#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gm6 s LEU 6 N 0.00 4.46 -0.13 3.41 1.43 -1.26 -5.04 118.68 121.55 3gm6 s LEU 6 Ca 0.00 2.49 0.01 0.00 -1.03 0.00 0.00 54.13 55.60 3gm6 s LEU 6 Cb 0.00 -3.63 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 3gm6 s LEU 6 CO 0.00 -0.42 -0.16 -0.54 0.23 0.00 0.00 176.35 175.46 3gm6 s LYS 7 N -1.23 3.26 0.52 1.70 -0.14 -1.26 -5.12 119.74 117.47 3gm6 s LYS 7 Ca 0.50 -0.75 -0.20 0.00 -1.36 0.00 0.00 55.97 54.15 3gm6 s LYS 7 Cb -0.37 -2.55 -0.06 0.00 -1.68 0.00 0.00 37.83 33.17 3gm6 s LYS 7 CO 0.46 0.15 1.13 -1.25 -0.76 0.00 0.00 175.35 175.08 3gm6 s PRO 8 N 0.48 3.47 0.29 -1.68 0.04 -1.26 -4.86 135.00 131.48 3gm6 s PRO 8 Ca -0.11 1.64 0.07 0.00 0.04 0.00 0.00 61.00 62.64 3gm6 s PRO 8 Cb -0.16 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 3gm6 s PRO 8 CO 0.05 -0.76 0.26 0.14 0.04 0.00 0.00 177.00 176.73 3gm6 s VAL 9 N -1.73 4.02 -0.66 -0.36 -7.23 -1.26 -5.06 120.40 108.13 3gm6 s VAL 9 Ca 0.70 -1.36 -0.27 0.00 -1.81 0.00 0.00 61.98 59.24 3gm6 s VAL 9 Cb -0.25 -3.31 0.02 0.00 0.56 0.00 0.00 36.38 33.40 3gm6 s VAL 9 CO 0.28 -0.26 1.36 -0.62 -0.31 0.00 0.00 175.10 175.55 3gm6 s ASP 10 N -3.93 6.11 0.42 4.85 -1.08 -1.26 -4.84 116.67 116.95 3gm6 s ASP 10 Ca 0.37 -0.09 0.12 0.00 -0.52 0.00 0.00 52.55 52.43 3gm6 s ASP 10 Cb -0.07 -2.55 0.91 0.00 -1.46 0.00 0.00 42.92 39.74 3gm6 s ASP 10 CO 0.26 -1.80 1.97 0.00 0.52 0.00 0.00 175.17 176.12 3gm6 h ALA 11 N 10.71 1.63 -0.72 3.66 0.00 -2.01 -2.55 119.26 129.98 3gm6 h ALA 11 Ca -0.27 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.49 3gm6 h ALA 11 Cb 1.07 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 3gm6 h ALA 11 CO 1.23 0.27 0.48 0.52 0.00 0.00 0.00 179.25 181.75 3gm6 h MET 12 N 0.15 0.92 -0.93 0.00 2.86 -1.99 0.13 114.93 116.07 3gm6 h MET 12 Ca 0.03 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 3gm6 h MET 12 Cb 0.30 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 31.71 3gm6 h MET 12 CO 0.02 0.61 0.55 0.37 1.06 0.00 0.00 176.91 179.52 3gm6 h GLN 13 N 0.95 1.26 -0.43 1.72 4.15 -1.87 -2.43 115.11 118.46 3gm6 h GLN 13 Ca 0.27 -0.12 -0.12 0.00 0.77 0.00 0.00 58.65 59.45 3gm6 h GLN 13 Cb -0.07 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 27.35 3gm6 h GLN 13 CO -0.06 0.89 -0.21 0.00 -1.93 0.00 0.00 178.83 177.51 3gm6 h PHE 15 N 0.73 0.00 -1.00 0.00 0.04 -0.66 -2.07 116.94 113.98 3gm6 h PHE 15 Ca 0.10 0.00 0.22 0.00 2.80 0.00 0.00 57.97 61.09 3gm6 h PHE 15 Cb 0.78 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.83 3gm6 h PHE 15 CO 0.06 0.17 0.62 -0.44 -0.60 0.00 0.00 178.31 178.12 3gm6 h ASP 16 N 0.00 0.64 0.00 2.17 3.45 -1.44 -2.59 116.42 118.65 3gm6 h ASP 16 Ca -0.00 0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.56 3gm6 h ASP 16 Cb 0.42 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.18 3gm6 h ASP 16 CO 0.02 0.18 -0.81 0.00 -1.57 0.00 0.00 179.24 177.06 3gm6 n HIS 18 N -1.43 3.17 -0.19 0.00 8.25 -0.84 -4.93 115.22 119.26 3gm6 n HIS 18 Ca 0.02 -4.05 -0.04 0.00 -0.26 0.00 0.00 57.72 53.39 3gm6 n HIS 18 Cb 0.25 -0.52 0.15 0.00 1.12 0.00 0.00 29.99 30.99 3gm6 n HIS 18 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 3gm6 h THR 19 N 2.92 1.24 -0.30 1.59 1.35 -1.87 -0.67 112.91 117.17 3gm6 h THR 19 Ca 0.17 -0.82 0.01 0.00 -0.55 0.00 0.00 66.41 65.22 3gm6 h THR 19 Cb 0.66 0.54 -0.02 0.00 -1.73 0.00 0.00 68.15 67.60 3gm6 h THR 19 CO 0.78 0.32 0.18 1.56 -0.25 0.00 0.00 175.52 178.10 3gm6 h GLN 20 N 0.93 0.35 -0.45 4.72 4.20 -1.93 -0.61 115.11 122.32 3gm6 h GLN 20 Ca 0.21 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.88 3gm6 h GLN 20 Cb 0.27 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 3gm6 h GLN 20 CO -0.01 0.23 0.21 0.82 -0.67 0.00 0.00 178.83 179.42 3gm6 h ILE 21 N 0.36 1.19 -0.40 2.54 1.08 -1.91 -2.35 117.51 118.01 3gm6 h ILE 21 Ca 0.12 -0.53 0.08 0.00 -0.39 0.00 0.00 64.86 64.13 3gm6 h ILE 21 Cb -0.00 0.70 -0.07 0.00 -3.07 0.00 0.00 36.82 34.38 3gm6 h ILE 21 CO -0.05 0.21 -0.02 -0.08 -0.69 0.00 0.00 178.15 177.51 3gm6 h GLU 22 N 0.59 0.08 -0.30 2.37 4.81 -0.85 0.18 114.58 121.45 3gm6 h GLU 22 Ca 0.15 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3gm6 h GLU 22 Cb 0.13 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3gm6 h GLU 22 CO -0.02 0.05 0.11 -0.44 -0.73 0.00 0.00 179.01 177.98 3gm6 h ASP 23 N 0.08 0.38 0.08 1.04 3.32 -0.77 -1.88 116.42 118.67 3gm6 h ASP 23 Ca 0.20 -0.03 -0.20 0.00 0.02 0.00 0.00 57.03 57.01 3gm6 h ASP 23 Cb 0.29 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 3gm6 h ASP 23 CO -0.35 0.36 -1.03 0.24 -1.72 0.00 0.00 179.24 176.75 3gm6 h MET 24 N 0.42 0.18 -0.18 3.56 2.86 -0.87 -3.38 114.93 117.52 3gm6 h MET 24 Ca 0.11 -0.30 -0.03 0.00 -2.06 0.00 0.00 59.70 57.41 3gm6 h MET 24 Cb 0.11 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 3gm6 h MET 24 CO -0.01 1.14 -0.02 1.25 1.06 0.00 0.00 176.91 180.34 3gm6 h HIS 25 N -0.54 0.36 0.00 -0.22 -0.00 -0.60 -2.96 115.15 111.19 3gm6 h HIS 25 Ca -0.23 -0.07 0.00 0.00 -0.00 0.00 0.00 60.37 60.07 3gm6 h HIS 25 Cb 1.54 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 28.86 3gm6 h HIS 25 CO 0.16 0.56 0.00 1.79 -0.00 0.00 0.00 177.93 180.44 3gm6 h THR 26 N 0.06 0.00 0.02 6.26 1.35 -1.55 -3.15 112.91 115.90 3gm6 h THR 26 Ca 0.05 -0.33 -0.37 0.00 -0.55 0.00 0.00 66.41 65.21 3gm6 h THR 26 Cb 0.43 1.25 -0.06 0.00 -1.73 0.00 0.00 68.15 68.03 3gm6 h THR 26 CO 0.01 0.00 -2.31 0.52 -0.25 0.00 0.00 175.52 173.49 3gm6 n VAL 27 N -2.89 1.52 -1.48 6.82 0.31 -1.21 -4.84 118.33 116.57 3gm6 n VAL 27 Ca -0.00 -0.69 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 3gm6 n VAL 27 Cb 0.23 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 3gm6 n VAL 27 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gm6 n GLY 28 N 2.01 -0.20 0.23 2.92 0.00 -1.12 -4.96 105.19 104.07 3gm6 n GLY 28 Ca -0.37 -1.80 0.06 0.00 0.00 0.00 0.00 46.02 43.91 3gm6 n GLY 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gm6 n LYS 29 N -0.89 1.30 -0.50 1.61 5.02 -1.10 -2.75 118.16 120.85 3gm6 n LYS 29 Ca 0.00 -0.46 0.08 0.00 -2.02 0.00 0.00 58.31 55.91 3gm6 n LYS 29 Cb 0.00 -1.23 0.28 0.00 -0.02 0.00 0.00 35.03 34.06 3gm6 n LYS 29 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3gm6 n HIS 30 N -0.24 1.11 0.24 2.13 8.25 -1.26 -4.71 115.22 120.75 3gm6 n HIS 30 Ca 0.10 -0.81 0.15 0.00 -0.26 0.00 0.00 57.72 56.90 3gm6 n HIS 30 Cb 0.15 -0.32 0.82 0.00 1.12 0.00 0.00 29.99 31.76 3gm6 n HIS 30 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gm6 h ALA 31 N 2.28 1.77 -0.05 -1.41 0.00 -1.47 -0.87 119.26 119.51 3gm6 h ALA 31 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gm6 h ALA 31 Cb 1.48 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3gm6 h ALA 31 CO 0.25 -0.15 0.00 0.25 0.00 0.00 0.00 179.25 179.60 3gm6 n THR 32 N -3.99 0.04 -3.13 0.00 -2.24 -1.26 -4.89 114.28 98.81 3gm6 n THR 32 Ca -0.01 -0.38 -0.42 0.00 -2.27 0.00 0.00 64.05 60.97 3gm6 n THR 32 Cb 0.20 0.91 -0.07 0.00 -2.10 0.00 0.00 70.33 69.28 3gm6 n THR 32 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gm6 s VAL 33 N -1.96 4.89 0.51 2.28 1.01 -0.33 -5.04 120.40 121.75 3gm6 s VAL 33 Ca 0.34 0.33 -0.21 0.00 0.00 0.00 0.00 61.98 62.43 3gm6 s VAL 33 Cb 0.20 -4.11 -0.06 0.00 0.00 0.00 0.00 36.38 32.41 3gm6 s VAL 33 CO 0.32 -0.42 1.19 0.21 0.00 0.00 0.00 175.10 176.39 3gm6 s ASN 34 N 1.88 5.82 0.55 3.32 3.84 -1.26 -4.93 114.94 124.17 3gm6 s ASN 34 Ca 0.22 2.34 0.24 0.00 0.21 0.00 0.00 52.86 55.88 3gm6 s ASN 34 Cb -0.14 -2.60 1.48 0.00 -0.55 0.00 0.00 41.25 39.44 3gm6 s ASN 34 CO 0.16 -1.16 2.10 0.00 -2.79 0.00 0.00 177.10 175.42 3gm6 h VAL 36 N 0.00 0.00 0.00 0.00 3.04 -1.89 -0.18 116.25 117.22 3gm6 h VAL 36 Ca 0.09 -0.15 -0.01 0.00 -1.01 0.00 0.00 66.70 65.62 3gm6 h VAL 36 Cb 0.42 1.14 -0.00 0.00 -2.01 0.00 0.00 31.29 30.84 3gm6 h VAL 36 CO -0.00 0.00 -0.06 0.45 -1.01 0.00 0.00 177.57 176.95 3gm6 h HIS 37 N 0.00 0.00 0.00 3.17 3.86 -1.81 -3.35 115.15 117.02 3gm6 h HIS 37 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3gm6 h HIS 37 Cb 0.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.62 3gm6 h HIS 37 CO 0.00 0.06 0.00 0.00 0.86 0.00 0.00 177.93 178.85 3gm6 s HIS 39 N -0.14 0.81 -0.33 0.00 3.76 -0.16 -0.05 115.29 119.17 3gm6 s HIS 39 Ca 0.00 -0.21 -0.01 0.00 -0.15 0.00 0.00 55.06 54.69 3gm6 s HIS 39 Cb 0.00 -0.51 0.07 0.00 1.11 0.00 0.00 32.58 33.25 3gm6 s HIS 39 CO 0.00 -0.01 0.05 0.34 -0.85 0.00 0.00 174.74 174.27 3gm6 s ASP 40 N -0.50 4.94 -0.05 1.40 -1.08 -0.74 -4.24 116.67 116.40 3gm6 s ASP 40 Ca 0.01 -1.62 0.08 0.00 -0.52 0.00 0.00 52.55 50.50 3gm6 s ASP 40 Cb -0.05 -1.72 0.11 0.00 -1.46 0.00 0.00 42.92 39.81 3gm6 s ASP 40 CO 0.00 -0.35 0.99 0.00 0.52 0.00 0.00 175.17 176.33 3gm6 n ALA 41 N 4.55 1.97 0.01 3.66 0.00 -1.26 -1.47 120.51 127.97 3gm6 n ALA 41 Ca -0.08 -1.58 -0.11 0.00 0.00 0.00 0.00 53.44 51.67 3gm6 n ALA 41 Cb 0.42 -0.24 -0.06 0.00 0.00 0.00 0.00 19.45 19.57 3gm6 n ALA 41 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3gm6 h THR 42 N 1.67 1.03 -0.40 0.00 2.02 -1.99 -0.02 112.91 115.22 3gm6 h THR 42 Ca 0.00 -0.06 -0.11 0.00 0.77 0.00 0.00 66.41 67.00 3gm6 h THR 42 Cb 0.93 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 3gm6 h THR 42 CO 0.00 0.02 -0.21 -0.33 0.37 0.00 0.00 175.52 175.38 3gm6 h GLU 43 N 0.07 0.78 -0.47 6.66 5.08 -1.95 -2.84 114.58 121.91 3gm6 h GLU 43 Ca 0.02 -0.31 0.08 0.00 -1.00 0.00 0.00 59.36 58.15 3gm6 h GLU 43 Cb 0.01 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.15 3gm6 h GLU 43 CO -0.00 0.92 0.11 1.25 -1.00 0.00 0.00 179.01 180.29 3gm6 h HIS 44 N 0.69 0.18 -0.22 4.33 2.76 -1.62 -2.41 115.15 118.86 3gm6 h HIS 44 Ca 0.10 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.23 3gm6 h HIS 44 Cb 0.72 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.65 3gm6 h HIS 44 CO 0.04 0.02 -0.16 0.28 -1.30 0.00 0.00 177.93 176.81 3gm6 h VAL 45 N 0.25 1.22 0.00 5.26 2.07 -0.79 -0.82 116.25 123.44 3gm6 h VAL 45 Ca 0.23 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 3gm6 h VAL 45 Cb 0.30 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3gm6 h VAL 45 CO -0.29 0.31 -0.03 -0.33 0.02 0.00 0.00 177.57 177.25 3gm6 h GLU 46 N 0.34 0.00 0.00 1.57 5.08 -1.22 -3.37 114.58 116.99 3gm6 h GLU 46 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3gm6 h GLU 46 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3gm6 h GLU 46 CO 0.03 0.03 -0.62 0.25 -1.00 0.00 0.00 179.01 177.71 3gm6 n THR 47 N -3.12 0.00 -1.55 1.13 -2.24 -0.88 -5.08 114.28 102.54 3gm6 n THR 47 Ca 0.02 -0.13 -0.31 0.00 -2.27 0.00 0.00 64.05 61.35 3gm6 n THR 47 Cb 0.41 0.61 0.06 0.00 -2.10 0.00 0.00 70.33 69.30 3gm6 n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gm6 s ALA 48 N -1.50 2.55 0.52 6.98 0.00 -0.37 -4.44 121.76 125.51 3gm6 s ALA 48 Ca 0.00 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.18 3gm6 s ALA 48 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.90 3gm6 s ALA 48 CO 0.00 -1.33 0.07 -1.54 0.00 0.00 0.00 175.76 172.96 3gm6 s SER 49 N -3.47 4.24 0.60 0.00 1.04 -0.10 -4.95 113.70 111.06 3gm6 s SER 49 Ca 0.60 -1.60 0.33 0.00 0.48 0.00 0.00 55.95 55.76 3gm6 s SER 49 Cb -0.16 0.57 1.94 0.00 0.10 0.00 0.00 66.02 68.48 3gm6 s SER 49 CO 0.52 -0.93 2.27 0.77 0.98 0.00 0.00 173.24 176.85 3gm6 h SER 50 N 1.21 0.00 0.00 7.02 4.64 -1.98 -3.17 113.55 121.27 3gm6 h SER 50 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3gm6 h SER 50 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3gm6 h SER 50 CO 0.71 0.01 0.00 -2.11 -0.87 0.00 0.00 176.83 174.57 3gm6 n ARG 51 N -3.63 5.78 -5.16 4.77 1.85 -1.26 -5.04 116.66 113.97 3gm6 n ARG 51 Ca -0.03 -0.05 -0.30 0.00 -1.00 0.00 0.00 57.85 56.48 3gm6 n ARG 51 Cb 0.09 -0.52 -0.16 0.00 -1.05 0.00 0.00 32.46 30.83 3gm6 n ARG 51 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3gm6 s ARG 52 N -0.84 1.94 0.24 2.89 1.81 -1.20 -4.45 118.95 119.35 3gm6 s ARG 52 Ca 0.00 -0.92 0.06 0.00 -1.72 0.00 0.00 55.73 53.15 3gm6 s ARG 52 Cb 0.00 -1.92 0.27 0.00 -0.45 0.00 0.00 34.95 32.84 3gm6 s ARG 52 CO 0.00 0.52 1.57 1.98 -0.68 0.00 0.00 175.30 178.69 3gm6 h MET 53 N 5.38 0.17 0.00 3.54 4.05 -1.93 -0.23 114.93 125.92 3gm6 h MET 53 Ca -0.43 -0.12 0.00 0.00 -0.28 0.00 0.00 59.70 58.87 3gm6 h MET 53 Cb 1.13 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.95 3gm6 h MET 53 CO 0.46 0.74 0.00 0.41 0.23 0.00 0.00 176.91 178.75 3gm6 n GLY 54 N 0.28 1.24 3.77 1.39 0.00 -1.26 -4.08 105.19 106.53 3gm6 n GLY 54 Ca -0.02 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 3gm6 n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gm6 s GLU 55 N 0.00 4.28 -0.08 1.61 0.41 -1.26 -4.94 118.70 118.71 3gm6 s GLU 55 Ca 0.00 2.30 -0.29 0.00 -0.41 0.00 0.00 54.97 56.57 3gm6 s GLU 55 Cb 0.00 -3.03 -0.02 0.00 -1.78 0.00 0.00 34.13 29.30 3gm6 s GLU 55 CO 0.00 -0.28 0.97 0.50 -0.49 0.00 0.00 175.26 175.95 3gm6 s ARG 56 N -1.89 4.45 0.71 1.61 3.52 -1.26 -4.12 118.95 121.96 3gm6 s ARG 56 Ca 0.50 1.34 -0.11 0.00 -0.13 0.00 0.00 55.73 57.33 3gm6 s ARG 56 Cb -0.41 -3.52 0.02 0.00 -1.56 0.00 0.00 34.95 29.48 3gm6 s ARG 56 CO 0.55 -0.22 1.07 -1.25 -0.81 0.00 0.00 175.30 174.64 3gm6 s PRO 57 N 1.69 2.78 0.06 5.12 0.04 -1.26 -4.84 135.00 138.58 3gm6 s PRO 57 Ca 0.48 1.05 -0.21 0.00 0.04 0.00 0.00 61.00 62.36 3gm6 s PRO 57 Cb -0.19 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.32 3gm6 s PRO 57 CO 0.20 -1.23 0.61 0.08 0.04 0.00 0.00 177.00 176.70 3gm6 s VAL 58 N -2.93 4.74 -0.10 -0.36 1.01 -0.54 -4.94 120.40 117.27 3gm6 s VAL 58 Ca 0.60 1.30 0.02 0.00 0.00 0.00 0.00 61.98 63.90 3gm6 s VAL 58 Cb -0.15 -3.95 0.01 0.00 0.00 0.00 0.00 36.38 32.29 3gm6 s VAL 58 CO 0.53 0.50 -0.17 -0.89 0.00 0.00 0.00 175.10 175.07 3gm6 s THR 59 N -0.80 1.61 -0.06 3.92 2.01 -1.26 -1.79 115.64 119.26 3gm6 s THR 59 Ca 0.31 -0.73 -0.30 0.00 0.31 0.00 0.00 61.69 61.28 3gm6 s THR 59 Cb -0.20 -1.44 -0.02 0.00 0.01 0.00 0.00 72.50 70.85 3gm6 s THR 59 CO 0.20 0.46 0.99 -0.13 -0.69 0.00 0.00 174.62 175.45 3gm6 s ARG 60 N 0.75 4.48 0.00 4.92 0.52 0.92 -4.92 118.95 125.63 3gm6 s ARG 60 Ca -0.11 1.39 0.11 0.00 -0.52 0.00 0.00 55.73 56.60 3gm6 s ARG 60 Cb -0.16 -3.51 -0.08 0.00 0.52 0.00 0.00 34.95 31.72 3gm6 s ARG 60 CO 0.02 -0.21 0.54 -1.33 0.02 0.00 0.00 175.30 174.34 3gm6 n MET 61 N 4.56 2.92 -2.01 3.54 2.81 -1.26 -4.97 117.12 122.71 3gm6 n MET 61 Ca 0.07 -0.22 -0.37 0.00 -1.81 0.00 0.00 57.70 55.38 3gm6 n MET 61 Cb 0.50 -1.06 0.02 0.00 -0.71 0.00 0.00 33.22 31.97 3gm6 n MET 61 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 3gm6 s ASP 62 N -1.86 5.56 0.48 7.83 -4.77 -1.26 -4.87 116.67 117.78 3gm6 s ASP 62 Ca 0.06 2.51 0.25 0.00 -3.30 0.00 0.00 52.55 52.07 3gm6 s ASP 62 Cb 0.09 -2.61 1.17 0.00 -1.09 0.00 0.00 42.92 40.48 3gm6 s ASP 62 CO 0.40 -1.35 1.95 -0.07 0.70 0.00 0.00 175.17 176.79 3gm6 h LEU 63 N 1.52 0.00 -2.22 2.11 4.07 -1.94 -2.65 115.31 116.19 3gm6 h LEU 63 Ca -0.50 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.46 3gm6 h LEU 63 Cb 1.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.02 3gm6 h LEU 63 CO 0.58 0.18 0.00 -0.33 -1.08 0.00 0.00 178.44 177.79 3gm6 h GLU 64 N 0.00 0.00 -0.08 1.13 5.08 -1.95 -1.37 114.58 117.40 3gm6 h GLU 64 Ca -0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3gm6 h GLU 64 Cb 0.55 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 3gm6 h GLU 64 CO 0.02 0.00 0.10 0.00 -1.00 0.00 0.00 179.01 178.14 3gm6 h ALA 65 N 2.00 1.61 0.00 3.43 0.00 -1.82 -2.35 119.26 122.13 3gm6 h ALA 65 Ca 0.00 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 3gm6 h ALA 65 Cb 0.26 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3gm6 h ALA 65 CO 0.00 -0.15 -2.13 0.00 0.00 0.00 0.00 179.25 176.97 3gm6 h ALA 67 N 1.48 1.26 -0.15 0.00 0.00 -1.06 -1.75 119.26 119.03 3gm6 h ALA 67 Ca -0.28 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 3gm6 h ALA 67 Cb 1.64 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 3gm6 h ALA 67 CO 0.02 0.17 -0.46 1.79 0.00 0.00 0.00 179.25 180.77 3gm6 h THR 68 N 0.00 1.32 0.00 0.00 1.35 -1.80 -2.41 112.91 111.38 3gm6 h THR 68 Ca -0.00 -1.