#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gr6 s LEU 11 N 0.00 3.52 0.25 -4.53 1.02 -1.26 -4.54 118.68 113.15 2gr6 s LEU 11 Ca 0.00 -0.07 -0.30 0.00 0.02 0.00 0.00 54.13 53.79 2gr6 s LEU 11 Cb 0.00 -1.89 -0.09 0.00 0.02 0.00 0.00 46.19 44.23 2gr6 s LEU 11 CO 0.00 0.12 1.06 0.00 0.02 0.00 0.00 176.35 177.54 2gr6 s ALA 12 N 0.70 3.38 0.21 4.21 0.00 0.30 -4.95 121.76 125.61 2gr6 s ALA 12 Ca 0.02 0.81 -0.32 0.00 0.00 0.00 0.00 51.96 52.47 2gr6 s ALA 12 Cb -0.14 -3.30 -0.14 0.00 0.00 0.00 0.00 23.12 19.54 2gr6 s ALA 12 CO 0.02 -0.07 1.32 -0.35 0.00 0.00 0.00 175.76 176.68 2gr6 n PRO 13 N 1.49 1.70 -1.80 0.00 -0.04 -1.26 -4.77 135.00 130.32 2gr6 n PRO 13 Ca -0.01 0.61 -0.42 0.00 -0.04 0.00 0.00 63.50 63.64 2gr6 n PRO 13 Cb 0.46 -2.20 -0.03 0.00 -0.04 0.00 0.00 33.50 31.68 2gr6 n PRO 13 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2gr6 s LEU 14 N 0.33 4.17 0.58 1.53 2.96 -1.26 -4.94 118.68 122.04 2gr6 s LEU 14 Ca 0.70 2.30 -0.19 0.00 -0.22 0.00 0.00 54.13 56.72 2gr6 s LEU 14 Cb -0.73 -3.53 -0.06 0.00 0.50 0.00 0.00 46.19 42.37 2gr6 s LEU 14 CO 0.50 -1.21 0.88 -2.65 -1.32 0.00 0.00 176.35 172.55 2gr6 n PRO 15 N 7.68 0.85 -0.05 0.98 -0.02 -1.26 -4.85 135.00 138.32 2gr6 n PRO 15 Ca 0.21 0.33 0.14 0.00 -2.02 0.00 0.00 63.50 62.16 2gr6 n PRO 15 Cb 0.43 -2.06 0.56 0.00 -0.02 0.00 0.00 33.50 32.41 2gr6 n PRO 15 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2gr6 h PRO 16 N 0.51 0.27 0.00 0.52 0.11 -2.05 -2.59 132.00 128.78 2gr6 h PRO 16 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2gr6 h PRO 16 Cb 1.37 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2gr6 h PRO 16 CO 0.50 0.18 -0.17 -2.39 -0.21 0.00 0.00 178.00 175.91 2gr6 n HIS 17 N -4.45 0.51 -2.96 0.65 1.44 -1.26 -4.80 115.22 104.36 2gr6 n HIS 17 Ca 0.10 0.15 -0.41 0.00 -2.01 0.00 0.00 57.72 55.55 2gr6 n HIS 17 Cb 0.44 -0.70 -0.04 0.00 0.12 0.00 0.00 29.99 29.81 2gr6 n HIS 17 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2gr6 s VAL 18 N -3.08 4.95 0.20 0.61 1.01 -0.98 -4.91 120.40 118.20 2gr6 s VAL 18 Ca 0.11 1.54 -0.31 0.00 0.00 0.00 0.00 61.98 63.31 2gr6 s VAL 18 Cb 0.15 -4.09 -0.11 0.00 0.00 0.00 0.00 36.38 32.33 2gr6 s VAL 18 CO 0.61 0.11 1.59 -2.84 0.00 0.00 0.00 175.10 174.56 2gr6 s PRO 19 N 1.69 4.19 0.39 2.72 0.02 -1.26 -4.85 135.00 137.90 2gr6 s PRO 19 Ca 0.37 2.43 0.11 0.00 0.02 0.00 0.00 61.00 63.94 2gr6 s PRO 19 Cb -0.17 -3.12 0.91 0.00 0.02 0.00 0.00 34.50 32.14 2gr6 s PRO 19 CO 0.14 -0.61 1.90 0.93 -0.33 0.00 0.00 177.00 179.03 2gr6 h GLU 20 N 6.34 0.56 0.00 5.54 3.07 -1.95 -1.85 114.58 126.29 2gr6 h GLU 20 Ca -0.44 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 2gr6 h GLU 20 Cb 1.21 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.99 2gr6 h GLU 20 CO 0.89 0.37 0.00 -2.39 -1.40 0.00 0.00 179.01 176.48 2gr6 n HIS 21 N -4.51 0.00 -0.11 4.33 1.44 -1.26 -3.09 115.22 112.02 2gr6 n HIS 21 Ca 0.15 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.94 2gr6 n HIS 21 Cb 0.46 -0.09 0.19 0.00 0.12 0.00 0.00 29.99 30.67 2gr6 n HIS 21 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2gr6 n LEU 22 N -1.09 3.12 -4.69 2.39 4.77 -0.69 -4.97 117.00 115.84 2gr6 n LEU 22 Ca 0.19 -1.85 -0.42 0.00 -0.03 0.00 0.00 56.01 53.90 2gr6 n LEU 22 Cb 0.14 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 2gr6 n LEU 22 CO 0.18 0.76 0.84 -0.69 -1.33 0.00 0.00 177.39 177.14 2gr6 s VAL 23 N -1.04 4.57 -0.28 4.08 1.01 -1.18 0.04 120.40 127.60 2gr6 s VAL 23 Ca 0.30 1.85 -0.02 0.00 0.00 0.00 0.00 61.98 64.11 2gr6 s VAL 23 Cb 0.16 -4.19 0.11 0.00 0.00 0.00 0.00 36.38 32.46 2gr6 s VAL 23 CO 0.21 0.03 0.21 0.12 0.00 0.00 0.00 175.10 175.67 2gr6 s PHE 24 N 1.88 -0.09 -0.92 5.22 5.36 0.67 -4.87 117.98 125.24 2gr6 s PHE 24 Ca 0.52 -0.44 -0.06 0.00 -0.96 0.00 0.00 56.93 55.99 2gr6 s PHE 24 Cb -0.22 -0.65 -0.05 0.00 -0.34 0.00 0.00 43.02 41.76 2gr6 s PHE 24 CO 0.21 -0.84 2.13 -0.25 -1.46 0.00 0.00 175.22 175.02 2gr6 n ASP 25 N 5.28 5.01 -4.73 6.13 10.43 -1.26 -3.37 116.55 134.03 2gr6 n ASP 25 Ca -0.04 -2.32 -0.41 0.00 2.57 0.00 0.00 54.79 54.58 2gr6 n ASP 25 Cb 0.45 -1.10 -0.04 0.00 1.84 0.00 0.00 41.12 42.27 2gr6 n ASP 25 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 2gr6 s PHE 26 N 3.35 3.53 -0.40 1.24 5.36 -1.26 -4.83 117.98 124.97 2gr6 s PHE 26 Ca 0.40 1.52 -0.07 0.00 -0.96 0.00 0.00 56.93 57.82 2gr6 s PHE 26 Cb 0.10 -3.33 0.08 0.00 -0.34 0.00 0.00 43.02 39.53 2gr6 s PHE 26 CO -0.03 -0.83 0.21 0.34 -1.46 0.00 0.00 175.22 173.44 2gr6 s ASP 27 N 0.11 5.48 0.41 6.13 -1.08 -1.26 -4.54 116.67 121.92 2gr6 s ASP 27 Ca 0.51 -1.51 0.29 0.00 -0.52 0.00 0.00 52.55 51.32 2gr6 s ASP 27 Cb -0.30 -1.93 1.44 0.00 -1.46 0.00 0.00 42.92 40.67 2gr6 s ASP 27 CO 0.35 -0.49 1.87 0.00 0.52 0.00 0.00 175.17 177.42 2gr6 h MET 28 N 8.29 0.00 -0.20 4.34 -0.00 -1.96 -2.21 114.93 123.19 2gr6 h MET 28 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.49 2gr6 h MET 28 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.68 2gr6 h MET 28 CO 0.71 0.00 0.00 0.66 -0.00 0.00 0.00 176.91 178.28 2gr6 n TYR 29 N -2.54 0.25 -2.69 -0.10 4.02 -1.26 -2.83 117.16 112.00 2gr6 n TYR 29 Ca -0.01 -0.15 -0.04 0.00 -0.01 0.00 0.00 57.90 57.69 2gr6 n TYR 29 Cb 0.12 -0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.48 2gr6 n TYR 29 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2gr6 n ASN 30 N 1.17 -1.94 -4.80 7.72 4.05 -0.85 -4.57 115.26 116.04 2gr6 n ASN 30 Ca 0.14 -1.71 -0.38 0.00 0.45 0.00 0.00 54.58 53.08 2gr6 n ASN 30 Cb 0.52 1.02 -0.06 0.00 1.23 0.00 0.00 39.78 42.49 2gr6 n ASN 30 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2gr6 s PRO 31 N 0.75 4.37 0.23 1.20 0.04 -1.11 -4.62 135.00 135.86 2gr6 s PRO 31 Ca 0.26 0.97 -0.09 0.00 0.04 0.00 0.00 61.00 62.18 2gr6 s PRO 31 Cb 0.13 -3.07 0.36 0.00 0.04 0.00 0.00 34.50 31.96 2gr6 s PRO 31 CO -0.10 0.49 1.66 0.77 0.04 0.00 0.00 177.00 179.85 2gr6 h SER 32 N 3.89 -0.25 -0.40 6.66 0.02 -1.89 -2.00 113.55 119.58 2gr6 h SER 32 Ca -0.48 0.16 -0.11 0.00 -0.84 0.00 0.00 61.79 60.52 2gr6 h SER 32 Cb 1.20 0.28 -0.07 0.00 0.14 0.00 0.00 62.40 63.95 2gr6 h SER 32 CO 0.65 -0.12 0.14 -3.20 -1.14 0.00 0.00 176.83 173.16 2gr6 n ASN 33 N -5.28 3.46 -0.17 3.07 5.15 -1.26 -4.55 115.26 115.68 2gr6 n ASN 33 Ca 0.11 -2.64 0.27 0.00 -0.60 0.00 0.00 54.58 51.72 2gr6 n ASN 33 Cb 0.40 -0.63 0.71 0.00 -0.53 0.00 0.00 39.78 39.73 2gr6 n ASN 33 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 2gr6 h LEU 34 N 1.65 0.03 -1.62 1.20 5.85 -1.61 0.16 115.31 120.96 2gr6 h LEU 34 Ca 0.14 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 2gr6 h LEU 34 Cb 1.58 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.60 2gr6 h LEU 34 CO 0.39 0.01 -0.18 0.77 -0.34 0.00 0.00 178.44 179.09 2gr6 h SER 35 N 0.03 0.00 0.89 1.25 4.64 -1.86 -1.82 113.55 116.67 2gr6 h SER 35 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 2gr6 h SER 35 Cb 1.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 2gr6 h SER 35 CO -0.02 0.18 0.00 0.00 -0.87 0.00 0.00 176.83 176.12 2gr6 n ALA 36 N -2.29 2.37 0.00 5.18 0.00 0.56 -4.99 120.51 121.34 2gr6 n ALA 36 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2gr6 n ALA 36 Cb 0.31 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.28 2gr6 n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gr6 n GLY 37 N 1.44 3.43 0.26 0.00 0.00 -0.69 -4.66 105.19 104.98 2gr6 n GLY 37 Ca 0.09 -1.68 -0.12 0.00 0.00 0.00 0.00 46.02 44.30 2gr6 n GLY 37 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2gr6 h VAL 38 N 0.00 0.50 -0.94 1.61 -1.51 -1.88 0.15 116.25 114.18 2gr6 h VAL 38 Ca 0.00 0.00 0.05 0.00 -1.23 0.00 0.00 66.70 65.52 2gr6 h VAL 38 Cb 0.00 0.50 -0.06 0.00 -2.13 0.00 0.00 31.29 29.60 2gr6 h VAL 38 CO 0.00 0.00 0.61 1.56 -1.23 0.00 0.00 177.57 178.51 2gr6 h GLN 39 N -0.40 1.10 -0.63 5.19 7.50 -1.92 0.70 115.11 126.64 2gr6 h GLN 39 Ca 0.03 -0.07 -0.08 0.00 0.50 0.00 0.00 58.65 59.04 2gr6 h GLN 39 Cb 0.44 -0.25 -0.02 0.00 0.05 0.00 0.00 27.48 27.69 2gr6 h GLN 39 CO -0.14 0.73 0.08 0.93 -1.50 0.00 0.00 178.83 178.92 2gr6 h GLU 40 N 1.13 1.06 -0.65 1.46 3.07 -1.70 0.11 114.58 119.07 2gr6 h GLU 40 Ca 0.39 -0.30 -0.02 0.00 -0.50 0.00 0.00 59.36 58.93 2gr6 h GLU 40 Cb 0.09 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 27.86 2gr6 h GLU 40 CO -0.13 1.00 0.32 0.00 -1.40 0.00 0.00 179.01 178.79 2gr6 h ALA 41 N 1.02 0.84 -0.02 3.43 0.00 0.81 -2.71 119.26 122.63 2gr6 h ALA 41 Ca 0.19 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 2gr6 h ALA 41 Cb 0.46 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2gr6 h ALA 41 CO 0.02 0.40 -0.69 -1.49 0.00 0.00 0.00 179.25 177.48 2gr6 h TRP 42 N 0.90 0.16 0.00 0.00 4.06 -0.72 -3.12 115.95 117.23 2gr6 h TRP 42 Ca 0.22 -0.07 0.00 0.00 2.06 0.00 0.00 58.89 61.10 2gr6 h TRP 42 Cb 0.11 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.24 2gr6 h TRP 42 CO 0.00 0.77 0.00 0.00 -3.56 0.00 0.00 178.44 175.65 2gr6 h ALA 43 N 1.21 1.00 0.00 1.49 0.00 -0.45 -1.77 119.26 120.74 2gr6 h ALA 43 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2gr6 h ALA 43 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2gr6 h ALA 43 CO 0.10 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.68 2gr6 n VAL 44 N -2.34 0.98 0.60 0.00 0.24 -1.15 -0.09 118.33 116.56 2gr6 n VAL 44 Ca 0.00 0.58 0.12 0.00 -2.04 0.00 0.00 64.34 63.01 2gr6 n VAL 44 Cb 0.13 -1.56 0.45 0.00 -1.47 0.00 0.00 33.84 31.39 2gr6 n VAL 44 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2gr6 n LEU 45 N -2.25 0.62 -1.00 1.34 4.77 -0.67 -3.01 117.00 116.80 2gr6 n LEU 45 Ca -0.00 0.59 0.03 0.00 -0.03 0.00 0.00 56.01 56.59 2gr6 n LEU 45 Cb 0.09 -0.43 0.23 0.00 -2.33 0.00 0.00 43.42 40.99 2gr6 n LEU 45 CO 0.13 -0.27 0.72 0.00 -1.33 0.00 0.00 177.39 176.63 2gr6 n GLN 46 N -2.11 2.45 -2.08 3.23 6.02 0.87 -4.76 117.38 121.00 2gr6 n GLN 46 Ca 0.05 -2.96 -0.32 0.00 -0.01 0.00 0.00 57.00 53.76 2gr6 n GLN 46 Cb 0.34 -1.83 -0.00 0.00 1.02 0.00 0.00 30.24 29.77 2gr6 n GLN 46 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2gr6 s GLU 47 N -3.00 3.61 0.12 -1.09 2.02 -1.16 -4.94 118.70 114.26 2gr6 s GLU 47 Ca 0.43 0.94 -0.09 0.00 0.02 0.00 0.00 54.97 56.27 2gr6 s GLU 47 Cb 0.37 -2.08 0.13 0.00 0.10 0.00 0.00 34.13 32.64 2gr6 s GLU 47 CO 0.05 -0.56 0.79 0.43 0.02 0.00 0.00 175.26 175.99 2gr6 n SER 48 N -2.20 -0.32 -1.96 -0.19 7.64 -1.26 -1.03 113.62 114.29 2gr6 n SER 48 Ca 0.07 0.88 -0.03 0.00 1.01 0.00 0.00 58.87 60.80 2gr6 n SER 48 Cb 0.54 -0.20 0.32 0.00 -1.01 0.00 0.00 64.21 63.85 2gr6 n SER 48 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2gr6 n ASN 49 N -4.75 4.95 -4.73 6.43 4.13 -1.26 -4.91 115.26 115.12 2gr6 n ASN 49 Ca 0.05 -3.12 -0.36 0.00 1.68 0.00 0.00 54.58 52.83 2gr6 n ASN 49 Cb 0.20 -0.73 -0.07 0.00 -1.54 0.00 0.00 39.78 37.64 2gr6 n ASN 49 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2gr6 s VAL 50 N -2.86 5.31 0.99 2.41 1.01 -0.20 -5.08 120.40 121.99 2gr6 s VAL 50 Ca 0.53 0.53 -0.12 0.00 0.00 0.00 0.00 61.98 62.92 2gr6 s VAL 50 Cb 0.42 -3.62 0.18 0.00 0.00 0.00 0.00 36.38 33.36 2gr6 s VAL 50 CO 0.14 0.39 1.10 -2.84 0.00 0.00 0.00 175.10 173.89 2gr6 s PRO 51 N 0.45 0.49 0.41 2.72 0.02 -1.26 -4.84 135.00 132.99 2gr6 s PRO 51 Ca 0.16 0.48 0.13 0.00 0.02 0.00 0.00 61.00 61.79 2gr6 s PRO 51 Cb -0.13 -1.75 0.87 0.00 0.02 0.00 0.00 34.50 33.51 2gr6 s PRO 51 CO 0.03 -2.68 1.92 -0.44 -0.33 0.00 0.00 177.00 175.50 2gr6 h ASP 52 N -1.86 0.04 -3.32 2.53 3.45 -1.94 -3.42 116.42 111.90 2gr6 h ASP 52 Ca -0.54 -0.01 -0.38 0.00 0.43 0.00 0.00 57.03 56.53 2gr6 h ASP 52 Cb 1.33 -0.01 -0.38 0.00 -0.56 0.00 0.00 39.33 39.71 2gr6 h ASP 52 CO 0.58 0.28 -0.75 -0.22 -1.57 0.00 0.00 179.24 177.57 2gr6 s LEU 53 N -8.51 0.37 0.40 1.55 2.96 -1.26 -1.10 118.68 113.08 2gr6 s LEU 53 Ca -0.04 0.03 0.06 0.00 -0.22 0.00 0.00 54.13 53.96 2gr6 s LEU 53 Cb 0.15 -0.22 -0.07 0.00 0.50 0.00 0.00 46.19 46.55 2gr6 s LEU 53 CO 0.71 -0.22 0.02 0.68 -1.32 0.00 0.00 176.35 176.23 2gr6 s VAL 54 N 1.99 1.76 -0.12 1.68 -7.23 -0.90 -4.94 120.40 112.64 2gr6 s VAL 54 Ca 0.03 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.22 2gr6 s VAL 54 Cb -0.12 -2.90 0.01 0.00 0.56 0.00 0.00 36.38 33.93 2gr6 s VAL 54 CO -0.04 0.00 -0.16 0.86 -0.31 0.00 0.00 175.10 175.46 2gr6 s TRP 55 N -2.85 2.07 -0.11 2.82 -0.11 0.11 -0.87 118.94 120.00 2gr6 s TRP 55 Ca 0.34 -1.00 -0.02 0.00 1.22 0.00 0.00 56.10 56.64 2gr6 s TRP 55 Cb 0.09 -1.48 -0.03 0.00 -1.50 0.00 0.00 33.47 30.55 2gr6 s TRP 55 CO 0.17 -0.51 -0.02 -0.08 -4.62 0.00 0.00 176.95 171.89 2gr6 s THR 56 N 1.01 4.15 -2.26 5.86 -1.32 -0.34 -0.23 115.64 122.50 2gr6 s THR 56 Ca -0.06 -0.30 0.26 0.00 -1.21 0.00 0.00 61.69 60.39 2gr6 s THR 56 Cb -0.15 -2.76 0.62 0.00 -1.51 0.00 0.00 72.50 68.70 2gr6 s THR 56 CO -0.02 0.57 1.82 0.54 -2.21 0.00 0.00 174.62 175.32 2gr6 n ARG 57 N 2.57 1.42 -2.10 7.08 1.74 -1.26 -1.30 116.66 124.82 2gr6 n ARG 57 Ca -0.18 -0.61 -0.32 0.00 -0.77 0.00 0.00 57.85 55.97 2gr6 n ARG 57 Cb 0.53 -1.44 -0.00 0.00 -1.02 0.00 0.00 32.46 30.53 2gr6 n ARG 57 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2gr6 n ASN 59 N -2.08 -2.55 0.00 0.00 5.03 -1.26 -1.05 115.26 113.34 2gr6 n ASN 59 Ca 0.07 -0.86 0.00 0.00 0.87 0.00 0.00 54.58 54.66 2gr6 n ASN 59 Cb 0.53 -3.65 0.00 0.00 -1.02 0.00 0.00 39.78 35.65 2gr6 n ASN 59 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2gr6 n GLY 60 N -1.68 2.98 0.01 7.41 0.00 -1.26 -4.56 105.19 108.09 2gr6 n GLY 60 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2gr6 n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gr6 n GLY 61 N -2.00 0.45 3.63 -0.02 0.00 -0.22 -4.83 105.19 102.20 2gr6 n GLY 61 Ca 0.00 -1.27 -0.06 0.00 0.00 0.00 0.00 46.02 44.69 2gr6 n GLY 61 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2gr6 s HIS 62 N -0.23 -0.23 0.57 1.61 -3.43 -0.42 -4.76 115.29 108.41 2gr6 s HIS 62 Ca 0.00 0.02 -0.08 0.00 -0.80 0.00 0.00 55.06 54.20 2gr6 s HIS 62 Cb 0.00 0.59 -0.03 0.00 -1.43 0.00 0.00 32.58 31.71 2gr6 s HIS 62 CO 0.00 -0.67 0.93 -1.58 -2.00 0.00 0.00 174.74 171.42 2gr6 s TRP 63 N -3.17 3.53 -0.14 0.38 0.52 -0.29 -1.20 118.94 118.56 2gr6 s TRP 63 Ca 0.09 1.00 -0.04 0.00 0.02 0.00 0.00 56.10 57.17 2gr6 s TRP 63 Cb -0.01 -2.60 0.07 0.00 -1.15 0.00 0.00 33.47 29.78 2gr6 s TRP 63 CO -0.03 -0.60 0.25 0.42 0.02 0.00 0.00 176.95 177.00 2gr6 s ILE 64 N -3.01 -0.39 -0.14 2.03 1.01 -0.04 -0.73 121.20 119.92 2gr6 s ILE 64 Ca 0.52 0.23 -0.27 0.00 0.00 0.00 0.00 60.65 61.13 2gr6 s ILE 64 Cb -0.11 -0.47 -0.01 0.00 0.01 0.00 0.00 42.46 41.88 2gr6 s ILE 64 CO 0.49 0.07 0.91 0.00 0.00 0.00 0.00 174.94 176.41 2gr6 s ALA 65 N 2.40 3.47 -0.68 9.38 0.00 -0.72 -2.12 121.76 133.49 2gr6 s ALA 65 Ca 0.03 0.18 0.22 0.00 0.00 0.00 0.00 51.96 52.39 2gr6 s ALA 65 Cb -0.13 -3.32 -0.20 0.00 0.00 0.00 0.00 23.12 19.48 2gr6 s ALA 65 CO -0.09 -0.63 0.82 0.25 0.00 0.00 0.00 175.76 176.11 2gr6 n THR 66 N 4.64 0.02 -4.32 0.00 -2.24 -0.26 -4.34 114.28 107.79 2gr6 n THR 66 Ca 0.06 -0.17 -0.26 0.00 -2.27 0.00 0.00 64.05 61.42 2gr6 n THR 66 Cb 0.49 0.59 -0.09 0.00 -2.10 0.00 0.00 70.33 69.22 2gr6 n THR 66 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2gr6 s ARG 67 N -3.17 2.02 0.14 -0.78 1.81 -1.25 -4.78 118.95 112.94 2gr6 s ARG 67 Ca 0.03 -1.39 -0.22 0.00 -1.72 0.00 0.00 55.73 52.43 2gr6 s ARG 67 Cb 0.15 -2.09 -0.00 0.00 -0.45 0.00 0.00 34.95 32.57 2gr6 s ARG 67 CO 0.87 0.40 1.65 0.78 -0.68 0.00 0.00 175.30 178.32 2gr6 h GLY 68 N 2.61 -0.10 2.00 -3.53 0.00 -1.83 -2.06 103.07 100.16 2gr6 h GLY 68 Ca -0.45 0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 2gr6 h GLY 68 CO 0.56 -0.17 -0.16 0.06 0.00 0.00 0.00 176.54 176.82 2gr6 h GLN 69 N -0.21 0.00 -0.02 4.80 3.07 -1.96 0.69 115.11 121.48 2gr6 h GLN 69 Ca 0.11 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.66 2gr6 h GLN 69 Cb 0.38 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.95 2gr6 h GLN 69 CO -0.29 0.16 -0.73 -0.07 0.09 0.00 0.00 178.83 177.99 2gr6 h LEU 70 N 0.00 0.67 -0.36 0.06 4.07 -1.90 -1.17 115.31 116.67 2gr6 h LEU 70 Ca -0.00 -0.74 -0.01 0.00 0.08 0.00 0.00 57.88 57.21 2gr6 h LEU 70 Cb 0.53 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.05 2gr6 h LEU 70 CO 0.02 1.32 0.19 0.40 -1.08 0.00 0.00 178.44 179.29 2gr6 h ILE 71 N 0.09 1.15 -0.40 1.22 2.04 -1.03 -0.19 117.51 120.39 2gr6 h ILE 71 Ca -0.09 -0.40 -0.08 0.00 1.00 0.00 0.00 64.86 65.29 2gr6 h ILE 71 Cb 1.41 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 2gr6 h ILE 71 CO 0.14 0.16 -0.06 0.03 0.00 0.00 0.00 178.15 178.42 2gr6 h ARG 72 N 0.45 0.75 -0.48 2.37 3.08 -0.93 -2.39 114.38 117.25 2gr6 h ARG 72 Ca 0.13 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 2gr6 h ARG 72 Cb 0.08 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 2gr6 h ARG 72 CO -0.02 0.87 0.17 1.49 -1.07 0.00 0.00 179.97 181.41 2gr6 h GLU 73 N 0.57 0.72 -0.60 0.04 4.81 -1.05 -2.22 114.58 116.85 2gr6 h GLU 73 Ca 0.11 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 2gr6 h GLU 73 Cb 0.57 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 2gr6 h GLU 73 CO 0.03 0.66 0.19 0.00 -0.73 0.00 0.00 179.01 179.17 2gr6 h ALA 74 N 1.02 1.21 0.00 2.92 0.00 -0.96 -1.95 119.26 121.50 2gr6 h ALA 74 Ca 0.16 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2gr6 h ALA 74 Cb 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2gr6 h ALA 74 CO -0.01 0.56 -0.30 1.88 0.00 0.00 0.00 179.25 181.38 2gr6 h TYR 75 N 0.88 0.00 0.00 0.00 0.05 -1.20 -2.87 116.97 113.83 2gr6 h TYR 75 Ca 0.20 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.79 2gr6 h TYR 75 Cb 0.25 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.96 2gr6 h TYR 75 CO 0.02 0.30 -0.92 0.93 -1.05 0.00 0.00 178.16 177.43 2gr6 h GLU 76 N 0.00 0.00 -3.89 4.88 5.08 -0.86 -3.40 114.58 116.40 2gr6 h GLU 76 Ca -0.00 0.00 -0.77 0.00 -1.00 0.00 0.00 59.36 57.58 2gr6 h GLU 76 Cb 0.72 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.74 2gr6 h GLU 76 CO 0.04 0.88 1.00 -3.47 -1.00 0.00 0.00 179.01 176.47 2gr6 n ASP 77 N -3.31 5.49 0.25 1.42 2.03 -0.78 -4.82 116.55 116.82 2gr6 n ASP 77 Ca -0.00 -3.08 0.17 0.00 0.52 0.00 0.00 54.79 52.40 2gr6 n ASP 77 Cb 0.90 -1.44 0.72 0.00 -0.72 0.00 0.00 41.12 40.57 2gr6 n ASP 77 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 2gr6 h TYR 78 N 6.54 0.00 0.00 -0.67 -0.00 -1.76 -1.76 116.97 119.33 2gr6 h TYR 78 Ca 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.89 2gr6 h TYR 78 Cb 0.81 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.52 2gr6 h TYR 78 CO 0.97 0.00 -0.46 0.00 -0.00 0.00 0.00 178.16 178.67 2gr6 h ARG 79 N 0.00 0.00 0.00 0.10 3.08 -1.94 -3.29 114.38 112.33 2gr6 h ARG 79 Ca 0.00 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.68 2gr6 h ARG 79 Cb 0.39 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.37 2gr6 h ARG 79 CO 0.00 0.46 -2.39 0.72 -1.07 0.00 0.00 179.97 177.69 2gr6 n HIS 80 N -3.87 0.00 -3.72 3.04 8.25 -1.12 -4.61 115.22 113.20 2gr6 n HIS 80 Ca -0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.08 2gr6 n HIS 80 Cb 0.50 -0.96 -0.10 0.00 1.12 0.00 0.00 29.99 30.55 2gr6 n HIS 80 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2gr6 s PHE 81 N -2.49 3.41 0.38 4.41 0.08 -0.68 -1.59 117.98 121.51 2gr6 s PHE 81 Ca -0.23 -2.72 -0.21 0.00 0.12 0.00 0.00 56.93 53.89 2gr6 s PHE 81 Cb 0.07 -3.20 -0.10 0.00 -0.57 0.00 0.00 43.02 39.22 2gr6 s PHE 81 CO 0.67 -0.84 0.90 0.45 -0.10 0.00 0.00 175.22 176.30 2gr6 s SER 82 N 0.68 7.01 0.00 1.36 0.15 -0.27 -4.33 113.70 118.31 2gr6 s SER 82 Ca 0.17 1.65 0.23 0.00 0.70 0.00 0.00 55.95 58.70 2gr6 s SER 82 Cb -0.20 -2.52 0.89 0.00 -1.71 0.00 0.00 66.02 62.48 2gr6 s SER 82 CO -0.03 -0.25 1.63 -1.20 1.20 0.00 0.00 173.24 174.59 2gr6 n SER 83 N -0.25 1.46 -0.22 5.45 7.64 -1.26 -1.10 113.62 125.34 2gr6 n SER 83 Ca 0.05 -1.61 0.03 0.00 1.01 0.00 0.00 58.87 58.35 2gr6 n SER 83 Cb 0.53 -0.07 0.14 0.00 -1.01 0.00 0.00 64.21 63.80 2gr6 n SER 83 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2gr6 h GLU 84 N 2.05 0.23 -2.84 1.43 4.22 -1.89 -3.15 114.58 114.64 2gr6 h GLU 84 Ca 0.00 -0.01 -0.61 0.00 0.08 0.00 0.00 59.36 58.82 2gr6 h GLU 84 Cb 0.44 -0.05 -0.41 0.00 0.50 0.00 0.00 28.75 29.24 2gr6 h GLU 84 CO 0.00 0.16 -0.71 0.00 -2.18 0.00 0.00 179.01 176.27 2gr6 n PRO 86 N 2.29 0.36 -4.11 0.00 -0.04 -1.19 -3.74 135.00 128.56 2gr6 n PRO 86 Ca 0.23 -0.20 -0.29 0.00 -0.04 0.00 0.00 63.50 63.20 2gr6 n PRO 86 Cb 0.39 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.29 2gr6 n PRO 86 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2gr6 s TRP 87 N -2.78 3.04 -0.02 0.54 0.23 -1.26 -1.19 118.94 117.50 2gr6 s TRP 87 Ca 0.17 -0.02 0.06 0.00 -2.03 0.00 0.00 56.10 54.28 2gr6 s TRP 87 Cb 0.18 -1.53 -0.02 0.00 0.03 0.00 0.00 33.47 32.14 2gr6 s TRP 87 CO 0.62 0.50 -0.21 0.42 0.96 0.00 0.00 176.95 179.24 2gr6 s ILE 88 N -1.47 1.66 1.09 2.03 1.01 -1.26 -3.23 121.20 121.03 2gr6 s ILE 88 Ca 0.28 -0.89 -0.13 0.00 0.00 0.00 0.00 60.65 59.91 2gr6 s ILE 88 Cb -0.11 -1.38 0.24 0.00 0.01 0.00 0.00 42.46 41.21 2gr6 s ILE 88 CO 0.20 0.47 1.06 -2.16 0.00 0.00 0.00 174.94 174.51 2gr6 s PRO 89 N -0.45 -0.29 0.21 2.79 0.04 -1.26 -4.87 135.00 131.17 2gr6 s PRO 89 Ca 0.07 0.66 -0.11 0.00 0.04 0.00 0.00 61.00 61.66 2gr6 s PRO 89 Cb -0.09 -1.64 0.28 0.00 0.04 0.00 0.00 34.50 33.09 2gr6 s PRO 89 CO -0.00 -3.25 1.69 -0.09 0.04 0.00 0.00 177.00 175.38 2gr6 h ARG 90 N -2.28 0.18 0.00 4.56 2.43 -1.80 -1.46 114.38 116.01 2gr6 h ARG 90 Ca -0.58 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.56 2gr6 h ARG 90 Cb 1.33 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.84 2gr6 h ARG 90 CO 0.54 0.12 -0.06 1.05 -1.51 0.00 0.00 179.97 180.11 2gr6 h GLU 91 N 0.19 0.00 0.19 0.20 4.11 -1.97 0.35 114.58 117.64 2gr6 h GLU 91 Ca 0.31 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.42 2gr6 h GLU 91 Cb 0.47 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.75 2gr6 h GLU 91 CO -0.44 0.06 -1.36 0.00 0.07 0.00 0.00 179.01 177.34 2gr6 h ALA 92 N 1.94 -0.06 0.00 1.06 0.00 -1.60 -2.75 119.26 117.85 2gr6 h ALA 92 Ca -0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 54.91 54.06 2gr6 h ALA 92 Cb 0.26 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2gr6 h ALA 92 CO 0.01 0.74 -0.10 0.78 0.00 0.00 0.00 179.25 180.68 2gr6 h GLY 93 N 0.46 0.00 1.57 0.00 0.00 -0.50 -0.05 103.07 104.55 2gr6 h GLY 93 Ca -0.21 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.85 2gr6 h GLY 93 CO 0.25 0.00 -1.29 0.83 0.00 0.00 0.00 176.54 176.33 2gr6 h GLU 94 N 0.00 0.13 0.00 4.80 5.08 -0.96 -3.29 114.58 120.35 2gr6 h GLU 94 Ca -0.00 -0.22 -0.16 0.00 -1.00 0.00 0.00 59.36 57.97 2gr6 h GLU 94 Cb 0.53 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2gr6 h GLU 94 CO 0.01 1.02 -0.77 0.00 -1.00 0.00 0.00 179.01 178.27 2gr6 h ALA 95 N 0.76 0.57 -1.52 3.43 0.00 -1.16 -3.44 119.26 117.90 2gr6 h ALA 95 Ca -0.14 -0.70 -0.57 0.00 0.00 0.00 0.00 54.91 53.50 2gr6 h ALA 95 Cb 1.92 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 2gr6 h ALA 95 CO 0.15 0.97 1.54 0.34 0.00 0.00 0.00 179.25 182.24 2gr6 n PHE 96 N -3.40 1.62 -1.63 0.00 7.35 -0.06 -4.80 117.46 116.54 2gr6 n PHE 96 Ca 0.00 0.08 0.05 0.00 -0.76 0.00 0.00 57.45 56.82 2gr6 n PHE 96 Cb 0.81 -2.63 0.07 0.00 0.35 0.00 0.00 39.48 38.08 2gr6 n PHE 96 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 2gr6 n ASP 97 N 12.45 1.17 -4.69 -2.13 3.85 -1.26 -4.89 116.55 121.05 2gr6 n ASP 97 Ca 0.37 -2.59 -0.36 0.00 -0.71 0.00 0.00 54.79 51.50 2gr6 n ASP 97 Cb 0.40 -0.33 0.08 0.00 -1.35 0.00 0.00 41.12 39.92 2gr6 n ASP 97 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 2gr6 n PHE 98 N -0.63 1.48 -5.12 2.11 3.72 -1.26 -4.83 117.46 112.94 2gr6 n PHE 98 Ca 0.08 0.42 -0.32 0.00 -0.05 0.00 0.00 57.45 57.58 2gr6 n PHE 98 Cb 0.71 -2.20 -0.15 0.00 -0.94 0.00 0.00 39.48 36.91 2gr6 n PHE 98 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2gr6 s ILE 99 N -1.58 2.46 -2.46 4.37 1.01 0.13 -1.39 121.20 123.74 2gr6 s ILE 99 Ca 0.79 -0.94 0.23 0.00 0.00 0.00 0.00 60.65 60.74 2gr6 s ILE 99 Cb -0.37 -1.92 0.44 0.00 0.01 0.00 0.00 42.46 40.63 2gr6 s ILE 99 CO 0.44 0.57 1.54 -0.81 0.00 0.00 0.00 174.94 176.69 2gr6 n PRO 100 N 2.68 1.92 -0.36 2.79 -0.04 -1.26 -3.89 135.00 136.83 2gr6 n PRO 100 Ca -0.17 -1.36 0.27 0.00 -0.04 0.00 0.00 63.50 62.19 2gr6 n PRO 100 Cb 0.52 -1.44 0.53 0.00 -0.04 0.00 0.00 33.50 33.07 2gr6 n PRO 100 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2gr6 h THR 101 N 2.93 0.37 -0.52 0.52 2.02 -1.93 -1.16 112.91 115.14 2gr6 h THR 101 Ca 0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2gr6 h THR 101 Cb 0.64 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2gr6 h THR 101 CO 0.00 0.06 0.00 -1.54 0.37 0.00 0.00 175.52 174.41 2gr6 n SER 102 N -4.74 5.22 -4.39 4.18 3.41 -0.49 -4.84 113.62 111.98 2gr6 n SER 102 Ca 0.30 -2.81 -0.30 0.00 -0.26 0.00 0.00 58.87 55.80 2gr6 n SER 102 Cb 1.04 -0.66 -0.13 0.00 -0.26 0.00 0.00 64.21 64.19 2gr6 n SER 102 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2gr6 s MET 103 N -2.54 1.62 0.21 4.33 -1.94 -0.44 -3.75 119.30 116.79 2gr6 s MET 103 Ca 0.49 -1.23 0.06 0.00 -1.71 0.00 0.00 55.69 53.30 2gr6 s MET 103 Cb 0.37 -1.97 -0.04 0.00 2.01 0.00 0.00 34.83 35.21 2gr6 s MET 103 CO 0.15 0.48 0.19 -0.51 -0.01 0.00 0.00 175.02 175.32 2gr6 s ASP 104 N -1.73 5.62 0.77 3.03 1.01 -1.26 -4.73 116.67 119.38 2gr6 s ASP 104 Ca 0.14 -0.15 -0.14 0.00 0.71 0.00 0.00 52.55 53.11 2gr6 s ASP 104 Cb -0.10 -1.48 0.06 0.00 1.01 0.00 0.00 42.92 42.41 2gr6 s ASP 104 CO 0.05 0.01 1.19 -2.84 0.21 0.00 0.00 175.17 173.79 2gr6 s PRO 105 N -3.50 1.89 0.21 8.23 0.02 -1.26 -2.26 135.00 138.33 2gr6 s PRO 105 Ca 0.32 1.69 0.20 0.00 0.02 0.00 0.00 61.00 63.23 2gr6 s PRO 105 Cb -0.09 -1.81 0.02 0.00 0.02 0.00 0.00 34.50 32.64 2gr6 s PRO 105 CO 0.25 -2.01 1.12 -1.00 -0.33 0.00 0.00 177.00 175.03 2gr6 h PRO 106 N -0.69 0.00 -0.26 5.54 0.13 -2.02 -3.45 132.00 131.25 2gr6 h PRO 106 Ca -0.46 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.74 2gr6 h PRO 106 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2gr6 h PRO 106 CO 0.48 0.15 0.22 0.93 -0.23 0.00 0.00 178.00 179.55 2gr6 h GLU 107 N 0.00 0.00 -0.77 0.86 3.07 -1.96 -2.40 114.58 113.38 2gr6 h GLU 107 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2gr6 h GLU 107 Cb 1.22 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.10 2gr6 h GLU 107 CO 0.02 0.00 0.50 0.37 -1.40 0.00 0.00 179.01 178.50 2gr6 h GLN 108 N 0.00 1.02 -0.52 2.33 4.15 -1.74 -3.30 115.11 117.06 2gr6 h GLN 108 Ca 0.12 -0.07 0.10 0.00 0.77 0.00 0.00 58.65 59.57 2gr6 h GLN 108 Cb 0.56 -0.23 -0.11 0.00 0.21 0.00 0.00 27.48 27.92 2gr6 h GLN 108 CO -0.00 0.69 -0.25 0.00 -1.93 0.00 0.00 178.83 177.34 2gr6 h ARG 109 N 1.05 -0.12 -0.58 1.69 -0.00 -1.73 -0.33 114.38 114.37 2gr6 h ARG 109 Ca 0.28 0.01 0.11 0.00 -0.50 0.00 0.00 59.98 59.88 2gr6 h ARG 109 Cb -0.09 0.03 -0.03 0.00 0.00 0.00 0.00 29.97 29.87 2gr6 h ARG 109 CO -0.06 -0.08 0.39 -0.56 0.00 0.00 0.00 179.97 179.66 2gr6 h GLN 110 N -0.13 0.28 0.11 0.04 3.07 -1.76 -0.80 115.11 115.93 2gr6 h GLN 110 Ca 0.23 -0.02 -0.30 0.00 0.09 0.00 0.00 58.65 58.66 2gr6 h GLN 110 Cb 0.50 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 27.99 2gr6 h GLN 110 CO -0.60 0.19 -1.46 0.74 0.09 0.00 0.00 178.83 177.79 2gr6 h PHE 111 N 0.29 0.44 -0.54 0.06 -1.00 -1.47 -3.27 116.94 111.44 2gr6 h PHE 111 Ca 0.27 -0.32 -0.06 0.00 2.81 0.00 0.00 57.97 60.68 2gr6 h PHE 111 Cb 0.67 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 40.19 2gr6 h PHE 111 CO -0.00 1.34 0.11 -0.09 -1.61 0.00 0.00 178.31 178.06 2gr6 h ARG 112 N 0.07 0.85 -0.40 1.51 2.43 -0.18 -1.90 114.38 116.76 2gr6 h ARG 112 Ca -0.22 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 58.76 2gr6 h ARG 112 Cb 2.00 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 31.41 2gr6 h ARG 112 CO 0.17 0.78 0.21 0.00 -1.51 0.00 0.00 179.97 179.62 2gr6 h ALA 113 N 1.31 0.52 -0.50 2.80 0.00 -1.29 0.90 119.26 123.00 2gr6 h ALA 113 Ca 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2gr6 