#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gjx n GLY -1 N 0.00 1.43 0.22 1.47 0.00 -1.26 -4.72 105.19 102.33 3gjx n GLY -1 Ca 0.00 -1.45 0.10 0.00 0.00 0.00 0.00 46.02 44.67 3gjx n GLY -1 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3gjx h SER 0 N 0.00 0.00 -0.01 1.61 4.64 -2.05 -1.20 113.55 116.54 3gjx h SER 0 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3gjx h SER 0 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3gjx h SER 0 CO 0.00 0.23 -0.21 0.24 -0.87 0.00 0.00 176.83 176.22 3gjx h MET 1 N 0.00 0.16 -0.76 4.77 2.86 -1.98 -2.06 114.93 117.92 3gjx h MET 1 Ca -0.00 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.43 3gjx h MET 1 Cb 0.76 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.43 3gjx h MET 1 CO 0.03 0.87 0.28 1.49 1.06 0.00 0.00 176.91 180.64 3gjx h GLU 2 N -0.48 1.16 0.00 1.72 4.22 -1.85 0.30 114.58 119.64 3gjx h GLU 2 Ca -0.02 -0.22 -0.06 0.00 0.08 0.00 0.00 59.36 59.14 3gjx h GLU 2 Cb 0.94 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 3gjx h GLU 2 CO 0.04 0.95 -0.26 1.49 -2.18 0.00 0.00 179.01 179.05 3gjx h GLU 3 N 1.12 0.00 0.00 1.92 4.81 -1.31 -1.00 114.58 120.12 3gjx h GLU 3 Ca 0.25 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 3gjx h GLU 3 Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3gjx h GLU 3 CO -0.02 0.26 -0.05 1.25 -0.73 0.00 0.00 179.01 179.72 3gjx h LEU 4 N 0.00 0.04 -0.71 1.64 5.85 -0.69 -2.96 115.31 118.48 3gjx h LEU 4 Ca -0.00 -0.83 0.04 0.00 0.84 0.00 0.00 57.88 57.93 3gjx h LEU 4 Cb 0.56 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 3gjx h LEU 4 CO 0.03 0.86 0.44 0.28 -0.34 0.00 0.00 178.44 179.71 3gjx h SER 5 N -0.77 0.70 0.61 1.25 0.02 -0.75 0.53 113.55 115.15 3gjx h SER 5 Ca -0.01 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 3gjx h SER 5 Cb 0.87 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 3gjx h SER 5 CO 0.01 0.47 -0.30 1.56 -1.14 0.00 0.00 176.83 177.43 3gjx h GLN 6 N 0.84 0.00 -0.04 3.45 1.08 -1.30 -1.38 115.11 117.76 3gjx h GLN 6 Ca 0.29 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.39 3gjx h GLN 6 Cb 0.07 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.50 3gjx h GLN 6 CO -0.13 0.30 -0.38 0.00 -0.95 0.00 0.00 178.83 177.68 3gjx h ALA 7 N 1.70 0.09 -0.63 3.87 0.00 -1.19 -2.68 119.26 120.42 3gjx h ALA 7 Ca -0.00 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3gjx h ALA 7 Cb 0.69 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3gjx h ALA 7 CO 0.04 0.21 0.38 1.25 0.00 0.00 0.00 179.25 181.13 3gjx h LEU 8 N -0.22 0.76 -0.21 0.00 6.46 -0.71 -0.89 115.31 120.49 3gjx h LEU 8 Ca -0.04 -0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.63 3gjx h LEU 8 Cb 1.07 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.80 3gjx h LEU 8 CO 0.08 0.60 0.01 0.00 -0.62 0.00 0.00 178.44 178.50 3gjx h ALA 9 N 1.19 0.28 -0.01 1.25 0.00 -1.37 -3.38 119.26 117.23 3gjx h ALA 9 Ca 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3gjx h ALA 9 Cb -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3gjx h ALA 9 CO -0.04 -0.01 -0.47 0.43 0.00 0.00 0.00 179.25 179.15 3gjx n SER 10 N -4.70 1.65 -2.90 0.00 7.64 -1.01 -4.60 113.62 109.70 3gjx n SER 10 Ca -0.04 -1.32 -0.13 0.00 1.01 0.00 0.00 58.87 58.39 3gjx n SER 10 Cb 0.22 0.56 0.03 0.00 -1.01 0.00 0.00 64.21 64.01 3gjx n SER 10 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3gjx n SER 11 N -0.30 0.02 -3.25 6.43 7.64 -0.35 -3.25 113.62 120.56 3gjx n SER 11 Ca 0.07 -3.00 -0.04 0.00 1.01 0.00 0.00 58.87 56.91 3gjx n SER 11 Cb 0.38 0.11 -0.04 0.00 -1.01 0.00 0.00 64.21 63.65 3gjx n SER 11 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3gjx s PHE 12 N -1.75 -1.27 -0.22 1.43 5.36 -1.26 -4.82 117.98 115.44 3gjx s PHE 12 Ca 0.31 0.81 -0.26 0.00 -0.96 0.00 0.00 56.93 56.82 3gjx s PHE 12 Cb 0.37 0.10 0.07 0.00 -0.34 0.00 0.00 43.02 43.22 3gjx s PHE 12 CO -0.04 -0.95 0.71 0.45 -1.46 0.00 0.00 175.22 173.93 3gjx s SER 13 N 2.66 -0.73 -0.09 6.13 0.15 -1.26 -4.98 113.70 115.57 3gjx s SER 13 Ca 0.12 1.30 -0.03 0.00 0.70 0.00 0.00 55.95 58.04 3gjx s SER 13 Cb -0.13 1.28 -0.26 0.00 -1.71 0.00 0.00 66.02 65.20 3gjx s SER 13 CO -0.25 -0.32 0.47 0.58 1.20 0.00 0.00 173.24 174.92 3gjx h VAL 14 N 3.79 0.72 0.00 4.45 2.07 -2.02 -3.40 116.25 121.86 3gjx h VAL 14 Ca -0.29 -2.45 -0.03 0.00 0.82 0.00 0.00 66.70 64.76 3gjx h VAL 14 Cb 1.16 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 33.44 3gjx h VAL 14 CO 0.12 0.81 -2.01 -1.20 0.02 0.00 0.00 177.57 175.31 3gjx n SER 15 N -3.40 0.08 -3.78 0.57 7.64 -1.26 -5.00 113.62 108.47 3gjx n SER 15 Ca -0.28 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.35 3gjx n SER 15 Cb 1.05 1.90 0.04 0.00 -1.01 0.00 0.00 64.21 66.19 3gjx n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gjx n GLN 16 N -2.29 -5.64 -4.03 1.43 6.02 -1.26 -4.98 117.38 106.63 3gjx n GLN 16 Ca -0.06 0.64 -0.27 0.00 -0.01 0.00 0.00 57.00 57.30 3gjx n GLN 16 Cb 0.61 -5.44 -0.05 0.00 1.02 0.00 0.00 30.24 26.38 3gjx n GLN 16 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 3gjx s ASP 17 N -3.73 5.82 0.19 1.08 1.47 -1.26 -5.05 116.67 115.19 3gjx s ASP 17 Ca 0.39 0.00 -0.30 0.00 1.18 0.00 0.00 52.55 53.83 3gjx s ASP 17 Cb -0.19 -1.62 -0.08 0.00 -0.34 0.00 0.00 42.92 40.69 3gjx s ASP 17 CO 0.81 0.08 0.93 -0.76 0.68 0.00 0.00 175.17 176.91 3gjx s LEU 18 N -3.02 4.60 -1.45 2.11 1.43 -1.24 -3.92 118.68 117.18 3gjx s LEU 18 Ca 0.32 1.87 -0.08 0.00 -1.03 0.00 0.00 54.13 55.21 3gjx s LEU 18 Cb -0.11 -3.57 0.05 0.00 0.03 0.00 0.00 46.19 42.59 3gjx s LEU 18 CO 0.25 0.09 0.82 0.59 0.23 0.00 0.00 176.35 178.34 3gjx n ASN 19 N 1.91 -3.06 -4.77 2.29 5.03 -0.75 -4.81 115.26 111.10 3gjx n ASN 19 Ca -0.01 -0.83 -0.41 0.00 0.87 0.00 0.00 54.58 54.21 3gjx n ASN 19 Cb 0.48 -3.81 -0.02 0.00 -1.02 0.00 0.00 39.78 35.41 3gjx n ASN 19 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3gjx s SER 20 N -3.77 6.68 0.00 6.41 0.15 -1.25 -2.12 113.70 119.80 3gjx s SER 20 Ca 0.38 2.76 0.31 0.00 0.70 0.00 0.00 55.95 60.09 3gjx s SER 20 Cb -0.19 -2.65 1.60 0.00 -1.71 0.00 0.00 66.02 63.07 3gjx s SER 20 CO 0.83 -0.61 2.07 0.35 1.20 0.00 0.00 173.24 177.09 3gjx n THR 21 N 0.71 0.00 0.25 6.45 -2.24 -1.26 -2.47 114.28 115.72 3gjx n THR 21 Ca 0.00 -0.04 0.10 0.00 -2.27 0.00 0.00 64.05 61.85 3gjx n THR 21 Cb 0.41 -0.32 0.65 0.00 -2.10 0.00 0.00 70.33 68.98 3gjx n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gjx h ALA 22 N 3.83 1.40 -2.08 6.98 0.00 -1.95 -3.43 119.26 124.00 3gjx h ALA 22 Ca 0.00 -0.13 -0.57 0.00 0.00 0.00 0.00 54.91 54.21 3gjx h ALA 22 Cb 0.19 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.85 3gjx h ALA 22 CO 0.00 0.18 -0.64 0.00 0.00 0.00 0.00 179.25 178.80 3gjx s ALA 23 N -4.32 3.17 0.93 0.00 0.00 -1.03 -5.13 121.76 115.38 3gjx s ALA 23 Ca -0.03 -1.78 -0.11 0.00 0.00 0.00 0.00 51.96 50.04 3gjx s ALA 23 Cb 0.14 -0.61 0.15 0.00 0.00 0.00 0.00 23.12 22.80 3gjx s ALA 23 CO 0.62 0.18 1.10 -2.14 0.00 0.00 0.00 175.76 175.53 3gjx s PRO 24 N -3.69 0.96 0.11 0.00 0.02 -1.26 -4.86 135.00 126.28 3gjx s PRO 24 Ca 0.33 1.19 -0.35 0.00 0.02 0.00 0.00 61.00 62.19 3gjx s PRO 24 Cb -0.04 -1.75 -0.15 0.00 0.02 0.00 0.00 34.50 32.58 3gjx s PRO 24 CO 0.20 -2.55 1.47 1.58 -0.33 0.00 0.00 177.00 177.36 3gjx n HIS 25 N -4.14 1.89 0.13 6.54 -0.00 -1.26 -4.81 115.22 113.56 3gjx n HIS 25 Ca 0.09 0.45 0.09 0.00 0.46 0.00 0.00 57.72 58.81 3gjx n HIS 25 Cb 0.53 -2.44 0.46 0.00 -0.12 0.00 0.00 29.99 28.42 3gjx n HIS 25 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 3gjx n PRO 26 N 3.08 0.11 0.29 1.57 -0.02 -1.26 -0.72 135.00 138.06 3gjx n PRO 26 Ca 0.18 0.60 0.19 0.00 -2.02 0.00 0.00 63.50 62.45 3gjx n PRO 26 Cb 0.24 -1.87 0.83 0.00 -0.02 0.00 0.00 33.50 32.67 3gjx n PRO 26 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gjx h ARG 27 N 0.00 0.00 -1.34 -0.52 -0.00 -2.02 -2.99 114.38 107.50 3gjx h ARG 27 Ca 0.00 0.00 -0.69 0.00 -0.50 0.00 0.00 59.98 58.79 3gjx h ARG 27 Cb 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 29.97 29.69 3gjx h ARG 27 CO 0.00 0.01 0.61 1.28 0.00 0.00 0.00 179.97 181.87 3gjx n LEU 28 N -3.11 7.09 0.00 3.04 4.77 0.10 -5.21 117.00 123.68 3gjx n LEU 28 Ca -0.00 -4.60 0.00 0.00 -0.03 0.00 0.00 56.01 51.38 3gjx n LEU 28 Cb 0.24 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 3gjx n LEU 28 CO 0.25 1.70 0.00 -0.24 -1.33 0.00 0.00 177.39 177.78 3gjx n SER 29 N -0.73 0.00 -4.39 -1.43 2.88 -1.13 -4.96 113.62 103.85 3gjx n SER 29 Ca 0.56 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 57.65 3gjx n SER 29 Cb 0.55 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.99 3gjx n SER 29 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3gjx s SER 33 N 1.45 6.76 0.20 -3.46 1.04 -1.26 -5.17 113.70 113.26 3gjx s SER 33 Ca 0.00 -2.48 -0.32 0.00 0.48 0.00 0.00 55.95 53.63 3gjx s SER 33 Cb 0.00 -2.31 -0.13 0.00 0.10 0.00 0.00 66.02 63.68 3gjx s SER 33 CO 0.00 -0.79 1.54 1.17 0.98 0.00 0.00 173.24 176.14 3gjx n LYS 34 N 5.15 2.22 0.00 4.02 4.81 -1.26 -4.87 118.16 128.23 3gjx n LYS 34 Ca 0.20 0.80 0.13 0.00 -0.87 0.00 0.00 58.31 58.57 3gjx n LYS 34 Cb 0.47 -2.54 0.37 0.00 0.02 0.00 0.00 35.03 33.35 3gjx n LYS 34 CO 0.00 0.00 0.00 2.48 1.17 0.00 0.00 177.40 181.05 3gjx n TYR 35 N 2.82 0.00 -0.65 5.64 0.18 -1.20 -2.36 117.16 121.60 3gjx n TYR 35 Ca 0.14 0.00 0.09 0.00 1.88 0.00 0.00 57.90 60.01 3gjx n TYR 35 Cb 0.31 -0.28 