#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gkq s LEU 3 N 0.00 2.07 -0.08 2.45 2.96 0.15 -1.33 118.68 124.91 1gkq s LEU 3 Ca 0.00 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 53.54 1gkq s LEU 3 Cb 0.00 -0.84 0.03 0.00 0.50 0.00 0.00 46.19 45.89 1gkq s LEU 3 CO 0.00 0.18 0.04 -0.22 -1.32 0.00 0.00 176.35 175.03 1gkq s LEU 4 N -0.59 0.36 -0.26 -0.68 2.96 -0.26 -0.45 118.68 119.77 1gkq s LEU 4 Ca 0.06 -0.11 -0.05 0.00 -0.22 0.00 0.00 54.13 53.80 1gkq s LEU 4 Cb -0.07 -0.27 0.00 0.00 0.50 0.00 0.00 46.19 46.35 1gkq s LEU 4 CO -0.00 -0.25 0.02 -0.63 -1.32 0.00 0.00 176.35 174.17 1gkq s ILE 5 N 2.09 3.66 0.23 6.68 1.01 -0.42 -0.32 121.20 134.12 1gkq s ILE 5 Ca 0.04 -0.60 0.11 0.00 0.00 0.00 0.00 60.65 60.20 1gkq s ILE 5 Cb -0.13 -2.79 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 1gkq s ILE 5 CO -0.05 0.24 -0.20 -1.59 0.00 0.00 0.00 174.94 173.35 1gkq s LYS 6 N 1.48 1.52 -1.89 2.79 -2.85 -0.40 -0.91 119.74 119.49 1gkq s LYS 6 Ca 0.04 -1.62 0.00 0.00 -1.00 0.00 0.00 55.97 53.39 1gkq s LYS 6 Cb -0.16 -1.63 0.00 0.00 -2.06 0.00 0.00 37.83 33.99 1gkq s LYS 6 CO -0.00 0.32 0.00 0.09 0.10 0.00 0.00 175.35 175.86 1gkq n ASN 7 N -0.19 -5.35 -4.93 0.03 3.02 -1.26 -0.17 115.26 106.41 1gkq n ASN 7 Ca -0.09 0.31 -0.26 0.00 -0.03 0.00 0.00 54.58 54.51 1gkq n ASN 7 Cb 0.58 -4.48 -0.03 0.00 -0.61 0.00 0.00 39.78 35.24 1gkq n ASN 7 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1gkq s GLY 8 N -2.58 1.69 -0.47 7.41 0.00 -1.25 -3.09 107.32 109.03 1gkq s GLY 8 Ca 0.00 -1.05 -0.21 0.00 0.00 0.00 0.00 44.72 43.46 1gkq s GLY 8 CO 0.00 -1.05 0.67 1.85 0.00 0.00 0.00 173.10 174.57 1gkq s GLU 9 N -3.25 3.24 -0.02 2.90 2.12 -0.54 -3.33 118.70 119.82 1gkq s GLU 9 Ca 0.34 -0.51 -0.30 0.00 0.36 0.00 0.00 54.97 54.86 1gkq s GLU 9 Cb -0.11 -4.01 -0.03 0.00 0.26 0.00 0.00 34.13 30.24 1gkq s GLU 9 CO 0.28 -1.13 1.04 0.42 -0.54 0.00 0.00 175.26 175.33 1gkq s ILE 10 N 2.90 4.67 -0.12 -3.70 1.01 0.27 -1.09 121.20 125.13 1gkq s ILE 10 Ca 0.21 1.92 -0.01 0.00 0.00 0.00 0.00 60.65 62.77 1gkq s ILE 10 Cb -0.15 -4.23 0.03 0.00 0.01 0.00 0.00 42.46 38.12 1gkq s ILE 10 CO 0.17 0.10 -0.03 -0.63 0.00 0.00 0.00 174.94 174.55 1gkq s ILE 11 N 1.35 0.75 0.29 2.92 1.01 -0.76 -1.28 121.20 125.47 1gkq s ILE 11 Ca 0.53 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.93 1gkq s ILE 11 Cb -0.22 -0.91 -0.00 0.00 0.01 0.00 0.00 42.46 41.33 1gkq s ILE 11 CO 0.25 0.21 0.01 0.35 0.00 0.00 0.00 174.94 175.76 1gkq n THR 12 N 5.01 0.00 0.25 2.92 -2.24 -0.30 -4.39 114.28 115.53 1gkq n THR 12 Ca -0.10 -1.37 0.09 0.00 -2.27 0.00 0.00 64.05 60.40 1gkq n THR 12 Cb 0.49 0.29 0.63 0.00 -2.10 0.00 0.00 70.33 69.65 1gkq n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gkq h ALA 13 N 1.17 1.48 0.00 6.98 0.00 -1.91 -3.26 119.26 123.72 1gkq h ALA 13 Ca -0.24 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1gkq h ALA 13 Cb 0.73 -0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.32 1gkq h ALA 13 CO 0.39 0.18 -0.69 -0.40 0.00 0.00 0.00 179.25 178.73 1gkq n ASP 14 N -3.96 1.15 -3.53 0.00 5.75 -1.26 -4.77 116.55 109.93 1gkq n ASP 14 Ca -0.02 -2.62 -0.16 0.00 -0.01 0.00 0.00 54.79 51.98 1gkq n ASP 14 Cb 0.24 -0.36 -0.05 0.00 -1.03 0.00 0.00 41.12 39.92 1gkq n ASP 14 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1gkq s SER 15 N -2.24 -0.56 -0.23 -1.12 1.04 -1.23 -5.15 113.70 104.21 1gkq s SER 15 Ca 0.29 0.43 -0.06 0.00 0.48 0.00 0.00 55.95 57.09 1gkq s SER 15 Cb 0.30 0.53 0.11 0.00 0.10 0.00 0.00 66.02 67.06 1gkq s SER 15 CO -0.09 -0.69 0.47 -0.60 0.98 0.00 0.00 173.24 173.31 1gkq s ARG 16 N -1.93 0.39 0.20 4.02 3.52 -1.26 -1.15 118.95 122.75 1gkq s ARG 16 Ca -0.08 1.02 -0.23 0.00 -0.13 0.00 0.00 55.73 56.32 1gkq s ARG 16 Cb -0.01 0.31 0.06 0.00 -1.56 0.00 0.00 34.95 33.75 1gkq s ARG 16 CO 0.03 -0.34 0.92 1.52 -0.81 0.00 0.00 175.30 176.63 1gkq s TYR 17 N 2.67 -0.07 -0.16 5.12 1.13 -0.40 -4.99 117.35 120.65 1gkq s TYR 17 Ca 0.02 -0.32 -0.01 0.00 -1.41 0.00 0.00 57.07 55.34 1gkq s TYR 17 Cb -0.13 0.69 -0.01 0.00 -1.10 0.00 0.00 41.96 41.40 1gkq s TYR 17 CO -0.15 -0.99 -0.11 0.15 -2.51 0.00 0.00 175.55 171.94 1gkq s LYS 18 N -3.04 3.39 0.05 -3.49 1.02 -1.26 0.94 119.74 117.34 1gkq s LYS 18 Ca 0.14 -0.66 -0.27 0.00 0.02 0.00 0.00 55.97 55.20 1gkq s LYS 18 Cb -0.03 -2.74 0.10 0.00 -0.52 0.00 0.00 37.83 34.64 1gkq s LYS 18 CO 0.05 0.09 1.20 0.00 -0.92 0.00 0.00 175.35 175.77 1gkq s ALA 19 N 0.68 -2.11 0.09 5.17 0.00 -1.21 -4.87 121.76 119.50 1gkq s ALA 19 Ca -0.05 0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.11 1gkq s ALA 19 Cb -0.15 0.66 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 1gkq s ALA 19 CO 0.02 -1.09 0.14 -0.51 0.00 0.00 0.00 175.76 174.32 1gkq s ASP 20 N -3.36 5.83 -0.15 0.00 1.01 0.18 -4.04 116.67 116.14 1gkq s ASP 20 Ca 0.21 0.07 0.02 0.00 0.71 0.00 0.00 52.55 53.56 1gkq s ASP 20 Cb 0.01 -1.65 0.01 0.00 1.01 0.00 0.00 42.92 42.29 1gkq s ASP 20 CO -0.00 0.15 -0.20 -0.63 0.21 0.00 0.00 175.17 174.71 1gkq s ILE 21 N -1.48 2.27 -0.15 0.77 1.01 -0.08 -2.21 121.20 121.33 1gkq s ILE 21 Ca 0.31 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 60.07 1gkq s ILE 21 Cb -0.12 -1.93 0.01 0.00 0.01 0.00 0.00 42.46 40.43 1gkq s ILE 21 CO 0.24 0.54 -0.19 -0.47 0.00 0.00 0.00 174.94 175.06 1gkq s TYR 22 N 0.82 2.72 -0.24 3.97 5.04 -0.27 -1.30 117.35 128.08 1gkq s TYR 22 Ca -0.06 -1.27 0.02 0.00 -2.44 0.00 0.00 57.07 53.32 1gkq s TYR 22 Cb -0.15 -1.85 0.05 0.00 0.35 0.00 0.00 41.96 40.36 1gkq s TYR 22 CO -0.01 -0.58 -0.13 0.00 -1.34 0.00 0.00 175.55 173.48 1gkq s ALA 23 N 0.86 2.45 0.05 3.97 0.00 0.41 0.02 121.76 129.52 1gkq s ALA 23 Ca -0.05 -1.59 -0.20 0.00 0.00 0.00 0.00 51.96 50.12 1gkq s ALA 23 Cb -0.15 -1.47 -0.13 0.00 0.00 0.00 0.00 23.12 21.37 1gkq s ALA 23 CO -0.02 -0.97 1.38 1.49 0.00 0.00 0.00 175.76 177.64 1gkq h GLU 24 N 7.83 0.39 0.00 0.00 4.81 -1.83 0.44 114.58 126.23 1gkq h GLU 24 Ca -0.26 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1gkq h GLU 24 Cb 1.07 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1gkq h GLU 24 CO 0.50 0.74 0.00 0.41 -0.73 0.00 0.00 179.01 179.93 1gkq n GLY 25 N 0.11 2.05 0.12 1.92 0.00 -1.26 -3.25 105.19 104.87 1gkq n GLY 25 Ca -0.06 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 45.96 1gkq n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1gkq h GLU 26 N 0.00 0.00 -6.13 1.61 5.08 -1.91 -3.38 114.58 109.85 1gkq h GLU 26 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 1gkq h GLU 26 Cb 0.00 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.15 1gkq h GLU 26 CO 0.00 0.05 -0.62 0.95 -1.00 0.00 0.00 179.01 178.38 1gkq s THR 27 N -3.29 3.08 -0.07 1.13 -4.23 -1.26 0.02 115.64 111.01 1gkq s THR 27 Ca -0.00 -1.92 -0.30 0.00 -1.18 0.00 0.00 61.69 58.29 1gkq s THR 27 Cb 0.09 -2.82 -0.04 0.00 1.34 0.00 0.00 72.50 71.08 1gkq s THR 27 CO 0.79 -0.29 1.37 -0.63 -0.54 0.00 0.00 174.62 175.31 1gkq s ILE 28 N -2.41 3.96 -0.15 2.99 1.01 -0.15 -3.88 121.20 122.57 1gkq s ILE 28 Ca 0.33 1.25 -0.20 0.00 0.00 0.00 0.00 60.65 62.03 1gkq s ILE 28 Cb -0.04 -3.80 -0.24 0.00 0.01 0.00 0.00 42.46 38.39 1gkq s ILE 28 CO 0.20 -0.06 0.46 0.74 0.00 0.00 0.00 174.94 176.28 1gkq h THR 29 N 5.25 1.13 -3.04 2.92 2.02 -0.76 -1.27 112.91 119.16 1gkq h THR 29 Ca -0.34 -2.30 -0.04 0.00 0.77 0.00 0.00 66.41 64.50 1gkq h THR 29 Cb 1.15 2.65 -0.13 0.00 -1.74 0.00 0.00 68.15 70.08 1gkq h THR 29 CO 0.93 0.53 0.10 0.00 0.37 0.00 0.00 175.52 177.45 1gkq s ARG 30 N -2.38 1.17 -0.03 6.66 1.70 -0.87 -4.82 118.95 120.38 1gkq s ARG 30 Ca -0.23 -0.47 0.02 0.00 -0.47 0.00 0.00 55.73 54.57 1gkq s ARG 30 Cb 0.04 0.53 0.01 0.00 -0.57 0.00 0.00 34.95 34.95 1gkq s ARG 30 CO 0.68 -0.48 -0.07 0.42 -1.08 0.00 0.00 175.30 174.78 1gkq s ILE 31 N -3.44 0.64 -0.08 4.99 1.01 -1.26 -1.12 121.20 121.93 1gkq s ILE 31 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.38 1gkq s ILE 31 Cb -0.00 -0.58 0.00 0.00 0.01 0.00 0.00 42.46 41.89 1gkq s ILE 31 CO -0.10 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.66 1gkq n GLY 32 N 3.41 -1.11 3.86 6.18 0.00 -0.94 -4.98 105.19 111.61 1gkq n GLY 32 Ca -0.19 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.46 1gkq n GLY 32 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gkq s GLN 33 N -1.94 3.69 -1.09 1.61 -0.21 -1.26 0.47 119.66 120.93 1gkq s GLN 33 Ca 0.00 0.11 -0.17 0.00 0.02 0.00 0.00 55.36 55.32 1gkq s GLN 33 Cb 0.00 -3.13 -0.02 0.00 1.00 0.00 0.00 33.01 30.86 1gkq s GLN 33 CO 0.00 0.68 0.80 0.09 -2.12 0.00 0.00 175.29 174.74 1gkq n ASN 34 N 1.50 -5.64 -4.80 5.90 3.02 -1.26 -4.94 115.26 109.03 1gkq n ASN 34 Ca -0.13 -0.93 -0.36 0.00 -0.03 0.00 0.00 54.58 53.13 1gkq n ASN 34 Cb 0.53 -3.66 -0.06 0.00 -0.61 0.00 0.00 39.78 35.98 1gkq n ASN 34 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1gkq s LEU 35 N -6.14 4.30 -0.33 3.41 1.43 -1.26 -5.04 118.68 115.05 1gkq s LEU 35 Ca 0.43 1.63 -0.11 0.00 -1.03 0.00 0.00 54.13 55.05 1gkq s LEU 35 Cb -0.14 -3.88 -0.01 0.00 0.03 0.00 0.00 46.19 42.19 1gkq s LEU 35 CO 0.84 -0.05 0.20 -1.61 0.23 0.00 0.00 176.35 175.95 1gkq s GLU 36 N -2.15 3.34 -0.07 1.70 2.02 -1.26 -5.07 118.70 117.21 1gkq s GLU 36 Ca 0.48 -0.74 -0.15 0.00 0.02 0.00 0.00 54.97 54.59 1gkq s GLU 36 Cb -0.17 -3.69 -0.05 0.00 0.10 0.00 0.00 34.13 30.32 1gkq s GLU 36 CO 0.22 -0.47 0.37 0.00 0.02 0.00 0.00 175.26 175.40 1gkq s ALA 37 N 1.65 3.65 0.89 5.21 0.00 -1.26 -5.06 121.76 126.85 1gkq s ALA 37 Ca 0.05 -0.30 -0.13 0.00 0.00 0.00 0.00 51.96 51.57 1gkq s ALA 37 Cb -0.17 -2.40 0.02 0.00 0.00 0.00 0.00 23.12 20.56 1gkq s ALA 37 CO 0.08 0.31 0.47 -0.35 0.00 0.00 0.00 175.76 176.26 1gkq n PRO 38 N 2.61 -0.14 -1.88 0.00 -0.04 -1.26 -4.83 135.00 129.46 1gkq n PRO 38 Ca -0.13 0.01 -0.39 0.00 -0.04 0.00 0.00 63.50 62.95 1gkq n PRO 38 Cb 0.52 -1.88 0.02 0.00 -0.04 0.00 0.00 33.50 32.13 1gkq n PRO 38 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1gkq s PRO 39 N -3.46 3.45 0.00 0.54 0.04 -1.26 -2.52 135.00 131.78 1gkq s PRO 39 Ca 0.59 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.84 1gkq s PRO 39 Cb -0.24 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 31.87 1gkq s PRO 39 CO 0.65 -0.94 0.00 0.41 0.04 0.00 0.00 177.00 177.16 1gkq n GLY 40 N 0.65 2.97 3.76 0.56 0.00 -1.26 -5.04 105.19 106.82 1gkq n GLY 40 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1gkq n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gkq s THR 41 N -2.80 2.04 -0.23 2.61 2.01 -1.05 -4.81 115.64 113.42 1gkq s THR 41 Ca 0.00 0.03 -0.28 0.00 0.31 0.00 0.00 61.69 61.76 1gkq s THR 41 Cb 0.00 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.49 1gkq s THR 41 CO 0.00 0.01 0.98 -0.70 -0.69 0.00 0.00 174.62 174.21 1gkq s GLU 42 N -1.06 4.25 -0.21 4.92 2.12 -0.44 -4.93 118.70 123.35 1gkq s GLU 42 Ca 0.60 1.24 -0.08 0.00 0.36 0.00 0.00 54.97 57.09 1gkq s GLU 42 Cb -0.48 -3.64 -0.04 0.00 0.26 0.00 0.00 34.13 30.24 1gkq s GLU 42 CO 0.53 -0.58 0.07 0.08 -0.54 0.00 0.00 175.26 174.83 1gkq s VAL 43 N 3.02 4.66 -0.16 3.70 1.01 -1.26 -1.10 120.40 130.27 1gkq s VAL 43 Ca 0.42 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.31 1gkq s VAL 43 Cb -0.15 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 1gkq s VAL 43 CO 0.07 0.41 -0.10 -0.63 0.00 0.00 0.00 175.10 174.85 1gkq s ILE 44 N 0.84 3.24 -0.33 2.22 -1.09 0.56 -4.99 121.20 121.65 1gkq s ILE 44 Ca 0.04 -0.58 -0.16 0.00 -2.23 0.00 0.00 60.65 57.72 1gkq s ILE 44 Cb -0.14 -2.40 -0.01 0.00 -1.58 0.00 0.00 42.46 38.33 1gkq s ILE 44 CO 0.02 0.49 0.43 -0.62 -1.23 0.00 0.00 174.94 174.04 1gkq s ASP 45 N 0.67 6.25 -0.28 3.58 2.15 -1.26 -1.27 116.67 126.50 1gkq s ASP 45 Ca -0.05 -0.06 0.12 0.00 0.43 0.00 0.00 52.55 52.99 1gkq s ASP 45 Cb -0.15 -2.23 0.74 0.00 -0.30 0.00 0.00 42.92 40.97 1gkq s ASP 45 CO 0.02 -0.38 1.74 0.00 -0.17 0.00 0.00 175.17 176.38 1gkq n ALA 46 N 5.53 4.19 -1.67 3.66 0.00 0.77 -4.95 120.51 128.04 1gkq n ALA 46 Ca -0.07 -2.27 -0.47 0.00 0.00 0.00 0.00 53.44 50.64 1gkq n ALA 46 Cb 0.49 -1.13 -0.04 0.00 0.00 0.00 0.00 19.45 18.77 1gkq n ALA 46 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1gkq n THR 47 N -0.02 0.12 -1.13 0.00 -1.04 -1.18 -1.08 114.28 109.95 1gkq n THR 47 Ca 0.35 -0.02 -0.05 0.00 -2.04 0.00 0.00 64.05 62.29 1gkq n THR 47 Cb 1.27 -1.60 -0.02 0.00 -1.82 0.00 0.00 70.33 68.16 1gkq n THR 47 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1gkq n GLY 48 N 3.61 0.71 3.28 3.41 0.00 -1.26 -5.02 105.19 109.92 1gkq n GLY 48 Ca 0.18 -0.47 -0.15 0.00 0.00 0.00 0.00 46.02 45.58 1gkq n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gkq s LYS 49 N -1.91 1.14 0.18 1.61 1.02 -0.24 -4.72 119.74 116.83 1gkq s LYS 49 Ca 0.00 -1.51 -0.06 0.00 0.02 0.00 0.00 55.97 54.42 1gkq s LYS 49 Cb 0.00 -0.68 -0.06 0.00 -0.52 0.00 0.00 37.83 36.57 1gkq s LYS 49 CO 0.00 0.06 0.44 0.71 -0.92 0.00 0.00 175.35 175.63 1gkq s TYR 50 N -3.30 3.46 -0.28 3.18 2.02 -0.43 -1.46 117.35 120.54 1gkq s TYR 50 Ca 0.20 0.62 0.02 0.00 -0.37 0.00 0.00 57.07 57.54 1gkq s TYR 50 Cb 0.03 -2.06 0.08 0.00 -0.40 0.00 0.00 41.96 39.60 1gkq s TYR 50 CO 0.03 0.36 -0.03 0.08 -1.57 0.00 0.00 175.55 174.42 1gkq s VAL 51 N -1.76 1.90 0.32 0.71 1.01 -0.25 0.22 120.40 122.55 1gkq s VAL 51 Ca 0.43 -1.72 0.07 0.00 0.00 0.00 0.00 61.98 60.75 1gkq s VAL 51 Cb -0.12 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 1gkq s VAL 51 CO 0.25 -0.29 0.34 -0.36 0.00 0.00 0.00 175.10 175.05 1gkq s PHE 52 N 1.17 3.05 0.59 5.22 0.08 -0.28 -1.83 117.98 125.97 1gkq s PHE 52 Ca -0.00 -0.23 -0.15 0.00 0.12 0.00 0.00 56.93 56.67 1gkq s PHE 52 Cb -0.19 -1.79 -0.04 0.00 -0.57 0.00 0.00 43.02 40.43 1gkq s PHE 52 CO -0.08 0.19 1.04 -2.14 -0.10 0.00 0.00 175.22 174.13 1gkq s PRO 53 N -4.03 3.43 0.28 0.24 0.02 -1.26 -1.56 135.00 132.11 1gkq s PRO 53 Ca 0.41 1.11 -0.30 0.00 0.02 0.00 0.00 61.00 62.23 1gkq s PRO 53 Cb -0.08 -2.05 -0.12 0.00 0.02 0.00 0.00 34.50 32.27 1gkq s PRO 53 CO 0.28 -0.71 1.56 0.41 -0.33 0.00 0.00 177.00 178.20 1gkq n GLY 54 N -1.27 1.21 3.81 0.52 0.00 -0.39 -4.59 105.19 104.47 1gkq n GLY 54 Ca 0.08 0.48 -0.33 0.00 0.00 0.00 0.00 46.02 46.25 1gkq n GLY 54 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gkq s PHE 55 N 0.03 3.17 -0.10 1.61 0.08 -0.96 -4.56 117.98 117.24 1gkq s PHE 55 Ca 0.66 1.56 0.03 0.00 0.12 0.00 0.00 56.93 59.29 1gkq s PHE 55 Cb -0.53 -2.95 0.01 0.00 -0.57 0.00 0.00 43.02 38.98 1gkq s PHE 55 CO 0.48 -0.58 -0.19 0.42 -0.10 0.00 0.00 175.22 175.25 1gkq s ILE 56 N -2.22 1.71 -0.40 0.64 1.01 -0.62 -1.11 121.20 120.21 1gkq s ILE 56 Ca 0.64 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 60.39 1gkq s ILE 56 Cb -0.13 -1.52 0.05 0.00 0.01 0.00 0.00 42.46 40.87 1gkq s ILE 56 CO 0.22 0.48 0.24 -0.62 0.00 0.00 0.00 174.94 175.27 1gkq s ASP 57 N 0.69 5.75 0.00 3.58 -1.08 -0.79 -4.47 116.67 120.35 1gkq s ASP 57 Ca -0.12 -1.21 0.13 0.00 -0.52 0.00 0.00 52.55 50.83 1gkq s ASP 57 Cb -0.16 -2.03 0.77 0.00 -1.46 0.00 0.00 42.92 40.04 1gkq s ASP 57 CO 0.03 -0.47 1.49 -0.81 0.52 0.00 0.00 175.17 175.93 1gkq n PRO 58 N 4.99 0.99 -3.31 4.34 -0.04 -1.26 -0.89 135.00 139.82 1gkq n PRO 58 Ca -0.11 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.24 1gkq n PRO 58 Cb 0.45 -1.21 -0.05 0.00 -0.04 0.00 0.00 33.50 32.65 1gkq n PRO 58 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1gkq s HIS 59 N -2.00 -0.80 0.15 0.54 5.04 -1.23 -4.64 115.29 112.35 1gkq s HIS 59 Ca 0.19 -0.37 0.02 0.00 -1.54 0.00 0.00 55.06 53.36 1gkq s HIS 59 Cb 0.09 -0.16 -0.04 0.00 0.04 0.00 0.00 32.58 32.50 1gkq s HIS 59 CO 0.15 -1.03 -0.03 0.14 -2.34 0.00 0.00 174.74 171.62 1gkq s VAL 60 N 1.68 0.76 -0.21 0.89 -7.23 -0.87 -0.22 120.40 115.20 1gkq s VAL 60 Ca 0.16 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.35 