h ALA 113 Cb 0.33 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2gr6 h ALA 113 CO 0.00 0.05 0.26 1.25 0.00 0.00 0.00 179.25 180.82 2gr6 h LEU 114 N 0.52 0.63 -0.79 0.00 5.85 -1.53 -2.04 115.31 117.95 2gr6 h LEU 114 Ca 0.14 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 2gr6 h LEU 114 Cb 0.07 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 2gr6 h LEU 114 CO -0.02 0.56 0.32 0.00 -0.34 0.00 0.00 178.44 178.95 2gr6 h ALA 115 N 1.10 1.03 0.00 1.25 0.00 -1.06 -2.13 119.26 119.45 2gr6 h ALA 115 Ca 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2gr6 h ALA 115 Cb 0.07 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2gr6 h ALA 115 CO -0.03 0.65 -0.06 -0.97 0.00 0.00 0.00 179.25 178.85 2gr6 h ASN 116 N 1.15 0.00 0.65 0.00 -1.24 -0.37 -1.63 115.58 114.14 2gr6 h ASN 116 Ca 0.26 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 57.19 2gr6 h ASN 116 Cb 0.21 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.25 2gr6 h ASN 116 CO -0.02 0.06 -0.39 1.56 -1.29 0.00 0.00 177.43 177.35 2gr6 h GLN 117 N 0.00 0.00 0.00 6.67 4.20 -0.68 -1.16 115.11 124.13 2gr6 h GLN 117 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2gr6 h GLN 117 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 2gr6 h GLN 117 CO 0.01 0.39 -1.36 1.33 -0.67 0.00 0.00 178.83 178.53 2gr6 n VAL 118 N -3.71 0.38 -0.31 -0.54 0.24 -0.62 -4.42 118.33 109.34 2gr6 n VAL 118 Ca -0.01 -0.51 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 2gr6 n VAL 118 Cb 0.48 -0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 2gr6 n VAL 118 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 2gr6 n VAL 119 N -2.49 0.57 -0.79 3.34 0.24 -1.15 -4.83 118.33 113.22 2gr6 n VAL 119 Ca -0.01 -0.63 -0.24 0.00 -2.04 0.00 0.00 64.34 61.42 2gr6 n VAL 119 Cb 0.55 0.77 0.21 0.00 -1.47 0.00 0.00 33.84 33.90 2gr6 n VAL 119 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2gr6 n GLY 120 N -0.29 -2.94 0.32 7.63 0.00 -0.44 -4.63 105.19 104.84 2gr6 n GLY 120 Ca 0.00 -1.45 -0.10 0.00 0.00 0.00 0.00 46.02 44.47 2gr6 n GLY 120 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2gr6 h MET 121 N 0.00 -0.36 -0.66 1.61 1.85 -1.89 -0.83 114.93 114.65 2gr6 h MET 121 Ca -0.33 0.02 0.14 0.00 -0.61 0.00 0.00 59.70 58.93 2gr6 h MET 121 Cb 1.01 0.08 -0.11 0.00 0.43 0.00 0.00 31.60 33.02 2gr6 h MET 121 CO 0.21 -0.24 0.03 -1.35 -0.40 0.00 0.00 176.91 175.15 2gr6 h PRO 122 N -0.38 0.13 -0.69 0.39 0.11 -1.94 0.30 132.00 129.93 2gr6 h PRO 122 Ca 0.10 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.23 2gr6 h PRO 122 Cb 0.52 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.56 2gr6 h PRO 122 CO -0.33 0.09 0.43 0.28 -0.21 0.00 0.00 178.00 178.25 2gr6 h VAL 123 N 0.14 1.09 -0.69 3.15 2.07 -1.71 -2.30 116.25 118.01 2gr6 h VAL 123 Ca 0.35 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.59 2gr6 h VAL 123 Cb 0.58 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 2gr6 h VAL 123 CO -0.55 0.15 0.45 0.58 0.02 0.00 0.00 177.57 178.22 2gr6 h VAL 124 N 0.84 1.16 -0.97 2.57 2.07 0.90 -1.86 116.25 120.97 2gr6 h VAL 124 Ca 0.28 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.51 2gr6 h VAL 124 Cb 0.02 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 29.90 2gr6 h VAL 124 CO -0.11 0.17 0.64 0.44 0.02 0.00 0.00 177.57 178.73 2gr6 h ASP 125 N 0.92 1.08 -0.06 0.57 3.32 -0.35 -0.91 116.42 120.99 2gr6 h ASP 125 Ca 0.25 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 2gr6 h ASP 125 Cb -0.09 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.20 2gr6 h ASP 125 CO -0.06 0.76 0.03 0.11 -1.72 0.00 0.00 179.24 178.35 2gr6 h LYS 126 N 1.26 0.08 0.00 3.56 1.79 -1.11 -2.88 116.57 119.28 2gr6 h LYS 126 Ca 0.38 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 2gr6 h LYS 126 Cb -0.06 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.58 2gr6 h LYS 126 CO -0.11 0.16 0.00 1.28 -1.08 0.00 0.00 179.45 179.70 2gr6 n LEU 127 N -4.99 0.36 0.07 2.94 4.77 -0.74 -4.15 117.00 115.25 2gr6 n LEU 127 Ca -0.06 0.61 -0.13 0.00 -0.03 0.00 0.00 56.01 56.40 2gr6 n LEU 127 Cb 0.08 -0.58 -0.06 0.00 -2.33 0.00 0.00 43.42 40.52 2gr6 n LEU 127 CO 0.34 -0.52 0.61 -0.08 -1.33 0.00 0.00 177.39 176.41 2gr6 h GLU 128 N 0.00 -0.53 -0.53 3.23 4.81 -0.96 -0.51 114.58 120.09 2gr6 h GLU 128 Ca 0.00 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.33 2gr6 h GLU 128 Cb 0.22 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 2gr6 h GLU 128 CO 0.00 -0.35 0.35 -0.91 -0.73 0.00 0.00 179.01 177.37 2gr6 h ASN 129 N -0.55 0.39 0.70 1.04 -0.26 -1.81 0.17 115.58 115.27 2gr6 h ASN 129 Ca 0.05 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.67 2gr6 h ASN 129 Cb 0.62 -0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 37.78 2gr6 h ASN 129 CO -0.28 0.25 -0.57 0.03 -1.06 0.00 0.00 177.43 175.81 2gr6 h ARG 130 N 0.45 0.00 -0.38 0.81 3.08 -1.67 -2.10 114.38 114.56 2gr6 h ARG 130 Ca 0.23 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.13 2gr6 h ARG 130 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2gr6 h ARG 130 CO -0.06 0.57 -0.36 0.82 -1.07 0.00 0.00 179.97 179.86 2gr6 h ILE 131 N 0.00 1.27 -0.35 2.04 2.04 0.90 -2.77 117.51 120.64 2gr6 h ILE 131 Ca -0.01 -1.54 -0.17 0.00 1.00 0.00 0.00 64.86 64.15 2gr6 h ILE 131 Cb 1.07 1.40 -0.00 0.00 -0.74 0.00 0.00 36.82 38.55 2gr6 h ILE 131 CO 0.07 0.51 -0.44 -0.61 0.00 0.00 0.00 178.15 177.68 2gr6 h GLN 132 N 0.72 0.91 0.43 2.37 4.15 -1.00 -2.19 115.11 120.51 2gr6 h GLN 132 Ca 0.06 -0.51 -0.01 0.00 0.77 0.00 0.00 58.65 58.95 2gr6 h GLN 132 Cb 0.96 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.67 2gr6 h GLN 132 CO 0.09 1.16 -0.31 0.93 -1.93 0.00 0.00 178.83 178.78 2gr6 h GLU 133 N 0.73 -0.70 -0.97 1.69 5.08 -1.38 -0.54 114.58 118.49 2gr6 h GLU 133 Ca 0.04 0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.53 2gr6 h GLU 133 Cb 1.04 0.16 -0.07 0.00 0.50 0.00 0.00 28.75 30.38 2gr6 h GLU 133 CO 0.10 -0.46 0.62 1.25 -1.00 0.00 0.00 179.01 179.52 2gr6 h LEU 134 N -0.72 0.97 0.39 1.33 5.85 -1.53 0.75 115.31 122.35 2gr6 h LEU 134 Ca -0.04 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2gr6 h LEU 134 Cb 0.62 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2gr6 h LEU 134 CO 0.01 0.60 -0.19 0.00 -0.34 0.00 0.00 178.44 178.52 2gr6 h ALA 135 N 1.46 -0.53 -0.13 1.25 0.00 -1.09 0.67 119.26 120.89 2gr6 h ALA 135 Ca 0.44 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 2gr6 h ALA 135 Cb 0.24 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2gr6 h ALA 135 CO -0.19 -0.78 0.02 0.00 0.00 0.00 0.00 179.25 178.29 2gr6 h SER 137 N -0.01 -0.28 -0.31 0.00 0.87 0.51 0.32 113.55 114.65 2gr6 h SER 137 Ca 0.04 0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.69 2gr6 h SER 137 Cb 0.31 0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 2gr6 h SER 137 CO 0.00 -0.10 0.07 0.25 -0.53 0.00 0.00 176.83 176.52 2gr6 h LEU 138 N 0.08 0.48 -0.19 2.23 5.85 -0.67 -2.92 115.31 120.17 2gr6 h LEU 138 Ca 0.24 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 2gr6 h LEU 138 Cb 0.36 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 2gr6 h LEU 138 CO -0.43 0.60 -0.17 0.40 -0.34 0.00 0.00 178.44 178.50 2gr6 h ILE 139 N 0.34 1.33 -0.65 4.05 2.04 -0.33 -3.02 117.51 121.27 2gr6 h ILE 139 Ca 0.10 -1.31 0.04 0.00 1.00 0.00 0.00 64.86 64.68 2gr6 h ILE 139 Cb 0.31 1.76 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 2gr6 h ILE 139 CO 0.00 0.40 0.43 -0.08 0.00 0.00 0.00 178.15 178.90 2gr6 h GLU 140 N 0.12 0.75 0.00 2.37 4.57 -0.44 0.19 114.58 122.14 2gr6 h GLU 140 Ca 0.03 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.09 2gr6 h GLU 140 Cb 0.70 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 2gr6 h GLU 140 CO 0.04 0.49 -0.39 0.77 -1.18 0.00 0.00 179.01 178.75 2gr6 h SER 141 N 0.77 0.00 0.68 1.04 0.02 -1.47 -2.99 113.55 111.59 2gr6 h SER 141 Ca 0.26 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.95 2gr6 h SER 141 Cb 0.09 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.59 2gr6 h SER 141 CO -0.07 0.39 -1.42 -0.07 -1.14 0.00 0.00 176.83 174.51 2gr6 h LEU 142 N 0.00 0.05 -0.94 5.07 3.38 -1.08 -3.41 115.31 118.38 2gr6 h LEU 142 Ca -0.00 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.00 2gr6 h LEU 142 Cb 0.74 -0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.34 2gr6 h LEU 142 CO 0.05 1.06 -0.47 -1.14 0.09 0.00 0.00 178.44 178.03 2gr6 n ARG 143 N -3.21 -0.33 0.25 1.13 0.63 0.55 -1.49 116.66 114.19 2gr6 n ARG 143 Ca -0.11 1.43 0.13 0.00 -0.92 0.00 0.00 57.85 58.39 2gr6 n ARG 143 Cb 1.01 -2.11 0.63 0.00 0.45 0.00 0.00 32.46 32.43 2gr6 n ARG 143 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 2gr6 h PRO 144 N 0.00 0.00 0.00 -0.14 0.13 -1.79 -3.22 132.00 126.98 2gr6 h PRO 144 Ca 0.23 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.33 2gr6 h PRO 144 Cb 0.46 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.59 2gr6 h PRO 144 CO -0.91 0.13 -0.14 1.96 -0.23 0.00 0.00 178.00 178.82 2gr6 h GLN 145 N 0.00 0.00 -0.14 0.86 4.20 -1.52 -3.44 115.11 115.07 2gr6 h GLN 145 Ca -0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 2gr6 h GLN 145 Cb 0.54 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 2gr6 h GLN 145 CO 0.02 0.14 -0.05 0.41 -0.67 0.00 0.00 178.83 178.67 2gr6 n GLY 146 N -0.63 0.54 3.63 3.46 0.00 -1.22 -4.95 105.19 106.02 2gr6 n GLY 146 Ca -0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 2gr6 n GLY 146 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2gr6 s GLN 147 N -1.47 0.63 -0.12 1.61 -2.07 -1.26 -0.72 119.66 116.26 2gr6 s GLN 147 Ca 0.00 -0.31 -0.34 0.00 -1.82 0.00 0.00 55.36 52.89 2gr6 s GLN 147 Cb 0.00 0.24 0.14 0.00 -1.09 0.00 0.00 33.01 32.31 2gr6 s GLN 147 CO 0.00 -0.29 1.39 0.00 -1.32 0.00 0.00 175.29 175.07 2gr6 s ASN 149 N -2.76 5.71 0.30 0.00 -0.87 -1.26 -1.23 114.94 114.83 2gr6 s ASN 149 Ca 0.14 -3.07 0.07 0.00 -1.57 0.00 0.00 52.86 48.42 2gr6 s ASN 149 Cb 0.05 -1.93 0.84 0.00 -0.02 0.00 0.00 41.25 40.19 2gr6 s ASN 149 CO -0.05 -0.35 1.43 0.33 -2.57 0.00 0.00 177.10 175.88 2gr6 n PHE 150 N 3.24 0.71 0.18 2.20 7.35 -0.12 -0.73 117.46 130.29 2gr6 n PHE 150 Ca 0.13 1.09 -0.14 0.00 -0.76 0.00 0.00 57.45 57.77 2gr6 n PHE 150 Cb 0.39 -1.27 -0.07 0.00 0.35 0.00 0.00 39.48 38.89 2gr6 n PHE 150 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 2gr6 h THR 151 N 0.00 0.56 0.00 -2.13 1.35 -1.94 -0.58 112.91 110.17 2gr6 h THR 151 Ca 0.61 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.47 2gr6 h THR 151 Cb 1.39 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 2gr6 h THR 151 CO -0.81 0.00 -0.52 1.05 -0.25 0.00 0.00 175.52 174.98 2gr6 h GLU 152 N -0.48 0.00 0.00 4.72 4.11 -1.71 -1.79 114.58 119.43 2gr6 h GLU 152 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 2gr6 h GLU 152 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2gr6 h GLU 152 CO -0.01 0.00 -0.85 -0.25 0.07 0.00 0.00 179.01 177.98 2gr6 n ASP 153 N -2.39 0.71 0.09 3.06 8.00 0.09 -4.59 116.55 121.52 2gr6 n ASP 153 Ca 0.03 -0.52 0.00 0.00 0.71 0.00 0.00 54.79 55.01 2gr6 n ASP 153 Cb 0.47 0.70 0.00 0.00 -0.02 0.00 0.00 41.12 42.28 2gr6 n ASP 153 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gr6 n TYR 154 N -1.63 -2.42 -0.33 1.24 9.36 -0.34 -4.87 117.16 118.17 2gr6 n TYR 154 Ca 0.04 0.51 0.21 0.00 3.32 0.00 0.00 57.90 61.98 2gr6 n TYR 154 Cb 0.36 1.39 0.40 0.00 -0.63 0.00 0.00 39.34 40.86 2gr6 n TYR 154 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2gr6 n ALA 155 N -2.97 0.69 -0.04 2.98 0.00 -0.53 -1.37 120.51 119.28 2gr6 n ALA 155 Ca 0.00 1.05 -0.00 0.00 0.00 0.00 0.00 53.44 54.48 2gr6 n ALA 155 Cb 0.00 -0.86 -0.00 0.00 0.00 0.00 0.00 19.45 18.59 2gr6 n ALA 155 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2gr6 h GLU 156 N 0.00 0.00 -0.83 0.00 5.08 -1.55 -3.36 114.58 113.92 2gr6 h GLU 156 Ca 0.69 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 59.12 2gr6 h GLU 156 Cb 1.60 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.80 2gr6 h GLU 156 CO -0.87 0.00 0.54 -1.00 -1.00 0.00 0.00 179.01 176.68 2gr6 h PRO 157 N -0.70 0.85 0.67 2.33 0.13 -1.77 -1.40 132.00 132.11 2gr6 h PRO 157 Ca 0.00 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 2gr6 h PRO 157 Cb 0.05 -0.19 0.01 0.00 0.13 0.00 0.00 31.00 30.99 2gr6 h PRO 157 CO 0.00 0.56 -0.32 0.35 -0.23 0.00 0.00 178.00 178.36 2gr6 h PHE 158 N 0.88 -0.83 -0.09 1.56 3.57 -1.43 -0.62 116.94 119.97 2gr6 h PHE 158 Ca 0.36 -0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.72 2gr6 h PHE 158 Cb 0.28 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 2gr6 h PHE 158 CO -0.00 -0.52 -0.49 -1.00 -2.23 0.00 0.00 178.31 174.07 2gr6 h PRO 159 N -0.91 0.24 -0.54 6.41 0.13 -1.69 -3.08 132.00 132.57 2gr6 h PRO 159 Ca -0.09 -0.13 -0.11 0.00 -0.87 0.00 0.00 66.00 64.79 2gr6 h PRO 159 Cb 0.69 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.81 2gr6 h PRO 159 CO 0.15 0.68 -0.11 0.82 -0.23 0.00 0.00 178.00 179.31 2gr6 h ILE 160 N 0.19 1.27 -0.44 -3.56 2.04 -1.26 -1.45 117.51 114.30 2gr6 h ILE 160 Ca 0.01 -1.27 -0.09 0.00 1.00 0.00 0.00 64.86 64.52 2gr6 h ILE 160 Cb 0.94 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 2gr6 h ILE 160 CO 0.08 0.45 -0.07 0.03 0.00 0.00 0.00 178.15 178.63 2gr6 h ARG 161 N 0.90 0.77 -0.55 2.37 3.08 -1.14 0.60 114.38 120.42 2gr6 h ARG 161 Ca 0.14 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 2gr6 h ARG 161 Cb 0.67 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 2gr6 h ARG 161 CO 0.05 0.83 0.22 0.82 -1.07 0.00 0.00 179.97 180.82 2gr6 h ILE 162 N 0.71 1.22 -0.27 2.04 1.08 -1.41 -0.85 117.51 120.02 2gr6 h ILE 162 Ca 0.13 -0.67 -0.04 0.00 -0.39 0.00 0.00 64.86 63.88 2gr6 h ILE 162 Cb 0.54 0.64 -0.01 0.00 -3.07 0.00 0.00 36.82 34.92 2gr6 h ILE 162 CO 0.03 0.26 0.01 0.15 -0.69 0.00 0.00 178.15 177.91 2gr6 h PHE 163 N 0.74 0.51 0.00 1.37 3.57 -0.67 -0.49 116.94 121.97 2gr6 h PHE 163 Ca 0.18 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 2gr6 h PHE 163 Cb 0.19 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 