#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gjm s LEU 11 N 0.00 2.73 0.20 1.20 1.43 -1.26 -4.29 118.68 118.69 1gjm s LEU 11 Ca 0.00 -0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 52.36 1gjm s LEU 11 Cb 0.00 -1.68 -0.08 0.00 0.03 0.00 0.00 46.19 44.46 1gjm s LEU 11 CO 0.00 -0.00 1.17 0.00 0.23 0.00 0.00 176.35 177.75 1gjm s ALA 12 N 1.34 3.42 0.18 4.21 0.00 0.21 -4.95 121.76 126.17 1gjm s ALA 12 Ca 0.04 0.92 -0.33 0.00 0.00 0.00 0.00 51.96 52.60 1gjm s ALA 12 Cb -0.14 -3.39 -0.15 0.00 0.00 0.00 0.00 23.12 19.43 1gjm s ALA 12 CO -0.05 -0.32 1.25 -0.35 0.00 0.00 0.00 175.76 176.30 1gjm n PRO 13 N 2.30 1.39 -1.78 0.00 -0.04 -1.26 -4.77 135.00 130.85 1gjm n PRO 13 Ca 0.03 0.50 -0.42 0.00 -0.04 0.00 0.00 63.50 63.57 1gjm n PRO 13 Cb 0.45 -2.06 -0.03 0.00 -0.04 0.00 0.00 33.50 31.82 1gjm n PRO 13 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1gjm s LEU 14 N 0.53 4.40 0.49 1.53 2.96 -1.26 -4.96 118.68 122.37 1gjm s LEU 14 Ca 0.74 2.60 -0.24 0.00 -0.22 0.00 0.00 54.13 57.01 1gjm s LEU 14 Cb -0.81 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 42.26 1gjm s LEU 14 CO 0.50 -0.99 1.41 -2.65 -1.32 0.00 0.00 176.35 173.30 1gjm n PRO 15 N 6.63 2.04 -0.16 0.98 -0.02 -1.26 -4.91 135.00 138.30 1gjm n PRO 15 Ca 0.18 0.73 0.19 0.00 -2.02 0.00 0.00 63.50 62.59 1gjm n PRO 15 Cb 0.40 -2.62 0.58 0.00 -0.02 0.00 0.00 33.50 31.84 1gjm n PRO 15 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1gjm h PRO 16 N 1.94 0.26 0.00 0.52 0.11 -2.04 -2.00 132.00 130.79 1gjm h PRO 16 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1gjm h PRO 16 Cb 1.28 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1gjm h PRO 16 CO 0.59 0.17 0.00 -2.39 -0.21 0.00 0.00 178.00 176.17 1gjm n HIS 17 N -4.44 0.66 -3.19 0.65 1.44 -1.26 -4.80 115.22 104.28 1gjm n HIS 17 Ca 0.15 0.19 -0.39 0.00 -2.01 0.00 0.00 57.72 55.66 1gjm n HIS 17 Cb 0.66 -0.82 -0.06 0.00 0.12 0.00 0.00 29.99 29.89 1gjm n HIS 17 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1gjm s VAL 18 N -3.08 5.08 0.35 0.61 1.01 -0.75 -4.91 120.40 118.71 1gjm s VAL 18 Ca 0.11 1.09 -0.27 0.00 0.00 0.00 0.00 61.98 62.91 1gjm s VAL 18 Cb 0.14 -3.90 -0.09 0.00 0.00 0.00 0.00 36.38 32.53 1gjm s VAL 18 CO 0.57 0.17 1.20 -2.84 0.00 0.00 0.00 175.10 174.20 1gjm s PRO 19 N 1.56 4.27 0.43 2.72 0.02 -1.26 -4.85 135.00 137.89 1gjm s PRO 19 Ca 0.27 1.96 0.11 0.00 0.02 0.00 0.00 61.00 63.37 1gjm s PRO 19 Cb -0.16 -2.91 0.95 0.00 0.02 0.00 0.00 34.50 32.40 1gjm s PRO 19 CO 0.11 -0.17 2.01 1.49 -0.33 0.00 0.00 177.00 180.11 1gjm h GLU 20 N 3.13 0.20 0.00 5.54 4.57 -1.97 -2.29 114.58 123.75 1gjm h GLU 20 Ca -0.48 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 1gjm h GLU 20 Cb 1.23 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1gjm h GLU 20 CO 0.64 0.25 0.00 -2.39 -1.18 0.00 0.00 179.01 176.33 1gjm n HIS 21 N -4.38 0.06 0.51 0.92 1.44 -1.26 -1.97 115.22 110.53 1gjm n HIS 21 Ca -0.01 0.02 0.12 0.00 -2.01 0.00 0.00 57.72 55.84 1gjm n HIS 21 Cb 0.18 -0.54 0.17 0.00 0.12 0.00 0.00 29.99 29.93 1gjm n HIS 21 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1gjm n LEU 22 N -1.56 3.28 -4.72 2.39 4.77 -0.86 -4.93 117.00 115.37 1gjm n LEU 22 Ca 0.03 -1.35 -0.41 0.00 -0.03 0.00 0.00 56.01 54.25 1gjm n LEU 22 Cb 0.17 -0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 1gjm n LEU 22 CO 0.14 0.66 0.75 -0.69 -1.33 0.00 0.00 177.39 176.92 1gjm s VAL 23 N -1.61 4.30 -0.32 4.08 1.01 -0.83 -0.43 120.40 126.59 1gjm s VAL 23 Ca 0.34 1.80 0.04 0.00 0.00 0.00 0.00 61.98 64.17 1gjm s VAL 23 Cb 0.21 -4.15 0.17 0.00 0.00 0.00 0.00 36.38 32.61 1gjm s VAL 23 CO 0.30 0.23 0.48 0.12 0.00 0.00 0.00 175.10 176.23 1gjm s PHE 24 N 0.40 -1.21 -0.80 5.22 2.19 -0.09 -4.87 117.98 118.81 1gjm s PHE 24 Ca 0.51 0.32 -0.23 0.00 0.33 0.00 0.00 56.93 57.86 1gjm s PHE 24 Cb -0.26 -0.01 -0.16 0.00 -1.31 0.00 0.00 43.02 41.28 1gjm s PHE 24 CO 0.31 -1.04 1.91 -0.25 1.83 0.00 0.00 175.22 177.98 1gjm n ASP 25 N 5.06 2.53 -4.75 6.13 8.00 -1.26 -3.86 116.55 128.39 1gjm n ASP 25 Ca 0.05 -2.67 -0.39 0.00 0.71 0.00 0.00 54.79 52.48 1gjm n ASP 25 Cb 0.51 -1.19 -0.05 0.00 -0.02 0.00 0.00 41.12 40.37 1gjm n ASP 25 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1gjm s PHE 26 N 6.21 3.69 -0.37 1.24 5.36 -1.26 -4.91 117.98 127.95 1gjm s PHE 26 Ca 0.60 1.26 -0.08 0.00 -0.96 0.00 0.00 56.93 57.75 1gjm s PHE 26 Cb 0.12 -2.67 0.05 0.00 -0.34 0.00 0.00 43.02 40.17 1gjm s PHE 26 CO 0.14 0.31 0.17 0.34 -1.46 0.00 0.00 175.22 174.71 1gjm s ASP 27 N -0.08 5.49 0.51 6.13 -1.08 -1.26 -4.57 116.67 121.81 1gjm s ASP 27 Ca 0.33 -1.21 0.34 0.00 -0.52 0.00 0.00 52.55 51.49 1gjm s ASP 27 Cb -0.19 -1.93 1.62 0.00 -1.46 0.00 0.00 42.92 40.96 1gjm s ASP 27 CO 0.19 -0.40 2.03 0.00 0.52 0.00 0.00 175.17 177.51 1gjm h MET 28 N 8.31 0.00 -0.01 4.34 -0.00 -1.96 -0.86 114.93 124.75 1gjm h MET 28 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.47 1gjm h MET 28 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.69 1gjm h MET 28 CO 0.66 0.00 -0.66 0.66 -0.00 0.00 0.00 176.91 177.57 1gjm n TYR 29 N -2.85 0.00 -2.72 -0.10 4.01 -1.26 -2.43 117.16 111.81 1gjm n TYR 29 Ca -0.01 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.66 1gjm n TYR 29 Cb 0.19 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.29 1gjm n TYR 29 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1gjm n ASN 30 N -0.54 -2.30 -4.74 7.72 4.05 -0.92 -4.54 115.26 113.99 1gjm n ASN 30 Ca 0.07 -2.96 -0.40 0.00 0.45 0.00 0.00 54.58 51.74 1gjm n ASN 30 Cb 0.42 1.58 0.02 0.00 1.23 0.00 0.00 39.78 43.02 1gjm n ASN 30 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1gjm n PRO 31 N 1.21 2.12 -0.32 1.20 -0.04 -0.37 -4.65 135.00 134.14 1gjm n PRO 31 Ca 0.05 0.75 0.17 0.00 -0.04 0.00 0.00 63.50 64.44 1gjm n PRO 31 Cb 0.67 -2.54 0.37 0.00 -0.04 0.00 0.00 33.50 31.96 1gjm n PRO 31 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1gjm h SER 32 N 2.18 0.43 -0.79 3.54 0.02 -1.92 -2.69 113.55 114.33 1gjm h SER 32 Ca -0.50 0.16 -0.55 0.00 -0.84 0.00 0.00 61.79 60.07 1gjm h SER 32 Cb 1.28 0.12 -0.33 0.00 0.14 0.00 0.00 62.40 63.61 1gjm h SER 32 CO 0.60 -0.03 -0.09 0.59 -1.14 0.00 0.00 176.83 176.77 1gjm n ASN 33 N -5.03 5.56 0.01 3.07 3.02 -1.26 -4.77 115.26 115.87 1gjm n ASN 33 Ca 0.26 -3.77 0.22 0.00 -0.03 0.00 0.00 54.58 51.26 1gjm n ASN 33 Cb 0.77 -0.62 0.73 0.00 -0.61 0.00 0.00 39.78 40.05 1gjm n ASN 33 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1gjm h LEU 34 N 1.93 0.00 -2.05 3.41 5.85 -1.75 -1.33 115.31 121.38 1gjm h LEU 34 Ca 0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.16 1gjm h LEU 34 Cb 1.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.35 1gjm h LEU 34 CO 1.01 0.00 0.00 0.77 -0.34 0.00 0.00 178.44 179.88 1gjm h SER 35 N 0.00 0.00 0.45 1.25 4.64 -1.88 -1.71 113.55 116.30 1gjm h SER 35 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1gjm h SER 35 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1gjm h SER 35 CO -0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 176.83 175.74 1gjm n ALA 36 N -2.07 2.95 0.00 5.18 0.00 -0.50 -5.01 120.51 121.05 1gjm n ALA 36 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1gjm n ALA 36 Cb 0.20 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1gjm n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gjm n GLY 37 N 1.37 3.26 0.12 0.00 0.00 -0.64 -4.72 105.19 104.58 1gjm n GLY 37 Ca 0.11 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.29 1gjm n GLY 37 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1gjm h VAL 38 N 0.00 1.22 -0.71 1.61 3.04 -1.89 -0.96 116.25 118.57 1gjm h VAL 38 Ca 0.00 -0.73 0.02 0.00 -1.01 0.00 0.00 66.70 64.97 1gjm h VAL 38 Cb 0.00 1.35 -0.04 0.00 -2.01 0.00 0.00 31.29 30.59 1gjm h VAL 38 CO 0.00 0.22 0.47 1.56 -1.01 0.00 0.00 177.57 178.81 1gjm h GLN 39 N 0.10 0.90 -0.48 4.17 7.50 -1.93 -1.55 115.11 123.83 1gjm h GLN 39 Ca 0.06 -0.05 -0.09 0.00 0.50 0.00 0.00 58.65 59.06 1gjm h GLN 39 Cb 0.31 -0.20 -0.02 0.00 0.05 0.00 0.00 27.48 27.62 1gjm h GLN 39 CO 0.00 0.59 -0.06 0.93 -1.50 0.00 0.00 178.83 178.80 1gjm h GLU 40 N 0.93 0.89 -0.50 1.46 3.07 -1.79 -0.28 114.58 118.36 1gjm h GLU 40 Ca 0.27 -0.31 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 1gjm h GLU 40 Cb -0.06 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.76 1gjm h GLU 40 CO -0.06 0.96 0.29 0.00 -1.40 0.00 0.00 179.01 178.79 1gjm h ALA 41 N 0.90 0.63 -0.40 3.43 0.00 -0.38 -2.70 119.26 120.74 1gjm h ALA 41 Ca 0.13 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1gjm h ALA 41 Cb 0.60 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1gjm h ALA 41 CO 0.04 0.14 -0.30 -1.49 0.00 0.00 0.00 179.25 177.64 1gjm h TRP 42 N 0.66 1.02 0.00 0.00 4.06 -1.21 -3.04 115.95 117.43 1gjm h TRP 42 Ca 0.18 -0.27 0.00 0.00 2.06 0.00 0.00 58.89 60.86 1gjm h TRP 42 Cb 0.02 -0.23 0.00 0.00 -1.00 0.00 0.00 29.16 27.95 1gjm h TRP 42 CO -0.02 1.06 0.00 0.00 -3.56 0.00 0.00 178.44 175.91 1gjm h ALA 43 N 0.92 1.00 0.00 1.49 0.00 -0.73 -1.11 119.26 120.84 1gjm h ALA 43 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1gjm h ALA 43 Cb 0.86 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1gjm h ALA 43 CO 0.08 0.00 -0.04 0.28 0.00 0.00 0.00 179.25 179.57 1gjm h VAL 44 N 0.00 0.34 0.00 0.00 2.07 -1.39 -1.10 116.25 116.18 1gjm h VAL 44 Ca 0.00 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1gjm h VAL 44 Cb 0.02 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1gjm h VAL 44 CO 0.00 0.04 0.00 -0.07 0.02 0.00 0.00 177.57 177.56 1gjm h LEU 45 N 0.00 0.00 -1.93 2.57 3.38 -1.40 -3.10 115.31 114.83 1gjm h LEU 45 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1gjm h LEU 45 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1gjm h LEU 45 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 1gjm n GLN 46 N -2.96 2.25 -2.17 1.13 6.02 -0.41 -4.79 117.38 116.45 1gjm n GLN 46 Ca 0.01 -1.90 -0.36 0.00 -0.01 0.00 0.00 57.00 54.75 1gjm n GLN 46 Cb 0.29 -1.46 0.01 0.00 1.02 0.00 0.00 30.24 30.10 1gjm n GLN 46 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1gjm s GLU 47 N -1.51 3.24 0.54 -1.09 2.02 -1.17 -4.92 118.70 115.81 1gjm s GLU 47 Ca 0.37 1.70 0.28 0.00 0.02 0.00 0.00 54.97 57.34 1gjm s GLU 47 Cb 0.20 -2.00 1.44 0.00 0.10 0.00 0.00 34.13 33.88 1gjm s GLU 47 CO 0.29 -0.96 1.95 0.66 0.02 0.00 0.00 175.26 177.21 1gjm h SER 48 N 1.13 0.00 0.87 -0.19 4.64 -1.93 0.13 113.55 118.19 1gjm h SER 48 Ca -0.50 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.74 1gjm h SER 48 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 1gjm h SER 48 CO 0.56 0.00 -0.35 -0.55 -0.87 0.00 0.00 176.83 175.62 1gjm h ASN 49 N 0.00 0.00 -3.33 4.97 -1.07 -1.96 -3.44 115.58 110.75 1gjm h ASN 49 Ca 0.31 0.00 -0.58 0.00 0.07 0.00 0.00 56.30 56.10 1gjm h ASN 49 Cb 1.28 0.00 -0.08 0.00 -2.07 0.00 0.00 38.32 37.45 1gjm h ASN 49 CO -0.00 0.35 -0.13 -0.69 0.07 0.00 0.00 177.43 177.03 1gjm s VAL 50 N -3.61 5.18 0.95 6.14 1.01 0.44 -5.06 120.40 125.45 1gjm s VAL 50 Ca 0.00 0.97 -0.11 0.00 0.00 0.00 0.00 61.98 62.84 1gjm s VAL 50 Cb 0.11 -3.83 0.13 0.00 0.00 0.00 0.00 36.38 32.80 1gjm s VAL 50 CO 0.68 0.32 0.96 -2.65 0.00 0.00 0.00 175.10 174.41 1gjm n PRO 51 N 3.69 -0.58 0.28 2.72 -0.02 -1.26 -4.72 135.00 135.11 1gjm n PRO 51 Ca -0.07 -0.11 0.18 0.00 -2.02 0.00 0.00 63.50 61.48 1gjm n PRO 51 Cb 0.52 -2.24 0.76 0.00 -0.02 0.00 0.00 33.50 32.51 1gjm n PRO 51 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1gjm h ASP 52 N -1.89 0.00 -2.75 2.55 5.19 -1.95 -3.40 116.42 114.17 1gjm h ASP 52 Ca -0.44 