.00 0.00 57.16 52.91 1gqg n GLU 180 Cb 0.46 -1.79 0.59 0.00 -0.57 0.00 0.00 31.44 30.14 1gqg n GLU 180 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1gqg h LEU 181 N 4.03 0.00 -0.13 -4.62 3.38 -1.94 -1.97 115.31 114.07 1gqg h LEU 181 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1gqg h LEU 181 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1gqg h LEU 181 CO 0.67 0.00 -0.15 -1.54 0.09 0.00 0.00 178.44 177.51 1gqg n SER 182 N -2.40 0.35 -4.70 -0.43 3.41 -1.26 -4.85 113.62 103.74 1gqg n SER 182 Ca 0.00 -0.24 -0.42 0.00 -0.26 0.00 0.00 58.87 57.95 1gqg n SER 182 Cb 0.17 -0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 63.96 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 -2.70 3.60 -0.31 7.33 5.36 -0.74 -5.02 117.98 125.50 1gqg s PHE 183 Ca 0.22 1.64 -0.01 0.00 -0.96 0.00 0.00 56.93 57.82 1gqg s PHE 183 Cb 0.19 -3.13 0.06 0.00 -0.34 0.00 0.00 43.02 39.80 1gqg s PHE 183 CO 0.53 -0.09 0.02 0.99 -1.46 0.00 0.00 175.22 175.21 1gqg s THR 184 N 1.38 2.90 0.13 0.12 2.01 -1.26 -4.93 115.64 115.99 1gqg s THR 184 Ca 0.50 -1.55 -0.34 0.00 0.31 0.00 0.00 61.69 60.61 1gqg s THR 184 Cb -0.20 -2.74 -0.14 0.00 0.01 0.00 0.00 72.50 69.44 1gqg s THR 184 CO 0.24 -0.20 1.60 -2.65 -0.69 0.00 0.00 174.62 172.92 1gqg n PRO 185 N 4.58 2.10 -1.88 4.92 -0.02 -1.26 -4.91 135.00 138.53 1gqg n PRO 185 Ca -0.11 0.76 -0.34 0.00 -2.02 0.00 0.00 63.50 61.79 1gqg n PRO 185 Cb 0.43 -2.53 0.04 0.00 -0.02 0.00 0.00 33.50 31.42 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 1.25 2.91 -0.13 -0.52 1.70 -1.26 -4.96 118.95 117.93 1gqg s ARG 186 Ca 0.81 1.48 0.16 0.00 -0.47 0.00 0.00 55.73 57.71 1gqg s ARG 186 Cb -0.70 -1.96 0.42 0.00 -0.57 0.00 0.00 34.95 32.15 1gqg s ARG 186 CO 0.40 -1.18 1.20 0.25 -1.08 0.00 0.00 175.30 174.89 1gqg n THR 187 N -2.12 1.41 -1.60 4.99 -2.24 -1.26 -4.73 114.28 108.73 1gqg n THR 187 Ca 0.11 -2.43 -0.13 0.00 -2.27 0.00 0.00 64.05 59.34 1gqg n THR 187 Cb 0.52 0.21 0.14 0.00 -2.10 0.00 0.00 70.33 69.09 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 -0.54 3.67 -4.74 3.42 5.75 -1.26 -5.02 116.55 117.84 1gqg n ASP 188 Ca 0.14 -3.79 -0.42 0.00 -0.01 0.00 0.00 54.79 50.71 1gqg n ASP 188 Cb 0.85 -0.60 -0.02 0.00 -1.03 0.00 0.00 41.12 40.32 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 -3.79 2.20 -0.03 2.12 2.01 -1.26 -4.72 115.64 112.17 1gqg s THR 189 Ca 0.48 0.16 -0.01 0.00 0.31 0.00 0.00 61.69 62.63 1gqg s THR 189 Cb 0.42 -3.10 0.02 0.00 0.01 0.00 0.00 72.50 69.85 1gqg s THR 189 CO 0.00 0.02 0.06 -0.69 -0.69 0.00 0.00 174.62 173.32 1gqg s VAL 190 N 0.51 -0.04 -1.45 3.82 1.01 -0.75 -4.85 120.40 118.66 1gqg s VAL 190 Ca 0.67 0.13 -0.13 0.00 0.00 0.00 0.00 61.98 62.65 1gqg s VAL 190 Cb -0.47 -0.11 0.10 0.00 0.00 0.00 0.00 36.38 35.90 1gqg s VAL 190 CO 0.40 0.05 0.67 0.59 0.00 0.00 0.00 175.10 176.81 1gqg n ASN 191 N 3.77 -3.83 -0.08 3.32 3.02 -1.26 -1.87 115.26 118.32 1gqg n ASN 191 Ca -0.22 -0.63 -0.01 0.00 -0.03 0.00 0.00 54.58 53.69 1gqg n ASN 191 Cb 0.54 -3.14 -0.00 0.00 -0.61 0.00 0.00 39.78 36.57 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 -1.33 0.50 3.32 7.41 0.00 -1.26 -4.97 105.19 108.86 1gqg n GLY 192 Ca 0.02 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 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 0.06 -0.08 2.61 -1.32 -0.78 -0.68 115.64 113.44 1gqg s THR 193 Ca 0.00 -0.46 -0.23 0.00 -1.21 0.00 0.00 61.69 59.79 1gqg s THR 193 Cb 0.00 -0.96 0.05 0.00 -1.51 0.00 0.00 72.50 70.08 1gqg s THR 193 CO 0.00 -0.25 0.54 0.00 -2.21 0.00 0.00 174.62 172.70 1gqg s ALA 194 N -2.54 -1.38 1.09 11.08 0.00 -0.83 -1.80 121.76 127.38 1gqg s ALA 194 Ca -0.05 1.09 -0.18 0.00 0.00 0.00 0.00 51.96 52.82 1gqg s ALA 194 Cb -0.01 -0.21 0.25 0.00 0.00 0.00 0.00 23.12 23.16 1gqg s ALA 194 CO -0.03 -0.31 1.23 -1.25 0.00 0.00 0.00 175.76 175.41 1gqg s PRO 195 N -0.86 -0.37 0.42 0.00 0.04 -1.26 -1.44 135.00 131.52 1gqg s PRO 195 Ca -0.09 -0.31 0.09 0.00 0.04 0.00 0.00 61.00 60.73 1gqg s PRO 195 Cb -0.03 -1.72 0.89 0.00 0.04 0.00 0.00 34.50 33.69 1gqg s PRO 195 CO 0.06 -3.10 2.02 0.00 0.04 0.00 0.00 177.00 176.02 1gqg h ALA 196 N -2.14 1.68 -0.02 8.56 0.00 -1.89 -3.18 119.26 122.26 1gqg h ALA 196 Ca -0.44 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.22 1gqg h ALA 196 Cb 1.25 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 1gqg h ALA 196 CO 0.33 0.26 -0.28 0.27 0.00 0.00 0.00 179.25 179.83 1gqg n ASN 197 N -4.42 5.31 -4.37 0.00 6.94 -1.26 -4.85 115.26 112.62 1gqg n ASN 197 Ca 0.01 -2.49 -0.19 0.00 -0.02 0.00 0.00 54.58 51.89 1gqg n ASN 197 Cb 0.13 -1.35 -0.10 0.00 -2.36 0.00 0.00 39.78 36.10 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 0.67 1.34 -0.25 5.53 -4.23 -1.20 -5.13 115.64 112.36 1gqg s THR 198 Ca 0.53 -2.08 -0.03 0.00 -1.18 0.00 0.00 61.69 58.93 1gqg s THR 198 Cb 0.26 -2.36 0.02 0.00 1.34 0.00 0.00 72.50 71.76 1gqg s THR 198 CO -0.01 -0.34 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.00 1gqg s VAL 199 N -3.21 3.10 -0.24 2.29 1.01 -1.26 -5.06 120.40 117.02 1gqg s VAL 199 Ca 0.28 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 1gqg s VAL 199 Cb 0.04 -2.55 0.11 0.00 0.00 0.00 0.00 36.38 33.99 1gqg s VAL 199 CO 0.10 0.22 0.23 0.86 0.00 0.00 0.00 175.10 176.51 1gqg s TRP 200 N 1.37 -0.24 -0.66 5.22 -0.00 -1.26 -4.84 118.94 118.54 1gqg s TRP 200 Ca 0.02 -0.07 0.00 0.00 -0.00 0.00 0.00 56.10 56.04 1gqg s TRP 200 Cb -0.16 -0.48 0.00 0.00 -0.00 0.00 0.00 33.47 32.83 1gqg s TRP 200 CO -0.03 -0.73 0.00 0.72 -0.00 0.00 0.00 176.95 176.90 1gqg n HIS 201 N 5.31 0.00 -0.27 5.86 8.25 -1.26 -4.81 115.22 128.30 