2gr6 h PHE 163 CO 0.01 0.61 -0.04 0.52 -2.23 0.00 0.00 178.31 177.17 2gr6 h MET 164 N 0.26 0.00 0.02 1.11 2.86 -0.76 0.40 114.93 118.82 2gr6 h MET 164 Ca 0.08 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.63 2gr6 h MET 164 Cb 0.40 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.07 2gr6 h MET 164 CO 0.01 0.04 -0.37 1.25 1.06 0.00 0.00 176.91 178.91 2gr6 h LEU 165 N 0.00 0.30 -1.03 1.22 5.85 -0.73 0.46 115.31 121.38 2gr6 h LEU 165 Ca -0.00 -0.82 -0.05 0.00 0.84 0.00 0.00 57.88 57.85 2gr6 h LEU 165 Cb 0.11 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2gr6 h LEU 165 CO 0.01 1.08 0.13 0.25 -0.34 0.00 0.00 178.44 179.56 2gr6 h LEU 166 N -0.45 0.77 0.00 2.25 5.85 -0.16 -2.27 115.31 121.30 2gr6 h LEU 166 Ca -0.05 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2gr6 h LEU 166 Cb 1.15 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.98 2gr6 h LEU 166 CO 0.07 0.76 -0.23 0.00 -0.34 0.00 0.00 178.44 178.70 2gr6 h ALA 167 N 1.34 0.86 -1.14 1.25 0.00 -0.26 0.17 119.26 121.48 2gr6 h ALA 167 Ca 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 2gr6 h ALA 167 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2gr6 h ALA 167 CO -0.00 0.00 -0.21 0.41 0.00 0.00 0.00 179.25 179.45 2gr6 n GLY 168 N 1.27 0.07 3.85 0.00 0.00 0.45 -4.08 105.19 106.75 2gr6 n GLY 168 Ca 0.04 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 2gr6 n GLY 168 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gr6 s LEU 169 N -2.34 4.11 0.20 0.99 1.43 0.13 -5.00 118.68 118.20 2gr6 s LEU 169 Ca 0.00 0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 52.99 2gr6 s LEU 169 Cb 0.00 -2.59 -0.08 0.00 0.03 0.00 0.00 46.19 43.54 2gr6 s LEU 169 CO 0.00 0.22 1.24 -2.16 0.23 0.00 0.00 176.35 175.88 2gr6 s PRO 170 N -2.16 4.45 0.66 1.29 0.04 -1.26 -4.52 135.00 133.51 2gr6 s PRO 170 Ca 0.29 1.95 0.40 0.00 0.04 0.00 0.00 61.00 63.68 2gr6 s PRO 170 Cb -0.12 -3.21 2.21 0.00 0.04 0.00 0.00 34.50 33.41 2gr6 s PRO 170 CO 0.21 -0.14 2.26 0.93 0.04 0.00 0.00 177.00 180.30 2gr6 h GLU 171 N 5.15 0.00 0.00 4.56 5.08 -1.98 -1.58 114.58 125.81 2gr6 h GLU 171 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2gr6 h GLU 171 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2gr6 h GLU 171 CO 0.75 0.00 0.00 1.05 -1.00 0.00 0.00 179.01 179.81 2gr6 h GLU 172 N 0.00 0.00 0.00 2.33 4.11 -2.04 -2.12 114.58 116.86 2gr6 h GLU 172 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2gr6 h GLU 172 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2gr6 h GLU 172 CO -0.00 0.00 -0.13 -0.25 0.07 0.00 0.00 179.01 178.70 2gr6 n ASP 173 N -2.84 0.53 -0.20 3.06 10.43 -0.59 -4.25 116.55 122.69 2gr6 n ASP 173 Ca 0.00 0.42 0.01 0.00 2.57 0.00 0.00 54.79 57.79 2gr6 n ASP 173 Cb 0.23 -0.49 0.10 0.00 1.84 0.00 0.00 41.12 42.80 2gr6 n ASP 173 CO 0.00 0.00 0.00 0.40 -1.07 0.00 0.00 177.20 176.53 2gr6 h ILE 174 N 0.00 0.50 -0.79 0.53 2.04 -1.55 -1.58 117.51 116.66 2gr6 h ILE 174 Ca 0.00 -0.04 0.10 0.00 1.00 0.00 0.00 64.86 65.92 2gr6 h ILE 174 Cb 0.65 0.38 -0.08 0.00 -0.74 0.00 0.00 36.82 37.03 2gr6 h ILE 174 CO 0.00 0.02 0.43 -0.65 0.00 0.00 0.00 178.15 177.95 2gr6 h PRO 175 N 0.11 0.69 -0.13 2.37 0.11 -1.81 0.23 132.00 133.58 2gr6 h PRO 175 Ca 0.32 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.32 2gr6 h PRO 175 Cb 0.51 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.46 2gr6 h PRO 175 CO -0.52 0.46 -0.16 1.25 -0.21 0.00 0.00 178.00 178.82 2gr6 h HIS 176 N 0.71 0.40 -0.30 0.65 -0.00 -1.69 -2.48 115.15 112.44 2gr6 h HIS 176 Ca 0.39 -0.13 -0.05 0.00 -0.00 0.00 0.00 60.37 60.58 2gr6 h HIS 176 Cb 0.40 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.72 2gr6 h HIS 176 CO -0.08 0.76 -0.02 -0.07 -0.00 0.00 0.00 177.93 178.52 2gr6 h LEU 177 N -0.07 0.53 -0.82 0.26 3.38 -0.99 -2.20 115.31 115.40 2gr6 h LEU 177 Ca 0.02 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.71 2gr6 h LEU 177 Cb 0.71 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 2gr6 h LEU 177 CO 0.04 0.72 0.51 0.50 0.09 0.00 0.00 178.44 180.30 2gr6 h LYS 178 N 0.32 0.94 -0.37 1.13 3.64 -0.61 -1.72 116.57 119.89 2gr6 h LYS 178 Ca 0.08 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2gr6 h LYS 178 Cb 0.46 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2gr6 h LYS 178 CO 0.02 0.62 0.20 -0.92 -2.27 0.00 0.00 179.45 177.10 2gr6 h TYR 179 N 0.97 0.51 -0.16 1.91 3.20 -1.29 -1.89 116.97 120.21 2gr6 h TYR 179 Ca 0.34 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.20 2gr6 h TYR 179 Cb 0.09 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 2gr6 h TYR 179 CO -0.03 0.40 0.09 -0.07 -1.64 0.00 0.00 178.16 176.92 2gr6 h LEU 180 N 0.47 0.20 -1.04 2.82 3.38 -0.82 -2.15 115.31 118.17 2gr6 h LEU 180 Ca 0.13 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2gr6 h LEU 180 Cb 0.06 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2gr6 h LEU 180 CO -0.02 0.21 -0.08 0.71 0.09 0.00 0.00 178.44 179.35 2gr6 h THR 181 N 0.18 1.23 -0.74 0.22 1.35 -1.31 -2.68 112.91 111.17 2gr6 h THR 181 Ca 0.06 -1.00 -0.03 0.00 -0.55 0.00 0.00 66.41 64.89 2gr6 h THR 181 Cb 0.05 1.05 -0.03 0.00 -1.73 0.00 0.00 68.15 67.48 2gr6 h THR 181 CO -0.01 0.34 0.33 0.44 -0.25 0.00 0.00 175.52 176.36 2gr6 h ASP 182 N 0.55 0.99 0.74 5.36 3.45 -1.14 -1.86 116.42 124.51 2gr6 h ASP 182 Ca 0.11 -0.15 0.00 0.00 0.43 0.00 0.00 57.03 57.41 2gr6 h ASP 182 Cb 0.47 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 2gr6 h ASP 182 CO 0.03 0.87 0.00 1.56 -1.57 0.00 0.00 179.24 180.12 2gr6 h GLN 183 N 1.04 0.00 0.18 3.56 1.08 -1.06 0.45 115.11 120.37 2gr6 h GLN 183 Ca 0.25 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 57.13 2gr6 h GLN 183 Cb 0.16 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.61 2gr6 h GLN 183 CO -0.03 0.00 -1.51 0.52 -0.95 0.00 0.00 178.83 176.87 2gr6 h MET 184 N 0.00 0.38 0.07 1.46 2.86 -1.13 -3.21 114.93 115.36 2gr6 h MET 184 Ca 0.00 -0.65 -0.34 0.00 -2.06 0.00 0.00 59.70 56.65 2gr6 h MET 184 Cb 0.37 0.24 -0.03 0.00 0.06 0.00 0.00 31.60 32.25 2gr6 h MET 184 CO 0.00 1.29 -1.86 0.25 1.06 0.00 0.00 176.91 177.65 2gr6 n THR 185 N -3.59 1.68 -3.24 2.22 -2.24 -0.86 -4.67 114.28 103.58 2gr6 n THR 185 Ca -0.17 -0.46 -0.25 0.00 -2.27 0.00 0.00 64.05 60.91 2gr6 n THR 185 Cb 1.07 -1.80 -0.07 0.00 -2.10 0.00 0.00 70.33 67.43 2gr6 n THR 185 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2gr6 n ARG 186 N -3.78 1.55 -1.67 -0.78 1.74 0.16 -2.09 116.66 111.79 2gr6 n ARG 186 Ca -0.34 -3.86 -0.49 0.00 -0.77 0.00 0.00 57.85 52.39 2gr6 n ARG 186 Cb 0.93 -1.70 -0.05 0.00 -1.02 0.00 0.00 32.46 30.62 2gr6 n ARG 186 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2gr6 n PRO 187 N 0.95 1.94 0.00 5.56 -0.04 -1.21 -4.56 135.00 137.63 2gr6 n PRO 187 Ca 0.25 0.71 0.14 0.00 -0.04 0.00 0.00 63.50 64.56 2gr6 n PRO 187 Cb 0.49 -2.49 0.51 0.00 -0.04 0.00 0.00 33.50 31.97 2gr6 n PRO 187 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2gr6 n ASP 188 N 5.23 1.03 0.00 3.54 3.85 -1.26 -4.93 116.55 124.01 2gr6 n ASP 188 Ca 0.21 -1.06 0.00 0.00 -0.71 0.00 0.00 54.79 53.24 2gr6 n ASP 188 Cb 0.26 0.04 0.00 0.00 -1.35 0.00 0.00 41.12 40.07 2gr6 n ASP 188 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2gr6 n GLY 189 N 1.25 3.17 0.25 6.12 0.00 -1.26 -4.94 105.19 109.78 2gr6 n GLY 189 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.25 2gr6 n GLY 189 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2gr6 h SER 190 N 0.00 0.00 -4.62 1.61 4.64 -1.99 -3.44 113.55 109.75 2gr6 h SER 190 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 2gr6 h SER 190 Cb 0.00 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 61.89 2gr6 h SER 190 CO 0.00 0.07 0.06 0.00 -0.87 0.00 0.00 176.83 176.08 2gr6 s MET 191 N -4.88 0.88 1.00 4.77 0.23 -1.26 -5.13 119.30 114.91 2gr6 s MET 191 Ca -0.05 0.42 -0.14 0.00 -1.03 0.00 0.00 55.69 54.89 2gr6 s MET 191 Cb 0.16 0.42 0.19 0.00 -1.53 0.00 0.00 34.83 34.07 2gr6 s MET 191 CO 0.67 -0.22 1.13 0.95 -2.03 0.00 0.00 175.02 175.52 2gr6 s THR 192 N -0.65 1.93 0.13 3.16 -4.23 -1.26 -4.83 115.64 109.88 2gr6 s THR 192 Ca -0.07 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.30 2gr6 s THR 192 Cb -0.02 -2.62 -0.02 0.00 1.34 0.00 0.00 72.50 71.17 2gr6 s THR 192 CO 0.06 0.00 1.54 0.15 -0.54 0.00 0.00 174.62 175.83 2gr6 h PHE 193 N -1.87 0.86 -0.48 3.99 3.57 -1.94 -1.80 116.94 119.28 2gr6 h PHE 193 Ca -0.51 -0.18 0.01 0.00 3.53 0.00 0.00 57.97 60.83 2gr6 h PHE 193 Cb 1.32 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.82 2gr6 h PHE 193 CO -0.25 0.89 0.30 0.00 -2.23 0.00 0.00 178.31 177.02 2gr6 h ALA 194 N 0.86 0.61 -0.59 2.41 0.00 -1.91 0.44 119.26 121.08 2gr6 h ALA 194 Ca 0.11 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2gr6 h ALA 194 Cb 0.59 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2gr6 h ALA 194 CO 0.04 0.01 0.27 0.93 0.00 0.00 0.00 179.25 180.49 2gr6 h GLU 195 N 0.60 0.87 -0.23 0.00 5.08 -1.91 -1.07 114.58 117.92 2gr6 h GLU 195 Ca 0.18 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 2gr6 h GLU 195 Cb -0.02 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 2gr6 h GLU 195 CO -0.06 0.72 -0.24 0.00 -1.00 0.00 0.00 179.01 178.42 2gr6 h ALA 196 N 1.11 1.15 0.04 3.43 0.00 -0.88 -2.00 119.26 122.11 2gr6 h ALA 196 Ca 0.20 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2gr6 h ALA 196 Cb 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2gr6 h ALA 196 CO -0.02 0.54 -0.02 -0.22 0.00 0.00 0.00 179.25 179.53 2gr6 h LYS 197 N 0.39 -0.05 -0.62 0.00 3.64 -0.62 -1.22 116.57 118.10 2gr6 h LYS 197 Ca 0.06 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.55 2gr6 h LYS 197 Cb 0.64 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.39 2gr6 h LYS 197 CO 0.05 0.31 0.18 1.49 -2.27 0.00 0.00 179.45 179.20 2gr6 h GLU 198 N -0.42 0.31 -0.47 1.90 4.81 -1.09 0.41 114.58 120.04 2gr6 h GLU 198 Ca -0.01 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 2gr6 h GLU 198 Cb 0.38 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 2gr6 h GLU 198 CO 0.01 0.21 0.04 0.00 -0.73 0.00 0.00 179.01 178.53 2gr6 h ALA 199 N 1.47 1.18 -0.43 2.92 0.00 -1.27 0.20 119.26 123.33 2gr6 h ALA 199 Ca 0.33 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 2gr6 h ALA 199 Cb 0.46 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2gr6 h ALA 199 CO -0.38 0.54 -0.30 1.25 0.00 0.00 0.00 179.25 180.36 2gr6 h LEU 200 N 0.72 1.01 -0.79 0.00 5.85 0.26 -1.89 115.31 120.46 2gr6 h LEU 200 Ca 0.15 -0.42 -0.11 0.00 0.84 0.00 0.00 57.88 58.33 2gr6 h LEU 200 Cb 0.39 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2gr6 h LEU 200 CO 0.01 1.22 -0.29 1.88 -0.34 0.00 0.00 178.44 180.92 2gr6 h TYR 201 N 0.81 0.66 -0.93 1.25 0.05 0.17 -2.13 116.97 116.85 2gr6 h TYR 201 Ca 0.09 -0.16 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 2gr6 h TYR 201 Cb 0.89 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 38.43 2gr6 h TYR 201 CO 0.06 0.81 0.54 0.22 -1.05 0.00 0.00 178.16 178.74 2gr6 h ASP 202 N 0.50 1.13 -0.22 3.88 1.82 -0.30 -1.24 116.42 121.98 2gr6 h ASP 202 Ca 0.06 -0.08 -0.02 0.00 -0.39 0.00 0.00 57.03 56.61 2gr6 h ASP 202 Cb 0.76 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.47 2gr6 h ASP 202 CO 0.06 0.87 0.06 0.22 -1.61 0.00 0.00 179.24 178.84 2gr6 h TYR 203 N 1.28 0.37 -0.33 0.28 3.20 -1.03 -3.33 116.97 117.41 2gr6 h TYR 203 Ca 0.33 -0.04 -0.17 0.00 3.14 0.00 0.00 58.73 61.99 2gr6 h TYR 203 Cb -0.03 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.13 2gr6 h TYR 203 CO 0.01 0.45 -0.46 -0.07 -1.64 0.00 0.00 178.16 176.45 2gr6 h LEU 204 N 0.18 0.97 -0.77 2.82 3.38 -1.01 -3.37 115.31 117.51 2gr6 h LEU 204 Ca 0.07 -0.50 0.08 0.00 0.09 0.00 0.00 57.88 57.62 2gr6 h LEU 204 Cb 0.26 -0.28 -0.11 0.00 0.09 0.00 0.00 40.66 40.63 2gr6 h LEU 204 CO 0.00 1.28 -0.56 0.40 0.09 0.00 0.00 178.44 179.65 2gr6 h ILE 205 N 0.69 0.01 -0.13 1.22 2.04 -1.35 0.16 117.51 120.14 2gr6 h ILE 205 Ca 0.04 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 2gr6 h ILE 205 Cb 1.06 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2gr6 h ILE 205 CO 0.11 0.00 -0.06 -0.65 0.00 0.00 0.00 178.15 177.54 2gr6 h PRO 206 N -0.15 0.20 -0.22 2.37 0.11 -1.77 -2.25 132.00 130.28 2gr6 h PRO 206 Ca 0.14 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 66.05 2gr6 h PRO 206 Cb 0.49 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.57 2gr6 h PRO 206 CO -0.81 0.28 -0.53 0.82 -0.21 0.00 0.00 178.00 177.55 2gr6 h ILE 207 N 0.19 1.30 -0.34 4.15 2.04 -1.37 -2.16 117.51 121.32 2gr6 h ILE 207 Ca 0.04 -1.73 -0.11 0.00 1.00 0.00 0.00 64.86 64.06 2gr6 h ILE 207 Cb 0.24 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 2gr6 h ILE 207 CO 0.01 0.55 -0.26 0.40 0.00 0.00 0.00 178.15 178.85 2gr6 h ILE 208 N 0.48 1.27 -0.01 -0.67 2.04 -0.41 -0.93 117.51 119.29 2gr6 h ILE 208 Ca -0.00 -1.36 -0.18 0.00 1.00 0.00 0.00 64.86 64.32 2gr6 h ILE 208 Cb 1.14 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 2gr6 h ILE 208 CO 0.11 0.44 -0.79 -0.08 0.00 0.00 0.00 178.15 177.84 2gr6 h GLU 209 N 0.59 0.13 -0.09 2.37 4.57 -1.43 -2.08 114.58 118.65 2gr6 h GLU 209 Ca 0.08 -0.13 -0.05 0.00 -1.18 0.00 0.00 59.36 58.08 2gr6 h GLU 209 Cb 0.75 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.37 2gr6 h GLU 209 CO 0.06 0.85 -0.14 0.37 -1.18 0.00 0.00 179.01 178.98 2gr6 h GLN 210 N 0.08 0.25 0.00 1.92 4.15 -1.26 -2.77 115.11 117.49 2gr6 h GLN 210 Ca -0.03 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.23 2gr6 h GLN 210 Cb 1.38 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 29.08 2gr6 h GLN 210 CO 0.11 0.72 -0.08 0.00 -1.93 0.00 0.00 178.83 177.65 2gr6 h ARG 211 N -0.19 0.00 0.00 1.69 -0.00 -1.19 -1.85 114.38 112.85 2gr6 h ARG 211 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.49 2gr6 h ARG 211 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.66 2gr6 h ARG 211 CO 0.03 0.08 -0.23 -0.09 0.00 0.00 0.00 179.97 179.76 2gr6 h ARG 212 N 0.00 0.00 0.01 0.04 2.43 -1.27 -2.69 114.38 112.91 2gr6 