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 55.72 1gjm h ASP 52 Cb 1.28 0.00 -0.33 0.00 0.18 0.00 0.00 39.33 40.45 1gjm h ASP 52 CO 0.40 0.00 -0.56 -0.22 -3.12 0.00 0.00 179.24 175.74 1gjm s LEU 53 N -6.14 -0.25 0.35 1.55 2.96 -1.26 -1.40 118.68 114.48 1gjm s LEU 53 Ca 0.00 0.35 0.07 0.00 -0.22 0.00 0.00 54.13 54.33 1gjm s LEU 53 Cb 0.09 0.60 -0.07 0.00 0.50 0.00 0.00 46.19 47.32 1gjm s LEU 53 CO 0.52 -0.26 -0.04 0.68 -1.32 0.00 0.00 176.35 175.93 1gjm s VAL 54 N 2.39 1.89 -0.13 1.68 -7.23 -0.96 -4.94 120.40 113.11 1gjm s VAL 54 Ca 0.03 -2.10 0.02 0.00 -1.81 0.00 0.00 61.98 58.13 1gjm s VAL 54 Cb -0.13 -2.73 0.00 0.00 0.56 0.00 0.00 36.38 34.08 1gjm s VAL 54 CO -0.09 -0.14 -0.19 0.86 -0.31 0.00 0.00 175.10 175.22 1gjm s TRP 55 N -2.82 2.69 -0.08 2.82 -0.11 0.43 -1.11 118.94 120.75 1gjm s TRP 55 Ca 0.33 -1.07 -0.01 0.00 1.22 0.00 0.00 56.10 56.57 1gjm s TRP 55 Cb 0.06 -1.81 -0.03 0.00 -1.50 0.00 0.00 33.47 30.19 1gjm s TRP 55 CO 0.16 -0.46 -0.02 -0.08 -4.62 0.00 0.00 176.95 171.93 1gjm s THR 56 N 0.61 4.16 -1.72 5.86 -1.32 -0.24 -0.91 115.64 122.08 1gjm s THR 56 Ca -0.11 -0.30 0.27 0.00 -1.21 0.00 0.00 61.69 60.34 1gjm s THR 56 Cb -0.16 -2.74 0.31 0.00 -1.51 0.00 0.00 72.50 68.40 1gjm s THR 56 CO 0.03 0.60 1.64 0.54 -2.21 0.00 0.00 174.62 175.22 1gjm n ARG 57 N 2.20 0.79 -1.40 7.08 1.74 -1.26 -0.93 116.66 124.87 1gjm n ARG 57 Ca -0.18 -0.42 -0.32 0.00 -0.77 0.00 0.00 57.85 56.16 1gjm n ARG 57 Cb 0.53 -1.49 0.08 0.00 -1.02 0.00 0.00 32.46 30.56 1gjm n ARG 57 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gjm n ASN 59 N -3.20 -1.22 0.00 0.00 3.02 -1.26 -0.84 115.26 111.75 1gjm n ASN 59 Ca 0.09 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 1gjm n ASN 59 Cb 0.53 -2.57 0.00 0.00 -0.61 0.00 0.00 39.78 37.13 1gjm n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gjm n GLY 60 N -1.83 2.45 0.09 7.41 0.00 -1.26 -4.24 105.19 107.81 1gjm n GLY 60 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1gjm n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gjm n GLY 61 N -2.00 -0.45 3.56 -0.02 0.00 -0.02 -4.83 105.19 101.43 1gjm n GLY 61 Ca 0.00 -1.14 -0.07 0.00 0.00 0.00 0.00 46.02 44.81 1gjm n GLY 61 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1gjm s HIS 62 N -0.22 -0.31 0.63 1.61 -3.43 -0.11 -4.76 115.29 108.71 1gjm s HIS 62 Ca 0.00 0.12 -0.09 0.00 -0.80 0.00 0.00 55.06 54.30 1gjm s HIS 62 Cb 0.00 0.56 -0.00 0.00 -1.43 0.00 0.00 32.58 31.71 1gjm s HIS 62 CO 0.00 -0.64 0.99 -1.58 -2.00 0.00 0.00 174.74 171.51 1gjm s TRP 63 N -3.21 3.38 -0.17 0.38 0.52 -0.27 -1.08 118.94 118.49 1gjm s TRP 63 Ca 0.06 0.93 -0.04 0.00 0.02 0.00 0.00 56.10 57.08 1gjm s TRP 63 Cb -0.01 -2.82 0.08 0.00 -1.15 0.00 0.00 33.47 29.57 1gjm s TRP 63 CO -0.07 -0.89 0.24 0.42 0.02 0.00 0.00 176.95 176.67 1gjm s ILE 64 N -3.14 -0.37 -0.15 2.03 1.01 -0.27 -0.83 121.20 119.48 1gjm s ILE 64 Ca 0.55 0.07 -0.28 0.00 0.00 0.00 0.00 60.65 61.00 1gjm s ILE 64 Cb -0.11 -0.57 -0.01 0.00 0.01 0.00 0.00 42.46 41.79 1gjm s ILE 64 CO 0.49 -0.05 0.95 0.00 0.00 0.00 0.00 174.94 176.33 1gjm s ALA 65 N 2.37 3.49 -0.14 9.38 0.00 -0.82 -2.26 121.76 133.78 1gjm s ALA 65 Ca 0.05 0.22 0.20 0.00 0.00 0.00 0.00 51.96 52.44 1gjm s ALA 65 Cb -0.14 -3.38 -0.15 0.00 0.00 0.00 0.00 23.12 19.45 1gjm s ALA 65 CO -0.10 -0.69 0.74 0.25 0.00 0.00 0.00 175.76 175.96 1gjm n THR 66 N 4.73 0.67 -4.15 0.00 -2.24 -0.49 -4.41 114.28 108.38 1gjm n THR 66 Ca 0.08 -0.60 -0.36 0.00 -2.27 0.00 0.00 64.05 60.90 1gjm n THR 66 Cb 0.48 -0.36 -0.08 0.00 -2.10 0.00 0.00 70.33 68.27 1gjm n THR 66 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1gjm s ARG 67 N -3.21 3.17 0.36 -0.78 1.81 -1.25 -4.72 118.95 114.33 1gjm s ARG 67 Ca -0.04 -0.31 0.14 0.00 -1.72 0.00 0.00 55.73 53.80 1gjm s ARG 67 Cb 0.10 -2.96 1.00 0.00 -0.45 0.00 0.00 34.95 32.64 1gjm s ARG 67 CO 0.83 0.73 1.75 0.78 -0.68 0.00 0.00 175.30 178.71 1gjm h GLY 68 N 4.96 1.55 0.97 -3.53 0.00 -1.83 -0.08 103.07 105.12 1gjm h GLY 68 Ca -0.52 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 46.52 1gjm h GLY 68 CO 0.57 -0.19 0.18 -1.61 0.00 0.00 0.00 176.54 175.49 1gjm h GLN 69 N 0.49 0.76 -0.29 4.80 -0.00 -1.95 0.91 115.11 119.83 1gjm h GLN 69 Ca 0.62 -0.15 -0.19 0.00 -0.00 0.00 0.00 58.65 58.93 1gjm h GLN 69 Cb 1.37 -0.12 0.00 0.00 0.00 0.00 0.00 27.48 28.73 1gjm h GLN 69 CO -0.38 0.69 -0.56 -0.07 0.00 0.00 0.00 178.83 178.51 1gjm h LEU 70 N 0.67 0.99 -0.45 -2.39 4.07 -1.65 -1.76 115.31 114.79 1gjm h LEU 70 Ca 0.16 -0.54 -0.00 0.00 0.08 0.00 0.00 57.88 57.58 1gjm h LEU 70 Cb 0.23 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.66 1gjm h LEU 70 CO -0.01 1.34 0.26 0.40 -1.08 0.00 0.00 178.44 179.35 1gjm h ILE 71 N 0.68 1.15 -0.37 1.22 2.04 -0.81 -0.91 117.51 120.51 1gjm h ILE 71 Ca 0.01 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.47 1gjm h ILE 71 Cb 1.17 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1gjm h ILE 71 CO 0.12 0.15 0.07 0.03 0.00 0.00 0.00 178.15 178.53 1gjm h ARG 72 N 0.60 0.61 -0.42 2.37 3.08 -0.80 -2.50 114.38 117.32 1gjm h ARG 72 Ca 0.16 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1gjm h ARG 72 Cb 0.02 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1gjm h ARG 72 CO -0.03 0.67 0.25 1.49 -1.07 0.00 0.00 179.97 181.28 1gjm h GLU 73 N 0.46 0.57 -0.71 0.04 4.81 -1.12 -2.24 114.58 116.39 1gjm h GLU 73 Ca 0.12 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 1gjm h GLU 73 Cb 0.34 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 1gjm h GLU 73 CO 0.01 0.42 0.16 0.00 -0.73 0.00 0.00 179.01 178.87 1gjm h ALA 74 N 1.11 0.94 0.00 2.92 0.00 -1.10 -2.24 119.26 120.90 1gjm h ALA 74 Ca 0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1gjm h ALA 74 Cb 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1gjm h ALA 74 CO -0.03 0.67 -0.15 1.88 0.00 0.00 0.00 179.25 181.63 1gjm h TYR 75 N 1.08 0.00 0.02 0.00 0.05 -1.23 -2.64 116.97 114.25 1gjm h TYR 75 Ca 0.22 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.77 1gjm h TYR 75 Cb 0.39 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.10 1gjm h TYR 75 CO 0.03 0.15 -1.11 0.93 -1.05 0.00 0.00 178.16 177.10 1gjm h GLU 76 N 0.00 0.03 -3.94 4.88 5.08 -0.99 -3.41 114.58 116.24 1gjm h GLU 76 Ca -0.00 -0.06 -0.76 0.00 -1.00 0.00 0.00 59.36 57.54 1gjm h GLU 76 Cb 0.47 0.02 -0.20 0.00 0.50 0.00 0.00 28.75 29.54 1gjm h GLU 76 CO 0.02 0.97 1.33 -3.47 -1.00 0.00 0.00 179.01 176.86 1gjm n ASP 77 N -3.34 5.39 0.25 1.42 -0.08 -0.88 -4.80 116.55 114.51 1gjm n ASP 77 Ca -0.03 -3.09 0.17 0.00 -1.51 0.00 0.00 54.79 50.33 1gjm n ASP 77 Cb 0.96 -1.47 0.70 0.00 2.34 0.00 0.00 41.12 43.65 1gjm n ASP 77 CO 0.00 0.00 0.00 0.10 0.12 0.00 0.00 177.20 177.42 1gjm h TYR 78 N 6.41 0.00 -0.47 -0.67 -0.00 -1.76 -0.76 116.97 119.73 1gjm h TYR 78 Ca 0.30 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.95 1gjm h TYR 78 Cb 0.77 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.48 1gjm h TYR 78 CO 1.08 0.00 -0.05 0.00 -0.00 0.00 0.00 178.16 179.19 1gjm h ARG 79 N 0.00 0.80 0.03 0.10 2.47 -1.94 -3.29 114.38 112.55 1gjm h ARG 79 Ca 0.00 -0.24 -0.38 0.00 -1.26 0.00 0.00 59.98 58.10 1gjm h ARG 79 Cb 0.40 -0.08 -0.06 0.00 -1.65 0.00 0.00 29.97 28.58 1gjm h ARG 79 CO 0.00 0.84 -2.33 0.72 0.56 0.00 0.00 179.97 179.76 1gjm n HIS 80 N -4.19 0.31 -3.60 3.04 8.25 -1.09 -4.64 115.22 113.29 1gjm n HIS 80 Ca 0.02 0.07 -0.40 0.00 -0.26 0.00 0.00 57.72 57.16 1gjm n HIS 80 Cb 0.33 -1.04 -0.08 0.00 1.12 0.00 0.00 29.99 30.32 1gjm n HIS 80 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1gjm s PHE 81 N -2.53 3.50 0.31 4.41 0.08 -0.31 -1.07 117.98 122.38 1gjm s PHE 81 Ca -0.28 -2.32 -0.19 0.00 0.12 0.00 0.00 56.93 54.26 1gjm s PHE 81 Cb 0.08 -3.40 -0.09 0.00 -0.57 0.00 0.00 43.02 39.03 1gjm s PHE 81 CO 0.68 -0.92 0.80 0.45 -0.10 0.00 0.00 175.22 176.13 1gjm s SER 82 N 1.62 6.98 0.00 1.36 0.15 0.37 -4.17 113.70 120.01 1gjm s SER 82 Ca 0.13 1.48 0.19 0.00 0.70 0.00 0.00 55.95 58.45 1gjm s SER 82 Cb -0.20 -2.45 0.67 0.00 -1.71 0.00 0.00 66.02 62.33 1gjm s SER 82 CO -0.04 -0.14 1.50 -1.20 1.20 0.00 0.00 173.24 174.56 1gjm n SER 83 N 0.06 1.67 -3.59 5.45 7.64 -1.26 -0.64 113.62 122.94 1gjm n SER 83 Ca 0.02 -1.76 -0.41 0.00 1.01 0.00 0.00 58.87 57.74 1gjm n SER 83 Cb 0.52 -0.13 -0.01 0.00 -1.01 0.00 0.00 64.21 63.59 1gjm n SER 83 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1gjm n GLU 84 N 0.34 3.18 -2.40 1.43 1.02 -1.25 -4.17 120.64 118.78 1gjm n GLU 84 Ca 0.15 -2.51 -0.41 0.00 -0.02 0.00 0.00 57.16 54.37 1gjm n GLU 84 Cb 0.32 -3.11 -0.03 0.00 -0.02 0.00 0.00 31.44 28.60 1gjm n GLU 84 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gjm s PRO 86 N -0.04 2.27 0.85 0.00 0.02 -1.26 -1.19 135.00 135.65 1gjm s PRO 86 Ca 0.53 -0.38 -0.13 0.00 0.02 0.00 0.00 61.00 61.05 1gjm s PRO 86 Cb -0.32 -2.24 0.13 0.00 0.02 0.00 0.00 34.50 32.09 1gjm s PRO 86 CO 0.35 -1.12 1.21 -0.06 -0.33 0.00 0.00 177.00 177.05 1gjm s PHE 87 N -3.14 2.37 -0.23 6.54 0.08 -1.26 -4.73 117.98 117.62 1gjm s PHE 87 Ca 0.59 0.51 -0.03 0.00 0.12 0.00 0.00 56.93 58.12 1gjm s PHE 87 Cb -0.11 -3.69 0.07 0.00 -0.57 0.00 0.00 43.02 38.73 1gjm s PHE 87 CO 0.43 -2.07 0.08 0.42 -0.10 0.00 0.00 175.22 173.98 1gjm s ILE 88 N -3.65 0.30 0.42 0.64 1.01 -1.26 -1.67 121.20 116.99 1gjm s ILE 88 Ca 0.67 -0.64 -0.25 0.00 0.00 0.00 0.00 60.65 60.43 1gjm s ILE 88 Cb -0.08 -1.01 -0.08 0.00 0.01 0.00 0.00 42.46 41.30 1gjm s ILE 88 CO 0.50 -0.41 1.30 -2.84 0.00 0.00 0.00 174.94 173.49 1gjm s PRO 89 N 1.94 3.88 0.42 2.79 0.02 -1.26 -5.09 135.00 137.69 1gjm s PRO 89 Ca 0.04 2.15 -0.24 0.00 0.02 0.00 0.00 61.00 62.96 1gjm s PRO 89 Cb -0.17 -2.69 -0.08 0.00 0.02 0.00 0.00 34.50 31.58 1gjm s PRO 89 CO -0.17 -0.57 1.15 -0.98 -0.33 0.00 0.00 177.00 176.10 1gjm s ARG 90 N -2.34 3.99 -0.07 5.54 3.03 -0.67 -5.03 118.95 123.40 1gjm s ARG 90 Ca 0.59 1.78 0.01 0.00 2.03 0.00 0.00 55.73 60.14 1gjm s ARG 90 Cb -0.38 -2.58 -0.03 0.00 -1.03 0.00 0.00 34.95 30.93 1gjm s ARG 90 CO 0.48 -0.36 -0.09 -1.21 -1.13 0.00 0.00 175.30 172.99 1gjm s GLU 91 N -2.43 2.73 0.10 3.89 2.02 -1.26 -4.94 118.70 118.81 1gjm s GLU 91 Ca 0.59 -0.58 -0.31 0.00 0.02 0.00 0.00 54.97 54.69 1gjm s GLU 91 Cb -0.29 -2.55 -0.10 0.00 0.10 0.00 0.00 34.13 31.29 1gjm s GLU 91 CO 0.36 0.63 1.76 0.00 0.02 0.00 0.00 175.26 178.03 1gjm s ALA 92 N -0.73 3.74 -0.11 5.21 0.00 -1.26 -2.59 121.76 126.01 1gjm s ALA 92 Ca 0.11 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.43 1gjm s ALA 92 Cb -0.11 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1gjm s ALA 92 CO 0.01 -1.17 0.00 0.41 0.00 0.00 0.00 175.76 175.01 1gjm n GLY 93 N 4.14 0.26 3.02 0.00 0.00 -1.26 -4.98 105.19 106.37 1gjm n GLY 93 Ca 0.17 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 1gjm n GLY 93 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gjm s GLU 94 N -1.49 0.53 0.25 1.61 0.41 -1.07 -5.15 118.70 113.79 1gjm s GLU 94 Ca 0.00 -0.46 -0.17 0.00 -0.41 0.00 0.00 54.97 53.93 1gjm s GLU 94 Cb 0.00 -0.44 0.01 0.00 -1.78 0.00 0.00 34.13 31.93 1gjm s GLU 94 CO 0.00 0.11 0.59 0.00 -0.49 0.00 0.00 175.26 175.46 1gjm s ALA 95 N -0.66 -0.77 0.37 5.21 0.00 -1.26 -4.27 121.76 120.37 1gjm s ALA 95 Ca -0.02 -0.52 -0.28 0.00 0.00 0.00 0.00 51.96 51.14 1gjm s ALA 95 Cb -0.06 0.94 -0.10 0.00 0.00 0.00 0.00 23.12 23.91 1gjm s ALA 95 CO 0.00 -0.92 1.36 0.71 0.00 0.00 0.00 175.76 176.90 1gjm s TYR 96 N -3.95 2.83 0.00 0.00 2.02 -0.33 -4.92 117.35 113.00 1gjm s TYR 96 Ca 0.15 1.35 0.17 0.00 -0.37 0.00 0.00 57.07 58.37 1gjm s TYR 96 Cb -0.03 -3.77 0.28 0.00 -0.40 0.00 0.00 41.96 