1gkq s VAL 60 Cb -0.12 -1.95 0.05 0.00 0.56 0.00 0.00 36.38 34.93 1gkq s VAL 60 CO -0.07 -0.64 -0.05 -1.00 -0.31 0.00 0.00 175.10 173.03 1gkq s HIS 61 N -3.59 2.06 0.00 2.82 3.76 -0.12 -1.86 115.29 118.36 1gkq s HIS 61 Ca 0.19 -1.47 0.00 0.00 -0.15 0.00 0.00 55.06 53.63 1gkq s HIS 61 Cb 0.05 -1.45 0.00 0.00 1.11 0.00 0.00 32.58 32.29 1gkq s HIS 61 CO 0.01 -0.71 0.00 -0.89 -0.85 0.00 0.00 174.74 172.29 1gkq n ILE 62 N 4.77 0.00 -3.05 0.60 2.08 -1.26 -4.57 119.36 117.93 1gkq n ILE 62 Ca -0.12 0.41 -0.41 0.00 0.56 0.00 0.00 62.75 63.18 1gkq n ILE 62 Cb 0.46 -1.40 -0.06 0.00 -0.75 0.00 0.00 39.64 37.88 1gkq n ILE 62 CO 0.00 0.00 0.00 -0.47 0.56 0.00 0.00 176.55 176.64 1gkq s TYR 63 N -0.87 3.20 -0.26 1.39 5.04 -1.26 -4.45 117.35 120.14 1gkq s TYR 63 Ca 0.00 0.63 -0.02 0.00 -2.44 0.00 0.00 57.07 55.24 1gkq s TYR 63 Cb 0.00 -3.10 0.14 0.00 0.35 0.00 0.00 41.96 39.35 1gkq s TYR 63 CO 0.00 -0.53 0.38 -1.17 -1.34 0.00 0.00 175.55 172.89 1gkq s LEU 64 N 2.75 -0.65 -0.52 6.97 2.96 -1.26 -4.81 118.68 124.12 1gkq s LEU 64 Ca 0.28 0.05 -0.24 0.00 -0.22 0.00 0.00 54.13 53.99 1gkq s LEU 64 Cb -0.15 1.09 0.04 0.00 0.50 0.00 0.00 46.19 47.67 1gkq s LEU 64 CO 0.13 -0.32 0.92 -2.84 -1.32 0.00 0.00 176.35 172.92 1gkq s PRO 65 N 2.54 3.38 -0.09 0.98 0.02 -1.26 -1.70 135.00 138.87 1gkq s PRO 65 Ca 0.12 -0.16 -0.12 0.00 0.02 0.00 0.00 61.00 60.86 1gkq s PRO 65 Cb -0.15 -4.01 0.03 0.00 0.02 0.00 0.00 34.50 30.39 1gkq s PRO 65 CO -0.20 -1.39 0.32 0.12 -0.33 0.00 0.00 177.00 175.53 1gkq s PHE 66 N 3.82 -0.31 -1.25 6.54 5.36 0.13 -4.94 117.98 127.33 1gkq s PHE 66 Ca 0.32 0.71 -0.20 0.00 -0.96 0.00 0.00 56.93 56.80 1gkq s PHE 66 Cb -0.12 0.11 0.01 0.00 -0.34 0.00 0.00 43.02 42.69 1gkq s PHE 66 CO 0.21 -0.23 0.61 -1.33 -1.46 0.00 0.00 175.22 173.02 1gkq n MET 67 N 2.45 -1.21 -0.96 10.12 2.81 -1.26 -1.45 117.12 127.61 1gkq n MET 67 Ca -0.15 0.28 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 1gkq n MET 67 Cb 0.57 -3.58 0.00 0.00 -0.71 0.00 0.00 33.22 29.51 1gkq n MET 67 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1gkq n ALA 68 N -4.57 0.00 -3.00 3.04 0.00 -1.26 -4.78 120.51 109.93 1gkq n ALA 68 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1gkq n ALA 68 Cb 0.61 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.19 1gkq n ALA 68 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1gkq n THR 69 N -2.35 0.00 -4.81 0.00 5.66 -0.53 -5.18 114.28 107.07 1gkq n THR 69 Ca 0.00 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.75 1gkq n THR 69 Cb 0.27 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 68.89 1gkq n THR 69 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1gkq s PHE 70 N -5.05 1.54 0.50 1.09 0.40 -1.26 0.19 117.98 115.38 1gkq s PHE 70 Ca 0.00 -0.30 -0.23 0.00 -0.60 0.00 0.00 56.93 55.79 1gkq s PHE 70 Cb 0.00 -0.99 -0.07 0.00 0.51 0.00 0.00 43.02 42.47 1gkq s PHE 70 CO 0.00 -0.04 1.39 0.00 0.70 0.00 0.00 175.22 177.27 1gkq s ALA 71 N -0.37 3.03 0.24 5.36 0.00 -0.69 -4.95 121.76 124.38 1gkq s ALA 71 Ca 0.06 1.39 0.03 0.00 0.00 0.00 0.00 51.96 53.43 1gkq s ALA 71 Cb -0.07 -3.57 0.29 0.00 0.00 0.00 0.00 23.12 19.76 1gkq s ALA 71 CO -0.00 -1.27 1.60 0.87 0.00 0.00 0.00 175.76 176.96 1gkq h LYS 72 N 1.90 0.36 -7.26 0.00 1.79 -1.35 -3.44 116.57 108.57 1gkq h LYS 72 Ca -0.51 -0.20 -0.49 0.00 -2.18 0.00 0.00 60.65 57.27 1gkq h LYS 72 Cb 1.28 0.01 0.06 0.00 -1.58 0.00 0.00 32.23 32.00 1gkq h LYS 72 CO 0.59 0.77 0.38 -0.51 -1.08 0.00 0.00 179.45 179.61 1gkq s ASP 73 N -6.88 6.01 0.37 0.86 1.01 -1.26 -4.79 116.67 111.98 1gkq s ASP 73 Ca -0.05 1.63 0.08 0.00 0.71 0.00 0.00 52.55 54.92 1gkq s ASP 73 Cb 0.12 -2.51 -0.06 0.00 1.01 0.00 0.00 42.92 41.49 1gkq s ASP 73 CO 0.80 -1.02 0.05 0.42 0.21 0.00 0.00 175.17 175.63 1gkq s THR 74 N -2.77 2.40 0.58 -1.27 -4.23 -1.26 -4.50 115.64 104.60 1gkq s THR 74 Ca 0.59 -1.92 0.43 0.00 -1.18 0.00 0.00 61.69 59.61 1gkq s THR 74 Cb -0.13 -2.88 0.44 0.00 1.34 0.00 0.00 72.50 71.28 1gkq s THR 74 CO 0.43 -0.11 2.32 0.45 -0.54 0.00 0.00 174.62 177.16 1gkq h HIS 75 N 1.72 0.00 0.04 3.99 3.86 -1.85 0.48 115.15 123.39 1gkq h HIS 75 Ca -0.43 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.78 1gkq h HIS 75 Cb 1.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.72 1gkq h HIS 75 CO 0.69 0.00 -0.02 1.49 0.86 0.00 0.00 177.93 180.95 1gkq h GLU 76 N 0.00 -0.05 -0.13 2.45 4.81 -1.89 -2.51 114.58 117.26 1gkq h GLU 76 Ca 0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.12 1gkq h GLU 76 Cb 0.07 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1gkq h GLU 76 CO 0.00 0.39 -0.43 1.79 -0.73 0.00 0.00 179.01 180.03 1gkq h THR 77 N -0.98 1.32 0.05 0.32 1.35 -1.78 -2.67 112.91 110.51 1gkq h THR 77 Ca -0.01 -1.58 -0.00 0.00 -0.55 0.00 0.00 66.41 64.27 1gkq h THR 77 Cb 0.46 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1gkq h THR 77 CO 0.01 0.48 -0.02 1.23 -0.25 0.00 0.00 175.52 176.96 1gkq h GLY 78 N 1.21 -0.07 1.84 5.82 0.00 -0.18 -1.99 103.07 109.71 1gkq h GLY 78 Ca 0.02 0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 1gkq h GLY 78 CO 0.07 -0.03 -0.13 1.48 0.00 0.00 0.00 176.54 177.94 1gkq h SER 79 N -0.47 0.18 -0.10 0.19 4.64 -1.49 -1.07 113.55 115.44 1gkq h SER 79 Ca -0.01 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 1gkq h SER 79 Cb 0.42 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1gkq h SER 79 CO 0.01 0.34 -0.02 0.50 -0.87 0.00 0.00 176.83 176.79 1gkq h LYS 80 N 0.19 0.19 -0.81 4.77 3.64 -1.44 -1.56 116.57 121.54 1gkq h LYS 80 Ca 0.04 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1gkq h LYS 80 Cb 0.35 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 1gkq h LYS 80 CO 0.02 0.50 0.48 0.00 -2.27 0.00 0.00 179.45 178.18 1gkq h ALA 81 N 0.68 1.32 0.32 5.00 0.00 -1.05 -1.35 119.26 124.18 1gkq h ALA 81 Ca 0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1gkq h ALA 81 Cb 0.43 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1gkq h ALA 81 CO 0.01 0.58 -0.16 0.00 0.00 0.00 0.00 179.25 179.68 1gkq h ALA 82 N 1.41 -0.43 -0.57 0.00 0.00 -1.04 -2.39 119.26 116.24 1gkq h ALA 82 Ca 0.29 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1gkq h ALA 82 Cb -0.04 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1gkq h ALA 82 CO -0.05 -0.74 0.30 -0.07 0.00 0.00 0.00 179.25 178.68 1gkq h LEU 83 N -0.43 0.43 -1.96 0.00 3.38 -0.93 -0.09 115.31 115.71 1gkq h LEU 83 Ca -0.04 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.03 1gkq h LEU 83 Cb 0.33 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1gkq h LEU 83 CO 0.07 0.29 0.21 0.24 0.09 0.00 0.00 178.44 179.34 1gkq h MET 84 N 0.57 0.04 -0.01 1.13 2.86 -1.09 -0.37 114.93 118.06 1gkq h MET 84 Ca 0.25 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1gkq h MET 84 Cb 0.15 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1gkq h MET 84 CO -0.17 0.03 -0.21 0.41 1.06 0.00 0.00 176.91 178.03 1gkq n GLY 85 N -1.58 -0.68 0.00 8.32 0.00 -0.19 -4.63 105.19 106.43 1gkq n GLY 85 Ca 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1gkq n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gkq n GLY 86 N 1.32 0.52 3.59 -0.02 0.00 -0.15 -4.51 105.19 105.95 1gkq n GLY 86 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1gkq n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gkq s THR 87 N -2.00 5.01 -0.92 2.61 2.01 -0.36 -2.27 115.64 119.73 1gkq s THR 87 Ca 0.00 0.68 0.20 0.00 0.31 0.00 0.00 61.69 62.88 1gkq s THR 87 Cb 0.00 -3.93 -0.23 0.00 0.01 0.00 0.00 72.50 68.36 1gkq s THR 87 CO 0.00 -0.09 0.85 0.35 -0.69 0.00 0.00 174.62 175.04 1gkq n THR 88 N 5.33 0.00 -3.79 -0.82 -2.24 -0.27 -2.77 114.28 109.73 1gkq n THR 88 Ca -0.03 -0.04 -0.13 0.00 -2.27 0.00 0.00 64.05 61.58 1gkq n THR 88 Cb 0.49 0.94 -0.13 0.00 -2.10 0.00 0.00 70.33 69.53 1gkq n THR 88 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1gkq s THR 89 N -2.97 -0.02 0.05 4.28 2.01 -1.15 -3.38 115.64 114.46 1gkq s THR 89 Ca 0.07 0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.18 1gkq s THR 89 Cb 0.15 -0.25 -0.02 0.00 0.01 0.00 0.00 72.50 72.39 1gkq s THR 89 CO 0.85 0.03 -0.10 -0.72 -0.69 0.00 0.00 174.62 173.99 1gkq s TYR 90 N 0.57 0.86 -0.22 4.92 1.13 -1.20 -1.88 117.35 121.52 1gkq s TYR 90 Ca -0.04 -0.47 -0.03 0.00 -1.41 0.00 0.00 57.07 55.13 1gkq s TYR 90 Cb -0.05 -0.50 0.00 0.00 -1.10 0.00 0.00 41.96 40.31 1gkq s TYR 90 CO -0.03 -0.03 -0.08 0.42 -2.51 0.00 0.00 175.55 173.32 1gkq s ILE 91 N -1.28 3.03 0.04 -3.49 1.01 -0.07 -2.49 121.20 117.95 1gkq s ILE 91 Ca -0.07 -0.68 -0.07 0.00 0.00 0.00 0.00 60.65 59.84 1gkq s ILE 91 Cb -0.10 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 39.93 1gkq s ILE 91 CO 0.01 0.40 0.30 -0.70 0.00 0.00 0.00 174.94 174.96 1gkq s GLU 92 N 1.42 3.62 -0.43 2.79 2.12 -0.34 -2.05 118.70 125.82 1gkq s GLU 92 Ca 0.05 -0.04 -0.27 0.00 0.36 0.00 0.00 54.97 55.07 1gkq s GLU 92 Cb -0.14 -3.04 0.02 0.00 0.26 0.00 0.00 34.13 31.23 1gkq s GLU 92 CO -0.05 0.61 0.99 -1.64 -0.54 0.00 0.00 175.26 174.63 1gkq s MET 93 N -1.92 3.70 -0.50 4.30 -1.94 -0.78 -1.21 119.30 120.97 1gkq s MET 93 Ca 0.30 0.44 -0.28 0.00 -1.71 0.00 0.00 55.69 54.44 1gkq s MET 93 Cb -0.13 -3.88 0.03 0.00 2.01 0.00 0.00 34.83 32.86 1gkq s MET 93 CO 0.18 -1.17 1.10 0.00 -0.01 0.00 0.00 175.02 175.11 1gkq s PRO 96 N -2.95 4.30 0.95 0.00 0.04 -1.26 -4.91 135.00 131.17 1gkq s PRO 96 Ca 0.41 1.69 -0.16 0.00 0.04 0.00 0.00 61.00 62.97 1gkq s PRO 96 Cb 0.17 -2.79 0.22 0.00 0.04 0.00 0.00 34.50 32.14 1gkq s PRO 96 CO -0.03 -0.06 1.22 -1.13 0.04 0.00 0.00 177.00 177.03 1gkq n SER 97 N 0.39 -0.19 0.16 6.66 3.41 -1.26 -4.58 113.62 118.20 1gkq n SER 97 Ca 0.03 -1.41 0.08 0.00 -0.26 0.00 0.00 58.87 57.31 1gkq n SER 97 Cb 0.47 -0.95 0.58 0.00 -0.26 0.00 0.00 64.21 64.05 1gkq n SER 97 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1gkq h ARG 98 N 0.00 0.16 -0.00 4.33 2.43 -1.25 -2.03 114.38 118.01 1gkq h ARG 98 Ca -0.40 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 1gkq h ARG 98 Cb 1.12 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1gkq h ARG 98 CO 0.28 0.11 -0.11 0.09 -1.51 0.00 0.00 179.97 178.82 1gkq n ASN 99 N -4.51 0.55 -4.96 -3.80 3.02 -1.26 -4.88 115.26 99.42 1gkq n ASN 99 Ca 0.00 -0.67 -0.23 0.00 -0.03 0.00 0.00 54.58 53.66 1gkq n ASN 99 Cb 0.13 -0.05 -0.02 0.00 -0.61 0.00 0.00 39.78 39.24 1gkq n ASN 99 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1gkq s ASP 100 N -2.43 6.32 -0.14 6.41 1.01 -0.76 -5.06 116.67 122.01 1gkq s ASP 100 Ca 0.30 0.23 -0.25 0.00 0.71 0.00 0.00 52.55 53.53 1gkq s ASP 100 Cb 0.20 -1.93 -0.02 0.00 1.01 0.00 0.00 42.92 42.18 1gkq s ASP 100 CO 0.47 -0.14 0.81 -0.62 0.21 0.00 0.00 175.17 175.90 1gkq s ASP 101 N -3.91 6.98 0.12 0.27 2.15 -1.26 -4.84 116.67 116.18 1gkq s ASP 101 Ca 0.36 1.20 -0.21 0.00 0.43 0.00 0.00 52.55 54.33 1gkq s ASP 101 Cb -0.09 -2.45 -0.05 0.00 -0.30 0.00 0.00 42.92 40.03 1gkq s ASP 101 CO 0.31 -0.34 1.70 0.00 -0.17 0.00 0.00 175.17 176.68 1gkq h ALA 102 N 7.20 0.04 -0.92 3.66 0.00 -1.96 0.18 119.26 127.46 1gkq h ALA 102 Ca -0.32 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1gkq h ALA 102 Cb 1.15 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 1gkq h ALA 102 CO 0.81 -0.52 0.60 1.25 0.00 0.00 0.00 179.25 181.40 1gkq h LEU 103 N -0.07 1.03 -0.55 0.00 5.85 -1.93 0.58 115.31 120.23 1gkq h LEU 103 Ca 0.08 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1gkq h LEU 103 Cb 0.18 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1gkq h LEU 103 CO -0.18 0.73 0.12 -0.33 -0.34 0.00 0.00 178.44 178.44 1gkq h GLU 104 N 1.21 0.90 -0.40 1.25 5.08 -1.90 -1.73 114.58 119.00 1gkq h GLU 104 Ca 0.35 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1gkq h GLU 104 Cb -0.09 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1gkq h GLU 104 CO -0.09 0.85 0.26 0.78 -1.00 0.00 0.00 179.01 179.81 1gkq h GLY 105 N 0.79 0.57 0.79 -3.84 0.00 -0.14 0.09 103.07 101.33 1gkq h GLY 105 Ca 0.17 -0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.31 1gkq h GLY 105 CO 0.00 0.21 -0.01 -1.82 0.00 0.00 0.00 176.54 174.93 1gkq h TYR 106 N 0.54 -0.03 -0.07 5.60 3.20 -0.73 -1.94 116.97 123.54 1gkq h TYR 106 Ca 0.15 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 1gkq h TYR 106 Cb -0.05 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1gkq h TYR 106 CO -0.05 -0.03 -0.11 1.96 -1.64 0.00 0.00 178.16 178.29 1gkq h GLN 107 N 0.03 0.11 0.17 1.82 4.20 -0.97 0.41 115.11 120.87 1gkq h GLN 107 Ca 0.06 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1gkq h GLN 107 Cb 0.08 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1gkq h GLN 107 CO -0.11 0.23 -0.08 1.25 -0.67 0.00 0.00 178.83 179.45 1gkq h LEU 108 N 0.11 -0.19 -0.58 1.46 5.85 -0.42 -0.93 115.31 120.61 1gkq h LEU 108 Ca 0.02 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.52 1gkq h LEU 108 Cb 0.27 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1gkq h LEU 108 CO 0.02 0.15 0.37 -0.50 -0.34 0.00 0.00 178.44 178.14 1gkq h TRP 109 N -0.54 0.70 -0.70 1.25 6.55 -1.11 -1.60 115.95 120.50 1gkq h TRP 109 Ca -0.02 0.02 0.02 0.00 0.95 0.00 0.00 58.89 59.86 1gkq h TRP 109 Cb 0.42 -0.23 -0.04 0.00 -0.86 0.00 0.00 29.16 28.44 1gkq h TRP 109 CO 0.03 0.42 0.45 -0.22 -1.05 0.00 0.00 178.44 178.06 1gkq h LYS 110 N 0.74 0.86 0.00 0.49 3.64 -0.86 -2.68 116.57 118.76 1gkq h LYS 110 Ca 0.22 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.42 1gkq h LYS 110 Cb -0.03 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 1gkq h LYS 110 CO -0.07 0.57 -0.63 0.66 -2.27 0.00 0.00 179.45 177.71 1gkq h SER 111 N 0.89 0.00 0.72 4.20 4.64 -0.87 -2.78 113.55 120.34 1gkq h SER 111 Ca 0.27 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.55 1gkq h SER 111 Cb -0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1gkq h SER 111 CO -0.09 0.63 -0.20 0.11 -0.87 0.00 0.00 176.83 176.41 1gkq h LYS 112 N 0.00 0.00 0.07 4.77 1.57 -1.00 -3.18 116.57 118.80 1gkq h LYS 112 Ca -0.01 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 1gkq h LYS 112 Cb 1.33 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.61 1gkq h LYS 112 CO 0.08 0.20 -1.76 0.00 -0.57 0.00 0.00 179.45 177.41 1gkq h ALA 113 N 1.80 0.55 -2.00 3.86 0.00 -1.37 -3.43 119.26 118.66 1gkq h ALA 113 Ca -0.00 -1.36 -0.63 0.00 0.00 0.00 0.00 54.91 52.92 1gkq h ALA 113 Cb 0.61 0.51 0.05 0.00 0.00 0.00 0.00 17.79 18.96 1gkq h ALA 113 CO 0.03 1.40 0.73 0.39 0.00 0.00 0.00 179.25 181.79 1gkq n GLU 114 N -3.29 1.76 -0.87 0.00 1.02 -1.06 -1.04 120.64 117.16 1gkq n GLU 114 Ca -0.22 0.64 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 1gkq n GLU 114 Cb 1.05 -2.