h ARG 212 Ca -0.00 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.92 2gr6 h ARG 212 Cb 0.34 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 2gr6 h ARG 212 CO 0.01 0.00 -1.33 0.37 -1.51 0.00 0.00 179.97 177.51 2gr6 h GLN 213 N 0.00 0.03 -3.20 0.20 5.75 -1.08 -3.41 115.11 113.39 2gr6 h GLN 213 Ca 0.00 -0.05 -0.65 0.00 -0.15 0.00 0.00 58.65 57.80 2gr6 h GLN 213 Cb 0.89 0.02 -0.40 0.00 1.07 0.00 0.00 27.48 29.06 2gr6 h GLN 213 CO 0.00 1.02 -0.45 0.21 -2.65 0.00 0.00 178.83 176.97 2gr6 s LYS 214 N -2.38 2.62 -0.14 1.69 2.20 -0.79 -5.08 119.74 117.86 2gr6 s LYS 214 Ca -0.28 -3.20 -0.36 0.00 -0.36 0.00 0.00 55.97 51.77 2gr6 s LYS 214 Cb 0.06 -3.56 -0.13 0.00 -1.51 0.00 0.00 37.83 32.69 2gr6 s LYS 214 CO 0.61 -1.25 1.84 -2.30 -0.36 0.00 0.00 175.35 173.89 2gr6 n PRO 215 N 2.27 1.89 0.00 4.03 -0.02 -1.01 -4.63 135.00 137.53 2gr6 n PRO 215 Ca 0.18 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 2gr6 n PRO 215 Cb 0.35 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 2gr6 n PRO 215 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gr6 n GLY 216 N 4.33 2.31 0.04 -1.23 0.00 -1.26 -5.05 105.19 104.33 2gr6 n GLY 216 Ca 0.24 -2.00 0.04 0.00 0.00 0.00 0.00 46.02 44.30 2gr6 n GLY 216 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2gr6 n THR 217 N 0.00 1.36 -2.45 2.61 -2.24 -1.26 -4.62 114.28 107.67 2gr6 n THR 217 Ca 0.00 -1.53 -0.26 0.00 -2.27 0.00 0.00 64.05 59.99 2gr6 n THR 217 Cb 0.00 0.18 0.03 0.00 -2.10 0.00 0.00 70.33 68.44 2gr6 n THR 217 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2gr6 s ASP 218 N -1.82 5.57 0.27 3.42 1.47 -1.26 -4.87 116.67 119.46 2gr6 s ASP 218 Ca 0.14 0.63 0.00 0.00 1.18 0.00 0.00 52.55 54.51 2gr6 s ASP 218 Cb 0.12 -1.63 0.54 0.00 -0.34 0.00 0.00 42.92 41.61 2gr6 s ASP 218 CO 0.01 -1.06 1.81 0.00 0.68 0.00 0.00 175.17 176.61 2gr6 h ALA 219 N -0.13 1.41 -0.20 2.11 0.00 -0.87 -0.35 119.26 121.24 2gr6 h ALA 219 Ca -0.45 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 2gr6 h ALA 219 Cb 1.26 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2gr6 h ALA 219 CO 0.60 0.09 0.02 0.82 0.00 0.00 0.00 179.25 180.78 2gr6 h ILE 220 N 0.84 1.24 -0.58 0.00 2.04 -1.79 -1.26 117.51 118.00 2gr6 h ILE 220 Ca 0.48 -0.80 0.02 0.00 1.00 0.00 0.00 64.86 65.56 2gr6 h ILE 220 Cb 0.56 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 2gr6 h ILE 220 CO -0.30 0.25 0.36 0.28 0.00 0.00 0.00 178.15 178.74 2gr6 h SER 221 N 0.12 0.60 -0.19 1.72 0.02 -1.68 0.13 113.55 114.28 2gr6 h SER 221 Ca 0.06 -0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.03 2gr6 h SER 221 Cb 0.35 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 2gr6 h SER 221 CO 0.01 0.42 0.06 0.40 -1.14 0.00 0.00 176.83 176.58 2gr6 h ILE 222 N 0.72 0.95 0.36 3.27 1.08 -0.97 -1.41 117.51 121.51 2gr6 h ILE 222 Ca 0.23 -0.05 -0.02 0.00 -0.39 0.00 0.00 64.86 64.63 2gr6 h ILE 222 Cb -0.01 0.79 0.00 0.00 -3.07 0.00 0.00 36.82 34.53 2gr6 h ILE 222 CO -0.08 0.03 -0.17 0.58 -0.69 0.00 0.00 178.15 177.81 2gr6 h VAL 223 N 0.14 0.65 -0.73 1.67 2.07 -0.77 0.23 116.25 119.51 2gr6 h VAL 223 Ca 0.08 -0.33 0.16 0.00 0.82 0.00 0.00 66.70 67.44 2gr6 h VAL 223 Cb 0.06 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 2gr6 h VAL 223 CO -0.09 0.06 0.50 0.00 0.02 0.00 0.00 177.57 178.06 2gr6 h ALA 224 N -0.11 2.25 -0.29 1.67 0.00 -0.66 -0.76 119.26 121.36 2gr6 h ALA 224 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2gr6 h ALA 224 Cb 0.48 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2gr6 h ALA 224 CO 0.08 -0.45 0.00 0.09 0.00 0.00 0.00 179.25 178.97 2gr6 n ASN 225 N -4.45 3.14 -4.10 0.00 5.03 -0.54 -4.83 115.26 109.52 2gr6 n ASN 225 Ca 0.14 -1.92 -0.30 0.00 0.87 0.00 0.00 54.58 53.37 2gr6 n ASN 225 Cb 0.59 -0.18 0.19 0.00 -1.02 0.00 0.00 39.78 39.36 2gr6 n ASN 225 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2gr6 s GLY 226 N -1.42 1.72 0.08 7.41 0.00 0.06 -4.91 107.32 110.26 2gr6 s GLY 226 Ca 0.32 -1.11 0.08 0.00 0.00 0.00 0.00 44.72 44.01 2gr6 s GLY 226 CO 0.27 -0.32 -0.21 1.20 0.00 0.00 0.00 173.10 174.04 2gr6 s GLN 227 N -5.75 1.20 -0.37 2.90 -0.21 -1.26 -2.49 119.66 113.68 2gr6 s GLN 227 Ca 0.73 -1.08 -0.07 0.00 0.02 0.00 0.00 55.36 54.96 2gr6 s GLN 227 Cb -0.06 -1.41 0.06 0.00 1.00 0.00 0.00 33.01 32.60 2gr6 s GLN 227 CO 0.54 0.34 0.17 0.14 -2.12 0.00 0.00 175.29 174.35 2gr6 s VAL 228 N -1.03 3.87 -1.54 1.09 -7.23 0.18 -4.63 120.40 111.10 2gr6 s VAL 228 Ca 0.07 -1.33 -0.06 0.00 -1.81 0.00 0.00 61.98 58.84 2gr6 s VAL 228 Cb -0.10 -3.31 0.06 0.00 0.56 0.00 0.00 36.38 33.60 2gr6 s VAL 228 CO 0.03 -0.35 0.44 0.59 -0.31 0.00 0.00 175.10 175.50 2gr6 n ASN 229 N 4.82 -0.93 0.00 4.85 5.03 -1.26 -2.63 115.26 125.14 2gr6 n ASN 229 Ca -0.10 -1.08 0.00 0.00 0.87 0.00 0.00 54.58 54.27 2gr6 n ASN 229 Cb 0.44 -2.58 0.00 0.00 -1.02 0.00 0.00 39.78 36.61 2gr6 n ASN 229 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2gr6 n GLY 230 N -1.91 3.18 3.88 7.41 0.00 -1.26 -5.07 105.19 111.42 2gr6 n GLY 230 Ca -0.19 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 2gr6 n GLY 230 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2gr6 s ARG 231 N 0.00 3.67 0.22 1.61 1.04 -1.08 -4.97 118.95 119.44 2gr6 s ARG 231 Ca 0.00 0.03 -0.32 0.00 -1.04 0.00 0.00 55.73 54.40 2gr6 s ARG 231 Cb 0.00 -2.95 -0.13 0.00 -2.04 0.00 0.00 34.95 29.83 2gr6 s ARG 231 CO 0.00 0.53 1.51 -2.30 -0.04 0.00 0.00 175.30 175.00 2gr6 n PRO 232 N 0.60 2.19 -2.49 3.89 -0.02 -1.26 -0.65 135.00 137.27 2gr6 n PRO 232 Ca -0.06 0.78 -0.40 0.00 -2.02 0.00 0.00 63.50 61.80 2gr6 n PRO 232 Cb 0.52 -2.50 -0.04 0.00 -0.02 0.00 0.00 33.50 31.45 2gr6 n PRO 232 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2gr6 s ILE 233 N 0.36 3.51 0.84 4.25 2.07 -1.04 -4.83 121.20 126.36 2gr6 s ILE 233 Ca 0.72 1.51 -0.12 0.00 -1.41 0.00 0.00 60.65 61.35 2gr6 s ILE 233 Cb -0.64 -3.96 0.09 0.00 0.13 0.00 0.00 42.46 38.09 2gr6 s ILE 233 CO 0.44 0.35 1.11 0.42 -1.91 0.00 0.00 174.94 175.36 2gr6 s THR 234 N -1.18 2.68 0.36 4.00 -4.23 -1.26 -4.89 115.64 111.13 2gr6 s THR 234 Ca 0.45 0.22 0.14 0.00 -1.18 0.00 0.00 61.69 61.31 2gr6 s THR 234 Cb -0.31 -2.97 0.10 0.00 1.34 0.00 0.00 72.50 70.66 2gr6 s THR 234 CO 0.40 -0.29 1.83 0.28 -0.54 0.00 0.00 174.62 176.31 2gr6 h SER 235 N -1.24 0.00 0.05 3.99 0.02 -1.96 -2.17 113.55 112.25 2gr6 h SER 235 Ca -0.48 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.24 2gr6 h SER 235 Cb 1.29 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.85 2gr6 h SER 235 CO 0.60 0.36 -0.94 -0.78 -1.14 0.00 0.00 176.83 174.94 2gr6 h ASP 236 N 0.00 0.73 -0.69 3.07 1.82 -1.99 -2.66 116.42 116.70 2gr6 h ASP 236 Ca -0.00 -0.80 -0.02 0.00 -0.39 0.00 0.00 57.03 55.82 2gr6 h ASP 236 Cb 0.65 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.40 2gr6 h ASP 236 CO 0.05 1.44 0.35 -0.33 -1.61 0.00 0.00 179.24 179.14 2gr6 h GLU 237 N 0.11 1.00 -0.27 0.28 5.08 -1.90 -1.53 114.58 117.36 2gr6 h GLU 237 Ca -0.13 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.01 2gr6 h GLU 237 Cb 1.63 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 2gr6 h GLU 237 CO 0.18 0.77 -0.18 0.00 -1.00 0.00 0.00 179.01 178.77 2gr6 h ALA 238 N 1.38 1.17 -0.45 3.43 0.00 -1.41 -1.58 119.26 121.80 2gr6 h ALA 238 Ca 0.25 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 2gr6 h ALA 238 Cb 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2gr6 h ALA 238 CO -0.03 0.53 -0.26 -0.22 0.00 0.00 0.00 179.25 179.26 2gr6 h LYS 239 N 0.45 0.97 0.00 0.00 3.64 -0.99 -0.98 116.57 119.66 2gr6 h LYS 239 Ca 0.07 -0.44 -0.04 0.00 -1.27 0.00 0.00 60.65 58.97 2gr6 h LYS 239 Cb 0.58 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 2gr6 h LYS 239 CO 0.04 1.11 -0.20 0.00 -2.27 0.00 0.00 179.45 178.13 2gr6 h ARG 240 N 0.83 0.00 0.21 1.90 3.08 -1.07 -2.19 114.38 117.13 2gr6 h ARG 240 Ca 0.10 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.80 2gr6 h ARG 240 Cb 0.84 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.91 2gr6 h ARG 240 CO 0.07 0.20 -1.63 1.98 -1.07 0.00 0.00 179.97 179.52 2gr6 h MET 241 N 0.00 0.44 -0.01 0.04 4.05 -1.05 0.38 114.93 118.77 2gr6 h MET 241 Ca -0.00 -0.75 -0.08 0.00 -0.28 0.00 0.00 59.70 58.59 2gr6 h MET 241 Cb 0.84 0.28 -0.01 0.00 -0.80 0.00 0.00 31.60 31.90 2gr6 h MET 241 CO 0.03 1.35 -0.37 0.00 0.23 0.00 0.00 176.91 178.14 2gr6 h GLY 243 N 1.13 0.64 1.01 0.00 0.00 -1.47 -0.66 103.07 103.72 2gr6 h GLY 243 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2gr6 h GLY 243 CO 0.05 0.33 0.48 0.00 0.00 0.00 0.00 176.54 177.40 2gr6 h ALA 244 N 1.00 0.96 -0.63 3.60 0.00 -1.43 0.48 119.26 123.25 2gr6 h ALA 244 Ca 0.13 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2gr6 h ALA 244 Cb 0.20 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2gr6 h ALA 244 CO -0.01 0.41 0.05 -0.07 0.00 0.00 0.00 179.25 179.62 2gr6 h LEU 245 N 1.03 1.04 -0.00 0.00 3.38 -1.10 0.64 115.31 120.29 2gr6 h LEU 245 Ca 0.27 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2gr6 h LEU 245 Cb -0.08 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.40 2gr6 h LEU 245 CO -0.06 1.06 -0.00 -0.07 0.09 0.00 0.00 178.44 179.47 2gr6 h LEU 246 N 0.99 0.01 -0.03 1.67 -0.00 -0.72 -0.94 115.31 116.28 2gr6 h LEU 246 Ca 0.19 -0.33 0.03 0.00 -0.00 0.00 0.00 57.88 57.76 2gr6 h LEU 246 Cb 0.50 -0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.13 2gr6 h LEU 246 CO 0.02 0.33 -0.14 0.25 -0.00 0.00 0.00 178.44 178.90 2gr6 h LEU 247 N -0.32 -0.42 -0.24 1.67 6.46 -0.79 -2.32 115.31 119.35 2gr6 h LEU 247 Ca 0.00 0.07 0.06 0.00 -0.12 0.00 0.00 57.88 57.88 2gr6 h LEU 247 Cb 0.33 0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 40.39 2gr6 h LEU 247 CO 0.00 -0.20 -0.13 1.23 -0.62 0.00 0.00 178.44 178.73 2gr6 h GLY 248 N -0.22 0.07 -2.89 3.75 0.00 -0.77 -3.29 103.07 99.71 2gr6 h GLY 248 Ca 0.06 0.16 -0.09 0.00 0.00 0.00 0.00 47.33 47.46 2gr6 h GLY 248 CO -0.16 -0.14 0.09 0.61 0.00 0.00 0.00 176.54 176.93 2gr6 n GLY 249 N -1.29 3.70 0.02 4.60 0.00 -0.37 -3.85 105.19 108.01 2gr6 n GLY 249 Ca -0.01 -1.01 -0.01 0.00 0.00 0.00 0.00 46.02 44.99 2gr6 n GLY 249 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2gr6 n LEU 250 N -0.13 0.00 -0.06 0.99 4.32 -0.89 -4.66 117.00 116.57 2gr6 n LEU 250 Ca 0.31 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 56.22 2gr6 n LEU 250 Cb 1.17 0.09 -0.06 0.00 -1.62 0.00 0.00 43.42 43.00 2gr6 n LEU 250 CO 0.30 0.09 -0.88 -0.67 -1.22 0.00 0.00 177.39 175.02 2gr6 n ASP 251 N -2.03 3.06 0.00 -1.43 -0.08 -1.25 -4.72 116.55 110.11 2gr6 n ASP 251 Ca -0.06 -0.06 0.00 0.00 -1.51 0.00 0.00 54.79 53.16 2gr6 n ASP 251 Cb 0.50 -0.11 0.00 0.00 2.34 0.00 0.00 41.12 43.85 2gr6 n ASP 251 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2gr6 n THR 252 N -2.80 0.00 -0.34 5.18 -2.24 -1.25 -2.76 114.28 110.07 2gr6 n THR 252 Ca -0.20 1.43 0.06 0.00 -2.27 0.00 0.00 64.05 63.06 2gr6 n THR 252 Cb 0.73 -2.36 0.24 0.00 -2.10 0.00 0.00 70.33 66.84 2gr6 n THR 252 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2gr6 h VAL 253 N 0.00 0.98 0.16 2.28 2.07 -1.90 -2.07 116.25 117.77 2gr6 h VAL 253 Ca 0.00 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.19 2gr6 h VAL 253 Cb 0.00 -0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 29.61 2gr6 h VAL 253 CO 0.00 0.18 -0.45 0.58 0.02 0.00 0.00 177.57 177.90 2gr6 h VAL 254 N 1.01 0.11 -0.57 2.57 2.07 -1.73 -0.82 116.25 118.88 2gr6 h VAL 254 Ca 0.45 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.91 2gr6 h VAL 254 Cb 0.38 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2gr6 h VAL 254 CO -0.21 0.00 0.08 0.78 0.02 0.00 0.00 177.57 178.24 2gr6 h ASN 255 N -0.71 0.87 -0.62 0.57 2.35 -1.30 -3.04 115.58 113.69 2gr6 h ASN 255 Ca 0.01 -0.19 -0.03 0.00 -0.55 0.00 0.00 56.30 55.54 2gr6 h ASN 255 Cb 0.72 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.83 2gr6 h ASN 255 CO -0.24 0.88 0.29 0.15 -1.65 0.00 0.00 177.43 176.86 2gr6 h PHE 256 N 0.86 0.91 -0.55 1.19 3.04 -1.06 -2.23 116.94 119.10 2gr6 h PHE 256 Ca 0.18 -0.05 0.09 0.00 3.98 0.00 0.00 57.97 62.17 2gr6 h PHE 256 Cb 0.39 -0.28 -0.03 0.00 2.56 0.00 0.00 35.95 38.59 2gr6 h PHE 256 CO 0.02 0.70 0.37 -0.07 -2.02 0.00 0.00 178.31 177.32 2gr6 h LEU 257 N 0.86 0.34 -0.42 0.59 3.38 -1.04 -1.12 115.31 117.89 2gr6 h LEU 257 Ca 0.21 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 58.01 2gr6 h LEU 257 Cb 0.14 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2gr6 h LEU 257 CO -0.02 0.21 -0.63 0.28 0.09 0.00 0.00 178.44 178.36 2gr6 h SER 258 N 0.38 0.65 -0.60 -0.43 0.02 -1.37 -0.77 113.55 111.42 2gr6 h SER 258 Ca 0.25 -0.38 -0.07 0.00 -0.84 0.00 0.00 61.79 60.75 2gr6 h SER 258 Cb 0.50 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 2gr6 h SER 258 CO -0.06 1.12 0.10 -0.26 -1.14 0.00 0.00 176.83 176.58 2gr6 h PHE 259 N 0.42 1.06 0.17 3.45 0.04 -0.89 -0.22 116.94 120.96 2gr6 h PHE 259 Ca -0.01 -0.15 -0.01 0.00 2.80 0.00 0.00 57.97 60.60 2gr6 h PHE 259 Cb 1.20 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 39.06 2gr6 h PHE 259 CO 0.05 0.91 -0.08 0.77 -0.60 0.00 0.00 178.31 179.36 2gr6 h SER 260 N 0.90 -0.20 0.01 2.17 0.02 -1.17 -2.34 113.55 112.93 2gr6 h SER 260 Ca 0.18 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 60.85 2gr6 h SER 260 Cb 0.42 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 2gr6 h SER 260 CO 0.01 0.14 -0.11 -0.03 -1.14 0.00 0.00 176.83 175.70 2gr6 h MET 261 N -0.56 0.24 -0.22 3.45 1.85 -1.13 0.63 114.93 119.19 2gr6 h MET 261 Ca -0.02 -0.05 -0.02 0.00 -0.61 0.00 0.00 59.70 59.00 2gr6 h MET 261 Cb 0.42 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.41 2gr6 h MET 261 CO 0.04 0.36 0.06 1.49 -0.40 0.00 0.00 176.91 178.46 2gr6 h GLU 262 N 0.23 0.35 -0.71 0.39 4.81 -0.99 0.56 114.58 119.22 2gr6 h GLU 262 Ca 0.05 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 2gr6 h GLU 262 Cb 0.35 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 2gr6 h GLU 262 CO 0.02 0.45 0.25 0.35 -0.73 0.00 0.00 179.01 179.35 2gr6 h PHE 263 N 0.19 1.12 -0.42 0.92 