38.04 1gjm s TYR 96 CO 0.06 -2.27 1.11 -0.40 -1.57 0.00 0.00 175.55 172.48 1gjm n ASP 97 N 0.45 0.64 -4.75 2.29 5.75 -1.26 -4.65 116.55 115.02 1gjm n ASP 97 Ca 0.02 -1.99 -0.34 0.00 -0.01 0.00 0.00 54.79 52.47 1gjm n ASP 97 Cb 0.42 -0.25 0.06 0.00 -1.03 0.00 0.00 41.12 40.31 1gjm n ASP 97 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1gjm s PHE 98 N 0.00 2.37 -0.06 2.11 0.08 -1.26 -4.86 117.98 116.35 1gjm s PHE 98 Ca 0.22 1.57 0.05 0.00 0.12 0.00 0.00 56.93 58.89 1gjm s PHE 98 Cb 0.26 -3.34 -0.00 0.00 -0.57 0.00 0.00 43.02 39.36 1gjm s PHE 98 CO -0.11 -2.11 -0.21 0.42 -0.10 0.00 0.00 175.22 173.11 1gjm s ILE 99 N -2.06 1.74 -2.23 0.64 1.01 -1.07 -0.87 121.20 118.35 1gjm s ILE 99 Ca 0.72 -0.88 0.20 0.00 0.00 0.00 0.00 60.65 60.68 1gjm s ILE 99 Cb -0.25 -1.49 0.45 0.00 0.01 0.00 0.00 42.46 41.18 1gjm s ILE 99 CO 0.41 0.49 1.44 -0.81 0.00 0.00 0.00 174.94 176.47 1gjm n PRO 100 N 3.15 2.18 0.13 2.79 -0.04 -1.26 -4.02 135.00 137.92 1gjm n PRO 100 Ca -0.18 -1.80 0.09 0.00 -0.04 0.00 0.00 63.50 61.57 1gjm n PRO 100 Cb 0.52 -1.44 0.58 0.00 -0.04 0.00 0.00 33.50 33.12 1gjm n PRO 100 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1gjm h THR 101 N 3.28 0.98 -0.56 0.52 2.02 -1.96 -2.06 112.91 115.13 1gjm h THR 101 Ca 0.00 -0.06 -0.13 0.00 0.77 0.00 0.00 66.41 66.98 1gjm h THR 101 Cb 0.73 0.79 -0.08 0.00 -1.74 0.00 0.00 68.15 67.85 1gjm h THR 101 CO 0.00 0.03 0.17 -1.20 0.37 0.00 0.00 175.52 174.89 1gjm n SER 102 N -4.50 4.36 -4.34 4.18 7.64 -0.05 -4.82 113.62 116.09 1gjm n SER 102 Ca 0.01 -2.91 -0.23 0.00 1.01 0.00 0.00 58.87 56.76 1gjm n SER 102 Cb 0.17 -0.69 -0.11 0.00 -1.01 0.00 0.00 64.21 62.57 1gjm n SER 102 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1gjm s MET 103 N -2.46 1.29 0.10 1.43 -1.94 -0.78 -3.95 119.30 113.01 1gjm s MET 103 Ca 0.44 -1.40 0.04 0.00 -1.71 0.00 0.00 55.69 53.06 1gjm s MET 103 Cb 0.34 -1.42 -0.04 0.00 2.01 0.00 0.00 34.83 35.73 1gjm s MET 103 CO 0.11 0.30 0.05 -0.51 -0.01 0.00 0.00 175.02 174.96 1gjm s ASP 104 N -2.58 5.28 0.77 3.03 1.01 -1.26 -4.68 116.67 118.24 1gjm s ASP 104 Ca 0.15 -0.12 -0.11 0.00 0.71 0.00 0.00 52.55 53.19 1gjm s ASP 104 Cb -0.07 -1.33 0.06 0.00 1.01 0.00 0.00 42.92 42.59 1gjm s ASP 104 CO 0.07 0.15 1.09 -2.84 0.21 0.00 0.00 175.17 173.85 1gjm s PRO 105 N -2.51 2.25 0.29 8.23 0.02 -1.26 -1.76 135.00 140.26 1gjm s PRO 105 Ca 0.28 1.19 0.13 0.00 0.02 0.00 0.00 61.00 62.62 1gjm s PRO 105 Cb -0.11 -1.90 0.40 0.00 0.02 0.00 0.00 34.50 32.91 1gjm s PRO 105 CO 0.21 -1.65 1.62 -1.00 -0.33 0.00 0.00 177.00 175.84 1gjm h PRO 106 N -1.09 0.00 -0.84 5.54 0.13 -2.03 -3.45 132.00 130.26 1gjm h PRO 106 Ca -0.44 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.87 1gjm h PRO 106 Cb 1.23 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.25 1gjm h PRO 106 CO 0.51 0.57 0.37 1.49 -0.23 0.00 0.00 178.00 180.71 1gjm h GLU 107 N 0.00 0.44 -0.97 0.86 4.81 -1.95 -2.17 114.58 115.60 1gjm h GLU 107 Ca -0.01 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.26 1gjm h GLU 107 Cb 1.10 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.31 1gjm h GLU 107 CO 0.07 0.29 0.63 0.37 -0.73 0.00 0.00 179.01 179.65 1gjm h GLN 108 N 0.46 1.11 -0.65 1.92 4.15 -1.63 -3.31 115.11 117.14 1gjm h GLN 108 Ca 0.49 -0.07 0.14 0.00 0.77 0.00 0.00 58.65 59.98 1gjm h GLN 108 Cb 0.84 -0.25 -0.10 0.00 0.21 0.00 0.00 27.48 28.18 1gjm h GLN 108 CO -0.46 0.73 0.09 0.00 -1.93 0.00 0.00 178.83 177.26 1gjm h ARG 109 N 1.14 0.19 -0.30 1.69 3.08 -1.68 -1.98 114.38 116.53 1gjm h ARG 109 Ca 0.41 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.50 1gjm h ARG 109 Cb 0.14 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1gjm h ARG 109 CO -0.15 0.13 0.21 -0.56 -1.07 0.00 0.00 179.97 178.52 1gjm h GLN 110 N 0.20 0.17 0.00 0.04 3.07 -1.75 -2.41 115.11 114.43 1gjm h GLN 110 Ca 0.35 -0.01 -0.16 0.00 0.09 0.00 0.00 58.65 58.92 1gjm h GLN 110 Cb 0.57 -0.04 -0.02 0.00 0.08 0.00 0.00 27.48 28.07 1gjm h GLN 110 CO -0.49 0.11 -0.76 0.74 0.09 0.00 0.00 178.83 178.52 1gjm h PHE 111 N 0.18 0.00 -0.86 0.06 0.04 -1.57 -3.30 116.94 111.49 1gjm h PHE 111 Ca 0.13 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.88 1gjm h PHE 111 Cb 0.31 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.42 1gjm h PHE 111 CO -0.00 0.76 0.45 0.00 -0.60 0.00 0.00 178.31 178.92 1gjm h ARG 112 N 0.00 1.21 -0.44 1.51 3.08 -1.40 -2.51 114.38 115.83 1gjm h ARG 112 Ca -0.01 -0.15 0.03 0.00 0.07 0.00 0.00 59.98 59.92 1gjm h ARG 112 Cb 1.44 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 31.22 1gjm h ARG 112 CO 0.10 0.90 0.23 0.00 -1.07 0.00 0.00 179.97 180.13 1gjm h ALA 113 N 1.24 0.56 -0.59 0.04 0.00 -1.64 0.26 119.26 119.13 1gjm h ALA 113 Ca 0.30 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 1gjm h ALA 113 Cb 0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1gjm h ALA 113 CO -0.04 -0.12 0.02 1.25 0.00 0.00 0.00 179.25 180.35 1gjm h LEU 114 N 0.45 1.01 -0.71 0.00 5.85 -1.68 -1.46 115.31 118.77 1gjm h LEU 114 Ca 0.19 -0.30 -0.08 0.00 0.84 0.00 0.00 57.88 58.53 1gjm h LEU 114 Cb 0.09 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 1gjm h LEU 114 CO -0.13 1.06 0.07 0.00 -0.34 0.00 0.00 178.44 179.10 1gjm h ALA 115 N 0.99 0.93 -0.00 1.25 0.00 -1.08 -2.21 119.26 119.13 1gjm h ALA 115 Ca 0.17 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1gjm h ALA 115 Cb 0.53 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1gjm h ALA 115 CO 0.03 0.66 -0.20 -0.97 0.00 0.00 0.00 179.25 178.76 1gjm h ASN 116 N 0.99 0.00 0.86 0.00 -1.24 -0.21 -2.12 115.58 113.86 1gjm h ASN 116 Ca 0.19 -0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.16 1gjm h ASN 116 Cb 0.47 -0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.51 1gjm h ASN 116 CO 0.02 0.21 -0.19 -0.61 -1.29 0.00 0.00 177.43 175.56 1gjm h GLN 117 N 0.00 0.00 0.00 6.67 4.15 -0.63 0.63 115.11 125.93 1gjm h GLN 117 Ca -0.00 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.10 1gjm h GLN 117 Cb 0.36 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.99 1gjm h GLN 117 CO 0.03 0.19 -2.14 1.33 -1.93 0.00 0.00 178.83 176.31 1gjm n VAL 118 N -3.39 1.34 0.00 2.39 0.24 -0.82 -4.57 118.33 113.52 1gjm n VAL 118 Ca -0.00 -0.81 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 1gjm n VAL 118 Cb 0.39 -0.59 0.00 0.00 -1.47 0.00 0.00 33.84 32.18 1gjm n VAL 118 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1gjm n VAL 119 N -2.80 0.66 -1.22 3.34 0.24 -1.05 -4.86 118.33 112.63 1gjm n VAL 119 Ca -0.26 -0.83 -0.27 0.00 -2.04 0.00 0.00 64.34 60.95 1gjm n VAL 119 Cb 1.08 0.67 0.21 0.00 -1.47 0.00 0.00 33.84 34.33 1gjm n VAL 119 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1gjm n GLY 120 N -0.32 -2.38 0.29 7.63 0.00 0.21 -4.51 105.19 106.11 1gjm n GLY 120 Ca 0.00 -1.55 -0.04 0.00 0.00 0.00 0.00 46.02 44.44 1gjm n GLY 120 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1gjm h MET 121 N 0.00 -0.10 -0.87 1.61 1.85 -1.89 -0.95 114.93 114.58 1gjm h MET 121 Ca -0.37 0.01 0.07 0.00 -0.61 0.00 0.00 59.70 58.80 1gjm h MET 121 Cb 1.10 0.02 -0.06 0.00 0.43 0.00 0.00 31.60 33.10 1gjm h MET 121 CO 0.25 -0.07 0.57 -1.35 -0.40 0.00 0.00 176.91 175.91 1gjm h PRO 122 N -0.10 0.91 -0.43 0.39 0.11 -1.93 0.21 132.00 131.16 1gjm h PRO 122 Ca 0.25 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.23 1gjm h PRO 122 Cb 0.50 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 1gjm h PRO 122 CO -0.62 0.60 -0.04 0.28 -0.21 0.00 0.00 178.00 178.01 1gjm h VAL 123 N 0.94 1.27 -0.88 3.15 2.07 -1.55 -1.97 116.25 119.27 1gjm h VAL 123 Ca 0.38 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 1gjm h VAL 123 Cb 0.27 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1gjm h VAL 123 CO -0.15 0.37 0.48 0.58 0.02 0.00 0.00 177.57 178.88 1gjm h VAL 124 N 0.61 1.26 -0.50 2.57 2.07 -0.19 -1.21 116.25 120.86 1gjm h VAL 124 Ca 0.12 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1gjm h VAL 124 Cb 0.55 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1gjm h VAL 124 CO 0.03 0.29 0.32 0.44 0.02 0.00 0.00 177.57 178.67 1gjm h ASP 125 N 1.23 0.58 -0.79 0.57 3.32 -0.78 -0.27 116.42 120.28 1gjm h ASP 125 Ca 0.31 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1gjm h ASP 125 Cb 0.03 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 1gjm h ASP 125 CO -0.05 0.43 0.51 0.11 -1.72 0.00 0.00 179.24 178.52 1gjm h LYS 126 N 0.67 1.05 0.00 3.56 1.57 -0.81 -2.48 116.57 120.13 1gjm h LYS 126 Ca 0.18 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1gjm h LYS 126 Cb -0.06 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.01 1gjm h LYS 126 CO -0.04 0.71 -0.27 -0.07 -0.57 0.00 0.00 179.45 179.22 1gjm h LEU 127 N 1.08 0.00 -0.29 2.94 3.38 -0.64 -3.38 115.31 118.39 1gjm h LEU 127 Ca 0.29 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.30 1gjm h LEU 127 Cb -0.10 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1gjm h LEU 127 CO -0.06 0.27 -0.14 1.21 0.09 0.00 0.00 178.44 179.81 1gjm n GLU 128 N -3.48 -0.09 0.07 1.13 4.07 -0.17 -0.30 120.64 121.86 1gjm n GLU 128 Ca -0.00 0.45 -0.08 0.00 -0.06 0.00 0.00 57.16 57.47 1gjm n GLU 128 Cb 0.44 -0.66 0.06 0.00 -0.06 0.00 0.00 31.44 31.22 1gjm n GLU 128 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1gjm h ASN 129 N 0.00 0.38 -0.20 4.31 -0.26 -1.80 -1.68 115.58 116.32 1gjm h ASN 129 Ca 0.08 -0.24 -0.13 0.00 -0.56 0.00 0.00 56.30 55.45 1gjm h ASN 129 Cb 0.15 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.29 1gjm h ASN 129 CO -0.29 0.95 -0.32 0.03 -1.06 0.00 0.00 177.43 176.74 1gjm h ARG 130 N 0.23 0.71 -0.13 0.81 2.47 -0.94 0.49 114.38 118.01 1gjm h ARG 130 Ca -0.02 -0.33 -0.01 0.00 -1.26 0.00 0.00 59.98 58.37 1gjm h ARG 130 Cb 1.23 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.53 1gjm h ARG 130 CO 0.11 0.93 0.05 0.82 0.56 0.00 0.00 179.97 182.45 1gjm h ILE 131 N 0.60 1.15 -0.52 2.04 2.04 -1.03 -0.73 117.51 121.07 1gjm h ILE 131 Ca 0.07 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 1gjm h ILE 131 Cb 0.84 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 1gjm h ILE 131 CO 0.07 0.14 0.28 -0.61 0.00 0.00 0.00 178.15 178.03 1gjm h GLN 132 N 0.05 0.73 -0.21 2.37 4.15 -1.14 -2.05 115.11 119.00 1gjm h GLN 132 Ca 0.04 -0.09 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 1gjm h GLN 132 Cb 0.17 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 1gjm h GLN 132 CO -0.00 0.57 0.11 0.93 -1.93 0.00 0.00 178.83 178.51 1gjm h GLU 133 N 0.69 0.29 -0.24 1.69 5.08 -0.72 -1.93 114.58 119.44 1gjm h GLU 133 Ca 0.18 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1gjm h GLU 133 Cb 0.07 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1gjm h GLU 133 CO -0.03 0.27 0.10 1.25 -1.00 0.00 0.00 179.01 179.61 1gjm h LEU 134 N 0.23 0.33 -0.30 1.33 5.85 -1.03 0.58 115.31 122.29 1gjm h LEU 134 Ca 0.07 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.68 1gjm h LEU 134 Cb 0.07 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1gjm h LEU 134 CO -0.01 0.39 0.04 0.00 -0.34 0.00 0.00 178.44 178.52 1gjm h ALA 135 N 0.94 0.30 -0.37 1.25 0.00 -1.30 0.32 119.26 120.41 1gjm h ALA 135 Ca 0.08 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1gjm h ALA 135 Cb 0.17 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1gjm h ALA 135 CO -0.01 -0.37 0.15 0.00 0.00 0.00 0.00 179.25 179.02 1gjm h SER 137 N 0.44 0.44 -0.41 0.00 0.87 -0.38 -0.29 113.55 114.23 1gjm h SER 137 Ca 0.12 -0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.58 1gjm h SER 137 Cb 0.18 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1gjm