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.21 3gm6 h THR 68 Cb 0.39 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 3gm6 h THR 68 CO 0.02 0.50 -0.96 0.00 -0.25 0.00 0.00 175.52 174.83 3gm6 n HIS 70 N -1.51 1.22 -0.23 0.00 8.25 -0.67 -4.97 115.22 117.31 3gm6 n HIS 70 Ca 0.04 -3.09 0.01 0.00 -0.26 0.00 0.00 57.72 54.42 3gm6 n HIS 70 Cb 0.33 -0.37 0.13 0.00 1.12 0.00 0.00 29.99 31.20 3gm6 n HIS 70 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3gm6 h THR 71 N 2.51 0.84 -0.68 1.59 2.02 -1.67 -2.36 112.91 115.16 3gm6 h THR 71 Ca -0.01 -0.19 0.02 0.00 0.77 0.00 0.00 66.41 66.99 3gm6 h THR 71 Cb 1.09 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 3gm6 h THR 71 CO 0.54 0.10 0.44 0.00 0.37 0.00 0.00 175.52 176.97 3gm6 h ALA 72 N 1.42 0.87 -0.34 6.16 0.00 -1.93 0.46 119.26 125.90 3gm6 h ALA 72 Ca 0.33 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 3gm6 h ALA 72 Cb 0.35 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3gm6 h ALA 72 CO -0.27 0.25 -0.22 1.96 0.00 0.00 0.00 179.25 180.98 3gm6 h GLN 73 N 0.89 0.75 0.15 0.00 7.50 -1.84 -2.00 115.11 120.55 3gm6 h GLN 73 Ca 0.26 -0.35 0.00 0.00 0.50 0.00 0.00 58.65 59.06 3gm6 h GLN 73 Cb -0.06 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.45 3gm6 h GLN 73 CO -0.07 0.97 -0.13 0.35 -1.50 0.00 0.00 178.83 178.44 3gm6 h PHE 74 N 0.52 -0.34 -0.81 2.96 3.57 -1.15 -1.58 116.94 120.12 3gm6 h PHE 74 Ca 0.07 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 3gm6 h PHE 74 Cb 0.77 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.61 3gm6 h PHE 74 CO 0.06 -0.20 0.35 -0.91 -2.23 0.00 0.00 178.31 175.38 3gm6 h ASN 75 N -0.29 1.09 -0.37 0.41 4.21 -0.87 -1.23 115.58 118.52 3gm6 h ASN 75 Ca -0.00 -0.15 -0.09 0.00 1.21 0.00 0.00 56.30 57.27 3gm6 h ASN 75 Cb 0.27 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 37.17 3gm6 h ASN 75 CO -0.02 0.94 -0.08 0.77 -1.29 0.00 0.00 177.43 177.75 3gm6 h SER 76 N 1.16 0.78 -0.36 5.81 4.64 -1.35 -2.86 113.55 121.36 3gm6 h SER 76 Ca 0.27 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 3gm6 h SER 76 Cb 0.18 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 3gm6 h SER 76 CO -0.03 0.89 0.19 0.15 -0.87 0.00 0.00 176.83 177.16 3gm6 h PHE 77 N 0.72 0.51 0.00 4.77 3.57 -0.60 -3.17 116.94 122.75 3gm6 h PHE 77 Ca 0.13 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.61 3gm6 h PHE 77 Cb 0.55 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.13 3gm6 h PHE 77 CO 0.03 0.42 0.00 1.55 -2.23 0.00 0.00 178.31 178.08 3gm6 n VAL 78 N -4.74 0.38 -1.68 1.41 3.14 -0.53 -4.62 118.33 111.69 3gm6 n VAL 78 Ca -0.01 -0.14 -0.43 0.00 -2.96 0.00 0.00 64.34 60.81 3gm6 n VAL 78 Cb 0.09 -0.59 -0.01 0.00 -1.06 0.00 0.00 33.84 32.27 3gm6 n VAL 78 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 3gm6 n GLU 79 N -1.94 2.05 -3.65 1.45 2.13 -1.09 -4.65 120.64 114.94 3gm6 n GLU 79 Ca 0.06 0.72 -0.37 0.00 0.66 0.00 0.00 57.16 58.24 3gm6 n GLU 79 Cb 0.38 -2.31 -0.09 0.00 0.27 0.00 0.00 31.44 29.69 3gm6 n GLU 79 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3gm6 s VAL 80 N -0.86 5.36 -0.80 6.31 1.01 -1.26 -4.86 120.40 125.30 3gm6 s VAL 80 Ca 0.58 0.20 -0.23 0.00 0.00 0.00 0.00 61.98 62.54 3gm6 s VAL 80 Cb -0.60 -3.51 0.07 0.00 0.00 0.00 0.00 36.38 32.35 3gm6 s VAL 80 CO 0.59 0.35 1.14 -0.60 0.00 0.00 0.00 175.10 176.58 3gm6 s ARG 81 N 1.04 3.32 0.56 2.72 3.52 -1.26 -4.90 118.95 123.95 3gm6 s ARG 81 Ca 0.08 -0.99 0.29 0.00 -0.13 0.00 0.00 55.73 54.98 3gm6 s ARG 81 Cb -0.13 -4.57 1.66 0.00 -1.56 0.00 0.00 34.95 30.34 3gm6 s ARG 81 CO 0.04 -1.94 2.17 0.45 -0.81 0.00 0.00 175.30 175.22 3gm6 h HIS 82 N 9.52 0.00 0.00 5.12 3.86 -2.03 -1.84 115.15 129.78 3gm6 h HIS 82 Ca -0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 3gm6 h HIS 82 Cb 1.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.52 3gm6 h HIS 82 CO 1.10 0.06 0.00 0.39 0.86 0.00 0.00 177.93 180.33 3gm6 n GLU 83 N -3.74 0.14 -2.71 2.45 4.71 -1.26 -4.35 120.64 115.88 3gm6 n GLU 83 Ca -0.02 0.36 -0.42 0.00 -0.01 0.00 0.00 57.16 57.07 3gm6 n GLU 83 Cb 0.16 -1.76 -0.03 0.00 -1.01 0.00 0.00 31.44 28.80 3gm6 n GLU 83 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 3gm6 s SER 84 N -3.88 6.37 0.25 1.62 0.01 -0.69 -4.97 113.70 112.41 3gm6 s SER 84 Ca 0.05 -1.23 -0.31 0.00 1.31 0.00 0.00 55.95 55.77 3gm6 s SER 84 Cb 0.10 -2.49 -0.12 0.00 0.21 0.00 0.00 66.02 63.71 3gm6 s SER 84 CO 0.36 -1.47 1.62 1.41 0.41 0.00 0.00 173.24 175.57 3gm6 n HIS 85 N 8.20 2.71 -3.30 2.43 -0.00 -1.26 -4.82 115.22 119.18 3gm6 n HIS 85 Ca 0.15 0.20 -0.31 0.00 -0.00 0.00 0.00 57.72 57.76 3gm6 n HIS 85 Cb 0.49 -2.61 -0.05 0.00 -0.00 0.00 0.00 29.99 27.82 3gm6 n HIS 85 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 3gm6 s PRO 86 N 0.16 3.80 -1.57 -0.41 0.04 -1.26 -4.41 135.00 131.34 3gm6 s PRO 86 Ca 0.69 0.31 -0.15 0.00 0.04 0.00 0.00 61.00 61.89 3gm6 s PRO 86 Cb -0.53 -2.58 0.11 0.00 0.04 0.00 0.00 34.50 31.54 3gm6 s PRO 86 CO 0.42 0.23 0.88 -2.13 0.04 0.00 0.00 177.00 176.45 3gm6 n ARG 87 N -0.45 -4.59 -3.40 4.56 3.00 -1.26 -4.94 116.66 109.58 3gm6 n ARG 87 Ca 0.01 0.52 -0.41 0.00 -0.00 0.00 0.00 57.85 57.96 3gm6 n ARG 87 Cb 0.53 -5.35 -0.09 0.00 0.00 0.00 0.00 32.46 27.54 3gm6 n ARG 87 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3gm6 s LEU 88 N -7.21 4.62 0.02 6.15 0.20 -1.26 -4.97 118.68 116.23 3gm6 s LEU 88 Ca 0.67 -0.43 -0.30 0.00 0.69 0.00 0.00 54.13 54.76 3gm6 s LEU 88 Cb -0.35 -2.31 -0.05 0.00 -0.43 0.00 0.00 46.19 43.05 3gm6 s LEU 88 CO 0.82 -0.39 1.28 -0.70 -0.29 0.00 0.00 176.35 177.07 3gm6 s GLU 89 N 1.97 4.36 0.40 1.98 2.56 -1.26 -0.74 118.70 127.97 3gm6 s GLU 89 Ca 0.10 1.84 0.19 0.00 0.00 0.00 0.00 54.97 57.11 3gm6 s GLU 89 Cb -0.17 -3.45 0.82 0.00 2.00 0.00 0.00 34.13 33.33 3gm6 s GLU 89 CO 0.12 -0.42 1.80 0.87 -0.56 0.00 0.00 175.26 177.07 3gm6 h LYS 90 N 7.26 0.00 -2.01 4.30 1.57 -1.28 -3.30 116.57 123.12 3gm6 h LYS 90 Ca -0.39 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.27 3gm6 h LYS 90 Cb 1.19 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.46 3gm6 h LYS 90 CO 0.86 0.33 -0.24 0.00 -0.57 0.00 0.00 179.45 179.83 3gm6 n ALA 91 N -2.32 5.46 -2.47 3.86 0.00 -1.26 -1.75 120.51 122.04 3gm6 n ALA 91 Ca -0.01 -1.16 -0.16 0.00 0.00 0.00 0.00 53.44 52.11 3gm6 n ALA 91 Cb 0.45 -1.86 -0.11 0.00 0.00 0.00 0.00 19.45 17.93 3gm6 n ALA 91 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3gm6 s THR 92 N 0.68 1.13 0.61 0.00 -4.23 -1.24 -4.87 115.64 107.71 3gm6 s THR 92 Ca 0.42 -1.70 0.33 0.00 -1.18 0.00 0.00 61.69 59.57 3gm6 s THR 92 Cb 0.20 -1.47 0.38 0.00 1.34 0.00 0.00 72.50 72.95 3gm6 s THR 92 CO 0.00 -0.51 2.26 -0.65 -0.54 0.00 0.00 174.62 175.18 3gm6 h PRO 93 N 3.49 0.00 -0.23 3.99 0.11 -1.89 -2.09 132.00 135.38 3gm6 h PRO 93 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3gm6 h PRO 93 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3gm6 h PRO 93 CO 0.53 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.57 3gm6 n THR 94 N -3.63 0.28 -1.96 -1.15 -2.24 -1.26 -4.83 114.28 99.50 3gm6 n THR 94 Ca -0.02 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 3gm6 n THR 94 Cb 0.12 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 3gm6 n THR 94 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3gm6 n SER 95 N 1.18 0.39 0.14 3.42 2.88 -0.79 -5.05 113.62 115.79 3gm6 n SER 95 Ca 0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 3gm6 n SER 95 Cb 0.55 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.14 3gm6 n SER 95 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3gm6 h ARG 96 N 0.00 0.00 -1.90 -1.46 2.47 -1.79 -3.41 114.38 108.29 3gm6 h ARG 96 Ca 0.00 0.00 -0.47 0.00 -1.26 0.00 0.00 59.98 58.25 3gm6 h ARG 96 Cb 0.00 0.00 -0.32 0.00 -1.65 0.00 0.00 29.97 28.00 3gm6 h ARG 96 CO 0.00 0.61 -0.86 0.45 0.56 0.00 0.00 179.97 180.72 3gm6 n SER 97 N -3.51 -1.19 -0.11 7.04 2.88 -0.72 -4.92 113.62 113.10 3gm6 n SER 97 Ca -0.00 -2.58 0.25 0.00 -1.33 0.00 0.00 58.87 55.21 3gm6 n SER 97 Cb 0.68 0.07 0.71 0.00 -0.75 0.00 0.00 64.21 64.91 3gm6 n SER 97 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3gm6 h PRO 98 N 5.21 0.00 -0.35 -1.46 0.11 -1.75 -1.95 132.00 131.81 3gm6 h PRO 98 Ca 0.18 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.16 3gm6 h PRO 98 Cb 0.96 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.99 3gm6 h PRO 98 CO 0.30 0.00 -0.01 -1.33 -0.21 0.00 0.00 178.00 176.75 3gm6 n MET 99 N -4.30 2.26 -0.34 1.05 2.81 -1.26 -4.62 117.12 112.72 3gm6 n MET 99 Ca 0.15 -3.04 -0.03 0.00 -1.81 0.00 0.00 57.70 52.96 3gm6 n MET 99 Cb 0.82 -1.84 0.09 0.00 -0.71 0.00 0.00 33.22 31.58 3gm6 n MET 99 CO 0.00 0.00 0.00 0.35 1.51 0.00 0.00 175.97 177.83 3gm6 h PHE 100 N 1.29 1.23 -0.68 2.03 3.57 -1.68 -2.58 116.94 120.10 3gm6 h PHE 100 Ca 0.16 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.65 3gm6 h PHE 100 Cb 1.64 -0.40 -0.03 0.00 2.79 0.00 0.00 35.95 39.95 3gm6 h PHE 100 CO 0.85 0.83 0.43 -0.44 -2.23 0.00 0.00 178.31 177.75 3gm6 h ASP 101 N 1.27 0.80 -0.57 0.41 3.32 -1.85 0.70 116.42 120.51 3gm6 h ASP 101 Ca 0.33 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.24 3gm6 h ASP 101 Cb -0.03 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 3gm6 h ASP 101 CO -0.06 0.60 -0.00 0.50 -1.72 0.00 0.00 179.24 178.56 3gm6 h LYS 102 N 0.93 1.00 0.00 3.56 3.64 -1.90 -2.72 116.57 121.08 3gm6 h LYS 102 Ca 0.25 -0.32 -0.18 0.00 -1.27 0.00 0.00 60.65 59.13 3gm6 h LYS 102 Cb -0.07 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 3gm6 h LYS 102 CO -0.05 1.00 -0.84 -0.07 -2.27 0.00 0.00 179.45 177.22 3gm6 h LEU 103 N 0.89 0.10 -1.99 5.20 4.07 -1.04 -3.30 115.31 119.24 3gm6 h LEU 103 Ca 0.16 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.04 3gm6 h LEU 103 Cb 0.55 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.26 3gm6 h LEU 103 CO 0.03 0.89 0.00 0.00 -1.08 0.00 0.00 178.44 178.28 3gm6 n ILE 104 N -3.61 0.13 -1.65 1.22 0.13 0.19 -5.00 119.36 110.78 3gm6 n ILE 104 Ca -0.02 -0.57 -0.52 0.00 -1.10 0.00 0.00 62.75 60.55 3gm6 n ILE 104 Cb 0.79 1.34 -0.06 0.00 -0.84 0.00 0.00 39.64 40.87 3gm6 n ILE 104 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3gm6 n ALA 105 N 1.29 -0.07 0.00 1.51 0.00 -1.03 -1.24 120.51 120.98 3gm6 n ALA 105 Ca 0.14 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.02 3gm6 n ALA 105 Cb 0.56 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.79 3gm6 n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gm6 n GLY 106 N 3.38 1.73 3.78 0.00 0.00 -1.26 -1.14 105.19 111.67 3gm6 n GLY 106 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 3gm6 n GLY 106 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gm6 s HIS 107 N -2.23 3.17 0.62 1.61 5.04 -0.37 -4.81 115.29 118.32 3gm6 s HIS 107 Ca 0.00 0.05 0.35 0.00 -1.54 0.00 0.00 55.06 53.92 3gm6 s HIS 107 Cb 0.00 -1.59 2.03 0.00 0.04 0.00 0.00 32.58 33.06 3gm6 s HIS 107 CO 0.00 0.52 2.30 0.78 -2.34 0.00 0.00 174.74 176.00 3gm6 h GLY 108 N 3.07 0.00 2.00 1.59 0.00 -1.97 -2.52 103.07 105.25 3gm6 h GLY 108 Ca -0.47 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 3gm6 h GLY 108 CO 0.65 0.00 -0.01 0.74 0.00 0.00 0.00 176.54 177.92 3gm6 h PHE 109 N 0.00 0.00 -0.19 5.60 -1.00 -1.91 -1.88 116.94 117.56 3gm6 h PHE 109 Ca -0.00 0.00 0.06 0.00 2.81 0.00 0.00 57.97 60.84 3gm6 h PHE 109 Cb 0.00 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.55 3gm6 h PHE 109 CO 0.00 0.01 0.17 0.00 -1.61 0.00 0.00 178.31 176.88 3gm6 h ALA 110 N 1.99 1.99 -0.01 2.45 0.00 -1.74 -2.59 119.26 121.35 3gm6 h ALA 110 Ca -0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 3gm6 h ALA 110 Cb 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3gm6 h ALA 110 CO 0.00 -0.27 -0.78 0.74 0.00 0.00 0.00 179.25 178.94 3gm6 h PHE 111 N 0.00 0.17 -1.05 0.00 0.04 -1.57 -3.47 116.94 111.06 3gm6 h PHE 111 Ca 0.09 -0.09 0.20 0.00 2.80 0.00 0.00 57.97 60.97 3gm6 h PHE 111 Cb 0.42 -0.02 -0.33 0.00 2.20 0.00 0.00 35.95 38.22 3gm6 h PHE 111 CO 0.00 0.85 0.89 -2.00 -0.60 0.00 0.00 178.31 177.46 3gm6 s GLU 112 N -3.32 0.04 -0.30 1.51 2.12 -0.98 -4.75 118.70 113.01 3gm6 s GLU 112 Ca -0.02 0.05 0.02 0.00 0.36 0.00 0.00 54.97 55.37 3gm6 s GLU 112 Cb 0.11 0.02 0.15 0.00 0.26 0.00 0.00 34.13 34.67 3gm6 s GLU 112 CO 0.80 -0.00 0.37 -1.58 -0.54 0.00 0.00 175.26 174.31 3gm6 s HIS 113 N 0.08 -0.75 0.48 5.30 2.46 -1.25 -4.61 115.29 117.00 3gm6 s HIS 113 Ca 0.07 -0.00 -0.05 0.00 0.47 0.00 0.00 55.06 55.54 3gm6 s HIS 113 Cb -0.05 -0.28 -0.03 0.00 -0.13 0.00 0.00 32.58 32.09 3gm6 s HIS 113 CO -0.16 -0.97 0.78 0.00 -2.47 0.00 0.00 174.74 171.93 3gm6 s ALA 114 N 2.31 3.41 0.70 1.58 0.00 -1.26 -0.78 121.76 127.71 3gm6 s ALA 114 Ca 0.11 -0.53 -0.15 0.00 0.00 0.00 0.00 51.96 51.39 3gm6 s ALA 114 Cb -0.13 -2.57 0.02 0.00 0.00 0.00 0.00 23.12 20.44 3gm6 s ALA 114 CO -0.27 -0.36 1.16 -1.21 0.00 0.00 0.00 175.76 175.08 3gm6 s GLU 115 N -4.74 2.42 0.73 0.00 2.02 0.08 -4.83 118.70 114.38 3gm6 s GLU 115 Ca 0.47 1.59 -0.11 0.00 0.02 0.00 0.00 54.97 56.95 3gm6 s GLU 115 Cb -0.10 -1.88 0.03 0.00 0.10 0.00 0.00 34.13 32.27 3gm6 s GLU 115 CO 0.45 -1.58 1.07 -1.25 0.02 0.00 0.00 175.26 173.97 3gm6 s PRO 116 N -3.99 2.64 0.00 0.39 0.04 -1.26 -4.69 135.00 128.13 3gm6 s PRO 116 Ca 0.71 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.80 3gm6 s PRO 116 Cb -0.25 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3gm6 s PRO 116 CO 0.43 -1.34 0.00 2.89 0.04 0.00 0.00 177.00 179.03 3gm6 n ARG 117 N -3.29 0.94 -1.76 4.56 1.85 -1.26 -4.82 116.66 112.89 3gm6 n ARG 117 Ca 0.08 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.57 3gm6 n ARG 117 Cb 0.53 0.00 0.07 0.00 -1.05 0.00 0.00 32.46 32.01 3gm6 n ARG 117 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 3gm6 s SER 118 N -0.32 4.65 0.47 2.89 0.01 -1.26 -4.87 113.70 115.27 3gm6 s SER 118 Ca 0.00 2.57 0.19 0.00 1.31 0.00 0.00 55.95 60.02 3gm6 s SER 118 Cb 0.00 -2.61 1.19 0.00 0.21 0.00 0.00 66.02 64.81 3gm6 s SER 118 CO 0.00 -1.97 1.97 0.45 0.41 0.00 0.00 173.24 174.10 3gm6 h HIS 119 N 0.53 0.26 -0.88 2.43 3.86 -1.88 -2.22 115.15 117.25 3gm6 h HIS 119 Ca -0.51 0.01 0.23 0.00 -1.16 0.00 0.00 60.37 58.94 3gm6 h HIS 119 Cb 1.33 -0.08 -0.05 0.00 1.06 0.00 0.00 27.41 29.67 3gm6 h HIS 119 CO 0.43 0.11 0.61 0.00 0.86 0.00 0.00 177.93 179.93 3gm6 h ALA 120 N 1.70 2.55 -0.33 2.45 0.00 -1.88 -2.20 119.26 121.56 3gm6 h ALA 120 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3gm6 h ALA 120 Cb 0.81 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3gm6 h ALA 120 CO -0.06 -0.82 0.00 1.19 0.00 0.00 0.00 179.25 179.57 3gm6 n PHE 121 N -4.38 0.43 -0.26 0.00 3.72 -0.84 -4.37 117.46 111.76 3gm6 n PHE 121 Ca 0.18 -0.22 -0.06 0.00 -0.05 0.00 0.00 57.45 57.31 3gm6 n PHE 121 Cb 0.83 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.42 3gm6 n PHE 121 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gm6 h MET 122 N 2.92 1.04 -0.04 -1.08 -0.00 -1.57 0.13 114.93 116.33 3gm6 h MET 122 Ca 0.00 -0.16 -0.04 0.00 -0.00 0.00 0.00 59.70 59.50 3gm6 h MET 122 Cb 0.65 -0.19 0.00 0.00 -0.00 0.00 0.00 31.60 32.07 3gm6 h MET 122 CO 0.00 0.83 -0.14 1.25 -0.00 0.00 0.00 176.91 178.84 3gm6 h LEU 123 N 1.01 0.20 -0.87 -0.10 5.85 -1.83 -2.12 115.31 117.45 3gm6 h LEU 123 Ca 0.25 -0.62 -0.04 0.00 0.84 0.00 0.00 57.88 58.31 3gm6 h LEU 123 Cb 0.13 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3gm6 h LEU 123 CO -0.03 0.79 0.37 -0.37 -0.34 0.00 0.00 178.44 178.85 3gm6 h VAL 124 N -0.37 1.26 -0.72 1.05 -1.51 -1.86 -2.00 116.25 112.09 3gm6 h VAL 124 Ca -0.01 -0.75 -0.06 0.00 -1.23 0.00 0.00 66.70 64.65 3gm6 h VAL 124 Cb 0.77 0.24 -0.03 0.00 -2.13 0.00 0.00 31.29 30.14 3gm6 h VAL 124 CO 0.03 0.32 0.21 0.44 -1.23 0.00 0.00 177.57 177.34 3gm6 h ASP 125 N 1.17 1.06 -0.70 4.19 3.32 -0.97 -1.07 116.42 123.43 3gm6 h ASP 125 Ca 0.28 -0.21 0.07 0.00 0.02 0.00 0.00 57.03 57.19 3gm6 h ASP 125 Cb 0.15 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.36 3gm6 h ASP 125 CO -0.03 1.00 0.37 -0.74 -1.72 0.00 0.00 179.24 178.12 3gm6 h HIS 126 N 1.08 0.68 -0.11 4.55 -0.00 -1.18 -2.01 115.15 118.16 3gm6 h HIS 126 Ca 0.23 0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 60.49 3gm6 h HIS 126 Cb 0.33 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.52 3gm6 h HIS 126 CO 0.03 0.30 -0.55 0.74 -0.00 0.00 0.00 177.93 178.44 3gm6 h PHE 127 N 0.67 0.41 0.00 5.26 0.04 -0.58 -3.34 116.94 119.40 3gm6 h PHE 127 Ca 0.32 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.95 3gm6 h PHE 127 Cb 0.26 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.33 3gm6 h PHE 127 CO -0.09 0.81 -1.02 1.33 -0.60 0.00 0.00 178.31 178.74 3gm6 n VAL 128 N -3.92 0.00 -1.83 -0.55 0.24 -0.48 -4.46 118.33 107.33 3gm6 n VAL 128 Ca -0.02 -0.03 -0.40 0.00 -2.04 0.00 0.00 64.34 61.85 3gm6 n VAL 128 Cb 0.59 0.88 0.01 0.00 -1.47 0.00 0.00 33.84 33.85 3gm6 n VAL 128 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3gm6 s VAL 129 N -3.03 2.14 0.53 3.34 0.11 -0.77 -4.89 120.40 117.84 3gm6 s VAL 129 Ca 0.07 0.13 0.36 0.00 -2.93 0.00 0.00 61.98 59.61 3gm6 s VAL 129 Cb 0.16 -3.08 0.38 0.00 -1.53 0.00 0.00 36.38 32.32 3gm6 s VAL 129 CO 0.86 0.02 2.24 0.44 -3.33 0.00 0.00 175.10 175.33 3gm6 h ASP 130 N 2.45 0.00 0.36 3.54 3.32 -1.89 -2.64 116.42 121.56 3gm6 h ASP 130 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 3gm6 h ASP 130 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3gm6 h ASP 130 CO 0.62 0.03 -0.13 -2.11 -1.72 0.00 0.00 179.24 175.92 3gm6 n ARG 131 N -3.41 0.69 -0.12 3.56 1.85 -1.26 -1.51 116.66 116.45 3gm6 n ARG 131 Ca -0.02 -0.26 -0.22 0.00 -1.00 0.00 0.00 57.85 56.35 3gm6 n ARG 131 Cb 0.13 -1.49 -0.08 0.00 -1.05 0.00 0.00 32.46 29.97 3gm6 n ARG 131 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3gm6 n ALA 132 N -0.93 1.00 -2.01 2.89 0.00 -1.00 -1.42 120.51 119.05 3gm6 n ALA 132 Ca 0.14 -0.88 0.04 0.00 0.00 0.00 0.00 53.44 52.73 3gm6 n ALA 132 Cb 0.29 -0.01 0.12 0.00 0.00 0.00 0.00 19.45 19.85 3gm6 n ALA 132 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gm6 n TYR 133 N -4.36 0.18 -1.93 0.00 4.02 -1.20 -1.20 117.16 112.66 3gm6 n TYR 133 Ca -0.38 -1.18 -0.21 0.00 -0.01 0.00 0.00 57.90 56.13 3gm6 n TYR 133 Cb 0.72 -0.22 -0.06 0.00 -0.02 0.00 0.00 39.34 39.77 3gm6 n TYR 133 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3gm6 n GLY 134 N -0.47 0.95 2.19 2.72 0.00 0.10 -1.56 105.19 109.12 3gm6 n GLY 134 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 3gm6 n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gm6 n GLY 135 N -0.65 0.43 0.25 -0.02 0.00 -1.26 0.02 105.19 103.96 3gm6 n GLY 135 Ca -0.22 -0.09 -0.03 0.00 0.00 0.00 0.00 46.02 45.67 3gm6 n GLY 135 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3gm6 h ARG 136 N 0.71 0.70 -5.65 1.61 2.43 -1.57 -3.43 114.38 109.18 3gm6 h ARG 136 Ca -0.01 -0.04 -0.67 0.00 -0.81 0.00 0.00 59.98 58.45 3gm6 h ARG 136 Cb 0.21 -0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 29.53 3gm6 h ARG 136 CO 0.01 0.46 -0.48 -0.06 -1.51 0.00 0.00 179.97 178.40 3gm6 s PHE 137 N -6.11 3.60 0.07 2.20 0.08 -1.26 -1.17 117.98 115.39 3gm6 s PHE 137 Ca -0.13 0.53 0.00 0.00 0.12 0.00 0.00 56.93 57.45 3gm6 s PHE 137 Cb 0.15 -1.94 -0.04 0.00 -0.57 0.00 0.00 43.02 40.62 3gm6 s PHE 137 CO 0.76 0.73 -0.05 -0.65 -0.10 0.00 0.00 175.22 175.92 3gm6 s GLN 138 N -1.07 0.69 0.67 0.44 -0.21 -0.86 -4.55 119.66 114.77 3gm6 s GLN 138 Ca 0.16 -1.23 -0.17 0.00 0.02 0.00 0.00 55.36 