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 -1.79 0.00 0.00 1.12 0.00 0.00 29.99 29.79 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 -2.48 0.48 0.00 1.59 -2.24 -1.26 -5.10 114.28 105.27 1gqg n THR 202 Ca -0.06 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 1gqg n THR 202 Cb 0.37 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 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 -0.24 -0.43 3.77 3.38 0.00 -1.26 -5.11 105.19 105.30 1gqg n GLY 203 Ca 0.00 -1.08 -0.39 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 3.16 -0.10 4.61 0.00 -1.26 -4.78 121.76 121.40 1gqg s ALA 204 Ca 0.00 1.24 0.02 0.00 0.00 0.00 0.00 51.96 53.22 1gqg s ALA 204 Cb 0.00 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 1gqg s ALA 204 CO 0.00 -0.93 -0.14 -0.80 0.00 0.00 0.00 175.76 173.89 1gqg s ASN 205 N -0.81 3.96 0.11 0.00 0.02 0.10 -4.97 114.94 113.35 1gqg s ASN 205 Ca 0.60 -0.29 0.02 0.00 -1.02 0.00 0.00 52.86 52.17 1gqg s ASN 205 Cb -0.38 -1.29 -0.04 0.00 0.02 0.00 0.00 41.25 39.56 1gqg s ASN 205 CO 0.48 0.24 0.23 0.00 0.02 0.00 0.00 177.10 178.07 1gqg s ALA 206 N -0.08 3.93 0.72 0.60 0.00 -1.26 -4.01 121.76 121.66 1gqg s ALA 206 Ca -0.03 -0.97 -0.12 0.00 0.00 0.00 0.00 51.96 50.84 1gqg s ALA 206 Cb -0.14 -1.75 0.03 0.00 0.00 0.00 0.00 23.12 21.26 1gqg s ALA 206 CO 0.04 0.66 1.09 -0.51 0.00 0.00 0.00 175.76 177.04 1gqg s LEU 207 N -2.88 3.18 0.57 0.00 1.02 -1.26 -4.77 118.68 114.53 1gqg s LEU 207 Ca 0.34 1.85 -0.21 0.00 0.02 0.00 0.00 54.13 56.14 1gqg s LEU 207 Cb -0.12 -4.53 -0.04 0.00 0.02 0.00 0.00 46.19 41.52 1gqg s LEU 207 CO 0.27 -1.80 1.29 0.00 0.02 0.00 0.00 176.35 176.14 1gqg n ALA 208 N -3.07 1.28 0.30 4.21 0.00 -1.26 -4.88 120.51 117.09 1gqg n ALA 208 Ca 0.09 0.09 0.17 0.00 0.00 0.00 0.00 53.44 53.79 1gqg n ALA 208 Cb 0.53 -2.31 0.67 0.00 0.00 0.00 0.00 19.45 18.34 1gqg n ALA 208 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1gqg h SER 209 N 1.11 0.00 -5.14 0.00 0.02 -1.95 -3.46 113.55 104.13 1gqg h SER 209 Ca -0.50 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.43 1gqg h SER 209 Cb 1.32 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.77 1gqg h SER 209 CO 0.55 0.00 -0.00 0.28 -1.14 0.00 0.00 176.83 176.52 1gqg s THR 210 N -3.63 0.01 0.52 -2.27 -1.32 -1.26 -5.00 115.64 102.69 1gqg s THR 210 Ca 0.01 -1.13 -0.21 0.00 -1.21 0.00 0.00 61.69 59.16 1gqg s THR 210 Cb 0.09 -1.96 -0.06 0.00 -1.51 0.00 0.00 72.50 69.06 1gqg s THR 210 CO 0.52 -0.05 1.16 0.00 -2.21 0.00 0.00 174.62 174.04 1gqg s ALA 211 N -3.95 2.77 0.00 11.08 0.00 -1.21 -3.99 121.76 126.46 1gqg s ALA 211 Ca 0.16 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.02 1gqg s ALA 211 Cb -0.02 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1gqg s ALA 211 CO 0.05 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.42 1gqg n GLY 212 N 0.31 2.92 3.79 0.00 0.00 -1.26 -5.07 105.19 105.88 1gqg n GLY 212 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.10 6.30 0.74 1.61 1.01 -1.26 -4.77 116.67 119.20 1gqg s ASP 213 Ca 0.00 0.35 -0.11 0.00 0.71 0.00 0.00 52.55 53.50 1gqg s ASP 213 Cb 0.00 -2.09 0.04 0.00 1.01 0.00 0.00 42.92 41.88 1gqg s ASP 213 CO 0.00 0.27 1.09 -2.16 0.21 0.00 0.00 175.17 174.58 1gqg s PRO 214 N -0.23 2.43 0.18 8.23 0.04 -1.26 -4.72 135.00 139.68 1gqg s PRO 214 Ca 0.11 1.18 -0.23 0.00 0.04 0.00 0.00 61.00 62.11 1gqg s PRO 214 Cb -0.12 -1.92 0.06 0.00 0.04 0.00 0.00 34.50 32.56 1gqg s PRO 214 CO 0.01 -1.51 0.68 1.52 0.04 0.00 0.00 177.00 177.74 1gqg s TYR 215 N -2.82 -0.39 0.02 0.56 1.13 -1.13 -4.88 117.35 109.83 1gqg s TYR 215 Ca 0.62 0.11 0.01 0.00 -1.41 0.00 0.00 57.07 56.40 1gqg s TYR 215 Cb -0.17 0.61 -0.01 0.00 -1.10 0.00 0.00 41.96 41.28 1gqg s TYR 215 CO 0.53 -0.94 -0.05 -0.06 -2.51 0.00 0.00 175.55 172.52 1gqg s PHE 216 N -3.72 0.46 -0.13 -3.49 0.40 -1.26 -0.32 117.98 109.90 1gqg s PHE 216 Ca 0.05 -0.27 -0.01 0.00 -0.60 0.00 0.00 56.93 56.10 1gqg s PHE 216 Cb -0.03 -0.29 0.03 0.00 0.51 0.00 0.00 43.02 43.25 1gqg s PHE 216 CO -0.06 -0.05 -0.04 0.42 0.70 0.00 0.00 175.22 176.19 1gqg s ILE 217 N -0.70 0.91 0.42 0.64 1.01 -0.25 -4.76 121.20 118.46 1gqg s ILE 217 Ca -0.04 -0.37 -0.22 0.00 0.00 0.00 0.00 60.65 60.01 1gqg s ILE 217 Cb -0.05 -1.05 -0.11 0.00 0.01 0.00 0.00 42.46 41.26 1gqg s ILE 217 CO -0.00 0.21 0.96 0.00 0.00 0.00 0.00 174.94 176.11 1gqg s ALA 218 N 1.74 3.06 -0.32 9.38 0.00 -1.26 -1.23 121.76 133.12 1gqg s ALA 218 Ca 0.03 0.45 -0.36 0.00 0.00 0.00 0.00 51.96 52.07 1gqg s ALA 218 Cb -0.14 -3.17 -0.12 0.00 0.00 0.00 0.00 23.12 19.69 1gqg s ALA 218 CO -0.07 0.09 2.09 -1.71 0.00 0.00 0.00 175.76 176.15 1gqg n ASN 219 N -0.45 2.20 0.00 0.00 5.15 -1.25 -1.04 115.26 119.88 1gqg n ASN 219 Ca 0.06 0.58 0.00 0.00 -0.60 0.00 0.00 54.58 54.62 1gqg n ASN 219 Cb 0.53 -1.23 0.00 0.00 -0.53 0.00 0.00 39.78 38.55 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 6.05 0.77 0.37 8.20 0.00 -1.26 -4.92 105.19 114.40 1gqg n GLY 220 Ca 0.38 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.48 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 -2.21 0.00 -2.40 1.61 7.02 -0.20 -4.87 117.44 116.39 1gqg n TRP 221 Ca 0.00 0.00 -0.25 0.00 -1.02 0.00 0.00 57.50 56.23 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 -1.93 1.76 0.52 6.99 0.00 -1.26 -0.72 107.32 112.69 1gqg s GLY 222 Ca 0.13 -1.53 -0.21 0.00 0.00 0.00 0.00 44.72 43.11 1gqg s GLY 222 CO 0.41 -0.94 1.20 2.56 0.00 0.00 0.00 173.10 176.33 1gqg s PRO 223 N -5.32 3.40 0.09 2.90 0.04 -1.26 -4.91 135.00 129.95 1gqg s PRO 223 Ca 0.67 1.82 0.03 0.00 0.04 0.00 0.00 61.00 63.56 1gqg s PRO 223 Cb -0.05 