h SER 137 CO -0.01 0.31 -0.14 -0.07 -0.53 0.00 0.00 176.83 176.40 1gjm h LEU 138 N 0.54 0.82 -0.66 2.23 3.38 -0.83 -3.05 115.31 117.74 1gjm h LEU 138 Ca 0.17 -0.38 -0.11 0.00 0.09 0.00 0.00 57.88 57.65 1gjm h LEU 138 Cb -0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1gjm h LEU 138 CO -0.07 1.02 -0.19 0.40 0.09 0.00 0.00 178.44 179.69 1gjm h ILE 139 N 0.62 1.27 -0.53 1.22 2.04 -1.02 -2.93 117.51 118.19 1gjm h ILE 139 Ca 0.10 -1.31 -0.07 0.00 1.00 0.00 0.00 64.86 64.58 1gjm h ILE 139 Cb 0.68 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1gjm h ILE 139 CO 0.05 0.45 0.05 -0.33 0.00 0.00 0.00 178.15 178.36 1gjm h GLU 140 N 0.74 0.86 -0.05 2.37 4.39 -1.06 0.49 114.58 122.33 1gjm h GLU 140 Ca 0.11 -0.22 -0.12 0.00 0.34 0.00 0.00 59.36 59.47 1gjm h GLU 140 Cb 0.71 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1gjm h GLU 140 CO 0.05 0.83 -0.53 0.66 -1.16 0.00 0.00 179.01 178.87 1gjm h SER 141 N 0.81 0.14 0.38 1.42 4.64 -1.48 -3.19 113.55 116.27 1gjm h SER 141 Ca 0.16 -0.07 -0.29 0.00 -0.47 0.00 0.00 61.79 61.12 1gjm h SER 141 Cb 0.42 -0.04 0.02 0.00 -0.31 0.00 0.00 62.40 62.49 1gjm h SER 141 CO 0.01 0.64 -1.28 -0.07 -0.87 0.00 0.00 176.83 175.26 1gjm h LEU 142 N 0.10 0.67 -0.99 5.97 3.38 -1.28 -3.39 115.31 119.77 1gjm h LEU 142 Ca 0.00 -0.67 0.17 0.00 0.09 0.00 0.00 57.88 57.47 1gjm h LEU 142 Cb 0.96 -0.21 -0.17 0.00 0.09 0.00 0.00 40.66 41.33 1gjm h LEU 142 CO 0.08 1.50 -0.33 -0.09 0.09 0.00 0.00 178.44 179.69 1gjm h ARG 143 N 0.16 -0.00 0.00 1.13 2.43 -0.89 -0.08 114.38 117.12 1gjm h ARG 143 Ca -0.18 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 1gjm h ARG 143 Cb 1.98 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.52 1gjm h ARG 143 CO 0.23 -0.00 -0.13 -1.35 -1.51 0.00 0.00 179.97 177.21 1gjm h PRO 144 N -0.00 0.00 -0.26 0.20 0.11 -1.76 -3.13 132.00 127.16 1gjm h PRO 144 Ca 0.40 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.47 1gjm h PRO 144 Cb 0.65 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.75 1gjm h PRO 144 CO -1.00 0.13 -0.04 1.96 -0.21 0.00 0.00 178.00 178.84 1gjm h GLN 145 N 0.00 0.41 -0.18 1.05 4.20 -1.23 -3.46 115.11 115.89 1gjm h GLN 145 Ca -0.00 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.54 1gjm h GLN 145 Cb 0.37 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 1gjm h GLN 145 CO 0.02 0.47 -0.07 0.41 -0.67 0.00 0.00 178.83 178.98 1gjm n GLY 146 N -0.91 0.62 3.55 3.46 0.00 -1.18 -4.94 105.19 105.78 1gjm n GLY 146 Ca 0.01 -0.27 -0.07 0.00 0.00 0.00 0.00 46.02 45.68 1gjm n GLY 146 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1gjm s GLN 147 N -1.68 0.60 -0.09 1.61 -2.07 -1.26 -1.03 119.66 115.74 1gjm s GLN 147 Ca 0.00 -0.17 -0.32 0.00 -1.82 0.00 0.00 55.36 53.05 1gjm s GLN 147 Cb 0.00 0.28 0.12 0.00 -1.09 0.00 0.00 33.01 32.32 1gjm s GLN 147 CO 0.00 -0.25 1.13 0.00 -1.32 0.00 0.00 175.29 174.85 1gjm s ASN 149 N -2.45 5.88 0.26 0.00 0.02 -1.26 -0.48 114.94 116.91 1gjm s ASN 149 Ca 0.10 -3.02 -0.05 0.00 -1.02 0.00 0.00 52.86 48.86 1gjm s ASN 149 Cb 0.00 -1.98 0.50 0.00 0.02 0.00 0.00 41.25 39.79 1gjm s ASN 149 CO -0.05 -0.38 1.61 0.15 0.02 0.00 0.00 177.10 178.45 1gjm h PHE 150 N 7.01 -0.11 -0.02 2.20 3.57 -1.56 0.70 116.94 128.73 1gjm h PHE 150 Ca 0.06 0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.66 1gjm h PHE 150 Cb 0.95 0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.82 1gjm h PHE 150 CO 0.81 -0.30 -0.27 1.79 -2.23 0.00 0.00 178.31 178.10 1gjm h THR 151 N 0.07 0.39 0.00 4.41 1.35 -1.94 0.14 112.91 117.33 1gjm h THR 151 Ca 0.46 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 66.20 1gjm h THR 151 Cb 0.82 0.39 -0.02 0.00 -1.73 0.00 0.00 68.15 67.62 1gjm h THR 151 CO -0.76 0.00 -0.73 1.05 -0.25 0.00 0.00 175.52 174.83 1gjm h GLU 152 N -0.40 0.00 0.00 4.72 4.11 -1.85 0.10 114.58 121.26 1gjm h GLU 152 Ca 0.07 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.42 1gjm h GLU 152 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1gjm h GLU 152 CO -0.24 0.43 -0.89 -0.44 0.07 0.00 0.00 179.01 177.93 1gjm h ASP 153 N 0.00 0.00 0.00 3.06 3.32 -0.76 -3.40 116.42 118.64 1gjm h ASP 153 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1gjm h ASP 153 Cb 1.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.96 1gjm h ASP 153 CO 0.06 0.28 0.00 0.00 -1.72 0.00 0.00 179.24 177.86 1gjm n TYR 154 N -2.91 -1.19 -0.28 4.55 4.19 -0.14 -4.78 117.16 116.60 1gjm n TYR 154 Ca -0.02 0.21 0.09 0.00 3.31 0.00 0.00 57.90 61.50 1gjm n TYR 154 Cb 0.67 0.61 0.24 0.00 0.49 0.00 0.00 39.34 41.35 1gjm n TYR 154 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1gjm h ALA 155 N 0.00 1.14 0.03 2.98 0.00 -1.06 -1.37 119.26 120.98 1gjm h ALA 155 Ca 0.00 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1gjm h ALA 155 Cb 0.00 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1gjm h ALA 155 CO 0.00 -0.39 -0.01 0.93 0.00 0.00 0.00 179.25 179.78 1gjm h GLU 156 N 0.26 -0.03 -0.61 0.00 5.08 -1.01 -3.38 114.58 114.89 1gjm h GLU 156 Ca 0.49 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.91 1gjm h GLU 156 Cb 0.91 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.13 1gjm h GLU 156 CO -0.58 -0.02 0.40 -1.00 -1.00 0.00 0.00 179.01 176.81 1gjm h PRO 157 N -0.79 0.60 0.57 2.33 0.13 -1.75 -2.31 132.00 130.77 1gjm h PRO 157 Ca -0.00 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.06 1gjm h PRO 157 Cb 0.03 -0.14 0.01 0.00 0.13 0.00 0.00 31.00 31.03 1gjm h PRO 157 CO 0.01 0.40 -0.27 0.35 -0.23 0.00 0.00 178.00 178.25 1gjm h PHE 158 N 0.62 -0.71 -0.53 1.56 3.57 -1.46 -0.56 116.94 119.43 1gjm h PHE 158 Ca 0.26 -0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.63 1gjm h PHE 158 Cb 0.23 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 1gjm h PHE 158 CO -0.00 -0.44 -0.11 -1.35 -2.23 0.00 0.00 178.31 174.18 1gjm h PRO 159 N -0.76 1.01 -0.30 6.41 0.11 -1.74 -2.75 132.00 133.98 1gjm h PRO 159 Ca -0.08 -0.37 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1gjm h PRO 159 Cb 0.58 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 1gjm h PRO 159 CO 0.13 1.05 0.11 0.82 -0.21 0.00 0.00 178.00 179.90 1gjm h ILE 160 N 0.89 1.19 -0.33 4.15 2.04 -1.48 -0.94 117.51 123.04 1gjm h ILE 160 Ca 0.14 -0.59 -0.07 0.00 1.00 0.00 0.00 64.86 65.34 1gjm h ILE 160 Cb 0.68 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 1gjm h ILE 160 CO 0.05 0.20 -0.11 0.03 0.00 0.00 0.00 178.15 178.32 1gjm h ARG 161 N 0.33 0.56 -0.56 2.37 3.08 -1.09 0.31 114.38 119.38 1gjm h ARG 161 Ca 0.10 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.90 1gjm h ARG 161 Cb 0.21 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1gjm h ARG 161 CO -0.01 0.66 0.02 0.82 -1.07 0.00 0.00 179.97 180.39 1gjm h ILE 162 N 0.51 1.26 -0.41 2.04 1.08 -1.31 -1.27 117.51 119.42 1gjm h ILE 162 Ca 0.10 -1.10 -0.10 0.00 -0.39 0.00 0.00 64.86 63.37 1gjm h ILE 162 Cb 0.50 0.86 -0.01 0.00 -3.07 0.00 0.00 36.82 35.09 1gjm h ILE 162 CO 0.03 0.39 -0.13 0.15 -0.69 0.00 0.00 178.15 177.90 1gjm h PHE 163 N 0.87 0.92 -0.85 1.37 3.57 -0.61 -0.31 116.94 121.90 1gjm h PHE 163 Ca 0.16 -0.21 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 1gjm h PHE 163 Cb 0.52 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 1gjm h PHE 163 CO 0.04 0.95 0.46 0.52 -2.23 0.00 0.00 178.31 178.05 1gjm h MET 164 N 0.63 1.19 0.18 1.11 2.86 -0.86 0.18 114.93 120.22 1gjm h MET 164 Ca 0.10 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1gjm h MET 164 Cb 0.67 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1gjm h MET 164 CO 0.05 0.87 -0.09 1.25 1.06 0.00 0.00 176.91 180.05 1gjm h LEU 165 N 1.20 -0.21 -0.97 1.22 5.85 -0.95 0.38 115.31 121.83 1gjm h LEU 165 Ca 0.30 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 59.08 1gjm h LEU 165 Cb 0.03 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.04 1gjm h LEU 165 CO -0.05 -0.11 0.61 0.25 -0.34 0.00 0.00 178.44 178.80 1gjm h LEU 166 N -0.29 0.95 -0.05 2.25 5.85 -0.61 -1.55 115.31 121.87 1gjm h LEU 166 Ca -0.03 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1gjm h LEU 166 Cb 0.22 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1gjm h LEU 166 CO 0.04 0.58 -0.20 0.00 -0.34 0.00 0.00 178.44 178.52 1gjm n ALA 167 N -2.36 2.86 -3.20 1.25 0.00 0.58 -1.00 120.51 118.63 1gjm n ALA 167 Ca 0.16 -0.23 -0.17 0.00 0.00 0.00 0.00 53.44 53.20 1gjm n ALA 167 Cb 0.24 -1.32 0.05 0.00 0.00 0.00 0.00 19.45 18.42 1gjm n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gjm n GLY 168 N 1.45 -0.10 3.58 0.00 0.00 0.11 -4.26 105.19 105.97 1gjm n GLY 168 Ca 0.08 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1gjm n GLY 168 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gjm s LEU 169 N -5.32 3.22 0.23 0.99 1.43 0.04 -5.03 118.68 114.24 1gjm s LEU 169 Ca 0.38 -0.02 -0.31 0.00 -1.03 0.00 0.00 54.13 53.15 1gjm s LEU 169 Cb -0.17 -1.71 -0.12 0.00 0.03 0.00 0.00 46.19 44.22 1gjm s LEU 169 CO 0.48 0.34 1.70 -2.84 0.23 0.00 0.00 176.35 176.25 1gjm s PRO 170 N -0.67 4.12 0.66 1.29 0.02 -1.26 -4.57 135.00 134.58 1gjm s PRO 170 Ca 0.10 2.62 0.42 0.00 0.02 0.00 0.00 61.00 64.16 1gjm s PRO 170 Cb -0.11 -3.05 2.30 0.00 0.02 0.00 0.00 34.50 33.66 1gjm s PRO 170 CO 0.02 -0.73 2.33 0.93 -0.33 0.00 0.00 177.00 179.22 1gjm h GLU 171 N 6.24 0.00 0.00 5.54 5.08 -1.98 -0.13 114.58 129.33 1gjm h GLU 171 Ca -0.44 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1gjm h GLU 171 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1gjm h GLU 171 CO 0.91 0.00 -0.02 1.05 -1.00 0.00 0.00 179.01 179.95 1gjm h GLU 172 N 0.00 0.00 -0.00 2.33 4.11 -2.05 -2.08 114.58 116.89 1gjm h GLU 172 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1gjm h GLU 172 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1gjm h GLU 172 CO -0.00 0.02 -0.04 -0.25 0.07 0.00 0.00 179.01 178.82 1gjm n ASP 173 N -3.17 0.11 0.08 3.06 8.00 -0.06 -4.23 116.55 120.34 1gjm n ASP 173 Ca -0.01 -0.22 -0.12 0.00 0.71 0.00 0.00 54.79 55.16 1gjm n ASP 173 Cb 0.22 -0.23 -0.05 0.00 -0.02 0.00 0.00 41.12 41.04 1gjm n ASP 173 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1gjm h ILE 174 N 0.12 0.61 -0.88 0.53 2.04 -1.52 -1.77 117.51 116.64 1gjm h ILE 174 Ca 0.00 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.01 1gjm h ILE 174 Cb 0.31 0.61 -0.09 0.00 -0.74 0.00 0.00 36.82 36.91 1gjm h ILE 174 CO 0.00 0.00 0.48 -0.65 0.00 0.00 0.00 178.15 177.98 1gjm h PRO 175 N -0.30 0.65 0.18 2.37 0.11 -1.82 0.26 132.00 133.45 1gjm h PRO 175 Ca 0.04 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1gjm h PRO 175 Cb 0.34 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.30 1gjm h PRO 175 CO -0.12 0.43 -0.08 1.25 -0.21 0.00 0.00 178.00 179.26 1gjm h HIS 176 N 0.67 -0.22 -0.55 0.65 -0.00 -1.79 -2.17 115.15 111.75 1gjm h HIS 176 Ca 0.48 -0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.78 1gjm h HIS 176 Cb 0.67 0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 28.13 1gjm h HIS 176 CO -0.07 0.13 0.09 -0.07 -0.00 0.00 0.00 177.93 178.01 1gjm h LEU 177 N -0.60 0.82 -0.81 0.26 3.38 -0.91 -2.18 115.31 115.26 1gjm h LEU 177 Ca -0.02 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 1gjm h LEU 177 Cb 0.45 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1gjm h LEU 177 CO 0.04 0.83 0.11 0.50 0.09 0.00 0.00 178.44 180.01 1gjm h LYS 178 N 0.82 1.00 -0.47 1.13 1.63 -0.54 -0.00 116.57 120.13 1gjm h LYS 178 Ca 0.17 -0.25 -0.07 0.00 -0.85 0.00 0.00 60.65 59.65 1gjm h LYS 178 Cb 0.37 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 1gjm h LYS 178 CO 0.01 0.92 0.01 -0.92 -3.45 0.00 0.00 179.45 176.02 1gjm h TYR 179 N 0.95 0.90 -0.38 1.91 3.20 -1.06 -1.85 116.97 120.64 1gjm h TYR 179 Ca 0.19 -0.15 -0.08 0.00 3.14 0.00 0.00 58.73 61.84 1gjm h TYR 179 Cb 0.40 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 1gjm h TYR 179 CO 0.03 0.85 -0.06 -0.07 -1.64 0.00 0.00 178.16 177.27 1gjm h LEU 180 N 0.68 0.71 -1.25 2.82 3.38 -1.00 -2.43 115.31 118.22 1gjm h LEU 180 Ca 0.14 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 1gjm h LEU 180 Cb 0.49 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1gjm h LEU 180 CO 0.02 0.88 -0.30 0.71 0.09 0.00 0.00 178.44 179.84 1gjm h THR 181 N 0.51 1.24 -0.75 0.22 1.35 -0.97 -1.97 112.91 112.55 1gjm h THR 181 Ca 0.10 -1.15 -0.05 0.00 -0.55 0.00 0.00 66.41 64.76 1gjm h THR 181 Cb 0.56 1.54 -0.03 0.00 -1.73 0.00 0.00 68.15 68.49 1gjm h THR 181 CO 0.03 0.34 0.27 0.44 -0.25 0.00 0.00 175.52 176.35 1gjm h ASP 182 N 0.10 1.07 0.78 5.36 3.32 -1.16 -2.07 116.42 123.82 1gjm h ASP 182 Ca 0.01 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1gjm h ASP 182 Cb 0.59 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1gjm h ASP 182 CO 0.04 0.97 0.00 1.56 -1.72 0.00 0.00 179.24 180.09 1gjm h GLN 183 N 1.11 0.00 -0.00 3.56 1.08 -0.86 0.54 115.11 120.53 1gjm h GLN 183 Ca 0.25 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.45 1gjm h GLN 183 Cb 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1gjm h GLN 183 CO -0.01 0.00 -0.36 -1.33 -0.95 0.00 0.00 178.83 176.18 1gjm n MET 184 N -2.90 0.35 0.00 1.46 2.81 -0.79 -3.99 117.12 114.07 1gjm n MET 184 Ca 0.00 -0.20 0.00 0.00 -1.81 0.00 0.00 57.70 55.70 1gjm n MET 184 Cb 0.25 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 1gjm n MET 184 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1gjm n THR 185 N -1.15 0.00 -3.25 2.03 -2.24 -0.91 -4.88 114.28 103.89 1gjm n THR 185 Ca 0.09 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.62 1gjm n THR 185 Cb 0.34 -1.05 -0.07 0.00 -2.10 0.00 0.00 70.33 67.45 1gjm n THR 185 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1gjm n ARG 186 N -2.73 1.36 -1.76 -0.78 1.74 0.13 -1.43 116.66 113.19 1gjm n ARG 186 Ca 0.00 -3.72 -0.41 0.00 -0.77 0.00 0.00 57.85 52.95 1gjm n ARG 186 Cb 0.39 -1.59 -0.01 0.00 -1.02 0.00 0.00 32.46 30.22 1gjm n ARG 186 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1gjm s PRO 187 N -1.75 4.11 0.00 5.56 0.04 -1.19 -4.63 135.00 137.14 1gjm s PRO 187 Ca 0.37 2.60 0.27 0.00 0.04 0.00 0.00 61.00 64.29 1gjm s PRO 187 Cb 0.18 -3.01 0.87 0.00 0.04 0.00 0.00 34.50 32.58 1gjm s PRO 187 CO -0.08 -0.65 1.64 -0.40 0.04 0.00 0.00 177.00 177.55 1gjm n ASP 188 N 2.11 0.99 0.00 6.66 5.68 -1.26 -4.95 116.55 125.78 1gjm n ASP 188 Ca 0.08 -0.92 0.00 0.00 -0.50 0.00 0.00 54.79 53.45 1gjm n ASP 188 Cb 0.37 0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 1gjm n ASP 188 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gjm n GLY 189 N 1.31 0.62 0.06 6.12 0.00 -1.26 -4.94 105.19 107.10 1gjm n GLY 189 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 1gjm n GLY 189 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gjm n SER 190 N 0.00 0.54 -3.88 1.61 3.41 -1.26 -4.84 113.62 109.20 1gjm n SER 190 Ca 0.00 0.46 -0.10 0.00 -0.26 0.00 0.00 58.87 58.96 1gjm n SER 190 Cb 0.00 -0.54 -0.09 0.00 -0.26 0.00 0.00 64.21 63.32 1gjm n SER 190 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1gjm s MET 191 N -3.07 0.60 0.61 4.33 -1.94 -1.26 -5.11 119.30 113.47 1gjm s MET 191 Ca 0.11 -0.59 -0.04 0.00 -1.71 0.00 0.00 55.69 53.46 1gjm s MET 191 Cb 0.15 0.25 0.03 0.00 2.01 0.00 0.00 34.83 37.26 1gjm s MET 191 CO 0.60 -0.16 0.90 0.95 -0.01 0.00 0.00 175.02 177.30 1gjm s THR 192 N -2.21 3.01 0.35 2.05 -4.23 -1.26 -4.89 115.64 108.46 1gjm s THR 192 Ca -0.08 -0.25 0.07 0.00 -1.18 0.00 0.00 61.69 60.24 1gjm s THR 192 Cb -0.03 -3.21 0.14 0.00 1.34 0.00 0.00 72.50 70.74 1gjm s THR 192 CO -0.02 -0.21 1.86 -0.26 -0.54 0.00 0.00 174.62 175.45 1gjm h PHE 193 N -0.24 0.40 -0.40 3.99 0.04 -1.96 -1.20 116.94 117.56 1gjm h PHE 193 Ca -0.45 -0.05 -0.10 0.00 2.80 0.00 0.00 57.97 60.17 1gjm h PHE 193 Cb 1.28 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 39.31 1gjm h PHE 193 CO 0.40 0.48 -0.17 0.00 -0.60 0.00 0.00 178.31 178.42 1gjm h ALA 194 N 1.54 0.94 -0.04 2.45 0.00 -1.96 -1.14 119.26 121.04 1gjm h ALA 194 Ca 0.07 -0.35 -0.23 0.00 0.00 0.00 0.00 54.91 54.41 1gjm h ALA 194 Cb 0.42 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.06 1gjm h ALA 194 CO 0.02 0.62 -0.86 0.93 0.00 0.00 0.00 179.25 179.96 1gjm h GLU 195 N 0.68 0.64 -0.22 0.00 5.08 -1.86 -2.04 114.58 116.87 1gjm h GLU 195 Ca 0.10 -0.65 -0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1gjm h GLU 195 Cb 0.67 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1gjm h GLU 195 CO 0.05 1.25 0.13 0.00 -1.00 0.00 0.00 179.01 179.44 1gjm h ALA 196 N 0.41 0.28 -0.44 3.43 0.00 -1.17 -1.56 119.26 120.21 1gjm h ALA 196 Ca -0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1gjm h ALA 196 Cb 1.52 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1gjm h ALA 196 CO 0.17 -0.21 0.23 -0.22 0.00 0.00 0.00 179.25 179.22 1gjm h LYS 197 N 0.26 0.62 -0.40 0.00 3.64 -1.27 -2.23 116.57 117.20 1gjm h LYS 197 Ca 0.08 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1gjm h LYS 197 Cb 0.03 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1gjm h LYS 197 CO -0.01 0.50 0.12 1.49 -2.27 0.00 0.00 179.45 179.28 1gjm h GLU 198 N 0.57 0.58 -0.27 1.90 4.57 -1.17 -1.14 114.58 119.63 1gjm h GLU 198 Ca 0.15 -0.09 -0.11 0.00 -1.18 0.00 0.00 59.36 58.14 1gjm h GLU 198 Cb 0.07 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 1gjm h GLU 198 CO -0.02 0.52 -0.29 0.00 -1.18 0.00 0.00 179.01 178.04 1gjm h ALA 199 N 1.56 1.00 -0.30 2.92 0.00 -0.85 0.24 119.26 123.84 1gjm h ALA 199 Ca 0.14 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1gjm h ALA 199 Cb 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1gjm h ALA 199 CO -0.01 0.59 -0.01 1.25 0.00 0.00 0.00 179.25 181.08 1gjm h LEU 200 N 0.47 0.52 -0.38 0.00 5.85 -0.82 -1.78 115.31 119.17 1gjm h LEU 200 Ca 0.06 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 1gjm h LEU 200 Cb 0.74 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1gjm h LEU 200 CO 0.06 0.71 0.17 1.88 -0.34 0.00 0.00 178.44 180.92 1gjm h TYR 201 N 0.32 0.56 -0.94 1.25 0.05 -0.86 -2.31 116.97 115.03 1gjm h TYR 201 Ca 0.08 -0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.89 1gjm h TYR 201 Cb 0.45 -0.17 -0.06 0.00 1.01 0.00 0.00 36.73 37.96 1gjm h TYR 201 CO 0.04 0.49 0.61 0.22 -1.05 0.00 0.00 178.16 178.46 1gjm h ASP 202 N 0.47 0.96 -0.44 3.88 3.58 -0.42 -0.66 116.42 123.78 1gjm h ASP 202 Ca 0.13 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.53 1gjm h ASP 202 Cb 0.15 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 1gjm h ASP 202 CO -0.01 0.61 0.07 0.22 -2.88 0.00 0.00 179.24 177.25 1gjm h TYR 203 N 1.09 0.78 -0.23 0.28 5.03 -1.02 -3.29 116.97 119.60 1gjm h TYR 203 Ca 0.40 -0.11 -0.18 0.00 2.58 0.00 0.00 58.73 61.43 1gjm h TYR 203 Cb 0.18 -0.21 -0.00 0.00 1.55 0.00 0.00 36.73 38.25 1gjm h TYR 203 CO -0.00 0.74 -0.57 -0.07 -1.32 0.00 0.00 178.16 176.93 1gjm h LEU 204 N 0.59 0.81 -0.74 2.82 3.38 -0.75 -3.39 115.31 118.03 1gjm h LEU 204 Ca 0.13 -0.45 0.07 0.00 0.09 0.00 0.00 57.88 57.72 1gjm h LEU 204 Cb 0.38 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.81 1gjm h LEU 204 CO 0.01 1.21 -0.44 0.40 0.09 0.00 0.00 178.44 179.71 1gjm h ILE 205 N 0.55 0.00 0.00 1.22 2.04 -1.23 -0.23 117.51 119.86 1gjm h ILE 205 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1gjm h ILE 205 Cb 1.16 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1gjm h ILE 205 CO 0.12 0.00 -0.15 1.55 0.00 0.00 0.00 178.15 179.67 1gjm h PRO 206 N -0.00 0.00 -0.30 2.37 0.13 -1.77 -2.36 132.00 130.06 1gjm h PRO 206 Ca 0.12 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.10 1gjm h PRO 206 Cb 0.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.44 1gjm h PRO 206 CO -0.70 0.15 -0.40 0.82 -0.23 0.00 0.00 178.00 177.63 1gjm h ILE 207 N 0.00 1.29 -0.57 -3.56 2.04 -1.31 -2.00 117.51 113.40 1gjm h ILE 207 Ca -0.00 -1.59 -0.04 0.00 1.00 0.00 0.00 64.86 64.23 1gjm h ILE 207 Cb 0.30 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1gjm h ILE 207 CO 0.02 0.51 0.20 0.40 0.00 0.00 0.00 178.15 179.29 1gjm h ILE 208 N 0.57 1.23 -0.52 -0.67 2.04 -0.72 -2.14 117.51 117.30 1gjm h ILE 208 Ca 0.03 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 1gjm h ILE 208 Cb 1.00 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 1gjm h ILE 208 CO 0.09 0.29 0.29 -0.08 0.00 0.00 0.00 178.15 178.75 1gjm h GLU 209 N 0.80 0.72 -0.04 2.37 4.22 -1.37 -0.32 114.58 120.95 1gjm h GLU 209 Ca 0.19 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.55 1gjm h GLU 209 Cb 0.25 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1gjm h GLU 209 CO -0.01 0.55 0.03 0.37 -2.18 0.00 0.00 179.01 177.77 1gjm h GLN 210 N 0.69 0.06 0.00 1.92 4.15 -1.17 -2.76 115.11 118.00 1gjm h GLN 210 Ca 0.18 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1gjm h GLN 210 Cb 0.03 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.71 1gjm h GLN 210 CO -0.03 0.04 0.00 0.00 -1.93 0.00 0.00 178.83 176.91 1gjm h ARG 211 N 0.06 0.00 0.00 1.69 -0.00 -1.25 0.23 114.38 115.10 1gjm h ARG 211 Ca 0.02 0.00 -0.13 0.00 -0.50 0.00 0.00 59.98 59.37 1gjm h ARG 211 Cb -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 29.95 1gjm h ARG 211 CO -0.00 0.00 -0.60 -0.09 0.00 0.00 0.00 179.97 179.28 1gjm h ARG 212 N 0.00 0.00 0.05 0.04 2.43 -0.78 -1.92 114.38 114.20 1gjm h ARG 212 Ca 0.00 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.82 1gjm h ARG 212 Cb 0.64 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.15 1gjm h ARG 212 CO 0.00 0.60 -2.10 1.04 -1.51 0.00 0.00 179.97 178.00 1gjm n GLN 213 N -3.79 0.69 -3.57 0.20 1.13 -1.03 -4.60 117.38 106.40 1gjm n GLN 213 Ca -0.01 0.20 -0.27 0.00 -1.94 0.00 0.00 57.00 54.98 1gjm n GLN 213 Cb 0.60 -1.66 -0.10 0.00 0.11 0.00 0.00 30.24 29.20 1gjm n GLN 213 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1gjm n LYS 214 N -3.21 1.44 -1.84 -1.09 4.01 0.04 -5.11 118.16 112.39 1gjm n LYS 214 Ca -0.32 -4.04 -0.38 0.00 -0.51 0.00 0.00 58.31 53.07 1gjm n LYS 214 Cb 1.05 -1.98 0.04 0.00 -0.51 0.00 0.00 35.03 33.63 1gjm n LYS 214 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1gjm s PRO 215 N -1.29 3.05 0.00 1.97 0.04 -0.72 -4.39 135.00 133.66 1gjm s PRO 215 Ca 0.32 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1gjm s PRO 215 Cb 0.05 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1gjm s PRO 215 CO -0.13 -1.22 0.00 0.41 0.04 0.00 0.00 177.00 176.10 1gjm n GLY 216 N 0.71 5.42 0.55 0.56 0.00 -1.26 -5.06 105.19 106.12 1gjm n GLY 216 Ca 0.12 -1.94 0.10 0.00 0.00 0.00 0.00 46.02 44.30 1gjm n GLY 216 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gjm n THR 217 N 0.00 0.00 -0.89 2.61 -2.24 -1.26 -4.57 114.28 107.92 1gjm n THR 217 Ca 0.00 -0.36 -0.30 0.00 -2.27 0.00 0.00 64.05 61.12 1gjm n THR 217 Cb 0.00 1.29 0.16 0.00 -2.10 0.00 0.00 70.33 69.68 1gjm n THR 217 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1gjm s ASP 218 N -2.04 3.00 0.26 3.42 -4.77 -1.26 -4.77 116.67 110.51 1gjm s ASP 218 Ca 0.18 1.84 -0.02 0.00 -3.30 0.00 0.00 52.55 51.25 1gjm s ASP 218 Cb 0.16 -2.42 0.44 0.00 -1.09 0.00 0.00 42.92 40.01 1gjm s ASP 218 CO 0.42 -2.99 1.84 0.00 0.70 0.00 0.00 175.17 175.13 1gjm h ALA 219 N -1.79 1.33 -0.60 2.11 0.00 -1.31 -2.11 119.26 116.90 1gjm h ALA 219 Ca -0.48 