0.37 0.00 -0.38 0.00 0.00 39.34 39.35 3gjx n TYR 35 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 3gjx n SER 36 N -1.38 4.96 -4.81 9.48 7.64 -1.26 -4.90 113.62 123.35 3gjx n SER 36 Ca 0.07 -2.55 -0.22 0.00 1.01 0.00 0.00 58.87 57.18 3gjx n SER 36 Cb 0.33 -0.61 -0.05 0.00 -1.01 0.00 0.00 64.21 62.88 3gjx n SER 36 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3gjx s SER 37 N -0.86 4.80 -0.26 6.43 0.15 -1.00 -1.81 113.70 121.16 3gjx s SER 37 Ca 0.52 -0.86 -0.26 0.00 0.70 0.00 0.00 55.95 56.05 3gjx s SER 37 Cb 0.35 -0.57 0.15 0.00 -1.71 0.00 0.00 66.02 64.23 3gjx s SER 37 CO 0.23 -0.57 1.17 -0.22 1.20 0.00 0.00 173.24 175.05 3gjx s LEU 38 N -4.02 -0.29 0.00 3.45 2.96 -1.26 -4.83 118.68 114.69 3gjx s LEU 38 Ca 0.44 0.49 0.27 0.00 -0.22 0.00 0.00 54.13 55.11 3gjx s LEU 38 Cb -0.01 1.59 0.96 0.00 0.50 0.00 0.00 46.19 49.23 3gjx s LEU 38 CO 0.25 -0.14 1.69 1.21 -1.32 0.00 0.00 176.35 178.04 3gjx n GLU 39 N 1.58 0.90 -4.49 1.98 4.07 -1.26 -4.87 120.64 118.55 3gjx n GLU 39 Ca -0.10 -0.46 -0.34 0.00 -0.06 0.00 0.00 57.16 56.20 3gjx n GLU 39 Cb 0.57 -1.49 -0.12 0.00 -0.06 0.00 0.00 31.44 30.34 3gjx n GLU 39 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 3gjx s GLN 40 N -2.42 3.33 0.00 5.31 -0.21 -1.26 -4.43 119.66 119.98 3gjx s GLN 40 Ca 0.28 -0.53 0.00 0.00 0.02 0.00 0.00 55.36 55.13 3gjx s GLN 40 Cb 0.20 -2.79 0.00 0.00 1.00 0.00 0.00 33.01 31.41 3gjx s GLN 40 CO 0.48 0.40 0.00 0.43 -2.12 0.00 0.00 175.29 174.48 3gjx n SER 41 N 3.03 0.00 -0.01 5.90 7.64 -1.26 -4.86 113.62 124.06 3gjx n SER 41 Ca -0.18 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.61 3gjx n SER 41 Cb 0.53 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 3gjx n SER 41 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3gjx h GLU 42 N 0.00 -0.18 0.64 1.43 5.08 -1.92 -1.25 114.58 118.39 3gjx h GLU 42 Ca 0.00 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3gjx h GLU 42 Cb 0.00 0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.30 3gjx h GLU 42 CO 0.00 -0.12 -0.31 0.00 -1.00 0.00 0.00 179.01 177.59 3gjx h ARG 43 N -0.18 -0.83 -0.54 2.33 2.47 -2.00 -2.28 114.38 113.34 3gjx h ARG 43 Ca 0.10 0.06 0.13 0.00 -1.26 0.00 0.00 59.98 59.01 3gjx h ARG 43 Cb 0.33 0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 28.81 3gjx h ARG 43 CO -0.25 -0.55 0.38 0.00 0.56 0.00 0.00 179.97 180.11 3gjx h ARG 44 N -0.87 0.14 -0.07 0.04 3.08 -1.87 -1.35 114.38 113.48 3gjx h ARG 44 Ca -0.09 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3gjx h ARG 44 Cb 0.66 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 3gjx h ARG 44 CO 0.14 0.09 0.02 0.00 -1.07 0.00 0.00 179.97 179.15 3gjx h ARG 45 N 0.14 0.11 -0.37 0.04 3.08 -0.92 -2.09 114.38 114.38 3gjx h ARG 45 Ca 0.26 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.33 3gjx h ARG 45 Cb 0.83 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.81 3gjx h ARG 45 CO -0.03 0.30 0.09 -0.09 -1.07 0.00 0.00 179.97 179.17 3gjx h ARG 46 N -0.09 0.22 -0.36 0.04 2.43 -0.71 -1.92 114.38 114.00 3gjx h ARG 46 Ca 0.02 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3gjx h ARG 46 Cb 0.24 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 3gjx h ARG 46 CO 0.00 0.14 0.23 1.25 -1.51 0.00 0.00 179.97 180.09 3gjx h LEU 47 N 0.22 0.41 -0.79 3.80 6.46 -1.32 -0.51 115.31 123.59 3gjx h LEU 47 Ca 0.18 -0.02 -0.08 0.00 -0.12 0.00 0.00 57.88 57.84 3gjx h LEU 47 Cb 0.19 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 39.99 3gjx h LEU 47 CO -0.21 0.31 0.06 -0.07 -0.62 0.00 0.00 178.44 177.90 3gjx h LEU 48 N 0.48 0.94 -0.23 2.25 3.38 -0.95 0.19 115.31 121.37 3gjx h LEU 48 Ca 0.13 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 3gjx h LEU 48 Cb -0.05 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 3gjx h LEU 48 CO -0.03 0.96 -0.05 -0.33 0.09 0.00 0.00 178.44 179.08 3gjx h GLU 49 N 0.91 0.44 -0.43 1.13 5.08 -1.20 -2.11 114.58 118.41 3gjx h GLU 49 Ca 0.18 -0.17 0.12 0.00 -1.00 0.00 0.00 59.36 58.50 3gjx h GLU 49 Cb 0.45 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 3gjx h GLU 49 CO 0.02 0.67 0.38 -0.07 -1.00 0.00 0.00 179.01 179.01 3gjx h LEU 50 N 0.18 0.00 0.00 1.33 4.07 -0.55 -1.99 115.31 118.35 3gjx h LEU 50 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 3gjx h LEU 50 Cb 0.51 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.25 3gjx h LEU 50 CO 0.02 0.00 -0.06 0.00 -1.08 0.00 0.00 178.44 177.32 3gjx n GLN 51 N -3.99 0.21 -0.31 1.13 1.13 0.62 -4.54 117.38 111.63 3gjx n GLN 51 Ca 0.07 0.16 -0.02 0.00 -1.94 0.00 0.00 57.00 55.28 3gjx n GLN 51 Cb 0.57 -1.74 -0.03 0.00 0.11 0.00 0.00 30.24 29.15 3gjx n GLN 51 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3gjx n LYS 52 N -2.11 0.63 -3.03 -1.09 5.02 -0.75 -4.79 118.16 112.04 3gjx n LYS 52 Ca 0.06 -0.16 -0.40 0.00 -2.02 0.00 0.00 58.31 55.79 3gjx n LYS 52 Cb 0.41 -1.43 -0.05 0.00 -0.02 0.00 0.00 35.03 33.95 3gjx n LYS 52 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3gjx s SER 53 N 2.19 7.02 -0.28 4.39 0.01 -1.26 -4.99 113.70 120.78 3gjx s SER 53 Ca 0.11 1.23 -0.28 0.00 1.31 0.00 0.00 55.95 58.32 3gjx s SER 53 Cb 0.05 -2.42 -0.03 0.00 0.21 0.00 0.00 66.02 63.83 3gjx s SER 53 CO 0.00 -0.10 1.88 -0.75 0.41 0.00 0.00 173.24 174.68 3gjx s LYS 54 N 0.70 3.36 0.00 12.44 2.36 -1.26 -4.69 119.74 132.65 3gjx s LYS 54 Ca 0.38 1.63 0.00 0.00 -2.55 0.00 0.00 55.97 55.43 3gjx s LYS 54 Cb -0.18 -4.22 0.00 0.00 -1.05 0.00 0.00 37.83 32.38 3gjx s LYS 54 CO 0.19 -1.82 0.00 -2.13 1.55 0.00 0.00 175.35 173.13 3gjx n ARG 55 N 8.40 3.20 -3.77 4.03 0.63 -1.26 -5.05 116.66 122.84 3gjx n ARG 55 Ca 0.24 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.80 3gjx n ARG 55 Cb 0.46 -0.56 -0.06 0.00 0.45 0.00 0.00 32.46 32.75 3gjx n ARG 55 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3gjx s LEU 56 N -1.41 4.40 -1.06 6.15 1.02 -1.26 -5.04 118.68 121.47 3gjx s LEU 56 Ca 0.00 0.60 -0.14 0.00 0.02 0.00 0.00 54.13 54.61 3gjx s LEU 56 Cb 0.00 -2.36 0.19 0.00 0.02 0.00 0.00 46.19 44.04 3gjx s LEU 56 CO 0.00 0.35 1.20 -0.62 0.02 0.00 0.00 176.35 177.29 3gjx s ASP 57 N -1.25 6.97 0.18 2.29 2.15 -1.26 -4.80 116.67 120.94 3gjx s ASP 57 Ca 0.21 -2.83 0.22 0.00 0.43 0.00 0.00 52.55 50.58 3gjx s ASP 57 Cb -0.13 -2.34 0.88 0.00 -0.30 0.00 0.00 42.92 41.03 3gjx s ASP 57 CO 0.10 -0.71 1.66 -1.22 -0.17 0.00 0.00 175.17 174.83 3gjx n TYR 58 N 5.07 0.58 -0.06 -5.34 4.01 -1.26 -1.82 117.16 118.34 3gjx n TYR 58 Ca 0.28 0.22 -0.13 0.00 -0.16 0.00 0.00 57.90 58.11 3gjx n TYR 58 Cb 0.44 -0.86 -0.07 0.00 -0.31 0.00 0.00 39.34 38.55 3gjx n TYR 58 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3gjx h VAL 59 N 0.00 1.33 0.00 -0.72 2.07 -1.96 -2.13 116.25 114.84 3gjx h VAL 59 Ca 0.00 -1.19 -0.11 0.00 0.82 0.00 0.00 66.70 66.22 3gjx h VAL 59 Cb 0.37 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 3gjx h VAL 59 CO 0.00 0.35 -0.52 -1.13 0.02 0.00 0.00 177.57 176.29 3gjx h ASN 60 N -0.01 0.00 0.10 0.57 -1.24 -1.77 -3.01 115.58 110.22 3gjx h ASN 60 Ca 0.03 0.00 -0.28 0.00 0.71 0.00 0.00 56.30 56.76 3gjx h ASN 60 Cb 0.60 0.00 0.03 0.00 0.73 0.00 0.00 38.32 39.68 3gjx h ASN 60 CO 0.03 0.52 -1.14 -0.74 -1.29 0.00 0.00 177.43 174.81 3gjx h HIS 61 N 0.00 0.96 0.00 0.67 2.76 -1.41 -2.60 115.15 115.54 3gjx h HIS 61 Ca -0.01 -0.59 -0.02 0.00 -2.20 0.00 0.00 60.37 57.55 3gjx h HIS 61 Cb 1.26 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 30.14 3gjx h HIS 61 CO 0.00 1.43 -0.10 0.00 -1.30 0.00 0.00 177.93 177.96 3gjx h ALA 62 N 0.29 1.61 -0.07 5.26 0.00 -1.43 -2.30 119.26 122.62 3gjx h ALA 62 Ca -0.17 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.45 3gjx h ALA 62 Cb 1.82 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.61 3gjx h ALA 62 CO 0.22 0.13 -0.72 -0.09 0.00 0.00 0.00 179.25 178.79 3gjx h ARG 63 N 0.00 0.61 -0.52 0.00 2.43 -1.48 -2.47 114.38 112.94 3gjx h ARG 63 Ca -0.00 -0.57 -0.07 0.00 -0.81 0.00 0.00 59.98 58.53 3gjx h ARG 63 Cb 0.21 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 3gjx h ARG 63 CO 0.01 1.18 0.05 0.00 -1.51 0.00 0.00 179.97 179.71 3gjx h ARG 64 N 0.24 0.88 -0.76 0.20 3.08 -1.03 0.19 114.38 117.19 3gjx h ARG 64 Ca -0.07 -0.25 0.01 0.00 0.07 0.00 0.00 59.98 59.74 3gjx h ARG 64 Cb 1.38 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 31.30 3gjx h ARG 64 CO 0.15 0.88 0.50 -0.07 -1.07 0.00 0.00 179.97 180.35 3gjx h LEU 65 N 0.76 0.85 -1.02 3.04 3.38 -1.48 0.20 115.31 121.04 3gjx h LEU 65 Ca 0.15 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 3gjx h LEU 65 Cb 0.45 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3gjx h LEU 65 CO 0.02 0.61 -0.12 0.00 0.09 0.00 0.00 178.44 179.03 3gjx h ALA 66 N 1.29 1.18 -0.23 1.53 0.00 -0.90 -3.16 119.26 118.96 3gjx h ALA 66 Ca 0.28 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gjx h ALA 66 Cb -0.09 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3gjx h ALA 66 CO -0.07 0.52 0.00 0.39 0.00 0.00 0.00 179.25 180.09 3gjx n GLU 67 N -4.19 2.77 -4.18 0.00 1.02 -0.00 -4.73 120.64 111.33 3gjx n GLU 67 Ca 0.01 -2.20 -0.31 0.00 -0.02 0.00 0.00 57.16 54.63 3gjx n GLU 67 Cb 0.33 -1.39 -0.06 0.00 -0.02 0.00 0.00 31.44 30.30 3gjx n GLU 67 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3gjx n ASP 68 N -0.10 0.01 -4.21 1.62 4.64 0.64 -4.95 116.55 114.20 3gjx n ASP 68 Ca 0.12 -1.20 -0.34 0.00 -1.38 0.00 0.00 54.79 51.99 3gjx n ASP 68 Cb 0.53 -2.04 -0.15 0.00 -1.04 