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 1gqg s PRO 223 CO 0.46 -0.86 -0.09 0.15 0.04 0.00 0.00 177.00 176.70 1gqg s LYS 224 N -3.00 0.78 -0.02 4.56 1.02 -1.25 -3.84 119.74 118.00 1gqg s LYS 224 Ca 0.70 -1.10 0.03 0.00 0.02 0.00 0.00 55.97 55.62 1gqg s LYS 224 Cb -0.30 -0.45 -0.00 0.00 -0.52 0.00 0.00 37.83 36.56 1gqg s LYS 224 CO 0.34 0.07 -0.11 0.71 -0.92 0.00 0.00 175.35 175.44 1gqg s TYR 225 N -2.37 1.05 -0.21 3.18 1.51 -0.13 -1.27 117.35 119.10 1gqg s TYR 225 Ca 0.03 -0.23 -0.08 0.00 -1.01 0.00 0.00 57.07 55.78 1gqg s TYR 225 Cb -0.03 -0.70 -0.04 0.00 -0.11 0.00 0.00 41.96 41.08 1gqg s TYR 225 CO -0.01 -0.05 0.09 -1.17 -1.11 0.00 0.00 175.55 173.30 1gqg s LEU 226 N -0.10 3.82 -0.17 -1.29 2.96 0.17 -1.17 118.68 122.90 1gqg s LEU 226 Ca 0.02 0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 53.93 1gqg s LEU 226 Cb -0.06 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 1gqg s LEU 226 CO 0.00 0.10 -0.07 0.21 -1.32 0.00 0.00 176.35 175.27 1gqg s ASN 227 N 0.79 4.36 -0.16 3.68 3.84 0.82 -1.32 114.94 126.94 1gqg s ASN 227 Ca 0.05 -0.28 0.17 0.00 0.21 0.00 0.00 52.86 53.01 1gqg s ASN 227 Cb -0.13 -1.71 0.41 0.00 -0.55 0.00 0.00 41.25 39.27 1gqg s ASN 227 CO 0.02 0.11 1.29 -1.20 -2.79 0.00 0.00 177.10 174.53 1gqg n SER 228 N 3.92 3.02 0.09 -4.21 7.64 -1.26 -1.04 113.62 121.77 1gqg n SER 228 Ca -0.18 -3.12 -0.06 0.00 1.01 0.00 0.00 58.87 56.52 1gqg n SER 228 Cb 0.52 -0.50 -0.02 0.00 -1.01 0.00 0.00 64.21 63.21 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 0.89 0.05 -1.76 1.43 4.20 -1.95 -3.38 115.11 114.60 1gqg h GLN 229 Ca 0.01 -0.07 -0.48 0.00 0.06 0.00 0.00 58.65 58.18 1gqg h GLN 229 Cb 1.23 0.02 -0.41 0.00 0.30 0.00 0.00 27.48 28.63 1gqg h GLN 229 CO 0.12 0.90 -1.06 0.66 -0.67 0.00 0.00 178.83 178.78 1gqg n TYR 230 N -3.55 1.42 -2.99 2.96 4.01 -1.26 -5.00 117.16 112.75 1gqg n TYR 230 Ca -0.01 -3.53 0.00 0.00 -0.16 0.00 0.00 57.90 54.19 1gqg n TYR 230 Cb 0.83 -0.39 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 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 0.03 -1.85 3.62 2.72 0.00 -1.26 -4.79 105.19 103.66 1gqg n GLY 231 Ca 0.23 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.36 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 3.20 -0.02 1.61 2.02 -1.26 -4.09 117.35 118.81 1gqg s TYR 232 Ca 0.00 0.03 0.01 0.00 -0.37 0.00 0.00 57.07 56.74 1gqg s TYR 232 Cb 0.00 -1.98 0.01 0.00 -0.40 0.00 0.00 41.96 39.59 1gqg s TYR 232 CO 0.00 0.20 -0.04 -0.65 -1.57 0.00 0.00 175.55 173.50 1gqg s GLN 233 N 0.03 0.46 -0.22 -0.62 -0.21 -0.21 -1.02 119.66 117.88 1gqg s GLN 233 Ca 0.04 -0.11 -0.02 0.00 0.02 0.00 0.00 55.36 55.29 1gqg s GLN 233 Cb -0.13 -0.49 0.00 0.00 1.00 0.00 0.00 33.01 33.40 1gqg s GLN 233 CO 0.01 0.02 -0.08 0.42 -2.12 0.00 0.00 175.29 173.54 1gqg s ILE 234 N 0.32 2.98 -0.16 1.08 1.01 -0.09 -0.13 121.20 126.21 1gqg s ILE 234 Ca -0.03 -0.70 -0.12 0.00 0.00 0.00 0.00 60.65 59.80 1gqg s ILE 234 Cb -0.07 -2.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 1gqg s ILE 234 CO -0.00 0.40 0.23 -0.69 0.00 0.00 0.00 174.94 174.88 1gqg s VAL 235 N 1.41 5.35 -0.47 2.92 1.01 -0.32 -0.72 120.40 129.58 1gqg s VAL 235 Ca 0.05 0.41 0.03 0.00 0.00 0.00 0.00 61.98 62.47 1gqg s VAL 235 Cb -0.14 -3.56 0.12 0.00 0.00 0.00 0.00 36.38 32.80 1gqg s VAL 235 CO -0.06 0.44 0.21 0.00 0.00 0.00 0.00 175.10 175.70 1gqg s ALA 236 N 0.16 3.20 0.35 5.51 0.00 -0.03 -0.96 121.76 130.00 1gqg s ALA 236 Ca 0.14 -3.00 -0.29 0.00 0.00 0.00 0.00 51.96 48.82 1gqg s ALA 236 Cb -0.12 -2.17 -0.11 0.00 0.00 0.00 0.00 23.12 20.72 1gqg s ALA 236 CO 0.03 -1.91 1.52 -2.14 0.00 0.00 0.00 175.76 173.25 1gqg s PRO 237 N 0.19 4.11 -0.14 0.00 0.02 -1.25 -1.73 135.00 136.20 1gqg s PRO 237 Ca 0.15 2.58 -0.02 0.00 0.02 0.00 0.00 61.00 63.72 1gqg s PRO 237 Cb -0.23 -2.98 -0.08 0.00 0.02 0.00 0.00 34.50 31.23 1gqg s PRO 237 CO -0.03 -0.57 -0.14 1.19 -0.33 0.00 0.00 177.00 177.12 1gqg n PHE 238 N 0.92 0.00 -4.46 6.54 3.72 0.50 -4.77 117.46 119.91 1gqg n PHE 238 Ca 0.03 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.20 1gqg n PHE 238 Cb 0.39 -0.51 -0.16 0.00 -0.94 0.00 0.00 39.48 38.25 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 -2.26 0.96 0.36 -4.37 1.01 -0.12 -4.95 120.40 111.02 1gqg s VAL 239 Ca -0.19 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1gqg s VAL 239 Cb 0.06 -0.90 -0.00 0.00 0.00 0.00 0.00 36.38 35.54 1gqg s VAL 239 CO 0.28 0.32 0.02 0.35 0.00 0.00 0.00 175.10 176.07 1gqg n THR 240 N 3.88 0.00 0.05 3.92 -2.24 -1.26 -2.12 114.28 116.51 1gqg n THR 240 Ca -0.24 -1.73 0.09 0.00 -2.27 0.00 0.00 64.05 59.91 1gqg n THR 240 Cb 0.51 0.39 0.54 0.00 -2.10 0.00 0.00 70.33 69.67 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 1.23 1.98 -0.40 6.98 0.00 -1.92 0.85 119.26 127.98 1gqg h ALA 241 Ca -0.29 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.64 1gqg h ALA 241 Cb 0.91 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1gqg h ALA 241 CO 0.48 -0.04 0.18 1.15 0.00 0.00 0.00 179.25 181.02 1gqg h THR 242 N 0.29 0.94 0.09 0.00 2.02 -1.96 -0.74 112.91 113.55 1gqg h THR 242 Ca 0.16 -0.12 -0.30 0.00 0.77 0.00 0.00 66.41 66.91 1gqg h THR 242 Cb 0.26 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1gqg h THR 242 CO -0.03 0.07 -1.56 1.56 0.37 0.00 0.00 175.52 175.92 1gqg h GLN 243 N 0.36 0.20 -0.10 6.66 7.50 -1.65 -3.21 115.11 124.87 1gqg h GLN 243 Ca 0.18 -0.34 -0.24 0.00 0.50 0.00 0.00 58.65 58.75 1gqg h GLN 243 Cb 0.11 0.13 0.01 0.00 0.05 0.00 0.00 27.48 27.79 1gqg h GLN 243 CO -0.15 1.03 -0.87 0.00 -1.50 0.00 0.00 178.83 177.34 1gqg h ALA 244 N 0.56 0.24 -0.31 3.87 0.00 -0.79 -3.42 119.26 119.41 1gqg h ALA 244 Ca -0.25 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1gqg h ALA 244 Cb 2.