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1gjm h ALA 219 Cb 1.28 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1gjm h ALA 219 CO 0.48 0.23 0.18 0.82 0.00 0.00 0.00 179.25 180.95 1gjm h ILE 220 N 0.95 1.25 -0.44 0.00 1.08 -1.82 -2.19 117.51 116.33 1gjm h ILE 220 Ca 0.44 -0.85 -0.03 0.00 -0.39 0.00 0.00 64.86 64.03 1gjm h ILE 220 Cb 0.35 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 34.73 1gjm h ILE 220 CO -0.23 0.32 0.16 0.28 -0.69 0.00 0.00 178.15 177.99 1gjm h SER 221 N 0.86 0.62 -0.84 1.72 0.02 -1.74 -0.42 113.55 113.77 1gjm h SER 221 Ca 0.19 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1gjm h SER 221 Cb 0.30 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 1gjm h SER 221 CO -0.00 0.64 0.51 0.40 -1.14 0.00 0.00 176.83 177.24 1gjm h ILE 222 N 0.57 1.23 0.15 3.27 1.08 -1.27 0.25 117.51 122.79 1gjm h ILE 222 Ca 0.14 -0.51 -0.01 0.00 -0.39 0.00 0.00 64.86 64.10 1gjm h ILE 222 Cb 0.22 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.03 1gjm h ILE 222 CO -0.01 0.24 -0.07 0.58 -0.69 0.00 0.00 178.15 178.20 1gjm h VAL 223 N 1.15 0.99 -0.92 1.67 2.07 -1.24 -1.26 116.25 118.71 1gjm h VAL 223 Ca 0.30 -0.97 0.16 0.00 0.82 0.00 0.00 66.70 67.01 1gjm h VAL 223 Cb -0.05 1.54 -0.08 0.00 -1.52 0.00 0.00 31.29 31.19 1gjm h VAL 223 CO -0.06 0.21 0.59 0.00 0.02 0.00 0.00 177.57 178.33 1gjm h ALA 224 N 0.01 1.85 -0.55 1.67 0.00 -0.94 -0.01 119.26 121.30 1gjm h ALA 224 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gjm h ALA 224 Cb 0.51 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1gjm h ALA 224 CO 0.03 -0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.25 1gjm n ASN 225 N -4.58 4.57 -4.91 0.00 3.02 0.06 -4.87 115.26 108.55 1gjm n ASN 225 Ca 0.19 -2.54 -0.28 0.00 -0.03 0.00 0.00 54.58 51.91 1gjm n ASN 225 Cb 0.51 -0.55 0.08 0.00 -0.61 0.00 0.00 39.78 39.21 1gjm n ASN 225 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1gjm s GLY 226 N -1.06 1.62 0.00 7.41 0.00 -0.02 -4.96 107.32 110.31 1gjm s GLY 226 Ca 0.47 -0.68 0.06 0.00 0.00 0.00 0.00 44.72 44.57 1gjm s GLY 226 CO 0.20 -0.24 -0.17 1.20 0.00 0.00 0.00 173.10 174.09 1gjm s GLN 227 N -5.44 1.35 -0.30 2.90 -0.21 -1.26 -1.75 119.66 114.96 1gjm s GLN 227 Ca 0.61 -0.68 -0.01 0.00 0.02 0.00 0.00 55.36 55.30 1gjm s GLN 227 Cb -0.11 -1.34 0.05 0.00 1.00 0.00 0.00 33.01 32.62 1gjm s GLN 227 CO 0.48 0.36 -0.02 0.14 -2.12 0.00 0.00 175.29 174.13 1gjm s VAL 228 N -0.51 2.81 -1.29 1.09 -7.23 0.24 -4.70 120.40 110.82 1gjm s VAL 228 Ca 0.06 -1.47 -0.01 0.00 -1.81 0.00 0.00 61.98 58.75 1gjm s VAL 228 Cb -0.07 -2.64 0.01 0.00 0.56 0.00 0.00 36.38 34.24 1gjm s VAL 228 CO -0.00 -0.11 0.83 0.59 -0.31 0.00 0.00 175.10 176.10 1gjm n ASN 229 N 4.57 -1.88 0.00 4.85 4.13 -1.26 -1.90 115.26 123.77 1gjm n ASN 229 Ca -0.13 -0.74 0.00 0.00 1.68 0.00 0.00 54.58 55.39 1gjm n ASN 229 Cb 0.43 -4.43 0.00 0.00 -1.54 0.00 0.00 39.78 34.24 1gjm n ASN 229 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1gjm n GLY 230 N -1.46 0.65 3.39 7.41 0.00 -1.26 -5.02 105.19 108.90 1gjm n GLY 230 Ca -0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 1gjm n GLY 230 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1gjm s ARG 231 N -0.25 2.10 0.15 1.61 3.00 -0.80 -5.07 118.95 119.68 1gjm s ARG 231 Ca 0.00 -0.94 -0.31 0.00 -1.00 0.00 0.00 55.73 53.48 1gjm s ARG 231 Cb 0.00 -2.13 -0.08 0.00 0.00 0.00 0.00 34.95 32.74 1gjm s ARG 231 CO 0.00 0.55 1.33 -1.25 0.00 0.00 0.00 175.30 175.94 1gjm s PRO 232 N -1.02 4.36 0.46 5.12 0.04 -1.26 0.83 135.00 143.54 1gjm s PRO 232 Ca 0.12 2.03 -0.23 0.00 0.04 0.00 0.00 61.00 62.96 1gjm s PRO 232 Cb -0.10 -3.23 -0.07 0.00 0.04 0.00 0.00 34.50 31.14 1gjm s PRO 232 CO 0.02 -0.33 1.22 -1.50 0.04 0.00 0.00 177.00 176.45 1gjm s ILE 233 N 0.61 2.86 0.51 0.56 2.07 -0.71 -4.80 121.20 122.30 1gjm s ILE 233 Ca 0.60 0.67 -0.03 0.00 -1.41 0.00 0.00 60.65 60.47 1gjm s ILE 233 Cb -0.36 -3.35 -0.01 0.00 0.13 0.00 0.00 42.46 38.88 1gjm s ILE 233 CO 0.34 0.01 0.78 0.42 -1.91 0.00 0.00 174.94 174.59 1gjm s THR 234 N -1.45 4.12 0.26 4.00 -4.23 -1.26 -4.91 115.64 112.17 1gjm s THR 234 Ca 0.64 -0.13 -0.01 0.00 -1.18 0.00 0.00 61.69 61.00 1gjm s THR 234 Cb -0.32 -3.57 0.24 0.00 1.34 0.00 0.00 72.50 70.19 1gjm s THR 234 CO 0.39 -0.52 1.76 0.28 -0.54 0.00 0.00 174.62 176.00 1gjm h SER 235 N 0.14 0.52 -0.44 3.99 0.02 -1.95 -0.65 113.55 115.19 1gjm h SER 235 Ca -0.46 0.09 -0.14 0.00 -0.84 0.00 0.00 61.79 60.44 1gjm h SER 235 Cb 1.24 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 1gjm h SER 235 CO 0.60 0.21 -0.27 -0.78 -1.14 0.00 0.00 176.83 175.45 1gjm h ASP 236 N 0.62 1.00 -0.36 3.07 3.58 -1.99 -1.22 116.42 121.11 1gjm h ASP 236 Ca 0.47 -0.42 -0.11 0.00 0.42 0.00 0.00 57.03 57.39 1gjm h ASP 236 Cb 0.67 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 1gjm h ASP 236 CO -0.37 1.20 -0.17 -0.33 -2.88 0.00 0.00 179.24 176.70 1gjm h GLU 237 N 0.80 0.84 -0.64 0.28 5.08 -1.77 -1.57 114.58 117.59 1gjm h GLU 237 Ca 0.09 -0.32 -0.08 0.00 -1.00 0.00 0.00 59.36 58.06 1gjm h GLU 237 Cb 0.86 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 1gjm h GLU 237 CO 0.08 0.94 0.10 0.00 -1.00 0.00 0.00 179.01 179.13 1gjm h ALA 238 N 1.07 0.96 -0.23 3.43 0.00 -1.03 -0.91 119.26 122.55 1gjm h ALA 238 Ca 0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1gjm h ALA 238 Cb 0.69 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1gjm h ALA 238 CO 0.05 0.65 0.08 -0.22 0.00 0.00 0.00 179.25 179.82 1gjm h LYS 239 N 0.99 0.35 -0.13 0.00 3.64 -0.92 -0.48 116.57 120.02 1gjm h LYS 239 Ca 0.20 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 1gjm h LYS 239 Cb 0.43 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1gjm h LYS 239 CO 0.01 0.41 -0.25 0.00 -2.27 0.00 0.00 179.45 177.35 1gjm h ARG 240 N 0.22 0.24 -0.01 1.90 3.08 -1.04 -0.84 114.38 117.92 1gjm h ARG 240 Ca 0.08 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1gjm h ARG 240 Cb 0.20 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1gjm h ARG 240 CO -0.00 0.48 -0.07 1.98 -1.07 0.00 0.00 179.97 181.29 1gjm h MET 241 N 0.21 0.06 -0.57 0.04 4.05 -0.97 -2.81 114.93 114.94 1gjm h MET 241 Ca 0.03 -0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1gjm h MET 241 Cb 0.57 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.35 1gjm h MET 241 CO 0.04 0.74 0.34 0.00 0.23 0.00 0.00 176.91 178.26 1gjm h GLY 243 N 0.82 1.10 0.93 0.00 0.00 -1.20 -0.60 103.07 104.12 1gjm h GLY 243 Ca 0.20 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 1gjm h GLY 243 CO -0.04 0.43 -0.07 -2.00 0.00 0.00 0.00 176.54 174.86 1gjm h LEU 244 N 1.04 0.66 -1.12 3.11 5.85 -1.25 -2.98 115.31 120.63 1gjm h LEU 244 Ca 0.28 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 58.67 1gjm h LEU 244 Cb -0.07 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 1gjm h LEU 244 CO -0.05 0.86 0.60 -0.07 -0.34 0.00 0.00 178.44 179.44 1gjm h LEU 245 N 0.45 0.99 -0.72 2.25 3.38 -0.64 -1.98 115.31 119.04 1gjm h LEU 245 Ca 0.09 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1gjm h LEU 245 Cb 0.57 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1gjm h LEU 245 CO 0.03 0.69 0.25 -0.07 0.09 0.00 0.00 178.44 179.43 1gjm h LEU 246 N 1.15 1.03 0.13 1.67 4.07 -1.06 0.27 115.31 122.57 1gjm h LEU 246 Ca 0.35 -0.19 -0.01 0.00 0.08 0.00 0.00 57.88 58.11 1gjm h LEU 246 Cb -0.01 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.46 1gjm h LEU 246 CO -0.10 0.95 -0.06 0.58 -1.08 0.00 0.00 178.44 178.73 1gjm h VAL 247 N 1.06 0.97 -0.13 1.22 2.07 -1.28 -0.91 116.25 119.25 1gjm h VAL 247 Ca 0.24 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1gjm h VAL 247 Cb 0.27 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1gjm h VAL 247 CO -0.01 0.09 0.06 1.23 0.02 0.00 0.00 177.57 178.96 1gjm h GLY 248 N -0.35 0.20 2.00 2.17 0.00 -1.23 -2.02 103.07 103.83 1gjm h GLY 248 Ca -0.02 -0.10 -0.09 0.00 0.00 0.00 0.00 47.33 47.12 1gjm h GLY 248 CO 0.03 0.09 -0.44 -1.33 0.00 0.00 0.00 176.54 174.89 1gjm h GLY 249 N 0.08 0.00 0.34 4.60 0.00 -0.48 -3.15 103.07 104.46 1gjm h GLY 249 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 1gjm h GLY 249 CO -0.01 0.00 -1.72 1.04 0.00 0.00 0.00 176.54 175.86 1gjm n LEU 250 N -4.00 0.29 -0.07 3.11 4.77 -0.35 -4.64 117.00 116.11 1gjm n LEU 250 Ca -0.02 0.11 -0.15 0.00 -0.03 0.00 0.00 56.01 55.92 1gjm n LEU 250 Cb 0.47 0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.53 1gjm n LEU 250 CO 0.40 -0.01 -0.95 -0.67 -1.33 0.00 0.00 177.39 174.83 1gjm n ASP 251 N -2.45 1.20 0.05 -1.43 2.03 -0.76 -4.68 116.55 110.52 1gjm n ASP 251 Ca -0.05 0.20 -0.14 0.00 0.52 0.00 0.00 54.79 55.32 1gjm n ASP 251 Cb 0.62 -0.49 -0.08 0.00 -0.72 0.00 0.00 41.12 40.46 1gjm n ASP 251 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1gjm h THR 252 N -0.58 0.10 -0.58 5.18 2.02 -1.68 -2.84 112.91 114.53 1gjm h THR 252 Ca -0.35 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 1gjm h THR 252 Cb 1.24 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 1gjm h THR 252 CO -0.21 0.00 0.26 0.58 0.37 0.00 0.00 175.52 176.52 1gjm h VAL 253 N -0.61 1.20 -0.20 3.16 2.07 -1.89 -2.84 116.25 117.14 1gjm h VAL 253 Ca 0.04 -0.59 0.06 0.00 0.82 0.00 0.00 66.70 67.03 1gjm h VAL 253 Cb 0.68 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.87 1gjm h VAL 253 CO -0.34 0.24 -0.30 0.58 0.02 0.00 0.00 177.57 177.78 1gjm h VAL 254 N 0.82 0.31 -0.59 2.57 2.07 -1.70 -1.18 116.25 118.55 1gjm h VAL 254 Ca 0.20 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.62 1gjm h VAL 254 Cb 0.12 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1gjm h VAL 254 CO -0.02 0.00 -0.02 0.78 0.02 0.00 0.00 177.57 178.33 1gjm h ASN 255 N -0.33 1.04 -0.85 0.57 2.35 -1.45 -3.11 115.58 113.79 1gjm h ASN 255 Ca 0.12 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1gjm h ASN 255 Cb 0.52 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 1gjm h ASN 255 CO -0.39 1.10 0.55 0.15 -1.65 0.00 0.00 177.43 177.19 1gjm h PHE 256 N 0.95 1.09 -0.92 1.19 3.57 -1.17 -2.67 116.94 118.97 1gjm h PHE 256 Ca 0.16 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.73 1gjm h PHE 256 Cb 0.58 -0.36 -0.06 0.00 2.79 0.00 0.00 35.95 38.90 1gjm h PHE 256 CO 0.04 0.70 0.60 -0.07 -2.23 0.00 0.00 178.31 177.35 1gjm h LEU 257 N 1.16 0.96 -0.85 0.59 3.38 -1.16 -1.93 115.31 117.45 1gjm h LEU 257 Ca 0.31 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.18 1gjm h LEU 257 Cb -0.10 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1gjm h LEU 257 CO -0.06 0.64 -0.14 0.28 0.09 0.00 0.00 178.44 179.25 1gjm h SER 258 N 1.11 0.69 -0.29 -0.43 0.02 -1.50 0.11 113.55 113.25 1gjm h SER 258 Ca 0.38 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1gjm h SER 258 Cb 0.09 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1gjm h SER 258 CO -0.13 0.85 0.08 -0.26 -1.14 0.00 0.00 176.83 176.24 1gjm h PHE 259 N 0.63 0.48 -0.42 3.45 0.04 -1.28 -0.35 116.94 119.49 1gjm h PHE 259 Ca 0.10 -0.05 -0.04 0.00 2.80 0.00 0.00 57.97 60.79 1gjm h PHE 259 Cb 0.60 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 1gjm h PHE 259 CO 0.03 0.51 0.12 0.77 -0.60 0.00 0.00 178.31 179.14 1gjm h SER 260 N 0.31 0.62 0.39 2.17 0.02 -1.13 -1.76 113.55 114.16 1gjm h SER 260 Ca 0.09 -0.21 -0.13 0.00 -0.84 0.00 0.00 61.79 60.70 1gjm h SER 260 Cb 0.26 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1gjm h SER 260 CO -0.00 0.67 -0.55 -0.03 -1.14 0.00 0.00 176.83 175.78 1gjm h MET 261 N 0.54 0.17 -0.39 3.45 1.85 -0.92 -1.51 114.93 118.11 1gjm h MET 261 Ca 0.13 -0.11 -0.05 0.00 -0.61 0.00 