0.00 0.00 41.12 38.42 3gjx n ASP 68 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3gjx s ASP 69 N -4.29 3.79 -0.09 1.67 -1.08 -0.83 -4.99 116.67 110.85 3gjx s ASP 69 Ca 0.06 -0.57 0.15 0.00 -0.52 0.00 0.00 52.55 51.67 3gjx s ASP 69 Cb -0.03 -1.62 0.32 0.00 -1.46 0.00 0.00 42.92 40.13 3gjx s ASP 69 CO 0.96 -0.02 1.15 0.79 0.52 0.00 0.00 175.17 178.57 3gjx n TRP 70 N 4.70 0.00 -4.49 -5.34 7.02 -1.26 -4.64 117.44 113.43 3gjx n TRP 70 Ca -0.19 -0.83 -0.34 0.00 -1.02 0.00 0.00 57.50 55.11 3gjx n TRP 70 Cb 0.50 -0.16 -0.10 0.00 -2.42 0.00 0.00 31.31 29.12 3gjx n TRP 70 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 3gjx s THR 71 N -1.63 4.01 0.00 -0.99 -1.32 -1.26 -4.83 115.64 109.62 3gjx s THR 71 Ca 0.29 -0.36 0.00 0.00 -1.21 0.00 0.00 61.69 60.41 3gjx s THR 71 Cb 0.29 -2.67 0.00 0.00 -1.51 0.00 0.00 72.50 68.61 3gjx s THR 71 CO -0.07 0.60 0.00 0.61 -2.21 0.00 0.00 174.62 173.55 3gjx n GLY 72 N 2.24 0.87 0.00 6.08 0.00 -1.26 -5.22 105.19 107.91 3gjx n GLY 72 Ca -0.18 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3gjx n GLY 72 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3gjx n MET 73 N 0.00 1.73 0.00 1.61 2.81 -1.26 -5.30 117.12 116.71 3gjx n MET 73 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3gjx n MET 73 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 3gjx n MET 73 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 3gjx n LYS 93 N -0.25 0.00 0.00 0.03 4.81 -1.26 -5.04 118.16 116.45 3gjx n LYS 93 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3gjx n LYS 93 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3gjx n LYS 93 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3gjx n LEU 94 N 0.00 0.00 -4.57 3.14 4.77 -1.26 -5.07 117.00 114.01 3gjx n LEU 94 Ca 0.00 0.00 -0.50 0.00 -0.03 0.00 0.00 56.01 55.48 3gjx n LEU 94 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 3gjx n LEU 94 CO 0.00 0.00 0.73 -2.65 -1.33 0.00 0.00 177.39 174.14 3gjx n PRO 95 N 0.00 1.10 0.07 3.23 -0.02 -1.26 -4.93 135.00 133.19 3gjx n PRO 95 Ca 0.00 0.39 0.13 0.00 -2.02 0.00 0.00 63.50 62.00 3gjx n PRO 95 Cb 0.00 -1.90 0.40 0.00 -0.02 0.00 0.00 33.50 31.97 3gjx n PRO 95 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3gjx n LYS 96 N 1.85 0.21 0.00 -0.52 5.02 -1.26 -4.94 118.16 118.51 3gjx n LYS 96 Ca 0.16 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 3gjx n LYS 96 Cb 0.23 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 3gjx n LYS 96 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3gjx n HIS 97 N -2.07 0.00 0.78 2.13 8.25 -1.26 -4.84 115.22 118.21 3gjx n HIS 97 Ca 0.05 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.63 3gjx n HIS 97 Cb 0.41 0.00 0.19 0.00 1.12 0.00 0.00 29.99 31.71 3gjx n HIS 97 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3gjx n TYR 98 N 0.00 0.24 -2.82 4.41 4.01 -1.26 -4.89 117.16 116.84 3gjx n TYR 98 Ca 0.00 0.07 -0.36 0.00 -0.16 0.00 0.00 57.90 57.45 3gjx n TYR 98 Cb 0.00 -0.42 -0.06 0.00 -0.31 0.00 0.00 39.34 38.54 3gjx n TYR 98 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3gjx s ALA 99 N -3.09 3.20 -0.65 -0.72 0.00 -1.26 -4.00 121.76 115.24 3gjx s ALA 99 Ca 0.08 0.46 -0.03 0.00 0.00 0.00 0.00 51.96 52.47 3gjx s ALA 99 Cb 0.16 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 20.14 3gjx s ALA 99 CO 0.72 0.18 0.46 0.09 0.00 0.00 0.00 175.76 177.22 3gjx n ASN 100 N 0.36 -3.89 -0.01 0.00 5.03 -0.08 -4.75 115.26 111.93 3gjx n ASN 100 Ca 0.02 -0.21 0.09 0.00 0.87 0.00 0.00 54.58 55.35 3gjx n ASN 100 Cb 0.51 -2.55 -0.13 0.00 -1.02 0.00 0.00 39.78 36.58 3gjx n ASN 100 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3gjx n GLN 101 N -2.45 0.59 -3.18 3.52 1.13 -1.26 -4.33 117.38 111.40 3gjx n GLN 101 Ca -0.01 -0.15 -0.36 0.00 -1.94 0.00 0.00 57.00 54.54 3gjx n GLN 101 Cb 0.54 -1.41 -0.06 0.00 0.11 0.00 0.00 30.24 29.41 3gjx n GLN 101 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3gjx s LEU 102 N -4.12 4.36 -0.19 1.08 1.43 -1.26 -4.41 118.68 115.57 3gjx s LEU 102 Ca -0.06 1.32 -0.24 0.00 -1.03 0.00 0.00 54.13 54.13 3gjx s LEU 102 Cb 0.11 -3.46 -0.02 0.00 0.03 0.00 0.00 46.19 42.86 3gjx s LEU 102 CO 0.73 0.07 0.76 -0.32 0.23 0.00 0.00 176.35 177.82 3gjx s MET 103 N -1.90 4.26 -0.14 1.70 -2.45 -1.26 -1.24 119.30 118.26 3gjx s MET 103 Ca 0.41 0.87 -0.04 0.00 -1.25 0.00 0.00 55.69 55.68 3gjx s MET 103 Cb -0.16 -3.58 -0.03 0.00 1.25 0.00 0.00 34.83 32.30 3gjx s MET 103 CO 0.20 -0.31 -0.02 -0.51 1.05 0.00 0.00 175.02 175.43 3gjx s LEU 104 N 2.13 3.39 0.85 4.11 1.43 0.23 -4.88 118.68 125.92 3gjx s LEU 104 Ca 0.35 -0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.29 3gjx s LEU 104 Cb -0.16 -1.81 0.10 0.00 0.03 0.00 0.00 46.19 44.35 3gjx s LEU 104 CO 0.11 0.22 1.09 -0.94 0.23 0.00 0.00 176.35 177.06 3gjx s SER 105 N 0.06 3.93 0.41 2.29 1.04 -1.26 0.49 113.70 120.66 3gjx s SER 105 Ca 0.01 1.55 0.08 0.00 0.48 0.00 0.00 55.95 58.07 3gjx s SER 105 Cb -0.13 -2.25 -0.03 0.00 0.10 0.00 0.00 66.02 63.70 3gjx s SER 105 CO 0.02 -2.36 0.30 -1.61 0.98 0.00 0.00 173.24 170.58 3gjx s GLU 106 N -4.96 2.42 0.40 4.02 2.02 -0.48 -4.56 118.70 117.56 3gjx s GLU 106 Ca 0.62 -1.65 -0.27 0.00 0.02 0.00 0.00 54.97 53.69 3gjx s GLU 106 Cb -0.17 -2.23 -0.09 0.00 0.10 0.00 0.00 34.13 31.74 3gjx s GLU 106 CO 0.56 -0.16 1.34 -1.58 0.02 0.00 0.00 175.26 175.44 3gjx s TRP 107 N -2.52 2.79 -0.70 1.61 0.52 -0.90 0.03 118.94 119.76 3gjx s TRP 107 Ca 0.45 1.37 -0.26 0.00 0.02 0.00 0.00 56.10 57.68 3gjx s TRP 107 Cb -0.01 -3.74 0.00 0.00 -1.15 0.00 0.00 33.47 28.58 3gjx s TRP 107 CO 0.26 -2.25 1.59 -1.17 0.02 0.00 0.00 176.95 175.40 3gjx s LEU 108 N -2.32 3.24 -0.04 2.99 2.96 -0.54 -4.54 118.68 120.42 3gjx s LEU 108 Ca 0.56 -0.14 -0.08 0.00 -0.22 0.00 0.00 54.13 54.25 3gjx s LEU 108 Cb -0.40 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.72 3gjx s LEU 108 CO 0.52 -2.12 -0.15 -0.38 -1.32 0.00 0.00 176.35 172.89 3gjx n ILE 109 N 6.86 1.17 -2.88 6.68 5.41 -1.26 -4.86 119.36 130.48 3gjx n ILE 109 Ca 0.14 0.27 -0.43 0.00 1.00 0.00 0.00 62.75 63.73 3gjx n ILE 109 Cb 0.50 -1.87 -0.03 0.00 -0.71 0.00 0.00 39.64 37.53 3gjx n ILE 109 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3gjx s ASP 110 N -5.73 6.56 0.14 4.38 2.15 -1.26 -5.00 116.67 117.91 3gjx s ASP 110 Ca -0.13 -1.86 -0.32 0.00 0.43 0.00 0.00 52.55 50.67 3gjx s ASP 110 Cb 0.02 -2.42 -0.12 0.00 -0.30 0.00 0.00 42.92 40.10 3gjx s ASP 110 CO 0.19 -1.15 1.77 0.52 -0.17 0.00 0.00 175.17 176.33 3gjx n VAL 111 N 5.69 0.23 -1.68 1.11 0.31 -1.26 -4.69 118.33 118.04 3gjx n VAL 111 Ca 0.22 -0.04 -0.45 0.00 -0.01 0.00 0.00 64.34 64.05 3gjx n VAL 111 Cb 0.49 -1.99 -0.04 0.00 -0.91 0.00 0.00 33.84 31.39 3gjx n VAL 111 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3gjx n PRO 112 N 4.93 2.42 0.33 5.55 -0.02 -1.26 -4.83 135.00 142.11 3gjx n PRO 112 Ca 0.18 0.88 0.22 0.00 -2.02 0.00 0.00 63.50 62.75 3gjx n PRO 112 Cb 0.35 -2.73 1.11 0.00 -0.02 0.00 0.00 33.50 32.21 3gjx n PRO 112 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3gjx h SER 113 N 8.42 0.00 -0.38 2.55 4.64 -2.04 -1.79 113.55 124.95 3gjx h SER 113 Ca -0.47 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.64 3gjx h SER 113 Cb 1.25 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.21 3gjx h SER 113 CO 0.93 0.00 -0.10 -0.90 -0.87 0.00 0.00 176.83 175.90 3gjx n ASP 114 N -3.09 2.65 0.10 4.97 3.85 -1.26 -4.84 116.55 118.92 3gjx n ASP 114 Ca -0.02 -3.80 -0.12 0.00 -0.71 0.00 0.00 54.79 50.13 3gjx n ASP 114 Cb 0.12 -0.63 -0.05 0.00 -1.35 0.00 0.00 41.12 39.20 3gjx n ASP 114 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 3gjx h LEU 115 N 1.07 -0.63 -2.51 -2.12 5.85 -1.69 -1.72 115.31 113.56 3gjx h LEU 115 Ca 0.24 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.04 3gjx h LEU 115 Cb 1.64 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.91 3gjx h LEU 115 CO 0.43 -0.31 0.00 1.23 -0.34 0.00 0.00 178.44 179.46 3gjx h GLY 116 N -0.41 0.00 0.00 3.75 0.00 -1.86 -1.94 103.07 102.61 3gjx h GLY 116 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.09 3gjx h GLY 116 CO -0.14 0.00 -2.03 0.61 0.00 0.00 0.00 176.54 174.98 3gjx n GLN 117 N -3.03 1.40 0.00 4.80 10.64 -1.17 -3.76 117.38 126.26 3gjx n GLN 117 Ca -0.02 0.01 0.07 0.00 -1.83 0.00 0.00 57.00 55.23 3gjx n GLN 117 Cb 0.13 -1.38 0.03 0.00 -0.86 0.00 0.00 30.24 28.16 3gjx n GLN 117 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 3gjx n GLU 118 N -2.63 1.27 -4.33 2.61 4.07 -0.65 -5.00 120.64 115.98 3gjx n GLU 118 Ca -0.26 -1.07 -0.17 0.00 -0.06 0.00 0.00 57.16 55.60 3gjx n GLU 118 Cb 0.96 -1.22 -0.10 0.00 -0.06 0.00 0.00 31.44 31.02 3gjx n GLU 118 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 3gjx s TRP 119 N -1.31 1.59 0.27 4.31 0.52 -0.75 -1.71 118.94 121.87 3gjx s TRP 119 Ca 0.14 -0.69 0.09 0.00 0.02 0.00 0.00 56.10 55.66 3gjx s TRP 119 Cb 0.11 -0.80 -0.05 0.00 -1.15 0.00 0.00 33.47 31.57 3gjx s TRP 119 CO 0.23 0.22 -0.13 0.96 0.02 0.00 0.00 176.95 178.24 3gjx s ILE 120 N -3.14 2.06 -0.05 2.03 -0.00 -0.44 -3.71 121.20 117.95 3gjx s ILE 120 Ca 0.22 -2.26 0.06 0.00 -0.00 0.00 0.00 60.65 58.68 3gjx s ILE 120 Cb 0.02 -2.33 -0.01 0.00 -0.00 0.00 0.00 42.46 40.13 3gjx s ILE 120 CO 0.06 -0.39 -0.25 0.54 -0.00 0.00 0.00 174.94 174.90 3gjx s VAL 121 N -2.76 2.09 -0.22 8.37 0.11 0.25 -0.91 120.40 127.34 3gjx s VAL 121 Ca 0.28 -1.06 -0.03 0.00 -2.93 0.00 0.00 61.98 