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 1gkq n GLU 114 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1gkq n GLY 115 N 3.30 0.16 0.11 0.62 0.00 -1.26 -4.78 105.19 103.33 1gkq n GLY 115 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.23 1gkq n GLY 115 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gkq n ASN 116 N -0.50 0.94 -4.65 1.61 3.02 -0.21 -3.20 115.26 112.27 1gkq n ASN 116 Ca 0.00 -0.97 -0.35 0.00 -0.03 0.00 0.00 54.58 53.23 1gkq n ASN 116 Cb 0.25 0.33 -0.10 0.00 -0.61 0.00 0.00 39.78 39.65 1gkq n ASN 116 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1gkq s SER 117 N -0.66 5.44 0.44 6.41 0.15 -1.18 -2.78 113.70 121.52 1gkq s SER 117 Ca 0.03 0.11 0.24 0.00 0.70 0.00 0.00 55.95 57.04 1gkq s SER 117 Cb 0.03 -1.78 0.54 0.00 -1.71 0.00 0.00 66.02 63.10 1gkq s SER 117 CO 0.08 0.27 1.68 1.88 1.20 0.00 0.00 173.24 178.34 1gkq h TYR 118 N 6.00 0.00 -3.52 3.44 0.05 -1.83 0.18 116.97 121.30 1gkq h TYR 118 Ca -0.42 0.00 -0.35 0.00 0.05 0.00 0.00 58.73 58.00 1gkq h TYR 118 Cb 1.19 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 38.78 1gkq h TYR 118 CO 0.60 0.07 -0.64 0.00 -1.05 0.00 0.00 178.16 177.14 1gkq s ASP 120 N -3.28 3.91 0.30 0.00 1.01 -1.22 -4.19 116.67 113.19 1gkq s ASP 120 Ca 0.30 1.91 -0.19 0.00 0.71 0.00 0.00 52.55 55.28 1gkq s ASP 120 Cb 0.06 -2.51 0.05 0.00 1.01 0.00 0.00 42.92 41.53 1gkq s ASP 120 CO 0.09 -2.43 0.83 -0.72 0.21 0.00 0.00 175.17 173.15 1gkq s TYR 121 N -2.82 -0.00 0.31 4.23 1.13 -0.64 -3.24 117.35 116.31 1gkq s TYR 121 Ca 0.63 -0.53 -0.18 0.00 -1.41 0.00 0.00 57.07 55.59 1gkq s TYR 121 Cb -0.19 0.76 0.07 0.00 -1.10 0.00 0.00 41.96 41.50 1gkq s TYR 121 CO 0.57 -1.29 0.90 -2.37 -2.51 0.00 0.00 175.55 170.85 1gkq n THR 122 N -0.53 0.00 -4.32 -3.49 5.66 -1.04 -0.11 114.28 110.45 1gkq n THR 122 Ca -0.06 -0.81 -0.17 0.00 -3.05 0.00 0.00 64.05 59.96 1gkq n THR 122 Cb 0.60 0.90 -0.10 0.00 -1.55 0.00 0.00 70.33 70.18 1gkq n THR 122 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1gkq s PHE 123 N -2.11 1.55 -0.17 1.09 0.08 -1.26 -1.20 117.98 115.96 1gkq s PHE 123 Ca 0.19 -0.77 -0.02 0.00 0.12 0.00 0.00 56.93 56.45 1gkq s PHE 123 Cb -0.04 -0.83 -0.01 0.00 -0.57 0.00 0.00 43.02 41.57 1gkq s PHE 123 CO 0.09 0.13 -0.07 -1.01 -0.10 0.00 0.00 175.22 174.26 1gkq s HIS 124 N -3.24 2.92 -0.38 0.36 3.76 -0.35 -4.62 115.29 113.74 1gkq s HIS 124 Ca 0.24 -0.70 -0.22 0.00 -0.15 0.00 0.00 55.06 54.22 1gkq s HIS 124 Cb 0.03 -1.98 0.01 0.00 1.11 0.00 0.00 32.58 31.75 1gkq s HIS 124 CO 0.06 -0.32 0.73 1.41 -0.85 0.00 0.00 174.74 175.78 1gkq s MET 125 N 0.84 3.63 0.25 1.40 1.75 -0.05 -0.86 119.30 126.26 1gkq s MET 125 Ca -0.02 0.11 -0.30 0.00 -1.25 0.00 0.00 55.69 54.23 1gkq s MET 125 Cb -0.15 -3.84 -0.09 0.00 2.84 0.00 0.00 34.83 33.59 1gkq s MET 125 CO 0.01 -0.88 1.17 0.00 -0.65 0.00 0.00 175.02 174.67 1gkq s ALA 126 N 3.01 3.43 -0.49 4.11 0.00 -0.56 -4.27 121.76 126.99 1gkq s ALA 126 Ca 0.29 0.97 0.02 0.00 0.00 0.00 0.00 51.96 53.24 1gkq s ALA 126 Cb -0.13 -3.39 0.13 0.00 0.00 0.00 0.00 23.12 19.73 1gkq s ALA 126 CO 0.18 -0.32 0.25 0.08 0.00 0.00 0.00 175.76 175.95 1gkq s VAL 127 N -0.70 2.88 -0.93 0.00 1.01 -1.26 -4.77 120.40 116.63 1gkq s VAL 127 Ca 0.49 -2.89 0.13 0.00 0.00 0.00 0.00 61.98 59.71 1gkq s VAL 127 Cb -0.33 -2.98 0.59 0.00 0.00 0.00 0.00 36.38 33.65 1gkq s VAL 127 CO 0.41 -0.76 1.44 -1.54 0.00 0.00 0.00 175.10 174.64 1gkq n SER 128 N 3.61 4.10 -3.65 3.32 3.41 -1.26 -4.66 113.62 118.49 1gkq n SER 128 Ca 0.05 -2.48 -0.02 0.00 -0.26 0.00 0.00 58.87 56.15 1gkq n SER 128 Cb 0.37 -0.56 -0.02 0.00 -0.26 0.00 0.00 64.21 63.74 1gkq n SER 128 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1gkq s LYS 129 N -1.99 0.02 -0.04 4.33 -2.85 -1.26 -4.36 119.74 113.58 1gkq s LYS 129 Ca 0.40 -0.01 -0.01 0.00 -1.00 0.00 0.00 55.97 55.35 1gkq s LYS 129 Cb 0.28 0.01 0.03 0.00 -2.06 0.00 0.00 37.83 36.09 1gkq s LYS 129 CO 0.16 -0.01 0.08 0.12 0.10 0.00 0.00 175.35 175.81 1gkq s PHE 130 N -1.94 -0.05 0.25 1.78 2.19 -1.26 -5.00 117.98 113.95 1gkq s PHE 130 Ca 0.12 0.29 -0.21 0.00 0.33 0.00 0.00 56.93 57.45 1gkq s PHE 130 Cb -0.01 -0.19 0.05 0.00 -1.31 0.00 0.00 43.02 41.55 1gkq s PHE 130 CO -0.03 -0.13 0.84 0.16 1.83 0.00 0.00 175.22 177.89 1gkq s ASP 131 N 1.22 -0.16 0.19 6.13 1.47 -1.26 -4.98 116.67 119.27 1gkq s ASP 131 Ca -0.08 -0.64 -0.15 0.00 1.18 0.00 0.00 52.55 52.86 1gkq s ASP 131 Cb -0.12 0.65 0.18 0.00 -0.34 0.00 0.00 42.92 43.28 1gkq s ASP 131 CO -0.04 -1.23 1.65 -0.33 0.68 0.00 0.00 175.17 175.89 1gkq h GLU 132 N 2.00 0.00 -0.27 2.11 3.07 -2.00 -0.02 114.58 119.47 1gkq h GLU 132 Ca -0.24 -0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.68 1gkq h GLU 132 Cb 1.24 -0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.10 1gkq h GLU 132 CO 0.28 0.00 -0.07 -0.22 -1.40 0.00 0.00 179.01 177.60 1gkq h LYS 133 N 0.00 -0.00 -0.65 2.33 3.64 -2.00 -2.55 116.57 117.33 1gkq h LYS 133 Ca 0.26 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.58 1gkq h LYS 133 Cb 0.39 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 1gkq h LYS 133 CO -0.54 -0.00 0.17 1.15 -2.27 0.00 0.00 179.45 177.96 1gkq h THR 134 N -0.00 1.25 -0.49 1.00 2.02 -1.70 -2.73 112.91 112.26 1gkq h THR 134 Ca 0.13 -0.91 0.07 0.00 0.77 0.00 0.00 66.41 66.46 1gkq h THR 134 Cb 0.20 0.61 -0.06 0.00 -1.74 0.00 0.00 68.15 67.16 1gkq h THR 134 CO -0.28 0.35 0.17 -0.08 0.37 0.00 0.00 175.52 176.05 1gkq h GLU 135 N 0.96 0.34 -0.86 6.66 4.81 -0.68 0.11 114.58 125.92 1gkq h GLU 135 Ca 0.21 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1gkq h GLU 135 Cb 0.34 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 1gkq h GLU 135 CO -0.00 0.23 0.54 0.78 -0.73 0.00 0.00 179.01 179.83 1gkq h GLY 136 N 0.35 1.22 1.67 1.92 0.00 -1.28 -1.81 103.07 105.13 1gkq h GLY 136 Ca 0.23 -0.48 -0.16 0.00 0.00 0.00 0.00 47.33 46.92 1gkq h GLY 136 CO -0.24 0.47 -0.63 1.46 0.00 0.00 0.00 176.54 177.60 1gkq h GLN 137 N 1.17 0.34 -0.52 4.80 4.20 -1.01 -2.91 115.11 121.17 1gkq h GLN 137 Ca 0.31 -0.24 -0.09 0.00 0.06 0.00 0.00 58.65 58.69 1gkq h GLN 137 Cb -0.09 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1gkq h GLN 137 CO -0.06 0.86 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.85 1gkq h LEU 138 N 0.24 0.90 -1.25 1.46 3.38 -0.26 -0.22 115.31 119.55 1gkq h LEU 138 Ca -0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1gkq h LEU 138 Cb 1.16 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1gkq h LEU 138 CO 0.10 0.98 0.25 0.03 0.09 0.00 0.00 178.44 179.89 1gkq h ARG 139 N 0.84 0.77 -0.20 1.13 3.08 -1.26 -0.10 114.38 118.63 1gkq h ARG 139 Ca 0.15 -0.10 -0.11 0.00 0.07 0.00 0.00 59.98 59.99 1gkq h ARG 139 Cb 0.55 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 1gkq h ARG 139 CO 0.03 0.61 -0.32 1.49 -1.07 0.00 0.00 179.97 180.70 1gkq h GLU 140 N 0.76 0.57 -0.72 0.04 4.81 -1.21 -1.83 114.58 117.00 1gkq h GLU 140 Ca 0.19 -0.35 -0.06 0.00 -0.13 0.00 0.00 59.36 59.01 1gkq h GLU 140 Cb 0.10 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1gkq h GLU 140 CO -0.02 0.95 0.22 0.82 -0.73 0.00 0.00 179.01 180.25 1gkq h ILE 141 N 0.24 1.26 -0.38 2.32 2.04 -0.64 -1.96 117.51 120.39 1gkq h ILE 141 Ca 0.02 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 64.93 1gkq h ILE 141 Cb 0.91 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1gkq h ILE 141 CO 0.07 0.36 0.12 0.58 0.00 0.00 0.00 178.15 179.28 1gkq h VAL 142 N 1.07 1.21 0.00 1.67 2.07 -1.02 -1.93 116.25 119.33 1gkq h VAL 142 Ca 0.23 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 1gkq h VAL 142 Cb 0.32 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1gkq h VAL 142 CO -0.01 0.24 -0.00 0.00 0.02 0.00 0.00 177.57 177.82 1gkq h ALA 143 N 0.96 1.05 -0.16 1.67 0.00 -0.96 0.92 119.26 122.75 1gkq h ALA 143 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1gkq h ALA 143 Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1gkq h ALA 143 CO -0.00 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 175.78 1gkq n ASP 144 N -3.16 1.18 0.00 0.00 2.03 -0.73 -4.89 116.55 110.98 1gkq n ASP 144 Ca -0.03 -1.75 0.00 0.00 0.52 0.00 0.00 54.79 53.53 1gkq n ASP 144 Cb 0.08 -0.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 1gkq n ASP 144 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1gkq n GLY 145 N 0.97 0.64 3.50 0.27 0.00 0.31 -4.87 105.19 106.01 1gkq n GLY 145 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1gkq n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gkq s ILE 146 N -2.00 4.83 -0.90 -0.61 -1.09 -1.17 -0.02 121.20 120.24 1gkq s ILE 146 Ca 0.00 -0.01 0.17 0.00 -2.23 0.00 0.00 60.65 58.58 1gkq s ILE 146 Cb 0.00 -4.23 0.72 0.00 -1.58 0.00 0.00 42.46 37.37 1gkq s ILE 146 CO 0.00 -0.65 1.64 -1.54 -1.23 0.00 0.00 174.94 173.16 1gkq n SER 147 N 6.27 4.88 -3.90 3.58 3.41 -1.26 -4.04 113.62 122.54 1gkq n SER 147 Ca -0.03 -2.56 -0.14 0.00 -0.26 0.00 0.00 58.87 55.89 1gkq n SER 147 Cb 0.47 -0.59 -0.14 0.00 -0.26 0.00 0.00 64.21 63.69 1gkq n SER 147 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1gkq s SER 148 N -0.95 0.24 0.00 4.04 1.04 -1.26 -2.43 113.70 114.38 1gkq s SER 148 Ca 0.51 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.90 1gkq s SER 148 Cb 0.34 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1gkq s SER 148 CO 0.22 0.02 0.00 0.49 0.98 0.00 0.00 173.24 174.95 1gkq n PHE 149 N 3.04 0.00 -3.59 5.02 3.72 -0.59 -0.87 117.46 124.20 1gkq n PHE 149 Ca -0.12 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.21 1gkq n PHE 149 Cb 0.59 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.10 1gkq n PHE 149 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1gkq s ILE 151 N 2.96 0.00 -0.10 4.37 -4.36 -0.69 -1.52 121.20 121.86 1gkq s ILE 151 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 60.65 60.42 1gkq s ILE 151 Cb 0.00 -1.00 -0.01 0.00 1.25 0.00 0.00 42.46 42.70 1gkq s ILE 151 CO 0.00 0.00 -0.20 -0.36 0.24 0.00 0.00 174.94 174.62 1gkq s PHE 152 N -1.71 2.62 -0.88 1.37 0.40 -1.26 -1.69 117.98 116.84 1gkq s PHE 152 Ca 0.05 -0.82 0.01 0.00 -0.60 0.00 0.00 56.93 55.57 1gkq s PHE 152 Cb -0.01 -1.73 0.31 0.00 0.51 0.00 0.00 43.02 42.11 1gkq s PHE 152 CO -0.04 -0.29 1.39 1.28 0.70 0.00 0.00 175.22 178.27 1gkq n LEU 153 N 3.35 5.96 0.00 -0.37 4.77 0.28 -2.60 117.00 128.39 1gkq n LEU 153 Ca -0.18 -5.44 0.00 0.00 -0.03 0.00 0.00 56.01 50.36 1gkq n LEU 153 Cb 0.53 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1gkq n LEU 153 CO 0.28 2.05 0.00 -1.54 -1.33 0.00 0.00 177.39 176.85 1gkq n SER 154 N 0.32 0.00 -3.18 -1.43 3.41 -1.26 -1.83 113.62 109.64 1gkq n SER 154 Ca 0.36 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.85 1gkq n SER 154 Cb 0.33 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.33 1gkq n SER 154 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1gkq n TYR 155 N 0.01 -2.52 -1.61 7.33 4.01 -1.26 -1.85 117.16 121.27 1gkq n TYR 155 Ca 0.00 0.89 -0.47 0.00 -0.16 0.00 0.00 57.90 58.16 1gkq n TYR 155 Cb 0.00 -4.09 -0.04 0.00 -0.31 0.00 0.00 39.34 34.90 1gkq n TYR 155 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1gkq n LYS 156 N -2.94 1.49 -0.19 -0.72 4.81 -1.26 -1.72 118.16 117.63 1gkq n LYS 156 Ca -0.06 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 1gkq n LYS 156 Cb 0.60 -2.09 0.00 0.00 0.02 0.00 0.00 35.03 33.56 1gkq n LYS 156 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1gkq n ASN 157 N 2.09 0.00 -0.05 3.14 3.02 -1.26 -4.70 115.26 117.51 1gkq n ASN 157 Ca 0.14 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.58 1gkq n ASN 157 Cb 0.27 -0.85 -0.03 0.00 -0.61 0.00 0.00 39.78 38.56 1gkq n ASN 157 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1gkq n PHE 158 N -2.00 0.00 0.00 3.10 -0.00 -0.93 -4.66 117.46 112.97 1gkq n PHE 158 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1gkq n PHE 158 Cb 0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 39.48 39.11 1gkq n PHE 158 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 1gkq n PHE 159 N -3.60 0.00 -1.78 -5.13 0.99 -0.70 -0.97 117.46 106.27 1gkq n PHE 159 Ca -0.19 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 56.85 1gkq n PHE 159 Cb 0.56 0.00 -0.01 0.00 -1.00 0.00 0.00 39.48 39.04 1gkq n PHE 159 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 1gkq s GLY 160 N -3.01 2.53 0.12 1.37 0.00 -0.73 -4.34 107.32 103.26 1gkq s GLY 160 Ca 0.00 1.58 0.06 0.00 0.00 0.00 0.00 44.72 46.37 1gkq s GLY 160 CO 0.00 2.41 -0.05 -1.34 0.00 0.00 0.00 173.10 174.13 1gkq s VAL 161 N -0.57 3.64 0.81 1.40 -7.23 -1.07 -4.55 120.40 112.83 1gkq s VAL 161 Ca 0.58 -1.23 -0.06 0.00 -1.81 0.00 0.00 61.98 59.46 1gkq s VAL 161 Cb -0.47 -2.75 0.16 0.00 0.56 0.00 0.00 36.38 33.88 1gkq s VAL 161 CO 0.56 0.06 1.11 1.51 -0.31 0.00 0.00 175.10 178.02 1gkq s ASP 162 N -2.43 3.89 0.33 4.85 1.47 -1.26 -4.79 116.67 118.74 1gkq s ASP 162 Ca 0.24 -0.20 0.03 0.00 1.18 0.00 0.00 52.55 53.80 1gkq s ASP 162 Cb -0.11 -0.04 0.64 0.00 -0.34 0.00 0.00 42.92 43.08 1gkq s ASP 162 CO 0.16 -2.18 1.94 0.44 0.68 0.00 0.00 175.17 176.21 1gkq h ASP 163 N -0.91 0.78 -0.42 2.11 5.19 -2.00 0.70 116.42 121.86 1gkq h ASP 163 Ca -0.38 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 55.97 1gkq h ASP 163 Cb 1.25 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.59 1gkq h ASP 163 CO 0.38 0.50 0.04 1.23 -3.12 0.00 0.00 179.24 178.27 1gkq h GLY 164 N 0.88 0.78 1.12 2.75 0.00 -1.99 -0.62 103.07 105.99 1gkq h GLY 164 Ca 0.35 -0.54 -0.15 0.00 0.00 0.00 0.00 47.33 46.98 1gkq h GLY 164 CO -0.12 0.50 -0.33 0.83 0.00 0.00 0.00 176.54 177.42 1gkq h GLU 165 N 0.57 0.96 -0.54 4.80 5.08 -1.77 -2.25 114.58 121.43 1gkq h GLU 165 Ca 0.13 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 1gkq h GLU 165 Cb 0.42 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1gkq h GLU 165 CO 0.01 1.14 0.29 1.98 -1.00 0.00 0.00 179.01 181.43 1gkq h MET 166 N 0.79 0.75 -0.15 2.33 4.05 -0.77 -0.20 114.93 121.73 1gkq h MET 166 Ca 0.08 -0.09 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1gkq h MET 166 Cb 0.92 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.56 1gkq h MET 166 CO 0.09 0.58 0.09 -0.92 0.23 0.00 0.00 176.91 176.98 1gkq h TYR 167 N 0.72 0.17 -0.82 1.39 5.03 -1.00 -1.04 116.97 121.42 1gkq h TYR 167 Ca 0.19 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.47 1gkq h TYR 167 Cb 0.06 -0.05 -0.04 0.00 1.55 0.00 0.00 36.73 38.25 1gkq h TYR 167 CO -0.01 0.10 0.37 1.96 -1.32 0.00 0.00 178.16 179.26 1gkq h GLN 168 N 0.19 1.19 -0.67 1.82 4.20 -1.16 -1.06 115.11 119.62 1gkq h GLN 168 Ca 0.06 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1gkq h GLN 168 Cb -0.01 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.53 1gkq h GLN 168 CO -0.02 0.93 0.38 1.15 -0.67 0.00 0.00 178.83 180.60 1gkq h THR 169 N 1.17 1.20 -0.48 -0.54 2.02 -0.76 -1.41 112.91 114.11 1gkq h THR 169 Ca 0.28 -0.49 -0.12 0.00 0.77 0.00 0.00 66.41 66.85 1gkq h THR 169 Cb 0.15 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1gkq h THR 169 CO -0.03 0.22 -0.17 -0.07 0.37 0.00 0.00 175.52 175.83 1gkq h LEU 170 N 0.91 0.95 -0.63 2.58 4.07 -0.84 -0.31 115.31 122.05 1gkq h LEU 170 Ca 0.24 -0.34 -0.07 0.00 0.08 0.00 0.00 57.88 57.79 1gkq h LEU 170 Cb 0.01 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.47 1gkq h LEU 170 CO -0.04 1.11 0.12 0.03 -1.08 0.00 0.00 178.44 178.57 1gkq h ARG 171 N 0.82 1.03 -0.45 1.13 2.47 -0.93 -1.08 114.38 117.38 1gkq h ARG 171 Ca 0.12 -0.27 -0.04 0.00 -1.26 0.00 0.00 59.98 58.53 1gkq h ARG 171 Cb 0.73 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.91 1gkq h ARG 171 CO 0.06 0.95 0.12 1.25 0.56 0.00 0.00 179.97 182.91 1gkq h LEU 172 N 0.94 0.67 -0.79 3.04 5.85 -1.12 -1.73 115.31 122.17 1gkq h LEU 172 Ca 0.19 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.74 1gkq h LEU 172 Cb 0.41 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 1gkq h LEU 172 CO 0.01 0.71 0.49 0.00 -0.34 0.00 0.00 178.44 179.31 1gkq h ALA 173 N 0.98 1.06 -0.65 1.25 0.00 -0.74 -0.08 119.26 121.09 1gkq h ALA 173 Ca 0.14 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1gkq h ALA 173 Cb 0.30 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1gkq h ALA 173 CO -0.00 0.25 0.18 -0.22 0.00 0.00 0.00 179.25 179.45 1gkq h LYS 174 N 0.92 1.02 -0.55 0.00 3.11 -0.96 0.38 116.57 120.49 1gkq h LYS 174 Ca 0.33 -0.24 -0.05 0.00 -2.81 0.00 0.00 60.65 57.89 1gkq h LYS 174 Cb 0.10 -0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.17 1gkq h LYS 174 CO -0.15 0.91 0.14 1.49 -2.81 0.00 0.00 179.45 179.04 1gkq h GLU 175 N 0.95 0.87 -0.00 1.90 4.81 -0.50 -2.88 114.58 119.72 1gkq h GLU 175 Ca 0.21 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1gkq h GLU 175 Cb 0.33 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1gkq h GLU 175 CO -0.00 