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1gqg h ALA 244 CO 0.14 0.68 0.00 1.04 0.00 0.00 0.00 179.25 181.11 1gqg n GLN 245 N -3.91 0.00 0.15 0.00 1.13 -0.29 -1.17 117.38 113.28 1gqg n GLN 245 Ca -0.09 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.09 1gqg n GLN 245 Cb 0.79 0.00 0.53 0.00 0.11 0.00 0.00 30.24 31.68 1gqg n GLN 245 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1gqg n ASP 246 N 3.12 0.65 0.28 1.08 5.75 -1.26 -1.24 116.55 124.93 1gqg n ASP 246 Ca 0.00 0.70 0.17 0.00 -0.01 0.00 0.00 54.79 55.66 1gqg n ASP 246 Cb 0.00 -0.83 0.68 0.00 -1.03 0.00 0.00 41.12 39.94 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 -5.53 2.12 1.35 -1.52 -3.47 112.91 105.86 1gqg h THR 247 Ca 0.00 -0.52 -0.20 0.00 -0.55 0.00 0.00 66.41 65.14 1gqg h THR 247 Cb 0.24 1.52 0.13 0.00 -1.73 0.00 0.00 68.15 68.31 1gqg h THR 247 CO 0.00 0.00 -0.62 -3.20 -0.25 0.00 0.00 175.52 171.45 1gqg n ASN 248 N -3.09 -6.83 -3.90 5.36 5.15 -0.37 -4.88 115.26 106.69 1gqg n ASN 248 Ca 0.01 -0.56 -0.08 0.00 -0.60 0.00 0.00 54.58 53.35 1gqg n ASN 248 Cb 0.31 -4.98 -0.04 0.00 -0.53 0.00 0.00 39.78 34.54 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 -3.27 0.06 0.15 1.20 1.13 -1.22 -0.66 117.35 114.74 1gqg s TYR 249 Ca 0.32 -0.46 0.04 0.00 -1.41 0.00 0.00 57.07 55.56 1gqg s TYR 249 Cb -0.05 0.44 -0.04 0.00 -1.10 0.00 0.00 41.96 41.20 1gqg s TYR 249 CO 0.76 -1.09 -0.10 0.95 -2.51 0.00 0.00 175.55 173.56 1gqg s THR 250 N -3.96 1.15 -0.14 -3.49 -4.23 0.03 -4.57 115.64 100.43 1gqg s THR 250 Ca 0.16 -2.06 -0.12 0.00 -1.18 0.00 0.00 61.69 58.49 1gqg s THR 250 Cb -0.03 -1.87 0.04 0.00 1.34 0.00 0.00 72.50 71.98 1gqg s THR 250 CO 0.07 -0.73 0.38 -0.22 -0.54 0.00 0.00 174.62 173.57 1gqg s LEU 251 N -3.17 0.42 0.27 4.79 2.96 -0.90 -1.62 118.68 121.42 1gqg s LEU 251 Ca 0.17 0.77 -0.20 0.00 -0.22 0.00 0.00 54.13 54.65 1gqg s LEU 251 Cb 0.03 1.27 0.06 0.00 0.50 0.00 0.00 46.19 48.05 1gqg s LEU 251 CO 0.01 -0.15 0.89 -0.94 -1.32 0.00 0.00 176.35 174.84 1gqg s SER 252 N 0.50 -0.07 0.09 3.68 1.04 -0.39 -0.37 113.70 118.18 1gqg s SER 252 Ca -0.02 -0.78 0.03 0.00 0.48 0.00 0.00 55.95 55.65 1gqg s SER 252 Cb -0.04 0.66 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 1gqg s SER 252 CO -0.03 -1.28 0.13 0.42 0.98 0.00 0.00 173.24 173.45 1gqg s THR 253 N -2.70 4.76 -0.12 2.02 -4.23 -0.71 -0.05 115.64 114.61 1gqg s THR 253 Ca 0.16 -0.71 0.01 0.00 -1.18 0.00 0.00 61.69 59.97 1gqg s THR 253 Cb -0.04 -3.33 0.02 0.00 1.34 0.00 0.00 72.50 70.49 1gqg s THR 253 CO 0.07 0.09 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.46 1gqg s ILE 254 N -1.47 1.57 -0.04 2.99 1.01 -0.31 -0.85 121.20 124.10 1gqg s ILE 254 Ca 0.31 -0.67 -0.03 0.00 0.00 0.00 0.00 60.65 60.26 1gqg s ILE 254 Cb -0.12 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 1gqg s ILE 254 CO 0.24 0.46 0.10 -0.44 0.00 0.00 0.00 174.94 175.30 1gqg s SER 255 N 1.14 5.92 -0.00 3.58 0.01 0.10 -0.81 113.70 123.64 1gqg s SER 255 Ca -0.03 0.26 0.02 0.00 1.31 0.00 0.00 55.95 57.51 1gqg s SER 255 Cb -0.14 -1.79 -0.00 0.00 0.21 0.00 0.00 66.02 64.30 1gqg s SER 255 CO -0.05 0.32 -0.05 -0.04 0.41 0.00 0.00 173.24 173.83 1gqg s MET 256 N -1.49 0.41 0.80 12.44 1.00 0.74 -0.91 119.30 132.29 1gqg s MET 256 Ca 0.21 -0.19 -0.07 0.00 0.00 0.00 0.00 55.69 55.64 1gqg s MET 256 Cb -0.12 -0.40 0.15 0.00 0.00 0.00 0.00 34.83 34.46 1gqg s MET 256 CO 0.11 0.11 1.11 -1.54 0.00 0.00 0.00 175.02 174.81 1gqg s SER 257 N -0.13 3.97 0.87 3.03 1.04 -0.19 -1.63 113.70 120.66 1gqg s SER 257 Ca 0.02 -0.07 -0.11 0.00 0.48 0.00 0.00 55.95 56.27 1gqg s SER 257 Cb -0.02 -0.23 0.11 0.00 0.10 0.00 0.00 66.02 65.99 1gqg s SER 257 CO -0.00 -2.13 1.09 0.42 0.98 0.00 0.00 173.24 173.60 1gqg s THR 258 N -3.41 2.78 -0.26 2.02 -4.23 -1.25 -4.29 115.64 107.01 1gqg s THR 258 Ca 0.68 0.25 -0.15 0.00 -1.18 0.00 0.00 61.69 61.30 1gqg s THR 258 Cb -0.05 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.99 1gqg s THR 258 CO 0.47 -0.33 0.36 -0.89 -0.54 0.00 0.00 174.62 173.69 1gqg s THR 259 N -2.95 5.19 0.52 3.99 2.01 -1.26 -4.51 115.64 118.63 1gqg s THR 259 Ca 0.63 0.56 -0.22 0.00 0.31 0.00 0.00 61.69 62.97 1gqg s THR 259 Cb -0.18 -3.69 -0.07 0.00 0.01 0.00 0.00 72.50 68.58 1gqg s THR 259 CO 0.57 0.18 1.14 -0.81 -0.69 0.00 0.00 174.62 175.00 1gqg n PRO 260 N 5.18 1.39 0.21 4.92 -0.04 -1.26 -4.87 135.00 140.53 1gqg n PRO 260 Ca -0.09 0.51 0.16 0.00 -0.04 0.00 0.00 63.50 64.05 1gqg n PRO 260 Cb 0.51 -2.29 0.81 0.00 -0.04 0.00 0.00 33.50 32.49 1gqg n PRO 260 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1gqg h SER 261 N 1.24 0.00 0.42 3.54 4.64 -2.04 -0.39 113.55 120.97 1gqg h SER 261 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1gqg h SER 261 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1gqg h SER 261 CO 0.55 0.00 -0.13 0.35 -0.87 0.00 0.00 176.83 176.73 1gqg n THR 262 N -3.93 0.00 -4.07 2.95 -2.24 -1.26 -4.80 114.28 100.92 1gqg n THR 262 Ca 0.01 -0.05 -0.35 0.00 -2.27 0.00 0.00 64.05 61.39 1gqg n THR 262 Cb 0.29 -0.09 -0.11 0.00 -2.10 0.00 0.00 70.33 68.33 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 -2.56 4.51 0.07 2.28 1.01 -0.16 -5.08 120.40 120.48 1gqg s VAL 263 Ca 0.26 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 1gqg s VAL 263 Cb 0.20 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 1gqg s VAL 263 CO 0.50 0.45 1.11 -0.89 0.00 0.00 0.00 175.10 176.27 1gqg s THR 264 N 0.53 4.23 -0.03 3.92 2.01 -1.26 -4.74 115.64 120.30 1gqg s THR 