58.24 3gjx s VAL 121 Cb -0.01 -1.75 0.00 0.00 -1.53 0.00 0.00 36.38 33.10 3gjx s VAL 121 CO 0.12 0.57 -0.07 -0.69 -3.33 0.00 0.00 175.10 171.71 3gjx s VAL 122 N -0.26 3.08 0.28 2.04 1.01 -0.14 -0.87 120.40 125.55 3gjx s VAL 122 Ca -0.01 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 60.99 3gjx s VAL 122 Cb -0.13 -2.44 -0.10 0.00 0.00 0.00 0.00 36.38 33.72 3gjx s VAL 122 CO 0.03 0.38 1.21 -0.69 0.00 0.00 0.00 175.10 176.03 3gjx s VAL 123 N 1.42 3.17 -0.01 2.92 1.01 -1.25 -2.37 120.40 125.29 3gjx s VAL 123 Ca 0.04 1.13 0.07 0.00 0.00 0.00 0.00 61.98 63.22 3gjx s VAL 123 Cb -0.15 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 3gjx s VAL 123 CO -0.05 0.25 -0.22 0.00 0.00 0.00 0.00 175.10 175.08 3gjx s PRO 125 N -0.65 3.82 0.11 0.00 0.02 -1.26 -0.73 135.00 136.31 3gjx s PRO 125 Ca 0.09 0.43 -0.31 0.00 0.02 0.00 0.00 61.00 61.23 3gjx s PRO 125 Cb -0.09 -2.47 -0.07 0.00 0.02 0.00 0.00 34.50 31.89 3gjx s PRO 125 CO -0.00 0.10 1.34 0.54 -0.33 0.00 0.00 177.00 178.64 3gjx s VAL 126 N -2.15 3.46 -2.29 3.83 0.11 -0.66 -4.47 120.40 118.24 3gjx s VAL 126 Ca 0.50 1.06 0.00 0.00 -2.93 0.00 0.00 61.98 60.62 3gjx s VAL 126 Cb -0.10 -3.68 0.00 0.00 -1.53 0.00 0.00 36.38 31.06 3gjx s VAL 126 CO 0.26 0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.73 3gjx n GLY 127 N 3.32 -1.45 3.87 6.54 0.00 -1.26 -4.58 105.19 111.62 3gjx n GLY 127 Ca 0.10 -1.03 -0.37 0.00 0.00 0.00 0.00 46.02 44.72 3gjx n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gjx s LYS 128 N -1.16 3.55 0.12 1.61 1.02 0.12 -4.83 119.74 120.17 3gjx s LYS 128 Ca 0.00 -0.02 -0.22 0.00 0.02 0.00 0.00 55.97 55.74 3gjx s LYS 128 Cb 0.00 -3.20 -0.07 0.00 -0.52 0.00 0.00 37.83 34.04 3gjx s LYS 128 CO 0.00 0.75 0.67 0.50 -0.92 0.00 0.00 175.35 176.36 3gjx s ARG 129 N -1.01 4.39 -0.03 1.68 6.06 -1.26 0.13 118.95 128.90 3gjx s ARG 129 Ca 0.17 0.95 -0.22 0.00 -2.50 0.00 0.00 55.73 54.13 3gjx s ARG 129 Cb -0.13 -3.26 0.04 0.00 0.06 0.00 0.00 34.95 31.67 3gjx s ARG 129 CO 0.06 0.59 0.48 0.00 -2.50 0.00 0.00 175.30 173.93 3gjx s ALA 130 N -1.08 -1.22 -0.20 6.12 0.00 0.24 -4.39 121.76 121.22 3gjx s ALA 130 Ca 0.32 0.78 -0.15 0.00 0.00 0.00 0.00 51.96 52.92 3gjx s ALA 130 Cb -0.21 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 3gjx s ALA 130 CO 0.23 -0.31 0.38 -1.17 0.00 0.00 0.00 175.76 174.88 3gjx s LEU 131 N -1.23 4.16 -0.17 0.00 2.96 0.72 -1.73 118.68 123.39 3gjx s LEU 131 Ca -0.12 0.49 -0.05 0.00 -0.22 0.00 0.00 54.13 54.23 3gjx s LEU 131 Cb -0.03 -2.48 -0.03 0.00 0.50 0.00 0.00 46.19 44.15 3gjx s LEU 131 CO 0.07 -0.05 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.41 3gjx s ILE 132 N 1.21 4.10 -0.22 6.68 -1.09 -0.80 -0.56 121.20 130.52 3gjx s ILE 132 Ca 0.18 -0.28 0.01 0.00 -2.23 0.00 0.00 60.65 58.33 3gjx s ILE 132 Cb -0.15 -2.82 0.06 0.00 -1.58 0.00 0.00 42.46 37.97 3gjx s ILE 132 CO 0.07 0.48 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.51 3gjx s VAL 133 N 0.45 1.52 -0.33 2.92 1.01 0.52 -0.91 120.40 125.59 3gjx s VAL 133 Ca -0.02 -1.13 -0.12 0.00 0.00 0.00 0.00 61.98 60.71 3gjx s VAL 133 Cb -0.14 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 3gjx s VAL 133 CO 0.02 -0.03 0.22 0.00 0.00 0.00 0.00 175.10 175.32 3gjx s ALA 134 N 1.41 3.49 -0.21 5.51 0.00 0.86 -1.03 121.76 131.79 3gjx s ALA 134 Ca -0.04 -1.34 -0.19 0.00 0.00 0.00 0.00 51.96 50.38 3gjx s ALA 134 Cb -0.18 -2.61 0.06 0.00 0.00 0.00 0.00 23.12 20.38 3gjx s ALA 134 CO -0.07 -0.90 0.56 0.45 0.00 0.00 0.00 175.76 175.80 3gjx s SER 135 N 1.72 -0.60 -1.46 0.00 0.15 0.18 -0.35 113.70 113.35 3gjx s SER 135 Ca 0.06 1.14 -0.08 0.00 0.70 0.00 0.00 55.95 57.77 3gjx s SER 135 Cb -0.17 1.14 0.04 0.00 -1.71 0.00 0.00 66.02 65.32 3gjx s SER 135 CO 0.10 -0.20 0.72 0.54 1.20 0.00 0.00 173.24 175.61 3gjx n ARG 136 N 2.89 -5.02 -0.21 5.44 1.74 -0.97 -2.03 116.66 118.50 3gjx n ARG 136 Ca -0.14 0.72 0.00 0.00 -0.77 0.00 0.00 57.85 57.66 3gjx n ARG 136 Cb 0.56 -5.58 0.00 0.00 -1.02 0.00 0.00 32.46 26.42 3gjx n ARG 136 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gjx n GLY 137 N -1.53 0.86 3.79 -0.13 0.00 -0.53 -5.01 105.19 102.64 3gjx n GLY 137 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 3gjx n GLY 137 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gjx s SER 138 N -2.13 -0.14 -0.03 1.61 0.15 -0.86 -3.63 113.70 108.67 3gjx s SER 138 Ca 0.00 -0.80 0.07 0.00 0.70 0.00 0.00 55.95 55.92 3gjx s SER 138 Cb 0.00 0.72 -0.02 0.00 -1.71 0.00 0.00 66.02 65.02 3gjx s SER 138 CO 0.00 -1.37 -0.23 -0.89 1.20 0.00 0.00 173.24 171.95 3gjx s THR 139 N -3.62 1.84 -0.00 6.45 2.01 0.31 -0.65 115.64 121.99 3gjx s THR 139 Ca 0.15 -0.99 0.05 0.00 0.31 0.00 0.00 61.69 61.21 3gjx s THR 139 Cb -0.05 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.91 3gjx s THR 139 CO 0.09 0.52 -0.14 -0.44 -0.69 0.00 0.00 174.62 173.95 3gjx s SER 140 N -0.44 1.68 -0.07 3.53 0.01 -0.20 -0.90 113.70 117.32 3gjx s SER 140 Ca 0.06 -0.29 0.02 0.00 1.31 0.00 0.00 55.95 57.04 3gjx s SER 140 Cb -0.10 -0.17 -0.03 0.00 0.21 0.00 0.00 66.02 65.93 3gjx s SER 140 CO 0.00 0.15 -0.10 0.00 0.41 0.00 0.00 173.24 173.71 3gjx s ALA 141 N -0.42 2.85 -0.01 1.44 0.00 -0.12 -0.35 121.76 125.14 3gjx s ALA 141 Ca 0.05 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.12 3gjx s ALA 141 Cb -0.06 -1.15 -0.01 0.00 0.00 0.00 0.00 23.12 21.91 3gjx s ALA 141 CO -0.00 0.53 -0.10 0.71 0.00 0.00 0.00 175.76 176.90 3gjx s TYR 142 N -0.67 0.91 1.00 0.00 1.51 0.27 -1.66 117.35 118.72 3gjx s TYR 142 Ca 0.10 -0.18 -0.12 0.00 -1.01 0.00 0.00 57.07 55.86 3gjx s TYR 142 Cb -0.11 -0.59 0.19 0.00 -0.11 0.00 0.00 41.96 41.34 3gjx s TYR 142 CO 0.01 -0.02 1.10 0.95 -1.11 0.00 0.00 175.55 176.48 3gjx s THR 143 N -0.21 2.02 0.36 -0.71 -4.23 -1.07 -0.20 115.64 111.60 3gjx s THR 143 Ca 0.03 0.01 0.14 0.00 -1.18 0.00 0.00 61.69 60.69 3gjx s THR 143 Cb -0.04 -2.52 0.35 0.00 1.34 0.00 0.00 72.50 71.64 3gjx s THR 143 CO -0.00 -0.01 1.74 0.11 -0.54 0.00 0.00 174.62 175.92 3gjx h LYS 144 N -1.90 0.46 0.00 3.99 1.57 -1.89 0.38 116.57 119.18 3gjx h LYS 144 Ca -0.55 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 3gjx h LYS 144 Cb 1.33 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.54 3gjx h LYS 144 CO 0.58 0.31 0.00 0.43 -0.57 0.00 0.00 179.45 180.20 3gjx n SER 145 N -4.76 0.00 -0.66 0.86 7.64 -1.26 -0.90 113.62 114.54 3gjx n SER 145 Ca 0.27 -1.46 -0.07 0.00 1.01 0.00 0.00 58.87 58.61 3gjx n SER 145 Cb 0.83 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 64.01 3gjx n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gjx n GLY 146 N 0.69 0.65 3.54 0.23 0.00 0.13 -4.56 105.19 105.88 3gjx n GLY 146 Ca 0.11 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 3gjx n GLY 146 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gjx s TYR 147 N -2.30 3.19 -0.07 1.61 2.02 -1.26 -4.69 117.35 115.86 3gjx s TYR 147 Ca 0.00 0.01 -0.29 0.00 -0.37 0.00 0.00 57.07 56.42 3gjx s TYR 147 Cb 0.00 -2.78 -0.07 0.00 -0.40 0.00 0.00 41.96 38.71 3gjx s TYR 147 CO 0.00 -0.50 2.02 0.00 -1.57 0.00 0.00 175.55 175.50 3gjx n VAL 149 N 6.35 0.00 -3.64 0.00 0.24 -0.66 -4.96 118.33 115.66 3gjx n VAL 149 Ca 0.23 -0.34 -0.08 0.00 -2.04 0.00 0.00 64.34 62.11 3gjx n VAL 149 Cb 0.43 0.33 -0.07 0.00 -1.47 0.00 0.00 33.84 33.06 3gjx n VAL 149 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3gjx s ASN 150 N -3.94 -0.56 -0.11 -1.34 2.47 -1.24 -5.02 114.94 105.21 3gjx s ASN 150 Ca -0.03 1.02 0.01 0.00 0.42 0.00 0.00 52.86 54.28 3gjx s ASN 150 Cb 0.14 1.09 -0.02 0.00 -1.45 0.00 0.00 41.25 41.02 3gjx s ASN 150 CO 0.86 -0.17 -0.14 -0.13 -3.72 0.00 0.00 177.10 173.80 3gjx s ARG 151 N 0.62 3.13 0.33 0.43 0.52 -1.26 -0.94 118.95 121.77 3gjx s ARG 151 Ca -0.01 -0.70 -0.17 0.00 -0.52 0.00 0.00 55.73 54.33 3gjx s ARG 151 Cb -0.05 -2.55 0.06 0.00 0.52 0.00 0.00 34.95 32.93 3gjx s ARG 151 CO -0.08 0.33 0.85 -0.59 0.02 0.00 0.00 175.30 175.83 3gjx s PHE 152 N 0.05 0.11 0.12 -0.53 -0.71 -0.08 -5.00 117.98 111.94 3gjx s PHE 152 Ca -0.05 -0.72 -0.18 0.00 -1.04 0.00 0.00 56.93 54.94 3gjx s PHE 152 Cb -0.15 0.81 -0.07 0.00 -1.21 0.00 0.00 43.02 42.40 3gjx s PHE 152 CO 0.04 -1.41 0.59 0.45 -1.34 0.00 0.00 175.22 173.56 3gjx s SER 153 N -3.16 7.00 0.10 1.98 0.15 -1.26 -0.53 113.70 117.99 3gjx s SER 153 Ca 0.17 1.24 -0.08 0.00 0.70 0.00 0.00 55.95 57.98 3gjx s SER 153 Cb -0.04 -2.35 -0.01 0.00 -1.71 0.00 0.00 66.02 61.91 3gjx s SER 153 CO 0.10 0.18 0.19 -0.94 1.20 0.00 0.00 173.24 173.97 3gjx s SER 154 N -1.39 0.13 -0.05 5.45 1.04 -0.62 -4.04 113.70 114.22 3gjx s SER 154 Ca 0.34 -0.74 0.10 0.00 0.48 0.00 0.00 55.95 56.13 3gjx s SER 154 Cb -0.18 0.35 0.36 0.00 0.10 0.00 0.00 66.02 66.65 3gjx s SER 154 CO 0.20 -0.76 1.21 0.18 0.98 0.00 0.00 173.24 175.05 3gjx n LEU 155 N -0.09 2.54 -4.76 2.42 4.77 -1.26 -3.36 117.00 117.26 3gjx n LEU 155 Ca -0.13 -1.28 -0.41 0.00 -0.03 0.00 0.00 56.01 54.16 3gjx n LEU 155 Cb 0.62 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 3gjx n LEU 155 CO 0.23 0.47 1.00 -0.76 -1.33 0.00 0.00 177.39 177.00 3gjx s LEU 156 N -1.15 4.42 -0.09 2.23 1.43 -1.26 -4.90 118.68 119.36 3gjx s LEU 156 Ca 0.26 2.64 -0.34 0.00 -1.03 0.00 0.00 54.13 55.66 3gjx s LEU 156 Cb 0.16 -3.64 -0.12 0.00 0.03 0.00 0.00 46.19 42.62 3gjx s LEU 156 CO 0.13 -0.55 1.89 -2.65 0.23 0.00 0.00 176.35 175.40 3gjx n PRO 157 N 1.30 2.18 0.00 1.29 -0.02 -1.26 -0.73 135.00 137.76 3gjx n PRO 157 Ca 