0.81 -0.17 1.28 -0.73 0.00 0.00 179.01 180.20 1gkq n LEU 176 N -4.42 0.50 -0.47 1.64 4.77 -0.12 -4.93 117.00 113.98 1gkq n LEU 176 Ca 0.02 0.02 -0.05 0.00 -0.03 0.00 0.00 56.01 55.97 1gkq n LEU 176 Cb 0.22 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 1gkq n LEU 176 CO 0.40 0.10 -0.06 0.61 -1.33 0.00 0.00 177.39 177.11 1gkq n GLY 177 N 1.34 0.57 3.84 -0.72 0.00 0.59 -4.73 105.19 106.08 1gkq n GLY 177 Ca 0.12 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 1gkq n GLY 177 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gkq s VAL 178 N -2.22 4.77 -0.08 1.61 1.01 0.10 -1.12 120.40 124.48 1gkq s VAL 178 Ca 0.00 0.93 -0.12 0.00 0.00 0.00 0.00 61.98 62.79 1gkq s VAL 178 Cb 0.00 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1gkq s VAL 178 CO 0.00 0.17 0.28 -0.51 0.00 0.00 0.00 175.10 175.04 1gkq s ILE 179 N -1.55 5.27 -0.24 2.22 2.07 -1.02 -4.48 121.20 123.47 1gkq s ILE 179 Ca 0.41 0.53 -0.07 0.00 -1.41 0.00 0.00 60.65 60.11 1gkq s ILE 179 Cb -0.15 -3.58 -0.03 0.00 0.13 0.00 0.00 42.46 38.84 1gkq s ILE 179 CO 0.20 0.55 0.08 -0.69 -1.91 0.00 0.00 174.94 173.16 1gkq s VAL 180 N -0.68 4.41 0.18 4.00 1.01 -0.51 -1.54 120.40 127.26 1gkq s VAL 180 Ca 0.19 -0.14 -0.09 0.00 0.00 0.00 0.00 61.98 61.94 1gkq s VAL 180 Cb -0.14 -3.06 -0.07 0.00 0.00 0.00 0.00 36.38 33.12 1gkq s VAL 180 CO 0.08 0.35 0.48 0.42 0.00 0.00 0.00 175.10 176.42 1gkq s THR 181 N 1.49 5.01 -0.09 3.92 -4.23 -0.58 -0.70 115.64 120.46 1gkq s THR 181 Ca 0.06 0.39 -0.08 0.00 -1.18 0.00 0.00 61.69 60.88 1gkq s THR 181 Cb -0.15 -3.64 0.03 0.00 1.34 0.00 0.00 72.50 70.08 1gkq s THR 181 CO 0.04 0.05 0.24 0.00 -0.54 0.00 0.00 174.62 174.41 1gkq s ALA 182 N -1.68 -0.60 -0.36 3.99 0.00 0.17 -1.71 121.76 121.58 1gkq s ALA 182 Ca 0.43 0.73 -0.19 0.00 0.00 0.00 0.00 51.96 52.92 1gkq s ALA 182 Cb -0.12 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.57 1gkq s ALA 182 CO 0.21 -0.13 0.58 -1.58 0.00 0.00 0.00 175.76 174.85 1gkq s HIS 183 N 0.28 3.15 -0.43 0.00 2.46 -0.68 -1.93 115.29 118.14 1gkq s HIS 183 Ca -0.01 0.22 -0.11 0.00 0.47 0.00 0.00 55.06 55.62 1gkq s HIS 183 Cb -0.03 -3.06 0.07 0.00 -0.13 0.00 0.00 32.58 29.43 1gkq s HIS 183 CO -0.01 -0.62 0.29 0.00 -2.47 0.00 0.00 174.74 171.93 1gkq n GLU 185 N 4.99 0.00 -3.43 0.00 1.02 -0.84 -4.41 120.64 117.97 1gkq n GLU 185 Ca -0.11 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.89 1gkq n GLU 185 Cb 0.43 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.75 1gkq n GLU 185 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1gkq s ASN 186 N 1.29 0.99 0.23 1.62 3.84 -0.76 -3.68 114.94 118.47 1gkq s ASN 186 Ca 0.00 -0.12 -0.06 0.00 0.21 0.00 0.00 52.86 52.89 1gkq s ASN 186 Cb 0.00 0.67 0.40 0.00 -0.55 0.00 0.00 41.25 41.78 1gkq s ASN 186 CO 0.00 -0.32 1.73 0.00 -2.79 0.00 0.00 177.10 175.71 1gkq h ALA 187 N 8.26 0.96 0.21 1.71 0.00 -1.85 -1.63 119.26 126.91 1gkq h ALA 187 Ca -0.17 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1gkq h ALA 187 Cb 1.14 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1gkq h ALA 187 CO 0.28 -0.22 -0.10 1.49 0.00 0.00 0.00 179.25 180.70 1gkq h GLU 188 N 0.40 -0.27 -0.82 0.00 4.57 -1.96 -2.35 114.58 114.14 1gkq h GLU 188 Ca 0.38 0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.62 1gkq h GLU 188 Cb 0.56 0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.16 1gkq h GLU 188 CO -0.39 0.07 0.52 -0.07 -1.18 0.00 0.00 179.01 177.95 1gkq h LEU 189 N -0.64 0.85 -0.23 1.64 3.38 -1.94 -0.92 115.31 117.44 1gkq h LEU 189 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1gkq h LEU 189 Cb 0.46 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1gkq h LEU 189 CO 0.05 0.57 0.09 0.58 0.09 0.00 0.00 178.44 179.81 1gkq h VAL 190 N 0.99 1.17 -0.35 1.22 2.07 -1.34 -0.06 116.25 119.95 1gkq h VAL 190 Ca 0.34 -0.54 0.05 0.00 0.82 0.00 0.00 66.70 67.37 1gkq h VAL 190 Cb 0.07 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1gkq h VAL 190 CO -0.13 0.18 0.10 1.23 0.02 0.00 0.00 177.57 178.96 1gkq h GLY 191 N 0.21 0.43 0.89 2.17 0.00 -1.00 0.57 103.07 106.34 1gkq h GLY 191 Ca 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 1gkq h GLY 191 CO -0.01 0.00 0.08 3.21 0.00 0.00 0.00 176.54 179.82 1gkq h ARG 192 N 0.23 0.45 -0.14 4.80 2.47 -1.01 -2.17 114.38 119.00 1gkq h ARG 192 Ca 0.16 -0.10 -0.06 0.00 -1.26 0.00 0.00 59.98 58.72 1gkq h ARG 192 Cb 0.17 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 1gkq h ARG 192 CO -0.19 0.52 -0.17 -0.07 0.56 0.00 0.00 179.97 180.61 1gkq h LEU 193 N 0.29 0.22 -0.07 3.04 3.38 -0.79 -0.98 115.31 120.41 1gkq h LEU 193 Ca 0.09 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1gkq h LEU 193 Cb 0.27 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1gkq h LEU 193 CO -0.00 0.42 -0.00 1.56 0.09 0.00 0.00 178.44 180.50 1gkq h GLN 194 N 0.22 0.12 -0.67 1.13 4.20 -0.66 -2.29 115.11 117.15 1gkq h GLN 194 Ca 0.04 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1gkq h GLN 194 Cb 0.44 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 1gkq h GLN 194 CO 0.03 0.41 0.44 1.96 -0.67 0.00 0.00 178.83 181.00 1gkq h GLN 195 N -0.18 0.88 -0.24 1.46 1.08 -1.11 -1.36 115.11 115.63 1gkq h GLN 195 Ca 0.02 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1gkq h GLN 195 Cb 0.36 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 1gkq h GLN 195 CO 0.00 0.58 0.10 -0.22 -0.95 0.00 0.00 178.83 178.35 1gkq h LYS 196 N 0.90 0.22 -0.47 1.46 3.64 -1.14 -0.45 116.57 120.73 1gkq h LYS 196 Ca 0.25 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.58 1gkq h LYS 196 Cb -0.09 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1gkq h LYS 196 CO -0.06 0.15 0.14 -0.07 -2.27 0.00 0.00 179.45 177.34 1gkq h LEU 197 N 0.23 0.68 -0.33 5.20 3.38 -1.15 -2.56 115.31 120.76 1gkq h LEU 197 Ca 0.10 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1gkq h LEU 197 Cb 0.05 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1gkq h LEU 197 CO -0.09 0.71 0.18 -0.07 0.09 0.00 0.00 178.44 179.26 1gkq h LEU 198 N 0.62 0.42 -1.38 1.67 3.38 -1.02 -1.34 115.31 117.66 1gkq h LEU 198 Ca 0.15 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1gkq h LEU 198 Cb 0.27 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1gkq h LEU 198 CO -0.00 0.40 0.00 0.77 0.09 0.00 0.00 178.44 179.70 1gkq h SER 199 N 0.41 0.00 -0.40 -0.43 4.64 -0.96 0.10 113.55 116.91 1gkq h SER 199 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1gkq h SER 199 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1gkq h SER 199 CO -0.02 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.32 1gkq n GLU 200 N -2.35 2.30 -0.90 4.77 1.02 -0.62 -4.92 120.64 119.94 1gkq n GLU 200 Ca -0.01 -1.99 0.00 0.00 -0.02 0.00 0.00 57.16 55.15 1gkq n GLU 200 Cb 0.09 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 1gkq n GLU 200 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1gkq n GLY 201 N 1.41 0.95 3.51 0.62 0.00 0.36 -4.97 105.19 107.06 1gkq n GLY 201 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1gkq n GLY 201 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gkq s LYS 202 N -0.10 3.37 -0.01 1.61 1.02 -0.61 -4.76 119.74 120.27 1gkq s LYS 202 Ca 0.00 -0.94 0.09 0.00 0.02 0.00 0.00 55.97 55.14 1gkq s LYS 202 Cb 0.00 -4.69 -0.11 0.00 -0.52 0.00 0.00 37.83 32.51 1gkq s LYS 202 CO 0.00 -2.02 0.29 0.25 -0.92 0.00 0.00 175.35 172.96 1gkq n THR 203 N 6.26 0.00 -0.84 2.17 -2.24 -1.26 -3.88 114.28 114.49 1gkq n THR 203 Ca 0.15 -0.26 -0.29 0.00 -2.27 0.00 0.00 64.05 61.38 1gkq n THR 203 Cb 0.49 0.71 0.20 0.00 -2.10 0.00 0.00 70.33 69.62 1gkq n THR 203 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1gkq s GLY 204 N -2.31 1.59 0.58 3.38 0.00 -1.26 -1.45 107.32 107.85 1gkq s GLY 204 Ca 0.01 -0.04 0.33 0.00 0.00 0.00 0.00 44.72 45.01 1gkq s GLY 204 CO 0.36 0.56 2.20 -2.55 0.00 0.00 0.00 173.10 173.67 1gkq h PRO 205 N -2.12 0.00 0.00 2.90 0.11 -1.93 -2.72 132.00 128.24 1gkq h PRO 205 Ca -0.55 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1gkq h PRO 205 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1gkq h PRO 205 CO 0.51 0.04 0.00 -0.85 -0.21 0.00 0.00 178.00 177.49 1gkq n GLU 206 N -3.55 0.25 -0.02 1.05 0.00 -1.19 -2.30 120.64 114.88 1gkq n GLU 206 Ca -0.02 0.13 0.11 0.00 0.00 0.00 0.00 57.16 57.37 1gkq n GLU 206 Cb 0.15 -1.50 0.10 0.00 0.00 0.00 0.00 31.44 30.19 1gkq n GLU 206 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 1gkq n TRP 207 N -1.24 0.05 0.13 -1.84 7.02 -1.03 -4.46 117.44 116.08 1gkq n TRP 207 Ca 0.07 -0.03 -0.14 0.00 -1.02 0.00 0.00 57.50 56.39 1gkq n TRP 207 Cb 0.10 -0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 28.91 1gkq n TRP 207 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1gkq h HIS 208 N 4.28 -0.27 -0.01 -5.99 2.76 -1.66 -2.31 115.15 111.95 1gkq h HIS 208 Ca 0.00 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.18 1gkq h HIS 208 Cb 0.91 0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.95 1gkq h HIS 208 CO 0.02 -0.05 -0.08 1.49 -1.30 0.00 0.00 177.93 178.02 1gkq h GLU 209 N -0.46 -0.13 -0.02 5.26 4.22 -1.80 -2.04 114.58 119.61 1gkq h GLU 209 Ca -0.03 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.42 1gkq h GLU 209 Cb 0.35 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1gkq h GLU 209 CO 0.05 -0.09 0.03 -1.35 -2.18 0.00 0.00 179.01 175.47 1gkq h PRO 210 N -0.14 0.00 0.00 0.92 0.11 -1.80 -0.91 132.00 130.19 1gkq h PRO 210 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1gkq h PRO 210 Cb 0.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.29 1gkq h PRO 210 CO -0.09 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.57 1gkq n SER 211 N -3.63 0.73 -2.98 -2.05 3.41 -0.77 -3.98 113.62 104.34 1gkq n SER 211 Ca -0.03 0.62 -0.16 0.00 -0.26 0.00 0.00 58.87 59.04 1gkq n SER 211 Cb 0.11 -0.80 -0.01 0.00 -0.26 0.00 0.00 64.21 63.25 1gkq n SER 211 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1gkq n ARG 212 N -2.24 0.74 -0.71 4.33 1.85 -0.37 -4.53 116.66 115.73 1gkq n ARG 212 Ca 0.04 -2.51 -0.29 0.00 -1.00 0.00 0.00 57.85 54.09 1gkq n ARG 212 Cb 0.33 -1.34 0.22 0.00 -1.05 0.00 0.00 32.46 30.62 1gkq n ARG 212 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1gkq s PRO 213 N -0.28 -0.21 0.37 2.89 0.04 -1.07 -4.80 135.00 131.94 1gkq s PRO 213 Ca 0.34 0.93 0.14 0.00 0.04 0.00 0.00 61.00 62.44 1gkq s PRO 213 Cb 0.20 -1.63 0.96 0.00 0.04 0.00 0.00 34.50 34.07 1gkq s PRO 213 CO -0.18 -3.27 1.81 0.93 0.04 0.00 0.00 177.00 176.33 1gkq h GLU 214 N -2.30 0.52 -0.41 4.56 5.08 -1.97 -0.51 114.58 119.54 1gkq h GLU 214 Ca -0.56 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 57.84 1gkq h GLU 214 Cb 1.32 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 1gkq h GLU 214 CO 0.50 0.34 0.28 0.00 -1.00 0.00 0.00 179.01 179.14 1gkq h ALA 215 N 1.62 2.08 -0.12 3.43 0.00 -1.99 -0.88 119.26 123.39 1gkq h ALA 215 Ca 0.53 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.30 1gkq h ALA 215 Cb 1.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1gkq h ALA 215 CO -0.27 -0.16 -0.42 0.28 0.00 0.00 0.00 179.25 178.68 1gkq h VAL 216 N 0.24 1.37 -0.64 0.00 2.07 -1.41 -1.61 116.25 116.27 1gkq h VAL 216 Ca 0.19 -1.73 -0.06 0.00 0.82 0.00 0.00 66.70 65.92 1gkq h VAL 216 Cb 0.43 2.12 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 1gkq h VAL 216 CO -0.04 0.52 0.16 -0.08 0.02 0.00 0.00 177.57 178.15 1gkq h GLU 217 N 0.10 0.99 -0.60 1.57 4.81 -1.40 -1.60 114.58 118.45 1gkq h GLU 217 Ca -0.02 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 58.96 1gkq h GLU 217 Cb 1.05 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.26 1gkq h GLU 217 CO 0.09 0.88 0.23 0.00 -0.73 0.00 0.00 179.01 179.48 1gkq h ALA 218 N 1.22 0.77 -0.07 2.92 0.00 -1.14 -0.25 119.26 122.72 1gkq h ALA 218 Ca 0.20 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1gkq h ALA 218 Cb 0.33 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1gkq h ALA 218 CO -0.00 0.39 0.04 1.49 0.00 0.00 0.00 179.25 181.17 1gkq h GLU 219 N 0.83 0.10 -0.57 0.00 4.22 -0.88 -1.30 114.58 116.98 1gkq h GLU 219 Ca 0.20 -0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.57 1gkq h GLU 219 Cb 0.21 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1gkq h GLU 219 CO -0.02 0.17 0.14 0.78 -2.18 0.00 0.00 179.01 177.90 1gkq h GLY 220 N 0.01 0.94 0.99 1.92 0.00 -1.17 -0.00 103.07 105.76 1gkq h GLY 220 Ca 0.02 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 46.75 1gkq h GLY 220 CO -0.00 0.51 0.06 -0.84 0.00 0.00 0.00 176.54 176.26 1gkq h THR 221 N 0.84 1.25 -0.30 4.70 2.02 -0.84 -0.92 112.91 119.66 1gkq h THR 221 Ca 0.18 -0.98 -0.15 0.00 0.77 0.00 0.00 66.41 66.23 1gkq h THR 221 Cb 0.30 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1gkq h THR 221 CO -0.00 0.35 -0.44 0.00 0.37 0.00 0.00 175.52 175.80 1gkq h ALA 222 N 0.96 0.67 -0.12 6.16 0.00 -0.99 -2.00 119.26 123.93 1gkq h ALA 222 Ca 0.15 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1gkq h ALA 222 Cb 0.44 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1gkq h ALA 222 CO 0.01 0.67 0.06 -0.09 0.00 0.00 0.00 179.25 179.91 1gkq h ARG 223 N 0.60 0.17 -0.51 0.00 2.43 -0.81 -1.14 114.38 115.13 1gkq h ARG 223 Ca 0.04 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1gkq h ARG 223 Cb 0.99 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.46 1gkq h ARG 223 CO 0.09 0.21 0.21 0.35 -1.51 0.00 0.00 179.97 179.32 1gkq h PHE 224 N 0.09 0.37 -0.80 2.20 3.57 -1.10 -1.42 116.94 119.84 1gkq h PHE 224 Ca 0.04 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1gkq h PHE 224 Cb 0.09 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 1gkq h PHE 224 CO -0.04 0.14 0.51 0.00 -2.23 0.00 0.00 178.31 176.69 1gkq h ALA 225 N 1.32 1.39 -0.54 2.41 0.00 -1.03 -1.48 119.26 121.34 1gkq h ALA 225 Ca 0.24 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1gkq h ALA 225 Cb 0.23 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1gkq h ALA 225 CO -0.22 0.55 0.02 1.15 0.00 0.00 0.00 179.25 180.75 1gkq h THR 226 N 1.09 1.25 -0.07 0.00 2.02 -0.20 -0.83 112.91 116.17 1gkq h THR 226 Ca 0.29 -1.04 -0.14 0.00 0.77 0.00 0.00 66.41 66.29 1gkq h THR 226 Cb -0.09 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1gkq h THR 226 CO -0.06 0.37 -0.60 -0.26 0.37 0.00 0.00 175.52 175.35 1gkq h PHE 227 N 0.84 0.30 -0.01 3.16 -1.00 -0.75 -1.50 116.94 117.98 1gkq h PHE 227 Ca 0.16 -0.11 -0.00 0.00 2.81 0.00 0.00 57.97 60.83 1gkq h PHE 227 Cb 0.47 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 39.97 1gkq h PHE 227 CO 0.03 0.77 -0.00 -0.07 -1.61 0.00 0.00 178.31 177.43 1gkq h LEU 228 N 0.17 0.02 -1.53 1.54 3.38 -1.01 -0.67 115.31 117.20 1gkq h LEU 228 Ca -0.01 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.68 1gkq h LEU 228 Cb 1.09 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 1gkq h LEU 228 CO 0.09 0.34 0.37 -0.08 0.09 0.00 0.00 178.44 179.25 1gkq h GLU 229 N -0.31 0.58 0.00 1.13 4.81 -1.08 0.17 114.58 119.88 1gkq h GLU 229 Ca 0.00 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 59.00 1gkq h GLU 229 Cb 0.34 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1gkq h GLU 229 CO 0.00 0.38 -0.98 1.15 -0.73 0.00 0.00 179.01 178.83 1gkq h THR 230 N 0.59 1.40 0.00 0.32 2.02 -1.15 -3.35 112.91 112.75 1gkq h THR 230 Ca 0.23 -3.04 -0.03 0.00 0.77 0.00 0.00 66.41 64.34 1gkq h THR 230 Cb 0.17 2.68 -0.01 0.00 -1.74 0.00 0.00 68.15 69.25 1gkq h THR 230 CO -0.06 0.80 -1.75 0.35 0.37 0.00 0.00 175.52 175.23 1gkq n THR 231 N -3.27 0.29 -0.63 3.16 -2.24 -0.27 -4.98 114.28 106.33 1gkq n THR 231 Ca -0.02 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1gkq n THR 231 Cb 0.90 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 1gkq n THR 231 