264 Ca 0.02 1.67 -0.30 0.00 0.31 0.00 0.00 61.69 63.39 1gqg s THR 264 Cb -0.13 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.26 1gqg s THR 264 CO 0.01 0.17 1.46 -0.69 -0.69 0.00 0.00 174.62 174.88 1gqg s VAL 265 N 0.72 3.72 0.52 3.82 1.01 -1.26 -4.96 120.40 123.97 1gqg s VAL 265 Ca 0.54 1.03 -0.20 0.00 0.00 0.00 0.00 61.98 63.35 1gqg s VAL 265 Cb -0.27 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.38 1gqg s VAL 265 CO 0.30 -0.04 1.10 -2.16 0.00 0.00 0.00 175.10 174.30 1gqg s PRO 266 N 3.00 3.53 -0.07 2.72 0.04 -1.26 -5.02 135.00 137.94 1gqg s PRO 266 Ca 0.65 1.52 -0.11 0.00 0.04 0.00 0.00 61.00 63.11 1gqg s PRO 266 Cb -0.31 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.14 1gqg s PRO 266 CO 0.26 -0.68 0.26 0.99 0.04 0.00 0.00 177.00 177.86 1gqg s THR 267 N -1.84 5.29 0.06 1.26 2.01 -1.26 -4.49 115.64 116.68 1gqg s THR 267 Ca 0.71 0.49 0.10 0.00 0.31 0.00 0.00 61.69 63.29 1gqg s THR 267 Cb -0.21 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 1gqg s THR 267 CO 0.24 0.58 -0.26 0.26 -0.69 0.00 0.00 174.62 174.76 1gqg s TRP 268 N -0.92 2.28 -0.19 4.92 0.52 0.74 -4.94 118.94 121.35 1gqg s TRP 268 Ca 0.19 -0.40 -0.04 0.00 0.02 0.00 0.00 56.10 55.86 1gqg s TRP 268 Cb -0.14 -1.34 0.10 0.00 -1.15 0.00 0.00 33.47 30.94 1gqg s TRP 268 CO 0.08 0.17 0.28 0.45 0.02 0.00 0.00 176.95 177.94 1gqg s SER 269 N -1.41 0.78 0.19 2.95 0.15 -1.26 -0.81 113.70 114.29 1gqg s SER 269 Ca 0.12 0.14 0.07 0.00 0.70 0.00 0.00 55.95 56.97 1gqg s SER 269 Cb -0.10 0.67 -0.04 0.00 -1.71 0.00 0.00 66.02 64.84 1gqg s SER 269 CO 0.03 -0.29 0.04 -0.36 1.20 0.00 0.00 173.24 173.86 1gqg s PHE 270 N 2.41 2.91 0.23 3.44 0.08 -1.26 -4.89 117.98 120.90 1gqg s PHE 270 Ca 0.07 -0.12 -0.08 0.00 0.12 0.00 0.00 56.93 56.92 1gqg s PHE 270 Cb -0.15 -1.39 0.24 0.00 -0.57 0.00 0.00 43.02 41.15 1gqg s PHE 270 CO -0.12 0.53 1.89 -1.35 -0.10 0.00 0.00 175.22 176.07 1gqg h PRO 271 N 2.47 1.08 -6.19 0.24 0.11 -1.92 0.28 132.00 128.07 1gqg h PRO 271 Ca -0.47 -0.06 -0.52 0.00 0.11 0.00 0.00 66.00 65.06 1gqg h PRO 271 Cb 1.21 -0.24 -0.06 0.00 0.11 0.00 0.00 31.00 32.02 1gqg h PRO 271 CO 0.59 0.71 -0.54 0.20 -0.21 0.00 0.00 178.00 178.76 1gqg s GLY 272 N -3.03 1.54 0.63 -0.55 0.00 -1.26 -4.23 107.32 100.42 1gqg s GLY 272 Ca -0.13 -1.52 -0.18 0.00 0.00 0.00 0.00 44.72 42.89 1gqg s GLY 272 CO 0.79 -1.54 1.25 0.00 0.00 0.00 0.00 173.10 173.60 1gqg s ALA 273 N -2.21 2.44 0.19 3.20 0.00 -1.26 -3.83 121.76 120.28 1gqg s ALA 273 Ca 0.34 1.09 -0.05 0.00 0.00 0.00 0.00 51.96 53.34 1gqg s ALA 273 Cb -0.07 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 1gqg s ALA 273 CO 0.24 -1.41 0.22 0.00 0.00 0.00 0.00 175.76 174.82 1gqg s ALA 275 N -4.06 -1.63 0.03 0.00 0.00 -0.25 -1.07 121.76 114.78 1gqg s ALA 275 Ca 0.27 0.79 -0.05 0.00 0.00 0.00 0.00 51.96 52.97 1gqg s ALA 275 Cb 0.05 0.53 -0.01 0.00 0.00 0.00 0.00 23.12 23.68 1gqg s ALA 275 CO 0.06 -0.60 0.09 -0.59 0.00 0.00 0.00 175.76 174.72 1gqg s PHE 276 N -2.72 0.19 -0.19 0.00 -0.12 -0.61 -1.07 117.98 113.47 1gqg s PHE 276 Ca -0.04 -0.47 0.00 0.00 -0.05 0.00 0.00 56.93 56.38 1gqg s PHE 276 Cb -0.01 -0.14 0.02 0.00 -0.63 0.00 0.00 43.02 42.26 1gqg s PHE 276 CO -0.04 -0.34 -0.17 -1.14 -0.05 0.00 0.00 175.22 173.48 1gqg s GLN 277 N -2.34 3.04 0.24 1.99 0.74 -0.22 -1.06 119.66 122.04 1gqg s GLN 277 Ca -0.07 -0.81 -0.31 0.00 0.05 0.00 0.00 55.36 54.22 1gqg s GLN 277 Cb -0.03 -2.64 -0.11 0.00 1.10 0.00 0.00 33.01 31.33 1gqg s GLN 277 CO -0.03 -0.21 1.59 0.08 -0.55 0.00 0.00 175.29 176.16 1gqg s VAL 278 N 1.32 2.26 -0.25 1.34 1.01 -0.29 -1.01 120.40 124.78 1gqg s VAL 278 Ca 0.05 0.21 -0.07 0.00 0.00 0.00 0.00 61.98 62.16 1gqg s VAL 278 Cb -0.13 -3.13 -0.13 0.00 0.00 0.00 0.00 36.38 32.99 1gqg s VAL 278 CO -0.11 0.03 -0.28 0.00 0.00 0.00 0.00 175.10 174.73 1gqg n GLN 279 N 2.90 0.56 -4.07 2.72 1.13 0.39 -0.54 117.38 120.47 1gqg n GLN 279 Ca 0.11 0.20 -0.14 0.00 -1.94 0.00 0.00 57.00 55.22 1gqg n GLN 279 Cb 0.38 -1.43 -0.14 0.00 0.11 0.00 0.00 30.24 29.16 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 -2.47 0.31 0.37 -1.09 2.12 -0.74 -4.68 118.70 112.52 1gqg s GLU 280 Ca -0.34 -0.17 0.00 0.00 0.36 0.00 0.00 54.97 54.82 1gqg s GLU 280 Cb 0.12 -0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.23 1gqg s GLU 280 CO 0.48 0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.69 1gqg n GLY 281 N 2.88 -1.71 2.68 -1.50 0.00 -1.26 -0.83 105.19 105.45 1gqg n GLY 281 Ca -0.13 -1.87 -0.22 0.00 0.00 0.00 0.00 46.02 43.80 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 0.04 -0.11 1.61 0.52 -1.26 -4.27 118.95 115.48 1gqg s ARG 282 Ca 0.00 0.19 0.02 0.00 -0.52 0.00 0.00 55.73 55.43 1gqg s ARG 282 Cb 0.00 -1.12 0.01 0.00 0.52 0.00 0.00 34.95 34.36 1gqg s ARG 282 CO 0.00 -0.51 -0.18 0.08 0.02 0.00 0.00 175.30 174.70 1gqg s VAL 283 N 2.20 1.70 -0.10 3.52 1.01 -0.65 -0.60 120.40 127.48 1gqg s VAL 283 Ca 0.04 -0.78 -0.16 0.00 0.00 0.00 0.00 61.98 61.07 1gqg s VAL 283 Cb -0.14 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 1gqg s VAL 283 CO -0.07 0.48 0.41 -0.69 0.00 0.00 0.00 175.10 175.23 1gqg s VAL 284 N 0.76 5.17 -0.04 2.92 1.01 0.46 -0.62 120.40 130.05 1gqg s VAL 284 Ca -0.11 0.82 0.05 0.00 0.00 0.00 0.00 61.98 62.75 1gqg s VAL 284 Cb -0.16 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 1gqg s VAL 284 CO 0.01 0.41 -0.21 0.54 0.00 0.00 0.00 175.10 175.85 1gqg s VAL 285 N 0.13 1.72 -0.30 2.92 0.11 0.27 -1.35 120.40 123.90 1gqg s VAL 285 Ca 0.23 -0.89 0.01 0.00 -2.93 0.00 0.00 61.98 58.41 1gqg s VAL 285 Cb -0.15 -1.46 0.09 0.00 -1.53 0.00 0.00 36.38 33.33 1gqg s VAL 285 CO 0.09 