0.02 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3gjx n PRO 157 Cb 0.42 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 3gjx n PRO 157 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gjx n GLY 158 N 4.45 0.55 0.09 -1.23 0.00 -1.26 -2.96 105.19 104.83 3gjx n GLY 158 Ca 0.23 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.35 3gjx n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gjx n GLY 159 N -1.72 4.79 3.41 -0.02 0.00 0.09 -1.24 105.19 110.50 3gjx n GLY 159 Ca 0.00 -1.12 -0.20 0.00 0.00 0.00 0.00 46.02 44.70 3gjx n GLY 159 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gjx s ASN 160 N -2.84 1.98 0.00 1.61 2.20 -1.21 -1.60 114.94 115.08 3gjx s ASN 160 Ca 0.31 -1.40 0.00 0.00 -0.94 0.00 0.00 52.86 50.83 3gjx s ASN 160 Cb 0.28 0.04 0.00 0.00 -2.00 0.00 0.00 41.25 39.57 3gjx s ASN 160 CO 0.03 -0.67 0.00 -2.11 -2.94 0.00 0.00 177.10 171.40 3gjx n ARG 161 N -0.62 0.00 -1.23 3.55 1.85 -1.25 -4.33 116.66 114.63 3gjx n ARG 161 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 3gjx n ARG 161 Cb 0.66 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.07 3gjx n ARG 161 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3gjx n ALA 166 N 1.08 -2.61 -2.13 2.89 0.00 -1.26 -4.85 120.51 113.63 3gjx n ALA 166 Ca 0.00 0.20 -0.42 0.00 0.00 0.00 0.00 53.44 53.22 3gjx n ALA 166 Cb 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3gjx n ALA 166 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gjx n LYS 167 N 0.78 3.74 -1.09 0.00 5.02 -1.26 -4.62 118.16 120.73 3gjx n LYS 167 Ca 0.00 -3.33 -0.17 0.00 -2.02 0.00 0.00 58.31 52.79 3gjx n LYS 167 Cb 0.00 -2.90 0.18 0.00 -0.02 0.00 0.00 35.03 32.30 3gjx n LYS 167 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3gjx n ASP 168 N 3.65 3.36 -4.37 4.39 5.68 -1.26 -4.46 116.55 123.55 3gjx n ASP 168 Ca 0.48 -3.68 -0.39 0.00 -0.50 0.00 0.00 54.79 50.70 3gjx n ASP 168 Cb 0.33 -0.77 0.02 0.00 -1.14 0.00 0.00 41.12 39.57 3gjx n ASP 168 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gjx n TYR 169 N -1.14 -1.66 -4.65 2.11 0.18 -1.26 -2.87 117.16 107.87 3gjx n TYR 169 Ca 0.50 0.48 -0.23 0.00 1.88 0.00 0.00 57.90 60.53 3gjx n TYR 169 Cb 1.43 -1.84 -0.16 0.00 -0.38 0.00 0.00 39.34 38.39 3gjx n TYR 169 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 3gjx s THR 170 N -1.81 1.14 -0.09 -3.48 2.01 0.53 -0.85 115.64 113.09 3gjx s THR 170 Ca 0.63 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 62.06 3gjx s THR 170 Cb -0.50 -0.98 0.02 0.00 0.01 0.00 0.00 72.50 71.05 3gjx s THR 170 CO 0.60 0.33 -0.10 -0.63 -0.69 0.00 0.00 174.62 174.13 3gjx s ILE 171 N -0.00 1.11 0.29 1.82 1.01 0.95 -0.09 121.20 126.29 3gjx s ILE 171 Ca -0.01 -0.40 0.07 0.00 0.00 0.00 0.00 60.65 60.31 3gjx s ILE 171 Cb -0.09 -1.07 -0.06 0.00 0.01 0.00 0.00 42.46 41.25 3gjx s ILE 171 CO 0.01 0.37 -0.06 -0.76 0.00 0.00 0.00 174.94 174.49 3gjx s LEU 172 N 1.20 2.53 -0.22 2.97 1.43 -0.09 -1.32 118.68 125.17 3gjx s LEU 172 Ca -0.04 -1.20 0.01 0.00 -1.03 0.00 0.00 54.13 51.87 3gjx s LEU 172 Cb -0.14 -0.71 0.03 0.00 0.03 0.00 0.00 46.19 45.41 3gjx s LEU 172 CO -0.03 -0.32 -0.13 -0.62 0.23 0.00 0.00 176.35 175.48 3gjx s ASP 173 N -3.48 3.88 0.17 2.29 3.68 -0.02 -1.91 116.67 121.30 3gjx s ASP 173 Ca 0.30 -0.92 0.04 0.00 2.13 0.00 0.00 52.55 54.09 3gjx s ASP 173 Cb 0.04 -1.56 -0.05 0.00 -1.45 0.00 0.00 42.92 39.90 3gjx s ASP 173 CO 0.13 -0.09 -0.05 0.00 0.13 0.00 0.00 175.17 175.29 3gjx s ILE 175 N -3.44 2.72 -0.29 0.00 1.01 0.90 -0.60 121.20 121.51 3gjx s ILE 175 Ca 0.21 -1.21 -0.29 0.00 0.00 0.00 0.00 60.65 59.36 3gjx s ILE 175 Cb 0.04 -2.45 0.00 0.00 0.01 0.00 0.00 42.46 40.06 3gjx s ILE 175 CO 0.03 0.11 1.29 -0.47 0.00 0.00 0.00 174.94 175.90 3gjx s TYR 176 N 1.27 2.70 -0.27 3.97 5.04 0.34 -0.02 117.35 130.38 3gjx s TYR 176 Ca -0.02 0.88 -0.13 0.00 -2.44 0.00 0.00 57.07 55.36 3gjx s TYR 176 Cb -0.18 -3.88 -0.04 0.00 0.35 0.00 0.00 41.96 38.21 3gjx s TYR 176 CO -0.04 -1.69 0.30 1.21 -1.34 0.00 0.00 175.55 173.99 3gjx s ASN 177 N 2.72 6.16 0.06 4.32 3.84 0.05 0.15 114.94 132.24 3gjx s ASN 177 Ca 0.56 0.16 -0.28 0.00 0.21 0.00 0.00 52.86 53.52 3gjx s ASN 177 Cb -0.17 -2.18 -0.17 0.00 -0.55 0.00 0.00 41.25 38.18 3gjx s ASN 177 CO 0.22 -0.14 1.56 -0.08 -2.79 0.00 0.00 177.10 175.88 3gjx h GLU 178 N 8.25 -0.46 -0.72 0.43 4.81 -1.85 -1.64 114.58 123.41 3gjx h GLU 178 Ca -0.33 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 58.99 3gjx h GLU 178 Cb 1.17 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.60 3gjx h GLU 178 CO 0.61 -0.25 0.42 0.28 -0.73 0.00 0.00 179.01 179.34 3gjx h VAL 179 N -0.57 1.00 -0.17 0.32 2.07 -1.95 -2.33 116.25 114.62 3gjx h VAL 179 Ca -0.05 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3gjx h VAL 179 Cb 0.43 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3gjx h VAL 179 CO 0.08 0.14 0.00 0.59 0.02 0.00 0.00 177.57 178.40 3gjx n ASN 180 N -4.73 1.61 -3.89 0.57 3.02 -1.19 -4.91 115.26 105.73 3gjx n ASN 180 Ca 0.09 -1.71 -0.29 0.00 -0.03 0.00 0.00 54.58 52.64 3gjx n ASN 180 Cb 0.16 -0.11 -0.07 0.00 -0.61 0.00 0.00 39.78 39.16 3gjx n ASN 180 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gjx n GLN 181 N 0.29 -0.86 -4.61 3.52 6.02 -0.65 -4.86 117.38 116.24 3gjx n GLN 181 Ca 0.16 0.09 -0.31 0.00 -0.01 0.00 0.00 57.00 56.93 3gjx n GLN 181 Cb 0.32 -3.26 -0.17 0.00 1.02 0.00 0.00 30.24 28.15 3gjx n GLN 181 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3gjx s THR 182 N -3.35 1.87 -0.54 5.09 2.01 -1.02 -3.19 115.64 116.51 3gjx s THR 182 Ca 0.36 -0.86 -0.28 0.00 0.31 0.00 0.00 61.69 61.22 3gjx s THR 182 Cb -0.21 -1.66 0.03 0.00 0.01 0.00 0.00 72.50 70.67 3gjx s THR 182 CO 0.79 0.51 1.12 -0.31 -0.69 0.00 0.00 174.62 176.04 3gjx s TYR 183 N 0.86 2.71 -0.39 4.92 2.02 -0.06 -0.77 117.35 126.64 3gjx s TYR 183 Ca -0.07 0.42 -0.29 0.00 -0.37 0.00 0.00 57.07 56.76 3gjx s TYR 183 Cb -0.15 -4.39 0.02 0.00 -0.40 0.00 0.00 41.96 37.04 3gjx s TYR 183 CO -0.02 -1.44 1.08 0.71 -1.57 0.00 0.00 175.55 174.32 3gjx s TYR 184 N 4.58 3.01 -0.11 2.71 2.02 0.98 -2.42 117.35 128.13 3gjx s TYR 184 Ca 0.42 0.95 -0.30 0.00 -0.37 0.00 0.00 57.07 57.77 3gjx s TYR 184 Cb -0.08 -3.97 -0.03 0.00 -0.40 0.00 0.00 41.96 37.48 3gjx s TYR 184 CO 0.26 -0.97 1.32 0.08 -1.57 0.00 0.00 175.55 174.68 3gjx s VAL 185 N 3.93 4.11 -0.07 0.71 1.01 0.39 -0.07 120.40 130.40 3gjx s VAL 185 Ca 0.45 1.39 0.21 0.00 0.00 0.00 0.00 61.98 64.03 3gjx s VAL 185 Cb -0.10 -3.89 -0.32 0.00 0.00 0.00 0.00 36.38 32.07 3gjx s VAL 185 CO 0.22 -0.09 0.37 -0.11 0.00 0.00 0.00 175.10 175.50 3gjx n LEU 186 N 6.27 0.00 -3.58 3.92 7.94 0.51 -1.88 117.00 130.18 3gjx n LEU 186 Ca 0.14 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.98 3gjx n LEU 186 Cb 0.45 0.13 -0.02 0.00 0.53 0.00 0.00 43.42 44.51 3gjx n LEU 186 CO 0.57 0.13 0.82 -0.62 -1.11 0.00 0.00 177.39 177.18 3gjx s ASP 187 N -4.77 -0.24 -0.04 1.96 -1.08 -0.82 -4.95 116.67 106.72 3gjx s ASP 187 Ca -0.09 -0.07 0.03 0.00 -0.52 0.00 0.00 52.55 51.90 3gjx s ASP 187 Cb 0.12 0.31 0.00 0.00 -1.46 0.00 0.00 42.92 41.89 3gjx s ASP 187 CO 0.89 -0.52 -0.14 0.68 0.52 0.00 0.00 175.17 176.60 3gjx s VAL 188 N -2.87 1.18 -0.05 1.11 -7.23 -1.26 -0.84 120.40 110.44 3gjx s VAL 188 Ca 0.08 -0.56 0.10 0.00 -1.81 0.00 0.00 61.98 59.79 3gjx s VAL 188 Cb -0.00 -1.04 -0.15 0.00 0.56 0.00 0.00 36.38 35.75 3gjx s VAL 188 CO -0.06 0.35 0.15 0.23 -0.31 0.00 0.00 175.10 175.47 3gjx n MET 189 N 3.32 1.17 -3.66 4.82 0.00 -0.44 -4.76 117.12 117.58 3gjx n MET 189 Ca -0.19 -0.06 -0.10 0.00 0.00 0.00 0.00 57.70 57.35 3gjx n MET 189 Cb 0.53 -1.26 -0.11 0.00 0.00 0.00 0.00 33.22 32.38 3gjx n MET 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3gjx s TRP 191 N 2.48 2.16 -0.87 0.00 -0.11 -0.83 -0.03 118.94 121.74 3gjx s TRP 191 Ca -0.01 -0.40 -0.02 0.00 1.22 0.00 0.00 56.10 56.89 3gjx s TRP 191 Cb -0.12 -1.32 0.00 0.00 -1.50 0.00 0.00 33.47 30.53 3gjx s TRP 191 CO -0.11 0.06 0.04 -2.13 -4.62 0.00 0.00 176.95 170.19 3gjx n ARG 192 N 2.04 -0.92 -1.00 5.86 0.63 -1.24 0.67 116.66 122.70 3gjx n ARG 192 Ca -0.17 0.03 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 3gjx n ARG 192 Cb 0.52 -1.94 0.00 0.00 0.45 0.00 0.00 32.46 31.49 3gjx n ARG 192 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3gjx n GLY 193 N -1.88 0.50 3.08 5.14 0.00 -0.03 -4.77 105.19 107.23 3gjx n GLY 193 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 3gjx n GLY 193 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gjx s HIS 194 N -2.07 2.82 0.48 1.61 5.04 0.21 -4.92 115.29 118.48 3gjx s HIS 194 Ca 0.00 -1.80 -0.23 0.00 -1.54 0.00 0.00 55.06 51.49 3gjx s HIS 194 Cb 0.00 -1.86 -0.07 0.00 0.04 0.00 0.00 32.58 30.69 3gjx s HIS 194 CO 0.00 -0.81 1.29 -2.14 -2.34 0.00 0.00 174.74 170.74 3gjx s PRO 195 N 1.27 3.54 0.00 2.88 0.02 -1.26 -1.96 135.00 139.49 3gjx s PRO 195 Ca 0.00 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.11 3gjx s PRO 195 Cb -0.15 -2.44 0.00 0.00 0.02 0.00 0.00 34.50 31.93 3gjx s PRO 195 CO -0.10 -0.82 0.74 1.19 -0.33 0.00 0.00 177.00 177.67 3gjx n PHE 196 N -0.56 0.00 -0.30 6.54 3.72 0.70 -4.73 117.46 122.83 3gjx n PHE 196 Ca 0.08 -0.25 0.06 0.00 -0.05 0.00 0.00 57.45 57.28 3gjx n PHE 196 Cb 0.45 -0.02 0.20 0.00 -0.94 0.00 0.00 39.48 39.17 3gjx n PHE 196 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 176.76 178.59 3gjx h TYR 197 N 0.00 0.82 0.00 1.38 -1.99 -1.86 -1.72 116.97 