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gkq n GLY 232 N 1.28 0.70 3.88 3.38 0.00 0.55 -4.89 105.19 110.08 1gkq n GLY 232 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 1gkq n GLY 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gkq s ALA 233 N -2.17 3.32 -0.10 4.61 0.00 -1.19 -4.94 121.76 121.29 1gkq s ALA 233 Ca 0.00 -0.22 -0.16 0.00 0.00 0.00 0.00 51.96 51.59 1gkq s ALA 233 Cb 0.00 -2.74 -0.05 0.00 0.00 0.00 0.00 23.12 20.34 1gkq s ALA 233 CO 0.00 -0.12 0.40 0.99 0.00 0.00 0.00 175.76 177.03 1gkq s THR 234 N -2.49 5.19 0.37 0.00 2.01 -1.26 -4.71 115.64 114.74 1gkq s THR 234 Ca 0.51 0.79 0.05 0.00 0.31 0.00 0.00 61.69 63.35 1gkq s THR 234 Cb -0.10 -3.73 -0.07 0.00 0.01 0.00 0.00 72.50 68.61 1gkq s THR 234 CO 0.35 0.42 0.04 -0.83 -0.69 0.00 0.00 174.62 173.90 1gkq s GLY 235 N 0.09 2.32 -0.18 4.40 0.00 -0.51 -1.43 107.32 112.01 1gkq s GLY 235 Ca 0.22 -2.06 -0.06 0.00 0.00 0.00 0.00 44.72 42.82 1gkq s GLY 235 CO 0.09 -1.95 0.38 -0.47 0.00 0.00 0.00 173.10 171.15 1gkq s TYR 236 N -3.03 -0.70 -0.30 1.90 6.14 0.12 -1.23 117.35 120.24 1gkq s TYR 236 Ca 0.34 1.34 -0.22 0.00 0.64 0.00 0.00 57.07 59.17 1gkq s TYR 236 Cb 0.09 0.20 -0.01 0.00 0.42 0.00 0.00 41.96 42.66 1gkq s TYR 236 CO 0.16 -0.46 0.70 0.08 0.64 0.00 0.00 175.55 176.67 1gkq s VAL 237 N 2.56 4.88 0.45 3.14 1.01 0.77 -0.65 120.40 132.55 1gkq s VAL 237 Ca -0.00 1.03 -0.17 0.00 0.00 0.00 0.00 61.98 62.85 1gkq s VAL 237 Cb -0.12 -4.06 -0.09 0.00 0.00 0.00 0.00 36.38 32.11 1gkq s VAL 237 CO -0.12 -0.17 0.91 0.68 0.00 0.00 0.00 175.10 176.40 1gkq s VAL 238 N 2.75 4.55 -0.37 2.92 -7.23 -0.82 -1.15 120.40 121.06 1gkq s VAL 238 Ca 0.28 1.16 -0.05 0.00 -1.81 0.00 0.00 61.98 61.56 1gkq s VAL 238 Cb -0.15 -3.68 0.01 0.00 0.56 0.00 0.00 36.38 33.12 1gkq s VAL 238 CO 0.12 -0.50 0.24 0.00 -0.31 0.00 0.00 175.10 174.65 1gkq n HIS 239 N -1.14 -0.69 -2.55 2.82 1.44 -1.12 -4.70 115.22 109.28 1gkq n HIS 239 Ca 0.06 0.21 -0.42 0.00 -2.01 0.00 0.00 57.72 55.55 1gkq n HIS 239 Cb 0.54 -1.06 -0.03 0.00 0.12 0.00 0.00 29.99 29.56 1gkq n HIS 239 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 1gkq s LEU 240 N -4.17 4.31 -0.00 2.39 0.20 0.35 -4.70 118.68 117.06 1gkq s LEU 240 Ca 0.07 1.76 0.08 0.00 0.69 0.00 0.00 54.13 56.73 1gkq s LEU 240 Cb -0.04 -3.56 -0.09 0.00 -0.43 0.00 0.00 46.19 42.07 1gkq s LEU 240 CO 0.36 -0.47 0.31 -1.54 -0.29 0.00 0.00 176.35 174.72 1gkq n SER 241 N 4.64 0.78 -4.03 3.68 3.41 -1.26 -4.62 113.62 116.22 1gkq n SER 241 Ca 0.09 -0.58 -0.09 0.00 -0.26 0.00 0.00 58.87 58.03 1gkq n SER 241 Cb 0.48 1.05 -0.09 0.00 -0.26 0.00 0.00 64.21 65.40 1gkq n SER 241 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gkq h LYS 243 N 2.77 0.03 -0.99 0.00 3.64 -1.97 -0.89 116.57 119.15 1gkq h LYS 243 Ca -0.34 -0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.17 1gkq h LYS 243 Cb 1.20 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.93 1gkq h LYS 243 CO 0.56 0.02 0.63 -1.35 -2.27 0.00 0.00 179.45 177.03 1gkq h PRO 244 N 0.03 0.92 -0.19 1.90 0.11 -1.97 0.34 132.00 133.13 1gkq h PRO 244 Ca 0.16 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 66.08 1gkq h PRO 244 Cb 0.23 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.14 1gkq h PRO 244 CO -0.31 0.61 -0.39 0.00 -0.21 0.00 0.00 178.00 177.70 1gkq h ALA 245 N 1.56 0.30 -0.69 -0.75 0.00 -1.73 -2.62 119.26 115.32 1gkq h ALA 245 Ca 0.50 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1gkq h ALA 245 Cb 0.55 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1gkq h ALA 245 CO -0.27 0.39 0.42 1.25 0.00 0.00 0.00 179.25 181.05 1gkq h LEU 246 N 0.27 0.68 -0.71 0.00 5.85 0.02 -0.41 115.31 121.01 1gkq h LEU 246 Ca 0.00 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.77 1gkq h LEU 246 Cb 0.99 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.84 1gkq h LEU 246 CO 0.09 0.46 0.43 0.44 -0.34 0.00 0.00 178.44 179.52 1gkq h ASP 247 N 0.81 0.70 -0.46 1.25 3.32 -0.33 0.27 116.42 121.99 1gkq h ASP 247 Ca 0.29 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.31 1gkq h ASP 247 Cb 0.07 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1gkq h ASP 247 CO -0.13 0.47 0.13 0.00 -1.72 0.00 0.00 179.24 178.00 1gkq h ALA 248 N 1.32 0.60 -0.27 3.45 0.00 -0.94 -1.16 119.26 122.25 1gkq h ALA 248 Ca 0.29 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1gkq h ALA 248 Cb 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1gkq h ALA 248 CO -0.13 0.26 -0.44 0.00 0.00 0.00 0.00 179.25 178.94 1gkq h ALA 249 N 0.99 0.72 -0.62 0.00 0.00 -0.62 -2.77 119.26 116.95 1gkq h ALA 249 Ca 0.15 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1gkq h ALA 249 Cb 0.28 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1gkq h ALA 249 CO -0.00 0.67 0.09 0.52 0.00 0.00 0.00 179.25 180.52 1gkq h MET 250 N 0.55 1.03 -0.99 0.00 2.07 -0.35 -1.11 114.93 116.13 1gkq h MET 250 Ca 0.04 -0.28 0.01 0.00 -2.07 0.00 0.00 59.70 57.40 1gkq h MET 250 Cb 0.99 -0.12 -0.05 0.00 -1.87 0.00 0.00 31.60 30.55 1gkq h MET 250 CO 0.09 0.97 0.65 0.00 1.07 0.00 0.00 176.91 179.69 1gkq h ALA 251 N 1.02 1.26 -0.39 6.32 0.00 -1.14 0.12 119.26 126.45 1gkq h ALA 251 Ca 0.19 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1gkq h ALA 251 Cb 0.44 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1gkq h ALA 251 CO 0.01 0.63 -0.02 0.00 0.00 0.00 0.00 179.25 179.87 1gkq h ALA 252 N 1.37 0.53 -0.35 0.00 0.00 -1.18 -2.20 119.26 117.42 1gkq h ALA 252 Ca 0.37 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1gkq h ALA 252 Cb -0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1gkq h ALA 252 CO -0.08 0.32 0.23 0.87 0.00 0.00 0.00 179.25 180.59 1gkq h LYS 253 N 0.52 0.46 -0.54 0.00 1.57 -0.54 -1.44 116.57 116.60 1gkq h LYS 253 Ca 0.11 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1gkq h LYS 253 Cb 0.50 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 1gkq h LYS 253 CO 0.02 0.31 0.36 0.00 -0.57 0.00 0.00 179.45 179.57 1gkq h ALA 254 N 1.12 1.69 -0.36 3.86 0.00 -0.66 -1.91 119.26 123.00 1gkq h ALA 254 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1gkq h ALA 254 Cb -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1gkq h ALA 254 CO -0.03 0.26 0.00 2.89 0.00 0.00 0.00 179.25 182.38 1gkq n ARG 255 N -4.46 1.99 -0.09 0.00 1.85 -0.84 -4.92 116.66 110.18 1gkq n ARG 255 Ca 0.06 -1.36 0.00 0.00 -1.00 0.00 0.00 57.85 55.54 1gkq n ARG 255 Cb 0.11 -1.36 0.00 0.00 -1.05 0.00 0.00 32.46 30.16 1gkq n ARG 255 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1gkq n GLY 256 N 1.00 0.55 3.71 2.89 0.00 -0.72 -5.06 105.19 107.57 1gkq n GLY 256 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1gkq n GLY 256 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gkq s VAL 257 N -2.19 3.39 -1.18 1.61 1.01 -0.57 -4.91 120.40 117.57 1gkq s VAL 257 Ca 0.00 0.99 -0.20 0.00 0.00 0.00 0.00 61.98 62.77 1gkq s VAL 257 Cb 0.00 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.79 1gkq s VAL 257 CO 0.00 0.08 1.67 -2.16 0.00 0.00 0.00 175.10 174.69 1gkq s PRO 258 N 1.12 3.66 0.02 2.72 0.04 -1.26 -4.41 135.00 136.89 1gkq s PRO 258 Ca 0.64 -1.55 0.05 0.00 0.04 0.00 0.00 61.00 60.18 1gkq s PRO 258 Cb -0.36 -5.43 -0.02 0.00 0.04 0.00 0.00 34.50 28.73 1gkq s PRO 258 CO 0.30 -2.45 -0.14 -1.50 0.04 0.00 0.00 177.00 173.25 1gkq s ILE 259 N 5.35 1.11 0.18 0.56 2.07 -1.26 -1.42 121.20 127.79 1gkq s ILE 259 Ca 0.53 -0.88 0.10 0.00 -1.41 0.00 0.00 60.65 58.99 1gkq s ILE 259 Cb 0.02 -0.98 -0.04 0.00 0.13 0.00 0.00 42.46 41.58 1gkq s ILE 259 CO 0.02 0.10 -0.20 -0.31 -1.91 0.00 0.00 174.94 172.64 1gkq s TYR 260 N -0.69 1.98 -0.05 3.50 2.02 -0.37 -4.87 117.35 118.87 1gkq s TYR 260 Ca 0.03 -0.43 0.06 0.00 -0.37 0.00 0.00 57.07 56.35 1gkq s TYR 260 Cb -0.07 -0.97 -0.02 0.00 -0.40 0.00 0.00 41.96 40.51 1gkq s TYR 260 CO 0.01 0.41 -0.22 0.42 -1.57 0.00 0.00 175.55 174.60 1gkq s ILE 261 N -2.05 2.34 0.01 2.71 1.01 -1.26 -0.16 121.20 123.79 1gkq s ILE 261 Ca 0.19 -0.97 0.06 0.00 0.00 0.00 0.00 60.65 59.92 1gkq s ILE 261 Cb -0.06 -1.87 -0.02 0.00 0.01 0.00 0.00 42.46 40.53 1gkq s ILE 261 CO 0.08 0.57 -0.19 -0.70 0.00 0.00 0.00 174.94 174.70 1gkq s GLU 262 N -0.33 1.43 0.07 2.79 2.12 -0.30 -0.64 118.70 123.85 1gkq s GLU 262 Ca 0.02 -0.78 0.05 0.00 0.36 0.00 0.00 54.97 54.61 1gkq s GLU 262 Cb -0.12 -1.45 -0.03 0.00 0.26 0.00 0.00 34.13 32.79 1gkq s GLU 262 CO 0.02 0.38 -0.13 -1.12 -0.54 0.00 0.00 175.26 173.88 1gkq s SER 263 N -0.77 1.53 -0.00 -1.70 0.01 -0.88 -0.50 113.70 111.39 1gkq s SER 263 Ca 0.07 -0.63 0.03 0.00 1.31 0.00 0.00 55.95 56.73 1gkq s SER 263 Cb -0.08 -0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.09 1gkq s SER 263 CO 0.00 -0.12 -0.08 0.68 0.41 0.00 0.00 173.24 174.14 1gkq s VAL 264 N -1.44 3.59 0.34 3.43 -7.23 -1.26 -1.36 120.40 116.47 1gkq s VAL 264 Ca -0.02 -0.76 0.11 0.00 -1.81 0.00 0.00 61.98 59.50 1gkq s VAL 264 Cb -0.09 -2.54 0.36 0.00 0.56 0.00 0.00 36.38 34.67 1gkq s VAL 264 CO 0.02 0.42 1.60 -0.29 -0.31 0.00 0.00 175.10 176.53 1gkq h ILE 265 N 3.84 0.08 -0.09 -0.62 6.09 -1.51 -1.02 117.51 124.29 1gkq h ILE 265 Ca -0.48 -0.02 0.02 0.00 -1.37 0.00 0.00 64.86 63.00 1gkq h ILE 265 Cb 1.17 0.01 -0.00 0.00 0.47 0.00 0.00 36.82 38.46 1gkq h ILE 265 CO 0.53 0.01 0.06 1.55 -3.07 0.00 0.00 178.15 177.23 1gkq h PRO 266 N 0.07 0.02 0.00 2.19 0.13 -1.87 -1.44 132.00 131.10 1gkq h PRO 266 Ca 0.71 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.84 1gkq h PRO 266 Cb 1.69 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.82 1gkq h PRO 266 CO -0.79 0.01 0.00 0.72 -0.23 0.00 0.00 178.00 177.71 1gkq n HIS 267 N -4.52 0.00 -0.02 1.56 8.25 -0.39 -0.72 115.22 119.39 1gkq n HIS 267 Ca -0.01 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.42 1gkq n HIS 267 Cb 0.16 -0.41 -0.13 0.00 1.12 0.00 0.00 29.99 30.74 1gkq n HIS 267 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1gkq n PHE 268 N -1.41 0.59 0.00 4.41 3.01 -0.55 -4.62 117.46 118.90 1gkq n PHE 268 Ca 0.08 0.20 0.01 0.00 1.01 0.00 0.00 57.45 58.75 1gkq n PHE 268 Cb 0.23 -1.01 -0.01 0.00 -0.01 0.00 0.00 39.48 38.67 1gkq n PHE 268 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1gkq n LEU 269 N -2.80 0.00 -4.73 4.37 4.77 -1.12 -4.86 117.00 112.62 1gkq n LEU 269 Ca -0.17 -0.01 -0.23 0.00 -0.03 0.00 0.00 56.01 55.57 1gkq n LEU 269 Cb 0.94 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.97 1gkq n LEU 269 CO 0.44 0.00 -0.22 -0.76 -1.33 0.00 0.00 177.39 175.52 1gkq s LEU 270 N -3.09 3.35 0.23 2.23 1.43 0.11 -5.11 118.68 117.82 1gkq s LEU 270 Ca -0.01 -0.64 -0.01 0.00 -1.03 0.00 0.00 54.13 52.45 1gkq s LEU 270 Cb 0.01 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 1gkq s LEU 270 CO 0.07 -0.18 0.19 1.51 0.23 0.00 0.00 176.35 178.17 1gkq s ASP 271 N -3.81 0.37 0.52 2.29 1.47 -1.26 -4.64 116.67 111.60 1gkq s ASP 271 Ca 0.35 -1.40 0.30 0.00 1.18 0.00 0.00 52.55 52.98 1gkq s ASP 271 Cb -0.05 0.43 1.44 0.00 -0.34 0.00 0.00 42.92 44.40 1gkq s ASP 271 CO 0.23 -0.91 1.88 0.07 0.68 0.00 0.00 175.17 177.11 1gkq h LYS 272 N 2.50 0.05 -0.05 2.11 2.10 -0.80 -2.05 116.57 120.43 1gkq h LYS 272 Ca -0.33 -0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.31 1gkq h LYS 272 Cb 1.25 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1gkq h LYS 272 CO 0.49 0.03 0.03 1.79 -2.00 0.00 0.00 179.45 179.79 1gkq h THR 273 N 0.05 1.02 -0.54 0.07 1.35 -1.92 -1.06 112.91 111.88 1gkq h THR 273 Ca 0.45 -0.04 0.04 0.00 -0.55 0.00 0.00 66.41 66.31 1gkq h THR 273 Cb 1.69 0.94 -0.03 0.00 -1.73 0.00 0.00 68.15 69.02 1gkq h THR 273 CO -0.03 0.02 0.36 1.88 -0.25 0.00 0.00 175.52 177.50 1gkq h TYR 274 N 0.07 0.56 -0.11 4.73 -1.99 -1.78 0.94 116.97 119.40 1gkq h TYR 274 Ca 0.02 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1gkq h TYR 274 Cb 0.00 -0.19 0.00 0.00 2.00 0.00 0.00 36.73 38.54 1gkq h TYR 274 CO 0.00 0.32 0.00 0.00 -0.00 0.00 0.00 178.16 178.48 1gkq n ALA 275 N -2.48 2.55 -0.54 3.88 0.00 -0.41 -3.33 120.51 120.19 1gkq n ALA 275 Ca 0.07 -0.36 0.07 0.00 0.00 0.00 0.00 53.44 53.21 1gkq n ALA 275 Cb 0.18 -1.16 0.18 0.00 0.00 0.00 0.00 19.45 18.65 1gkq n ALA 275 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1gkq n GLU 276 N -0.11 2.78 0.05 0.00 1.02 0.32 -3.17 120.64 121.54 1gkq n GLU 276 Ca 0.15 -2.34 0.13 0.00 -0.02 0.00 0.00 57.16 55.08 1gkq n GLU 276 Cb 0.22 -1.48 0.49 0.00 -0.02 0.00 0.00 31.44 30.65 1gkq n GLU 276 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1gkq n ARG 277 N -0.14 0.13 -0.31 3.49 1.74 -1.18 -4.99 116.66 115.41 1gkq n ARG 277 Ca 0.14 0.10 0.01 0.00 -0.77 0.00 0.00 57.85 57.33 1gkq n ARG 277 Cb 0.60 -1.65 -0.00 0.00 -1.02 0.00 0.00 32.46 30.39 1gkq n ARG 277 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gkq n GLY 278 N 1.41 -2.99 7.00 -0.13 0.00 -1.26 -4.75 105.19 104.46 1gkq n GLY 278 Ca 0.06 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1gkq n GLY 278 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gkq n GLY 279 N -1.89 -0.56 0.25 -0.02 0.00 -1.26 -3.12 105.19 98.60 1gkq n GLY 279 Ca -0.00 -1.10 0.11 0.00 0.00 0.00 0.00 46.02 45.02 1gkq n GLY 279 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1gkq h VAL 280 N 0.00 0.67 -0.63 1.61 3.04 -1.98 -2.50 116.25 116.46 1gkq h VAL 280 Ca 0.00 -0.60 -0.01 0.00 -1.01 0.00 0.00 66.70 65.08 1gkq h VAL 280 Cb 0.00 1.37 -0.03 0.00 -2.01 0.00 0.00 31.29 30.62 1gkq h VAL 280 CO 0.00 0.14 0.36 -0.08 -1.01 0.00 0.00 177.57 176.98 1gkq h GLU 281 N 0.00 0.86 -0.12 4.17 4.57 -1.93 -2.52 114.58 119.62 1gkq h GLU 281 Ca -0.00 -0.09 -0.18 0.00 -1.18 0.00 0.00 59.36 57.91 1gkq h GLU 281 Cb 0.36 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1gkq h GLU 281 CO 0.02 0.64 -0.66 0.00 -1.18 0.00 0.00 179.01 177.82 1gkq h ALA 282 N 1.18 0.62 0.00 2.92 0.00 -1.40 -3.10 119.26 119.47 1gkq h ALA 282 Ca 0.22 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1gkq h ALA 282 Cb 0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1gkq h ALA 282 CO -0.04 0.73 -0.02 0.52 0.00 0.00 0.00 179.25 180.44 1gkq h MET 283 N 0.35 0.00 0.00 0.00 2.86 -1.10 -1.01 114.93 116.03 1gkq h MET 283 Ca -0.02 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1gkq h MET 283 Cb 1.23 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.89 1gkq h MET 283 CO 0.12 0.02 -0.08 0.87 1.06 0.00 0.00 176.91 178.90 1gkq h LYS 284 N 0.00 0.00 -0.41 1.72 1.57 -1.38 -2.93 116.57 115.13 1gkq h LYS 284 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1gkq h LYS 284 Cb 0.09 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 1gkq h LYS 284 CO 0.00 0.08 0.04 0.66 -0.57 0.00 0.00 179.45 179.67 1gkq n TYR 285 N -3.28 1.43 -3.21 -1.35 4.01 -0.38 -4.75 117.16 109.62 1gkq n TYR 285 Ca -0.00 -1.00 -0.40 0.00 -0.16 0.00 0.00 57.90 56.33 1gkq n TYR 285 Cb 0.29 -0.44 -0.07 0.00 -0.31 0.00 0.00 39.34 38.81 1gkq n TYR 285 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1gkq s ILE 286 N -2.91 5.04 0.31 -0.72 -1.09 -1.11 -4.66 121.20 116.07 1gkq s ILE 286 Ca 0.47 0.84 -0.07 0.00 -2.23 0.00 0.00 60.65 59.67 1gkq s ILE 286 Cb 0.38 -3.87 0.00 0.00 -1.58 0.00 0.00 42.46 37.39 1gkq s ILE 286 CO 0.10 0.02 0.49 0.00 -1.23 0.00 0.00 174.94 174.32 1gkq s MET 287 N 2.37 1.81 -0.05 2.79 0.23 -1.26 -0.81 119.30 124.39 1gkq s MET 287 Ca 0.22 -1.57 0.00 0.00 -1.03 0.00 0.00 55.69 53.30 1gkq s MET 287 Cb -0.15 0.46 0.03 0.00 -1.53 0.00 0.00 34.83 33.63 1gkq s MET 287 CO 0.10 -0.76 -0.01 -1.12 -2.03 0.00 0.00 175.02 171.20 1gkq s SER 288 N -3.15 0.92 0.66 -1.18 0.01 -1.26 -2.57 113.70 107.12 1gkq s SER 288 Ca 0.27 -0.08 -0.17 0.00 1.31 0.00 0.00 55.95 57.28 1gkq s SER 288 Cb -0.01 -0.36 -0.00 0.00 0.21 0.00 0.00 66.02 65.86 1gkq s SER 288 CO 0.16 -0.11 1.22 -2.84 0.41 0.00 0.00 173.24 