0.49 0.03 -1.58 -3.33 0.00 0.00 175.10 170.80 1gqg s GLN 286 N -0.13 1.27 -0.17 1.54 0.74 0.39 -0.79 119.66 122.51 1gqg s GLN 286 Ca -0.02 -1.34 -0.05 0.00 0.05 0.00 0.00 55.36 54.01 1gqg s GLN 286 Cb -0.12 -2.61 -0.03 0.00 1.10 0.00 0.00 33.01 31.35 1gqg s GLN 286 CO 0.02 -0.85 -0.01 0.42 -0.55 0.00 0.00 175.29 174.32 1gqg s ILE 287 N 1.29 4.07 0.00 -2.34 1.01 -1.26 -1.41 121.20 122.56 1gqg s ILE 287 Ca 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.41 1gqg s ILE 287 Cb -0.18 -2.80 0.00 0.00 0.01 0.00 0.00 42.46 39.48 1gqg s ILE 287 CO -0.13 0.48 0.00 0.61 0.00 0.00 0.00 174.94 175.90 1gqg n GLY 288 N 3.62 3.43 1.46 6.18 0.00 0.17 -1.18 105.19 118.86 1gqg n GLY 288 Ca -0.17 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 4.45 4.43 -4.87 1.61 5.68 -1.26 -4.98 116.55 121.61 1gqg n ASP 289 Ca 0.00 -2.32 -0.31 0.00 -0.50 0.00 0.00 54.79 51.66 1gqg n ASP 289 Cb 0.00 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 39.45 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 -1.60 3.60 0.49 2.11 2.02 -0.33 -5.03 117.35 118.62 1gqg s TYR 290 Ca 0.49 1.25 -0.23 0.00 -0.37 0.00 0.00 57.07 58.21 1gqg s TYR 290 Cb 0.30 -2.68 -0.07 0.00 -0.40 0.00 0.00 41.96 39.12 1gqg s TYR 290 CO 0.26 -0.61 1.26 0.00 -1.57 0.00 0.00 175.55 174.90 1gqg s ALA 291 N -3.07 2.95 0.23 3.71 0.00 -1.26 -4.34 121.76 119.99 1gqg s ALA 291 Ca 0.54 1.13 -0.31 0.00 0.00 0.00 0.00 51.96 53.32 1gqg s ALA 291 Cb -0.11 -3.47 -0.12 0.00 0.00 0.00 0.00 23.12 19.42 1gqg s ALA 291 CO 0.51 -0.97 1.67 0.00 0.00 0.00 0.00 175.76 176.97 1gqg n ALA 292 N -0.62 2.61 -3.12 0.00 0.00 -1.26 -4.66 120.51 113.45 1gqg n ALA 292 Ca 0.08 0.39 -0.19 0.00 0.00 0.00 0.00 53.44 53.72 1gqg n ALA 292 Cb 0.46 -2.49 -0.15 0.00 0.00 0.00 0.00 19.45 17.27 1gqg n ALA 292 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1gqg s THR 293 N 0.74 0.67 -0.15 0.00 2.01 0.03 -4.94 115.64 113.99 1gqg s THR 293 Ca 0.72 -0.28 -0.14 0.00 0.31 0.00 0.00 61.69 62.29 1gqg s THR 293 Cb -0.52 -0.61 -0.05 0.00 0.01 0.00 0.00 72.50 71.34 1gqg s THR 293 CO 0.38 0.22 0.30 -0.70 -0.69 0.00 0.00 174.62 174.13 1gqg s GLU 294 N 0.30 4.21 -0.06 4.92 2.12 -1.26 -0.56 118.70 128.36 1gqg s GLU 294 Ca -0.04 0.11 0.02 0.00 0.36 0.00 0.00 54.97 55.42 1gqg s GLU 294 Cb -0.09 -3.41 -0.03 0.00 0.26 0.00 0.00 34.13 30.87 1gqg s GLU 294 CO 0.00 0.28 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.39 1gqg s LEU 295 N 0.34 2.97 0.00 2.70 1.02 0.21 -4.94 118.68 120.97 1gqg s LEU 295 Ca 0.17 -0.11 0.00 0.00 0.02 0.00 0.00 54.13 54.21 1gqg s LEU 295 Cb -0.13 -1.63 0.00 0.00 0.02 0.00 0.00 46.19 44.45 1gqg s LEU 295 CO 0.04 0.35 0.00 0.61 0.02 0.00 0.00 176.35 177.37 1gqg n GLY 296 N 2.31 5.83 3.67 -3.19 0.00 -1.26 -1.64 105.19 110.91 1gqg n GLY 296 Ca -0.18 -2.09 -0.47 0.00 0.00 0.00 0.00 46.02 43.28 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 -0.49 3.07 0.00 1.61 3.41 -1.26 -1.47 113.62 118.49 1gqg n SER 297 Ca 0.00 1.07 0.00 0.00 -0.26 0.00 0.00 58.87 59.68 1gqg n SER 297 Cb 0.00 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 62.55 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 3.53 2.54 3.79 5.00 0.00 0.30 -4.58 105.19 115.76 1gqg n GLY 298 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.76 6.21 -0.04 1.61 1.01 -0.54 -3.81 116.67 117.35 1gqg s ASP 299 Ca 0.00 2.06 0.06 0.00 0.71 0.00 0.00 52.55 55.38 1gqg s ASP 299 Cb 0.00 -2.57 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 1gqg s ASP 299 CO 0.00 -0.88 -0.21 -0.69 0.21 0.00 0.00 175.17 173.60 1gqg s VAL 300 N -1.82 1.73 -0.05 -1.27 1.01 -0.44 -1.14 120.40 118.42 1gqg s VAL 300 Ca 0.67 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.80 1gqg s VAL 300 Cb -0.21 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 1gqg s VAL 300 CO 0.25 0.49 -0.22 0.00 0.00 0.00 0.00 175.10 175.62 1gqg s ALA 301 N -0.21 2.33 -0.11 5.51 0.00 -0.22 -1.03 121.76 128.02 1gqg s ALA 301 Ca 0.00 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 50.95 1gqg s ALA 301 Cb -0.11 -0.76 0.01 0.00 0.00 0.00 0.00 23.12 22.26 1gqg s ALA 301 CO 0.02 0.47 -0.21 0.12 0.00 0.00 0.00 175.76 176.16 1gqg s PHE 302 N -0.39 2.37 -0.20 0.00 5.36 -0.06 -1.57 117.98 123.49 1gqg s PHE 302 Ca 0.03 -1.06 0.01 0.00 -0.96 0.00 0.00 56.93 54.96 1gqg s PHE 302 Cb -0.12 -1.62 0.04 0.00 -0.34 0.00 0.00 43.02 40.98 1gqg s PHE 302 CO 0.02 -0.47 -0.12 0.42 -1.46 0.00 0.00 175.22 173.60 1gqg s ILE 303 N 0.61 1.81 0.72 3.12 1.09 -0.23 -2.31 121.20 126.01 1gqg s ILE 303 Ca -0.13 -1.08 -0.16 0.00 -1.10 0.00 0.00 60.65 58.18 1gqg s ILE 303 Cb -0.17 -1.83 0.03 0.00 -1.06 0.00 0.00 42.46 39.44 1gqg s ILE 303 CO 0.04 0.22 1.23 -2.84 -0.10 0.00 0.00 174.94 173.49 1gqg s PRO 304 N 1.33 2.16 0.41 2.79 0.02 -1.26 -1.65 135.00 138.80 1gqg s PRO 304 Ca -0.01 1.85 -0.27 0.00 0.02 0.00 0.00 61.00 62.59 1gqg s PRO 304 Cb -0.16 -1.83 -0.10 0.00 0.02 0.00 0.00 34.50 32.44 1gqg s PRO 304 CO -0.09 -1.84 1.47 0.20 -0.33 0.00 0.00 177.00 176.41 1gqg s GLY 305 N -1.87 2.93 0.00 0.52 0.00 -1.25 -2.36 107.32 105.30 1gqg s GLY 305 Ca 0.76 1.54 0.00 0.00 0.00 0.00 0.00 44.72 47.03 1gqg s GLY 305 CO 0.45 2.20 0.00 0.61 0.00 0.00 0.00 173.10 176.36 1gqg n GLY 306 N 0.50 0.86 3.58 0.20 0.00 1.00 -4.89 105.19 106.44 1gqg n GLY 306 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.40 4.40 0.33 1.61 1.01 -1.00 -4.95 120.40 118.40 1gqg s VAL 307 Ca 0.00 -0.18 -0.28 0.00 0.00 0.00 0.00 61.98 61.53 1gqg s VAL 307 Cb 0.00 -2.96 -0.09 0.00 0.00 0.00 0.00 36.38 33.33 1gqg s VAL 307 CO 0.00 0.48 1.11 -1.61 0.00 0.00 0.00 175.10 175.09 1gqg s GLU 308 N 0.29 4.43 0.17 2.72 