54.13 3gm6 s GLN 138 Cb -0.12 0.01 0.01 0.00 1.00 0.00 0.00 33.01 33.90 3gm6 s GLN 138 CO 0.05 -0.06 1.24 -0.06 -2.12 0.00 0.00 175.29 174.33 3gm6 s PHE 139 N -3.62 2.13 0.35 0.91 0.08 -1.26 -0.54 117.98 116.03 3gm6 s PHE 139 Ca 0.08 1.54 0.08 0.00 0.12 0.00 0.00 56.93 58.75 3gm6 s PHE 139 Cb 0.06 -3.56 0.80 0.00 -0.57 0.00 0.00 43.02 39.75 3gm6 s PHE 139 CO -0.07 -2.65 1.87 0.87 -0.10 0.00 0.00 175.22 175.15 3gm6 h LYS 140 N 0.25 0.69 -3.25 0.44 1.57 -1.27 -3.43 116.57 111.56 3gm6 h LYS 140 Ca -0.49 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.21 3gm6 h LYS 140 Cb 1.31 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 33.43 3gm6 h LYS 140 CO 0.52 0.45 0.14 0.54 -0.57 0.00 0.00 179.45 180.53 3gm6 s ASN 141 N -5.81 0.03 0.00 0.86 2.20 -1.26 -5.00 114.94 105.97 3gm6 s ASN 141 Ca -0.10 -1.00 0.19 0.00 -0.94 0.00 0.00 52.86 51.02 3gm6 s ASN 141 Cb 0.22 0.75 0.86 0.00 -2.00 0.00 0.00 41.25 41.08 3gm6 s ASN 141 CO 0.79 -1.45 1.61 0.79 -2.94 0.00 0.00 177.10 175.90 3gm6 n TRP 142 N -0.49 0.00 0.13 1.54 7.02 -1.26 -2.52 117.44 121.86 3gm6 n TRP 142 Ca -0.05 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.41 3gm6 n TRP 142 Cb 0.60 -0.44 0.16 0.00 -2.42 0.00 0.00 31.31 29.21 3gm6 n TRP 142 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 3gm6 h GLN 143 N 0.00 0.04 0.00 -0.99 4.20 -1.97 -3.31 115.11 113.08 3gm6 h GLN 143 Ca 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3gm6 h GLN 143 Cb 0.29 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.08 3gm6 h GLN 143 CO 0.00 0.65 0.00 1.63 -0.67 0.00 0.00 178.83 180.44 3gm6 n LYS 144 N -3.82 0.14 0.32 1.46 4.76 -1.05 -2.99 118.16 116.99 3gm6 n LYS 144 Ca -0.01 0.14 0.20 0.00 -2.87 0.00 0.00 58.31 55.76 3gm6 n LYS 144 Cb 0.62 -1.50 1.08 0.00 -1.84 0.00 0.00 35.03 33.39 3gm6 n LYS 144 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 3gm6 h VAL 145 N 0.00 0.21 0.00 -0.18 -1.51 -1.77 -2.01 116.25 110.99 3gm6 h VAL 145 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3gm6 h VAL 145 Cb 0.25 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 3gm6 h VAL 145 CO 0.00 0.00 -0.32 0.35 -1.23 0.00 0.00 177.57 176.37 3gm6 n THR 146 N -3.38 0.25 -2.88 7.19 -2.24 -1.16 -4.79 114.28 107.26 3gm6 n THR 146 Ca -0.03 -0.15 -0.44 0.00 -2.27 0.00 0.00 64.05 61.16 3gm6 n THR 146 Cb 0.10 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 3gm6 n THR 146 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3gm6 n ASP 147 N -1.87 5.25 -0.10 3.42 2.03 -0.76 -4.81 116.55 119.72 3gm6 n ASP 147 Ca 0.05 -3.01 -0.10 0.00 0.52 0.00 0.00 54.79 52.25 3gm6 n ASP 147 Cb 0.39 -1.53 -0.02 0.00 -0.72 0.00 0.00 41.12 39.24 3gm6 n ASP 147 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 3gm6 h GLY 148 N 9.07 0.49 0.75 0.27 0.00 -1.87 -1.59 103.07 110.19 3gm6 h GLY 148 Ca 0.32 -0.25 0.05 0.00 0.00 0.00 0.00 47.33 47.45 3gm6 h GLY 148 CO 1.29 0.24 0.46 1.98 0.00 0.00 0.00 176.54 180.51 3gm6 h MET 149 N 0.37 0.83 -0.39 4.80 1.85 -1.87 -1.48 114.93 119.04 3gm6 h MET 149 Ca 0.11 -0.05 -0.01 0.00 -0.61 0.00 0.00 59.70 59.14 3gm6 h MET 149 Cb 0.14 -0.19 -0.02 0.00 0.43 0.00 0.00 31.60 31.96 3gm6 h MET 149 CO -0.01 0.55 0.21 0.78 -0.40 0.00 0.00 176.91 178.04 3gm6 h GLY 150 N 0.86 0.58 0.77 1.39 0.00 -1.91 -1.03 103.07 103.73 3gm6 h GLY 150 Ca 0.33 -0.27 0.05 0.00 0.00 0.00 0.00 47.33 47.43 3gm6 h GLY 150 CO -0.16 0.26 0.43 0.00 0.00 0.00 0.00 176.54 177.07 3gm6 h ALA 151 N 1.07 0.96 -0.72 3.60 0.00 -0.99 -1.67 119.26 121.50 3gm6 h ALA 151 Ca 0.14 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3gm6 h ALA 151 Cb 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3gm6 h ALA 151 CO -0.02 0.16 0.21 0.28 0.00 0.00 0.00 179.25 179.88 3gm6 h VAL 152 N 0.81 1.26 -0.83 0.00 2.07 -0.91 -2.53 116.25 116.12 3gm6 h VAL 152 Ca 0.31 -0.91 0.04 0.00 0.82 0.00 0.00 66.70 66.95 3gm6 h VAL 152 Cb 0.11 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 3gm6 h VAL 152 CO -0.15 0.36 0.53 -0.09 0.02 0.00 0.00 177.57 178.24 3gm6 h ARG 153 N 1.07 0.99 0.00 1.57 2.43 -0.77 -3.43 114.38 116.23 3gm6 h ARG 153 Ca 0.23 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3gm6 h ARG 153 Cb 0.32 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3gm6 h ARG 153 CO -0.00 0.65 0.00 0.41 -1.51 0.00 0.00 179.97 179.52 3gm6 n GLY 154 N -1.33 2.78 0.35 2.80 0.00 -0.67 -4.88 105.19 104.25 3gm6 n GLY 154 Ca 0.11 -0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.11 3gm6 n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gm6 h ALA 155 N 0.00 1.42 0.00 4.61 0.00 -1.00 -0.80 119.26 123.49 3gm6 h ALA 155 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gm6 h ALA 155 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3gm6 h ALA 155 CO 0.00 0.26 0.00 0.91 0.00 0.00 0.00 179.25 180.42 3gm6 n TRP 156 N -4.61 0.00 0.45 0.00 7.02 -1.26 -1.88 117.44 117.15 3gm6 n TRP 156 Ca 0.17 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.78 3gm6 n TRP 156 Cb 0.30 -0.19 0.31 0.00 -2.42 0.00 0.00 31.31 29.31 3gm6 n TRP 156 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 3gm6 h THR 157 N 0.00 0.00 0.00 -0.99 1.35 -1.46 -3.37 112.91 108.44 3gm6 h THR 157 Ca 0.00 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 3gm6 h THR 157 Cb 0.17 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 3gm6 h THR 157 CO 0.00 0.00 0.00 1.33 -0.25 0.00 0.00 175.52 176.60 3gm6 n VAL 158 N -2.63 0.00 -4.33 6.82 0.24 -0.79 -5.02 118.33 112.62 3gm6 n VAL 158 Ca 0.05 -0.43 -0.23 0.00 -2.04 0.00 0.00 64.34 61.68 3gm6 n VAL 158 Cb 0.47 1.04 -0.08 0.00 -1.47 0.00 0.00 33.84 33.80 3gm6 n VAL 158 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3gm6 s LEU 159 N -1.21 3.05 0.13 1.34 1.43 -0.79 -0.82 118.68 121.80 3gm6 s LEU 159 Ca 0.00 -0.76 0.07 0.00 -1.03 0.00 0.00 54.13 52.41 3gm6 s LEU 159 Cb 0.00 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 3gm6 s LEU 159 CO 0.00 -0.01 -0.16 0.28 0.23 0.00 0.00 176.35 176.69 3gm6 s THR 160 N -2.38 1.51 -0.20 5.49 -1.32 0.30 -4.73 115.64 114.31 3gm6 s THR 160 Ca 0.31 -1.74 -0.02 0.00 -1.21 0.00 0.00 61.69 59.03 3gm6 s THR 160 Cb -0.06 -1.61 -0.00 0.00 -1.51 0.00 0.00 72.50 69.32 3gm6 s THR 160 CO 0.19 -0.34 -0.09 -0.62 -2.21 0.00 0.00 174.62 171.55 3gm6 s ASP 161 N -2.43 3.99 0.58 8.08 -1.08 -1.26 -2.02 116.67 122.52 3gm6 s ASP 161 Ca 0.10 -0.44 0.28 0.00 -0.52 0.00 0.00 52.55 51.98 3gm6 s ASP 161 Cb -0.06 -1.66 1.68 0.00 -1.46 0.00 0.00 42.92 41.43 3gm6 s ASP 161 CO 0.04 0.02 2.16 0.00 0.52 0.00 0.00 175.17 177.91 3gm6 h ALA 162 N 7.82 1.74 -1.61 3.66 0.00 -1.48 -3.37 119.26 126.02 3gm6 h ALA 162 Ca -0.40 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.21 3gm6 h ALA 162 Cb 1.17 0.01 -0.26 0.00 0.00 0.00 0.00 17.79 18.70 3gm6 h ALA 162 CO 0.60 -0.18 -0.65 0.34 0.00 0.00 0.00 179.25 179.36 3gm6 s ASP 163 N -6.02 0.04 0.67 0.00 2.15 -1.26 -5.00 116.67 107.25 3gm6 s ASP 163 Ca -0.05 -1.81 0.43 0.00 0.43 0.00 0.00 52.55 51.55 3gm6 s ASP 163 Cb 0.15 0.96 2.33 0.00 -0.30 0.00 0.00 42.92 46.07 3gm6 s ASP 163 CO 0.56 -0.17 2.31 -0.65 -0.17 0.00 0.00 175.17 177.06 3gm6 h PRO 164 N 6.17 0.00 0.00 4.34 0.11 -2.00 -2.89 132.00 137.72 3gm6 h PRO 164 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3gm6 h PRO 164 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3gm6 h PRO 164 CO 0.16 0.00 -0.07 0.39 -0.21 0.00 0.00 178.00 178.27 3gm6 n GLU 165 N -3.05 0.01 -4.32 1.05 -0.58 -1.26 -4.84 120.64 107.65 3gm6 n GLU 165 Ca -0.03 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.49 3gm6 n GLU 165 Cb 0.11 -1.51 -0.12 0.00 -0.57 0.00 0.00 31.44 29.36 3gm6 n GLU 165 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3gm6 s SER 166 N -3.03 2.67 -0.04 1.62 1.04 -1.09 -5.06 113.70 109.80 3gm6 s SER 166 Ca 0.14 -0.79 0.06 0.00 0.48 0.00 0.00 55.95 55.84 3gm6 s SER 166 Cb 0.19 -0.16 0.10 0.00 0.10 0.00 0.00 66.02 66.25 3gm6 s SER 166 CO 0.55 0.01 1.00 -1.54 0.98 0.00 0.00 173.24 174.25 3gm6 n SER 167 N 0.62 1.80 -4.85 7.02 3.41 -1.26 -4.95 113.62 115.41 3gm6 n SER 167 Ca -0.16 -2.27 -0.33 0.00 -0.26 0.00 0.00 58.87 55.85 3gm6 n SER 167 Cb 0.56 -0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 64.29 3gm6 n SER 167 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 3gm6 s ASP 168 N -1.54 6.79 -0.22 4.04 -4.77 -1.26 -4.44 116.67 115.27 3gm6 s ASP 168 Ca 0.11 1.25 -0.29 0.00 -3.30 0.00 0.00 52.55 50.32 3gm6 s ASP 168 Cb 0.09 -2.36 -0.01 0.00 -1.09 0.00 0.00 42.92 39.56 3gm6 s ASP 168 CO 0.01 -0.15 1.33 -1.10 0.70 0.00 0.00 175.17 175.96 3gm6 s GLN 169 N -2.82 4.06 0.22 2.11 -1.52 -1.26 -4.98 119.66 115.47 3gm6 s GLN 169 Ca 0.52 1.52 -0.12 0.00 -1.95 0.00 0.00 55.36 55.33 3gm6 s GLN 169 Cb -0.11 -3.85 -0.00 0.00 -0.22 0.00 0.00 33.01 28.83 3gm6 s GLN 169 CO 0.18 -0.94 0.43 -0.98 -0.25 0.00 0.00 175.29 173.74 3gm6 s ARG 170 N 3.91 1.44 -0.02 2.91 1.70 -1.26 -5.06 118.95 122.56 3gm6 s ARG 170 Ca 0.58 -1.22 -0.30 0.00 -0.47 0.00 0.00 55.73 54.32 3gm6 s ARG 170 Cb -0.21 0.45 -0.03 0.00 -0.57 0.00 0.00 34.95 34.59 3gm6 s ARG 170 CO 0.20 -0.58 1.06 1.03 -1.08 0.00 0.00 175.30 175.92 3gm6 s ARG 171 N -4.00 4.47 -0.03 3.89 0.52 -1.26 -4.15 118.95 118.40 3gm6 s ARG 171 Ca 0.21 1.51 0.21 0.00 -0.52 0.00 0.00 55.73 57.14 3gm6 s ARG 171 Cb 0.00 -3.47 -0.32 0.00 0.52 0.00 0.00 34.95 31.68 3gm6 s ARG 171 CO 0.06 -0.21 0.49 1.19 0.02 0.00 0.00 175.30 176.85 3gm6 n PHE 172 N 4.37 0.00 -4.18 -0.53 3.01 0.10 -4.98 117.46 115.26 3gm6 n PHE 172 Ca 0.08 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.40 3gm6 n PHE 172 Cb 0.49 -0.45 -0.11 0.00 -0.01 0.00 0.00 39.48 39.40 3gm6 n PHE 172 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3gm6 s LEU 173 N -4.36 2.41 0.10 4.37 1.02 -1.22 -5.04 118.68 115.97 3gm6 s LEU 173 Ca -0.07 -0.83 -0.20 0.00 0.02 0.00 0.00 54.13 53.05 3gm6 s LEU 173 Cb 0.14 -0.29 -0.09 0.00 0.02 0.00 0.00 46.19 45.97 3gm6 s LEU 173 CO 0.87 -0.28 1.72 0.77 0.02 0.00 0.00 176.35 179.46 3gm6 h SER 174 N 3.51 0.20 -2.24 2.29 4.64 -1.93 -3.27 113.55 116.75 3gm6 h SER 174 Ca -0.37 -0.06 -0.80 0.00 -0.47 0.00 0.00 61.79 60.09 3gm6 h SER 174 Cb 1.19 -0.05 -0.25 0.00 -0.31 0.00 0.00 62.40 62.98 3gm6 h SER 174 CO 0.54 0.20 1.18 0.00 -0.87 0.00 0.00 176.83 177.88 3gm6 n GLN 175 N -4.94 5.07 -4.37 4.77 1.13 -1.26 -4.90 117.38 112.88 3gm6 n GLN 175 Ca -0.04 -4.46 -0.19 0.00 -1.94 0.00 0.00 57.00 50.37 3gm6 n GLN 175 Cb 0.06 -2.52 -0.10 0.00 0.11 0.00 0.00 30.24 27.79 3gm6 n GLN 175 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3gm6 s THR 176 N -3.44 0.77 0.20 5.09 -4.23 -1.24 -4.93 115.64 107.87 3gm6 s THR 176 Ca 0.39 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 3gm6 s THR 176 Cb 0.15 -2.68 -0.04 0.00 1.34 0.00 0.00 72.50 71.27 3gm6 s THR 176 CO -0.07 0.00 0.09 0.00 -0.54 0.00 0.00 174.62 174.10 3gm6 s ALA 177 N -3.57 1.33 -0.48 3.99 0.00 -0.57 -4.93 121.76 117.53 3gm6 s ALA 177 Ca 0.37 -1.70 0.05 0.00 0.00 0.00 0.00 51.96 50.68 3gm6 s ALA 177 Cb 0.08 1.05 0.40 0.00 0.00 0.00 0.00 23.12 24.65 3gm6 s ALA 177 CO 0.15 -0.49 1.06 0.25 0.00 0.00 0.00 175.76 176.73 3gm6 n THR 178 N -0.30 2.54 0.30 0.00 -2.24 -1.23 -0.73 114.28 112.62 3gm6 n THR 178 Ca -0.01 -5.09 0.15 0.00 -2.27 0.00 0.00 64.05 56.83 3gm6 n THR 178 Cb 0.65 -1.27 0.55 0.00 -2.10 0.00 0.00 70.33 68.16 3gm6 n THR 178 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gm6 h ALA 179 N 2.70 1.00 -2.92 6.98 0.00 -1.03 -3.46 119.26 122.52 3gm6 h ALA 179 Ca 0.25 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.62 3gm6 h ALA 179 Cb 0.81 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.69 3gm6 h ALA 179 CO 0.83 0.00 0.67 0.00 0.00 0.00 0.00 179.25 180.75 3gm6 s ALA 180 N -3.51 3.30 0.24 0.00 0.00 -0.34 -5.00 121.76 116.45 3gm6 s ALA 180 Ca 0.03 1.36 -0.10 0.00 0.00 0.00 0.00 51.96 53.25 3gm6 s ALA 180 Cb 0.08 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 3gm6 s ALA 180 CO 0.55 -0.98 0.40 0.54 0.00 0.00 0.00 175.76 176.27 3gm6 s ASN 181 N -0.57 -0.02 0.47 0.00 2.20 -1.26 -4.93 114.94 110.84 3gm6 s ASN 181 Ca 0.57 -1.04 0.19 0.00 -0.94 0.00 0.00 52.86 51.64 3gm6 s ASN 181 Cb -0.41 0.54 1.19 0.00 -2.00 0.00 0.00 41.25 40.57 3gm6 s ASN 181 CO 0.54 -1.07 1.98 -0.65 -2.94 0.00 0.00 177.10 174.95 3gm6 h PRO 182 N 2.34 0.22 -0.68 3.55 0.11 -1.86 -2.64 132.00 133.05 3gm6 h PRO 182 Ca -0.28 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.76 3gm6 h PRO 182 Cb 1.25 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3gm6 h PRO 182 CO 0.39 0.15 0.21 0.28 -0.21 0.00 0.00 178.00 178.82 3gm6 h VAL 183 N 0.23 1.25 -0.90 3.15 2.07 -1.87 -2.76 116.25 117.41 3gm6 h VAL 183 Ca 0.28 -0.86 0.25 0.00 0.82 0.00 0.00 66.70 67.19 3gm6 h VAL 183 Cb 0.79 0.50 -0.16 0.00 -1.52 0.00 0.00 31.29 30.91 3gm6 h VAL 183 CO -0.05 0.33 0.13 0.00 0.02 0.00 0.00 177.57 178.00 3gm6 h LEU 185 N 0.10 0.00 -2.10 0.00 -0.00 -1.65 -2.13 115.31 109.53 3gm6 h LEU 185 Ca 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.44 3gm6 h LEU 185 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.80 3gm6 h LEU 185 CO -0.76 0.03 0.00 0.78 -0.00 0.00 0.00 178.44 178.48 3gm6 h ASN 186 N 0.00 0.00 -0.45 -0.43 2.35 -1.57 -0.53 115.58 114.95 3gm6 h ASN 186 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3gm6 h ASN 186 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 3gm6 h ASN 186 CO 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.78 3gm6 n LYS 188 N 0.61 3.35 -3.44 0.00 4.76 -0.31 -5.00 118.16 118.13 3gm6 n LYS 188 Ca 0.18 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.51 3gm6 n LYS 188 Cb 0.65 -0.99 -0.02 0.00 -1.84 0.00 0.00 35.03 32.83 3gm6 n LYS 188 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 3gm6 s THR 189 N -1.98 0.00 -0.10 -0.18 -1.32 -0.60 -2.59 115.64 108.87 3gm6 s THR 189 Ca 0.00 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.64 3gm6 s THR 189 Cb 0.00 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.35 3gm6 s THR 189 CO 0.00 0.00 1.17 0.00 -2.21 0.00 0.00 174.62 173.58 3gm6 n GLN 190 N -0.28 0.80 -0.14 7.08 1.13 -1.26 -4.30 117.38 120.40 3gm6 n GLN 190 Ca -0.16 -2.48 0.24 0.00 -1.94 0.00 0.00 57.00 52.67 3gm6 n GLN 190 Cb 0.64 -0.89 0.68 0.00 0.11 0.00 0.00 30.24 30.77 3gm6 n GLN 190 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 3gm6 h ASP 191 N 0.76 0.07 -0.31 1.08 3.32 -1.93 -1.76 116.42 117.66 3gm6 h ASP 191 Ca -0.08 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3gm6 h ASP 191 Cb 1.37 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.91 3gm6 h ASP 191 CO 0.04 0.03 0.00 0.00 -1.72 0.00 0.00 179.24 177.59 3gm6 n HIS 192 N -4.34 0.60 0.28 4.55 1.44 -1.26 -4.59 115.22 111.90 3gm6 n HIS 192 Ca 0.16 -0.25 0.12 0.00 -2.01 0.00 0.00 57.72 55.73 3gm6 n HIS 192 Cb 0.81 -0.09 0.78 0.00 0.12 0.00 0.00 29.99 31.61 3gm6 n HIS 192 CO 0.00 0.00 0.00 0.97 -2.81 0.00 0.00 176.34 174.50 3gm6 h ILE 193 N 1.88 0.74 -0.06 0.61 2.10 -1.68 0.45 117.51 121.54 3gm6 h ILE 193 Ca 0.00 -0.08 0.00 0.00 1.08 0.00 0.00 64.86 65.86 3gm6 h ILE 193 Cb 0.68 1.04 0.00 0.00 -1.09 0.00 0.00 36.82 37.45 3gm6 h ILE 193 CO 0.07 0.02 0.00 0.18 -1.08 0.00 0.00 178.15 177.34 3gm6 n LEU 194 N -4.11 2.62 0.00 2.19 4.77 -1.26 -4.41 117.00 116.80 3gm6 n LEU 194 Ca -0.03 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 3gm6 n LEU 194 Cb 0.10 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3gm6 n LEU 194 CO 0.30 0.45 0.48 0.47 -1.33 0.00 0.00 177.39 177.77 3gm6 n ASP 195 N 1.03 1.93 -3.79 -1.43 8.00 0.12 -4.92 116.55 117.49 3gm6 n ASP 195 Ca 0.16 -1.93 -0.23 0.00 0.71 0.00 0.00 54.79 53.50 3gm6 n ASP 195 Cb 0.53 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 41.46 3gm6 n ASP 195 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 3gm6 s TRP 196 N -0.93 0.71 0.56 1.24 -0.11 -1.01 -1.70 118.94 117.70 3gm6 s TRP 196 Ca 0.00 -0.20 -0.16 0.00 1.22 0.00 0.00 56.10 56.96 3gm6 s TRP 196 Cb 0.00 -0.81 -0.05 0.00 -1.50 0.00 0.00 33.47 31.11 3gm6 s TRP 196 CO 0.00 -0.32 1.03 0.00 -4.62 0.00 0.00 176.95 173.04 3gm6 s ALA 197 N 1.86 2.87 -0.14 5.86 0.00 -1.26 -4.81 121.76 126.14 3gm6 s ALA 197 Ca 0.03 0.30 -0.40 0.00 0.00 0.00 0.00 51.96 51.89 3gm6 s ALA 197 Cb -0.12 -3.19 -0.18 0.00 0.00 0.00 0.00 23.12 19.63 3gm6 s ALA 197 CO -0.05 -0.59 1.44 0.98 0.00 0.00 0.00 175.76 177.54 3gm6 n TYR 198 N -1.88 1.52 -0.71 0.00 9.36 0.09 -0.05 117.16 125.50 3gm6 n TYR 198 Ca 0.08 0.79 0.00 0.00 3.32 0.00 0.00 57.90 62.09 3gm6 n TYR 198 Cb 0.53 -2.30 0.00 0.00 -0.63 0.00 0.00 39.34 36.95 3gm6 n TYR 198 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 3gm6 n MET 199 N 3.38 0.00 -1.06 2.98 2.81 -1.26 -3.09 117.12 120.88 3gm6 n MET 199 Ca 0.23 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 56.10 3gm6 n MET 199 Cb 0.10 -3.41 -0.01 0.00 -0.71 0.00 0.00 33.22 29.19 3gm6 n MET 199 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gm6 n GLY 200 N -2.00 0.56 3.63 3.03 0.00 0.93 -4.84 105.19 106.50 3gm6 n GLY 200 Ca 0.00 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 3gm6 n GLY 200 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gm6 n ASP 201 N 1.01 0.47 -4.75 1.61 8.00 -1.18 -1.72 116.55 119.99 3gm6 n ASP 201 Ca -0.02 0.58 -0.40 0.00 0.71 0.00 0.00 54.79 55.66 3gm6 n ASP 201 Cb 0.09 -1.44 0.02 0.00 -0.02 0.00 0.00 41.12 39.77 3gm6 n ASP 201 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gm6 n GLU 202 N -2.64 2.15 -3.64 -1.24 -0.58 -1.26 -4.58 120.64 108.86 3gm6 n GLU 202 Ca 0.13 0.77 -0.10 0.00 -0.42 0.00 0.00 57.16 57.53 3gm6 n GLU 202 Cb 0.50 -2.60 -0.07 0.00 -0.57 0.00 0.00 31.44 28.70 3gm6 n GLU 202 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 3gm6 s HIS 203 N -1.20 -0.72 0.49 -0.32 2.46 -1.26 -5.05 115.29 109.69 3gm6 s HIS 203 Ca 0.62 1.65 0.22 0.00 0.47 0.00 0.00 55.06 58.02 3gm6 s HIS 203 Cb -0.45 