172.08 1gkq s PRO 289 N 1.24 2.59 0.96 12.44 0.02 -1.26 -5.04 135.00 145.95 1gkq s PRO 289 Ca -0.06 1.82 -0.11 0.00 0.02 0.00 0.00 61.00 62.67 1gkq s PRO 289 Cb -0.13 -1.88 0.16 0.00 0.02 0.00 0.00 34.50 32.67 1gkq s PRO 289 CO -0.02 -1.51 1.08 -2.30 -0.33 0.00 0.00 177.00 173.93 1gkq n PRO 290 N -2.10 -0.77 -2.19 5.54 -0.02 -1.06 -4.95 135.00 129.45 1gkq n PRO 290 Ca 0.14 -0.16 -0.39 0.00 -2.02 0.00 0.00 63.50 61.06 1gkq n PRO 290 Cb 0.50 -2.32 -0.01 0.00 -0.02 0.00 0.00 33.50 31.65 1gkq n PRO 290 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1gkq s LEU 291 N -6.41 4.24 0.00 2.45 1.43 -1.26 -5.01 118.68 114.13 1gkq s LEU 291 Ca 0.67 2.50 0.05 0.00 -1.03 0.00 0.00 54.13 56.32 1gkq s LEU 291 Cb -0.23 -3.92 0.05 0.00 0.03 0.00 0.00 46.19 42.12 1gkq s LEU 291 CO 0.60 -0.71 0.42 0.54 0.23 0.00 0.00 176.35 177.43 1gkq n ARG 292 N 0.22 0.74 -1.84 1.70 5.12 -1.26 -3.82 116.66 117.52 1gkq n ARG 292 Ca 0.03 -3.08 -0.41 0.00 -1.93 0.00 0.00 57.85 52.46 1gkq n ARG 292 Cb 0.45 0.26 -0.01 0.00 -1.16 0.00 0.00 32.46 31.99 1gkq n ARG 292 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1gkq s ASP 293 N -3.98 6.43 0.45 0.55 -1.08 -1.26 -0.37 116.67 117.42 1gkq s ASP 293 Ca 0.32 2.92 0.26 0.00 -0.52 0.00 0.00 52.55 55.53 1gkq s ASP 293 Cb -0.03 -2.64 1.42 0.00 -1.46 0.00 0.00 42.92 40.22 1gkq s ASP 293 CO 0.20 -0.85 1.78 0.07 0.52 0.00 0.00 175.17 176.89 1gkq h LYS 294 N 4.31 0.00 -0.01 4.34 2.10 -1.95 -1.86 116.57 123.50 1gkq h LYS 294 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1gkq h LYS 294 Cb 1.23 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1gkq h LYS 294 CO 0.74 0.00 0.03 0.07 -2.00 0.00 0.00 179.45 178.29 1gkq h ARG 295 N 0.00 0.00 0.00 0.07 0.11 -2.00 -1.20 114.38 111.36 1gkq h ARG 295 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 1gkq h ARG 295 Cb 0.24 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.32 1gkq h ARG 295 CO 0.00 0.00 -0.11 -0.91 0.10 0.00 0.00 179.97 179.05 1gkq h ASN 296 N 0.00 0.00 -0.64 0.08 2.35 -1.69 -3.31 115.58 112.36 1gkq h ASN 296 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1gkq h ASN 296 Cb 0.06 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 1gkq h ASN 296 CO -0.00 0.11 0.30 1.56 -1.65 0.00 0.00 177.43 177.75 1gkq h GLN 297 N 0.00 0.93 -0.62 0.81 4.20 -1.43 -1.45 115.11 117.55 1gkq h GLN 297 Ca -0.00 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 1gkq h GLN 297 Cb 0.89 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.48 1gkq h GLN 297 CO 0.01 0.75 0.26 -0.22 -0.67 0.00 0.00 178.83 178.96 1gkq h LYS 298 N 0.89 0.92 -0.30 1.46 3.64 -1.73 -0.28 116.57 121.17 1gkq h LYS 298 Ca 0.22 -0.16 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1gkq h LYS 298 Cb 0.13 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 1gkq h LYS 298 CO -0.03 0.78 0.08 0.28 -2.27 0.00 0.00 179.45 178.29 1gkq h VAL 299 N 0.87 0.89 -0.38 2.00 2.07 -1.61 0.64 116.25 120.73 1gkq h VAL 299 Ca 0.21 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.61 1gkq h VAL 299 Cb 0.19 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1gkq h VAL 299 CO -0.02 0.04 0.03 -0.07 0.02 0.00 0.00 177.57 177.57 1gkq h LEU 300 N 0.20 0.63 -0.26 2.57 3.38 -0.98 -1.32 115.31 119.54 1gkq h LEU 300 Ca 0.14 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1gkq h LEU 300 Cb 0.12 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1gkq h LEU 300 CO -0.16 0.76 0.17 -0.50 0.09 0.00 0.00 178.44 178.79 1gkq h TRP 301 N 0.48 0.34 -0.73 1.13 4.06 -0.73 -0.17 115.95 120.32 1gkq h TRP 301 Ca 0.11 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.07 1gkq h TRP 301 Cb 0.42 -0.11 -0.04 0.00 -1.00 0.00 0.00 29.16 28.43 1gkq h TRP 301 CO 0.03 0.23 0.46 -0.44 -3.56 0.00 0.00 178.44 175.17 1gkq h ASP 302 N 0.34 0.86 -0.32 -3.49 3.32 -0.81 -1.37 116.42 114.95 1gkq h ASP 302 Ca 0.09 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 1gkq h ASP 302 Cb -0.01 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1gkq h ASP 302 CO -0.02 0.65 0.03 0.00 -1.72 0.00 0.00 179.24 178.18 1gkq h ALA 303 N 1.25 1.28 -0.26 3.45 0.00 -0.90 -2.50 119.26 121.58 1gkq h ALA 303 Ca 0.26 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1gkq h ALA 303 Cb -0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1gkq h ALA 303 CO -0.05 0.49 -0.11 1.25 0.00 0.00 0.00 179.25 180.82 1gkq h LEU 304 N 0.62 0.54 -1.47 0.00 5.85 -0.47 0.30 115.31 120.69 1gkq h LEU 304 Ca 0.13 -0.40 0.02 0.00 0.84 0.00 0.00 57.88 58.47 1gkq h LEU 304 Cb 0.34 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1gkq h LEU 304 CO 0.01 0.82 0.37 0.00 -0.34 0.00 0.00 178.44 179.31 1gkq h ALA 305 N 0.74 1.65 -0.09 1.25 0.00 -1.03 -1.80 119.26 119.99 1gkq h ALA 305 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1gkq h ALA 305 Cb 0.61 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1gkq h ALA 305 CO 0.04 0.30 0.00 1.04 0.00 0.00 0.00 179.25 180.63 1gkq n GLN 306 N -4.46 1.76 -1.00 0.00 1.13 -0.96 -4.90 117.38 108.95 1gkq n GLN 306 Ca 0.06 -1.12 -0.00 0.00 -1.94 0.00 0.00 57.00 54.00 1gkq n GLN 306 Cb 0.09 -1.45 -0.00 0.00 0.11 0.00 0.00 30.24 28.99 1gkq n GLN 306 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1gkq n GLY 307 N 1.18 0.48 0.23 1.08 0.00 -0.68 -4.91 105.19 102.57 1gkq n GLY 307 Ca 0.18 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 1gkq n GLY 307 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1gkq h PHE 308 N 0.00 0.75 -3.52 1.61 0.04 -0.65 -3.39 116.94 111.79 1gkq h PHE 308 Ca -0.00 -0.23 -0.61 0.00 2.80 0.00 0.00 57.97 59.93 1gkq h PHE 308 Cb 0.02 -0.16 -0.12 0.00 2.20 0.00 0.00 35.95 37.90 1gkq h PHE 308 CO 0.01 0.95 -0.18 0.42 -0.60 0.00 0.00 178.31 178.92 1gkq s ILE 309 N -4.21 5.18 -0.10 -0.55 1.01 -1.08 -4.65 121.20 116.80 1gkq s ILE 309 Ca -0.08 0.72 -0.27 0.00 0.00 0.00 0.00 60.65 61.03 1gkq s ILE 309 Cb 0.12 -3.74 -0.26 0.00 0.01 0.00 0.00 42.46 38.59 1gkq s ILE 309 CO 0.84 0.22 0.89 0.44 0.00 0.00 0.00 174.94 177.33 1gkq h ASP 310 N 7.54 0.10 -3.79 3.58 5.19 -1.08 -3.44 116.42 124.53 1gkq h ASP 310 Ca -0.35 -0.89 -0.37 0.00 -0.62 0.00 0.00 57.03 54.80 1gkq h ASP 310 Cb 1.16 -0.03 -0.14 0.00 0.18 0.00 0.00 39.33 40.49 1gkq h ASP 310 CO 0.71 0.99 -0.70 0.42 -3.12 0.00 0.00 179.24 177.54 1gkq s THR 311 N -2.64 1.22 -0.13 0.35 -4.23 -0.96 -4.39 115.64 104.87 1gkq s THR 311 Ca -0.17 -2.08 0.01 0.00 -1.18 0.00 0.00 61.69 58.27 1gkq s THR 311 Cb -0.01 -2.05 0.02 0.00 1.34 0.00 0.00 72.50 71.80 1gkq s THR 311 CO 0.72 -0.58 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.39 1gkq s VAL 312 N -3.29 1.48 0.00 2.29 1.01 -0.34 -2.07 120.40 119.48 1gkq s VAL 312 Ca 0.22 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1gkq s VAL 312 Cb 0.03 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 35.02 1gkq s VAL 312 CO 0.04 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1gkq n GLY 313 N 4.57 6.51 0.00 4.51 0.00 -0.46 -4.73 105.19 115.59 1gkq n GLY 313 Ca -0.17 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.83 1gkq n GLY 313 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gkq n THR 314 N 0.00 0.00 -3.36 2.61 -2.24 -1.25 -1.44 114.28 108.60 1gkq n THR 314 Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 1gkq n THR 314 Cb 0.00 -0.62 0.07 0.00 -2.10 0.00 0.00 70.33 67.68 1gkq n THR 314 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1gkq n ASP 315 N -2.03 -5.04 -4.60 3.42 2.03 0.69 -4.65 116.55 106.38 1gkq n ASP 315 Ca 0.00 -0.45 -0.51 0.00 0.52 0.00 0.00 54.79 54.35 1gkq n ASP 315 Cb 0.41 -4.22 -0.06 0.00 -0.72 0.00 0.00 41.12 36.53 1gkq n ASP 315 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1gkq n HIS 316 N -4.40 1.98 -3.26 -0.67 -0.00 -1.20 -4.59 115.22 103.08 1gkq n HIS 316 Ca -0.03 0.20 -0.19 0.00 -0.00 0.00 0.00 57.72 57.69 1gkq n HIS 316 Cb 0.56 -2.58 -0.07 0.00 -0.00 0.00 0.00 29.99 27.90 1gkq n HIS 316 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1gkq s PRO 318 N 0.72 4.57 0.02 0.00 0.04 -1.26 -2.66 135.00 136.43 1gkq s PRO 318 Ca 0.26 1.71 -0.03 0.00 0.04 0.00 0.00 61.00 62.98 1gkq s PRO 318 Cb -0.05 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.18 1gkq s PRO 318 CO -0.10 0.02 0.04 -0.06 0.04 0.00 0.00 177.00 176.93 1gkq s PHE 319 N 0.04 0.21 0.39 0.56 0.08 -1.26 -1.02 117.98 116.98 1gkq s PHE 319 Ca 0.51 -0.46 -0.13 0.00 0.12 0.00 0.00 56.93 56.97 1gkq s PHE 319 Cb -0.29 -0.16 -0.08 0.00 -0.57 0.00 0.00 43.02 41.93 1gkq s PHE 319 CO 0.34 -0.26 0.78 -0.51 -0.10 0.00 0.00 175.22 175.46 1gkq s ASP 320 N -1.66 6.63 0.46 1.36 1.01 -1.26 -4.56 116.67 118.64 1gkq s ASP 320 Ca -0.12 1.23 0.17 0.00 0.71 0.00 0.00 52.55 54.54 1gkq s ASP 320 Cb -0.07 -2.36 1.14 0.00 1.01 0.00 0.00 42.92 42.65 1gkq s ASP 320 CO -0.02 -0.35 1.98 0.71 0.21 0.00 0.00 175.17 177.71 1gkq h THR 321 N 1.40 0.84 -0.56 -1.27 1.35 -1.98 0.93 112.91 113.62 1gkq h THR 321 Ca -0.47 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1gkq h THR 321 Cb 1.18 0.53 -0.03 0.00 -1.73 0.00 0.00 68.15 68.11 1gkq h THR 321 CO 0.64 0.05 0.36 -0.08 -0.25 0.00 0.00 175.52 176.24 1gkq h GLU 322 N 0.28 0.74 -0.36 4.72 4.81 -2.00 -1.28 114.58 121.50 1gkq h GLU 322 Ca 0.27 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.33 1gkq h GLU 322 Cb 0.69 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1gkq h GLU 322 CO -0.06 0.51 -0.26 1.96 -0.73 0.00 0.00 179.01 180.43 1gkq h GLN 323 N 0.75 0.74 -0.58 1.92 4.20 -1.26 -2.77 115.11 118.11 1gkq h GLN 323 Ca 0.20 -0.31 0.02 0.00 0.06 0.00 0.00 58.65 58.62 1gkq h GLN 323 Cb -0.06 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 1gkq h GLN 323 CO -0.04 0.92 0.39 0.87 -0.67 0.00 0.00 178.83 180.30 1gkq h LYS 324 N 0.64 0.72 0.00 1.46 1.79 -0.54 -1.14 116.57 119.51 1gkq h LYS 324 Ca 0.08 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1gkq h LYS 324 Cb 0.77 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 1gkq h LYS 324 CO 0.06 0.48 0.00 1.28 -1.08 0.00 0.00 179.45 180.19 1gkq n LEU 325 N -4.46 0.00 0.16 2.94 4.77 -0.54 -2.50 117.00 117.38 1gkq n LEU 325 Ca 0.06 0.37 0.11 0.00 -0.03 0.00 0.00 56.01 56.53 1gkq n LEU 325 Cb 0.09 -0.37 0.60 0.00 -2.33 0.00 0.00 43.42 41.40 1gkq n LEU 325 CO 0.35 -0.25 0.84 0.18 -1.33 0.00 0.00 177.39 177.18 1gkq n LEU 326 N -1.37 0.59 -1.24 2.23 4.77 -0.43 -1.66 117.00 119.89 1gkq n LEU 326 Ca 0.04 0.76 -0.07 0.00 -0.03 0.00 0.00 56.01 56.70 1gkq n LEU 326 Cb 0.09 -0.82 0.14 0.00 -2.33 0.00 0.00 43.42 40.50 1gkq n LEU 326 CO 0.08 -0.93 0.41 0.61 -1.33 0.00 0.00 177.39 176.23 1gkq n GLY 327 N -1.15 5.55 0.28 -0.72 0.00 -1.04 -4.69 105.19 103.42 1gkq n GLY 327 Ca -0.01 -1.78 0.17 0.00 0.00 0.00 0.00 46.02 44.40 1gkq n GLY 327 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1gkq h LYS 328 N 1.43 0.00 0.16 1.61 2.10 -1.54 -3.05 116.57 117.28 1gkq h LYS 328 Ca 0.19 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.50 1gkq h LYS 328 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1gkq h LYS 328 CO 0.39 0.02 -1.73 0.93 -2.00 0.00 0.00 179.45 177.06 1gkq h GLU 329 N 0.00 0.34 -3.23 0.07 4.39 -1.84 -3.47 114.58 110.84 1gkq h GLU 329 Ca -0.00 -0.58 -0.22 0.00 0.34 0.00 0.00 59.36 58.90 1gkq h GLU 329 Cb 0.46 0.22 -0.30 0.00 -0.10 0.00 0.00 28.75 29.03 1gkq h GLU 329 CO 0.00 1.28 -0.56 0.00 -1.16 0.00 0.00 179.01 178.57 1gkq s ALA 330 N -2.55 -0.36 0.59 3.43 0.00 -1.15 -4.83 121.76 116.90 1gkq s ALA 330 Ca -0.18 0.70 0.29 0.00 0.00 0.00 0.00 51.96 52.77 1gkq s ALA 330 Cb 0.05 -0.45 1.70 0.00 0.00 0.00 0.00 23.12 24.42 1gkq s ALA 330 CO 0.82 -0.15 2.13 0.27 0.00 0.00 0.00 175.76 178.83 1gkq h PHE 331 N 6.94 0.00 0.00 0.00 -0.00 -1.37 -0.13 116.94 122.37 1gkq h PHE 331 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.58 1gkq h PHE 331 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.11 1gkq h PHE 331 CO 0.41 0.00 0.00 1.79 -0.00 0.00 0.00 178.31 180.51 1gkq h THR 332 N 0.00 0.00 -0.13 0.88 1.35 -1.88 -2.31 112.91 110.82 1gkq h THR 332 Ca 0.07 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1gkq h THR 332 Cb 0.41 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1gkq h THR 332 CO -0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1gkq n ALA 333 N -1.84 2.45 -2.60 6.62 0.00 -0.06 -4.90 120.51 120.18 1gkq n ALA 333 Ca 0.01 -0.78 -0.43 0.00 0.00 0.00 0.00 53.44 52.24 1gkq n ALA 333 Cb 0.17 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 18.78 1gkq n ALA 333 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1gkq s ILE 334 N -1.83 4.56 0.07 0.00 1.01 -0.87 -3.58 121.20 120.55 1gkq s ILE 334 Ca 0.31 1.86 -0.30 0.00 0.00 0.00 0.00 60.65 62.51 1gkq s ILE 334 Cb 0.21 -4.27 -0.10 0.00 0.01 0.00 0.00 42.46 38.31 1gkq s ILE 334 CO 0.30 -0.24 1.94 -0.81 0.00 0.00 0.00 174.94 176.13 1gkq n PRO 335 N 6.51 2.86 -2.43 2.79 -0.04 -1.26 -4.92 135.00 138.51 1gkq n PRO 335 Ca 0.12 1.05 -0.42 0.00 -0.04 0.00 0.00 63.50 64.21 1gkq n PRO 335 Cb 0.46 -2.98 -0.03 0.00 -0.04 0.00 0.00 33.50 30.90 1gkq n PRO 335 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1gkq s ASN 336 N 3.91 7.12 0.00 3.54 0.02 -1.26 -4.92 114.94 123.35 1gkq s ASN 336 Ca 0.87 2.08 0.00 0.00 -1.02 0.00 0.00 52.86 54.79 1gkq s ASN 336 Cb -0.45 -2.59 0.00 0.00 0.02 0.00 0.00 41.25 38.23 1gkq s ASN 336 CO 0.41 -0.40 0.00 0.61 0.02 0.00 0.00 177.10 177.73 1gkq n GLY 337 N 2.76 4.12 2.97 0.66 0.00 0.01 -4.89 105.19 110.83 1gkq n GLY 337 Ca 0.07 -0.82 -0.15 0.00 0.00 0.00 0.00 46.02 45.11 1gkq n GLY 337 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gkq s ILE 338 N -1.91 0.42 0.29 -0.61 1.01 -1.09 -4.66 121.20 114.66 1gkq s ILE 338 Ca 0.00 -0.36 -0.17 0.00 0.00 0.00 0.00 60.65 60.12 1gkq s ILE 338 Cb 0.00 -0.38 -0.09 0.00 0.01 0.00 0.00 42.46 42.00 1gkq s ILE 338 CO 0.00 0.03 0.75 -2.16 0.00 0.00 0.00 174.94 173.56 1gkq s PRO 339 N -0.36 4.13 0.00 2.79 0.04 -1.26 -1.89 135.00 138.45 1gkq s PRO 339 Ca -0.00 0.79 0.00 0.00 0.04 0.00 0.00 61.00 61.83 1gkq s PRO 339 Cb -0.03 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 31.92 1gkq s PRO 339 CO -0.00 0.23 0.00 0.00 0.04 0.00 0.00 177.00 177.27 1gkq n ALA 340 N 0.04 0.00 -0.14 8.56 0.00 -1.26 -4.41 120.51 123.30 1gkq n ALA 340 Ca 0.02 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.73 1gkq n ALA 340 Cb 0.52 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.69 1gkq n ALA 340 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1gkq h ILE 341 N 0.37 0.56 0.00 0.00 2.10 -1.93 -1.22 117.51 117.39 1gkq h ILE 341 Ca 0.00 0.00 -0.08 0.00 1.08 0.00 0.00 64.86 65.86 1gkq h ILE 341 Cb 0.19 0.58 -0.01 0.00 -1.09 0.00 0.00 36.82 36.48 1gkq h ILE 341 CO 0.00 0.00 -1.05 -0.08 -1.08 0.00 0.00 178.15 175.94 1gkq h GLU 342 N 0.00 0.00 0.00 2.19 4.81 -1.89 -3.39 114.58 116.29 1gkq h GLU 342 Ca 0.39 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1gkq h GLU 342 Cb 1.60 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.98 1gkq h GLU 342 CO -0.00 0.17 -0.94 -0.25 -0.73 0.00 0.00 179.01 177.25 1gkq n ASP 343 N -2.85 0.85 -0.15 1.04 8.00 -0.51 -4.12 116.55 118.81 1gkq n ASP 343 Ca -0.04 -0.87 -0.12 0.00 0.71 0.00 0.00 54.79 54.47 1gkq n ASP 343 Cb 0.69 1.06 -0.09 0.00 -0.02 0.00 0.00 41.12 42.76 1gkq n ASP 343 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1gkq h ARG 344 N 0.00 -0.32 -0.00 -1.24 2.43 -1.62 0.41 114.38 114.04 1gkq h ARG 344 Ca 0.00 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1gkq h ARG 344 Cb 0.47 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 1gkq h ARG 344 CO 0.00 -0.21 -0.12 0.28 -1.51 0.00 0.00 179.97 178.41 1gkq h VAL 345 N -0.33 0.71 -0.82 0.20 2.07 -1.84 0.65 116.25 116.89 1gkq h VAL 345 Ca 0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 1gkq h VAL 