2.02 -1.26 -4.55 118.70 122.51 1gqg s GLU 308 Ca 0.01 1.78 -0.16 0.00 0.02 0.00 0.00 54.97 56.62 1gqg s GLU 308 Cb -0.13 -2.97 0.03 0.00 0.10 0.00 0.00 34.13 31.16 1gqg s GLU 308 CO 0.01 0.03 0.45 -0.59 0.02 0.00 0.00 175.26 175.18 1gqg s PHE 309 N -1.30 -0.09 0.03 1.61 -0.71 0.01 -0.66 117.98 116.87 1gqg s PHE 309 Ca 0.49 -0.24 0.02 0.00 -1.04 0.00 0.00 56.93 56.17 1gqg s PHE 309 Cb -0.30 0.29 -0.02 0.00 -1.21 0.00 0.00 43.02 41.78 1gqg s PHE 309 CO 0.39 -0.81 -0.08 0.15 -1.34 0.00 0.00 175.22 173.52 1gqg s LYS 310 N -3.86 0.56 0.03 1.99 1.02 -0.50 -0.18 119.74 118.80 1gqg s LYS 310 Ca 0.08 -0.65 -0.05 0.00 0.02 0.00 0.00 55.97 55.37 1gqg s LYS 310 Cb 0.01 -0.41 -0.01 0.00 -0.52 0.00 0.00 37.83 36.90 1gqg s LYS 310 CO -0.06 0.09 0.08 1.52 -0.92 0.00 0.00 175.35 176.05 1gqg s TYR 311 N -1.06 0.22 0.17 3.18 1.13 -1.26 -0.46 117.35 119.27 1gqg s TYR 311 Ca -0.06 -0.52 -0.21 0.00 -1.41 0.00 0.00 57.07 54.87 1gqg s TYR 311 Cb -0.08 -0.16 0.05 0.00 -1.10 0.00 0.00 41.96 40.67 1gqg s TYR 311 CO 0.00 -0.34 0.56 1.52 -2.51 0.00 0.00 175.55 174.78 1gqg s TYR 312 N -2.50 -0.39 -0.20 -3.49 -0.85 -0.46 -4.84 117.35 104.62 1gqg s TYR 312 Ca -0.06 0.11 -0.15 0.00 -0.52 0.00 0.00 57.07 56.46 1gqg s TYR 312 Cb -0.02 0.49 -0.04 0.00 0.38 0.00 0.00 41.96 42.77 1gqg s TYR 312 CO -0.04 -0.87 0.36 0.45 -1.52 0.00 0.00 175.55 173.93 1gqg s SER 313 N -2.79 6.40 0.03 -0.18 0.15 -1.26 -0.41 113.70 115.63 1gqg s SER 313 Ca 0.03 0.46 -0.04 0.00 0.70 0.00 0.00 55.95 57.11 1gqg s SER 313 Cb -0.01 -2.21 -0.28 0.00 -1.71 0.00 0.00 66.02 61.81 1gqg s SER 313 CO -0.10 -0.04 0.96 -0.08 1.20 0.00 0.00 173.24 175.18 1gqg h GLU 314 N 7.33 0.27 -7.21 5.44 4.57 -1.21 -3.40 114.58 120.37 1gqg h GLU 314 Ca -0.37 -0.47 -0.51 0.00 -1.18 0.00 0.00 59.36 56.84 1gqg h GLU 314 Cb 1.16 0.17 0.10 0.00 -0.16 0.00 0.00 28.75 30.03 1gqg h GLU 314 CO 0.71 1.17 0.37 0.00 -1.18 0.00 0.00 179.01 180.08 1gqg s ALA 315 N -2.63 2.50 0.43 2.92 0.00 -1.08 -4.93 121.76 118.97 1gqg s ALA 315 Ca -0.07 0.51 0.30 0.00 0.00 0.00 0.00 51.96 52.69 1gqg s ALA 315 Cb 0.07 -3.30 1.57 0.00 0.00 0.00 0.00 23.12 21.46 1gqg s ALA 315 CO 0.87 -1.24 2.11 1.88 0.00 0.00 0.00 175.76 179.38 1gqg h TYR 316 N 0.02 0.00 -2.80 0.00 0.05 -1.90 -3.38 116.97 108.96 1gqg h TYR 316 Ca -0.47 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.15 1gqg h TYR 316 Cb 1.24 0.00 -0.29 0.00 1.01 0.00 0.00 36.73 38.69 1gqg h TYR 316 CO 0.55 0.09 -0.42 0.12 -1.05 0.00 0.00 178.16 177.45 1gqg s PHE 317 N -4.20 -0.50 0.11 4.88 2.19 -1.26 -3.87 117.98 115.33 1gqg s PHE 317 Ca -0.03 1.08 0.06 0.00 0.33 0.00 0.00 56.93 58.37 1gqg s PHE 317 Cb 0.13 0.14 -0.04 0.00 -1.31 0.00 0.00 43.02 41.94 1gqg s PHE 317 CO 0.56 -0.33 -0.14 -1.12 1.83 0.00 0.00 175.22 176.03 1gqg s SER 318 N 1.72 1.88 -0.03 6.13 0.01 -0.64 -4.37 113.70 118.39 1gqg s SER 318 Ca -0.06 -0.76 0.01 0.00 1.31 0.00 0.00 55.95 56.44 1gqg s SER 318 Cb -0.10 -0.06 0.02 0.00 0.21 0.00 0.00 66.02 66.09 1gqg s SER 318 CO -0.10 -0.13 -0.02 -0.75 0.41 0.00 0.00 173.24 172.64 1gqg s LYS 319 N -2.44 0.50 0.17 12.44 2.20 -0.01 -0.19 119.74 132.41 1gqg s LYS 319 Ca 0.06 -0.02 0.09 0.00 -0.36 0.00 0.00 55.97 55.73 1gqg s LYS 319 Cb -0.06 -0.59 -0.04 0.00 -1.51 0.00 0.00 37.83 35.63 1gqg s LYS 319 CO 0.03 -0.09 -0.18 0.14 -0.36 0.00 0.00 175.35 174.89 1gqg s VAL 320 N 0.84 1.83 -0.20 4.02 -7.23 0.01 -0.46 120.40 119.20 1gqg s VAL 320 Ca -0.09 -1.93 -0.16 0.00 -1.81 0.00 0.00 61.98 57.98 1gqg s VAL 320 Cb -0.13 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 1gqg s VAL 320 CO -0.01 -0.32 0.42 -0.22 -0.31 0.00 0.00 175.10 174.66 1gqg s LEU 321 N -2.68 4.15 -0.07 1.32 2.96 -0.18 -1.16 118.68 123.02 1gqg s LEU 321 Ca 0.16 0.54 0.05 0.00 -0.22 0.00 0.00 54.13 54.66 1gqg s LEU 321 Cb -0.06 -2.55 -0.00 0.00 0.50 0.00 0.00 46.19 44.08 1gqg s LEU 321 CO 0.07 -0.10 -0.21 0.12 -1.32 0.00 0.00 176.35 174.91 1gqg s PHE 322 N 1.39 2.15 0.01 5.38 5.36 0.93 -1.06 117.98 132.15 1gqg s PHE 322 Ca 0.20 -0.72 0.05 0.00 -0.96 0.00 0.00 56.93 55.50 1gqg s PHE 322 Cb -0.15 -1.44 -0.02 0.00 -0.34 0.00 0.00 43.02 41.07 1gqg s PHE 322 CO 0.08 -0.26 -0.15 0.54 -1.46 0.00 0.00 175.22 173.97 1gqg s VAL 323 N 0.11 1.18 -0.03 3.12 0.11 -0.23 -1.27 120.40 123.39 1gqg s VAL 323 Ca -0.09 -0.78 -0.03 0.00 -2.93 0.00 0.00 61.98 58.16 1gqg s VAL 323 Cb -0.14 -1.01 0.01 0.00 -1.53 0.00 0.00 36.38 33.71 1gqg s VAL 323 CO 0.05 0.22 0.08 -0.55 -3.33 0.00 0.00 175.10 171.57 1gqg s SER 324 N -0.65 -0.07 0.04 3.54 0.15 -0.64 -1.09 113.70 114.98 1gqg s SER 324 Ca 0.05 0.17 -0.26 0.00 0.70 0.00 0.00 55.95 56.60 1gqg s SER 324 Cb -0.07 0.15 -0.05 0.00 -1.71 0.00 0.00 66.02 64.34 1gqg s SER 324 CO 0.00 -0.05 0.81 -0.55 1.20 0.00 0.00 173.24 174.64 1gqg s SER 325 N 0.29 7.25 0.00 5.45 0.15 0.13 -0.79 113.70 126.19 1gqg s SER 325 Ca -0.02 1.50 0.00 0.00 0.70 0.00 0.00 55.95 58.13 1gqg s SER 325 Cb -0.03 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1gqg s SER 325 CO -0.01 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.01 1gqg n GLY 326 N 2.46 1.36 0.27 9.45 0.00 0.17 -3.99 105.19 114.91 1gqg n GLY 326 Ca -0.01 -2.13 0.09 0.00 0.00 0.00 0.00 46.02 43.97 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 1.50 -2.36 1.61 3.41 -1.26 -3.37 113.62 113.15 1gqg n SER 327 Ca 0.00 -1.25 -0.18 0.00 -0.26 0.00 0.00 58.87 57.19 1gqg n SER 327 Cb 0.00 0.68 0.02 0.00 -0.26 0.00 0.00 64.21 64.65 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 -0.60 3.78 -2.63 4.04 9.92 -1.26 -4.87 116.55 124.92 1gqg n ASP 328 Ca 0.06 -3.24 -0.04 0.00 -0.53 0.00 0.00 54.79 51.04 1gqg n ASP 328 