0.37 1.38 0.00 -0.13 0.00 0.00 32.58 33.75 3gm6 s HIS 203 CO 0.57 -0.35 2.11 1.05 -2.47 0.00 0.00 174.74 175.65 3gm6 h GLU 204 N 5.17 0.00 -0.01 2.88 9.09 -2.00 -2.21 114.58 127.50 3gm6 h GLU 204 Ca -0.29 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.12 3gm6 h GLU 204 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.28 3gm6 h GLU 204 CO 0.10 0.09 -0.17 0.00 0.05 0.00 0.00 179.01 179.08 3gm6 n ALA 205 N -2.41 2.90 -2.68 1.06 0.00 -1.26 -4.90 120.51 113.22 3gm6 n ALA 205 Ca -0.03 -0.50 -0.38 0.00 0.00 0.00 0.00 53.44 52.53 3gm6 n ALA 205 Cb 0.17 -1.04 -0.07 0.00 0.00 0.00 0.00 19.45 18.51 3gm6 n ALA 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gm6 s ALA 206 N -2.26 3.54 0.23 0.00 0.00 -0.83 -4.89 121.76 117.56 3gm6 s ALA 206 Ca 0.28 -0.44 0.07 0.00 0.00 0.00 0.00 51.96 51.87 3gm6 s ALA 206 Cb 0.20 -2.67 0.22 0.00 0.00 0.00 0.00 23.12 20.87 3gm6 s ALA 206 CO 0.43 -0.27 1.54 -0.22 0.00 0.00 0.00 175.76 177.24 3gm6 h LYS 207 N 7.27 0.12 -5.43 0.00 3.64 -1.75 -3.46 116.57 116.96 3gm6 h LYS 207 Ca -0.36 -0.10 -0.43 0.00 -1.27 0.00 0.00 60.65 58.49 3gm6 h LYS 207 Cb 1.16 0.02 -0.21 0.00 -0.41 0.00 0.00 32.23 32.79 3gm6 h LYS 207 CO 0.73 0.75 -0.78 -1.58 -2.27 0.00 0.00 179.45 176.30 3gm6 s TRP 208 N -3.55 1.27 0.37 1.91 0.52 -0.69 -5.05 118.94 113.73 3gm6 s TRP 208 Ca -0.02 -0.46 -0.09 0.00 0.02 0.00 0.00 56.10 55.55 3gm6 s TRP 208 Cb 0.12 -0.71 0.03 0.00 -1.15 0.00 0.00 33.47 31.75 3gm6 s TRP 208 CO 0.79 0.07 0.64 -1.54 0.02 0.00 0.00 176.95 176.94 3gm6 s SER 209 N -1.76 0.47 0.49 2.95 1.04 -1.26 -4.32 113.70 111.30 3gm6 s SER 209 Ca -0.01 -1.32 0.20 0.00 0.48 0.00 0.00 55.95 55.30 3gm6 s SER 209 Cb -0.10 0.77 1.23 0.00 0.10 0.00 0.00 66.02 68.02 3gm6 s SER 209 CO 0.02 -1.51 1.98 0.03 0.98 0.00 0.00 173.24 174.75 3gm6 h ARG 210 N 2.04 0.17 -0.39 4.02 3.08 -1.65 -2.15 114.38 119.51 3gm6 h ARG 210 Ca -0.30 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.74 3gm6 h ARG 210 Cb 1.24 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3gm6 h ARG 210 CO 0.40 0.12 0.00 0.25 -1.07 0.00 0.00 179.97 179.66 3gm6 n THR 211 N -4.43 0.51 -0.99 2.04 -2.24 -1.26 -4.53 114.28 103.38 3gm6 n THR 211 Ca 0.10 -0.62 -0.30 0.00 -2.27 0.00 0.00 64.05 60.96 3gm6 n THR 211 Cb 0.51 0.53 0.14 0.00 -2.10 0.00 0.00 70.33 69.42 3gm6 n THR 211 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3gm6 s SER 212 N -1.30 3.41 -0.33 3.42 0.01 -0.81 -4.95 113.70 113.14 3gm6 s SER 212 Ca 0.35 1.85 -0.29 0.00 1.31 0.00 0.00 55.95 59.17 3gm6 s SER 212 Cb 0.19 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.98 3gm6 s SER 212 CO 0.27 -2.74 1.38 -1.61 0.41 0.00 0.00 173.24 170.95 3gm6 s GLU 213 N -4.78 3.77 0.41 12.44 0.41 -1.26 -4.75 118.70 124.94 3gm6 s GLU 213 Ca 0.64 1.17 0.12 0.00 -0.41 0.00 0.00 54.97 56.50 3gm6 s GLU 213 Cb -0.20 -3.95 0.88 0.00 -1.78 0.00 0.00 34.13 29.08 3gm6 s GLU 213 CO 0.58 -1.31 1.94 -0.24 -0.49 0.00 0.00 175.26 175.74 3gm6 h VAL 214 N 6.17 1.17 -0.65 2.63 3.04 -1.92 -2.20 116.25 124.50 3gm6 h VAL 214 Ca -0.27 -0.78 -0.06 0.00 -1.01 0.00 0.00 66.70 64.57 3gm6 h VAL 214 Cb 1.11 1.34 -0.03 0.00 -2.01 0.00 0.00 31.29 31.70 3gm6 h VAL 214 CO 1.05 0.23 0.15 0.58 -1.01 0.00 0.00 177.57 178.57 3gm6 h VAL 215 N 0.09 1.26 -0.47 1.51 2.07 -1.91 0.05 116.25 118.84 3gm6 h VAL 215 Ca 0.02 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.53 3gm6 h VAL 215 Cb 0.39 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3gm6 h VAL 215 CO 0.03 0.36 0.06 -0.33 0.02 0.00 0.00 177.57 177.71 3gm6 h GLU 216 N 0.96 0.79 -0.13 1.57 5.08 -1.65 -2.88 114.58 118.31 3gm6 h GLU 216 Ca 0.20 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3gm6 h GLU 216 Cb 0.37 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3gm6 h GLU 216 CO 0.00 0.80 0.08 0.35 -1.00 0.00 0.00 179.01 179.25 3gm6 h PHE 217 N 0.65 0.16 -0.85 4.33 3.57 -1.23 -2.95 116.94 120.62 3gm6 h PHE 217 Ca 0.14 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.79 3gm6 h PHE 217 Cb 0.41 -0.05 -0.09 0.00 2.79 0.00 0.00 35.95 39.00 3gm6 h PHE 217 CO 0.03 0.10 0.44 0.00 -2.23 0.00 0.00 178.31 176.66 3gm6 h ALA 218 N 1.04 1.27 0.00 2.41 0.00 -0.91 -0.21 119.26 122.87 3gm6 h ALA 218 Ca 0.05 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3gm6 h ALA 218 Cb -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3gm6 h ALA 218 CO -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.17 3gm6 h ARG 219 N 0.64 0.00 -0.01 0.00 3.08 -1.33 -2.32 114.38 114.45 3gm6 h ARG 219 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.51 3gm6 h ARG 219 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 3gm6 h ARG 219 CO -0.35 0.00 -0.09 -3.47 -1.07 0.00 0.00 179.97 174.99 3gm6 n ASP 220 N -2.92 1.23 -4.43 7.04 2.03 -0.09 -4.93 116.55 114.48 3gm6 n ASP 220 Ca -0.00 -1.23 -0.31 0.00 0.52 0.00 0.00 54.79 53.76 3gm6 n ASP 220 Cb 0.21 0.04 -0.13 0.00 -0.72 0.00 0.00 41.12 40.51 3gm6 n ASP 220 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3gm6 s LEU 221 N -2.19 2.54 0.00 -2.67 1.43 -0.87 -4.95 118.68 111.96 3gm6 s LEU 221 Ca 0.34 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 3gm6 s LEU 221 Cb 0.20 -1.49 0.00 0.00 0.03 0.00 0.00 46.19 44.94 3gm6 s LEU 221 CO 0.40 0.28 0.00 0.59 0.23 0.00 0.00 176.35 177.86 3gm6 n ASN 222 N 1.84 0.41 -4.76 2.29 4.13 -1.26 -4.68 115.26 113.23 3gm6 n ASN 222 Ca -0.16 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 55.75 3gm6 n ASN 222 Cb 0.52 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.68 3gm6 n ASN 222 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 3gm6 s HIS 223 N -1.82 3.30 0.35 3.10 3.76 -1.26 -0.81 115.29 121.90 3gm6 s HIS 223 Ca 0.00 0.27 -0.14 0.00 -0.15 0.00 0.00 55.06 55.03 3gm6 s HIS 223 Cb 0.00 -1.80 -0.08 0.00 1.11 0.00 0.00 32.58 31.81 3gm6 s HIS 223 CO 0.00 0.56 0.76 -1.25 -0.85 0.00 0.00 174.74 173.95 3gm6 s PRO 224 N -1.24 3.96 -0.78 8.40 0.04 -1.26 -4.49 135.00 139.62 3gm6 s PRO 224 Ca 0.17 0.65 -0.14 0.00 0.04 0.00 0.00 61.00 61.72 3gm6 s PRO 224 Cb -0.12 -2.40 0.02 0.00 0.04 0.00 0.00 34.50 32.04 3gm6 s PRO 224 CO 0.07 0.09 0.49 -0.11 0.04 0.00 0.00 177.00 177.58 3gm6 n LEU 225 N -0.62 -0.67 -4.61 -3.56 7.94 -1.07 -4.79 117.00 109.62 3gm6 n LEU 225 Ca 0.03 -0.88 -0.41 0.00 -1.11 0.00 0.00 56.01 53.64 3gm6 n LEU 225 Cb 0.53 -1.20 0.01 0.00 0.53 0.00 0.00 43.42 43.30 3gm6 n LEU 225 CO 0.43 0.49 0.59 0.59 -1.11 0.00 0.00 177.39 178.37 3gm6 n ASN 226 N -1.62 1.25 0.12 1.96 4.13 -1.26 -4.84 115.26 115.00 3gm6 n ASN 226 Ca -0.16 1.02 0.09 0.00 1.68 0.00 0.00 54.58 57.21 3gm6 n ASN 226 Cb 0.47 -1.36 0.57 0.00 -1.54 0.00 0.00 39.78 37.93 3gm6 n ASN 226 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gm6 n PHE 228 N -4.49 0.00 0.26 0.00 1.16 -1.26 -3.42 117.46 109.71 3gm6 n PHE 228 Ca 0.02 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.70 3gm6 n PHE 228 Cb 0.18 -0.07 0.70 0.00 -1.61 0.00 0.00 39.48 38.68 3gm6 n PHE 228 CO 0.00 0.00 0.00 0.52 -1.87 0.00 0.00 176.76 175.41 3gm6 h MET 229 N 0.00 0.00 -0.00 3.97 2.86 -1.53 -3.26 114.93 116.97 3gm6 h MET 229 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3gm6 h MET 229 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3gm6 h MET 229 CO 0.00 0.09 -0.08 0.00 1.06 0.00 0.00 176.91 177.98 3gm6 s HIS 231 N -0.95 1.37 0.15 0.00 3.76 -1.23 -1.71 115.29 116.68 3gm6 s HIS 231 Ca 0.01 -0.65 -0.31 0.00 -0.15 0.00 0.00 55.06 53.96 3gm6 s HIS 231 Cb 0.02 -1.16 -0.10 0.00 1.11 0.00 0.00 32.58 32.45 3gm6 s HIS 231 CO 0.07 -0.47 1.56 0.34 -0.85 0.00 0.00 174.74 175.39 3gm6 s ASP 232 N 1.68 6.62 0.48 1.40 2.15 -0.26 -4.37 116.67 124.36 3gm6 s ASP 232 Ca 0.04 2.57 0.27 0.00 0.43 0.00 0.00 52.55 55.86 3gm6 s ASP 232 Cb -0.13 -2.59 1.02 0.00 -0.30 0.00 0.00 42.92 40.92 3gm6 s ASP 232 CO -0.07 -0.81 1.86 1.55 -0.17 0.00 0.00 175.17 177.53 3gm6 h PRO 233 N 6.95 0.00 0.00 4.34 0.13 -1.91 -0.15 132.00 141.37 3gm6 h PRO 233 Ca -0.43 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.63 3gm6 h PRO 233 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3gm6 h PRO 233 CO 0.91 0.14 -0.42 0.45 -0.23 0.00 0.00 178.00 178.85 3gm6 h HIS 234 N 0.00 0.00 0.00 1.56 3.86 -1.94 -3.39 115.15 115.23 3gm6 h HIS 234 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3gm6 h HIS 234 Cb 0.69 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.16 3gm6 h HIS 234 CO 0.00 1.13 -1.02 -1.13 0.86 0.00 0.00 177.93 177.77 3gm6 n SER 235 N -4.56 0.68 0.00 2.45 3.41 -1.24 -4.08 113.62 110.28 3gm6 n SER 235 Ca -0.17 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 3gm6 n SER 235 Cb 0.54 0.62 0.00 0.00 -0.26 0.00 0.00 64.21 65.10 3gm6 n SER 235 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gm6 n ALA 236 N -2.02 0.00 -2.03 7.33 0.00 -0.07 -2.70 120.51 121.02 3gm6 n ALA 236 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.17 3gm6 n ALA 236 Cb 0.50 -0.98 0.03 0.00 0.00 0.00 0.00 19.45 19.00 3gm6 n ALA 236 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3gm6 s GLY 237 N -2.00 1.61 0.33 0.00 0.00 -1.26 -4.59 107.32 101.41 3gm6 s GLY 237 Ca 0.00 -0.56 -0.28 0.00 0.00 0.00 0.00 44.72 43.88 3gm6 s GLY 237 CO 0.00 -0.26 1.16 2.56 0.00 0.00 0.00 173.10 176.56 3gm6 s PRO 238 N -5.09 4.41 0.33 2.90 0.04 -1.26 -1.11 135.00 135.22 3gm6 s PRO 238 Ca 0.55 1.90 -0.14 0.00 0.04 0.00 0.00 61.00 63.34 3gm6 s PRO 238 Cb -0.11 -3.00 0.03 0.00 0.04 0.00 0.00 34.50 31.46 3gm6 s PRO 238 CO 0.47 -0.03 0.67 -0.98 0.04 0.00 0.00 177.00 177.17 3gm6 s ARG 239 N -1.79 1.95 0.17 4.56 1.70 -0.69 -1.45 118.95 123.39 3gm6 s ARG 239 Ca 0.49 -1.35 0.09 0.00 -0.47 0.00 0.00 55.73 54.50 3gm6 s ARG 239 Cb -0.33 0.57 -0.04 0.00 -0.57 0.00 0.00 34.95 34.57 3gm6 s ARG 239 CO 0.43 -0.88 -0.19 0.14 -1.08 0.00 0.00 175.30 173.71 3gm6 s VAL 240 N -3.13 1.90 -0.04 4.99 -7.23 -0.39 -4.17 120.40 112.33 3gm6 s VAL 240 Ca 0.18 -1.93 0.01 0.00 -1.81 0.00 0.00 61.98 58.43 3gm6 s VAL 240 Cb -0.04 -1.88 -0.01 0.00 0.56 0.00 0.00 36.38 35.01 3gm6 s VAL 240 CO 0.11 -0.28 0.04 1.33 -0.31 0.00 0.00 175.10 175.99 3gm6 n VAL 241 N 0.30 0.00 -2.24 1.32 0.24 -1.24 -1.03 118.33 115.67 3gm6 n VAL 241 Ca -0.13 -0.39 -0.43 0.00 -2.04 0.00 0.00 64.34 61.35 3gm6 n VAL 241 Cb 0.57 0.90 -0.02 0.00 -1.47 0.00 0.00 33.84 33.81 3gm6 n VAL 241 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3gm6 s ARG 242 N -1.28 3.91 0.19 7.34 6.06 -1.26 -4.85 118.95 129.07 3gm6 s ARG 242 Ca 0.00 1.57 -0.16 0.00 -2.50 0.00 0.00 55.73 54.65 3gm6 s ARG 242 Cb 0.01 -3.95 0.18 0.00 0.06 0.00 0.00 34.95 31.24 3gm6 s ARG 242 CO 0.04 -1.14 1.63 0.38 -2.50 0.00 0.00 175.30 173.72 3gm6 h ASP 243 N 9.89 -0.59 -0.57 -2.12 3.04 -1.96 -2.39 116.42 121.71 3gm6 h ASP 243 Ca -0.31 0.17 0.04 0.00 -3.24 0.00 0.00 57.03 53.69 3gm6 h ASP 243 Cb 1.13 0.37 -0.03 0.00 -1.04 0.00 0.00 39.33 39.76 3gm6 h ASP 243 CO 1.00 -0.20 0.38 1.23 -2.04 0.00 0.00 179.24 179.61 3gm6 h GLY 244 N -0.03 0.73 0.64 7.15 0.00 -1.91 -0.35 103.07 109.30 3gm6 h GLY 244 Ca 0.26 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 3gm6 h GLY 244 CO -0.57 0.21 -0.14 -2.00 0.00 0.00 0.00 176.54 174.04 3gm6 h LEU 245 N 0.63 0.27 -0.98 3.11 5.85 -1.80 -2.40 115.31 119.99 3gm6 h LEU 245 Ca 0.23 -0.53 0.05 0.00 0.84 0.00 0.00 57.88 58.47 3gm6 h LEU 245 Cb 0.14 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 3gm6 h LEU 245 CO -0.06 0.75 0.63 0.40 -0.34 0.00 0.00 178.44 179.83 3gm6 h ILE 246 N -0.20 1.12 -0.67 4.05 2.04 -1.11 -0.99 117.51 121.75 3gm6 h ILE 246 Ca 0.01 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 3gm6 h ILE 246 Cb 0.70 -0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 3gm6 h ILE 246 CO 0.03 0.22 0.38 -1.13 0.00 0.00 0.00 178.15 177.65 3gm6 h ASN 247 N 1.19 0.83 -0.06 1.72 -0.73 -1.00 0.06 115.58 117.58 3gm6 h ASN 247 Ca 0.41 -0.08 -0.05 0.00 1.87 0.00 0.00 56.30 58.45 3gm6 h ASN 247 Cb 0.09 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 38.47 3gm6 h ASN 247 CO -0.15 0.67 -0.16 0.00 -0.37 0.00 0.00 177.43 177.42 3gm6 h ALA 248 N 1.19 0.11 -0.10 1.57 0.00 -0.99 -1.38 119.26 119.65 3gm6 h ALA 248 Ca 0.24 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 3gm6 h ALA 248 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3gm6 h ALA 248 CO -0.04 0.02 -0.34 0.28 0.00 0.00 0.00 179.25 179.17 3gm6 h VAL 249 N -0.28 1.39 0.00 0.00 2.07 -1.13 -2.93 116.25 115.37 3gm6 h VAL 249 Ca -0.00 -1.67 -0.03 0.00 0.82 0.00 0.00 66.70 65.82 3gm6 h VAL 249 Cb 0.76 2.18 -0.00 0.00 -1.52 0.00 0.00 31.29 32.70 3gm6 h VAL 249 CO 0.03 0.49 -0.99 0.52 0.02 0.00 0.00 177.57 177.65 3gm6 n VAL 250 N -4.38 1.47 -0.26 2.57 0.31 -0.00 -1.94 118.33 116.09 3gm6 n VAL 250 Ca -0.08 0.14 -0.04 0.00 -0.01 0.00 0.00 64.34 64.35 3gm6 n VAL 250 Cb 0.50 -2.25 0.07 0.00 -0.91 0.00 0.00 33.84 31.26 3gm6 n VAL 250 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3gm6 h ASP 251 N -0.90 0.80 -0.12 4.52 3.32 -1.41 -1.74 116.42 120.89 3gm6 h ASP 251 Ca -0.04 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3gm6 h ASP 251 Cb 0.94 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.29 3gm6 h ASP 251 CO -0.02 0.57 0.00 0.54 -1.72 0.00 0.00 179.24 178.61 3gm6 n ARG 252 N -4.60 1.89 -2.14 3.56 1.74 -0.53 -4.97 116.66 111.61 3gm6 n ARG 252 Ca 0.07 -1.32 -0.19 0.00 -0.77 0.00 0.00 57.85 55.65 3gm6 n ARG 252 Cb 0.04 -1.45 -0.03 0.00 -1.02 0.00 0.00 32.46 30.00 3gm6 n ARG 252 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gm6 n GLY 253 N 1.23 0.22 0.20 -0.13 0.00 -0.66 -4.87 105.19 101.17 3gm6 n GLY 253 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 3gm6 n GLY 253 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gm6 h LEU 254 N 0.00 0.00 0.00 0.99 3.38 -1.36 -3.49 115.31 114.84 3gm6 h LEU 254 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3gm6 h LEU 254 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3gm6 h LEU 254 CO 0.54 0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.82 3gm6 n GLY 255 N 1.10 -0.74 0.21 0.83 0.00 -0.82 -3.94 105.19 101.84 3gm6 n GLY 255 Ca 0.03 -1.63 0.06 0.00 0.00 0.00 0.00 46.02 44.48 3gm6 n GLY 255 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3gm6 h THR 256 N 0.00 1.02 -2.82 2.61 1.35 -1.83 -3.35 112.91 109.89 3gm6 h THR 256 Ca 0.00 -1.07 -0.60 0.00 -0.55 0.00 0.00 66.41 64.19 3gm6 h THR 256 Cb 0.00 1.61 -0.40 0.00 -1.73 0.00 0.00 68.15 67.63 3gm6 h THR 256 CO 0.00 0.28 -0.78 -0.31 -0.25 0.00 0.00 175.52 174.47 3gm6 s TYR 257 N -4.15 1.88 0.63 4.73 1.51 -1.26 -4.99 117.35 115.70 3gm6 s TYR 257 Ca -0.02 -2.44 0.35 0.00 -1.01 0.00 0.00 57.07 53.94 3gm6 s TYR 257 Cb 0.14 -1.69 1.95 0.00 -0.11 0.00 0.00 41.96 42.25 3gm6 s TYR 257 CO 0.68 -0.76 2.18 -1.35 -1.11 0.00 0.00 175.55 175.19 3gm6 h PRO 258 N 6.33 0.00 -0.01 -1.71 0.11 -1.70 -0.12 132.00 134.90 3gm6 h PRO 258 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3gm6 h PRO 258 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3gm6 h PRO 258 CO 0.47 0.00 -0.15 0.72 -0.21 0.00 0.00 178.00 178.82 3gm6 n HIS 259 N -3.38 0.00 -3.44 0.65 8.25 -1.26 -4.74 115.22 111.30 3gm6 n HIS 259 Ca -0.01 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.22 3gm6 n HIS 259 Cb 0.22 -0.10 -0.11 0.00 1.12 0.00 0.00 29.99 31.12 3gm6 n HIS 259 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3gm6 s ASP 260 N -2.35 2.25 0.36 0.41 -1.08 -0.06 -5.02 116.67 111.18 3gm6 s ASP 260 Ca 0.29 -1.37 0.05 0.00 -0.52 0.00 0.00 52.55 51.00 3gm6 s ASP 260 Cb 0.20 0.14 0.68 0.00 -1.46 0.00 0.00 42.92 42.48 3gm6 s ASP 260 CO 0.46 -0.35 1.95 -0.65 0.52 0.00 0.00 175.17 177.10 3gm6 h PRO 261 N 7.75 0.58 -0.05 4.34 0.11 -1.85 -0.73 132.00 142.15 3gm6 h PRO 261 Ca -0.06 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 65.95 3gm6 h PRO 261 Cb 1.03 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 3gm6 h PRO 261 CO 0.31 0.50 -0.04 0.28 -0.21 0.00 0.00 178.00 178.84 3gm6 h VAL 262 N 0.58 1.35 -0.43 3.15 2.07 -1.95 -2.30 116.25 118.72 3gm6 h VAL 262 Ca 0.14 -1.13 -0.04 0.00 0.82 0.00 0.00 66.70 66.49 3gm6 h VAL 262 Cb 0.14 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 3gm6 h VAL 262 CO -0.01 0.31 0.10 0.50 0.02 0.00 0.00 177.57 178.48 3gm6 h LYS 263 N -0.30 0.65 -0.48 1.57 3.64 -1.89 -1.80 116.57 117.96 3gm6 h LYS 263 Ca 0.01 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 3gm6 h LYS 263 Cb 0.52 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 3gm6 h LYS 263 CO 0.01 0.60 0.26 0.77 -2.27 0.00 0.00 179.45 178.82 3gm6 h SER 264 N 0.63 0.58 0.22 4.20 0.02 -1.03 -0.20 113.55 117.96 3gm6 h SER 264 Ca 0.14 -0.04 -0.31 0.00 -0.84 0.00 0.00 61.79 60.74 3gm6 h SER 264 Cb 0.25 -0.15 0.04 0.00 0.14 0.00 0.00 62.40 62.68 3gm6 h SER 264 CO -0.00 0.46 -1.36 -0.08 -1.14 0.00 0.00 176.83 174.71 3gm6 h GLU 265 N 0.66 0.54 -0.38 3.45 4.57 -0.79 -3.00 114.58 119.64 3gm6 h GLU 265 Ca 0.17 -0.87 -0.14 0.00 -1.18 0.00 0.00 59.36 57.34 3gm6 h GLU 265 Cb 0.01 0.32 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 3gm6 h GLU 265 CO -0.03 1.41 -0.31 1.96 -1.18 0.00 0.00 179.01 180.86 3gm6 h GLN 266 N 0.13 0.84 -2.28 1.92 4.20 -1.24 -3.34 115.11 115.33 3gm6 h GLN 266 Ca -0.23 -0.39 -0.61 0.00 0.06 0.00 0.00 58.65 57.48 3gm6 h GLN 266 Cb 2.06 -0.01 -0.41 0.00 0.30 0.00 0.00 27.48 29.42 3gm6 h GLN 266 CO 0.26 1.03 -0.51 1.04 -0.67 0.00 0.00 178.83 179.98 3gm6 n GLN 267 N -4.08 3.22 -1.84 1.46 6.02 -0.10 -4.78 117.38 117.29 3gm6 n GLN 267 Ca -0.01 -4.80 -0.10 0.00 -0.01 0.00 0.00 57.00 52.07 3gm6 n GLN 267 Cb 0.49 -2.26 0.04 0.00 1.02 0.00 0.00 30.24 29.53 3gm6 n GLN 267 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gm6 n GLY 268 N 0.07 1.48 2.98 1.08 0.00 -1.13 -4.75 105.19 104.92 3gm6 n GLY 268 Ca 0.32 -2.11 -0.19 0.00 0.00 0.00 0.00 46.02 44.04 3gm6 n GLY 268 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3gm6 