0.00 59.70 59.07 1gjm h MET 261 Cb 0.27 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.30 1gjm h MET 261 CO -0.00 0.68 0.04 1.49 -0.40 0.00 0.00 176.91 178.71 1gjm h GLU 262 N 0.13 0.67 -0.06 0.39 4.81 -0.90 -0.29 114.58 119.33 1gjm h GLU 262 Ca -0.00 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1gjm h GLU 262 Cb 1.01 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.31 1gjm h GLU 262 CO 0.08 0.74 0.03 0.35 -0.73 0.00 0.00 179.01 179.48 1gjm h PHE 263 N 0.51 0.08 -0.90 0.92 3.57 -1.13 -2.61 116.94 117.37 1gjm h PHE 263 Ca 0.12 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1gjm h PHE 263 Cb 0.41 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.08 1gjm h PHE 263 CO 0.03 0.14 0.59 -0.07 -2.23 0.00 0.00 178.31 176.77 1gjm h LEU 264 N 0.00 1.02 -2.35 0.59 3.38 -1.13 -1.06 115.31 115.76 1gjm h LEU 264 Ca 0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1gjm h LEU 264 Cb 0.08 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1gjm h LEU 264 CO -0.00 0.74 -0.04 0.00 0.09 0.00 0.00 178.44 179.23 1gjm h ALA 265 N 1.33 1.22 -0.00 1.53 0.00 -0.90 -1.82 119.26 120.62 1gjm h ALA 265 Ca 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1gjm h ALA 265 Cb -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1gjm h ALA 265 CO -0.08 0.05 -0.81 1.63 0.00 0.00 0.00 179.25 180.04 1gjm n LYS 266 N -3.45 0.08 -3.68 0.00 5.02 -0.49 -4.23 118.16 111.42 1gjm n LYS 266 Ca -0.02 -0.06 -0.29 0.00 -2.02 0.00 0.00 58.31 55.91 1gjm n LYS 266 Cb 0.15 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.54 1gjm n LYS 266 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1gjm s SER 267 N -2.96 3.51 0.46 4.39 0.15 -0.68 -4.95 113.70 113.62 1gjm s SER 267 Ca 0.10 -2.75 0.17 0.00 0.70 0.00 0.00 55.95 54.17 1gjm s SER 267 Cb 0.17 -1.00 1.13 0.00 -1.71 0.00 0.00 66.02 64.61 1gjm s SER 267 CO 0.80 -0.24 1.97 -0.65 1.20 0.00 0.00 173.24 176.32 1gjm h PRO 268 N 6.53 0.30 -0.57 5.44 0.11 -1.86 -0.19 132.00 141.77 1gjm h PRO 268 Ca 0.03 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.05 1gjm h PRO 268 Cb 0.91 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 1gjm h PRO 268 CO 0.48 0.20 0.04 1.05 -0.21 0.00 0.00 178.00 179.56 1gjm h GLU 269 N 0.30 0.95 -0.00 1.05 9.09 -1.92 -0.97 114.58 123.09 1gjm h GLU 269 Ca 0.29 -0.26 -0.16 0.00 0.05 0.00 0.00 59.36 59.28 1gjm h GLU 269 Cb 0.71 -0.11 -0.02 0.00 -1.65 0.00 0.00 28.75 27.68 1gjm h GLU 269 CO -0.07 0.91 -0.76 0.45 0.05 0.00 0.00 179.01 179.60 1gjm h HIS 270 N 0.88 0.01 0.03 2.06 3.86 -1.41 -2.32 115.15 118.26 1gjm h HIS 270 Ca 0.17 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1gjm h HIS 270 Cb 0.46 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.93 1gjm h HIS 270 CO 0.03 0.76 -0.02 0.00 0.86 0.00 0.00 177.93 179.56 1gjm h ARG 271 N 0.00 -0.04 -0.87 2.45 3.08 -1.06 -2.85 114.38 115.10 1gjm h ARG 271 Ca -0.01 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.08 1gjm h ARG 271 Cb 1.34 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 31.35 1gjm h ARG 271 CO 0.10 0.32 0.57 0.37 -1.07 0.00 0.00 179.97 180.26 1gjm h GLN 272 N -0.41 1.05 -0.25 0.04 5.75 -1.20 -0.38 115.11 119.71 1gjm h GLN 272 Ca -0.00 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.45 1gjm h GLN 272 Cb 0.38 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 1gjm h GLN 272 CO 0.01 0.70 0.12 1.49 -2.65 0.00 0.00 178.83 178.49 1gjm h GLU 273 N 1.08 0.25 -0.00 1.69 4.81 -1.35 0.42 114.58 121.49 1gjm h GLU 273 Ca 0.35 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.46 1gjm h GLU 273 Cb 0.03 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1gjm h GLU 273 CO -0.11 0.17 -0.51 -0.07 -0.73 0.00 0.00 179.01 177.76 1gjm h LEU 274 N 0.26 0.00 -0.17 1.64 3.38 -1.18 0.11 115.31 119.35 1gjm h LEU 274 Ca 0.10 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1gjm h LEU 274 Cb 0.03 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1gjm h LEU 274 CO -0.07 0.51 -0.01 0.40 0.09 0.00 0.00 178.44 179.35 1gjm h ILE 275 N 0.00 1.26 -0.04 1.22 2.04 -0.51 -2.79 117.51 118.70 1gjm h ILE 275 Ca -0.00 -0.89 -0.25 0.00 1.00 0.00 0.00 64.86 64.72 1gjm h ILE 275 Cb 0.90 1.52 0.01 0.00 -0.74 0.00 0.00 36.82 38.51 1gjm h ILE 275 CO 0.07 0.27 -0.96 -0.33 0.00 0.00 0.00 178.15 177.20 1gjm h GLU 276 N 0.04 0.66 -2.40 2.37 5.08 -0.83 -3.38 114.58 116.13 1gjm h GLU 276 Ca 0.05 -0.66 -0.61 0.00 -1.00 0.00 0.00 59.36 57.13 1gjm h GLU 276 Cb 0.41 0.18 -0.41 0.00 0.50 0.00 0.00 28.75 29.42 1gjm h GLU 276 CO 0.01 1.26 -0.53 0.54 -1.00 0.00 0.00 179.01 179.29 1gjm n ARG 277 N -3.85 2.48 0.22 2.33 5.12 0.37 -4.92 116.66 118.40 1gjm n ARG 277 Ca -0.09 -4.64 0.18 0.00 -1.93 0.00 0.00 57.85 51.37 1gjm n ARG 277 Cb 0.84 -2.28 0.84 0.00 -1.16 0.00 0.00 32.46 30.70 1gjm n ARG 277 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1gjm h PRO 278 N 4.47 0.00 0.00 5.56 0.11 -1.68 -0.05 132.00 140.41 1gjm h PRO 278 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1gjm h PRO 278 Cb 0.68 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.79 1gjm h PRO 278 CO 0.83 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.77 1gjm n GLU 279 N -3.50 0.13 0.00 1.05 0.00 -1.26 -1.80 120.64 115.26 1gjm n GLU 279 Ca 0.02 0.39 0.13 0.00 0.00 0.00 0.00 57.16 57.70 1gjm n GLU 279 Cb 0.40 -1.75 0.45 0.00 0.00 0.00 0.00 31.44 30.53 1gjm n GLU 279 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1gjm n ARG 280 N -1.99 0.61 -0.21 3.44 1.74 -0.03 -4.30 116.66 115.93 1gjm n ARG 280 Ca 0.02 -0.30 -0.02 0.00 -0.77 0.00 0.00 57.85 56.78 1gjm n ARG 280 Cb 0.19 -1.49 0.09 0.00 -1.02 0.00 0.00 32.46 30.22 1gjm n ARG 280 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1gjm h ILE 281 N 0.73 0.92 -0.85 0.55 2.04 -1.52 0.17 117.51 119.56 1gjm h ILE 281 Ca 0.00 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1gjm h ILE 281 Cb 0.45 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 1gjm h ILE 281 CO 0.00 0.10 0.55 -0.65 0.00 0.00 0.00 178.15 178.15 1gjm h PRO 282 N 0.57 1.13 -0.47 2.37 0.11 -1.82 0.06 132.00 133.96 1gjm h PRO 282 Ca 0.28 -0.08 -0.11 0.00 0.11 0.00 0.00 66.00 66.20 1gjm h PRO 282 Cb 0.21 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 1gjm h PRO 282 CO -0.20 0.76 -0.13 0.00 -0.21 0.00 0.00 178.00 178.22 1gjm h ALA 283 N 1.44 0.64 -0.69 -0.75 0.00 -1.53 -2.65 119.26 115.73 1gjm h ALA 283 Ca 0.31 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1gjm h ALA 283 Cb -0.11 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1gjm h ALA 283 CO -0.06 0.56 0.32 0.00 0.00 0.00 0.00 179.25 180.06 1gjm h ALA 284 N 0.87 1.27 -0.20 0.00 0.00 -0.15 -1.47 119.26 119.59 1gjm h ALA 284 Ca 0.12 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1gjm h ALA 284 Cb 0.68 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1gjm h ALA 284 CO 0.05 0.56 0.11 0.00 0.00 0.00 0.00 179.25 179.97 1gjm h GLU 286 N 0.23 0.79 -0.66 0.00 4.57 -1.18 -0.01 114.58 118.32 1gjm h GLU 286 Ca 0.08 -0.14 -0.06 0.00 -1.18 0.00 0.00 59.36 58.06 1gjm h GLU 286 Cb -0.00 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.43 1gjm h GLU 286 CO -0.04 0.68 0.19 1.49 -1.18 0.00 0.00 179.01 180.15 1gjm h GLU 287 N 0.71 1.05 -0.10 1.92 4.57 -1.05 -2.06 114.58 119.62 1gjm h GLU 287 Ca 0.18 -0.24 -0.10 0.00 -1.18 0.00 0.00 59.36 58.02 1gjm h GLU 287 Cb 0.18 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 1gjm h GLU 287 CO -0.02 0.92 -0.41 -0.07 -1.18 0.00 0.00 179.01 178.26 1gjm h LEU 288 N 0.98 0.23 -1.18 1.64 3.38 -0.68 -1.12 115.31 118.56 1gjm h LEU 288 Ca 0.21 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 1gjm h LEU 288 Cb 0.33 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1gjm h LEU 288 CO -0.00 0.62 -0.25 -0.07 0.09 0.00 0.00 178.44 178.82 1gjm h LEU 289 N 0.19 0.24 0.24 1.67 3.38 -0.52 0.19 115.31 120.70 1gjm h LEU 289 Ca 0.02 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1gjm h LEU 289 Cb 0.80 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1gjm h LEU 289 CO 0.06 0.51 -0.12 -0.09 0.09 0.00 0.00 178.44 178.89 1gjm h ARG 290 N 0.22 -0.31 -0.54 1.13 2.43 -0.86 -2.63 114.38 113.82 1gjm h ARG 290 Ca 0.04 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1gjm h ARG 290 Cb 0.57 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 1gjm h ARG 290 CO 0.04 -0.07 0.31 -0.09 -1.51 0.00 0.00 179.97 178.65 1gjm h ARG 291 N -1.03 0.73 -0.58 0.20 9.65 -1.15 -2.87 114.38 119.33 1gjm h ARG 291 Ca -0.03 -0.06 -0.38 0.00 -1.10 0.00 0.00 59.98 58.40 1gjm h ARG 291 Cb 0.39 -0.15 -0.25 0.00 -1.39 0.00 0.00 29.97 28.57 1gjm h ARG 291 CO 0.05 0.52 -0.22 1.19 2.80 0.00 0.00 179.97 184.31 1gjm n PHE 292 N -4.42 1.97 -1.65 2.20 3.72 0.64 -4.96 117.46 114.96 1gjm n PHE 292 Ca 0.05 -2.06 -0.39 0.00 -0.05 0.00 0.00 57.45 55.00 1gjm n PHE 292 Cb 0.08 -0.58 0.03 0.00 -0.94 0.00 0.00 39.48 38.08 1gjm n PHE 292 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1gjm n SER 293 N -0.95 1.53 0.00 4.37 2.88 -0.99 -4.91 113.62 115.55 1gjm n SER 293 Ca 0.41 0.94 0.00 0.00 -1.33 0.00 0.00 58.87 58.89 1gjm n SER 293 Cb 0.93 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 1gjm n SER 293 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gjm n LEU 294 N -0.34 0.03 -4.87 2.46 -0.00 -1.26 -4.83 117.00 108.20 1gjm n LEU 294 Ca 0.11 -0.03 -0.33 0.00 -0.00 0.00 0.00 56.01 55.76 1gjm n LEU 294 Cb 0.44 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.80 1gjm n LEU 294 CO 0.53 0.01 -0.19 -0.69 -0.00 0.00 0.00 177.39 177.06 1gjm s VAL 295 N -0.00 5.21 -0.29 1.47 1.01 -1.26 -1.13 120.40 125.40 1gjm s VAL 295 Ca 0.00 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.74 1gjm s VAL 295 Cb 0.00 -3.44 0.17 0.00 0.00 0.00 0.00 36.38 33.11 1gjm s VAL 295 CO 0.00 0.30 0.46 0.00 0.00 0.00 0.00 175.10 175.86 1gjm s ALA 296 N -1.31 -1.55 0.00 5.51 0.00 0.09 -1.60 121.76 122.90 1gjm s ALA 296 Ca 0.27 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.68 1gjm s ALA 296 Cb -0.12 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.78 1gjm s ALA 296 CO 0.19 -1.78 0.00 -0.40 0.00 0.00 0.00 175.76 173.76 1gjm n ASP 297 N 5.36 1.54 0.00 0.00 5.75 -1.26 -4.46 116.55 123.47 1gjm n ASP 297 Ca 0.02 -0.99 0.00 0.00 -0.01 0.00 0.00 54.79 53.81 1gjm n ASP 297 Cb 0.51 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 1gjm n ASP 297 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1gjm n GLY 298 N 3.84 4.23 3.29 6.12 0.00 -1.26 -1.57 105.19 119.84 1gjm n GLY 298 Ca 0.00 -1.10 -0.18 0.00 0.00 0.00 0.00 46.02 44.73 1gjm n GLY 298 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gjm s ARG 299 N 1.07 1.66 -0.01 1.61 1.81 -0.08 -4.86 118.95 120.15 1gjm s ARG 299 Ca 0.00 -1.95 0.04 0.00 -1.72 0.00 0.00 55.73 52.10 1gjm s ARG 299 Cb 0.00 0.22 -0.01 0.00 -0.45 0.00 0.00 34.95 34.71 1gjm s ARG 299 CO 0.00 -0.58 -0.14 -1.50 -0.68 0.00 0.00 175.30 172.41 1gjm s ILE 300 N -3.57 1.09 0.03 1.52 2.07 0.19 -1.28 121.20 121.24 1gjm s ILE 300 Ca 0.39 -0.61 -0.30 0.00 -1.41 0.00 0.00 60.65 58.71 1gjm s ILE 300 Cb 0.03 -0.91 -0.05 0.00 0.13 0.00 0.00 42.46 41.66 1gjm s ILE 300 CO 0.23 0.29 1.22 -0.76 -1.91 0.00 0.00 174.94 174.01 1gjm s LEU 301 N -0.37 4.34 0.36 8.50 1.02 -0.01 -0.48 118.68 132.04 1gjm s LEU 301 Ca 0.05 1.98 0.23 0.00 0.02 0.00 0.00 54.13 56.42 1gjm s LEU 301 Cb -0.05 -3.57 0.29 0.00 0.02 0.00 0.00 46.19 42.87 1gjm s LEU 301 CO -0.00 -0.52 1.48 0.71 0.02 0.00 0.00 176.35 178.03 1gjm h THR 302 N 4.66 0.00 -3.20 5.49 1.35 -1.36 0.44 112.91 120.29 1gjm h THR 302 Ca -0.40 -0.95 -0.00 0.00 -0.55 0.00 0.00 66.41 64.51 1gjm h