3.04 -0.84 -2.62 116.94 118.31 2gr6 h PHE 263 Ca 0.07 -0.10 -0.08 0.00 3.98 0.00 0.00 57.97 61.84 2gr6 h PHE 263 Cb 0.25 -0.33 -0.02 0.00 2.56 0.00 0.00 35.95 38.41 2gr6 h PHE 263 CO 0.01 0.87 -0.06 -0.07 -2.02 0.00 0.00 178.31 177.04 2gr6 h LEU 264 N 1.03 0.70 -1.38 0.59 3.38 -0.66 -1.46 115.31 117.51 2gr6 h LEU 264 Ca 0.23 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2gr6 h LEU 264 Cb 0.26 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2gr6 h LEU 264 CO -0.01 0.80 -0.11 0.00 0.09 0.00 0.00 178.44 179.21 2gr6 h ALA 265 N 1.27 1.49 -0.04 1.53 0.00 -0.55 -1.98 119.26 120.98 2gr6 h ALA 265 Ca 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2gr6 h ALA 265 Cb 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2gr6 h ALA 265 CO 0.03 0.36 0.00 1.63 0.00 0.00 0.00 179.25 181.27 2gr6 n LYS 266 N -4.28 1.97 -3.65 0.00 5.02 -1.02 -4.29 118.16 111.91 2gr6 n LYS 266 Ca -0.00 -1.41 -0.27 0.00 -2.02 0.00 0.00 58.31 54.60 2gr6 n LYS 266 Cb 0.27 -1.47 -0.11 0.00 -0.02 0.00 0.00 35.03 33.70 2gr6 n LYS 266 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2gr6 n SER 267 N 0.71 1.64 -0.15 4.39 7.64 -0.58 -4.95 113.62 122.32 2gr6 n SER 267 Ca 0.17 -2.89 -0.00 0.00 1.01 0.00 0.00 58.87 57.15 2gr6 n SER 267 Cb 0.46 -0.67 0.25 0.00 -1.01 0.00 0.00 64.21 63.24 2gr6 n SER 267 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2gr6 h PRO 268 N 5.34 0.85 -0.82 1.43 0.13 -1.82 -1.48 132.00 135.63 2gr6 h PRO 268 Ca 0.19 -0.10 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 2gr6 h PRO 268 Cb 0.81 -0.17 -0.04 0.00 0.13 0.00 0.00 31.00 31.73 2gr6 h PRO 268 CO 0.58 0.65 0.46 1.49 -0.23 0.00 0.00 178.00 180.95 2gr6 h GLU 269 N 0.85 1.14 -0.33 0.86 4.81 -1.93 0.44 114.58 120.41 2gr6 h GLU 269 Ca 0.21 -0.12 -0.12 0.00 -0.13 0.00 0.00 59.36 59.20 2gr6 h GLU 269 Cb 0.06 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 2gr6 h GLU 269 CO -0.03 0.82 -0.28 0.45 -0.73 0.00 0.00 179.01 179.24 2gr6 h HIS 270 N 1.14 0.80 0.28 0.92 3.86 -1.77 -2.53 115.15 117.85 2gr6 h HIS 270 Ca 0.29 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 2gr6 h HIS 270 Cb 0.01 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.30 2gr6 h HIS 270 CO 0.01 0.90 -0.14 0.00 0.86 0.00 0.00 177.93 179.56 2gr6 h ARG 271 N 0.60 -0.36 -0.09 2.45 3.08 -0.28 -2.76 114.38 117.01 2gr6 h ARG 271 Ca 0.07 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.17 2gr6 h ARG 271 Cb 0.79 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.92 2gr6 h ARG 271 CO 0.06 -0.14 0.07 1.96 -1.07 0.00 0.00 179.97 180.85 2gr6 h GLN 272 N -0.53 0.00 -0.63 0.04 7.50 -0.94 -1.12 115.11 119.43 2gr6 h GLN 272 Ca -0.04 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.08 2gr6 h GLN 272 Cb 0.39 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.89 2gr6 h GLN 272 CO 0.06 0.00 0.29 1.49 -1.50 0.00 0.00 178.83 179.17 2gr6 h GLU 273 N 0.00 0.91 0.00 1.46 4.81 -1.17 0.16 114.58 120.75 2gr6 h GLU 273 Ca 0.04 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 2gr6 h GLU 273 Cb 0.17 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2gr6 h GLU 273 CO -0.00 0.75 -0.17 -0.07 -0.73 0.00 0.00 179.01 178.79 2gr6 h LEU 274 N 0.87 0.00 0.19 1.64 3.38 -1.13 -0.52 115.31 119.74 2gr6 h LEU 274 Ca 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2gr6 h LEU 274 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2gr6 h LEU 274 CO -0.02 0.17 -0.09 0.40 0.09 0.00 0.00 178.44 178.99 2gr6 h ILE 275 N 0.00 0.73 -0.17 1.22 2.04 -0.61 -2.68 117.51 118.05 2gr6 h ILE 275 Ca -0.00 -1.06 -0.12 0.00 1.00 0.00 0.00 64.86 64.67 2gr6 h ILE 275 Cb 0.96 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 2gr6 h ILE 275 CO 0.02 0.19 -0.43 -0.33 0.00 0.00 0.00 178.15 177.60 2gr6 h GLU 276 N -0.90 0.39 -2.41 2.37 5.08 -0.74 -3.36 114.58 115.02 2gr6 h GLU 276 Ca -0.03 -0.20 -0.59 0.00 -1.00 0.00 0.00 59.36 57.54 2gr6 h GLU 276 Cb 0.50 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.35 2gr6 h GLU 276 CO 0.04 0.76 -0.78 0.54 -1.00 0.00 0.00 179.01 178.57 2gr6 n ARG 277 N -4.01 1.48 0.32 2.33 3.00 -0.20 -4.96 116.66 114.63 2gr6 n ARG 277 Ca -0.02 -4.01 0.21 0.00 -0.01 0.00 0.00 57.85 54.03 2gr6 n ARG 277 Cb 0.51 -1.91 1.09 0.00 0.00 0.00 0.00 32.46 32.15 2gr6 n ARG 277 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 2gr6 h PRO 278 N 4.72 0.00 0.00 5.56 0.13 -1.63 -2.74 132.00 138.05 2gr6 h PRO 278 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2gr6 h PRO 278 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2gr6 h PRO 278 CO 0.63 0.01 0.00 -0.85 -0.23 0.00 0.00 178.00 177.56 2gr6 n GLU 279 N -3.16 0.17 -0.00 0.86 0.00 -1.26 -1.90 120.64 115.35 2gr6 n GLU 279 Ca -0.02 0.47 0.14 0.00 0.00 0.00 0.00 57.16 57.75 2gr6 n GLU 279 Cb 0.12 -1.87 0.56 0.00 0.00 0.00 0.00 31.44 30.26 2gr6 n GLU 279 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2gr6 n ARG 280 N -2.19 1.61 -0.24 3.44 1.74 -1.03 -4.30 116.66 115.68 2gr6 n ARG 280 Ca 0.01 -0.88 0.01 0.00 -0.77 0.00 0.00 57.85 56.22 2gr6 n ARG 280 Cb 0.17 -1.48 0.13 0.00 -1.02 0.00 0.00 32.46 30.26 2gr6 n ARG 280 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2gr6 h ILE 281 N 2.15 0.87 -0.75 0.55 2.04 -1.58 0.67 117.51 121.45 2gr6 h ILE 281 Ca 0.00 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 2gr6 h ILE 281 Cb 0.46 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 2gr6 h ILE 281 CO 0.00 0.11 0.47 -0.65 0.00 0.00 0.00 178.15 178.08 2gr6 h PRO 282 N 0.60 1.00 -0.82 2.37 0.11 -1.83 0.13 132.00 133.57 2gr6 h PRO 282 Ca 0.34 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.35 2gr6 h PRO 282 Cb 0.33 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 31.19 2gr6 h PRO 282 CO -0.25 0.70 0.44 0.00 -0.21 0.00 0.00 178.00 178.68 2gr6 h ALA 283 N 1.25 1.05 -0.82 -0.75 0.00 -1.55 -1.81 119.26 116.63 2gr6 h ALA 283 Ca 0.27 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2gr6 h ALA 283 Cb -0.06 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.36 2gr6 h ALA 283 CO -0.05 0.57 0.35 0.00 0.00 0.00 0.00 179.25 180.12 2gr6 h ALA 284 N 1.24 1.08 -0.27 0.00 0.00 -0.22 -1.28 119.26 119.81 2gr6 h ALA 284 Ca 0.29 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.06 2gr6 h ALA 284 Cb 0.04 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 2gr6 h ALA 284 CO -0.05 0.67 -0.01 0.00 0.00 0.00 0.00 179.25 179.86 2gr6 h GLU 286 N 0.07 0.83 -0.69 0.00 4.57 -0.96 -0.75 114.58 117.64 2gr6 h GLU 286 Ca 0.13 -0.22 -0.07 0.00 -1.18 0.00 0.00 59.36 58.02 2gr6 h GLU 286 Cb 0.17 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 2gr6 h GLU 286 CO -0.22 0.83 0.17 1.49 -1.18 0.00 0.00 179.01 180.09 2gr6 h GLU 287 N 0.71 1.11 -0.70 1.92 4.57 -0.90 -2.25 114.58 119.04 2gr6 h GLU 287 Ca 0.15 -0.26 -0.07 0.00 -1.18 0.00 0.00 59.36 58.00 2gr6 h GLU 287 Cb 0.40 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 2gr6 h GLU 287 CO 0.01 0.98 0.16 -0.07 -1.18 0.00 0.00 179.01 178.91 2gr6 h LEU 288 N 1.05 1.07 -1.68 1.64 3.38 -0.33 -1.06 115.31 119.38 2gr6 h LEU 288 Ca 0.22 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2gr6 h LEU 288 Cb 0.37 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2gr6 h LEU 288 CO 0.00 1.03 0.02 -0.07 0.09 0.00 0.00 178.44 179.51 2gr6 h LEU 289 N 1.06 0.19 0.31 1.67 3.38 -0.80 0.11 115.31 121.24 2gr6 h LEU 289 Ca 0.22 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 2gr6 h LEU 289 Cb 0.38 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2gr6 h LEU 289 CO 0.00 0.22 -0.15 -0.09 0.09 0.00 0.00 178.44 178.51 2gr6 h ARG 290 N 0.22 -0.41 -0.56 1.13 2.43 -0.78 -2.54 114.38 113.87 2gr6 h ARG 290 Ca 0.05 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.33 2gr6 h ARG 290 Cb 0.12 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 2gr6 h ARG 290 CO -0.00 -0.27 0.38 -0.09 -1.51 0.00 0.00 179.97 178.48 2gr6 h ARG 291 N -0.90 0.45 -0.43 0.20 9.65 -1.10 -2.81 114.38 119.44 2gr6 h ARG 291 Ca -0.04 -0.03 -0.29 0.00 -1.10 0.00 0.00 59.98 58.52 2gr6 h ARG 291 Cb 0.32 -0.10 -0.20 0.00 -1.39 0.00 0.00 29.97 28.61 2gr6 h ARG 291 CO 0.07 0.30 -0.36 1.19 2.80 0.00 0.00 179.97 183.97 2gr6 n PHE 292 N -4.47 1.49 -1.57 2.20 3.01 0.38 -4.95 117.46 113.54 2gr6 n PHE 292 Ca 0.08 -1.89 -0.38 0.00 1.01 0.00 0.00 57.45 56.27 2gr6 n PHE 292 Cb 0.29 -0.45 0.05 0.00 -0.01 0.00 0.00 39.48 39.35 2gr6 n PHE 292 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2gr6 n SER 293 N -0.98 0.25 0.00 4.37 2.88 -0.96 -4.92 113.62 114.27 2gr6 n SER 293 Ca 0.35 0.80 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 2gr6 n SER 293 Cb 0.89 -1.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.03 2gr6 n SER 293 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2gr6 n LEU 294 N -0.31 0.04 -4.86 2.46 -0.00 -1.26 -4.89 117.00 108.18 2gr6 n LEU 294 Ca 0.13 -0.07 -0.36 0.00 -0.00 0.00 0.00 56.01 55.71 2gr6 n LEU 294 Cb 0.47 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.83 2gr6 n LEU 294 CO 0.50 0.01 0.10 -0.69 -0.00 0.00 0.00 177.39 177.31 2gr6 s VAL 295 N -0.05 5.05 -0.34 1.47 1.01 -1.26 -1.20 120.40 125.07 2gr6 s VAL 295 Ca 0.00 0.60 0.05 0.00 0.00 0.00 0.00 61.98 62.64 2gr6 s VAL 295 Cb 0.00 -3.67 0.18 0.00 0.00 0.00 0.00 36.38 32.89 2gr6 s VAL 295 CO 0.00 0.37 0.53 0.00 0.00 0.00 0.00 175.10 176.01 2gr6 s ALA 296 N -1.31 -1.85 0.10 5.51 0.00 0.10 -1.85 121.76 122.47 2gr6 s ALA 296 Ca 0.30 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.56 2gr6 s ALA 296 Cb -0.15 -2.44 -0.00 0.00 0.00 0.00 0.00 23.12 20.53 2gr6 s ALA 296 CO 0.17 -1.99 0.01 -0.40 0.00 0.00 0.00 175.76 173.55 2gr6 n ASP 297 N 4.90 1.72 0.00 0.00 5.75 -1.26 -4.45 116.55 123.21 2gr6 n ASP 297 Ca 0.07 -1.47 0.00 0.00 -0.01 0.00 0.00 54.79 53.38 2gr6 n ASP 297 Cb 0.53 0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.76 2gr6 n ASP 297 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2gr6 n GLY 298 N 2.80 4.68 3.23 6.12 0.00 -0.33 -1.58 105.19 120.11 2gr6 n GLY 298 Ca -0.03 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.84 2gr6 n GLY 298 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gr6 s ARG 299 N 1.63 1.23 -0.03 1.61 1.81 -0.32 -4.25 118.95 120.63 2gr6 s ARG 299 Ca 0.00 -1.61 0.07 0.00 -1.72 0.00 0.00 55.73 52.48 2gr6 s ARG 299 Cb 0.00 0.29 -0.02 0.00 -0.45 0.00 0.00 34.95 34.77 2gr6 s ARG 299 CO 0.00 -0.41 -0.25 -1.50 -0.68 0.00 0.00 175.30 172.46 2gr6 s ILE 300 N -4.14 1.98 -0.05 1.52 2.07 -0.26 -0.92 121.20 121.40 2gr6 s ILE 300 Ca 0.38 -1.06 -0.30 0.00 -1.41 0.00 0.00 60.65 58.26 2gr6 s ILE 300 Cb 0.06 -1.65 -0.04 0.00 0.13 0.00 0.00 42.46 40.96 2gr6 s ILE 300 CO 0.12 0.56 1.35 -0.76 -1.91 0.00 0.00 174.94 174.30 2gr6 s LEU 301 N -0.48 4.28 0.00 8.50 2.01 -0.20 -1.11 118.68 131.68 2gr6 s LEU 301 Ca 0.06 1.98 0.29 0.00 0.01 0.00 0.00 54.13 56.47 2gr6 s LEU 301 Cb -0.11 -3.55 1.33 0.00 0.01 0.00 0.00 46.19 43.87 2gr6 s LEU 301 CO 0.00 -0.72 1.92 0.35 1.01 0.00 0.00 176.35 178.92 2gr6 n THR 302 N 4.86 0.00 -3.61 5.49 -2.24 -0.62 -0.88 114.28 117.29 2gr6 n THR 302 Ca 0.13 -0.04 -0.02 0.00 -2.27 0.00 0.00 64.05 61.85 2gr6 n THR 302 Cb 0.44 -0.21 -0.01 0.00 -2.10 0.00 0.00 70.33 68.45 2gr6 n THR 302 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2gr6 s SER 303 N -2.47 -0.10 0.53 3.42 1.04 -1.26 -4.88 113.70 109.98 2gr6 s SER 303 Ca 0.30 -0.08 -0.22 0.00 0.48 0.00 0.00 55.95 56.43 2gr6 s SER 303 Cb 0.20 0.17 -0.05 0.00 0.10 0.00 0.00 66.02 66.44 2gr6 s SER 303 CO 0.46 -0.29 1.34 0.47 0.98 0.00 0.00 173.24 176.20 2gr6 n ASP 304 N -0.30 2.65 -3.61 7.02 8.00 -1.26 -3.81 116.55 125.23 2gr6 n ASP 304 Ca -0.04 0.99 -0.03 0.00 0.71 0.00 0.00 54.79 56.42 2gr6 n ASP 304 Cb 0.61 -1.57 -0.06 0.00 -0.02 0.00 0.00 41.12 40.08 2gr6 n ASP 304 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2gr6 s TYR 305 N -1.28 -0.70 -0.36 1.24 5.04 -0.09 -4.88 117.35 116.31 2gr6 s TYR 305 Ca 0.70 1.37 -0.23 0.00 -2.44 0.00 0.00 57.07 56.48 2gr6 s TYR 305 Cb -0.43 0.42 0.01 0.00 0.35 0.00 0.00 41.96 42.31 2gr6 s TYR 305 CO 0.50 -0.35 0.75 -2.00 -1.34 0.00 0.00 175.55 173.12 2gr6 s GLU 306 N 1.60 3.75 -0.21 4.97 2.12 -1.26 -0.98 118.70 128.69 2gr6 s GLU 306 Ca -0.08 0.27 -0.00 0.00 0.36 0.00 0.00 54.97 55.52 2gr6 s GLU 306 Cb -0.05 -3.80 0.02 0.00 0.26 0.00 0.00 34.13 30.56 2gr6 s GLU 306 CO -0.16 -0.82 -0.13 0.12 -0.54 0.00 0.00 175.26 173.73 2gr6 s PHE 307 N 3.01 2.90 -1.26 5.30 5.36 0.46 -4.76 117.98 128.99 2gr6 s PHE 307 Ca 0.30 -1.53 -0.13 0.00 -0.96 0.00 0.00 56.93 54.62 2gr6 s PHE 307 Cb -0.13 -1.99 -0.00 0.00 -0.34 0.00 0.00 43.02 40.56 2gr6 s PHE 307 CO 0.16 -0.74 0.62 0.72 -1.46 0.00 0.00 175.22 174.52 2gr6 n HIS 308 N 4.65 -1.76 -1.02 10.12 8.25 -1.26 -1.29 115.22 132.92 2gr6 n HIS 308 Ca -0.19 0.55 -0.01 0.00 -0.26 0.00 0.00 57.72 57.82 2gr6 n HIS 308 Cb 0.49 -3.54 -0.00 0.00 1.12 0.00 0.00 29.99 28.06 2gr6 n HIS 308 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2gr6 n GLY 309 N -1.84 0.26 3.20 -1.41 0.00 -1.26 -4.99 105.19 99.15 2gr6 n GLY 309 Ca -0.19 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 2gr6 n GLY 309 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gr6 s VAL 310 N -1.46 1.97 -0.41 1.61 1.01 -0.41 -5.10 120.40 117.60 2gr6 s VAL 310 Ca 0.00 -0.96 -0.28 0.00 0.00 0.00 0.00 61.98 60.74 2gr6 s VAL 310 Cb 0.00 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.69 2gr6 s VAL 310 CO 0.00 0.54 1.05 -1.10 0.00 0.00 0.00 175.10 175.59 2gr6 s GLN 311 N 0.42 3.81 -0.12 2.72 -1.52 -1.26 -0.40 119.66 123.30 2gr6 s GLN 311 Ca -0.17 0.65 -0.06 0.00 -1.95 0.00 0.00 55.36 53.82 2gr6 s GLN 311 Cb -0.18 -3.85 -0.04 0.00 -0.22 0.00 0.00 33.01 28.73 2gr6 s GLN 311 CO 0.08 -1.15 0.10 -0.51 -0.25 0.00 0.00 175.29 173.56 2gr6 s LEU 312 N 3.96 4.15 -0.10 2.90 1.43 -0.16 -4.90 118.68 125.97 2gr6 s LEU 312 Ca 0.44 0.35 -0.06 0.00 -1.03 0.00 0.00 54.13 53.82 2gr6 s LEU 312 Cb -0.10 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 2gr6 s LEU 312 CO 0.24 0.37 0.15 -0.75 0.23 0.00 0.00 176.35 176.59 2gr6 s LYS 313 N -0.79 3.45 0.12 1.70 