s MET 269 N -3.47 0.78 -0.21 1.61 1.75 -1.26 -1.37 119.30 117.14 3gm6 s MET 269 Ca 0.31 -0.25 -0.02 0.00 -1.25 0.00 0.00 55.69 54.48 3gm6 s MET 269 Cb -0.02 -0.75 0.00 0.00 2.84 0.00 0.00 34.83 36.90 3gm6 s MET 269 CO 0.20 0.10 -0.09 0.99 -0.65 0.00 0.00 175.02 175.57 3gm6 s THR 270 N 0.16 2.95 -0.03 10.11 2.01 -0.15 -4.94 115.64 125.75 3gm6 s THR 270 Ca -0.02 -0.65 -0.30 0.00 0.31 0.00 0.00 61.69 61.03 3gm6 s THR 270 Cb -0.07 -2.32 -0.03 0.00 0.01 0.00 0.00 72.50 70.08 3gm6 s THR 270 CO 0.00 0.45 1.10 -0.75 -0.69 0.00 0.00 174.62 174.73 3gm6 s LYS 271 N 1.42 4.43 -0.12 4.92 2.20 -1.26 -0.71 119.74 130.61 3gm6 s LYS 271 Ca 0.05 1.56 0.03 0.00 -0.36 0.00 0.00 55.97 57.26 3gm6 s LYS 271 Cb -0.14 -3.49 0.01 0.00 -1.51 0.00 0.00 37.83 32.69 3gm6 s LYS 271 CO -0.06 -0.29 -0.23 0.08 -0.36 0.00 0.00 175.35 174.49 3gm6 s VAL 272 N 1.68 2.05 -0.07 4.02 1.01 -0.37 -4.99 120.40 123.74 3gm6 s VAL 272 Ca 0.54 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.55 3gm6 s VAL 272 Cb -0.23 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 3gm6 s VAL 272 CO 0.24 0.55 -0.14 -0.89 0.00 0.00 0.00 175.10 174.86 3gm6 s THR 273 N 0.59 3.04 -0.05 3.92 2.01 -1.26 -1.35 115.64 122.54 3gm6 s THR 273 Ca -0.13 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.18 3gm6 s THR 273 Cb -0.17 -2.21 -0.03 0.00 0.01 0.00 0.00 72.50 70.11 3gm6 s THR 273 CO 0.03 0.58 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.08 3gm6 s PHE 274 N -0.47 2.84 0.27 4.92 0.08 -0.14 -5.01 117.98 120.47 3gm6 s PHE 274 Ca 0.06 -0.05 0.08 0.00 0.12 0.00 0.00 56.93 57.14 3gm6 s PHE 274 Cb -0.12 -1.67 -0.04 0.00 -0.57 0.00 0.00 43.02 40.62 3gm6 s PHE 274 CO 0.02 0.28 0.12 -0.65 -0.10 0.00 0.00 175.22 174.89 3gm6 s GLN 275 N -0.84 2.63 -0.11 0.44 -0.21 -1.26 -1.58 119.66 118.73 3gm6 s GLN 275 Ca 0.12 -1.24 -0.01 0.00 0.02 0.00 0.00 55.36 54.25 3gm6 s GLN 275 Cb -0.11 -2.37 0.03 0.00 1.00 0.00 0.00 33.01 31.56 3gm6 s GLN 275 CO 0.02 0.35 -0.05 1.03 -2.12 0.00 0.00 175.29 174.52 3gm6 s ARG 276 N -3.79 1.24 -1.51 2.91 1.81 -0.53 -4.78 118.95 114.30 3gm6 s ARG 276 Ca 0.33 -0.19 -0.06 0.00 -1.72 0.00 0.00 55.73 54.09 3gm6 s ARG 276 Cb -0.07 -1.48 0.01 0.00 -0.45 0.00 0.00 34.95 32.96 3gm6 s ARG 276 CO 0.23 -0.30 0.73 0.41 -0.68 0.00 0.00 175.30 175.69 3gm6 n GLY 277 N 5.00 -0.53 2.42 -3.53 0.00 -1.26 -2.13 105.19 105.15 3gm6 n GLY 277 Ca -0.11 0.16 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 3gm6 n GLY 277 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gm6 n ARG 278 N -4.25 -1.69 -4.97 1.61 5.12 -1.26 -5.00 116.66 106.23 3gm6 n ARG 278 Ca -0.08 0.97 -0.32 0.00 -1.93 0.00 0.00 57.85 56.48 3gm6 n ARG 278 Cb 0.60 -5.52 -0.15 0.00 -1.16 0.00 0.00 32.46 26.24 3gm6 n ARG 278 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 3gm6 s GLU 279 N -4.54 2.89 0.26 5.56 2.12 -0.91 -5.08 118.70 119.00 3gm6 s GLU 279 Ca 0.00 -0.76 -0.30 0.00 0.36 0.00 0.00 54.97 54.27 3gm6 s GLU 279 Cb 0.00 -2.41 -0.14 0.00 0.26 0.00 0.00 34.13 31.84 3gm6 s GLU 279 CO 0.00 0.37 1.30 -0.25 -0.54 0.00 0.00 175.26 176.14 3gm6 n ASP 280 N 3.03 2.39 0.06 -1.70 8.00 -1.26 -1.46 116.55 125.61 3gm6 n ASP 280 Ca -0.18 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.48 3gm6 n ASP 280 Cb 0.52 -1.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.23 3gm6 n ASP 280 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3gm6 n PHE 281 N 1.30 -0.66 -4.16 1.24 7.35 -0.61 -4.80 117.46 117.11 3gm6 n PHE 281 Ca 0.10 0.12 -0.10 0.00 -0.76 0.00 0.00 57.45 56.81 3gm6 n PHE 281 Cb 0.32 0.20 -0.10 0.00 0.35 0.00 0.00 39.48 40.24 3gm6 n PHE 281 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 3gm6 s ARG 282 N -2.00 0.96 0.06 -4.13 1.70 -1.01 -0.73 118.95 113.80 3gm6 s ARG 282 Ca 0.00 -1.46 -0.09 0.00 -0.47 0.00 0.00 55.73 53.71 3gm6 s ARG 282 Cb 0.00 0.17 0.00 0.00 -0.57 0.00 0.00 34.95 34.55 3gm6 s ARG 282 CO 0.00 -0.25 0.20 0.00 -1.08 0.00 0.00 175.30 174.17 3gm6 s ALA 283 N -4.00 -0.32 0.29 7.88 0.00 -1.26 -0.97 121.76 123.38 3gm6 s ALA 283 Ca 0.25 -0.41 0.05 0.00 0.00 0.00 0.00 51.96 51.84 3gm6 s ALA 283 Cb 0.07 0.38 -0.06 0.00 0.00 0.00 0.00 23.12 23.51 3gm6 s ALA 283 CO 0.02 -0.43 0.00 0.96 0.00 0.00 0.00 175.76 176.32 3gm6 s ILE 284 N -3.14 1.30 -0.28 0.00 -4.36 -0.45 -4.85 121.20 109.42 3gm6 s ILE 284 Ca -0.01 -2.05 0.02 0.00 -0.26 0.00 0.00 60.65 58.36 3gm6 s ILE 284 Cb 0.02 -2.57 0.08 0.00 1.25 0.00 0.00 42.46 41.23 3gm6 s ILE 284 CO -0.07 -0.18 -0.01 -0.83 0.24 0.00 0.00 174.94 174.09 3gm6 s GLY 285 N -3.43 1.52 0.13 6.27 0.00 -0.20 -1.24 107.32 110.37 3gm6 s GLY 285 Ca 0.32 -1.82 -0.30 0.00 0.00 0.00 0.00 44.72 42.92 3gm6 s GLY 285 CO 0.13 0.97 1.13 1.08 0.00 0.00 0.00 173.10 176.40 3gm6 s LEU 286 N 1.23 4.44 0.01 0.66 1.43 0.11 -1.26 118.68 125.30 3gm6 s LEU 286 Ca 0.01 2.05 -0.15 0.00 -1.03 0.00 0.00 54.13 55.01 3gm6 s LEU 286 Cb -0.19 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.38 3gm6 s LEU 286 CO -0.09 -0.31 0.42 -0.76 0.23 0.00 0.00 176.35 175.84 3gm6 s LEU 287 N 0.15 4.47 0.41 1.79 1.43 -0.53 -0.97 118.68 125.44 3gm6 s LEU 287 Ca 0.53 0.99 0.08 0.00 -1.03 0.00 0.00 54.13 54.69 3gm6 s LEU 287 Cb -0.29 -2.64 0.88 0.00 0.03 0.00 0.00 46.19 44.16 3gm6 s LEU 287 CO 0.33 0.31 2.05 0.44 0.23 0.00 0.00 176.35 179.71 3gm6 h ASP 288 N 4.62 0.42 -5.19 2.29 3.32 -1.54 -3.44 116.42 116.90 3gm6 h ASP 288 Ca -0.51 -0.02 -0.27 0.00 0.02 0.00 0.00 57.03 56.25 3gm6 h ASP 288 Cb 1.22 -0.11 -0.15 0.00 0.22 0.00 0.00 39.33 40.51 3gm6 h ASP 288 CO 0.62 0.33 -0.62 0.42 -1.72 0.00 0.00 179.24 178.26 3gm6 s THR 289 N -5.40 0.21 -1.46 0.35 -4.23 -1.26 -4.99 115.64 98.86 3gm6 s THR 289 Ca -0.08 -1.99 -0.11 0.00 -1.18 0.00 0.00 61.69 58.33 3gm6 s THR 289 Cb 0.17 -2.46 0.04 0.00 1.34 0.00 0.00 72.50 71.59 3gm6 s THR 289 CO 0.73 -0.09 2.35 0.00 -0.54 0.00 0.00 174.62 177.07 3gm6 n ALA 290 N -0.30 6.11 -2.96 3.99 0.00 -1.26 -4.87 120.51 121.22 3gm6 n ALA 290 Ca -0.00 -3.90 -0.44 0.00 0.00 0.00 0.00 53.44 49.10 3gm6 n ALA 290 Cb 0.66 -3.33 -0.04 0.00 0.00 0.00 0.00 19.45 16.74 3gm6 n ALA 290 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3gm6 s ASP 291 N 2.26 6.31 0.57 0.00 -1.08 -1.26 -4.91 116.67 118.57 3gm6 s ASP 291 Ca 0.52 -1.45 0.27 0.00 -0.52 0.00 0.00 52.55 51.36 3gm6 s ASP 291 Cb 0.15 -2.37 1.67 0.00 -1.46 0.00 0.00 42.92 40.90 3gm6 s ASP 291 CO -0.07 -1.22 2.20 0.77 0.52 0.00 0.00 175.17 177.37 3gm6 h SER 292 N 9.21 0.00 -0.85 -0.34 4.64 -1.97 -2.30 113.55 121.93 3gm6 h SER 292 Ca -0.16 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.22 3gm6 h SER 292 Cb 1.06 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.09 3gm6 h SER 292 CO 1.13 0.00 0.53 0.78 -0.87 0.00 0.00 176.83 178.40 3gm6 h ASN 293 N 0.00 0.84 0.47 4.97 2.35 -1.93 -1.06 115.58 121.23 3gm6 h ASN 293 Ca 0.02 0.01 -0.30 0.00 -0.55 0.00 0.00 56.30 55.48 3gm6 h ASN 293 Cb 0.11 -0.16 0.01 0.00 0.05 0.00 0.00 38.32 38.33 3gm6 h ASN 293 CO -0.00 0.54 -1.42 0.58 -1.65 0.00 0.00 177.43 175.48 3gm6 h VAL 294 N 0.98 1.31 -0.25 2.81 2.07 -1.81 -2.77 116.25 118.58 3gm6 h VAL 294 Ca 0.37 -2.87 0.05 0.00 0.82 0.00 0.00 66.70 65.06 3gm6 h VAL 294 Cb 0.15 2.89 -0.04 0.00 -1.52 0.00 0.00 31.29 32.77 3gm6 h VAL 294 CO -0.17 0.85 -0.03 0.24 0.02 0.00 0.00 177.57 178.49 3gm6 h MET 295 N 0.09 0.04 0.00 1.57 2.86 -1.26 -2.77 114.93 115.46 3gm6 h MET 295 Ca -0.21 -0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.34 3gm6 h MET 295 Cb 2.04 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.67 3gm6 h MET 295 CO 0.20 0.03 -0.45 0.00 1.06 0.00 0.00 176.91 177.75 3gm6 n ALA 297 N -2.41 1.62 0.22 0.00 0.00 -1.05 -1.60 120.51 117.30 3gm6 n ALA 297 Ca -0.01 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.50 3gm6 n ALA 297 Cb 0.49 -1.17 0.71 0.00 0.00 0.00 0.00 19.45 19.49 3gm6 n ALA 297 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3gm6 h GLN 298 N 0.00 0.00 0.00 0.00 4.20 -1.48 -3.39 115.11 114.45 3gm6 h GLN 298 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3gm6 h GLN 298 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3gm6 h GLN 298 CO 0.00 0.00 -0.52 0.00 -0.67 0.00 0.00 178.83 177.64 3gm6 n HIS 300 N -1.72 2.67 -4.15 0.00 8.25 -0.63 -4.86 115.22 114.80 3gm6 n HIS 300 Ca 0.00 -2.93 -0.10 0.00 -0.26 0.00 0.00 57.72 54.43 3gm6 n HIS 300 Cb 0.26 -2.16 -0.10 0.00 1.12 0.00 0.00 29.99 29.11 3gm6 n HIS 300 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3gm6 s VAL 301 N 0.68 0.08 0.15 1.59 -7.23 -0.67 -1.60 120.40 113.41 3gm6 s VAL 301 Ca 0.57 -1.89 -0.25 0.00 -1.81 0.00 0.00 61.98 58.60 3gm6 s VAL 301 Cb 0.17 -2.10 -0.08 0.00 0.56 0.00 0.00 36.38 34.93 3gm6 s VAL 301 CO -0.07 -0.38 0.76 -0.70 -0.31 0.00 0.00 175.10 174.40 3gm6 s GLU 302 N -4.06 4.53 0.17 4.82 2.56 -1.15 -4.41 118.70 121.16 3gm6 s GLU 302 Ca 0.26 1.12 -0.14 0.00 0.00 0.00 0.00 54.97 56.21 3gm6 s GLU 302 Cb 0.07 -3.26 0.01 0.00 2.00 0.00 0.00 34.13 32.95 3gm6 s GLU 302 CO 0.03 0.57 0.39 1.52 -0.56 0.00 0.00 175.26 177.22 3gm6 s TYR 303 N -1.12 0.07 -0.14 5.30 1.13 -1.26 -3.87 117.35 117.47 3gm6 s TYR 303 Ca 0.35 -0.43 -0.04 0.00 -1.41 0.00 0.00 57.07 55.55 3gm6 s TYR 303 Cb -0.23 0.18 -0.03 0.00 -1.10 0.00 0.00 41.96 40.78 3gm6 s TYR 303 CO 0.26 -0.79 -0.00 1.21 -2.51 0.00 0.00 175.55 173.72 3gm6 s ASN 304 N -2.90 5.14 -0.40 -0.18 2.47 0.83 -4.86 114.94 115.05 3gm6 s ASN 304 Ca 0.11 0.01 0.10 0.00 0.42 0.00 0.00 52.86 53.50 3gm6 s ASN 304 Cb 0.01 -1.73 0.38 0.00 -1.45 0.00 0.00 41.25 38.46 3gm6 s ASN 304 CO -0.04 0.24 1.13 0.00 -3.72 0.00 0.00 177.10 174.71 3gm6 s ASN 306 N -1.77 -0.09 0.94 0.00 4.22 -1.15 -4.54 114.94 112.55 3gm6 s ASN 306 Ca 0.25 -0.02 -0.12 0.00 -2.14 0.00 0.00 52.86 50.83 3gm6 s ASN 306 Cb 0.38 0.11 0.16 0.00 1.28 0.00 0.00 41.25 43.18 3gm6 s ASN 306 CO -0.05 -0.19 1.11 -2.16 -2.04 0.00 0.00 177.10 173.77 3gm6 s PRO 307 N -2.32 0.87 0.00 3.55 0.05 -1.26 -4.54 135.00 131.35 3gm6 s PRO 307 Ca 0.11 0.44 0.00 0.00 0.05 0.00 0.00 61.00 61.60 3gm6 s PRO 307 Cb 0.00 -1.79 0.00 0.00 0.05 0.00 0.00 34.50 32.76 3gm6 s PRO 307 CO -0.04 -2.41 0.00 0.41 0.05 0.00 0.00 177.00 175.01 3gm6 n GLY 308 N -1.63 3.01 3.15 0.56 0.00 -0.03 -4.93 105.19 105.32 3gm6 n GLY 308 Ca 0.06 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 3gm6 n GLY 308 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gm6 s TYR 309 N -0.35 0.33 0.06 1.61 2.02 -0.30 -0.74 117.35 119.97 3gm6 s TYR 309 Ca 0.00 -0.81 -0.22 0.00 -0.37 0.00 0.00 57.07 55.66 3gm6 s TYR 309 Cb 0.00 -0.22 -0.06 0.00 -0.40 0.00 0.00 41.96 41.28 3gm6 s TYR 309 CO 0.00 -0.46 0.66 -0.65 -1.57 0.00 0.00 175.55 173.53 3gm6 s GLN 310 N -3.88 4.38 0.37 -0.62 -0.21 -0.18 -0.86 119.66 118.65 3gm6 s GLN 310 Ca 0.06 0.89 0.07 0.00 0.02 0.00 0.00 55.36 56.41 3gm6 s GLN 310 Cb 0.06 -3.31 0.72 0.00 1.00 0.00 0.00 33.01 31.49 3gm6 s GLN 310 CO -0.10 0.45 1.91 -0.07 -2.12 0.00 0.00 175.29 175.36 3gm6 h LEU 311 N 5.13 0.33 -0.13 2.90 3.38 -1.83 0.12 115.31 125.21 3gm6 h LEU 311 Ca -0.46 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.40 3gm6 h LEU 311 Cb 1.21 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 3gm6 h LEU 311 CO 0.68 0.44 -0.11 0.77 0.09 0.00 0.00 178.44 180.32 3gm6 h SER 312 N 0.34 0.32 0.00 -0.43 4.64 -1.93 -3.39 113.55 113.10 3gm6 h SER 312 Ca 0.07 -0.46 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3gm6 h SER 312 Cb 0.33 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3gm6 h SER 312 CO 0.01 0.71 0.00 -0.90 -0.87 0.00 0.00 176.83 175.79 3gm6 n ASP 313 N -4.62 0.45 0.00 4.97 5.75 -1.24 -5.03 116.55 116.83 3gm6 n ASP 313 Ca -0.06 -1.19 0.00 0.00 -0.01 0.00 0.00 54.79 53.53 3gm6 n ASP 313 Cb 0.33 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 3gm6 n ASP 313 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gm6 n GLY 314 N -0.09 0.47 3.84 6.12 0.00 0.03 -4.98 105.19 110.58 3gm6 n GLY 314 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3gm6 n GLY 314 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gm6 s SER 315 N -2.28 6.38 0.26 1.61 1.04 -1.26 -4.53 113.70 114.92 3gm6 s SER 315 Ca 0.00 1.57 -0.29 0.00 0.48 0.00 0.00 55.95 57.70 3gm6 s SER 315 Cb 0.00 -2.50 -0.09 0.00 0.10 0.00 0.00 66.02 63.52 3gm6 s SER 315 CO 0.00 -0.76 1.26 -0.60 0.98 0.00 0.00 173.24 174.12 3gm6 s ARG 316 N -4.37 4.43 -0.28 4.02 6.06 -1.26 -1.02 118.95 126.54 3gm6 s ARG 316 Ca 0.59 2.06 -0.03 0.00 -2.50 0.00 0.00 55.73 55.85 3gm6 s ARG 316 Cb -0.11 -3.15 0.03 0.00 0.06 0.00 0.00 34.95 31.78 3gm6 s ARG 316 CO 0.38 -0.13 -0.01 0.08 -2.50 0.00 0.00 175.30 173.12 3gm6 s VAL 317 N -0.62 3.12 0.61 7.11 1.01 0.08 -4.87 120.40 126.84 3gm6 s VAL 317 Ca 0.51 -1.10 0.03 0.00 0.00 0.00 0.00 61.98 61.42 3gm6 s VAL 317 Cb -0.37 -2.67 0.08 0.00 0.00 0.00 0.00 36.38 33.43 3gm6 s VAL 317 CO 0.44 0.06 0.85 -0.83 0.00 0.00 0.00 175.10 175.62 3gm6 s GLY 318 N 1.33 1.79 0.56 4.51 0.00 -1.26 -0.85 107.32 113.39 3gm6 s GLY 318 Ca -0.01 -1.75 0.24 0.00 0.00 0.00 0.00 44.72 43.20 3gm6 s GLY 318 CO -0.02 -1.31 2.19 -0.33 0.00 0.00 0.00 173.10 173.63 3gm6 h MET 319 N -0.09 0.00 0.00 2.90 2.86 -1.90 -2.06 114.93 116.64 3gm6 h MET 319 Ca -0.36 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.26 3gm6 h MET 319 Cb 1.28 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.94 3gm6 h MET 319 CO 0.43 0.00 -0.11 0.38 1.06 0.00 0.00 176.91 178.68 3gm6 h ASP 320 N 0.00 0.00 -3.81 1.22 2.03 -1.94 -3.43 116.42 110.49 3gm6 h ASP 320 Ca 0.02 0.00 -0.50 0.00 -0.73 0.00 0.00 57.03 55.82 3gm6 h ASP 320 Cb 0.08 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.59 3gm6 h ASP 320 CO -0.00 0.11 0.43 -0.62 -1.03 0.00 0.00 179.24 178.12 3gm6 s ASP 321 N -6.12 7.33 0.53 4.15 -1.08 -0.77 -4.95 116.67 115.76 3gm6 s ASP 321 Ca -0.03 2.14 0.26 0.00 -0.52 0.00 0.00 52.55 54.40 3gm6 s ASP 321 Cb 0.13 -2.62 1.40 0.00 -1.46 0.00 0.00 42.92 40.38 3gm6 s ASP 321 CO 0.58 -0.09 1.98 0.03 0.52 0.00 0.00 175.17 178.19 3gm6 h ARG 322 N 3.76 0.01 0.00 4.34 2.47 -1.88 -1.52 114.38 121.55 3gm6 h ARG 322 Ca -0.46 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 3gm6 h ARG 322 Cb 1.21 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 3gm6 h ARG 322 CO 0.67 0.01 0.00 0.54 0.56 0.00 0.00 179.97 181.74 3gm6 n ARG 323 N -4.36 0.14 0.00 0.04 1.74 -1.26 -1.63 116.66 111.32 3gm6 n ARG 323 Ca 0.11 0.53 0.13 0.00 -0.77 0.00 0.00 57.85 57.85 3gm6 n ARG 323 Cb 0.66 -1.86 0.73 0.00 -1.02 0.00 0.00 32.46 30.97 3gm6 n ARG 323 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gm6 n ALA 324 N -1.74 2.41 -3.55 7.54 0.00 -0.57 -4.17 120.51 120.43 3gm6 n ALA 324 Ca 0.00 -0.14 -0.29 0.00 0.00 0.00 0.00 53.44 53.01 3gm6 n ALA 324 Cb 0.11 -1.44 -0.13 0.00 0.00 0.00 0.00 19.45 17.99 3gm6 n ALA 324 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3gm6 s ASN 325 N -2.35 3.28 -0.10 0.00 2.47 -0.65 -2.95 114.94 114.64 3gm6 s ASN 325 Ca 0.32 -2.11 -0.05 0.00 0.42 0.00 0.00 52.86 51.43 3gm6 s ASN 325 Cb 0.18 -0.56 0.05 0.00 -1.45 0.00 0.00 41.25 39.47 3gm6 s ASN 325 CO 0.37 -0.33 0.23 -2.28 -3.72 0.00 0.00 177.10 171.38 3gm6 s HIS 326 N 1.10 -0.31 -0.37 0.43 2.46 -0.70 -4.91 115.29 113.00 3gm6 s HIS 326 Ca 0.16 0.75 -0.15 0.00 0.47 0.00 0.00 55.06 56.29 3gm6 s HIS 326 Cb -0.22 0.02 -0.00 0.00 -0.13 0.00 0.00 32.58 32.25 3gm6 s HIS 326 CO -0.06 -0.23 0.35 -0.06 -2.47 0.00 0.00 174.74 172.27 3gm6 s PHE 327 N 1.33 3.21 0.32 3.88 0.40 -1.26 -0.12 117.98 125.74 3gm6 s PHE 327 Ca -0.08 -0.20 0.03 0.00 -0.60 0.00 0.00 56.93 56.07 3gm6 s PHE 327 Cb -0.11 -2.68 0.53 0.00 0.51 0.00 0.00 43.02 41.28 3gm6 s PHE 327 CO -0.08 -0.50 1.84 0.74 0.70 0.00 0.00 175.22 177.92 3gm6 h PHE 328 N 8.55 0.60 -6.39 0.36 0.04 -1.94 -3.46 116.94 114.70 3gm6 h PHE 328 Ca -0.29 -0.07 -0.48 0.00 2.80 0.00 0.00 57.97 59.93 3gm6 h PHE 328 Cb 1.14 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 39.09 3gm6 h PHE 328 CO 0.65 0.60 -0.87 1.87 -0.60 0.00 0.00 178.31 179.96 3gm6 n TRP 329 N -4.25 -1.71 -3.84 -0.55 -0.00 -1.26 -4.97 117.44 100.85 3gm6 n TRP 329 Ca 0.02 0.77 -0.12 0.00 -0.00 0.00 0.00 57.50 58.16 3gm6 n TRP 329 Cb 0.27 -3.91 -0.14 0.00 -0.00 0.00 0.00 31.31 27.53 3gm6 n TRP 329 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3gm6 s ALA 330 N -3.88 -0.12 1.11 5.87 0.00 -1.26 -5.01 121.76 118.46 3gm6 s ALA 330 Ca 0.00 0.19 -0.18 0.00 0.00 0.00 0.00 51.96 51.98 3gm6 s ALA 330 Cb -0.00 -0.12 0.25 0.00 0.00 0.00 0.00 23.12 23.25 3gm6 s ALA 330 CO 0.87 -0.04 1.18 0.54 0.00 0.00 0.00 175.76 178.31 3gm6 s ASN 331 N 0.17 1.79 0.34 0.00 2.20 -1.26 -4.69 114.94 113.49 3gm6 s ASN 331 Ca -0.01 0.54 0.03 0.00 -0.94 0.00 0.00 52.86 52.48 3gm6 s ASN 331 Cb -0.02 -0.75 0.61 0.00 -2.00 0.00 0.00 41.25 39.09 3gm6 s ASN 331 CO -0.00 -3.58 1.94 1.62 -2.94 0.00 0.00 177.10 174.14 3gm6 h VAL 332 N -2.21 1.18 0.00 3.54 3.04 -1.99 -0.78 116.25 119.03 3gm6 h VAL 332 Ca -0.45 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 64.72 3gm6 h VAL 332 Cb 1.28 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 31.11 3gm6 h VAL 332 CO 0.37 0.21 0.00 0.49 -1.01 0.00 0.00 177.57 177.63 3gm6 n PHE 333 N -4.37 0.54 0.67 3.17 3.72 -1.26 -3.03 117.46 116.90 3gm6 n PHE 333 Ca 0.04 0.16 0.07 0.00 -0.05 0.00 0.00 57.45 57.67 3gm6 n PHE 333 Cb 0.13 -0.76 -0.00 0.00 -0.94 0.00 0.00 39.48 37.92 3gm6 n PHE 333 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3gm6 n ASP 334 N -1.94 1.58 -0.12 4.37 8.00 -0.70 -4.75 116.55 122.99 3gm6 n ASP 334 Ca 0.06 -1.29 -0.11 0.00 0.71 0.00 0.00 54.79 54.16 3gm6 n ASP 334 Cb 0.39 0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 41.92 3gm6 n ASP 334 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3gm6 h TYR 335 N 1.72 0.65 -0.80 1.24 3.20 -1.09 -1.94 116.97 119.95 3gm6 h TYR 335 Ca 0.00 -0.11 0.05 0.00 3.14 0.00 0.00 58.73 61.80 3gm6 h TYR 335 