113.60 3gjx h TYR 197 Ca 0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 3gjx h TYR 197 Cb 0.29 -0.24 0.00 0.00 2.00 0.00 0.00 36.73 38.78 3gjx h TYR 197 CO 0.00 0.26 0.00 -0.25 -0.00 0.00 0.00 178.16 178.17 3gjx n ASP 198 N -4.81 0.07 -4.66 3.88 8.00 -1.26 -1.41 116.55 116.35 3gjx n ASP 198 Ca 0.16 -1.36 -0.32 0.00 0.71 0.00 0.00 54.79 53.98 3gjx n ASP 198 Cb 0.37 -0.03 -0.09 0.00 -0.02 0.00 0.00 41.12 41.35 3gjx n ASP 198 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gjx n GLN 200 N 1.40 1.16 -0.20 0.00 6.02 -1.26 -4.17 117.38 120.32 3gjx n GLN 200 Ca -0.15 0.44 -0.05 0.00 -0.01 0.00 0.00 57.00 57.23 3gjx n GLN 200 Cb 0.53 -2.29 0.05 0.00 1.02 0.00 0.00 30.24 29.54 3gjx n GLN 200 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 3gjx h THR 201 N 0.83 1.07 -0.77 5.09 2.02 -1.11 -0.31 112.91 119.73 3gjx h THR 201 Ca -0.49 -0.24 0.05 0.00 0.77 0.00 0.00 66.41 66.50 3gjx h THR 201 Cb 1.34 0.31 -0.05 0.00 -1.74 0.00 0.00 68.15 68.02 3gjx h THR 201 CO 0.53 0.13 0.51 -2.24 0.37 0.00 0.00 175.52 174.82 3gjx h ASP 202 N 0.70 0.78 0.13 4.18 -0.00 -1.78 0.64 116.42 121.06 3gjx h ASP 202 Ca 0.23 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.25 3gjx h ASP 202 Cb 0.02 -0.17 0.00 0.00 -0.00 0.00 0.00 39.33 39.17 3gjx h ASP 202 CO -0.10 0.52 -0.06 0.15 -0.00 0.00 0.00 179.24 179.75 3gjx h PHE 203 N 0.90 -0.16 -0.56 4.15 3.57 -1.71 0.62 116.94 123.75 3gjx h PHE 203 Ca 0.32 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.93 3gjx h PHE 203 Cb 0.13 0.05 -0.10 0.00 2.79 0.00 0.00 35.95 38.83 3gjx h PHE 203 CO -0.00 0.19 -0.04 0.00 -2.23 0.00 0.00 178.31 176.23 3gjx h ARG 204 N -0.53 0.08 -0.35 1.11 3.08 -0.32 0.34 114.38 117.79 3gjx h ARG 204 Ca -0.02 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3gjx h ARG 204 Cb 0.42 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 3gjx h ARG 204 CO 0.03 0.05 0.13 0.74 -1.07 0.00 0.00 179.97 179.85 3gjx h PHE 205 N 0.08 0.53 -0.17 3.04 0.05 0.29 -1.90 116.94 118.86 3gjx h PHE 205 Ca 0.28 -0.04 0.04 0.00 3.82 0.00 0.00 57.97 62.07 3gjx h PHE 205 Cb 0.45 -0.16 -0.04 0.00 2.00 0.00 0.00 35.95 38.20 3gjx h PHE 205 CO -0.38 0.50 -0.07 -0.92 -0.18 0.00 0.00 178.31 177.26 3gjx h TYR 206 N 0.41 -0.16 -1.00 -0.55 5.03 0.39 -2.49 116.97 118.59 3gjx h TYR 206 Ca 0.11 0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.50 3gjx h TYR 206 Cb 0.20 0.10 -0.06 0.00 1.55 0.00 0.00 36.73 38.51 3gjx h TYR 206 CO -0.00 -0.11 0.65 2.35 -1.32 0.00 0.00 178.16 179.73 3gjx h TRP 207 N -0.05 1.21 -0.46 -3.82 2.91 -0.19 -2.66 115.95 112.90 3gjx h TRP 207 Ca 0.09 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.13 3gjx h TRP 207 Cb 0.18 -0.40 -0.02 0.00 -0.51 0.00 0.00 29.16 28.41 3gjx h TRP 207 CO -0.22 0.65 0.24 1.98 -1.03 0.00 0.00 178.44 180.06 3gjx h MET 208 N 1.21 0.65 -0.00 2.65 4.05 -0.96 -1.68 114.93 120.85 3gjx h MET 208 Ca 0.42 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.76 3gjx h MET 208 Cb 0.11 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.79 3gjx h MET 208 CO -0.16 0.53 -0.07 0.72 0.23 0.00 0.00 176.91 178.17 3gjx n HIS 209 N -4.67 0.00 -0.06 1.39 8.25 -0.97 -1.64 115.22 117.52 3gjx n HIS 209 Ca 0.01 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.42 3gjx n HIS 209 Cb 0.09 -0.16 -0.11 0.00 1.12 0.00 0.00 29.99 30.93 3gjx n HIS 209 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3gjx n SER 210 N -0.95 1.61 0.05 0.41 3.41 -1.08 -4.52 113.62 112.55 3gjx n SER 210 Ca 0.16 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.55 3gjx n SER 210 Cb 0.25 0.90 -0.15 0.00 -0.26 0.00 0.00 64.21 64.96 3gjx n SER 210 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3gjx h LYS 211 N 0.00 0.36 0.03 4.33 6.56 -1.27 -3.38 116.57 123.19 3gjx h LYS 211 Ca -0.35 -0.61 -0.00 0.00 -1.06 0.00 0.00 60.65 58.63 3gjx h LYS 211 Cb 1.76 0.23 0.00 0.00 -0.57 0.00 0.00 32.23 33.65 3gjx h LYS 211 CO 0.02 1.29 -0.01 -0.07 -2.06 0.00 0.00 179.45 178.62 3gjx h LEU 212 N 0.03 -0.03 0.00 2.94 3.38 -1.54 -2.36 115.31 117.74 3gjx h LEU 212 Ca -0.35 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3gjx h LEU 212 Cb 2.03 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.79 3gjx h LEU 212 CO 0.15 0.04 0.02 -2.65 0.09 0.00 0.00 178.44 176.08 3gjx n PRO 213 N -5.08 0.00 -0.09 1.13 -0.02 -1.26 -2.29 135.00 127.39 3gjx n PRO 213 Ca -0.07 0.41 -0.10 0.00 -2.02 0.00 0.00 63.50 61.71 3gjx n PRO 213 Cb 0.07 -1.52 -0.16 0.00 -0.02 0.00 0.00 33.50 31.87 3gjx n PRO 213 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3gjx n GLU 214 N -1.40 0.68 -2.27 -0.52 1.02 -0.89 -4.89 120.64 112.36 3gjx n GLU 214 Ca 0.00 0.03 -0.43 0.00 -0.02 0.00 0.00 57.16 56.74 3gjx n GLU 214 Cb 0.02 -1.55 -0.02 0.00 -0.02 0.00 0.00 31.44 29.87 3gjx n GLU 214 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3gjx s GLU 215 N -2.50 4.08 0.01 3.49 0.41 -0.97 -4.87 118.70 118.34 3gjx s GLU 215 Ca -0.11 1.70 -0.03 0.00 -0.41 0.00 0.00 54.97 56.13 3gjx s GLU 215 Cb 0.06 -3.89 -0.01 0.00 -1.78 0.00 0.00 34.13 28.52 3gjx s GLU 215 CO 0.82 -0.93 0.43 -1.91 -0.49 0.00 0.00 175.26 173.17 3gjx n GLU 216 N 7.06 -0.04 -1.65 1.61 4.07 -1.26 -2.41 120.64 128.02 3gjx n GLU 216 Ca 0.16 0.42 -0.04 0.00 -0.06 0.00 0.00 57.16 57.64 3gjx n GLU 216 Cb 0.45 -0.63 0.08 0.00 -0.06 0.00 0.00 31.44 31.28 3gjx n GLU 216 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3gjx n GLY 217 N -1.02 3.98 0.35 8.31 0.00 -1.26 -4.81 105.19 110.74 3gjx n GLY 217 Ca 0.00 -1.56 0.08 0.00 0.00 0.00 0.00 46.02 44.54 3gjx n GLY 217 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3gjx h LEU 218 N 1.67 0.57 -1.69 0.99 5.85 -1.80 0.15 115.31 121.05 3gjx h LEU 218 Ca 0.03 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3gjx h LEU 218 Cb 1.40 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.32 3gjx h LEU 218 CO 0.28 0.36 0.00 0.61 -0.34 0.00 0.00 178.44 179.35 3gjx n GLY 219 N -1.47 1.66 3.05 3.75 0.00 -1.25 -0.84 105.19 110.09 3gjx n GLY 219 Ca 0.11 -0.31 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 3gjx n GLY 219 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gjx s GLU 220 N -1.62 0.63 -0.35 1.61 2.56 0.52 -4.79 118.70 117.27 3gjx s GLU 220 Ca 0.18 -0.54 -0.18 0.00 0.00 0.00 0.00 54.97 54.43 3gjx s GLU 220 Cb 0.13 -0.55 -0.00 0.00 2.00 0.00 0.00 34.13 35.71 3gjx s GLU 220 CO 0.07 0.13 0.53 0.21 -0.56 0.00 0.00 175.26 175.64 3gjx s LYS 221 N -0.88 3.65 0.35 4.30 2.20 -1.26 -4.67 119.74 123.42 3gjx s LYS 221 Ca -0.02 -0.11 0.04 0.00 -0.36 0.00 0.00 55.97 55.52 3gjx s LYS 221 Cb -0.06 -3.80 -0.01 0.00 -1.51 0.00 0.00 37.83 32.44 3gjx s LYS 221 CO 0.00 -0.64 0.37 0.95 -0.36 0.00 0.00 175.35 175.68 3gjx s THR 222 N 2.42 0.00 0.20 3.43 -4.23 -0.82 -4.96 115.64 111.69 3gjx s THR 222 Ca 0.19 -1.83 -0.05 0.00 -1.18 0.00 0.00 61.69 58.83 3gjx s THR 222 Cb -0.15 -2.58 0.01 0.00 1.34 0.00 0.00 72.50 71.12 3gjx s THR 222 CO 0.13 0.00 1.59 0.50 -0.54 0.00 0.00 174.62 176.30 3gjx h LYS 223 N 2.09 0.76 0.00 3.99 3.64 -1.97 -1.47 116.57 123.61 3gjx h LYS 223 Ca -0.26 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 58.78 3gjx h LYS 223 Cb 1.23 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3gjx h LYS 223 CO 0.37 0.95 0.00 1.25 -2.27 0.00 0.00 179.45 179.75 3gjx h LEU 224 N 0.64 0.00 -5.88 5.20 5.85 -1.97 -3.37 115.31 115.78 3gjx h LEU 224 Ca 0.08 0.00 -0.50 0.00 0.84 0.00 0.00 57.88 58.29 3gjx h LEU 224 Cb 0.82 0.00 -0.36 0.00 0.37 0.00 0.00 40.66 41.49 3gjx h LEU 224 CO 0.07 0.00 -1.05 -3.20 -0.34 0.00 0.00 178.44 173.92 3gjx n ASN 225 N -2.41 -0.06 0.01 1.25 5.15 -1.02 -2.96 115.26 115.21 3gjx n ASN 225 Ca 0.04 -2.84 0.10 0.00 -0.60 0.00 0.00 54.58 51.28 3gjx n ASN 225 Cb 0.39 -0.33 0.53 0.00 -0.53 0.00 0.00 39.78 39.85 3gjx n ASN 225 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3gjx h PRO 226 N 3.76 0.31 -5.27 1.20 0.11 -1.42 -2.17 132.00 128.53 3gjx h PRO 226 Ca 0.05 -0.02 -0.64 0.00 0.11 0.00 0.00 66.00 65.50 3gjx h PRO 226 Cb 0.92 -0.07 -0.23 0.00 0.11 0.00 0.00 31.00 31.73 3gjx h PRO 226 CO 0.45 0.21 -0.69 -0.06 -0.21 0.00 0.00 178.00 177.69 3gjx s PHE 227 N -5.31 2.98 0.11 0.65 0.40 -1.26 -4.72 117.98 110.83 3gjx s PHE 227 Ca -0.07 -0.43 -0.25 0.00 -0.60 0.00 0.00 56.93 55.58 3gjx s PHE 227 Cb 0.19 -1.96 -0.07 0.00 0.51 0.00 0.00 43.02 41.69 3gjx s PHE 227 CO 0.73 -0.13 0.78 0.15 0.70 0.00 0.00 175.22 177.45 3gjx s LYS 228 N 0.50 4.54 -0.18 0.44 1.02 -1.19 -4.87 119.74 120.00 3gjx s LYS 228 Ca -0.04 1.13 -0.03 0.00 0.02 0.00 0.00 55.97 57.04 3gjx s LYS 228 Cb -0.15 -3.31 -0.02 0.00 -0.52 0.00 0.00 37.83 33.83 3gjx s LYS 228 CO 0.03 0.43 -0.05 -0.06 -0.92 0.00 0.00 175.35 174.78 3gjx s PHE 229 N -0.63 2.97 -0.04 3.18 0.08 -0.02 -0.88 117.98 122.64 3gjx s PHE 229 Ca 0.37 -0.55 0.01 0.00 0.12 0.00 0.00 56.93 56.88 3gjx s PHE 229 Cb -0.22 -2.00 0.02 0.00 -0.57 0.00 0.00 43.02 40.26 3gjx s PHE 229 CO 0.25 -0.23 -0.02 0.08 -0.10 0.00 0.00 175.22 175.20 3gjx s VAL 230 N 0.76 0.34 0.21 -0.44 1.01 -1.01 -3.78 120.40 117.49 3gjx s VAL 230 Ca -0.02 -0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 3gjx s VAL 230 Cb -0.15 -0.40 -0.08 0.00 0.00 0.00 0.00 36.38 35.75 3gjx s VAL 230 CO 0.02 0.18 1.00 -0.83 0.00 0.00 0.00 175.10 175.47 3gjx s GLY 231 N 0.96 3.04 0.37 4.51 0.00 -1.26 -0.47 107.32 114.48 3gjx s GLY 231 Ca -0.11 0.70 -0.25 0.00 0.00 0.00 0.00 44.72 45.07 3gjx s GLY 231 CO -0.01 