2.20 -1.26 -0.92 119.74 124.24 2gr6 s LYS 313 Ca 0.13 -0.16 -0.35 0.00 -0.36 0.00 0.00 55.97 55.23 2gr6 s LYS 313 Cb -0.12 -3.17 -0.16 0.00 -1.51 0.00 0.00 37.83 32.87 2gr6 s LYS 313 CO 0.03 0.76 1.26 1.17 -0.36 0.00 0.00 175.35 178.21 2gr6 n LYS 314 N 1.79 1.14 0.00 4.03 4.81 -1.25 -0.17 118.16 128.51 2gr6 n LYS 314 Ca -0.18 0.41 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 2gr6 n LYS 314 Cb 0.55 -1.99 0.00 0.00 0.02 0.00 0.00 35.03 33.61 2gr6 n LYS 314 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2gr6 n GLY 315 N 2.31 3.27 3.77 3.14 0.00 -0.06 -4.93 105.19 112.69 2gr6 n GLY 315 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2gr6 n GLY 315 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gr6 s ASP 316 N -1.07 6.43 0.05 1.61 -0.00 0.76 -4.66 116.67 119.79 2gr6 s ASP 316 Ca 0.00 2.96 -0.06 0.00 -0.00 0.00 0.00 52.55 55.45 2gr6 s ASP 316 Cb 0.00 -2.66 -0.05 0.00 -0.00 0.00 0.00 42.92 40.21 2gr6 s ASP 316 CO 0.00 -0.82 0.30 -1.10 -0.00 0.00 0.00 175.17 173.55 2gr6 s GLN 317 N -1.70 3.59 -0.08 8.23 -0.21 -1.26 -1.03 119.66 127.20 2gr6 s GLN 317 Ca 0.54 -0.09 -0.02 0.00 0.02 0.00 0.00 55.36 55.82 2gr6 s GLN 317 Cb -0.45 -3.02 0.03 0.00 1.00 0.00 0.00 33.01 30.57 2gr6 s GLN 317 CO 0.58 0.60 0.03 -1.50 -2.12 0.00 0.00 175.29 172.88 2gr6 s ILE 318 N -1.40 0.21 -0.13 1.08 2.07 -0.10 -1.14 121.20 121.79 2gr6 s ILE 318 Ca 0.31 0.15 -0.29 0.00 -1.41 0.00 0.00 60.65 59.41 2gr6 s ILE 318 Cb -0.13 -0.45 -0.01 0.00 0.13 0.00 0.00 42.46 42.00 2gr6 s ILE 318 CO 0.19 0.17 1.01 -0.22 -1.91 0.00 0.00 174.94 174.18 2gr6 s LEU 319 N 2.03 4.21 -0.70 8.50 2.96 0.09 -1.18 118.68 134.60 2gr6 s LEU 319 Ca 0.04 1.49 0.03 0.00 -0.22 0.00 0.00 54.13 55.47 2gr6 s LEU 319 Cb -0.13 -3.54 0.17 0.00 0.50 0.00 0.00 46.19 43.19 2gr6 s LEU 319 CO -0.05 -0.49 0.50 -0.76 -1.32 0.00 0.00 176.35 174.22 2gr6 s LEU 320 N 2.27 4.91 -0.68 -0.68 1.43 -0.61 -1.75 118.68 123.56 2gr6 s LEU 320 Ca 0.47 -3.57 -0.25 0.00 -1.03 0.00 0.00 54.13 49.74 2gr6 s LEU 320 Cb -0.17 -1.71 -0.13 0.00 0.03 0.00 0.00 46.19 44.20 2gr6 s LEU 320 CO 0.15 -0.16 2.43 -2.65 0.23 0.00 0.00 176.35 176.35 2gr6 n PRO 321 N 2.40 0.70 -0.25 1.29 -0.02 -1.26 -4.29 135.00 133.57 2gr6 n PRO 321 Ca 0.16 -0.30 0.24 0.00 -2.02 0.00 0.00 63.50 61.58 2gr6 n PRO 321 Cb 0.35 -3.18 0.59 0.00 -0.02 0.00 0.00 33.50 31.24 2gr6 n PRO 321 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2gr6 h GLN 322 N 15.89 0.25 -0.85 -0.52 7.50 -1.81 0.81 115.11 136.39 2gr6 h GLN 322 Ca -0.12 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.02 2gr6 h GLN 322 Cb 1.17 -0.06 -0.04 0.00 0.05 0.00 0.00 27.48 28.60 2gr6 h GLN 322 CO 1.16 0.16 0.53 1.98 -1.50 0.00 0.00 178.83 181.16 2gr6 h MET 323 N 0.25 1.13 0.00 1.46 4.05 -1.61 -3.21 114.93 117.01 2gr6 h MET 323 Ca 0.49 -0.09 -0.07 0.00 -0.28 0.00 0.00 59.70 59.76 2gr6 h MET 323 Cb 1.49 -0.25 -0.01 0.00 -0.80 0.00 0.00 31.60 32.03 2gr6 h MET 323 CO -0.14 0.78 -0.33 -0.07 0.23 0.00 0.00 176.91 177.37 2gr6 h LEU 324 N 1.16 0.00 0.07 3.39 3.38 -1.14 -3.34 115.31 118.82 2gr6 h LEU 324 Ca 0.31 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.30 2gr6 h LEU 324 Cb -0.08 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 2gr6 h LEU 324 CO -0.06 0.33 -0.32 0.28 0.09 0.00 0.00 178.44 178.76 2gr6 h SER 325 N 0.00 -0.93 0.94 -0.43 0.02 -1.62 -1.31 113.55 110.22 2gr6 h SER 325 Ca -0.00 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2gr6 h SER 325 Cb 0.79 0.36 0.00 0.00 0.14 0.00 0.00 62.40 63.69 2gr6 h SER 325 CO 0.04 -0.39 0.00 1.23 -1.14 0.00 0.00 176.83 176.57 2gr6 h GLY 326 N -0.51 0.00 0.71 -3.77 0.00 -1.73 -2.00 103.07 95.78 2gr6 h GLY 326 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2gr6 h GLY 326 CO -0.22 0.00 -0.42 1.04 0.00 0.00 0.00 176.54 176.94 2gr6 n LEU 327 N -2.81 0.70 -4.65 3.11 4.77 -0.97 -4.61 117.00 112.52 2gr6 n LEU 327 Ca 0.01 -0.10 -0.43 0.00 -0.03 0.00 0.00 56.01 55.46 2gr6 n LEU 327 Cb 0.28 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 2gr6 n LEU 327 CO 0.25 0.15 1.29 -0.62 -1.33 0.00 0.00 177.39 177.13 2gr6 s ASP 328 N -2.82 6.67 0.48 -1.43 3.68 -0.53 -4.72 116.67 118.00 2gr6 s ASP 328 Ca 0.16 1.93 0.32 0.00 2.13 0.00 0.00 52.55 57.09 2gr6 s ASP 328 Cb 0.18 -2.53 1.67 0.00 -1.45 0.00 0.00 42.92 40.78 2gr6 s ASP 328 CO 0.64 -0.96 1.98 1.05 0.13 0.00 0.00 175.17 178.01 2gr6 h GLU 329 N 9.45 0.00 -0.07 4.34 4.11 -1.87 0.20 114.58 130.74 2gr6 h GLU 329 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.09 2gr6 h GLU 329 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2gr6 h GLU 329 CO 0.97 0.00 0.00 0.54 0.07 0.00 0.00 179.01 180.59 2gr6 n ARG 330 N -2.68 1.30 0.00 1.06 1.74 -1.26 -3.77 116.66 113.06 2gr6 n ARG 330 Ca -0.01 -0.45 0.00 0.00 -0.77 0.00 0.00 57.85 56.61 2gr6 n ARG 330 Cb 0.11 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 2gr6 n ARG 330 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2gr6 n GLU 331 N -0.33 0.00 -3.87 5.56 1.02 0.56 -5.04 120.64 118.53 2gr6 n GLU 331 Ca 0.15 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 57.08 2gr6 n GLU 331 Cb 0.18 -0.90 -0.17 0.00 -0.02 0.00 0.00 31.44 30.52 2gr6 n GLU 331 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2gr6 s ASN 332 N -4.12 1.24 0.59 1.62 0.01 -0.43 -4.77 114.94 109.08 2gr6 s ASN 332 Ca 0.00 -0.07 -0.19 0.00 -0.71 0.00 0.00 52.86 51.89 2gr6 s ASN 332 Cb 0.00 -0.39 -0.04 0.00 0.41 0.00 0.00 41.25 41.23 2gr6 s ASN 332 CO 0.00 -0.15 1.21 0.00 -1.51 0.00 0.00 177.10 176.64 2gr6 s ALA 333 N 1.61 2.56 -1.30 0.60 0.00 -1.26 -2.79 121.76 121.18 2gr6 s ALA 333 Ca -0.01 1.01 -0.18 0.00 0.00 0.00 0.00 51.96 52.78 2gr6 s ALA 333 Cb -0.13 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.56 2gr6 s ALA 333 CO -0.03 -1.15 0.53 0.00 0.00 0.00 0.00 175.76 175.11 2gr6 n ALA 334 N -1.56 -2.37 -0.20 0.00 0.00 -1.26 -4.82 120.51 110.29 2gr6 n ALA 334 Ca 0.14 -0.41 0.15 0.00 0.00 0.00 0.00 53.44 53.31 2gr6 n ALA 334 Cb 0.50 -2.43 0.47 0.00 0.00 0.00 0.00 19.45 17.99 2gr6 n ALA 334 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2gr6 h PRO 335 N -2.15 0.47 0.00 0.00 0.13 -1.81 -1.32 132.00 127.32 2gr6 h PRO 335 Ca -0.68 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.42 2gr6 h PRO 335 Cb 1.39 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2gr6 h PRO 335 CO 0.57 0.31 0.00 -1.33 -0.23 0.00 0.00 178.00 177.32 2gr6 n MET 336 N -4.50 0.19 -3.41 0.86 2.81 -1.26 -4.76 117.12 107.05 2gr6 n MET 336 Ca 0.16 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.68 2gr6 n MET 336 Cb 0.54 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.49 2gr6 n MET 336 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 2gr6 s HIS 337 N -2.81 3.54 -0.17 2.03 5.04 -0.50 -5.06 115.29 117.37 2gr6 s HIS 337 Ca 0.20 0.84 -0.21 0.00 -1.54 0.00 0.00 55.06 54.35 2gr6 s HIS 337 Cb 0.19 -2.45 -0.03 0.00 0.04 0.00 0.00 32.58 30.34 2gr6 s HIS 337 CO 0.50 0.28 0.64 0.08 -2.34 0.00 0.00 174.74 173.90 2gr6 s VAL 338 N 0.25 5.02 -0.28 0.89 1.01 -1.26 -5.00 120.40 121.04 2gr6 s VAL 338 Ca 0.23 1.23 -0.03 0.00 0.00 0.00 0.00 61.98 63.41 2gr6 s VAL 338 Cb -0.15 -3.96 0.09 0.00 0.00 0.00 0.00 36.38 32.36 2gr6 s VAL 338 CO 0.09 0.14 0.11 -0.62 0.00 0.00 0.00 175.10 174.82 2gr6 s ASP 339 N 1.11 3.54 0.31 3.32 3.68 -1.26 -4.99 116.67 122.37 2gr6 s ASP 339 Ca 0.30 -1.30 0.21 0.00 2.13 0.00 0.00 52.55 53.89 2gr6 s ASP 339 Cb -0.16 -0.49 1.13 0.00 -1.45 0.00 0.00 42.92 41.94 2gr6 s ASP 339 CO 0.11 -0.42 1.64 0.49 0.13 0.00 0.00 175.17 177.13 2gr6 n PHE 340 N 5.13 0.71 -0.28 -5.34 3.72 -1.26 -1.21 117.46 118.93 2gr6 n PHE 340 Ca -0.05 0.37 0.11 0.00 -0.05 0.00 0.00 57.45 57.82 2gr6 n PHE 340 Cb 0.43 -1.09 0.28 0.00 -0.94 0.00 0.00 39.48 38.16 2gr6 n PHE 340 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2gr6 n SER 341 N -2.23 3.72 -4.66 4.37 7.64 -1.26 -4.50 113.62 116.69 2gr6 n SER 341 Ca -0.01 -1.99 -0.51 0.00 1.01 0.00 0.00 58.87 57.36 2gr6 n SER 341 Cb 0.04 -0.42 -0.06 0.00 -1.01 0.00 0.00 64.21 62.77 2gr6 n SER 341 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2gr6 n ARG 342 N 1.42 1.65 -0.04 1.43 0.63 -0.35 -4.88 116.66 116.53 2gr6 n ARG 342 Ca 0.22 0.60 -0.08 0.00 -0.92 0.00 0.00 57.85 57.67 2gr6 n ARG 342 Cb 0.58 -2.34 -0.02 0.00 0.45 0.00 0.00 32.46 31.14 2gr6 n ARG 342 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 2gr6 h GLN 343 N 6.74 -0.12 -3.47 -0.14 1.08 -1.94 -3.39 115.11 113.88 2gr6 h GLN 343 Ca -0.47 0.01 -0.54 0.00 -1.45 0.00 0.00 58.65 56.20 2gr6 h GLN 343 Cb 1.30 0.03 -0.40 0.00 -0.05 0.00 0.00 27.48 28.35 2gr6 h GLN 343 CO 0.89 -0.08 -0.76 -1.59 -0.95 0.00 0.00 178.83 176.34 2gr6 s LYS 344 N -6.16 0.63 -0.69 1.46 -2.85 -1.26 -5.08 119.74 105.79 2gr6 s LYS 344 Ca -0.14 -0.64 -0.26 0.00 -1.00 0.00 0.00 55.97 53.93 2gr6 s LYS 344 Cb 0.11 -1.97 0.04 0.00 -2.06 0.00 0.00 37.83 33.95 2gr6 s LYS 344 CO 0.68 -0.79 1.17 0.08 0.10 0.00 0.00 175.35 176.59 2gr6 s VAL 345 N 1.81 3.95 -0.20 1.79 1.01 -1.26 -4.96 120.40 122.54 2gr6 s VAL 345 Ca 0.03 0.24 -0.14 0.00 0.00 0.00 0.00 61.98 62.11 2gr6 s VAL 345 Cb -0.17 -4.82 -0.04 0.00 0.00 0.00 0.00 36.38 31.35 2gr6 s VAL 345 CO -0.17 -1.66 0.31 -0.55 0.00 0.00 0.00 175.10 173.03 2gr6 s SER 346 N 3.60 6.36 0.22 3.32 0.15 -1.26 -5.06 113.70 121.03 2gr6 s SER 346 Ca 0.32 0.42 -0.23 0.00 0.70 0.00 0.00 55.95 57.16 2gr6 s SER 346 Cb -0.11 -2.19 0.05 0.00 -1.71 0.00 0.00 66.02 62.07 2gr6 s SER 346 CO 0.15 0.01 0.87 -1.38 1.20 0.00 0.00 173.24 174.09 2gr6 s HIS 347 N 0.99 -0.11 -0.29 3.44 -3.43 -1.26 -4.17 115.29 110.46 2gr6 s HIS 347 Ca 0.16 -0.29 0.19 0.00 -0.80 0.00 0.00 55.06 54.31 2gr6 s HIS 347 Cb -0.14 0.69 0.48 0.00 -1.43 0.00 0.00 32.58 32.18 2gr6 s HIS 347 CO 0.06 -1.04 1.07 0.25 -2.00 0.00 0.00 174.74 173.07 2gr6 n THR 348 N -0.49 1.37 0.06 -5.38 -2.24 -1.26 -4.92 114.28 101.41 2gr6 n THR 348 Ca -0.05 -3.20 -0.01 0.00 -2.27 0.00 0.00 64.05 58.52 2gr6 n THR 348 Cb 0.60 0.73 0.28 0.00 -2.10 0.00 0.00 70.33 69.84 2gr6 n THR 348 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2gr6 h THR 349 N 4.30 1.23 -0.56 4.28 2.02 -1.88 -1.94 112.91 120.37 2gr6 h THR 349 Ca -0.05 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.07 2gr6 h THR 349 Cb 1.25 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 2gr6 h THR 349 CO 0.37 0.33 0.00 0.49 0.37 0.00 0.00 175.52 177.09 2gr6 n PHE 350 N -4.18 1.72 -1.00 3.16 3.72 -1.26 -4.76 117.46 114.85 2gr6 n PHE 350 Ca -0.00 -0.62 0.00 0.00 -0.05 0.00 0.00 57.45 56.77 2gr6 n PHE 350 Cb 0.34 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 2gr6 n PHE 350 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2gr6 n GLY 351 N 0.77 -2.10 3.38 1.37 0.00 -0.73 -0.72 105.19 107.15 2gr6 n GLY 351 Ca 0.25 -1.89 -0.15 0.00 0.00 0.00 0.00 46.02 44.23 2gr6 n GLY 351 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2gr6 s HIS 352 N -0.15 -0.43 0.00 1.61 2.46 -1.26 -4.68 115.29 112.83 2gr6 s HIS 352 Ca 0.00 0.80 0.00 0.00 0.47 0.00 0.00 55.06 56.33 2gr6 s HIS 352 Cb 0.00 0.23 0.00 0.00 -0.13 0.00 0.00 32.58 32.68 2gr6 s HIS 352 CO 0.00 -0.45 0.00 0.41 -2.47 0.00 0.00 174.74 172.23 2gr6 n GLY 353 N 1.41 -0.05 0.00 1.59 0.00 -1.26 -4.30 105.19 102.57 2gr6 n GLY 353 Ca -0.19 -1.50 0.12 0.00 0.00 0.00 0.00 46.02 44.45 2gr6 n GLY 353 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2gr6 n SER 354 N 0.60 0.00 -1.43 1.61 3.41 -1.26 -3.39 113.62 113.16 2gr6 n SER 354 Ca 0.00 0.37 0.02 0.00 -0.26 0.00 0.00 58.87 59.00 2gr6 n SER 354 Cb 0.00 -0.45 0.29 0.00 -0.26 0.00 0.00 64.21 63.79 2gr6 n SER 354 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2gr6 n HIS 355 N -1.45 1.62 -1.55 7.33 -0.00 -1.26 -5.02 115.22 114.88 2gr6 n HIS 355 Ca 0.07 -1.04 -0.51 0.00 -0.00 0.00 0.00 57.72 56.24 2gr6 n HIS 355 Cb 0.26 -0.49 -0.05 0.00 -0.00 0.00 0.00 29.99 29.72 2gr6 n HIS 355 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2gr6 n LEU 356 N -0.29 1.03 -4.60 2.41 4.32 -1.22 -4.72 117.00 113.94 2gr6 n LEU 356 Ca 0.30 1.14 -0.55 0.00 -0.02 0.00 0.00 56.01 56.88 2gr6 n LEU 356 Cb 1.12 -1.13 -0.07 0.00 -1.62 0.00 0.00 43.42 41.71 2gr6 n LEU 356 CO 0.27 -1.50 1.51 0.00 -1.22 0.00 0.00 177.39 176.45 2gr6 h LEU 358 N 9.03 0.00 -2.32 0.00 3.38 -1.91 -2.98 115.31 120.51 2gr6 h LEU 358 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2gr6 h LEU 358 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2gr6 h LEU 358 CO 0.99 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.13 2gr6 n GLY 359 N 0.16 1.83 0.36 0.83 0.00 -1.26 -4.49 105.19 102.62 2gr6 n GLY 359 Ca 0.01 -0.72 0.06 0.00 0.00 0.00 0.00 46.02 45.37 2gr6 n GLY 359 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2gr6 h GLN 360 N 4.17 0.99 -0.46 1.61 3.07 -1.88 0.13 115.11 122.74 2gr6 h GLN 360 Ca 0.00 -0.06 -0.13 0.00 0.09 0.00 0.00 58.65 58.55 2gr6 h GLN 360 Cb 0.93 -0.22 -0.01 0.00 0.08 0.00 0.00 27.48 28.25 2gr6 h GLN 360 CO 0.00 0.65 -0.22 0.45 0.09 0.00 0.00 178.83 179.81 2gr6 h HIS 361 N 1.02 1.07 -0.37 0.06 3.86 -1.85 0.82 115.15 119.76 2gr6 h HIS 361 Ca 0.48 -0.25 -0.14 0.00 -1.16 0.00 0.00 60.37 59.30 2gr6 h HIS 361 Cb 0.43 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 2gr6 h HIS 361 CO -0.01 1.05 -0.31 1.25 0.86 0.00 0.00 177.93 180.77 2gr6 h LEU 362 N 0.81 0.84 0.25 2.43 5.85 -1.60 -2.35 115.31 121.54 2gr6 h LEU 362 Ca 0.11 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 2gr6 h LEU 362 Cb 0.78 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.57 2gr6 h LEU 362 CO 0.06 1.09 -0.12 0.00 -0.34 0.00 0.00 178.44 179.13 2gr6 h ALA 363 N 0.96 -0.33 -0.57 1.25 0.00 -0.45 -1.65 119.26 118.47 2gr6 h ALA 363 Ca 0.07 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.95 2gr6 h ALA 363 Cb 0.86 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 2gr6 h ALA 363 CO 0.08 -0.65 0.26 0.00 0.00 0.00 0.00 179.25 178.94 2gr6 h ARG 364 N -0.41 0.47 -0.23 0.00 3.08 -0.80 -0.63 114.38 115.85 2gr6 h ARG 364 Ca -0.03 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.01 2gr6 h ARG 364 