345 Cb 0.52 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1gkq h VAL 345 CO -0.56 0.00 0.46 0.78 0.02 0.00 0.00 177.57 178.26 1gkq h ASN 346 N -0.20 1.01 -0.26 0.57 2.35 -1.74 0.88 115.58 118.20 1gkq h ASN 346 Ca 0.04 -0.08 -0.07 0.00 -0.55 0.00 0.00 56.30 55.65 1gkq h ASN 346 Cb 0.25 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1gkq h ASN 346 CO -0.12 0.80 -0.10 -0.07 -1.65 0.00 0.00 177.43 176.29 1gkq h LEU 347 N 1.14 0.53 -0.54 1.61 3.38 -0.63 -0.75 115.31 120.05 1gkq h LEU 347 Ca 0.29 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1gkq h LEU 347 Cb 0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1gkq h LEU 347 CO -0.05 0.81 0.09 0.25 0.09 0.00 0.00 178.44 179.63 1gkq h LEU 348 N 0.25 0.85 -0.23 1.67 5.85 -0.60 -1.32 115.31 121.80 1gkq h LEU 348 Ca 0.06 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 1gkq h LEU 348 Cb 0.59 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1gkq h LEU 348 CO 0.03 0.90 0.07 0.22 -0.34 0.00 0.00 178.44 179.32 1gkq h TYR 349 N 0.78 0.37 0.78 1.25 3.20 -0.81 -0.22 116.97 122.32 1gkq h TYR 349 Ca 0.16 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 1gkq h TYR 349 Cb 0.40 -0.11 0.01 0.00 1.54 0.00 0.00 36.73 38.58 1gkq h TYR 349 CO 0.03 0.44 -0.38 1.15 -1.64 0.00 0.00 178.16 177.76 1gkq h THR 350 N 0.20 0.00 0.00 1.81 2.02 -0.98 0.36 112.91 116.31 1gkq h THR 350 Ca 0.07 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1gkq h THR 350 Cb 0.24 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1gkq h THR 350 CO -0.00 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.67 1gkq n TYR 351 N -5.22 0.39 -0.09 3.16 4.01 -0.51 -0.20 117.16 118.69 1gkq n TYR 351 Ca -0.13 0.11 -0.10 0.00 -0.16 0.00 0.00 57.90 57.62 1gkq n TYR 351 Cb 0.41 -0.68 -0.03 0.00 -0.31 0.00 0.00 39.34 38.73 1gkq n TYR 351 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gkq n GLY 352 N 1.38 -0.53 0.06 2.72 0.00 -0.10 -3.39 105.19 105.33 1gkq n GLY 352 Ca 0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.75 1gkq n GLY 352 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1gkq h VAL 353 N -0.99 0.04 -0.37 1.61 2.07 -1.15 -0.60 116.25 116.87 1gkq h VAL 353 Ca -0.04 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1gkq h VAL 353 Cb 1.02 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1gkq h VAL 353 CO -0.02 0.01 0.24 -1.28 0.02 0.00 0.00 177.57 176.54 1gkq h SER 354 N -1.00 0.44 -0.11 0.57 0.87 -0.89 -3.30 113.55 110.12 1gkq h SER 354 Ca -0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1gkq h SER 354 Cb 0.14 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1gkq h SER 354 CO -0.00 0.34 0.00 0.54 -0.53 0.00 0.00 176.83 177.17 1gkq n ARG 355 N -4.81 1.80 -0.13 2.24 1.74 0.72 -5.03 116.66 113.19 1gkq n ARG 355 Ca -0.00 -1.43 0.00 0.00 -0.77 0.00 0.00 57.85 55.65 1gkq n ARG 355 Cb 0.03 -1.12 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 1gkq n ARG 355 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gkq n GLY 356 N 0.10 7.29 1.04 -0.13 0.00 -1.00 -4.90 105.19 107.58 1gkq n GLY 356 Ca 0.05 -1.96 0.09 0.00 0.00 0.00 0.00 46.02 44.20 1gkq n GLY 356 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gkq n ARG 357 N 0.00 2.67 -2.38 1.61 1.74 -1.13 -4.73 116.66 114.44 1gkq n ARG 357 Ca 0.00 -2.34 -0.43 0.00 -0.77 0.00 0.00 57.85 54.31 1gkq n ARG 357 Cb 0.00 -1.44 -0.02 0.00 -1.02 0.00 0.00 32.46 29.98 1gkq n ARG 357 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1gkq s LEU 358 N -1.05 4.20 0.38 0.55 2.96 -0.26 -4.98 118.68 120.47 1gkq s LEU 358 Ca 0.37 1.75 -0.27 0.00 -0.22 0.00 0.00 54.13 55.76 1gkq s LEU 358 Cb 0.20 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 43.25 1gkq s LEU 358 CO 0.26 -0.77 1.35 -0.62 -1.32 0.00 0.00 176.35 175.25 1gkq s ASP 359 N 2.09 6.44 0.51 3.68 -1.08 -1.26 -4.03 116.67 123.02 1gkq s ASP 359 Ca 0.57 2.76 0.22 0.00 -0.52 0.00 0.00 52.55 55.58 1gkq s ASP 359 Cb -0.23 -2.65 1.36 0.00 -1.46 0.00 0.00 42.92 39.94 1gkq s ASP 359 CO 0.16 -0.77 2.09 -0.29 0.52 0.00 0.00 175.17 176.89 1gkq h ILE 360 N 2.74 0.80 0.06 4.11 2.10 -1.94 -1.40 117.51 123.98 1gkq h ILE 360 Ca -0.50 -0.39 -0.24 0.00 1.08 0.00 0.00 64.86 64.82 1gkq h ILE 360 Cb 1.24 1.23 -0.00 0.00 -1.09 0.00 0.00 36.82 38.19 1gkq h ILE 360 CO 0.64 0.10 -1.06 0.45 -1.08 0.00 0.00 178.15 177.20 1gkq h HIS 361 N 0.00 0.39 -0.04 2.19 3.86 -1.87 -2.72 115.15 116.96 1gkq h HIS 361 Ca -0.00 -0.25 -0.10 0.00 -1.16 0.00 0.00 60.37 58.86 1gkq h HIS 361 Cb 0.22 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 1gkq h HIS 361 CO 0.00 1.14 -0.43 -0.09 0.86 0.00 0.00 177.93 179.41 1gkq h ARG 362 N 0.10 0.10 -0.33 2.45 9.65 -1.72 -1.98 114.38 122.64 1gkq h ARG 362 Ca -0.08 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 58.73 1gkq h ARG 362 Cb 1.75 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.31 1gkq h ARG 362 CO 0.17 0.51 0.10 0.35 2.80 0.00 0.00 179.97 183.90 1gkq h PHE 363 N 0.08 0.53 -0.55 2.20 3.57 -1.15 0.90 116.94 122.52 1gkq h PHE 363 Ca 0.00 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.36 1gkq h PHE 363 Cb 0.80 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 1gkq h PHE 363 CO 0.01 0.53 -0.00 0.28 -2.23 0.00 0.00 178.31 176.89 1gkq h VAL 364 N 0.38 1.26 -0.39 1.41 2.07 -1.24 -1.27 116.25 118.47 1gkq h VAL 364 Ca 0.11 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 1gkq h VAL 364 Cb 0.25 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1gkq h VAL 364 CO -0.00 0.40 0.09 -0.78 0.02 0.00 0.00 177.57 177.30 1gkq h ASP 365 N 0.85 0.60 0.88 0.57 3.58 -1.17 0.12 116.42 121.86 1gkq h ASP 365 Ca 0.15 -0.24 -0.09 0.00 0.42 0.00 0.00 57.03 57.28 1gkq h ASP 365 Cb 0.54 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 1gkq h ASP 365 CO 0.03 0.69 -0.43 0.00 -2.88 0.00 0.00 179.24 176.64 1gkq h ALA 366 N 0.94 0.94 -0.02 -0.78 0.00 -0.73 -0.38 119.26 119.23 1gkq h ALA 366 Ca 0.12 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1gkq h ALA 366 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1gkq h ALA 366 CO 0.00 0.54 -0.24 0.00 0.00 0.00 0.00 179.25 179.56 1gkq n ALA 367 N -2.30 2.99 -0.10 0.00 0.00 -0.49 -1.19 120.51 119.42 1gkq n ALA 367 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1gkq n ALA 367 Cb 0.55 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.33 1gkq n ALA 367 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1gkq n SER 368 N 0.42 0.00 -0.12 0.00 2.88 0.01 -1.58 113.62 115.23 1gkq n SER 368 Ca 0.09 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.58 1gkq n SER 368 Cb 0.44 0.20 0.03 0.00 -0.75 0.00 0.00 64.21 64.13 1gkq n SER 368 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1gkq h THR 369 N 0.00 0.83 -0.42 2.46 2.02 -1.52 -2.65 112.91 113.62 1gkq h THR 369 Ca 0.00 -0.08 0.03 0.00 0.77 0.00 0.00 66.41 67.12 1gkq h THR 369 Cb 0.00 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 1gkq h THR 369 CO 0.00 0.04 0.23 0.50 0.37 0.00 0.00 175.52 176.66 1gkq h LYS 370 N 0.25 0.44 -0.72 6.66 1.63 -1.33 -1.03 116.57 122.47 1gkq h LYS 370 Ca 0.19 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.92 1gkq h LYS 370 Cb 0.20 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.70 1gkq h LYS 370 CO -0.22 0.29 0.28 0.00 -3.45 0.00 0.00 179.45 176.35 1gkq h ALA 371 N 1.21 1.13 -0.63 5.00 0.00 -1.75 -0.28 119.26 123.94 1gkq h ALA 371 Ca 0.18 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1gkq h ALA 371 Cb 0.06 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1gkq h ALA 371 CO -0.11 0.62 0.20 0.00 0.00 0.00 0.00 179.25 179.96 1gkq h ALA 372 N 1.26 1.16 0.03 0.00 0.00 -1.06 -1.74 119.26 118.90 1gkq h ALA 372 Ca 0.24 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1gkq h ALA 372 Cb 0.21 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1gkq h ALA 372 CO -0.02 0.58 -0.01 0.87 0.00 0.00 0.00 179.25 180.67 1gkq h LYS 373 N 0.93 -0.04 -0.92 0.00 1.57 -0.65 0.30 116.57 117.77 1gkq h LYS 373 Ca 0.21 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.01 1gkq h LYS 373 Cb 0.26 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 1gkq h LYS 373 CO -0.01 0.42 0.61 -0.07 -0.57 0.00 0.00 179.45 179.83 1gkq h LEU 374 N -0.51 1.03 -3.64 2.94 3.38 -0.97 -3.03 115.31 114.51 1gkq h LEU 374 Ca -0.00 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 1gkq h LEU 374 Cb 0.47 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 40.88 1gkq h LEU 374 CO 0.01 0.73 0.17 0.49 0.09 0.00 0.00 178.44 179.93 1gkq n PHE 375 N -4.41 2.16 -1.85 1.13 3.72 -0.67 -4.96 117.46 112.59 1gkq n PHE 375 Ca 0.11 -1.10 -0.15 0.00 -0.05 0.00 0.00 57.45 56.27 1gkq n PHE 375 Cb 0.05 -0.61 -0.04 0.00 -0.94 0.00 0.00 39.48 37.95 1gkq n PHE 375 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1gkq n GLY 376 N -0.10 0.66 0.03 1.37 0.00 -1.09 -4.88 105.19 101.18 1gkq n GLY 376 Ca 0.36 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 46.20 1gkq n GLY 376 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1gkq n LEU 377 N -1.90 0.59 -4.83 0.99 4.77 0.93 -4.69 117.00 112.87 1gkq n LEU 377 Ca -0.16 -0.03 -0.35 0.00 -0.03 0.00 0.00 56.01 55.44 1gkq n LEU 377 Cb 0.56 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 1gkq n LEU 377 CO 0.21 0.04 0.38 0.12 -1.33 0.00 0.00 177.39 176.82 1gkq s PHE 378 N -3.22 3.59 -2.28 -1.77 2.19 -0.45 0.20 117.98 116.23 1gkq s PHE 378 Ca 0.03 1.29 0.25 0.00 0.33 0.00 0.00 56.93 58.82 1gkq s PHE 378 Cb 0.14 -2.55 1.06 0.00 -1.31 0.00 0.00 43.02 40.36 1gkq s PHE 378 CO 0.81 0.31 1.73 -0.35 1.83 0.00 0.00 175.22 179.56 1gkq n PRO 379 N 0.54 1.51 -0.16 10.12 -0.04 -1.26 -4.85 135.00 140.86 1gkq n PRO 379 Ca -0.02 -0.75 -0.02 0.00 -0.04 0.00 0.00 63.50 62.67 1gkq n PRO 379 Cb 0.52 -1.42 0.07 0.00 -0.04 0.00 0.00 33.50 32.62 1gkq n PRO 379 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1gkq h ARG 380 N 1.66 0.25 -5.43 0.54 2.43 -1.80 -3.43 114.38 108.60 1gkq h ARG 380 Ca 0.00 -0.01 -0.64 0.00 -0.81 0.00 0.00 59.98 58.51 1gkq h ARG 380 Cb 0.36 -0.06 -0.13 0.00 -0.42 0.00 0.00 29.97 29.72 1gkq h ARG 380 CO 0.00 0.16 -0.56 0.15 -1.51 0.00 0.00 179.97 178.21 1gkq s LYS 381 N -6.13 2.04 0.00 0.20 -0.14 0.13 -1.78 119.74 114.06 1gkq s LYS 381 Ca -0.13 -2.22 0.00 0.00 -1.36 0.00 0.00 55.97 52.25 1gkq s LYS 381 Cb 0.16 -1.53 0.00 0.00 -1.68 0.00 0.00 37.83 34.78 1gkq s LYS 381 CO 0.73 -0.20 0.00 0.41 -0.76 0.00 0.00 175.35 175.53 1gkq n GLY 382 N -1.08 0.83 3.84 -3.33 0.00 -1.26 -4.11 105.19 100.09 1gkq n GLY 382 Ca -0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 1gkq n GLY 382 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1gkq s THR 383 N -3.22 0.00 -0.28 2.61 -1.32 -1.26 -3.67 115.64 108.49 1gkq s THR 383 Ca 0.00 -0.99 -0.01 0.00 -1.21 0.00 0.00 61.69 59.48 1gkq s THR 383 Cb 0.00 -2.26 0.05 0.00 -1.51 0.00 0.00 72.50 68.78 1gkq s THR 383 CO 0.00 0.00 -0.03 -0.63 -2.21 0.00 0.00 174.62 171.75 1gkq s ILE 384 N -3.43 2.79 -0.11 5.08 1.01 -1.26 -4.85 121.20 120.43 1gkq s ILE 384 Ca 0.12 -1.40 -0.30 0.00 0.00 0.00 0.00 60.65 59.08 1gkq s ILE 384 Cb -0.06 -2.59 0.11 0.00 0.01 0.00 0.00 42.46 39.94 1gkq s ILE 384 CO 0.08 -0.05 0.93 0.00 0.00 0.00 0.00 174.94 175.91 1gkq s ALA 385 N 1.23 -1.89 0.19 9.38 0.00 -1.26 -5.05 121.76 124.36 1gkq s ALA 385 Ca -0.05 1.41 -0.33 0.00 0.00 0.00 0.00 51.96 52.99 1gkq s ALA 385 Cb -0.19 -0.35 -0.14 0.00 0.00 0.00 0.00 23.12 22.44 1gkq s ALA 385 CO -0.02 -0.41 1.44 0.28 0.00 0.00 0.00 175.76 177.05 1gkq n VAL 386 N 0.50 0.53 0.00 0.00 0.31 -1.26 -1.28 118.33 117.13 1gkq n VAL 386 Ca -0.11 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1gkq n VAL 386 Cb 0.59 -1.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.13 1gkq n VAL 386 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1gkq n GLY 387 N 2.61 3.00 3.83 2.92 0.00 -0.48 -4.98 105.19 112.09 1gkq n GLY 387 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1gkq n GLY 387 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gkq s SER 388 N -0.10 6.03 0.40 1.61 0.01 -0.41 -4.71 113.70 116.53 1gkq s SER 388 Ca 0.00 1.60 -0.27 0.00 1.31 0.00 0.00 55.95 58.59 1gkq s SER 388 Cb 0.00 -2.50 -0.09 0.00 0.21 0.00 0.00 66.02 63.63 1gkq s SER 388 CO 0.00 -1.00 1.38 -1.81 0.41 0.00 0.00 173.24 172.22 1gkq s ASP 389 N -3.46 6.30 -1.32 2.44 1.01 -0.73 -0.97 116.67 119.93 1gkq s ASP 389 Ca 0.59 2.82 -0.08 0.00 0.71 0.00 0.00 52.55 56.59 1gkq s ASP 389 Cb -0.13 -2.65 -0.08 0.00 1.01 0.00 0.00 42.92 41.07 1gkq s ASP 389 CO 0.44 -0.88 2.69 0.00 0.21 0.00 0.00 175.17 177.63 1gkq n ALA 390 N 0.26 6.53 -2.87 5.23 0.00 0.10 -4.71 120.51 125.05 1gkq n ALA 390 Ca 0.03 -2.92 -0.44 0.00 0.00 0.00 0.00 53.44 50.10 1gkq n ALA 390 Cb 0.42 -3.20 -0.07 0.00 0.00 0.00 0.00 19.45 16.59 1gkq n ALA 390 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1gkq s ASP 391 N 2.59 6.18 0.15 0.00 1.11 -1.26 -1.77 116.67 123.67 1gkq s ASP 391 Ca 0.59 -1.21 0.06 0.00 0.18 0.00 0.00 52.55 52.17 1gkq s ASP 391 Cb 0.16 -2.23 -0.04 0.00 1.07 0.00 0.00 42.92 41.88 1gkq s ASP 391 CO -0.05 -0.76 -0.14 -0.76 1.18 0.00 0.00 175.17 174.64 1gkq s LEU 392 N 2.03 2.47 -0.22 1.23 1.43 -1.10 -1.27 118.68 123.26 1gkq s LEU 392 Ca 0.08 -0.90 -0.02 0.00 -1.03 0.00 0.00 54.13 52.25 1gkq s LEU 392 Cb -0.23 -0.55 0.07 0.00 0.03 0.00 0.00 46.19 45.50 1gkq s LEU 392 CO 0.08 -0.18 0.04 -0.69 0.23 0.00 0.00 176.35 175.83 1gkq s VAL 393 N -2.57 0.63 -0.49 -1.59 1.01 -0.60 -1.04 120.40 115.74 1gkq s VAL 393 Ca 0.14 -0.73 -0.26 0.00 0.00 0.00 0.00 61.98 61.13 1gkq s VAL 393 Cb -0.02 -1.18 0.03 0.00 0.00 0.00 0.00 36.38 35.21 1gkq s VAL 393 CO 0.04 -0.29 0.96 -0.69 0.00 0.00 0.00 175.10 175.12 1gkq s VAL 394 N 1.80 4.41 -0.17 2.92 1.01 0.70 -1.13 120.40 129.94 1gkq s VAL 394 Ca 0.00 0.69 -0.09 0.00 0.00 0.00 0.00 61.98 62.58 1gkq s VAL 394 Cb -0.17 -4.48 -0.05 0.00 0.00 0.00 0.00 36.38 31.68 1gkq s VAL 394 CO -0.11 -0.94 0.13 -0.47 0.00 0.00 0.00 175.10 173.71 1gkq s TYR 395 N 3.91 3.46 -0.45 5.22 5.04 0.13 -0.16 117.35 134.50 1gkq s TYR 395 Ca 0.37 0.38 -0.14 0.00 -2.44 0.00 0.00 57.07 55.23 1gkq s TYR 395 Cb -0.10 -2.08 0.06 0.00 0.35 0.00 0.00 41.96 40.19 1gkq s TYR 395 CO 0.25 0.43 0.35 0.34 -1.34 0.00 0.00 175.55 175.58 1gkq s ASP 396 N -0.10 6.05 0.00 4.32 2.15 -0.53 -1.31 116.67 127.24 1gkq s ASP 396 Ca 0.10 -1.27 0.31 0.00 0.43 0.00 0.00 52.55 52.12 1gkq s ASP 396 Cb -0.11 -2.14 1.75 0.00 -0.30 0.00 0.00 42.92 42.11 1gkq s ASP 396 CO 0.00 -0.59 2.15 -0.81 -0.17 0.00 0.00 175.17 175.75 1gkq n PRO 397 N 5.15 0.79 0.03 4.34 -0.04 -1.26 -2.89 135.00 141.11 1gkq n PRO 397 Ca -0.12 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.46 1gkq n PRO 397 Cb 0.44 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.45 1gkq n PRO 397 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1gkq n GLN 398 N -1.10 0.26 -2.08 0.54 1.13 -1.26 -4.72 117.38 110.14 1gkq n GLN 398 Ca 0.20 0.01 -0.39 0.00 -1.94 0.00 0.00 57.00 54.88 1gkq n GLN 398 Cb 0.15 -1.59 -0.00 0.00 0.11 0.00 0.00 30.24 28.91 1gkq n GLN 398 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1gkq s TYR 399 N -3.17 2.78 -0.05 1.08 5.04 -1.20 -4.98 117.35 116.85 1gkq s TYR 399 Ca 0.05 1.45 -0.02 0.00 -2.44 0.00 0.00 57.07 56.11 1gkq s TYR 399 Cb 0.15 -3.59 0.04 0.00 0.35 0.00 0.00 41.96 38.90 1gkq s TYR 399 CO 0.79 -2.00 0.10 1.03 -1.34 0.00 0.00 175.55 174.13 1gkq s ARG 400 N -2.45 0.03 0.00 4.97 1.81 -1.26 -2.72 118.95 119.33 1gkq s ARG 400 Ca 0.61 0.30 0.00 0.00 -1.72 0.00 0.00 55.73 54.92 1gkq s ARG 400 Cb -0.35 -0.22 0.00 0.00 -0.45 0.00 0.00 34.95 33.93 1gkq s ARG 400 CO 0.44 -0.17 0.00 0.41 -0.68 0.00 0.00 175.30 175.30 1gkq n GLY 401 N 4.24 1.59 3.06 -3.53 0.00 -1.07 -5.02 105.19 104.45 1gkq n GLY 401 Ca -0.26 