1.38 0.99 1.08 0.00 0.00 0.00 173.10 176.55 3gjx s LEU 232 N -0.86 4.20 0.43 0.66 1.43 -0.79 -4.86 118.68 118.89 3gjx s LEU 232 Ca 0.44 1.91 -0.22 0.00 -1.03 0.00 0.00 54.13 55.24 3gjx s LEU 232 Cb -0.27 -4.16 -0.10 0.00 0.03 0.00 0.00 46.19 41.69 3gjx s LEU 232 CO 0.34 -0.30 0.99 -0.54 0.23 0.00 0.00 176.35 177.07 3gjx s LYS 233 N -2.39 4.11 0.21 1.70 1.02 -1.26 -5.00 119.74 118.13 3gjx s LYS 233 Ca 0.55 1.27 0.09 0.00 0.02 0.00 0.00 55.97 57.90 3gjx s LYS 233 Cb -0.19 -2.26 -0.04 0.00 -0.52 0.00 0.00 37.83 34.82 3gjx s LYS 233 CO 0.24 -0.15 -0.08 0.54 -0.92 0.00 0.00 175.35 174.98 3gjx s ASN 234 N -1.98 4.26 0.05 2.83 2.20 -1.26 -3.88 114.94 117.16 3gjx s ASN 234 Ca 0.62 -0.64 -0.00 0.00 -0.94 0.00 0.00 52.86 51.90 3gjx s ASN 234 Cb -0.14 -0.71 -0.03 0.00 -2.00 0.00 0.00 41.25 38.37 3gjx s ASN 234 CO 0.18 0.07 -0.04 -0.36 -2.94 0.00 0.00 177.10 174.01 3gjx s PHE 235 N -1.95 0.53 0.95 1.54 0.40 -0.04 -4.95 117.98 114.45 3gjx s PHE 235 Ca 0.27 -0.86 -0.10 0.00 -0.60 0.00 0.00 56.93 55.64 3gjx s PHE 235 Cb -0.08 -0.36 0.17 0.00 0.51 0.00 0.00 43.02 43.26 3gjx s PHE 235 CO 0.16 -0.27 1.13 -1.25 0.70 0.00 0.00 175.22 175.69 3gjx s PRO 236 N -3.08 0.72 -0.09 0.24 0.04 -1.26 -0.58 135.00 130.99 3gjx s PRO 236 Ca 0.00 1.43 0.15 0.00 0.04 0.00 0.00 61.00 62.62 3gjx s PRO 236 Cb 0.01 -1.70 0.48 0.00 0.04 0.00 0.00 34.50 33.33 3gjx s PRO 236 CO -0.06 -2.79 1.40 0.00 0.04 0.00 0.00 177.00 175.59 3gjx n THR 238 N 0.27 4.21 -0.27 0.00 -2.24 -1.25 -4.01 114.28 110.99 3gjx n THR 238 Ca 0.18 -0.50 0.03 0.00 -2.27 0.00 0.00 64.05 61.50 3gjx n THR 238 Cb 0.70 -1.37 0.17 0.00 -2.10 0.00 0.00 70.33 67.72 3gjx n THR 238 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3gjx h PRO 239 N 0.69 0.65 -0.00 -0.78 0.11 -1.94 -0.82 132.00 129.91 3gjx h PRO 239 Ca -0.50 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 3gjx h PRO 239 Cb 1.34 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3gjx h PRO 239 CO 0.53 0.43 -0.00 0.93 -0.21 0.00 0.00 178.00 179.68 3gjx h GLU 240 N 0.67 0.01 -0.40 1.05 3.07 -1.99 -3.12 114.58 113.87 3gjx h GLU 240 Ca 0.40 -0.00 0.08 0.00 -0.50 0.00 0.00 59.36 59.34 3gjx h GLU 240 Cb 0.44 -0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.27 3gjx h GLU 240 CO -0.29 0.35 -0.13 1.03 -1.40 0.00 0.00 179.01 178.57 3gjx h SER 241 N -0.34 -0.46 -0.97 1.42 0.87 -1.77 -1.89 113.55 110.42 3gjx h SER 241 Ca 0.00 0.13 0.14 0.00 -1.23 0.00 0.00 61.79 60.83 3gjx h SER 241 Cb 0.35 0.28 -0.08 0.00 -0.44 0.00 0.00 62.40 62.51 3gjx h SER 241 CO 0.00 -0.16 0.61 -0.07 -0.53 0.00 0.00 176.83 176.68 3gjx h LEU 242 N -0.04 0.80 -0.82 2.23 3.38 -1.17 0.53 115.31 120.24 3gjx h LEU 242 Ca 0.20 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.16 3gjx h LEU 242 Cb 0.34 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3gjx h LEU 242 CO -0.43 0.39 0.21 0.00 0.09 0.00 0.00 178.44 178.70 3gjx h ASP 244 N 1.05 0.06 0.27 0.00 3.45 -0.56 -2.71 116.42 117.97 3gjx h ASP 244 Ca 0.23 -0.61 -0.02 0.00 0.43 0.00 0.00 57.03 57.06 3gjx h ASP 244 Cb 0.31 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 39.06 3gjx h ASP 244 CO -0.01 0.66 -0.10 -0.37 -1.57 0.00 0.00 179.24 177.85 3gjx h VAL 245 N -0.53 0.62 0.00 -1.35 -1.51 -1.34 0.50 116.25 112.63 3gjx h VAL 245 Ca -0.00 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 3gjx h VAL 245 Cb 0.65 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 31.08 3gjx h VAL 245 CO 0.01 0.10 0.00 -0.11 -1.23 0.00 0.00 177.57 176.34 3gjx n LEU 246 N -3.76 0.00 -0.06 4.19 7.94 -0.95 -2.57 117.00 121.79 3gjx n LEU 246 Ca -0.02 0.33 0.01 0.00 -1.11 0.00 0.00 56.01 55.22 3gjx n LEU 246 Cb 0.21 -0.33 0.01 0.00 0.53 0.00 0.00 43.42 43.84 3gjx n LEU 246 CO 0.30 -0.06 0.39 -1.20 -1.11 0.00 0.00 177.39 175.72 3gjx n SER 247 N -1.33 1.60 -4.81 1.96 7.64 0.16 -5.06 113.62 113.78 3gjx n SER 247 Ca 0.11 -1.53 -0.30 0.00 1.01 0.00 0.00 58.87 58.16 3gjx n SER 247 Cb 0.22 -0.01 0.09 0.00 -1.01 0.00 0.00 64.21 63.49 3gjx n SER 247 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3gjx s MET 248 N -0.55 2.12 -0.17 1.43 -1.94 -0.25 -5.06 119.30 114.89 3gjx s MET 248 Ca 0.02 0.61 -0.05 0.00 -1.71 0.00 0.00 55.69 54.55 3gjx s MET 248 Cb 0.01 -1.92 -0.03 0.00 2.01 0.00 0.00 34.83 34.89 3gjx s MET 248 CO 0.02 -1.59 0.01 -0.51 -0.01 0.00 0.00 175.02 172.94 3gjx s ASP 249 N -3.95 5.18 0.00 3.03 1.01 -1.26 -5.05 116.67 115.63 3gjx s ASP 249 Ca 0.61 -0.03 0.05 0.00 0.71 0.00 0.00 52.55 53.89 3gjx s ASP 249 Cb -0.14 -1.86 -0.03 0.00 1.01 0.00 0.00 42.92 41.90 3gjx s ASP 249 CO 0.54 0.18 -0.15 -0.36 0.21 0.00 0.00 175.17 175.58 3gjx s PHE 250 N 0.34 2.65 -2.00 4.23 0.40 -1.26 -4.99 117.98 117.35 3gjx s PHE 250 Ca -0.01 -0.20 0.04 0.00 -0.60 0.00 0.00 56.93 56.17 3gjx s PHE 250 Cb -0.13 -1.54 0.24 0.00 0.51 0.00 0.00 43.02 42.09 3gjx s PHE 250 CO 0.02 0.24 0.67 -0.35 0.70 0.00 0.00 175.22 176.50 3gjx n PRO 251 N 1.84 0.14 -4.22 0.24 -0.04 -1.26 -4.67 135.00 127.04 3gjx n PRO 251 Ca -0.16 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.16 3gjx n PRO 251 Cb 0.52 -1.44 -0.10 0.00 -0.04 0.00 0.00 33.50 32.45 3gjx n PRO 251 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3gjx s PHE 252 N -2.00 1.27 0.12 0.54 -0.71 -1.26 -5.04 117.98 110.90 3gjx s PHE 252 Ca 0.06 -1.43 -0.30 0.00 -1.04 0.00 0.00 56.93 54.22 3gjx s PHE 252 Cb 0.03 -0.59 -0.07 0.00 -1.21 0.00 0.00 43.02 41.18 3gjx s PHE 252 CO 0.05 -0.68 1.21 -1.21 -1.34 0.00 0.00 175.22 173.25 3gjx s GLU 253 N -4.04 4.45 -0.02 1.99 0.41 -1.26 -5.01 118.70 115.23 3gjx s GLU 253 Ca 0.39 1.83 -0.28 0.00 -0.41 0.00 0.00 54.97 56.50 3gjx s GLU 253 Cb 0.06 -3.30 -0.03 0.00 -1.78 0.00 0.00 34.13 29.08 3gjx s GLU 253 CO 0.15 -0.19 0.89 0.08 -0.49 0.00 0.00 175.26 175.70 3gjx s VAL 254 N 0.58 4.92 -0.22 2.63 1.01 -1.26 -1.65 120.40 126.41 3gjx s VAL 254 Ca 0.56 1.87 -0.17 0.00 0.00 0.00 0.00 61.98 64.24 3gjx s VAL 254 Cb -0.31 -4.23 -0.14 0.00 0.00 0.00 0.00 36.38 31.70 3gjx s VAL 254 CO 0.32 0.19 -0.07 -0.67 0.00 0.00 0.00 175.10 174.88 3gjx n ASP 255 N 3.84 1.89 -1.16 3.32 4.64 0.09 -4.71 116.55 124.45 3gjx n ASP 255 Ca 0.04 0.41 -0.00 0.00 -1.38 0.00 0.00 54.79 53.86 3gjx n ASP 255 Cb 0.51 -0.89 0.00 0.00 -1.04 0.00 0.00 41.12 39.70 3gjx n ASP 255 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3gjx n GLY 256 N 1.40 1.13 3.16 0.27 0.00 -1.21 -4.41 105.19 105.53 3gjx n GLY 256 Ca -0.35 -0.92 -0.28 0.00 0.00 0.00 0.00 46.02 44.47 3gjx n GLY 256 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gjx s LEU 257 N 0.00 1.94 -0.13 0.99 1.43 -0.24 -1.34 118.68 121.34 3gjx s LEU 257 Ca 0.02 -0.42 -0.06 0.00 -1.03 0.00 0.00 54.13 52.63 3gjx s LEU 257 Cb -0.00 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 45.05 3gjx s LEU 257 CO 0.00 0.15 0.10 -0.76 0.23 0.00 0.00 176.35 176.07 3gjx s LEU 258 N 0.17 4.12 -0.24 1.79 1.43 -1.00 -1.27 118.68 123.67 3gjx s LEU 258 Ca -0.09 0.32 -0.04 0.00 -1.03 0.00 0.00 54.13 53.29 3gjx s LEU 258 Cb -0.14 -2.00 -0.00 0.00 0.03 0.00 0.00 46.19 44.08 3gjx s LEU 258 CO 0.04 0.35 -0.01 -0.36 0.23 0.00 0.00 176.35 176.60 3gjx s PHE 259 N -0.66 3.03 -0.14 0.29 0.08 0.73 -0.97 117.98 120.34 3gjx s PHE 259 Ca 0.12 -1.01 -0.06 0.00 0.12 0.00 0.00 56.93 56.10 3gjx s PHE 259 Cb -0.12 -2.14 -0.04 0.00 -0.57 0.00 0.00 43.02 40.15 3gjx s PHE 259 CO 0.02 -0.57 0.08 0.71 -0.10 0.00 0.00 175.22 175.37 3gjx s TYR 260 N 1.47 3.37 0.05 0.36 2.02 -0.08 -0.49 117.35 124.04 3gjx s TYR 260 Ca 0.04 0.28 -0.31 0.00 -0.37 0.00 0.00 57.07 56.72 3gjx s TYR 260 Cb -0.15 -1.98 -0.06 0.00 -0.40 0.00 0.00 41.96 39.37 3gjx s TYR 260 CO -0.02 0.43 1.26 -1.58 -1.57 0.00 0.00 175.55 174.08 3gjx s HIS 261 N -0.37 3.29 0.56 2.71 5.65 -0.41 -1.33 115.29 125.39 3gjx s HIS 261 Ca 0.10 1.16 0.26 0.00 0.25 0.00 0.00 55.06 56.83 3gjx s HIS 261 Cb -0.12 -3.50 1.50 0.00 -1.18 0.00 0.00 32.58 29.28 3gjx s HIS 261 CO 0.02 -1.63 2.06 0.87 -0.65 0.00 0.00 174.74 175.40 3gjx h LYS 262 N 7.04 0.00 -0.02 2.88 1.57 -1.68 -2.87 116.57 123.49 3gjx h LYS 262 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 3gjx h LYS 262 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3gjx h LYS 262 CO 0.84 0.00 -0.23 1.04 -0.57 0.00 0.00 179.45 180.54 3gjx n GLN 263 N -4.10 1.54 -2.64 3.15 6.02 -1.26 -1.59 117.38 118.49 3gjx n GLN 263 Ca 0.04 -1.17 -0.41 0.00 -0.01 0.00 0.00 57.00 55.45 3gjx n GLN 263 Cb 0.41 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 30.16 3gjx n GLN 263 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3gjx s THR 264 N -2.27 4.34 1.12 5.09 -1.32 -1.08 -4.59 115.64 116.93 3gjx s THR 264 Ca 0.25 1.90 -0.14 0.00 -1.21 0.00 0.00 61.69 62.49 3gjx s THR 264 Cb 0.19 -4.21 0.25 0.00 -1.51 0.00 0.00 72.50 67.22 3gjx s THR 264 CO 0.45 0.27 1.06 -1.00 -2.21 0.00 0.00 174.62 173.19 3gjx s HIS 265 N 0.14 1.48 -0.43 9.09 3.76 -1.26 -2.76 115.29 125.31 3gjx s HIS 265 Ca 0.49 0.94 -0.21 0.00 -0.15 0.00 0.00 55.06 56.14 3gjx s HIS 265 Cb -0.25 -3.21 0.02 0.00 1.11 0.00 0.00 32.58 30.25 3gjx s HIS 265 CO 0.31 -3.53 0.65 -0.47 -0.85 0.00 0.00 174.74 170.85 3gjx s TYR 266 N -2.76 3.07 -0.15 1.40 6.14 -0.50 -4.93 117.35 119.63 3gjx s TYR 266 Ca 0.67 0.01 -0.00 0.00 0.64 0.00 0.00 57.07 58.39 3gjx s TYR 266 Cb -0.19 -3.33 0.03 0.00 0.42 0.00 0.00 41.96 38.89 3gjx s TYR 266 CO 0.60 -0.84 -0.08 -1.54 0.64 0.00 0.00 175.55 174.33 3gjx s SER 267 N 1.98 2.63 0.76 4.32 1.04 -1.26 -4.76 113.70 