Cb 0.52 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.57 3gm6 h TYR 335 CO 0.00 0.71 0.50 -0.22 -1.64 0.00 0.00 178.16 177.51 3gm6 h LYS 336 N 0.40 0.92 -0.76 1.82 3.64 -1.85 0.40 116.57 121.14 3gm6 h LYS 336 Ca 0.10 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 3gm6 h LYS 336 Cb 0.45 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 3gm6 h LYS 336 CO 0.02 0.61 0.39 1.49 -2.27 0.00 0.00 179.45 179.68 3gm6 h GLU 337 N 0.95 1.08 -0.57 1.90 4.81 -1.88 -0.72 114.58 120.15 3gm6 h GLU 337 Ca 0.34 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 3gm6 h GLU 337 Cb 0.09 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 3gm6 h GLU 337 CO -0.14 0.82 0.18 0.00 -0.73 0.00 0.00 179.01 179.14 3gm6 h ALA 338 N 1.20 1.24 -0.29 2.92 0.00 -0.41 0.12 119.26 124.03 3gm6 h ALA 338 Ca 0.26 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 3gm6 h ALA 338 Cb 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3gm6 h ALA 338 CO -0.04 0.54 -0.51 0.00 0.00 0.00 0.00 179.25 179.25 3gm6 h ALA 339 N 1.36 0.45 -0.84 0.00 0.00 -0.56 -3.14 119.26 116.52 3gm6 h ALA 339 Ca 0.19 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 3gm6 h ALA 339 Cb 0.25 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3gm6 h ALA 339 CO -0.01 0.63 0.45 1.96 0.00 0.00 0.00 179.25 182.28 3gm6 h GLN 340 N 0.62 1.17 -0.91 0.00 4.20 -0.92 -1.63 115.11 117.65 3gm6 h GLN 340 Ca 0.02 -0.14 0.17 0.00 0.06 0.00 0.00 58.65 58.76 3gm6 h GLN 340 Cb 1.11 -0.23 -0.07 0.00 0.30 0.00 0.00 27.48 28.59 3gm6 h GLN 340 CO 0.11 0.87 0.59 1.49 -0.67 0.00 0.00 178.83 181.22 3gm6 h GLU 341 N 1.17 0.57 -0.44 1.46 4.81 -0.92 -0.69 114.58 120.54 3gm6 h GLU 341 Ca 0.29 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3gm6 h GLU 341 Cb 0.05 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.30 3gm6 h GLU 341 CO -0.05 0.38 0.00 0.44 -0.73 0.00 0.00 179.01 179.05 3gm6 n ILE 342 N -4.57 1.50 -3.67 2.32 -5.35 -1.09 -5.02 119.36 103.50 3gm6 n ILE 342 Ca 0.19 -1.25 -0.30 0.00 -0.27 0.00 0.00 62.75 61.12 3gm6 n ILE 342 Cb 0.57 0.24 0.04 0.00 -1.74 0.00 0.00 39.64 38.75 3gm6 n ILE 342 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3gm6 n ASP 343 N 0.55 -5.04 -3.82 7.28 2.03 -0.27 -4.99 116.55 112.29 3gm6 n ASP 343 Ca 0.19 -0.99 -0.13 0.00 0.52 0.00 0.00 54.79 54.38 3gm6 n ASP 343 Cb 0.67 -3.50 -0.13 0.00 -0.72 0.00 0.00 41.12 37.43 3gm6 n ASP 343 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3gm6 s PHE 344 N -3.49 -0.11 0.16 -0.67 2.19 -1.00 -3.23 117.98 111.83 3gm6 s PHE 344 Ca 0.44 0.28 -0.00 0.00 0.33 0.00 0.00 56.93 57.98 3gm6 s PHE 344 Cb -0.15 0.01 -0.04 0.00 -1.31 0.00 0.00 43.02 41.53 3gm6 s PHE 344 CO 0.85 -0.07 0.05 -0.59 1.83 0.00 0.00 175.22 177.30 3gm6 s PHE 345 N 0.22 1.02 -0.22 10.12 -0.71 -0.04 -4.70 117.98 123.67 3gm6 s PHE 345 Ca -0.01 -1.19 -0.19 0.00 -1.04 0.00 0.00 56.93 54.50 3gm6 s PHE 345 Cb -0.02 -0.57 -0.18 0.00 -1.21 0.00 0.00 43.02 41.04 3gm6 s PHE 345 CO -0.01 -0.44 0.06 -0.25 -1.34 0.00 0.00 175.22 173.25 3gm6 n ASP 346 N -0.17 1.90 -3.86 1.98 9.92 -0.73 -1.15 116.55 124.44 3gm6 n ASP 346 Ca -0.05 0.38 -0.09 0.00 -0.53 0.00 0.00 54.79 54.50 3gm6 n ASP 346 Cb 0.64 -0.92 -0.04 0.00 -0.64 0.00 0.00 41.12 40.16 3gm6 n ASP 346 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3gm6 s PHE 347 N -2.41 0.10 -0.21 1.24 -0.71 -0.97 -4.61 117.98 110.41 3gm6 s PHE 347 Ca -0.31 -0.46 -0.07 0.00 -1.04 0.00 0.00 56.93 55.05 3gm6 s PHE 347 Cb 0.08 0.30 -0.04 0.00 -1.21 0.00 0.00 43.02 42.16 3gm6 s PHE 347 CO 0.57 -0.95 0.06 1.03 -1.34 0.00 0.00 175.22 174.60 3gm6 s ARG 348 N -3.94 3.84 0.23 1.99 0.52 -1.26 -0.28 118.95 120.05 3gm6 s ARG 348 Ca 0.15 -0.41 -0.31 0.00 -0.52 0.00 0.00 55.73 54.64 3gm6 s ARG 348 Cb -0.01 -3.24 -0.12 0.00 0.52 0.00 0.00 34.95 32.11 3gm6 s ARG 348 CO 0.02 0.10 1.67 -1.58 0.02 0.00 0.00 175.30 175.54 3gm6 s HIS 349 N 0.84 2.88 0.46 -0.53 5.65 -0.58 -4.70 115.29 119.32 3gm6 s HIS 349 Ca 0.03 0.48 0.15 0.00 0.25 0.00 0.00 55.06 55.97 3gm6 s HIS 349 Cb -0.14 -4.10 1.10 0.00 -1.18 0.00 0.00 32.58 28.26 3gm6 s HIS 349 CO 0.02 -4.05 2.04 0.00 -0.65 0.00 0.00 174.74 172.10 3gm6 h ALA 350 N 6.29 2.02 0.00 1.58 0.00 -1.48 -0.87 119.26 126.80 3gm6 h ALA 350 Ca -0.44 -0.01 -0.43 0.00 0.00 0.00 0.00 54.91 54.03 3gm6 h ALA 350 Cb 1.21 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 3gm6 h ALA 350 CO 0.91 -0.11 -2.47 2.41 0.00 0.00 0.00 179.25 180.00 3gm6 n THR 351 N -4.47 1.52 0.12 0.00 -1.04 -1.26 -4.63 114.28 104.52 3gm6 n THR 351 Ca 0.06 -0.46 0.11 0.00 -2.04 0.00 0.00 64.05 61.71 3gm6 n THR 351 Cb 0.28 -1.69 0.03 0.00 -1.82 0.00 0.00 70.33 67.13 3gm6 n THR 351 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 3gm6 h THR 352 N -0.56 0.05 0.00 12.58 1.35 -1.88 -3.44 112.91 121.01 3gm6 h THR 352 Ca -0.64 -1.09 0.00 0.00 -0.55 0.00 0.00 66.41 64.14 3gm6 h THR 352 Cb 1.74 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 3gm6 h THR 352 CO -0.27 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 175.64 3gm6 n GLY 353 N 1.18 0.47 3.77 5.82 0.00 -0.33 -4.94 105.19 111.15 3gm6 n GLY 353 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3gm6 n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gm6 s ALA 354 N -2.27 3.35 0.08 4.61 0.00 -1.26 -4.56 121.76 121.70 3gm6 s ALA 354 Ca 0.00 1.14 -0.31 0.00 0.00 0.00 0.00 51.96 52.79 3gm6 s ALA 354 Cb 0.00 -3.44 -0.08 0.00 0.00 0.00 0.00 23.12 19.60 3gm6 s ALA 354 CO 0.00 -0.60 1.53 0.00 0.00 0.00 0.00 175.76 176.69 3gm6 s ALA 355 N -1.23 3.66 0.10 0.00 0.00 -1.26 -1.52 121.76 121.51 3gm6 s ALA 355 Ca 0.52 1.15 0.05 0.00 0.00 0.00 0.00 51.96 53.68 3gm6 s ALA 355 Cb -0.36 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 19.09 3gm6 s ALA 355 CO 0.47 -0.91 -0.12 -0.51 0.00 0.00 0.00 175.76 174.69 3gm6 s LEU 356 N 2.02 2.38 0.31 0.00 1.43 0.62 -4.51 118.68 120.93 3gm6 s LEU 356 Ca 0.69 -0.77 -0.09 0.00 -1.03 0.00 0.00 54.13 52.93 3gm6 s LEU 356 Cb -0.38 -0.42 -0.07 0.00 0.03 0.00 0.00 46.19 45.36 3gm6 s LEU 356 CO 0.30 -0.19 0.64 -2.16 0.23 0.00 0.00 176.35 175.17 3gm6 s PRO 357 N -2.55 3.76 -0.23 1.29 0.04 -1.26 -1.78 135.00 134.27 3gm6 s PRO 357 Ca 0.05 0.29 -0.03 0.00 0.04 0.00 0.00 61.00 61.35 3gm6 s PRO 357 Cb -0.05 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.95 3gm6 s PRO 357 CO 0.01 0.16 -0.04 0.21 0.04 0.00 0.00 177.00 177.38 3gm6 s LYS 358 N -3.37 3.17 -0.06 4.56 2.47 -1.26 -4.90 119.74 120.34 3gm6 s LYS 358 Ca 0.48 -0.76 -0.06 0.00 -1.56 0.00 0.00 55.97 54.06 3gm6 s LYS 358 Cb -0.11 -3.02 -0.04 0.00 -1.46 0.00 0.00 37.83 33.20 3gm6 s LYS 358 CO 0.26 -0.28 0.19 -0.51 0.16 0.00 0.00 175.35 175.17 3gm6 s LEU 359 N 1.43 4.39 -0.02 5.43 2.01 -1.26 -4.90 118.68 125.75 3gm6 s LEU 359 Ca 0.04 0.49 0.01 0.00 0.01 0.00 0.00 54.13 54.67 3gm6 s LEU 359 Cb -0.15 -2.34 0.02 0.00 0.01 0.00 0.00 46.19 43.73 3gm6 s LEU 359 CO -0.03 0.34 -0.01 -1.10 1.01 0.00 0.00 176.35 176.56 3gm6 s GLN 360 N -1.37 0.31 0.00 1.70 1.11 -1.26 -4.78 119.66 115.37 3gm6 s GLN 360 Ca 0.21 0.01 0.00 0.00 0.01 0.00 0.00 55.36 55.58 3gm6 s GLN 360 Cb -0.13 -0.42 0.00 0.00 -1.01 0.00 0.00 33.01 31.45 3gm6 s GLN 360 CO 0.10 -0.07 0.00 -2.39 0.01 0.00 0.00 175.29 172.94 3gm6 n HIS 361 N 3.77 0.00 -1.34 0.91 1.44 -1.13 -2.92 115.22 115.94 3gm6 n HIS 361 Ca -0.23 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.26 3gm6 n HIS 361 Cb 0.53 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.55 3gm6 n HIS 361 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 3gm6 n PRO 362 N -0.49 2.37 -0.25 -1.40 -0.04 -1.26 -1.68 135.00 132.25 3gm6 n PRO 362 Ca 0.00 -1.94 -0.05 0.00 -0.04 0.00 0.00 63.50 61.46 3gm6 n PRO 362 Cb 0.00 -2.12 0.05 0.00 -0.04 0.00 0.00 33.50 31.39 3gm6 n PRO 362 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3gm6 h GLU 363 N 3.09 0.93 -0.22 0.54 3.07 -1.84 -1.48 114.58 118.67 3gm6 h GLU 363 Ca 0.35 -0.08 -0.02 0.00 -0.50 0.00 0.00 59.36 59.10 3gm6 h GLU 363 Cb 0.96 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.66 3gm6 h GLU 363 CO 0.70 0.65 0.04 0.00 -1.40 0.00 0.00 179.01 179.00 3gm6 h ALA 364 N 1.23 0.29 -0.05 3.43 0.00 -1.58 -1.17 119.26 121.40 3gm6 h ALA 364 Ca 0.25 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 3gm6 h ALA 364 Cb -0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3gm6 h ALA 364 CO -0.05 -0.04 -0.59 0.93 0.00 0.00 0.00 179.25 179.50 3gm6 h GLU 365 N 0.17 0.17 -0.45 0.00 3.07 -1.80 -2.90 114.58 112.83 3gm6 h GLU 365 Ca 0.07 -0.11 -0.05 0.00 -0.50 0.00 0.00 59.36 58.77 3gm6 h GLU 365 Cb 0.31 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 3gm6 h GLU 365 CO 0.00 0.71 0.09 1.15 -1.40 0.00 0.00 179.01 179.56 3gm6 h THR 366 N 0.13 1.24 -0.12 1.13 2.02 -1.14 -3.24 112.91 112.93 3gm6 h THR 366 Ca -0.00 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.32 3gm6 h THR 366 Cb 1.07 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 3gm6 h THR 366 CO 0.09 0.30 0.06 0.15 0.37 0.00 0.00 175.52 176.49 3gm6 h PHE 367 N 0.60 0.15 -2.23 3.16 3.57 -1.01 -3.43 116.94 117.74 3gm6 h PHE 367 Ca 0.14 0.00 -0.59 0.00 3.53 0.00 0.00 57.97 61.05 3gm6 h PHE 367 Cb 0.35 -0.05 0.06 0.00 2.79 0.00 0.00 35.95 39.10 3gm6 h PHE 367 CO 0.02 0.10 0.78 0.91 -2.23 0.00 0.00 178.31 177.90 3gm6 n TRP 368 N -4.51 2.23 -0.36 0.41 8.01 -1.17 -1.93 117.44 120.11 3gm6 n TRP 368 Ca -0.01 0.29 0.00 0.00 -1.31 0.00 0.00 57.50 56.47 3gm6 n TRP 368 Cb 0.09 -2.53 0.00 0.00 -2.01 0.00 0.00 31.31 26.86 3gm6 n TRP 368 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3gm6 n GLY 369 N 3.36 1.71 3.73 6.99 0.00 -1.26 -5.02 105.19 114.70 3gm6 n GLY 369 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3gm6 n GLY 369 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gm6 s SER 370 N -3.32 3.85 0.23 1.61 1.04 -0.81 -4.77 113.70 111.53 3gm6 s SER 370 Ca 0.00 1.75 -0.07 0.00 0.48 0.00 0.00 55.95 58.11 3gm6 s SER 370 Cb 0.00 -2.40 0.33 0.00 0.10 0.00 0.00 66.02 64.04 3gm6 s SER 370 CO 0.00 -2.44 1.81 0.58 0.98 0.00 0.00 173.24 174.17 3gm6 h VAL 371 N -1.41 0.93 -0.28 5.02 2.07 -1.89 -0.94 116.25 119.75 3gm6 h VAL 371 Ca -0.46 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 66.75 3gm6 h VAL 371 Cb 1.26 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3gm6 h VAL 371 CO 0.51 0.14 -0.04 0.45 0.02 0.00 0.00 177.57 178.65 3gm6 h HIS 372 N 0.74 0.59 -0.71 1.57 -0.00 -1.92 -2.48 115.15 112.95 3gm6 h HIS 372 Ca 0.35 -0.12 -0.02 0.00 -0.00 0.00 0.00 60.37 60.58 3gm6 h HIS 372 Cb 0.28 -0.15 -0.03 0.00 -0.00 0.00 0.00 27.41 27.51 3gm6 h HIS 372 CO -0.07 0.71 0.36 1.49 -0.00 0.00 0.00 177.93 180.41 3gm6 h GLU 373 N 0.30 1.01 0.00 2.45 4.22 -1.66 -1.66 114.58 119.24 3gm6 h GLU 373 Ca 0.08 -0.14 -0.02 0.00 0.08 0.00 0.00 59.36 59.36 3gm6 h GLU 373 Cb 0.50 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 3gm6 h GLU 373 CO 0.02 0.78 -0.09 0.00 -2.18 0.00 0.00 179.01 177.55 3gm6 h ARG 374 N 0.98 0.00 -0.53 1.92 2.47 -1.12 -2.07 114.38 116.03 3gm6 h ARG 374 Ca 0.25 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.97 3gm6 h ARG 374 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 3gm6 h ARG 374 CO -0.03 0.09 0.00 0.09 0.56 0.00 0.00 179.97 180.67 3gm6 n ASN 375 N -3.95 2.87 0.00 7.04 3.02 -0.69 -4.93 115.26 118.62 3gm6 n ASN 375 Ca -0.02 -2.12 0.00 0.00 -0.03 0.00 0.00 54.58 52.40 3gm6 n ASN 375 Cb 0.18 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 3gm6 n ASN 375 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gm6 n GLY 376 N 1.09 0.51 3.83 7.41 0.00 -0.78 -5.04 105.19 112.21 3gm6 n GLY 376 Ca 0.16 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 3gm6 n GLY 376 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gm6 s VAL 377 N -2.00 4.56 0.23 1.61 1.01 -0.79 -5.03 120.40 119.99 3gm6 s VAL 377 Ca 0.00 1.20 0.02 0.00 0.00 0.00 0.00 61.98 63.20 3gm6 s VAL 377 Cb 0.00 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 3gm6 s VAL 377 CO 0.00 -0.11 0.03 0.00 0.00 0.00 0.00 175.10 175.02 3gm6 s ALA 378 N -1.91 1.71 0.23 5.51 0.00 -1.26 -4.39 121.76 121.64 3gm6 s ALA 378 Ca 0.53 -1.77 -0.07 0.00 0.00 0.00 0.00 51.96 50.66 3gm6 s ALA 378 Cb -0.12 0.67 0.39 0.00 0.00 0.00 0.00 23.12 24.07 3gm6 s ALA 378 CO 0.18 -0.33 1.70 0.00 0.00 0.00 0.00 175.76 177.30 3gm6 h ALA 380 N 1.55 2.08 -0.00 0.00 0.00 -1.89 -1.54 119.26 119.46 3gm6 h ALA 380 Ca 0.38 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 3gm6 h ALA 380 Cb 0.60 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3gm6 h ALA 380 CO -0.45 -0.12 -0.16 -0.44 0.00 0.00 0.00 179.25 178.08 3gm6 h ASP 381 N 0.06 0.01 0.00 0.00 3.32 -1.36 -1.24 116.42 117.21 3gm6 h ASP 381 Ca 0.08 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3gm6 h ASP 381 Cb 0.23 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 3gm6 h ASP 381 CO -0.01 0.16 -1.74 0.00 -1.72 0.00 0.00 179.24 175.94 3gm6 n HIS 383 N -2.08 0.00 -2.84 0.00 8.25 -0.64 -3.63 115.22 114.28 3gm6 n HIS 383 Ca -0.04 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.30 3gm6 n HIS 383 Cb 0.45 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.60 3gm6 n HIS 383 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gm6 n MET 384 N -1.05 0.82 -1.40 -0.41 -0.00 -0.50 -2.60 117.12 111.98 3gm6 n MET 384 Ca 0.00 -2.08 -0.30 0.00 -0.00 0.00 0.00 57.70 55.32 3gm6 n MET 384 Cb 0.00 -1.36 0.12 0.00 -0.00 0.00 0.00 33.22 31.97 3gm6 n MET 384 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3gm6 s PRO 385 N 0.18 1.60 0.38 3.17 0.04 -1.02 -4.42 135.00 134.93 3gm6 s PRO 385 Ca 0.31 0.66 -0.28 0.00 0.04 0.00 0.00 61.00 61.74 3gm6 s PRO 385 Cb 0.24 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.81 3gm6 s PRO 385 CO -0.19 -1.97 1.50 1.63 0.04 0.00 0.00 177.00 178.02 3gm6 n LYS 386 N -3.67 2.69 -2.42 4.56 5.02 -1.26 -1.55 118.16 121.52 3gm6 n LYS 386 Ca 0.07 0.94 -0.39 0.00 -2.02 0.00 0.00 58.31 56.92 3gm6 n LYS 386 Cb 0.56 -2.69 -0.03 0.00 -0.02 0.00 0.00 35.03 32.85 3gm6 n LYS 386 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3gm6 s VAL 387 N -1.12 3.41 -0.21 -0.18 1.01 -0.39 -4.83 120.40 118.09 3gm6 s VAL 387 Ca 0.53 1.24 -0.07 0.00 0.00 0.00 0.00 61.98 63.69 3gm6 s VAL 387 Cb -0.47 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 3gm6 s VAL 387 CO 0.64 0.16 0.06 0.00 0.00 0.00 0.00 175.10 175.96 3gm6 s GLN 388 N -2.04 3.81 -0.04 2.72 0.00 -1.26 -4.65 119.66 118.21 3gm6 s GLN 388 Ca 0.53 -0.42 0.03 0.00 -0.00 0.00 0.00 55.36 55.50 3gm6 s GLN 388 Cb -0.29 -3.24 0.01 0.00 0.00 0.00 0.00 33.01 29.49 3gm6 s GLN 388 CO 0.37 0.07 -0.11 -0.51 0.00 0.00 0.00 175.29 175.11 3gm6 s LEU 389 N 0.91 1.72 0.19 2.60 1.43 -1.26 -5.04 118.68 119.23 3gm6 s LEU 389 Ca 0.03 -0.25 -0.13 0.00 -1.03 0.00 0.00 54.13 52.76 3gm6 s LEU 389 Cb -0.14 -0.71 0.11 0.00 0.03 0.00 0.00 46.19 45.48 3gm6 s LEU 389 CO 0.03 0.06 1.84 -0.33 0.23 0.00 0.00 176.35 178.18 3gm6 h GLU 390 N 6.64 0.74 -2.91 1.70 5.08 -2.03 -3.39 114.58 120.40 3gm6 h GLU 390 Ca -0.33 -0.04 -0.44 0.00 -1.00 0.00 0.00 59.36 57.55 3gm6 h GLU 390 Cb 1.18 -0.17 -0.40 0.00 0.50 0.00 0.00 28.75 29.86 3gm6 h GLU 390 CO 0.48 0.49 -0.73 -0.80 -1.00 0.00 0.00 179.01 177.45 3gm6 s ASN 391 N -5.70 2.26 0.00 1.42 0.01 -1.26 -5.15 114.94 106.52 3gm6 s ASN 391 Ca -0.13 -0.60 0.00 0.00 -0.71 0.00 0.00 52.86 51.42 3gm6 s ASN 391 Cb 0.13 -0.12 0.00 0.00 0.41 0.00 0.00 41.25 41.67 3gm6 s ASN 391 CO 0.75 -0.35 0.00 0.61 -1.51 0.00 0.00 177.10 176.60 3gm6 n GLY 392 N 5.29 0.53 3.66 0.66 0.00 -1.26 -5.11 105.19 108.95 3gm6 n GLY 392 Ca -0.07 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 3gm6 n GLY 392 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gm6 s LYS 393 N -2.00 4.27 0.36 1.61 2.20 -1.26 -4.93 119.74 119.99 3gm6 s LYS 393 Ca 0.00 1.27 -0.27 0.00 -0.36 0.00 0.00 55.97 56.61 3gm6 s LYS 393 Cb 0.00 -3.63 -0.09 0.00 -1.51 0.00 0.00 37.83 32.60 3gm6 s LYS 393 CO 0.00 -0.56 1.21 0.08 -0.36 0.00 0.00 175.35 175.73 3gm6 s VAL 394 N 2.94 3.02 0.21 4.02 1.01 -1.26 -5.05 120.40 125.29 3gm6 s VAL 394 Ca 0.42 0.93 -0.02 0.00 0.00 0.00 0.00 61.98 63.32 3gm6 s VAL 394 Cb -0.16 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 3gm6 s VAL 394 CO 0.08 0.15 0.17 -0.72 0.00 0.00 0.00 175.10 174.79 3gm6 s TYR 395 N -1.28 1.09 -0.24 5.22 1.13 -1.26 -5.04 117.35 116.97 3gm6 s TYR 395 Ca 0.53 -1.32 -0.17 0.00 -1.41 0.00 0.00 57.07 54.70 3gm6 s TYR 395 Cb -0.34 -0.48 -0.03 0.00 -1.10 0.00 0.00 41.96 40.01 3gm6 s TYR 395 CO 0.44 -0.69 0.47 0.99 -2.51 0.00 0.00 175.55 174.25 3gm6 s THR 396 N -4.12 5.12 0.22 -3.49 2.01 -1.26 -1.26 115.64 112.86 3gm6 s THR 396 Ca 0.37 0.81 -0.32 0.00 0.31 0.00 0.00 61.69 62.86 3gm6 s THR 396 Cb 0.06 -3.79 -0.13 0.00 0.01 0.00 0.00 72.50 68.65 3gm6 s THR 396 CO 0.12 0.15 1.58 -0.24 -0.69 0.00 0.00 174.62 175.54 3gm6 n SER 397 N 5.15 3.40 -1.54 3.53 2.88 -0.60 -4.83 113.62 121.62 3gm6 n SER 397 Ca -0.06 1.10 0.08 0.00 -1.33 0.00 0.00 58.87 58.66 3gm6 n SER 397 Cb 0.50 -1.50 0.35 0.00 -0.75 0.00 0.00 64.21 62.82 3gm6 n SER 397 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 3gm6 n HIS 398 N 3.00 1.63 -2.94 0.66 8.25 -1.26 -4.48 115.22 120.08 3gm6 n HIS 398 Ca 0.14 -0.74 -0.44 0.00 -0.26 0.00 0.00 57.72 56.42 3gm6 n HIS 398 Cb 0.32 -0.40 -0.04 0.00 1.12 0.00 0.00 29.99 31.00 3gm6 n HIS 398 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3gm6 s SER 399 N -1.12 6.21 -0.54 0.41 0.15 -1.20 -3.68 113.70 113.93 3gm6 s SER 399 Ca 0.50 -1.21 -0.25 0.00 0.70 0.00 0.00 55.95 55.69 3gm6 s SER 399 Cb 0.37 -2.38 0.04 0.00 -1.71 0.00 0.00 66.02 62.34 3gm6 s SER 399 CO 0.16 -1.31 0.97 -1.10 1.20 0.00 0.00 173.24 173.15 3gm6 s GLN 400 N 3.53 3.39 0.34 5.44 1.11 -1.26 -4.62 119.66 127.59 3gm6 s GLN 400 Ca 0.19 -0.13 -0.13 0.00 0.01 0.00 0.00 55.36 55.30 3gm6 s GLN 400 Cb -0.18 -4.03 0.03 0.00 -1.01 0.00 0.00 33.01 27.82 3gm6 s GLN 400 CO 0.08 -1.46 0.66 -0.98 0.01 0.00 0.00 175.29 173.60 3gm6 s ARG 401 N 4.03 2.00 0.38 2.91 1.70 -1.07 -4.80 118.95 124.10 3gm6 s ARG 401 Ca 0.33 -1.41 -0.28 0.00 -0.47 0.00 0.00 55.73 53.90 3gm6 s ARG 401 Cb -0.12 0.56 -0.11 0.00 -0.57 0.00 0.00 34.95 34.72 3gm6 s ARG 401 CO 0.21 -0.90 1.46 -0.08 -1.08 0.00 0.00 175.30 174.91 3gm6 s THR 402 N -2.98 2.14 -0.34 4.99 -1.32 -1.26 -4.45 115.64 112.43 3gm6 s THR 402 Ca 0.19 0.14 0.20 0.00 -1.21 0.00 0.00 61.69 61.02 3gm6 s THR 402 Cb -0.04 -3.09 0.21 0.00 -1.51 0.00 0.00 72.50 68.07 3gm6 s THR 402 CO 0.12 0.03 1.62 -0.81 -2.21 0.00 0.00 174.62 173.38 3gm6 n PRO 403 N 0.46 0.14 0.00 7.08 -0.04 -1.24 -2.88 135.00 138.52 3gm6 n PRO 403 Ca 0.01 0.57 0.23 0.00 -0.04 0.00 0.00 63.50 64.27 3gm6 n PRO 403 Cb 0.40 -1.90 0.72 0.00 -0.04 0.00 0.00 33.50 32.68 3gm6 n PRO 403 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gm6 h ARG 404 N 0.00 0.00 -0.00 0.54 3.08 -1.90 -0.95 114.38 115.14 3gm6 h ARG 404 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gm6 h ARG 404 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3gm6 h ARG 404 CO 0.00 0.00 -0.22 -0.25 -1.07 0.00 0.00 179.97 178.43 3gm6 n ASP 405 N -3.93 0.32 -2.74 7.04 9.92 -1.14 -4.35 116.55 121.68 3gm6 n ASP 405 Ca 0.11 -0.05 -0.09 0.00 -0.53 0.00 0.00 54.79 54.23 3gm6 n ASP 405 Cb 0.73 -0.10 0.07 0.00 -0.64 0.00 0.00 41.12 41.18 3gm6 n ASP 405 CO 0.00 0.00 0.00 1.15 0.13 0.00 0.00 177.20 178.48 3gm6 n MET 406 N -1.36 1.14 0.21 -1.24 0.00 -0.39 -4.99 117.12 110.48 3gm6 n MET 406 Ca 0.08 -2.48 0.05 0.00 0.00 0.00 0.00 57.70 55.34 3gm6 n MET 406 Cb 0.32 -0.74 0.47 0.00 0.00 0.00 0.00 33.22 33.27 3gm6 n MET 406 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 3gm6 h MET 407 N 2.56 0.00 -0.74 3.17 2.86 -1.69 -0.47 114.93 120.63 3gm6 h MET 407 Ca -0.16 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.46 3gm6 h MET 407 Cb 1.20 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.83 3gm6 h MET 407 CO 0.21 0.24 0.40 0.78 1.06 0.00 0.00 176.91 179.60 3gm6 h GLY 408 N 0.77 1.11 0.82 8.32 0.00 -1.94 -1.03 103.07 111.12 3gm6 h GLY 408 Ca -0.00 -0.51 -0.31 0.00 0.00 0.00 0.00 47.33 46.50 3gm6 h GLY 408 CO 0.03 0.49 -1.83 -1.06 0.00 0.00 0.00 176.54 174.17 3gm6 n GLN 409 N -4.45 0.66 0.00 4.80 3.00 -0.75 -2.52 117.38 118.12 3gm6 n GLN 409 Ca 0.07 0.27 0.12 0.00 -0.01 0.00 0.00 57.00 57.44 3gm6 n GLN 409 Cb 0.10 -1.75 0.23 0.00 0.00 0.00 0.00 30.24 28.81 3gm6 n GLN 409 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3gm6 n ALA 410 N -2.67 3.47 0.14 -1.58 0.00 -0.26 -4.67 120.51 114.94 3gm6 n ALA 410 Ca -0.22 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.77 3gm6 n ALA 410 Cb 1.06 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.47 3gm6 n ALA 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gm6 h LEU 412 N 0.00 0.00 -1.18 0.00 3.38 -1.30 -1.28 115.31 114.93 3gm6 h LEU 412 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3gm6 h LEU 412 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3gm6 h LEU 412 CO 0.00 0.00 0.08 0.78 0.09 0.00 0.00 178.44 179.39 3gm6 h ASN 413 N 0.00 0.61 0.18 -0.43 -0.26 -1.73 -3.06 115.58 110.89 3gm6 h ASN 413 Ca 0.00 -0.10 -0.31 0.00 -0.56 0.00 0.00 56.30 55.33 3gm6 h ASN 413 Cb 0.80 -0.16 0.01 0.00 -1.06 0.00 0.00 38.32 37.91 3gm6 h ASN 413 CO 0.00 0.62 -1.48 0.00 -1.06 0.00 0.00 177.43 175.51 3gm6 n HIS 415 N -3.78 2.31 0.30 0.00 8.25 -0.52 -4.82 115.22 116.96 3gm6 n HIS 415 Ca -0.22 -2.58 0.17 0.00 -0.26 0.00 0.00 57.72 54.84 3gm6 n HIS 415 Cb 1.00 -1.30 0.92 0.00 1.12 0.00 0.00 29.99 31.73 3gm6 n HIS 415 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gm6 h ALA 416 N 5.33 1.16 0.00 -1.41 0.00 -1.78 -2.22 119.26 120.34 3gm6 h ALA 416 Ca 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3gm6 h ALA 416 Cb 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3gm6 h ALA 416 CO 1.35 0.05 0.00 -0.85 0.00 0.00 0.00 179.25 179.80 3gm6 n GLU 417 N -3.37 0.04 -4.43 0.00 0.00 -1.26 -4.83 120.64 106.79 3gm6 n GLU 417 Ca -0.02 0.21 -0.29 0.00 0.00 0.00 0.00 57.16 57.05 3gm6 n GLU 417 Cb 0.17 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 29.99 3gm6 n GLU 417 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 3gm6 s TRP 418 N -2.92 2.45 0.68 -1.84 0.51 -0.84 -5.12 118.94 111.86 3gm6 s TRP 418 Ca 0.09 -0.31 -0.08 0.00 -2.12 0.00 0.00 56.10 53.69 3gm6 s TRP 418 Cb 0.11 -1.33 0.04 0.00 -0.81 0.00 0.00 33.47 31.47 3gm6 s TRP 418 CO 0.28 0.33 1.00 0.95 -0.51 0.00 0.00 176.95 179.01 3gm6 s THR 419 N -1.06 2.86 0.17 2.01 -4.23 -1.26 -4.94 115.64 109.19 3gm6 s THR 419 Ca 0.16 -0.05 -0.14 0.00 -1.18 0.00 0.00 61.69 60.47 3gm6 s THR 419 Cb -0.10 -3.21 0.06 0.00 1.34 0.00 0.00 72.50 70.58 3gm6 s THR 419 CO 0.08 -0.24 1.76 -0.08 -0.54 0.00 0.00 174.62 175.60 3gm6 h GLU 420 N -0.51 0.35 -0.80 3.99 4.81 -1.97 -1.96 114.58 118.48 3gm6 h GLU 420 Ca -0.45 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3gm6 h GLU 420 Cb 1.29 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 3gm6 h GLU 420 CO 0.61 0.23 0.51 -0.44 -0.73 0.00 0.00 179.01 179.20 3gm6 h ASP 421 N 0.36 0.94 -0.43 1.04 3.32 -1.99 -1.37 116.42 118.28 3gm6 h ASP 421 Ca 0.20 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 3gm6 h ASP 421 Cb 0.17 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3gm6 h ASP 421 CO -0.18 0.70 0.16 1.56 -1.72 0.00 0.00 179.24 179.76 3gm6 h GLN 422 N 1.10 0.65 -0.41 3.56 4.20 -1.83 -1.39 115.11 120.99 3gm6 h GLN 422 Ca 0.29 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.83 3gm6 h GLN 422 Cb -0.09 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 3gm6 h GLN 422 CO -0.06 0.61 0.08 0.00 -0.67 0.00 0.00 178.83 178.79 3gm6 h ALA 423 N 1.01 0.55 -0.96 3.87 0.00 -0.84 -1.77 119.26 121.12 3gm6 h ALA 423 Ca 0.14 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.90 3gm6 h ALA 423 Cb 0.21 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 3gm6 h ALA 423 CO -0.01 0.26 0.62 -0.07 0.00 0.00 0.00 179.25 180.05 3gm6 h LEU 424 N 0.54 1.00 -0.82 0.00 3.38 -1.20 -2.01 115.31 116.20 3gm6 h LEU 424 Ca 0.13 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 3gm6 h LEU 424 Cb 0.36 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3gm6 h LEU 424 CO 0.01 0.65 0.14 0.22 0.09 0.00 0.00 178.44 179.55 3gm6 h TYR 425 N 1.14 1.07 -0.60 1.13 3.20 -0.92 -1.00 116.97 120.99 3gm6 h TYR 425 Ca 0.40 -0.12 -0.09 0.00 3.14 0.00 0.00 58.73 62.06 3gm6 h TYR 425 Cb 0.13 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 3gm6 h TYR 425 CO -0.00 0.88 0.01 0.00 -1.64 0.00 0.00 178.16 177.41 3gm6 h ALA 426 N 1.18 0.89 -0.14 1.82 0.00 -0.92 -1.17 119.26 120.91 3gm6 h ALA 426 Ca 0.20 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3gm6 h ALA 426 Cb 0.37 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3gm6 h ALA 426 CO 0.00 0.66 0.06 0.82 0.00 0.00 0.00 179.25 180.80 3gm6 h ILE 427 N 0.95 1.14 -0.17 0.00 2.04 -1.05 -3.11 117.51 117.31 3gm6 h ILE 427 Ca 0.17 -0.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 3gm6 h ILE 427 Cb 0.53 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 3gm6 h ILE 427 CO 0.03 0.13 -0.19 0.44 0.00 0.00 0.00 178.15 178.56 3gm6 h ASP 428 N 0.09 0.27 -0.25 1.72 3.32 -0.90 -1.70 116.42 118.97 3gm6 h ASP 428 Ca 0.05 -0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.06 3gm6 h ASP 428 Cb 0.14 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 3gm6 h ASP 428 CO -0.01 0.48 0.08 0.22 -1.72 0.00 0.00 179.24 178.29 3gm6 h TYR 429 N 0.26 0.14 0.02 4.55 5.03 -1.17 0.64 116.97 126.44 3gm6 h TYR 429 Ca 0.05 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.37 3gm6 h TYR 429 Cb 0.49 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.74 3gm6 h TYR 429 CO 0.01 0.06 -0.01 0.82 -1.32 0.00 0.00 178.16 177.72 3gm6 h ILE 430 N 0.19 1.13 -0.48 1.81 2.04 -1.39 -2.16 117.51 118.65 3gm6 h ILE 430 Ca 0.11 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 3gm6 h ILE 430 Cb 0.08 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 3gm6 h ILE 430 CO -0.12 0.12 0.17 0.11 0.00 0.00 0.00 178.15 178.43 3gm6 h LYS 431 N -0.22 0.74 -0.42 2.37 1.57 -1.22 -0.50 116.57 118.89 3gm6 h LYS 431 Ca -0.00 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 3gm6 h LYS 431 Cb 0.21 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3gm6 h LYS 431 CO 0.00 0.68 0.24 -0.91 -0.57 0.00 0.00 179.45 178.89 3gm6 h ASN 432 N 0.64 0.51 -0.06 0.86 2.35 -0.87 -0.98 115.58 118.04 3gm6 h ASN 432 Ca 0.16 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3gm6 h ASN 432 Cb 0.23 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 3gm6 h ASN 432 CO -0.01 0.44 0.02 0.22 -1.65 0.00 0.00 177.43 176.44 3gm6 h TYR 433 N 0.54 0.09 -0.22 1.19 3.20 -1.21 -2.02 116.97 118.54 3gm6 h TYR 433 Ca 0.15 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.01 3gm6 h TYR 433 Cb 0.03 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3gm6 h TYR 433 CO -0.03 0.27 0.13 1.15 -1.64 0.00 0.00 178.16 178.05 3gm6 h THR 434 N -0.11 1.04 -0.89 1.81 2.02 -1.05 -2.70 112.91 113.02 3gm6 h THR 434 Ca 0.02 -0.09 0.01 0.00 0.77 0.00 0.00 66.41 67.12 3gm6 h THR 434 Cb 0.22 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.32 3gm6 h THR 434 CO -0.00 0.05 0.59 -0.74 0.37 0.00 0.00 175.52 175.79 3gm6 h HIS 435 N 0.28 1.12 -0.59 3.16 -0.00 -1.12 -0.74 115.15 117.25 3gm6 h HIS 435 Ca 0.08 0.03 0.10 0.00 -0.00 0.00 0.00 60.37 60.58 3gm6 h HIS 435 Cb -0.01 -0.38 -0.08 0.00 -0.00 0.00 0.00 27.41 26.94 3gm6 h HIS 435 CO -0.07 0.69 0.17 0.78 -0.00 0.00 0.00 177.93 179.49 3gm6 h GLY 436 N 1.19 0.79 2.00 5.26 0.00 -1.08 -0.29 103.07 110.94 3gm6 h GLY 436 Ca 0.33 -0.06 -0.14 0.00 0.00 0.00 0.00 47.33 47.46 3gm6 h GLY 436 CO -0.08 -0.07 -0.65 0.50 0.00 0.00 0.00 176.54 176.24 3gm6 h LYS 437 N 0.31 0.00 -0.19 4.80 1.79 -1.00 -1.50 116.57 120.78 3gm6 h LYS 437 Ca 0.31 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.76 3gm6 h LYS 437 Cb 0.42 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.06 3gm6 h LYS 437 CO -0.36 0.65 0.08 0.82 -1.08 0.00 0.00 179.45 179.56 3gm6 h ILE 438 N 0.00 1.16 -0.46 1.86 2.04 -0.69 -0.78 117.51 120.64 3gm6 h ILE 438 Ca -0.01 -0.48 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 3gm6 h ILE 438 Cb 1.15 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 3gm6 h ILE 438 CO 0.08 0.15 0.18 0.58 0.00 0.00 0.00 178.15 179.15 3gm6 h VAL 439 N 0.16 1.21 -0.56 1.67 2.07 -0.89 -0.98 116.25 118.93 3gm6 h VAL 439 Ca 0.06 -0.65 -0.07 0.00 0.82 0.00 0.00 66.70 66.87 3gm6 h VAL 439 Cb 0.17 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3gm6 h VAL 439 CO -0.01 0.24 0.08 0.11 0.02 0.00 0.00 177.57 178.02 3gm6 h LYS 440 N 0.60 0.91 -0.82 1.57 1.57 -1.24 -0.82 116.57 118.34 3gm6 h LYS 440 Ca 0.15 -0.22 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3gm6 h LYS 440 Cb 0.20 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 3gm6 h LYS 440 CO -0.01 0.85 0.53 0.77 -0.57 0.00 0.00 179.45 181.02 3gm6 h SER 441 N 0.86 0.91 -0.49 0.86 0.02 -0.75 -2.05 113.55 112.90 3gm6 h SER 441 Ca 0.18 -0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 61.00 3gm6 h SER 441 Cb 0.39 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 3gm6 h SER 441 CO 0.01 0.65 -0.14 -0.33 -1.14 0.00 0.00 176.83 175.88 3gm6 h GLU 442 N 1.07 0.97 -0.38 3.45 5.08 -0.69 -1.23 114.58 122.85 3gm6 h GLU 442 Ca 0.31 -0.38 0.06 0.00 -1.00 0.00 0.00 59.36 58.35 3gm6 h GLU 442 Cb -0.07 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.08 3gm6 h GLU 442 CO -0.08 1.05 0.08 -0.92 -1.00 0.00 0.00 179.01 178.13 3gm6 h TYR 443 N 0.82 0.13 -0.32 4.33 3.20 -0.82 0.04 116.97 124.34 3gm6 h TYR 443 Ca 0.12 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.89 3gm6 h TYR 443 Cb 0.70 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 3gm6 h TYR 443 CO 0.05 0.02 -0.28 -1.49 -1.64 0.00 0.00 178.16 174.82 3gm6 h TRP 444 N 0.21 0.91 -0.38 -3.82 4.06 -1.27 -1.45 115.95 114.21 3gm6 h TRP 444 Ca 0.18 -0.26 0.06 0.00 2.06 0.00 0.00 58.89 60.92 3gm6 h TRP 444 Cb 0.21 -0.20 -0.05 0.00 -1.00 0.00 0.00 29.16 28.12 3gm6 h TRP 444 CO -0.19 1.03 0.07 -0.07 -3.56 0.00 0.00 178.44 175.71 3gm6 h LEU 445 N 0.54 -0.01 -0.73 -4.49 3.38 -1.09 -1.74 115.31 111.17 3gm6 h LEU 445 Ca 0.06 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3gm6 h LEU 445 Cb 0.85 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 3gm6 h LEU 445 CO 0.07 0.03 0.44 0.00 0.09 0.00 0.00 178.44 179.07 3gm6 h ALA 446 N 1.29 0.93 -0.54 1.53 0.00 -0.86 0.17 119.26 121.77 3gm6 h ALA 446 Ca 0.18 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3gm6 h ALA 446 Cb 0.22 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3gm6 h ALA 446 CO -0.24 0.40 0.35 -0.22 0.00 0.00 0.00 179.25 179.53 3gm6 h LYS 447 N 0.99 0.69 0.09 0.00 3.64 -1.06 -0.96 116.57 119.96 3gm6 h LYS 447 Ca 0.26 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3gm6 h LYS 447 Cb -0.03 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 3gm6 h LYS 447 CO -0.05 0.45 -0.05 1.98 -2.27 0.00 0.00 179.45 179.52 3gm6 h MET 448 N 0.71 -0.12 -0.62 1.90 4.05 -0.96 -2.98 114.93 116.90 3gm6 h MET 448 Ca 0.21 0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.73 3gm6 h MET 448 Cb -0.05 0.03 -0.08 0.00 -0.80 0.00 0.00 31.60 30.70 3gm6 h MET 448 CO -0.06 0.11 0.22 0.82 0.23 0.00 0.00 176.91 178.24 3gm6 h ILE 449 N -0.35 0.75 0.00 1.77 2.04 -0.84 -1.17 117.51 119.71 3gm6 h ILE 449 Ca -0.01 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 3gm6 h ILE 449 Cb 0.29 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 3gm6 h ILE 449 CO 0.02 0.07 -0.07 0.44 0.00 0.00 0.00 178.15 178.61 3gm6 h ASP 450 N 0.40 0.00 1.49 1.72 3.32 -1.12 -2.17 116.42 120.05 3gm6 h ASP 450 Ca 0.32 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.34 3gm6 h ASP 450 Cb 0.41 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 3gm6 h ASP 450 CO -0.33 0.07 -0.13 -0.07 -1.72 0.00 0.00 179.24 177.06 3gm6 h LEU 451 N 0.00 0.00 0.13 1.55 3.38 -1.06 -3.37 115.31 115.95 3gm6 h LEU 451 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gm6 h LEU 451 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3gm6 h LEU 451 CO 0.01 0.13 -0.11 -0.26 0.09 0.00 0.00 178.44 178.30 3gm6 h PHE 452 N 0.00 -0.27 -0.80 1.13 -1.00 -1.35 0.01 116.94 114.66 3gm6 h PHE 452 Ca -0.00 -0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.79 3gm6 h PHE 452 Cb 0.91 0.10 -0.04 0.00 3.61 0.00 0.00 35.95 40.53 3gm6 h PHE 452 CO 0.00 -0.17 0.53 -1.35 -1.61 0.00 0.00 178.31 175.71 3gm6 h PRO 453 N -0.25 1.02 -0.32 1.51 0.11 -1.76 -0.76 132.00 131.57 3gm6 h PRO 453 Ca -0.00 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 3gm6 h PRO 453 Cb 0.23 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 3gm6 h PRO 453 CO -0.01 0.68 0.16 0.28 -0.21 0.00 0.00 178.00 178.90 3gm6 h VAL 454 N 1.05 1.15 -0.40 3.15 2.07 -1.67 -1.03 116.25 120.57 3gm6 h VAL 454 Ca 0.30 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 3gm6 h VAL 454 Cb -0.08 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3gm6 h VAL 454 CO -0.07 0.15 0.15 0.00 0.02 0.00 0.00 177.57 177.82 3gm6 h ALA 455 N 1.02 0.52 -0.21 1.67 0.00 -0.65 -0.57 119.26 121.05 3gm6 h ALA 455 Ca 0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gm6 h ALA 455 Cb 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3gm6 h ALA 455 CO -0.02 0.15 0.12 0.87 0.00 0.00 0.00 179.25 180.37 3gm6 h LYS 456 N 0.50 0.29 0.00 0.00 6.56 -1.01 -1.39 116.57 121.52 3gm6 h LYS 456 Ca 0.13 -0.03 -0.05 0.00 -1.06 0.00 0.00 60.65 59.65 3gm6 h LYS 456 Cb 0.22 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 31.81 3gm6 h LYS 456 CO -0.01 0.25 -0.22 0.00 -2.06 0.00 0.00 179.45 177.41 3gm6 h ARG 457 N 0.25 0.00 -0.00 3.15 3.08 -1.03 -2.04 114.38 117.79 3gm6 h ARG 457 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3gm6 h ARG 457 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3gm6 h ARG 457 CO -0.01 0.22 -0.07 0.00 -1.07 0.00 0.00 179.97 179.04 3gm6 n ALA 458 N -2.31 2.56 -0.65 0.04 0.00 -0.23 -4.93 120.51 114.99 3gm6 n ALA 458 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3gm6 n ALA 458 Cb 0.34 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3gm6 n ALA 458 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gm6 n GLY 459 N 1.42 0.68 3.76 0.00 0.00 -0.77 -4.84 105.19 105.45 3gm6 n GLY 459 Ca 0.10 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 3gm6 n GLY 459 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gm6 s VAL 460 N -2.00 2.05 0.68 1.61 1.01 -0.57 -4.95 120.40 118.23 3gm6 s VAL 460 Ca 0.00 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.88 3gm6 s VAL 460 Cb 0.00 -3.02 0.01 0.00 0.00 0.00 0.00 36.38 33.37 3gm6 s VAL 460 CO 0.00 0.00 1.11 -0.94 0.00 0.00 0.00 175.10 175.27 3gm6 s SER 461 N -0.69 4.99 0.43 3.32 1.04 -1.26 -4.81 113.70 116.71 3gm6 s SER 461 Ca 0.66 1.98 0.12 0.00 0.48 0.00 0.00 55.95 59.19 3gm6 s SER 461 Cb -0.42 -2.55 0.93 0.00 0.10 0.00 0.00 66.02 64.08 3gm6 s SER 461 CO 0.53 -1.71 1.99 -0.33 0.98 0.00 0.00 173.24 174.69 3gm6 h GLU 462 N -0.16 0.16 -0.69 4.02 4.39 -1.99 -1.86 114.58 118.44 3gm6 h GLU 462 Ca -0.46 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.14 3gm6 h GLU 462 Cb 1.25 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.84 3gm6 h GLU 462 CO 0.54 0.26 0.14 0.22 -1.16 0.00 0.00 179.01 179.01 3gm6 h ASP 463 N 0.15 1.07 -0.29 1.42 3.58 -1.99 0.10 116.42 120.46 3gm6 h ASP 463 Ca 0.03 -0.24 -0.17 0.00 0.42 0.00 0.00 57.03 57.08 3gm6 h ASP 463 Cb 0.26 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.03 3gm6 h ASP 463 CO 0.01 1.04 -0.46 0.58 -2.88 0.00 0.00 179.24 177.54 3gm6 h VAL 464 N 1.06 1.28 -0.65 2.25 2.07 -1.84 -2.06 116.25 118.36 3gm6 h VAL 464 Ca 0.21 -1.65 -0.04 0.00 0.82 0.00 0.00 66.70 66.05 3gm6 h VAL 464 Cb 0.41 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 3gm6 h VAL 464 CO 0.01 0.54 0.24 -0.07 0.02 0.00 0.00 177.57 178.30 3gm6 h LEU 465 N 0.60 0.88 -0.72 2.57 3.38 -1.16 -1.62 115.31 119.25 3gm6 h LEU 465 Ca 0.03 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 3gm6 h LEU 465 Cb 1.