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 1gkq n GLY 401 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1gkq s THR 402 N -2.58 0.52 0.19 2.61 -4.23 -1.26 -1.46 115.64 109.42 1gkq s THR 402 Ca 0.00 -1.08 -0.27 0.00 -1.18 0.00 0.00 61.69 59.16 1gkq s THR 402 Cb 0.00 -0.60 -0.08 0.00 1.34 0.00 0.00 72.50 73.16 1gkq s THR 402 CO 0.00 -0.39 0.83 -0.63 -0.54 0.00 0.00 174.62 173.89 1gkq s ILE 403 N -1.40 4.29 -0.06 2.99 1.01 0.56 -4.94 121.20 123.64 1gkq s ILE 403 Ca -0.10 1.83 -0.22 0.00 0.00 0.00 0.00 60.65 62.16 1gkq s ILE 403 Cb -0.10 -4.20 0.05 0.00 0.01 0.00 0.00 42.46 38.22 1gkq s ILE 403 CO 0.00 0.51 0.49 -0.55 0.00 0.00 0.00 174.94 175.40 1gkq s SER 404 N -1.12 -0.44 0.47 3.58 0.15 -1.26 -0.40 113.70 114.69 1gkq s SER 404 Ca 0.38 0.50 0.19 0.00 0.70 0.00 0.00 55.95 57.72 1gkq s SER 404 Cb -0.24 0.53 1.15 0.00 -1.71 0.00 0.00 66.02 65.75 1gkq s SER 404 CO 0.28 -0.47 2.01 1.62 1.20 0.00 0.00 173.24 177.88 1gkq h VAL 405 N 3.60 0.93 0.00 4.45 3.04 -1.93 -2.08 116.25 124.26 1gkq h VAL 405 Ca -0.28 -0.65 0.00 0.00 -1.01 0.00 0.00 66.70 64.76 1gkq h VAL 405 Cb 1.16 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 31.81 1gkq h VAL 405 CO 0.36 0.17 0.00 0.11 -1.01 0.00 0.00 177.57 177.20 1gkq h LYS 406 N 0.00 0.00 0.00 4.17 1.57 -1.98 -2.79 116.57 117.54 1gkq h LYS 406 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1gkq h LYS 406 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1gkq h LYS 406 CO 0.02 0.00 -0.01 0.25 -0.57 0.00 0.00 179.45 179.14 1gkq n THR 407 N -2.94 0.81 -2.26 -0.16 -2.24 -0.80 -5.07 114.28 101.62 1gkq n THR 407 Ca -0.02 -0.84 -0.26 0.00 -2.27 0.00 0.00 64.05 60.66 1gkq n THR 407 Cb 0.10 0.56 0.05 0.00 -2.10 0.00 0.00 70.33 68.95 1gkq n THR 407 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gkq s GLN 408 N -0.88 2.47 0.00 -0.78 -2.07 -1.06 -4.98 119.66 112.37 1gkq s GLN 408 Ca 0.02 -0.16 0.01 0.00 -1.82 0.00 0.00 55.36 53.41 1gkq s GLN 408 Cb 0.02 -2.21 0.02 0.00 -1.09 0.00 0.00 33.01 29.75 1gkq s GLN 408 CO 0.00 -1.04 0.79 0.72 -1.32 0.00 0.00 175.29 174.44 1gkq n HIS 409 N -2.80 0.02 -2.46 9.60 8.25 -1.26 -5.00 115.22 121.57 1gkq n HIS 409 Ca 0.07 -0.26 -0.41 0.00 -0.26 0.00 0.00 57.72 56.86 1gkq n HIS 409 Cb 0.59 -0.02 -0.04 0.00 1.12 0.00 0.00 29.99 31.64 1gkq n HIS 409 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1gkq s VAL 410 N -0.56 3.86 0.00 1.59 1.01 -1.26 -4.62 120.40 120.43 1gkq s VAL 410 Ca 0.02 1.51 -0.03 0.00 0.00 0.00 0.00 61.98 63.47 1gkq s VAL 410 Cb 0.01 -3.96 -0.15 0.00 0.00 0.00 0.00 36.38 32.28 1gkq s VAL 410 CO 0.01 0.21 2.33 -3.20 0.00 0.00 0.00 175.10 174.45 1gkq n ASN 411 N 2.87 3.24 -3.77 3.32 5.15 -1.26 -4.80 115.26 120.01 1gkq n ASN 411 Ca 0.05 -2.08 -0.14 0.00 -0.60 0.00 0.00 54.58 51.80 1gkq n ASN 411 Cb 0.46 -0.86 -0.08 0.00 -0.53 0.00 0.00 39.78 38.77 1gkq n ASN 411 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1gkq s ASN 412 N 2.35 0.72 -0.06 1.20 4.22 -1.26 -4.56 114.94 117.55 1gkq s ASN 412 Ca 0.38 -1.47 0.15 0.00 -2.14 0.00 0.00 52.86 49.78 1gkq s ASN 412 Cb 0.18 0.50 0.55 0.00 1.28 0.00 0.00 41.25 43.76 1gkq s ASN 412 CO 0.00 -1.01 1.44 -0.90 -2.04 0.00 0.00 177.10 174.59 1gkq n ASP 413 N -0.86 3.59 -3.57 3.54 5.75 -1.26 -4.95 116.55 118.79 1gkq n ASP 413 Ca 0.03 -2.23 -0.14 0.00 -0.01 0.00 0.00 54.79 52.43 1gkq n ASP 413 Cb 0.64 -0.47 -0.06 0.00 -1.03 0.00 0.00 41.12 40.20 1gkq n ASP 413 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 1gkq s TYR 414 N -1.60 -0.45 -0.11 2.11 1.13 -1.26 -4.91 117.35 112.26 1gkq s TYR 414 Ca 0.40 0.57 0.02 0.00 -1.41 0.00 0.00 57.07 56.64 1gkq s TYR 414 Cb 0.24 0.34 -0.01 0.00 -1.10 0.00 0.00 41.96 41.43 1gkq s TYR 414 CO 0.22 -0.63 -0.16 1.21 -2.51 0.00 0.00 175.55 173.68 1gkq s ASN 415 N -1.82 3.82 0.57 -0.18 3.84 -1.26 -4.89 114.94 115.02 1gkq s ASN 415 Ca -0.07 -0.35 0.35 0.00 0.21 0.00 0.00 52.86 53.00 1gkq s ASN 415 Cb -0.01 -1.38 1.59 0.00 -0.55 0.00 0.00 41.25 40.90 1gkq s ASN 415 CO 0.00 0.20 2.07 1.23 -2.79 0.00 0.00 177.10 177.82 1gkq h GLY 416 N 6.40 0.00 -2.58 1.21 0.00 -1.94 -3.01 103.07 103.15 1gkq h GLY 416 Ca -0.29 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.73 1gkq h GLY 416 CO 0.53 0.00 -0.19 0.69 0.00 0.00 0.00 176.54 177.57 1gkq n PHE 417 N -3.18 1.62 -1.66 5.60 3.72 -1.26 -5.04 117.46 117.26 1gkq n PHE 417 Ca -0.01 -1.90 -0.52 0.00 -0.05 0.00 0.00 57.45 54.97 1gkq n PHE 417 Cb 0.25 -0.54 -0.06 0.00 -0.94 0.00 0.00 39.48 38.19 1gkq n PHE 417 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1gkq n GLU 418 N -1.01 1.47 0.00 -1.08 4.07 -1.14 -1.06 120.64 121.90 1gkq n GLU 418 Ca 0.38 0.54 0.00 0.00 -0.06 0.00 0.00 57.16 58.02 1gkq n GLU 418 Cb 0.95 -2.25 0.00 0.00 -0.06 0.00 0.00 31.44 30.09 1gkq n GLU 418 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1gkq n GLY 419 N 3.54 2.17 3.77 8.31 0.00 0.47 -5.00 105.19 118.44 1gkq n GLY 419 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1gkq n GLY 419 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gkq s PHE 420 N -2.31 2.87 0.32 1.61 0.40 -0.22 -4.66 117.98 115.98 1gkq s PHE 420 Ca 0.00 1.21 -0.13 0.00 -0.60 0.00 0.00 56.93 57.41 1gkq s PHE 420 Cb 0.00 -3.85 -0.08 0.00 0.51 0.00 0.00 43.02 39.60 1gkq s PHE 420 CO 0.00 -2.52 0.70 -1.21 0.70 0.00 0.00 175.22 172.88 1gkq s GLU 421 N -1.52 3.92 -0.01 0.44 2.02 -1.26 -0.32 118.70 121.97 1gkq s GLU 421 Ca 0.53 0.54 0.02 0.00 0.02 0.00 0.00 54.97 56.09 1gkq s GLU 421 Cb -0.43 -2.47 -0.01 0.00 0.10 0.00 0.00 34.13 31.32 1gkq s GLU 421 CO 0.54 0.16 -0.08 0.96 0.02 0.00 0.00 175.26 176.86 1gkq s ILE 422 N -2.01 0.64 -0.47 -1.63 -4.36 -0.53 -4.91 121.20 107.92 1gkq s ILE 422 Ca 0.52 -0.35 0.03 0.00 -0.26 0.00 0.00 60.65 60.59 1gkq s ILE 422 Cb -0.10 -0.54 0.60 0.00 1.25 0.00 0.00 42.46 43.67 1gkq s ILE 422 CO 0.20 0.18 1.88 0.47 0.24 0.00 0.00 174.94 177.91 1gkq n ASP 423 N 2.87 4.44 0.00 4.36 8.00 -1.26 -2.61 116.55 132.36 1gkq n ASP 423 Ca -0.13 -3.67 0.00 0.00 0.71 0.00 0.00 54.79 51.70 1gkq n ASP 423 Cb 0.57 -0.84 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 1gkq n ASP 423 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gkq n GLY 424 N -1.09 0.58 3.57 0.44 0.00 -1.10 -4.58 105.19 103.00 1gkq n GLY 424 Ca 0.57 -0.94 -0.06 0.00 0.00 0.00 0.00 46.02 45.59 1gkq n GLY 424 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1gkq s ARG 425 N -2.00 0.46 0.19 1.61 1.70 -1.14 -4.89 118.95 114.88 1gkq s ARG 425 Ca 0.00 -0.14 -0.30 0.00 -0.47 0.00 0.00 55.73 54.82 1gkq s ARG 425 Cb 0.00 0.21 -0.08 0.00 -0.57 0.00 0.00 34.95 34.51 1gkq s ARG 425 CO 0.00 -0.19 1.24 -2.14 -1.08 0.00 0.00 175.30 173.13 1gkq s PRO 426 N -2.43 4.45 -0.26 3.89 0.02 -1.26 -1.46 135.00 137.95 1gkq s PRO 426 Ca 0.07 1.94 -0.06 0.00 0.02 0.00 0.00 61.00 62.97 1gkq s PRO 426 Cb -0.01 -3.22 -0.16 0.00 0.02 0.00 0.00 34.50 31.13 1gkq s PRO 426 CO -0.06 -0.16 -0.22 0.45 -0.33 0.00 0.00 177.00 176.69 1gkq n SER 427 N 2.57 1.98 -3.90 2.53 2.88 0.78 -4.49 113.62 115.96 1gkq n SER 427 Ca 0.05 0.11 -0.16 0.00 -1.33 0.00 0.00 58.87 57.54 1gkq n SER 427 Cb 0.44 -0.64 -0.15 0.00 -0.75 0.00 0.00 64.21 63.11 1gkq n SER 427 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1gkq s VAL 428 N -2.51 0.31 -0.05 2.46 1.01 -1.01 -0.14 120.40 120.46 1gkq s VAL 428 Ca -0.35 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.55 1gkq s VAL 428 Cb 0.11 -0.31 0.02 0.00 0.00 0.00 0.00 36.38 36.20 1gkq s VAL 428 CO 0.57 0.12 -0.07 -0.69 0.00 0.00 0.00 175.10 175.03 1gkq s VAL 429 N 0.35 0.74 0.16 2.92 1.01 -0.44 -0.22 120.40 124.92 1gkq s VAL 429 Ca -0.04 -0.25 0.10 0.00 0.00 0.00 0.00 61.98 61.80 1gkq s VAL 429 Cb -0.07 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 1gkq s VAL 429 CO -0.01 0.27 -0.23 0.42 0.00 0.00 0.00 175.10 175.55 1gkq s THR 430 N 0.79 2.14 -0.20 3.92 -4.23 -0.21 -0.24 115.64 117.61 1gkq s THR 430 Ca -0.13 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1gkq s THR 430 Cb -0.15 -1.96 0.05 0.00 1.34 0.00 0.00 72.50 71.78 1gkq s THR 430 CO 0.01 -0.10 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.25 1gkq s VAL 431 N -1.52 1.38 -1.42 2.29 1.01 0.28 -2.70 120.40 119.72 1gkq s VAL 431 Ca 0.16 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.20 1gkq s VAL 431 Cb -0.08 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.72 1gkq s VAL 431 CO 0.08 0.05 0.38 0.54 0.00 0.00 0.00 175.10 176.14 1gkq n ARG 432 N 4.76 -3.10 -0.37 2.72 1.74 -1.12 -1.67 116.66 119.61 1gkq n ARG 432 Ca -0.13 0.38 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 1gkq n ARG 432 Cb 0.46 -4.45 0.00 0.00 -1.02 0.00 0.00 32.46 27.45 1gkq n ARG 432 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gkq n GLY 433 N -2.03 1.69 3.43 -0.13 0.00 -0.73 -4.15 105.19 103.27 1gkq n GLY 433 Ca -0.31 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 1gkq n GLY 433 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1gkq s LYS 434 N -0.20 3.54 0.04 1.61 2.20 -0.67 -4.74 119.74 121.52 1gkq s LYS 434 Ca 0.00 -0.59 -0.31 0.00 -0.36 0.00 0.00 55.97 54.72 1gkq s LYS 434 Cb 0.00 -2.84 -0.07 0.00 -1.51 0.00 0.00 37.83 33.41 1gkq s LYS 434 CO 0.00 0.17 1.52 0.08 -0.36 0.00 0.00 175.35 176.77 1gkq s VAL 435 N 0.51 3.33 -0.06 4.02 1.01 -1.26 -0.56 120.40 127.40 1gkq s VAL 435 Ca -0.05 0.78 0.10 0.00 0.00 0.00 0.00 61.98 62.80 1gkq s VAL 435 Cb -0.15 -3.50 -0.14 0.00 0.00 0.00 0.00 36.38 32.59 1gkq s VAL 435 CO 0.03 0.00 0.13 0.00 0.00 0.00 0.00 175.10 175.26 1gkq n ALA 436 N 5.35 2.05 -3.72 5.51 0.00 0.67 -4.55 120.51 125.82 1gkq n ALA 436 Ca 0.14 -0.46 -0.21 0.00 0.00 0.00 0.00 53.44 52.91 1gkq n ALA 436 Cb 0.42 -0.15 -0.18 0.00 0.00 0.00 0.00 19.45 19.55 1gkq n ALA 436 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1gkq s VAL 437 N -2.47 0.12 -0.16 0.00 1.01 -0.85 -0.64 120.40 117.41 1gkq s VAL 437 Ca -0.04 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1gkq s VAL 437 Cb 0.05 -0.31 0.03 0.00 0.00 0.00 0.00 36.38 36.15 1gkq s VAL 437 CO 0.42 0.20 -0.10 -0.60 0.00 0.00 0.00 175.10 175.02 1gkq s ARG 438 N 1.91 1.92 -1.37 2.72 3.52 -0.35 -1.33 118.95 125.97 1gkq s ARG 438 Ca 0.03 -0.56 -0.01 0.00 -0.13 0.00 0.00 55.73 55.06 1gkq s ARG 438 Cb -0.12 -2.06 -0.00 0.00 -1.56 0.00 0.00 34.95 31.21 1gkq s ARG 438 CO -0.04 -0.33 0.50 -0.25 -0.81 0.00 0.00 175.30 174.38 1gkq n ASP 439 N 4.80 -0.74 0.00 -2.12 8.00 0.80 -1.01 116.55 126.28 1gkq n ASP 439 Ca -0.15 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.39 1gkq n ASP 439 Cb 0.49 -3.31 0.00 0.00 -0.02 0.00 0.00 41.12 38.28 1gkq n ASP 439 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gkq n GLY 440 N -1.87 0.36 3.57 0.44 0.00 -1.24 -4.99 105.19 101.45 1gkq n GLY 440 Ca -0.30 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 1gkq n GLY 440 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gkq s GLN 441 N -0.73 3.72 -0.24 1.61 -1.52 -0.18 -5.08 119.66 117.23 1gkq s GLN 441 Ca 0.00 -0.44 -0.25 0.00 -1.95 0.00 0.00 55.36 52.72 1gkq s GLN 441 Cb 0.00 -3.02 -0.00 0.00 -0.22 0.00 0.00 33.01 29.77 1gkq s GLN 441 CO 0.00 0.31 0.86 0.12 -0.25 0.00 0.00 175.29 176.33 1gkq s PHE 442 N 0.22 3.31 -0.12 0.91 5.36 -1.26 -1.22 117.98 125.18 1gkq s PHE 442 Ca 0.00 1.18 0.16 0.00 -0.96 0.00 0.00 56.93 57.31 1gkq s PHE 442 Cb -0.13 -3.10 0.37 0.00 -0.34 0.00 0.00 43.02 39.82 1gkq s PHE 442 CO 0.02 -0.42 1.18 1.33 -1.46 0.00 0.00 175.22 175.86 1gkq n VAL 443 N 5.28 1.29 -1.11 3.12 0.24 0.19 -4.99 118.33 122.35 1gkq n VAL 443 Ca 0.07 -2.13 -0.31 0.00 -2.04 0.00 0.00 64.34 59.92 1gkq n VAL 443 Cb 0.47 0.21 0.11 0.00 -1.47 0.00 0.00 33.84 33.16 1gkq n VAL 443 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1gkq s GLY 444 N -2.61 1.69 -0.23 7.63 0.00 -0.97 -4.71 107.32 108.12 1gkq s GLY 444 Ca 0.33 0.37 -0.06 0.00 0.00 0.00 0.00 44.72 45.35 1gkq s GLY 444 CO -0.08 0.73 0.04 1.85 0.00 0.00 0.00 173.10 175.64 1gkq s GLU 445 N -4.82 3.64 0.30 2.90 2.12 -1.26 -5.08 118.70 116.50 1gkq s GLU 445 Ca 0.63 -0.49 -0.30 0.00 0.36 0.00 0.00 54.97 55.17 1gkq s GLU 445 Cb -0.19 -3.22 -0.12 0.00 0.26 0.00 0.00 34.13 30.86 1gkq s GLU 445 CO 0.56 -0.11 1.48 1.63 -0.54 0.00 0.00 175.26 178.28 1gkq n LYS 446 N 4.65 2.42 -0.94 4.30 5.02 -1.26 -2.19 118.16 130.16 1gkq n LYS 446 Ca -0.17 0.86 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 1gkq n LYS 446 Cb 0.51 -2.57 0.00 0.00 -0.02 0.00 0.00 35.03 32.96 1gkq n LYS 446 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1gkq n GLY 447 N 1.68 0.70 0.26 0.72 0.00 -1.19 -4.89 105.19 102.47 1gkq n GLY 447 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 1gkq n GLY 447 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1gkq h TRP 448 N 0.00 0.76 -3.95 1.61 -0.00 -1.39 -3.43 115.95 109.55 1gkq h TRP 448 Ca 0.00 -0.16 -0.54 0.00 -0.00 0.00 0.00 58.89 58.19 1gkq h TRP 448 Cb 0.05 -0.19 0.10 0.00 -0.00 0.00 0.00 29.16 29.13 1gkq h TRP 448 CO 0.03 0.83 0.72 0.20 -0.00 0.00 0.00 178.44 180.23 1gkq s GLY 449 N -3.89 2.95 0.32 2.65 0.00 0.63 -4.88 107.32 105.10 1gkq s GLY 449 Ca -0.08 1.47 0.10 0.00 0.00 0.00 0.00 44.72 46.20 1gkq s GLY 449 CO 0.82 2.12 -0.12 0.54 0.00 0.00 0.00 173.10 176.45 1gkq s LYS 450 N -2.15 1.77 -0.09 2.90 -0.14 -1.26 -4.68 119.74 116.08 1gkq s LYS 450 Ca 0.55 -1.88 -0.25 0.00 -1.36 0.00 0.00 55.97 53.02 1gkq s LYS 450 Cb -0.44 -1.70 -0.03 0.00 -1.68 0.00 0.00 37.83 33.98 1gkq s LYS 450 CO 0.59 0.19 0.78 -1.17 -0.76 0.00 0.00 175.35 174.97 1gkq s LEU 451 N -3.57 4.28 -0.27 3.17 2.96 -1.26 -1.62 118.68 122.36 1gkq s LEU 451 Ca 0.32 1.25 -0.16 0.00 -0.22 0.00 0.00 54.13 55.31 1gkq s LEU 451 Cb 0.00 -3.20 -0.03 0.00 0.50 0.00 0.00 46.19 43.47 1gkq s LEU 451 CO 0.16 -0.23 0.43 -0.76 -1.32 0.00 0.00 176.35 174.63 1gkq s LEU 452 N 1.26 4.06 -0.08 -0.68 1.43 0.85 -4.94 118.68 120.57 1gkq s LEU 452 Ca 0.40 0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 53.73 1gkq s LEU 452 Cb -0.18 -2.51 -0.05 0.00 0.03 0.00 0.00 46.19 43.48 1gkq s LEU 452 CO 0.18 -0.23 0.31 -0.13 0.23 0.00 0.00 176.35 176.70 1gkq s ARG 453 N 2.17 3.93 0.31 1.70 0.52 -1.26 -4.72 118.95 121.60 1gkq s ARG 453 Ca 0.17 0.18 0.09 0.00 -0.52 0.00 0.00 55.73 55.65 1gkq s ARG 453 Cb -0.16 -3.29 -0.05 0.00 0.52 0.00 0.00 34.95 31.98 1gkq s ARG 453 CO 0.10 0.55 0.03 1.03 0.02 0.00 0.00 175.30 177.03 1gkq s ARG 454 N -0.50 2.22 -0.13 3.54 3.00 0.97 -5.02 118.95 123.02 1gkq s ARG 454 Ca 0.19 -1.58 -0.03 0.00 0.00 0.00 0.00 55.73 54.31 1gkq s ARG 454 Cb -0.14 -2.07 -0.03 0.00 0.00 0.00 0.00 34.95 32.71 1gkq s ARG 454 CO 0.08 0.22 -0.02 -1.21 0.00 0.00 0.00 175.30 174.36 1gkq s GLU 455 N -3.73 3.44 0.45 3.54 0.41 -1.26 -4.52 118.70 117.04 1gkq s GLU 455 Ca 0.34 -0.47 -0.24 0.00 -0.41 0.00 0.00 54.97 54.18 1gkq s GLU 455 Cb -0.03 -2.89 -0.08 0.00 -1.78 0.00 0.00 34.13 29.36 1gkq s GLU 455 CO 0.20 0.40 1.31 -2.14 -0.49 0.00 0.00 175.26 174.55 1gkq s PRO 456 N -0.07 3.71 0.00 0.39 0.02 -1.26 -4.87 135.00 132.91 1gkq s PRO 456 Ca 0.03 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.20 1gkq s PRO 456 Cb -0.13 -2.57 0.00 0.00 0.02 0.00 0.00 34.50 31.82 1gkq s PRO 456 CO 0.02 -0.71 0.01 0.00 -0.33 0.00 0.00 177.00 176.00 1gkq n MET 457 N -0.28 0.00 -3.35 5.54 0.00 -0.93 -4.98 117.12 113.12 1gkq n MET 457 Ca 0.06 -0.01 -0.36 0.00 0.00 0.00 0.00 57.70 57.38 1gkq n MET 457 Cb 0.44 -0.48 -0.04 0.00 0.00 0.00 0.00 33.22 33.15 1gkq n MET 457 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1gkq n TYR 458 N 0.00 3.48 1.62 3.17 4.02 -0.27 -5.05 117.16 124.13 1gkq n TYR 458 Ca 0.00 -3.61 0.14 0.00 -0.01 0.00 0.00 57.90 54.43 1gkq n TYR 458 Cb 0.26 -1.06 0.62 0.00 -0.02 0.00 0.00 39.34 39.15 1gkq n TYR 458 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04