118.41 3gjx s SER 267 Ca 0.23 -0.53 -0.15 0.00 0.48 0.00 0.00 55.95 55.99 3gjx s SER 267 Cb -0.14 -0.96 0.06 0.00 0.10 0.00 0.00 66.02 65.08 3gjx s SER 267 CO 0.19 -0.14 1.23 -2.84 0.98 0.00 0.00 173.24 172.66 3gjx s PRO 268 N 1.62 1.90 0.00 4.02 0.02 -1.26 -4.26 135.00 137.04 3gjx s PRO 268 Ca 0.03 1.85 0.00 0.00 0.02 0.00 0.00 61.00 62.89 3gjx s PRO 268 Cb -0.14 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.58 3gjx s PRO 268 CO -0.08 -2.04 0.00 0.41 -0.33 0.00 0.00 177.00 174.96 3gjx n GLY 269 N 0.60 1.33 3.81 0.52 0.00 -0.38 -4.85 105.19 106.23 3gjx n GLY 269 Ca 0.14 -2.00 -0.33 0.00 0.00 0.00 0.00 46.02 43.83 3gjx n GLY 269 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gjx s SER 270 N -0.02 6.31 -0.01 1.61 1.04 -1.25 0.76 113.70 122.13 3gjx s SER 270 Ca 0.00 1.78 -0.25 0.00 0.48 0.00 0.00 55.95 57.97 3gjx s SER 270 Cb 0.00 -2.54 0.05 0.00 0.10 0.00 0.00 66.02 63.64 3gjx s SER 270 CO 0.00 -0.80 0.54 0.28 0.98 0.00 0.00 173.24 174.24 3gjx s THR 271 N -2.30 0.02 -0.76 2.02 -1.32 0.18 -4.81 115.64 108.68 3gjx s THR 271 Ca 0.64 -0.19 0.26 0.00 -1.21 0.00 0.00 61.69 61.19 3gjx s THR 271 Cb -0.14 -0.89 0.28 0.00 -1.51 0.00 0.00 72.50 70.23 3gjx s THR 271 CO 0.27 -0.10 1.79 -0.81 -2.21 0.00 0.00 174.62 173.56 3gjx n PRO 272 N 0.87 0.22 0.00 7.08 -0.05 -1.26 -2.60 135.00 139.25 3gjx n PRO 272 Ca -0.19 0.20 0.07 0.00 -0.05 0.00 0.00 63.50 63.52 3gjx n PRO 272 Cb 0.58 -1.76 0.33 0.00 -0.05 0.00 0.00 33.50 32.59 3gjx n PRO 272 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 175.50 176.73 3gjx n LEU 273 N -2.15 0.00 -3.95 1.53 4.77 -1.26 -4.40 117.00 111.55 3gjx n LEU 273 Ca 0.05 0.34 -0.19 0.00 -0.03 0.00 0.00 56.01 56.19 3gjx n LEU 273 Cb 0.40 -0.34 -0.15 0.00 -2.33 0.00 0.00 43.42 41.00 3gjx n LEU 273 CO 0.29 -0.19 -0.41 0.54 -1.33 0.00 0.00 177.39 176.29 3gjx s VAL 274 N -2.68 0.56 0.17 4.08 0.11 -1.24 -1.29 120.40 120.11 3gjx s VAL 274 Ca 0.11 -0.22 0.11 0.00 -2.93 0.00 0.00 61.98 59.05 3gjx s VAL 274 Cb 0.09 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.37 3gjx s VAL 274 CO 0.22 0.19 -0.22 -0.83 -3.33 0.00 0.00 175.10 171.13 3gjx s GLY 275 N 0.35 1.68 -0.12 6.54 0.00 0.36 -1.38 107.32 114.75 3gjx s GLY 275 Ca -0.05 -1.54 0.02 0.00 0.00 0.00 0.00 44.72 43.16 3gjx s GLY 275 CO 0.00 -1.55 -0.20 0.86 0.00 0.00 0.00 173.10 172.21 3gjx s TRP 276 N -1.47 2.66 0.04 1.90 -0.11 0.10 -0.19 118.94 121.88 3gjx s TRP 276 Ca 0.19 -1.03 0.06 0.00 1.22 0.00 0.00 56.10 56.54 3gjx s TRP 276 Cb -0.09 -1.78 -0.02 0.00 -1.50 0.00 0.00 33.47 30.08 3gjx s TRP 276 CO 0.10 -0.43 -0.16 -0.51 -4.62 0.00 0.00 176.95 171.33 3gjx s LEU 277 N 0.51 2.18 0.53 5.86 1.43 -0.40 -1.47 118.68 127.32 3gjx s LEU 277 Ca -0.13 -0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 52.34 3gjx s LEU 277 Cb -0.17 -0.72 -0.06 0.00 0.03 0.00 0.00 46.19 45.27 3gjx s LEU 277 CO 0.05 0.07 0.96 -0.13 0.23 0.00 0.00 176.35 177.53 3gjx s ARG 278 N -1.21 3.80 0.19 1.70 1.81 -1.26 -1.07 118.95 122.91 3gjx s ARG 278 Ca 0.03 0.79 -0.12 0.00 -1.72 0.00 0.00 55.73 54.72 3gjx s ARG 278 Cb -0.08 -2.17 0.16 0.00 -0.45 0.00 0.00 34.95 32.41 3gjx s ARG 278 CO 0.02 -0.33 1.82 -1.35 -0.68 0.00 0.00 175.30 174.78 3gjx h PRO 279 N 0.55 0.68 0.00 3.54 0.11 -1.93 -1.54 132.00 133.42 3gjx h PRO 279 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3gjx h PRO 279 Cb 1.19 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3gjx h PRO 279 CO 0.62 0.45 0.00 2.48 -0.21 0.00 0.00 178.00 181.34 3gjx n TYR 280 N -4.76 0.37 0.07 0.65 0.18 -1.26 -2.17 117.16 110.24 3gjx n TYR 280 Ca 0.06 0.18 -0.03 0.00 1.88 0.00 0.00 57.90 59.98 3gjx n TYR 280 Cb 0.10 -0.78 -0.07 0.00 -0.38 0.00 0.00 39.34 38.21 3gjx n TYR 280 CO 0.00 0.00 0.00 0.52 -2.08 0.00 0.00 176.86 175.30 3gjx h MET 281 N 0.00 0.00 -0.41 -3.48 2.86 -1.66 -3.38 114.93 108.86 3gjx h MET 281 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 3gjx h MET 281 Cb 0.09 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 3gjx h MET 281 CO 0.00 0.67 0.08 -0.39 1.06 0.00 0.00 176.91 178.33 3gjx h VAL 282 N 0.00 1.24 -0.05 -2.22 -1.51 -1.49 -2.38 116.25 109.84 3gjx h VAL 282 Ca -0.06 -0.85 0.01 0.00 -1.23 0.00 0.00 66.70 64.57 3gjx h VAL 282 Cb 1.65 1.01 -0.00 0.00 -2.13 0.00 0.00 31.29 31.81 3gjx h VAL 282 CO 0.09 0.29 0.15 0.77 -1.23 0.00 0.00 177.57 177.64 3gjx h SER 283 N 0.52 0.00 0.00 4.19 4.64 -1.74 -3.08 113.55 118.08 3gjx h SER 283 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3gjx h SER 283 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3gjx h SER 283 CO 0.01 0.00 -0.22 0.44 -0.87 0.00 0.00 176.83 176.19 3gjx h ASP 284 N 0.00 0.00 0.00 4.97 3.32 -1.68 -3.39 116.42 119.64 3gjx h ASP 284 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3gjx h ASP 284 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3gjx h ASP 284 CO -0.00 0.47 0.00 0.52 -1.72 0.00 0.00 179.24 178.51 3gjx n VAL 285 N -3.98 0.00 0.00 -1.35 0.31 -0.93 -4.83 118.33 107.56 3gjx n VAL 285 Ca -0.03 1.25 0.00 0.00 -0.01 0.00 0.00 64.34 65.55 3gjx n VAL 285 Cb 0.11 -2.25 0.00 0.00 -0.91 0.00 0.00 33.84 30.79 3gjx n VAL 285 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3gjx n LEU 286 N -1.27 0.00 -4.80 7.52 4.77 -1.22 -4.98 117.00 117.02 3gjx n LEU 286 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 3gjx n LEU 286 Cb 0.00 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.18 3gjx n LEU 286 CO 0.00 0.00 0.71 -0.83 -1.33 0.00 0.00 177.39 175.94 3gjx s GLY 287 N 0.00 1.62 -0.11 -0.72 0.00 -1.26 -5.02 107.32 101.83 3gjx s GLY 287 Ca 0.00 -0.19 0.02 0.00 0.00 0.00 0.00 44.72 44.55 3gjx s GLY 287 CO 0.00 0.24 -0.15 0.14 0.00 0.00 0.00 173.10 173.33 3gjx s VAL 288 N -3.14 1.51 0.20 1.40 1.01 -1.26 -4.41 120.40 115.72 3gjx s VAL 288 Ca 0.61 -0.65 -0.23 0.00 0.00 0.00 0.00 61.98 61.70 3gjx s VAL 288 Cb -0.15 -1.38 0.05 0.00 0.00 0.00 0.00 36.38 34.91 3gjx s VAL 288 CO 0.54 0.44 0.88 0.00 0.00 0.00 0.00 175.10 176.97 3gjx s ALA 289 N 0.95 -1.48 0.00 5.51 0.00 -1.26 -5.10 121.76 120.37 3gjx s ALA 289 Ca -0.07 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.82 3gjx s ALA 289 Cb -0.15 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.68 3gjx s ALA 289 CO -0.01 -1.04 0.00 1.55 0.00 0.00 0.00 175.76 176.26 3gjx n VAL 290 N -0.48 0.00 0.00 0.00 3.14 -1.26 -4.82 118.33 114.91 3gjx n VAL 290 Ca -0.05 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 3gjx n VAL 290 Cb 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.38 3gjx n VAL 290 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3gjx n HIS 349 N 3.97 0.00 -3.86 1.45 -0.00 -1.26 -5.21 115.22 110.31 3gjx n HIS 349 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.63 3gjx n HIS 349 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 29.93 3gjx n HIS 349 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 3gjx s SER 350 N -1.69 -0.04 0.00 4.39 0.01 -1.26 -5.15 113.70 109.96 3gjx s SER 350 Ca 0.00 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.58 3gjx s SER 350 Cb 0.00 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.68 3gjx s SER 350 CO 0.00 -0.89 0.00 -2.65 0.41 0.00 0.00 173.24 170.11 3gjx n PRO 351 N -0.21 0.00 -3.95 12.44 -0.02 -1.26 -5.01 135.00 136.99 3gjx n PRO 351 Ca -0.10 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.42 3gjx n PRO 351 Cb 0.63 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 34.12 3gjx n PRO 351 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3gjx s ASP 352 N 0.00 -0.00 -0.07 2.55 1.11 -1.26 -5.18 116.67 113.83 3gjx s ASP 352 Ca 0.00 -0.01 0.03 0.00 0.18 0.00 0.00 52.55 52.75 3gjx s ASP 352 Cb 0.00 0.01 -0.02 0.00 1.07 0.00 0.00 42.92 43.98 3gjx s ASP 352 CO 0.00 -0.02 -0.14 -1.00 1.18 0.00 0.00 175.17 175.19 3gjx s HIS 353 N -2.00 2.72 0.10 4.23 3.76 -1.26 -5.08 115.29 117.76 3gjx s HIS 353 Ca 0.29 -0.28 -0.31 0.00 -0.15 0.00 0.00 55.06 54.61 3gjx s HIS 353 Cb 0.01 -1.68 -0.09 0.00 1.11 0.00 0.00 32.58 31.93 3gjx s HIS 353 CO -0.04 0.09 1.77 -2.14 -0.85 0.00 0.00 174.74 173.57 3gjx s PRO 354 N -0.47 4.16 0.10 8.40 0.02 -1.26 -4.92 135.00 141.03 3gjx s PRO 354 Ca 0.06 2.49 -0.33 0.00 0.02 0.00 0.00 61.00 63.25 3gjx s PRO 354 Cb -0.12 -3.62 -0.13 0.00 0.02 0.00 0.00 34.50 30.65 3gjx s PRO 354 CO 0.02 -0.81 1.58 0.78 -0.33 0.00 0.00 177.00 178.24 3gjx h GLY 355 N 8.68 -0.99 0.00 0.52 0.00 -2.05 -3.46 103.07 105.77 3gjx h GLY 355 Ca -0.45 0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3gjx h GLY 355 CO 0.94 -0.30 0.00 0.00 0.00 0.00 0.00 176.54 177.18 3gjx s LEU 357 N 0.00 4.40 0.00 0.00 1.02 -1.26 -5.07 118.68 117.78 3gjx s LEU 357 Ca 0.00 0.75 0.00 0.00 0.02 0.00 0.00 54.13 54.90 3gjx s LEU 357 Cb 0.00 -2.64 0.00 0.00 0.02 0.00 0.00 46.19 43.57 3gjx s LEU 357 CO 0.00 0.28 0.00 0.23 0.02 0.00 0.00 176.35 176.88 3gjx n MET 358 N 1.43 0.00 0.00 1.70 2.81 -1.26 -4.98 117.12 116.82 3gjx n MET 358 Ca -0.13 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.76 3gjx n MET 358 Cb 0.53 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.04 3gjx n MET 358 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3gjx n GLU 359 N 11.49 0.00 0.00 0.03 -0.58 -1.26 -5.21 120.64 125.11 3gjx n GLU 359 Ca 0.00 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.80 3gjx n GLU 359 Cb 0.00 0.00 0.38 0.00 -0.57 0.00 0.00 31.44 31.25 3gjx n GLU 359 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94