Cb 0.37 -0.41 0.04 0.00 -0.64 0.00 0.00 41.12 40.48 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 -0.58 -2.40 0.18 0.44 0.00 -1.26 -4.60 105.19 96.96 1gqg n GLY 329 Ca 0.31 -1.47 -0.07 0.00 0.00 0.00 0.00 46.02 44.79 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 0.44 -0.06 0.99 5.85 -1.97 -0.39 115.31 120.17 1gqg h LEU 330 Ca -0.06 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1gqg h LEU 330 Cb 0.18 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 1gqg h LEU 330 CO 0.04 0.32 0.03 -2.24 -0.34 0.00 0.00 178.44 176.25 1gqg h ASP 331 N 0.53 0.07 -0.84 1.25 2.03 -1.97 -0.87 116.42 116.63 1gqg h ASP 331 Ca 0.16 -0.06 -0.02 0.00 -0.73 0.00 0.00 57.03 56.38 1gqg h ASP 331 Cb -0.03 -0.02 -0.04 0.00 -0.83 0.00 0.00 39.33 38.41 1gqg h ASP 331 CO -0.05 0.11 0.45 -0.61 -1.03 0.00 0.00 179.24 178.11 1gqg h GLN 332 N 0.03 1.19 -0.47 4.15 5.75 -1.83 -0.40 115.11 123.53 1gqg h GLN 332 Ca 0.02 -0.14 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 1gqg h GLN 332 Cb 0.05 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.35 1gqg h GLN 332 CO -0.00 0.88 0.31 -0.97 -2.65 0.00 0.00 178.83 176.39 1gqg h ASN 333 N 1.19 0.54 -0.46 -0.69 -0.73 -0.77 0.55 115.58 115.21 1gqg h ASN 333 Ca 0.30 -0.02 -0.10 0.00 1.87 0.00 0.00 56.30 58.35 1gqg h ASN 333 Cb 0.04 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 38.48 1gqg h ASN 333 CO -0.05 0.39 -0.07 -0.07 -0.37 0.00 0.00 177.43 177.27 1gqg h LEU 334 N 0.63 0.90 -0.06 0.34 3.38 -0.67 -1.75 115.31 118.08 1gqg h LEU 334 Ca 0.17 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1gqg h LEU 334 Cb -0.07 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.43 1gqg h LEU 334 CO -0.04 1.00 0.03 0.58 0.09 0.00 0.00 178.44 180.10 1gqg h VAL 335 N 0.83 1.10 0.00 1.22 2.07 -0.77 -1.61 116.25 119.09 1gqg h VAL 335 Ca 0.14 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1gqg h VAL 335 Cb 0.59 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1gqg h VAL 335 CO 0.04 0.09 -0.11 0.78 0.02 0.00 0.00 177.57 178.38 1gqg h ASN 336 N -0.03 0.00 -0.03 0.57 -0.26 -0.69 -1.29 115.58 113.85 1gqg h ASN 336 Ca 0.02 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 1gqg h ASN 336 Cb 0.12 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.38 1gqg h ASN 336 CO -0.00 0.11 0.00 0.61 -1.06 0.00 0.00 177.43 177.09 1gqg n GLY 337 N -1.00 0.34 0.00 2.83 0.00 -0.68 -4.94 105.19 101.74 1gqg n GLY 337 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 1.23 4.29 3.14 -0.02 0.00 -0.49 -4.73 105.19 108.62 1gqg n GLY 338 Ca 0.17 -1.86 -0.08 0.00 0.00 0.00 0.00 46.02 44.24 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 2.51 0.70 0.52 1.61 -1.05 -0.44 -4.96 118.70 117.59 1gqg s GLU 339 Ca 0.00 -0.97 -0.23 0.00 -0.15 0.00 0.00 54.97 53.62 1gqg s GLU 339 Cb 0.00 0.27 -0.06 0.00 -0.44 0.00 0.00 34.13 33.90 1gqg s GLU 339 CO 0.00 -0.18 1.35 0.39 0.95 0.00 0.00 175.26 177.77 1gqg n GLU 340 N 0.24 1.78 -3.79 -4.83 1.02 -1.26 -0.66 120.64 113.15 1gqg n GLU 340 Ca -0.16 0.65 -0.13 0.00 -0.02 0.00 0.00 57.16 57.51 1gqg n GLU 340 Cb 0.61 -2.56 -0.12 0.00 -0.02 0.00 0.00 31.44 29.35 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 -1.27 -0.24 -1.39 -0.32 -0.11 -0.40 -4.64 118.94 110.58 1gqg s TRP 341 Ca 0.69 0.58 0.17 0.00 1.22 0.00 0.00 56.10 58.76 1gqg s TRP 341 Cb -0.43 0.07 0.49 0.00 -1.50 0.00 0.00 33.47 32.10 1gqg s TRP 341 CO 0.51 -0.13 1.41 -1.13 -4.62 0.00 0.00 176.95 173.00 1gqg n SER 342 N 3.20 3.54 -4.26 5.86 3.41 -1.26 -3.91 113.62 120.19 1gqg n SER 342 Ca -0.15 -2.06 -0.20 0.00 -0.26 0.00 0.00 58.87 56.20 1gqg n SER 342 Cb 0.57 -0.38 -0.12 0.00 -0.26 0.00 0.00 64.21 64.03 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 -1.02 2.23 0.01 4.04 0.15 -1.26 -5.01 113.70 112.84 1gqg s SER 343 Ca 0.37 -0.76 0.29 0.00 0.70 0.00 0.00 55.95 56.55 1gqg s SER 343 Cb 0.20 -0.10 1.21 0.00 -1.71 0.00 0.00 66.02 65.62 1gqg s SER 343 CO 0.24 -0.06 1.92 1.33 1.20 0.00 0.00 173.24 177.87 1gqg n VAL 344 N 0.74 0.04 -4.05 4.45 0.24 -1.26 -4.79 118.33 113.70 1gqg n VAL 344 Ca -0.17 -0.01 -0.31 0.00 -2.04 0.00 0.00 64.34 61.81 1gqg n VAL 344 Cb 0.56 -0.51 -0.06 0.00 -1.47 0.00 0.00 33.84 32.35 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 -3.07 5.57 0.54 -1.34 0.01 -1.26 -5.03 113.70 109.12 1gqg s SER 345 Ca 0.14 0.01 -0.00 0.00 1.31 0.00 0.00 55.95 57.41 1gqg s SER 345 Cb 0.19 -1.51 0.02 0.00 0.21 0.00 0.00 66.02 64.93 1gqg s SER 345 CO 0.53 0.18 0.78 0.72 0.41 0.00 0.00 173.24 175.86 1gqg s PHE 346 N -1.38 3.01 0.65 2.43 -0.12 -1.26 -5.02 117.98 116.28 1gqg s PHE 346 Ca 0.29 0.17 -0.18 0.00 -0.05 0.00 0.00 56.93 57.16 1gqg s PHE 346 Cb -0.12 -2.67 -0.02 0.00 -0.63 0.00 0.00 43.02 39.58 1gqg s PHE 346 CO 0.22 -0.77 1.14 -2.30 -0.05 0.00 0.00 175.22 173.45 1gqg n PRO 347 N -2.35 0.93 0.18 1.99 -0.02 -1.26 -4.90 135.00 129.57 1gqg n PRO 347 Ca 0.06 0.37 0.14 0.00 -2.02 0.00 0.00 63.50 62.04 1gqg n PRO 347 Cb 0.59 -2.37 0.45 0.00 -0.02 0.00 0.00 33.50 32.15 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 0.36 1.00 -4.00 3.55 0.00 -2.08 -3.44 119.26 114.65 1gqg h ALA 348 Ca -0.50 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 53.77 1gqg h ALA 348 Cb 1.35 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.90 1gqg h ALA 348 CO 0.51 0.00 -0.86 -0.51 0.00 0.00 0.00 179.25 178.39 1gqg s ASP 349 N -5.10 2.92 0.00 0.00 1.01 -1.26 -5.28 116.67 108.96 1gqg s ASP 349 Ca 0.06 -0.64 0.17 0.00 0.71 0.00 0.00 52.55 52.84 1gqg s ASP 349 Cb 0.09 -0.22 0.99 0.00 1.01 0.00 0.00 42.92 44.79 1gqg s ASP 349 CO 0.54 0.17 1.39 0.79 0.21 0.00 0.00 175.17 178.28