Cb 0.31 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 2gr6 h ARG 364 CO 0.06 0.31 0.06 -0.09 -1.07 0.00 0.00 179.97 179.24 2gr6 h ARG 365 N 0.48 0.16 -0.77 0.04 9.65 -1.33 0.16 114.38 122.77 2gr6 h ARG 365 Ca 0.27 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 59.12 2gr6 h ARG 365 Cb 0.25 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.75 2gr6 h ARG 365 CO -0.22 0.10 0.42 0.93 2.80 0.00 0.00 179.97 184.00 2gr6 h GLU 366 N 0.16 1.06 -0.21 0.20 5.08 -0.64 -1.19 114.58 119.05 2gr6 h GLU 366 Ca 0.10 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 2gr6 h GLU 366 Cb 0.08 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 2gr6 h GLU 366 CO -0.12 0.78 -0.22 0.82 -1.00 0.00 0.00 179.01 179.27 2gr6 h ILE 367 N 1.07 1.33 -0.42 3.13 2.04 -0.68 -2.47 117.51 121.51 2gr6 h ILE 367 Ca 0.27 -1.39 -0.07 0.00 1.00 0.00 0.00 64.86 64.68 2gr6 h ILE 367 Cb 0.03 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 2gr6 h ILE 367 CO -0.04 0.43 0.01 0.40 0.00 0.00 0.00 178.15 178.94 2gr6 h ILE 368 N 0.19 1.26 -0.71 -0.67 2.04 -0.79 -1.35 117.51 117.47 2gr6 h ILE 368 Ca 0.03 -1.01 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 2gr6 h ILE 368 Cb 0.77 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 2gr6 h ILE 368 CO 0.05 0.34 0.37 0.58 0.00 0.00 0.00 178.15 179.50 2gr6 h VAL 369 N 0.58 1.22 0.50 1.67 2.07 -1.28 -1.79 116.25 119.21 2gr6 h VAL 369 Ca 0.12 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 2gr6 h VAL 369 Cb 0.47 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2gr6 h VAL 369 CO 0.02 0.25 -0.24 0.74 0.02 0.00 0.00 177.57 178.36 2gr6 h THR 370 N 1.00 0.43 -0.55 2.57 2.02 -1.11 -1.66 112.91 115.61 2gr6 h THR 370 Ca 0.25 -0.35 0.11 0.00 0.77 0.00 0.00 66.41 67.19 2gr6 h THR 370 Cb 0.06 0.57 -0.11 0.00 -1.74 0.00 0.00 68.15 66.93 2gr6 h THR 370 CO -0.04 0.05 -0.24 -0.07 0.37 0.00 0.00 175.52 175.59 2gr6 h LEU 371 N -0.90 -0.85 0.00 2.58 3.38 -1.07 -0.29 115.31 118.16 2gr6 h LEU 371 Ca -0.07 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2gr6 h LEU 371 Cb 0.60 0.46 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2gr6 h LEU 371 CO 0.11 -0.26 0.00 0.29 0.09 0.00 0.00 178.44 178.67 2gr6 n LYS 372 N -5.43 0.00 -0.17 1.13 5.02 -0.69 -2.07 118.16 115.96 2gr6 n LYS 372 Ca 0.05 0.53 0.20 0.00 -2.02 0.00 0.00 58.31 57.07 2gr6 n LYS 372 Cb 0.34 -1.43 0.59 0.00 -0.02 0.00 0.00 35.03 34.50 2gr6 n LYS 372 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2gr6 h GLU 373 N 0.00 0.24 0.02 1.97 4.39 -1.20 -0.76 114.58 119.25 2gr6 h GLU 373 Ca 0.00 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 2gr6 h GLU 373 Cb 0.00 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2gr6 h GLU 373 CO 0.00 0.16 -0.01 2.35 -1.16 0.00 0.00 179.01 180.35 2gr6 h TRP 374 N 0.25 -0.02 0.00 4.33 2.91 -1.06 -2.97 115.95 119.39 2gr6 h TRP 374 Ca 0.40 -0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.39 2gr6 h TRP 374 Cb 1.17 0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 29.82 2gr6 h TRP 374 CO -0.00 0.72 -0.10 -0.07 -1.03 0.00 0.00 178.44 177.95 2gr6 h LEU 375 N -0.81 0.00 -0.70 0.65 3.38 -1.10 1.31 115.31 118.04 2gr6 h LEU 375 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2gr6 h LEU 375 Cb 0.75 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2gr6 h LEU 375 CO 0.00 0.10 -0.53 0.74 0.09 0.00 0.00 178.44 178.85 2gr6 h THR 376 N 0.00 1.35 0.00 0.22 2.02 -1.18 -2.94 112.91 112.37 2gr6 h THR 376 Ca -0.00 -1.79 -0.28 0.00 0.77 0.00 0.00 66.41 65.11 2gr6 h THR 376 Cb 0.24 1.84 -0.05 0.00 -1.74 0.00 0.00 68.15 68.43 2gr6 h THR 376 CO 0.01 0.54 -2.04 0.54 0.37 0.00 0.00 175.52 174.95 2gr6 n ARG 377 N -3.94 1.44 -3.27 6.66 1.74 -0.66 -4.65 116.66 113.97 2gr6 n ARG 377 Ca -0.02 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.81 2gr6 n ARG 377 Cb 0.57 -1.39 -0.07 0.00 -1.02 0.00 0.00 32.46 30.55 2gr6 n ARG 377 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2gr6 n ILE 378 N -2.61 0.29 0.24 0.55 5.41 0.44 -2.22 119.36 121.46 2gr6 n ILE 378 Ca -0.25 -4.40 0.09 0.00 1.00 0.00 0.00 62.75 59.19 2gr6 n ILE 378 Cb 0.98 -2.00 0.60 0.00 -0.71 0.00 0.00 39.64 38.50 2gr6 n ILE 378 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2gr6 h PRO 379 N 4.08 0.00 -5.15 0.38 0.13 -1.65 -3.40 132.00 126.39 2gr6 h PRO 379 Ca 0.11 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.57 2gr6 h PRO 379 Cb 0.81 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.60 2gr6 h PRO 379 CO 0.58 0.18 -0.86 0.34 -0.23 0.00 0.00 178.00 178.01 2gr6 s ASP 380 N -6.54 3.21 -0.07 1.44 3.68 -1.26 -4.82 116.67 112.30 2gr6 s ASP 380 Ca -0.03 -0.60 -0.30 0.00 2.13 0.00 0.00 52.55 53.75 2gr6 s ASP 380 Cb 0.14 -1.48 0.09 0.00 -1.45 0.00 0.00 42.92 40.22 2gr6 s ASP 380 CO 0.64 0.05 0.78 0.72 0.13 0.00 0.00 175.17 177.50 2gr6 s PHE 381 N 0.97 -0.56 0.31 -5.34 -0.12 -1.26 -4.66 117.98 107.32 2gr6 s PHE 381 Ca -0.03 0.92 0.03 0.00 -0.05 0.00 0.00 56.93 57.80 2gr6 s PHE 381 Cb -0.15 0.43 -0.05 0.00 -0.63 0.00 0.00 43.02 42.62 2gr6 s PHE 381 CO -0.05 -0.53 0.09 -1.12 -0.05 0.00 0.00 175.22 173.55 2gr6 s SER 382 N -1.26 1.86 0.29 1.98 0.01 -0.57 -4.65 113.70 111.38 2gr6 s SER 382 Ca -0.07 -1.43 -0.27 0.00 1.31 0.00 0.00 55.95 55.49 2gr6 s SER 382 Cb -0.00 0.12 -0.10 0.00 0.21 0.00 0.00 66.02 66.25 2gr6 s SER 382 CO 0.06 -0.72 0.94 -0.63 0.41 0.00 0.00 173.24 173.31 2gr6 s ILE 383 N -3.50 4.15 0.13 1.44 1.01 -1.26 -1.17 121.20 122.00 2gr6 s ILE 383 Ca 0.36 1.91 -0.35 0.00 0.00 0.00 0.00 60.65 62.57 2gr6 s ILE 383 Cb 0.07 -4.12 -0.16 0.00 0.01 0.00 0.00 42.46 38.26 2gr6 s ILE 383 CO 0.15 0.26 1.22 0.00 0.00 0.00 0.00 174.94 176.58 2gr6 n ALA 384 N 0.88 -0.98 -1.65 9.38 0.00 0.07 -4.74 120.51 123.47 2gr6 n ALA 384 Ca 0.01 0.49 -0.48 0.00 0.00 0.00 0.00 53.44 53.46 2gr6 n ALA 384 Cb 0.49 -2.03 -0.05 0.00 0.00 0.00 0.00 19.45 17.86 2gr6 n ALA 384 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2gr6 n PRO 385 N 2.04 1.89 -0.08 0.00 -0.04 -1.26 -1.89 135.00 135.67 2gr6 n PRO 385 Ca 0.17 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.31 2gr6 n PRO 385 Cb 0.22 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 2gr6 n PRO 385 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2gr6 n GLY 386 N 3.19 2.76 3.67 0.55 0.00 -1.26 -4.99 105.19 109.12 2gr6 n GLY 386 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2gr6 n GLY 386 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gr6 s ALA 387 N -3.02 3.67 -0.64 4.61 0.00 -0.79 -4.95 121.76 120.63 2gr6 s ALA 387 Ca 0.00 1.34 -0.20 0.00 0.00 0.00 0.00 51.96 53.10 2gr6 s ALA 387 Cb 0.00 -3.79 0.10 0.00 0.00 0.00 0.00 23.12 19.42 2gr6 s ALA 387 CO 0.00 -1.38 0.82 -0.65 0.00 0.00 0.00 175.76 174.55 2gr6 s GLN 388 N 3.59 3.12 0.02 0.00 -1.52 -1.26 -4.98 119.66 118.62 2gr6 s GLN 388 Ca 0.83 -1.22 -0.30 0.00 -1.95 0.00 0.00 55.36 52.72 2gr6 s GLN 388 Cb -0.43 -4.30 -0.06 0.00 -0.22 0.00 0.00 33.01 28.00 2gr6 s GLN 388 CO 0.38 -1.64 1.35 0.42 -0.25 0.00 0.00 175.29 175.54 2gr6 s ILE 389 N 3.08 3.75 -0.20 1.08 -1.09 -1.26 -5.01 121.20 121.54 2gr6 s ILE 389 Ca 0.16 1.17 -0.05 0.00 -2.23 0.00 0.00 60.65 59.70 2gr6 s ILE 389 Cb -0.20 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 36.90 2gr6 s ILE 389 CO 0.06 0.03 0.01 -1.10 -1.23 0.00 0.00 174.94 172.71 2gr6 s GLN 390 N 1.97 3.66 0.29 2.79 -0.21 -1.26 -5.01 119.66 121.89 2gr6 s GLN 390 Ca 0.62 -0.50 0.04 0.00 0.02 0.00 0.00 55.36 55.55 2gr6 s GLN 390 Cb -0.31 -3.11 -0.03 0.00 1.00 0.00 0.00 33.01 30.56 2gr6 s GLN 390 CO 0.27 0.03 0.43 -1.01 -2.12 0.00 0.00 175.29 172.89 2gr6 s HIS 391 N 0.96 3.39 -0.00 0.91 3.76 -1.26 -0.75 115.29 122.31 2gr6 s HIS 391 Ca 0.02 0.03 0.04 0.00 -0.15 0.00 0.00 55.06 55.00 2gr6 s HIS 391 Cb -0.14 -1.74 -0.01 0.00 1.11 0.00 0.00 32.58 31.80 2gr6 s HIS 391 CO 0.02 0.27 -0.14 0.21 -0.85 0.00 0.00 174.74 174.25 2gr6 s LYS 392 N -4.10 1.12 0.10 1.40 2.36 0.47 -4.85 119.74 116.23 2gr6 s LYS 392 Ca 0.38 -0.55 0.06 0.00 -2.55 0.00 0.00 55.97 53.30 2gr6 s LYS 392 Cb -0.09 -1.09 -0.04 0.00 -1.05 0.00 0.00 37.83 35.55 2gr6 s LYS 392 CO 0.31 0.30 -0.04 0.45 1.55 0.00 0.00 175.35 177.92 2gr6 s SER 393 N -0.46 4.79 0.00 1.43 0.15 -1.26 -0.72 113.70 117.63 2gr6 s SER 393 Ca 0.05 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.44 2gr6 s SER 393 Cb -0.06 -1.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.19 2gr6 s SER 393 CO -0.00 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.22 2gr6 n GLY 394 N 0.57 -0.59 0.36 9.45 0.00 -1.13 -4.48 105.19 109.37 2gr6 n GLY 394 Ca -0.12 -0.65 0.07 0.00 0.00 0.00 0.00 46.02 45.32 2gr6 n GLY 394 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2gr6 h ILE 395 N 0.00 1.00 -3.23 -0.61 1.08 -1.64 -3.35 117.51 110.75 2gr6 h ILE 395 Ca 0.00 -0.28 -0.49 0.00 -0.39 0.00 0.00 64.86 63.70 2gr6 h ILE 395 Cb 0.00 0.11 -0.38 0.00 -3.07 0.00 0.00 36.82 33.48 2gr6 h ILE 395 CO 0.00 0.15 -0.78 -0.69 -0.69 0.00 0.00 178.15 176.13 2gr6 s VAL 396 N -5.73 0.75 0.57 1.67 1.01 -1.26 0.03 120.40 117.42 2gr6 s VAL 396 Ca -0.10 -0.19 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 2gr6 s VAL 396 Cb 0.20 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 2gr6 s VAL 396 CO 0.78 0.25 0.94 -0.44 0.00 0.00 0.00 175.10 176.63 2gr6 s SER 397 N 1.81 6.25 0.30 3.32 0.01 -0.35 -4.64 113.70 120.40 2gr6 s SER 397 Ca 0.04 1.23 -0.08 0.00 1.31 0.00 0.00 55.95 58.45 2gr6 s SER 397 Cb -0.13 -2.38 0.03 0.00 0.21 0.00 0.00 66.02 63.75 2gr6 s SER 397 CO -0.07 -0.76 0.53 0.61 0.41 0.00 0.00 173.24 173.96 2gr6 n GLY 398 N -2.55 1.62 3.39 3.44 0.00 0.11 -4.82 105.19 106.37 2gr6 n GLY 398 Ca 0.04 -1.34 -0.33 0.00 0.00 0.00 0.00 46.02 44.39 2gr6 n GLY 398 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gr6 s VAL 399 N -2.46 3.30 0.07 1.61 1.01 -1.26 -0.40 120.40 122.26 2gr6 s VAL 399 Ca 0.16 -0.56 -0.20 0.00 0.00 0.00 0.00 61.98 61.38 2gr6 s VAL 399 Cb -0.03 -2.42 -0.11 0.00 0.00 0.00 0.00 36.38 33.82 2gr6 s VAL 399 CO 0.12 0.50 1.50 -0.61 0.00 0.00 0.00 175.10 176.61 2gr6 h GLN 400 N 6.96 0.32 -1.98 2.72 4.15 -1.27 -3.47 115.11 122.55 2gr6 h GLN 400 Ca -0.30 -0.10 -0.05 0.00 0.77 0.00 0.00 58.65 58.97 2gr6 h GLN 400 Cb 1.20 -0.03 -0.20 0.00 0.21 0.00 0.00 27.48 28.66 2gr6 h GLN 400 CO 0.58 0.53 0.19 0.00 -1.93 0.00 0.00 178.83 178.21 2gr6 s ALA 401 N -4.98 -1.78 -0.38 3.38 0.00 -1.26 -4.97 121.76 111.76 2gr6 s ALA 401 Ca -0.14 1.53 0.01 0.00 0.00 0.00 0.00 51.96 53.36 2gr6 s ALA 401 Cb 0.06 -0.36 0.14 0.00 0.00 0.00 0.00 23.12 22.96 2gr6 s ALA 401 CO 0.73 -0.36 0.22 -1.17 0.00 0.00 0.00 175.76 175.18 2gr6 s LEU 402 N -0.75 1.61 -0.11 0.00 0.20 -1.26 -4.60 118.68 113.77 2gr6 s LEU 402 Ca -0.07 -2.34 -0.30 0.00 0.69 0.00 0.00 54.13 52.10 2gr6 s LEU 402 Cb -0.01 -0.63 -0.02 0.00 -0.43 0.00 0.00 46.19 45.10 2gr6 s LEU 402 CO 0.07 -0.29 1.08 -2.16 -0.29 0.00 0.00 176.35 174.76 2gr6 s PRO 403 N 0.81 4.37 0.02 0.98 0.04 -1.26 -0.95 135.00 139.01 2gr6 s PRO 403 Ca 0.18 1.48 0.08 0.00 0.04 0.00 0.00 61.00 62.79 2gr6 s PRO 403 Cb -0.24 -3.57 -0.03 0.00 0.04 0.00 0.00 34.50 30.71 2gr6 s PRO 403 CO 0.01 -0.41 -0.25 -0.51 0.04 0.00 0.00 177.00 175.88 2gr6 s LEU 404 N 2.28 2.18 0.17 -3.56 1.43 -0.36 -0.75 118.68 120.08 2gr6 s LEU 404 Ca 0.50 -0.52 0.07 0.00 -1.03 0.00 0.00 54.13 53.15 2gr6 s LEU 404 Cb -0.20 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 2gr6 s LEU 404 CO 0.18 0.28 -0.13 0.68 0.23 0.00 0.00 176.35 177.59 2gr6 s VAL 405 N -0.74 1.52 -0.13 -1.59 -7.23 -0.32 -1.62 120.40 110.29 2gr6 s VAL 405 Ca 0.11 -2.09 -0.31 0.00 -1.81 0.00 0.00 61.98 57.89 2gr6 s VAL 405 Cb -0.10 -1.91 0.13 0.00 0.56 0.00 0.00 36.38 35.06 2gr6 s VAL 405 CO 0.01 -0.61 1.05 -1.66 -0.31 0.00 0.00 175.10 173.58 2gr6 s TRP 406 N -2.93 -0.27 -0.28 2.82 -2.14 0.10 -1.50 118.94 114.74 2gr6 s TRP 406 Ca 0.19 0.31 -0.23 0.00 2.66 0.00 0.00 56.10 59.03 2gr6 s TRP 406 Cb -0.01 0.50 -0.00 0.00 -3.10 0.00 0.00 33.47 30.86 2gr6 s TRP 406 CO 0.04 -0.34 0.77 0.34 -2.66 0.00 0.00 176.95 175.10 2gr6 s ASP 407 N -1.79 6.69 0.46 -2.66 3.68 -1.26 -4.31 116.67 117.48 2gr6 s ASP 407 Ca 0.04 0.76 0.17 0.00 2.13 0.00 0.00 52.55 55.65 2gr6 s ASP 407 Cb -0.01 -2.40 1.14 0.00 -1.45 0.00 0.00 42.92 40.20 2gr6 s ASP 407 CO -0.04 -0.54 2.00 -0.65 0.13 0.00 0.00 175.17 176.07 2gr6 h PRO 408 N 7.97 0.27 -0.12 4.34 0.11 -1.85 -1.53 132.00 141.18 2gr6 h PRO 408 Ca -0.24 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.88 2gr6 h PRO 408 Cb 1.10 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 2gr6 h PRO 408 CO 0.86 0.18 0.11 0.00 -0.21 0.00 0.00 178.00 178.93 2gr6 h ALA 409 N 1.74 1.84 -0.01 -0.75 0.00 -1.94 -0.52 119.26 119.62 2gr6 h ALA 409 Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2gr6 h ALA 409 Cb 0.59 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2gr6 h ALA 409 CO -0.05 -0.17 -0.05 0.25 0.00 0.00 0.00 179.25 179.23 2gr6 n THR 410 N -4.07 0.00 -2.74 0.00 -2.24 -0.58 -4.91 114.28 99.75 2gr6 n THR 410 Ca -0.00 -0.19 -0.21 0.00 -2.27 0.00 0.00 64.05 61.39 2gr6 n THR 410 Cb 0.22 0.32 0.03 0.00 -2.10 0.00 0.00 70.33 68.80 2gr6 n THR 410 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2gr6 s THR 411 N -2.13 2.87 -0.12 4.28 -4.23 -0.20 -4.74 115.64 111.37 2gr6 s THR 411 Ca 0.36 -0.70 -0.06 0.00 -1.18 0.00 0.00 61.69 60.11 2gr6 s THR 411 Cb 0.21 -3.05 0.05 0.00 1.34 0.00 0.00 72.50 71.04 2gr6 s THR 411 CO 0.38 -0.04 0.28 -1.59 -0.54 0.00 0.00 174.62 173.11 2gr6 s LYS 412 N -4.67 0.24 0.60 3.99 -2.85 -0.94 -5.06 119.74 111.05 2gr6 s LYS 412 Ca 0.56 0.59 -0.11 0.00 -1.00 0.00 0.00 55.97 56.01 2gr6 s LYS 412 Cb -0.10 -0.10 -0.04 0.00 -2.06 0.00 0.00 37.83 35.53 2gr6 s LYS 412 CO 0.37 -0.17 1.01 0.00 0.10 0.00 0.00 175.35 176.67 2gr6 s ALA 413 N 1.33 3.12 0.00 0.59 0.00 -1.26 -4.35 121.76 121.19 2gr6 s ALA 413 Ca -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.78 2gr6 s ALA 413 Cb -0.10 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.97 2gr6 s ALA 413 CO -0.09 -0.63 0.47 0.28 0.00 0.00 0.00 175.76 175.78