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3gm6 h LEU 465 CO 0.11 0.80 -0.21 0.78 0.09 0.00 0.00 178.44 180.01 3gm6 h ASN 466 N 0.94 0.77 -0.71 -0.43 -0.26 -0.72 0.10 115.58 115.27 3gm6 h ASN 466 Ca 0.22 -0.27 0.00 0.00 -0.56 0.00 0.00 56.30 55.69 3gm6 h ASN 466 Cb 0.21 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 37.22 3gm6 h ASN 466 CO -0.02 0.97 0.45 1.56 -1.06 0.00 0.00 177.43 179.33 3gm6 h GLN 467 N 0.67 0.95 -0.58 0.81 4.20 -0.96 -1.42 115.11 118.79 3gm6 h GLN 467 Ca 0.10 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 3gm6 h GLN 467 Cb 0.71 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 3gm6 h GLN 467 CO 0.05 0.65 0.10 0.00 -0.67 0.00 0.00 178.83 178.97 3gm6 h ALA 468 N 1.24 1.09 -0.44 3.87 0.00 -0.99 -2.61 119.26 121.41 3gm6 h ALA 468 Ca 0.26 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3gm6 h ALA 468 Cb -0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3gm6 h ALA 468 CO -0.05 0.60 -0.02 0.00 0.00 0.00 0.00 179.25 179.77 3gm6 h ARG 469 N 0.88 0.73 -0.64 0.00 3.08 -0.53 -0.08 114.38 117.82 3gm6 h ARG 469 Ca 0.18 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 3gm6 h ARG 469 Cb 0.37 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 3gm6 h ARG 469 CO 0.01 0.75 0.09 0.93 -1.07 0.00 0.00 179.97 180.68 3gm6 h GLU 470 N 0.68 1.06 -0.30 0.04 5.08 -1.11 -2.38 114.58 117.65 3gm6 h GLU 470 Ca 0.13 -0.28 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 3gm6 h GLU 470 Cb 0.45 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3gm6 h GLU 470 CO 0.02 0.98 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.74 3gm6 h LEU 471 N 0.99 0.54 -0.89 1.33 3.38 -1.08 -3.03 115.31 116.55 3gm6 h LEU 471 Ca 0.19 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3gm6 h LEU 471 Cb 0.44 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 3gm6 h LEU 471 CO 0.01 0.75 0.59 -0.74 0.09 0.00 0.00 178.44 179.14 3gm6 h HIS 472 N 0.49 1.10 -0.22 1.13 2.76 -0.53 -0.59 115.15 119.30 3gm6 h HIS 472 Ca 0.08 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.33 3gm6 h HIS 472 Cb 0.62 -0.37 -0.06 0.00 1.55 0.00 0.00 27.41 29.15 3gm6 h HIS 472 CO 0.02 0.66 -0.20 -0.92 -1.30 0.00 0.00 177.93 176.20 3gm6 h TYR 473 N 1.17 -0.51 -0.19 5.26 5.03 -1.34 0.57 116.97 126.96 3gm6 h TYR 473 Ca 0.34 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.66 3gm6 h TYR 473 Cb -0.07 0.26 -0.01 0.00 1.55 0.00 0.00 36.73 38.47 3gm6 h TYR 473 CO -0.01 -0.27 0.01 -0.44 -1.32 0.00 0.00 178.16 176.12 3gm6 h ASP 474 N -0.21 0.33 -0.75 -2.11 3.32 -1.55 -1.08 116.42 114.37 3gm6 h ASP 474 Ca 0.13 -0.30 0.05 0.00 0.02 0.00 0.00 57.03 56.93 3gm6 h ASP 474 Cb 0.40 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.81 3gm6 h ASP 474 CO -0.34 0.55 0.45 0.00 -1.72 0.00 0.00 179.24 178.18 3gm6 h ALA 475 N 0.79 1.01 0.48 3.45 0.00 -0.88 -1.99 119.26 122.12 3gm6 h ALA 475 Ca 0.06 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3gm6 h ALA 475 Cb 0.38 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3gm6 h ALA 475 CO 0.01 0.18 -0.23 1.25 0.00 0.00 0.00 179.25 180.46 3gm6 h HIS 476 N 0.84 -0.59 -0.52 0.00 -0.00 -0.80 -3.08 115.15 111.00 3gm6 h HIS 476 Ca 0.32 -0.01 0.10 0.00 -0.00 0.00 0.00 60.37 60.78 3gm6 h HIS 476 Cb 0.14 0.20 -0.10 0.00 -0.00 0.00 0.00 27.41 27.64 3gm6 h HIS 476 CO -0.05 -0.29 -0.19 1.25 -0.00 0.00 0.00 177.93 178.65 3gm6 h LEU 477 N -0.84 -0.67 -0.20 0.26 5.85 -1.04 0.13 115.31 118.79 3gm6 h LEU 477 Ca -0.07 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3gm6 h LEU 477 Cb 0.57 0.39 0.00 0.00 0.37 0.00 0.00 40.66 42.00 3gm6 h LEU 477 CO 0.11 -0.22 0.00 -1.22 -0.34 0.00 0.00 178.44 176.76 3gm6 n TYR 478 N -5.40 0.54 -0.07 1.25 4.01 -0.76 -2.71 117.16 114.01 3gm6 n TYR 478 Ca 0.05 0.18 -0.06 0.00 -0.16 0.00 0.00 57.90 57.91 3gm6 n TYR 478 Cb 0.31 -0.79 -0.02 0.00 -0.31 0.00 0.00 39.34 38.52 3gm6 n TYR 478 CO 0.00 0.00 0.00 1.87 -0.46 0.00 0.00 176.86 178.27 3gm6 n TRP 479 N -1.96 0.88 0.25 -0.72 -0.00 -1.00 -3.68 117.44 111.21 3gm6 n TRP 479 Ca 0.04 0.38 0.12 0.00 -0.00 0.00 0.00 57.50 58.04 3gm6 n TRP 479 Cb 0.31 -0.78 0.66 0.00 -0.00 0.00 0.00 31.31 31.49 3gm6 n TRP 479 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 3gm6 h GLU 480 N -1.00 0.00 -0.97 5.87 4.81 -0.73 -0.96 114.58 121.60 3gm6 h GLU 480 Ca -0.03 0.00 0.22 0.00 -0.13 0.00 0.00 59.36 59.42 3gm6 h GLU 480 Cb 0.60 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.86 3gm6 h GLU 480 CO -0.02 0.15 0.54 2.35 -0.73 0.00 0.00 179.01 181.30 3gm6 h TRP 481 N 0.00 0.92 0.00 0.92 2.91 -1.73 -0.35 115.95 118.62 3gm6 h TRP 481 Ca -0.00 0.04 -0.22 0.00 1.13 0.00 0.00 58.89 59.84 3gm6 h TRP 481 Cb 0.42 -0.26 -0.03 0.00 -0.51 0.00 0.00 29.16 28.78 3gm6 h TRP 481 CO 0.00 0.08 -1.21 -1.49 -1.03 0.00 0.00 178.44 174.78 3gm6 h TRP 482 N 0.58 0.00 -0.01 2.65 4.06 -1.47 -0.77 115.95 120.99 3gm6 h TRP 482 Ca 0.60 0.00 -0.22 0.00 2.06 0.00 0.00 58.89 61.33 3gm6 h TRP 482 Cb 1.08 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.24 3gm6 h TRP 482 CO -0.04 0.88 -0.91 1.79 -3.56 0.00 0.00 178.44 176.61 3gm6 h THR 483 N 0.00 1.41 -0.62 1.49 1.35 -1.58 -3.27 112.91 111.70 3gm6 h THR 483 Ca -0.12 -2.44 -0.07 0.00 -0.55 0.00 0.00 66.41 63.23 3gm6 h THR 483 Cb 1.78 2.39 -0.02 0.00 -1.73 0.00 0.00 68.15 70.56 3gm6 h THR 483 CO 0.09 0.73 0.09 0.00 -0.25 0.00 0.00 175.52 176.19 3gm6 h ALA 484 N 0.80 0.82 -2.77 6.62 0.00 -1.04 -3.45 119.26 120.25 3gm6 h ALA 484 Ca -0.07 -0.26 -0.50 0.00 0.00 0.00 0.00 54.91 54.08 3gm6 h ALA 484 Cb 1.53 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 3gm6 h ALA 484 CO 0.15 0.58 0.41 -2.00 0.00 0.00 0.00 179.25 178.39 3gm6 s GLU 485 N -5.19 4.76 0.00 0.00 -6.30 -0.30 -2.85 118.70 108.82 3gm6 s GLU 485 Ca -0.12 1.63 0.27 0.00 -2.50 0.00 0.00 54.97 54.24 3gm6 s GLU 485 Cb 0.13 -3.24 0.84 0.00 0.00 0.00 0.00 34.13 31.86 3gm6 s GLU 485 CO 0.84 0.38 1.62 0.09 0.02 0.00 0.00 175.26 178.21 3gm6 n ASN 486 N 1.38 0.84 -0.45 -1.70 3.02 -1.26 -4.09 115.26 113.00 3gm6 n ASN 486 Ca -0.02 -0.74 0.13 0.00 -0.03 0.00 0.00 54.58 53.92 3gm6 n ASN 486 Cb 0.46 0.09 0.27 0.00 -0.61 0.00 0.00 39.78 39.99 3gm6 n ASN 486 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3gm6 n SER 487 N -0.81 1.65 -3.94 6.41 3.41 -1.26 -4.96 113.62 114.12 3gm6 n SER 487 Ca 0.12 -1.33 -0.26 0.00 -0.26 0.00 0.00 58.87 57.15 3gm6 n SER 487 Cb 0.33 0.19 -0.01 0.00 -0.26 0.00 0.00 64.21 64.45 3gm6 n SER 487 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3gm6 n VAL 488 N -0.06 -3.05 0.00 -3.33 0.31 -1.26 -1.98 118.33 108.97 3gm6 n VAL 488 Ca 0.13 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 3gm6 n VAL 488 Cb 0.42 -2.72 0.00 0.00 -0.91 0.00 0.00 33.84 30.63 3gm6 n VAL 488 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gm6 n GLY 489 N -1.90 3.28 0.37 2.92 0.00 -1.26 -4.02 105.19 104.57 3gm6 n GLY 489 Ca -0.28 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.78 3gm6 n GLY 489 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3gm6 h PHE 490 N 0.00 1.19 0.00 1.61 3.57 -1.73 -1.52 116.94 120.07 3gm6 h PHE 490 Ca 0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 3gm6 h PHE 490 Cb 0.00 -0.39 -0.00 0.00 2.79 0.00 0.00 35.95 38.35 3gm6 h PHE 490 CO 0.00 0.60 -0.09 0.45 -2.23 0.00 0.00 178.31 177.04 3gm6 h HIS 491 N 1.15 0.00 -0.12 0.41 3.86 -1.92 -3.37 115.15 115.16 3gm6 h HIS 491 Ca 0.44 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.47 3gm6 h HIS 491 Cb 0.21 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.54 3gm6 h HIS 491 CO -0.00 0.09 -0.41 -1.71 0.86 0.00 0.00 177.93 176.75 3gm6 n ASN 492 N -3.42 -2.69 -0.13 2.45 2.85 -0.79 -4.58 115.26 108.95 3gm6 n ASN 492 Ca -0.01 -2.97 -0.01 0.00 -0.11 0.00 0.00 54.58 51.48 3gm6 n ASN 492 Cb 0.25 1.63 0.23 0.00 1.24 0.00 0.00 39.78 43.13 3gm6 n ASN 492 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3gm6 h PRO 493 N 3.99 0.82 -0.31 1.20 0.13 -1.48 -1.80 132.00 134.55 3gm6 h PRO 493 Ca -0.14 -0.12 -0.10 0.00 -0.87 0.00 0.00 66.00 64.77 3gm6 h PRO 493 Cb 1.07 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 3gm6 h PRO 493 CO 0.20 0.67 -0.23 -0.44 -0.23 0.00 0.00 178.00 177.98 3gm6 h ASP 494 N 0.81 0.60 -0.29 1.44 3.32 -1.97 -2.36 116.42 117.97 3gm6 h ASP 494 Ca 0.19 -0.20 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 3gm6 h ASP 494 Cb 0.16 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3gm6 h ASP 494 CO -0.02 0.82 -0.20 -0.61 -1.72 0.00 0.00 179.24 177.51 3gm6 h GLN 495 N 0.52 0.64 -0.58 3.56 4.15 -1.83 -1.92 115.11 119.66 3gm6 h GLN 495 Ca 0.08 -0.31 0.05 0.00 0.77 0.00 0.00 58.65 59.25 3gm6 h GLN 495 Cb 0.68 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.31 3gm6 h GLN 495 CO 0.05 0.90 0.30 0.00 -1.93 0.00 0.00 178.83 178.15 3gm6 h ALA 496 N 0.73 0.75 -0.05 3.38 0.00 -1.28 -1.06 119.26 121.73 3gm6 h ALA 496 Ca 0.06 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gm6 h ALA 496 Cb 0.74 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3gm6 h ALA 496 CO 0.05 -0.05 0.03 -0.09 0.00 0.00 0.00 179.25 179.20 3gm6 h ARG 497 N 0.56 0.07 -0.65 0.00 2.43 -1.33 -0.46 114.38 115.00 3gm6 h ARG 497 Ca 0.26 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.40 3gm6 h ARG 497 Cb 0.18 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 3gm6 h ARG 497 CO -0.18 0.08 0.30 1.49 -1.51 0.00 0.00 179.97 180.15 3gm6 h GLU 498 N 0.04 0.94 0.03 0.20 4.81 -1.16 -1.87 114.58 117.57 3gm6 h GLU 498 Ca 0.02 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 3gm6 h GLU 498 Cb 0.02 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.24 3gm6 h GLU 498 CO -0.00 0.75 -0.01 1.03 -0.73 0.00 0.00 179.01 180.05 3gm6 h SER 499 N 0.89 -0.03 -0.47 1.04 0.87 -1.03 -2.00 113.55 112.82 3gm6 h SER 499 Ca 0.22 -0.16 -0.09 0.00 -1.23 0.00 0.00 61.79 60.53 3gm6 h SER 499 Cb 0.13 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 3gm6 h SER 499 CO -0.03 0.15 -0.02 -0.07 -0.53 0.00 0.00 176.83 176.33 3gm6 h LEU 500 N -0.21 0.87 -1.14 2.23 3.38 -1.00 -0.74 115.31 118.70 3gm6 h LEU 500 Ca -0.00 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 3gm6 h LEU 500 Cb 0.19 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3gm6 h LEU 500 CO 0.01 0.95 0.11 0.24 0.09 0.00 0.00 178.44 179.83 3gm6 h MET 501 N 0.83 0.71 -0.64 1.13 2.86 -1.32 -2.22 114.93 116.27 3gm6 h MET 501 Ca 0.15 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3gm6 h MET 501 Cb 0.52 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 3gm6 h MET 501 CO 0.03 0.65 0.39 1.15 1.06 0.00 0.00 176.91 180.19 3gm6 h THR 502 N 0.69 1.18 -0.01 2.22 2.02 -0.59 -1.50 112.91 116.93 3gm6 h THR 502 Ca 0.15 -0.40 0.02 0.00 0.77 0.00 0.00 66.41 66.96 3gm6 h THR 502 Cb 0.27 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 3gm6 h THR 502 CO -0.00 0.19 -0.11 -1.28 0.37 0.00 0.00 175.52 174.68 3gm6 h SER 503 N 0.87 -0.32 -0.77 4.18 0.87 -0.72 -0.75 113.55 116.91 3gm6 h SER 503 Ca 0.23 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.84 3gm6 h SER 503 Cb -0.04 0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.03 3gm6 h SER 503 CO -0.04 -0.16 0.47 0.40 -0.53 0.00 0.00 176.83 176.97 3gm6 h ILE 504 N -0.19 1.21 -0.56 2.23 2.04 -1.36 -1.29 117.51 119.60 3gm6 h ILE 504 Ca 0.04 -0.45 0.01 0.00 1.00 0.00 0.00 64.86 65.46 3gm6 h ILE 504 Cb 0.24 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 3gm6 h ILE 504 CO -0.12 0.22 0.36 0.28 0.00 0.00 0.00 178.15 178.89 3gm6 h SER 505 N 1.05 0.62 -0.25 1.72 0.02 -0.90 -0.62 113.55 115.18 3gm6 h SER 505 Ca 0.28 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.18 3gm6 h SER 505 Cb -0.06 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 3gm6 h SER 505 CO -0.05 0.44 0.03 0.11 -1.14 0.00 0.00 176.83 176.22 3gm6 h LYS 506 N 0.73 0.42 -0.72 3.45 1.79 -0.73 -1.80 116.57 119.71 3gm6 h LYS 506 Ca 0.21 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 3gm6 h LYS 506 Cb -0.06 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.51 3gm6 h LYS 506 CO -0.06 0.56 0.47 0.77 -1.08 0.00 0.00 179.45 180.11 3gm6 h SER 507 N 0.21 0.84 -0.83 0.86 0.02 -1.07 -1.50 113.55 112.08 3gm6 h SER 507 Ca 0.07 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3gm6 h SER 507 Cb 0.35 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 3gm6 h SER 507 CO 0.01 0.62 0.43 0.11 -1.14 0.00 0.00 176.83 176.86 3gm6 h LYS 508 N 0.98 1.18 -0.55 3.45 1.57 -1.01 0.05 116.57 122.25 3gm6 h LYS 508 Ca 0.26 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3gm6 h LYS 508 Cb -0.09 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 31.97 3gm6 h LYS 508 CO -0.05 0.89 0.35 1.49 -0.57 0.00 0.00 179.45 181.56 3gm6 h GLU 509 N 1.17 0.74 -0.60 3.15 4.81 -0.99 -1.72 114.58 121.15 3gm6 h GLU 509 Ca 0.29 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 3gm6 h GLU 509 Cb 0.08 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 3gm6 h GLU 509 CO -0.04 0.51 0.26 0.00 -0.73 0.00 0.00 179.01 179.00 3gm6 h ALA 510 N 1.19 0.77 -0.54 2.92 0.00 -0.79 -1.89 119.26 120.92 3gm6 h ALA 510 Ca 0.20 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3gm6 h ALA 510 Cb -0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3gm6 h ALA 510 CO -0.04 0.37 0.22 0.28 0.00 0.00 0.00 179.25 180.08 3gm6 h VAL 511 N 0.82 1.22 -0.20 0.00 2.07 -0.77 -1.22 116.25 118.17 3gm6 h VAL 511 Ca 0.20 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 3gm6 h VAL 511 Cb 0.17 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3gm6 h VAL 511 CO -0.02 0.26 0.08 -1.28 0.02 0.00 0.00 177.57 176.62 3gm6 h SER 512 N 0.73 0.27 -0.18 0.57 0.87 -1.19 0.14 113.55 114.75 3gm6 h SER 512 Ca 0.18 -0.17 0.05 0.00 -1.23 0.00 0.00 61.79 60.62 3gm6 h SER 512 Cb 0.19 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.02 3gm6 h SER 512 CO -0.02 0.37 -0.17 0.25 -0.53 0.00 0.00 176.83 176.73 3gm6 h LEU 513 N 0.16 -0.55 -0.28 2.23 5.85 -1.18 -1.37 115.31 120.17 3gm6 h LEU 513 Ca 0.07 0.10 -0.14 0.00 0.84 0.00 0.00 57.88 58.75 3gm6 h LEU 513 Cb 0.18 0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 3gm6 h LEU 513 CO -0.01 -0.22 -0.37 -0.07 -0.34 0.00 0.00 178.44 177.44 3gm6 h LEU 514 N -0.19 0.82 -0.56 2.25 3.38 -1.13 -2.29 115.31 117.59 3gm6 h LEU 514 Ca 0.11 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3gm6 h LEU 514 Cb 0.36 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3gm6 h LEU 514 CO -0.30 1.16 0.35 0.78 0.09 0.00 0.00 178.44 180.52 3gm6 h ASN 515 N 0.50 0.66 -0.43 -0.43 2.35 -0.89 -0.70 115.58 116.65 3gm6 h ASN 515 Ca 0.03 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3gm6 h ASN 515 Cb 0.96 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.14 3gm6 h ASN 515 CO 0.09 0.50 0.28 0.44 -1.65 0.00 0.00 177.43 177.09 3gm6 h ASP 516 N 0.75 0.50 -0.57 5.81 3.32 -1.23 -1.18 116.42 123.83 3gm6 h ASP 516 Ca 0.20 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.15 3gm6 h ASP 516 Cb -0.05 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 3gm6 h ASP 516 CO -0.04 0.38 0.08 0.00 -1.72 0.00 0.00 179.24 177.94 3gm6 h ALA 517 N 1.14 1.00 -0.18 3.45 0.00 -1.13 -0.81 119.26 122.74 3gm6 h ALA 517 Ca 0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3gm6 h ALA 517 Cb -0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3gm6 h ALA 517 CO -0.03 0.63 0.05 0.82 0.00 0.00 0.00 179.25 180.72 3gm6 h ILE 518 N 0.93 1.19 -0.72 0.00 2.04 -0.99 -2.36 117.51 117.60 3gm6 h ILE 518 Ca 0.18 -0.61 0.03 0.00 1.00 0.00 0.00 64.86 65.47 3gm6 h ILE 518 Cb 0.43 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 3gm6 h ILE 518 CO 0.01 0.19 0.45 0.44 0.00 0.00 0.00 178.15 179.25 3gm6 h ASP 519 N 0.10 0.74 -0.64 1.72 3.32 -0.92 -1.50 116.42 119.25 3gm6 h ASP 519 Ca 0.06 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 3gm6 h ASP 519 Cb 0.24 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 3gm6 h ASP 519 CO -0.00 0.51 0.29 0.00 -1.72 0.00 0.00 179.24 178.32 3gm6 h ALA 520 N 1.31 1.25 -0.58 3.45 0.00 -1.11 -0.22 119.26 123.36 3gm6 h ALA 520 Ca 0.29 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3gm6 h ALA 520 Cb 0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3gm6 h ALA 520 CO -0.11 0.56 -0.04 1.96 0.00 0.00 0.00 179.25 181.62 3gm6 h GLN 521 N 0.96 1.04 -0.41 0.00 1.08 -0.84 -2.76 115.11 114.17 3gm6 h GLN 521 Ca 0.23 -0.35 -0.11 0.00 -1.45 0.00 0.00 58.65 56.98 3gm6 h GLN 521 Cb 0.15 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 3gm6 h GLN 521 CO -0.02 1.04 -0.18 0.28 -0.95 0.00 0.00 178.83 179.00 3gm6 h VAL 522 N 0.94 1.27 0.00 -0.54 2.07 -0.90 -2.84 116.25 116.24 3gm6 h VAL 522 Ca 0.16 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.41 3gm6 h VAL 522 Cb 0.60 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3gm6 h VAL 522 CO 0.04 0.43 0.00 0.00 0.02 0.00 0.00 177.57 178.06 3gm6 h ALA 523 N 1.10 1.00 -0.53 1.67 0.00 -0.82 -2.69 119.26 118.99 3gm6 h ALA 523 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3gm6 h ALA 523 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3gm6 h ALA 523 CO 0.05 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.17 3gm6 n SER 524 N -3.02 4.55 0.00 0.00 3.41 -1.06 -5.09 113.62 112.41 3gm6 n SER 524 Ca -0.01 -2.58 0.00 0.00 -0.26 0.00 0.00 58.87 56.02 3gm6 n SER 524 Cb 0.22 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 3gm6 n SER 524 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74