THR 302 Cb 1.20 1.82 -0.04 0.00 -1.73 0.00 0.00 68.15 69.39 1gjm h THR 302 CO 0.84 0.00 0.15 -0.94 -0.25 0.00 0.00 175.52 175.32 1gjm s SER 303 N -5.83 -0.06 0.16 5.36 1.04 -1.26 -4.77 113.70 108.33 1gjm s SER 303 Ca 0.05 -0.90 -0.31 0.00 0.48 0.00 0.00 55.95 55.28 1gjm s SER 303 Cb 0.07 0.74 -0.09 0.00 0.10 0.00 0.00 66.02 66.84 1gjm s SER 303 CO 0.70 -1.42 1.43 -1.81 0.98 0.00 0.00 173.24 173.12 1gjm s ASP 304 N -3.01 6.75 -0.24 7.02 1.11 -1.26 -3.44 116.67 123.61 1gjm s ASP 304 Ca 0.16 2.46 -0.14 0.00 0.18 0.00 0.00 52.55 55.21 1gjm s ASP 304 Cb -0.04 -2.60 0.07 0.00 1.07 0.00 0.00 42.92 41.42 1gjm s ASP 304 CO 0.10 -0.68 0.59 -0.47 1.18 0.00 0.00 175.17 175.89 1gjm s TYR 305 N 0.78 -0.88 -0.22 4.23 5.04 0.67 -4.92 117.35 122.05 1gjm s TYR 305 Ca 0.64 1.82 -0.21 0.00 -2.44 0.00 0.00 57.07 56.88 1gjm s TYR 305 Cb -0.39 0.48 -0.02 0.00 0.35 0.00 0.00 41.96 42.37 1gjm s TYR 305 CO 0.34 -0.45 0.63 -2.00 -1.34 0.00 0.00 175.55 172.73 1gjm s GLU 306 N 1.43 4.17 -0.20 4.97 2.12 -1.26 -0.22 118.70 129.72 1gjm s GLU 306 Ca -0.09 0.59 0.01 0.00 0.36 0.00 0.00 54.97 55.84 1gjm s GLU 306 Cb -0.06 -3.60 0.04 0.00 0.26 0.00 0.00 34.13 30.77 1gjm s GLU 306 CO -0.16 -0.30 -0.11 0.12 -0.54 0.00 0.00 175.26 174.27 1gjm s PHE 307 N 2.13 2.43 -1.34 5.30 5.36 0.11 -4.78 117.98 127.19 1gjm s PHE 307 Ca 0.28 -1.59 -0.01 0.00 -0.96 0.00 0.00 56.93 54.65 1gjm s PHE 307 Cb -0.16 -1.65 0.00 0.00 -0.34 0.00 0.00 43.02 40.87 1gjm s PHE 307 CO 0.10 -0.74 0.64 0.72 -1.46 0.00 0.00 175.22 174.47 1gjm n HIS 308 N 4.68 -1.86 -0.90 10.12 8.25 -1.26 -1.14 115.22 133.11 1gjm n HIS 308 Ca -0.15 0.82 0.00 0.00 -0.26 0.00 0.00 57.72 58.13 1gjm n HIS 308 Cb 0.47 -4.21 0.00 0.00 1.12 0.00 0.00 29.99 27.37 1gjm n HIS 308 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gjm n GLY 309 N -1.68 0.89 3.45 -1.41 0.00 -1.26 -5.00 105.19 100.18 1gjm n GLY 309 Ca -0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 1gjm n GLY 309 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gjm s VAL 310 N -3.53 3.80 -0.53 1.61 1.01 -0.30 -5.07 120.40 117.39 1gjm s VAL 310 Ca 0.00 -0.38 -0.27 0.00 0.00 0.00 0.00 61.98 61.33 1gjm s VAL 310 Cb 0.00 -2.68 0.03 0.00 0.00 0.00 0.00 36.38 33.73 1gjm s VAL 310 CO 0.00 0.47 1.06 -1.58 0.00 0.00 0.00 175.10 175.04 1gjm s GLN 311 N 0.70 3.51 -0.06 2.72 -0.44 -1.26 0.07 119.66 124.89 1gjm s GLN 311 Ca -0.02 0.16 -0.12 0.00 -2.50 0.00 0.00 55.36 52.88 1gjm s GLN 311 Cb -0.14 -3.98 -0.05 0.00 -1.64 0.00 0.00 33.01 27.19 1gjm s GLN 311 CO 0.02 -1.47 0.30 -0.51 0.50 0.00 0.00 175.29 174.13 1gjm s LEU 312 N 4.32 4.43 0.04 3.68 1.43 0.70 -4.88 118.68 128.39 1gjm s LEU 312 Ca 0.39 0.74 -0.01 0.00 -1.03 0.00 0.00 54.13 54.22 1gjm s LEU 312 Cb -0.09 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 1gjm s LEU 312 CO 0.25 0.34 0.19 -0.75 0.23 0.00 0.00 176.35 176.62 1gjm s LYS 313 N -0.95 3.41 0.22 1.70 2.20 -1.26 -0.24 119.74 124.83 1gjm s LYS 313 Ca 0.20 -0.41 -0.32 0.00 -0.36 0.00 0.00 55.97 55.08 1gjm s LYS 313 Cb -0.15 -3.04 -0.13 0.00 -1.51 0.00 0.00 37.83 33.00 1gjm s LYS 313 CO 0.09 0.63 1.52 1.17 -0.36 0.00 0.00 175.35 178.40 1gjm n LYS 314 N 0.51 2.25 -0.06 4.03 4.81 -1.22 -0.91 118.16 127.57 1gjm n LYS 314 Ca -0.07 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 1gjm n LYS 314 Cb 0.52 -2.53 0.00 0.00 0.02 0.00 0.00 35.03 33.03 1gjm n LYS 314 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1gjm n GLY 315 N 2.67 1.52 3.77 3.14 0.00 0.14 -4.95 105.19 111.48 1gjm n GLY 315 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1gjm n GLY 315 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gjm s ASP 316 N -3.06 6.89 0.05 1.61 1.11 -0.09 -4.72 116.67 118.45 1gjm s ASP 316 Ca 0.00 2.54 -0.10 0.00 0.18 0.00 0.00 52.55 55.17 1gjm s ASP 316 Cb 0.00 -2.64 -0.06 0.00 1.07 0.00 0.00 42.92 41.29 1gjm s ASP 316 CO 0.00 -0.44 0.37 -1.10 1.18 0.00 0.00 175.17 175.19 1gjm s GLN 317 N -1.74 3.75 -0.06 8.23 -0.21 -1.26 -0.83 119.66 127.54 1gjm s GLN 317 Ca 0.48 0.17 -0.01 0.00 0.02 0.00 0.00 55.36 56.03 1gjm s GLN 317 Cb -0.37 -3.06 0.03 0.00 1.00 0.00 0.00 33.01 30.61 1gjm s GLN 317 CO 0.48 0.61 -0.01 -1.50 -2.12 0.00 0.00 175.29 172.75 1gjm s ILE 318 N -1.31 0.37 -0.11 1.08 2.07 -0.41 -1.12 121.20 121.77 1gjm s ILE 318 Ca 0.30 0.07 -0.22 0.00 -1.41 0.00 0.00 60.65 59.39 1gjm s ILE 318 Cb -0.14 -0.49 -0.03 0.00 0.13 0.00 0.00 42.46 41.92 1gjm s ILE 318 CO 0.16 0.23 0.64 -0.22 -1.91 0.00 0.00 174.94 173.84 1gjm s LEU 319 N 1.61 4.27 -0.58 8.50 2.96 -0.01 -0.90 118.68 134.52 1gjm s LEU 319 Ca -0.01 1.03 0.04 0.00 -0.22 0.00 0.00 54.13 54.97 1gjm s LEU 319 Cb -0.13 -2.96 0.14 0.00 0.50 0.00 0.00 46.19 43.75 1gjm s LEU 319 CO -0.03 -0.13 0.34 -0.76 -1.32 0.00 0.00 176.35 174.44 1gjm s LEU 320 N 1.05 4.43 -0.32 -0.68 1.43 -0.61 -1.93 118.68 122.04 1gjm s LEU 320 Ca 0.33 -3.30 -0.28 0.00 -1.03 0.00 0.00 54.13 49.86 1gjm s LEU 320 Cb -0.17 -1.62 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 1gjm s LEU 320 CO 0.14 -0.18 2.15 -2.84 0.23 0.00 0.00 176.35 175.85 1gjm s PRO 321 N -0.68 2.93 0.42 1.29 0.02 -1.26 -4.21 135.00 133.51 1gjm s PRO 321 Ca 0.20 1.70 0.11 0.00 0.02 0.00 0.00 61.00 63.03 1gjm s PRO 321 Cb -0.18 -4.38 0.96 0.00 0.02 0.00 0.00 34.50 30.91 1gjm s PRO 321 CO -0.06 -2.34 1.99 1.96 -0.33 0.00 0.00 177.00 178.23 1gjm h GLN 322 N 15.55 0.47 -0.18 5.54 7.50 -1.80 -1.80 115.11 140.39 1gjm h GLN 322 Ca -0.35 -0.03 -0.03 0.00 0.50 0.00 0.00 58.65 58.74 1gjm h GLN 322 Cb 1.23 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 28.64 1gjm h GLN 322 CO 1.03 0.31 -0.03 0.00 -1.50 0.00 0.00 178.83 178.64 1gjm h MET 323 N 0.48 0.26 -0.11 1.46 -0.00 -1.58 -3.25 114.93 112.19 1gjm h MET 323 Ca 0.26 -0.04 -0.13 0.00 -0.00 0.00 0.00 59.70 59.78 1gjm h MET 323 Cb 0.39 -0.04 -0.01 0.00 -0.00 0.00 0.00 31.60 31.93 1gjm h MET 323 CO -0.07 0.31 -0.51 -0.07 -0.00 0.00 0.00 176.91 176.56 1gjm h LEU 324 N 0.25 0.33 -0.41 -0.10 3.38 -1.63 -3.35 115.31 113.79 1gjm h LEU 324 Ca 0.06 -0.17 0.08 0.00 0.09 0.00 0.00 57.88 57.94 1gjm h LEU 324 Cb 0.22 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.79 1gjm h LEU 324 CO 0.01 0.79 -0.36 0.28 0.09 0.00 0.00 178.44 179.24 1gjm h SER 325 N 0.24 -1.21 0.88 -0.43 0.02 -1.66 -1.85 113.55 109.54 1gjm h SER 325 Ca 0.01 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1gjm h SER 325 Cb 0.99 0.55 0.00 0.00 0.14 0.00 0.00 62.40 64.08 1gjm h SER 325 CO 0.08 -0.34 0.00 0.61 -1.14 0.00 0.00 176.83 176.04 1gjm n GLY 326 N -1.42 -1.35 0.00 -3.77 0.00 -1.26 -2.31 105.19 95.09 1gjm n GLY 326 Ca 0.01 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.17 1gjm n GLY 326 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1gjm n LEU 327 N -2.07 0.53 -4.66 0.99 4.77 -0.74 -4.63 117.00 111.18 1gjm n LEU 327 Ca 0.03 -0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 1gjm n LEU 327 Cb 0.27 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1gjm n LEU 327 CO 0.22 0.13 1.27 -0.62 -1.33 0.00 0.00 177.39 177.06 1gjm s ASP 328 N -2.99 6.76 0.34 -1.43 -1.08 -0.93 -4.74 116.67 112.59 1gjm s ASP 328 Ca 0.11 2.09 0.24 0.00 -0.52 0.00 0.00 52.55 54.47 1gjm s ASP 328 Cb 0.17 -2.54 1.22 0.00 -1.46 0.00 0.00 42.92 40.32 1gjm s ASP 328 CO 0.70 -0.86 1.73 1.05 0.52 0.00 0.00 175.17 178.32 1gjm h GLU 329 N 8.97 0.00 0.00 4.34 4.11 -1.89 0.20 114.58 130.31 1gjm h GLU 329 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.07 1gjm h GLU 329 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1gjm h GLU 329 CO 0.95 0.00 0.00 0.54 0.07 0.00 0.00 179.01 180.57 1gjm n ARG 330 N -2.34 0.19 -0.08 1.06 1.74 -1.26 -3.57 116.66 112.41 1gjm n ARG 330 Ca -0.01 0.19 -0.10 0.00 -0.77 0.00 0.00 57.85 57.16 1gjm n ARG 330 Cb 0.09 -1.74 -0.10 0.00 -1.02 0.00 0.00 32.46 29.70 1gjm n ARG 330 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1gjm n GLU 331 N -2.08 1.05 -3.74 5.56 1.02 0.61 -4.99 120.64 118.07 1gjm n GLU 331 Ca 0.05 0.05 -0.14 0.00 -0.02 0.00 0.00 57.16 57.10 1gjm n GLU 331 Cb 0.38 -1.36 -0.15 0.00 -0.02 0.00 0.00 31.44 30.29 1gjm n GLU 331 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1gjm s ASN 332 N -5.27 0.06 0.37 1.62 0.01 -0.69 -4.70 114.94 106.33 1gjm s ASN 332 Ca -0.16 0.25 -0.27 0.00 -0.71 0.00 0.00 52.86 51.97 1gjm s ASN 332 Cb 0.05 0.14 -0.09 0.00 0.41 0.00 0.00 41.25 41.76 1gjm s ASN 332 CO 0.50 -0.16 1.21 0.00 -1.51 0.00 0.00 177.10 177.14 1gjm s ALA 333 N 1.31 3.27 -1.33 0.60 0.00 -1.26 -3.14 121.76 121.22 1gjm s ALA 333 Ca -0.07 1.06 -0.08 0.00 0.00 0.00 0.00 51.96 52.86 1gjm s ALA 333 Cb -0.12 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1gjm s ALA 333 CO -0.05 -0.54 0.51 0.00 0.00 0.00 0.00 175.76 175.67 1gjm n ALA 334 N 0.39 -2.20 0.14 0.00 0.00 -1.26 -4.85 120.51 112.72 1gjm n ALA 334 Ca 0.03 -0.30 0.18 0.00 0.00 0.00 0.00 53.44 53.34 1gjm n ALA 334 Cb 0.45 -2.21 0.77 0.00 0.00 0.00 0.00 19.45 18.45 1gjm n ALA 334 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1gjm h PRO 335 N -1.92 0.00 -0.01 0.00 0.13 -1.83 -0.20 132.00 128.17 1gjm h PRO 335 Ca -0.65 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 1gjm h PRO 335 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1gjm h PRO 335 CO 0.58 0.00 -0.10 -1.33 -0.23 0.00 0.00 178.00 176.92 1gjm n MET 336 N -3.99 0.96 -3.62 0.86 2.81 -1.26 -4.81 117.12 108.07 1gjm n MET 336 Ca 0.04 -0.42 -0.37 0.00 -1.81 0.00 0.00 57.70 55.15 1gjm n MET 336 Cb 0.43 -1.49 -0.07 0.00 -0.71 0.00 0.00 33.22 31.38 1gjm n MET 336 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1gjm s HIS 337 N -2.32 3.56 -0.33 2.03 5.04 -0.09 -5.05 115.29 118.13 1gjm s HIS 337 Ca 0.32 0.67 -0.22 0.00 -1.54 0.00 0.00 55.06 54.29 1gjm s HIS 337 Cb 0.20 -2.22 -0.00 0.00 0.04 0.00 0.00 32.58 30.60 1gjm s HIS 337 CO 0.44 0.47 0.70 0.08 -2.34 0.00 0.00 174.74 174.09 1gjm s VAL 338 N -0.30 4.85 -0.31 0.89 1.01 -1.26 -5.01 120.40 120.26 1gjm s VAL 338 Ca 0.17 0.89 0.00 0.00 0.00 0.00 0.00 61.98 63.05 1gjm s VAL 338 Cb -0.14 -4.10 0.10 0.00 0.00 0.00 0.00 36.38 32.24 1gjm s VAL 338 CO 0.06 -0.26 0.08 -0.62 0.00 0.00 0.00 175.10 174.35 1gjm s ASP 339 N 1.71 4.13 0.58 3.32 2.15 -1.26 -4.99 116.67 122.31 1gjm s ASP 339 Ca 0.28 -1.68 0.28 0.00 0.43 0.00 0.00 52.55 51.86 1gjm s ASP 339 Cb -0.14 -1.04 1.71 0.00 -0.30 0.00 0.00 42.92 43.16 1gjm s ASP 339 CO 0.14 -0.39 2.19 -0.26 -0.17 0.00 0.00 175.17 176.67 1gjm h PHE 340 N 7.99 0.00 -0.46 -5.34 0.04 -1.95 -0.62 116.94 116.60 1gjm h PHE 340 Ca -0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.65 1gjm h PHE 340 Cb 1.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.17 1gjm h PHE 340 CO 0.39 0.00 0.00 0.43 -0.60 0.00 0.00 178.31 178.53 1gjm n SER 341 N -3.89 2.67 -4.66 2.17 7.64 -1.26 -4.57 113.62 111.72 1gjm n SER 341 Ca -0.01 -2.06 -0.49 0.00 1.01 0.00 0.00 58.87 57.31 1gjm n SER 341 Cb 0.18 -0.35 -0.05 0.00 -1.01 0.00 0.00 64.21 62.98 1gjm n SER 341 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1gjm n ARG 342 N 0.82 1.80 0.50 1.43 0.63 -0.24 -4.90 116.66 116.70 1gjm n ARG 342 Ca 0.16 0.65 -0.20 0.00 -0.92 0.00 0.00 57.85 57.54 1gjm n ARG 342 Cb 0.44 -2.40 -0.10 0.00 0.45 0.00 0.00 32.46 30.86 1gjm n ARG 342 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 1gjm h GLN 343 N 6.49 -1.22 -3.66 -0.14 5.75 -1.93 -3.39 115.11 117.01 1gjm h GLN 343 Ca -0.47 0.08 -0.64 0.00 -0.15 0.00 0.00 58.65 57.47 1gjm h GLN 343 Cb 1.28 0.28 -0.41 0.00 1.07 0.00 0.00 27.48 29.71 1gjm h GLN 343 CO 0.88 -0.82 -0.65 0.15 -2.65 0.00 0.00 178.83 175.75 1gjm s LYS 344 N -5.86 1.86 -0.81 1.69 1.02 -1.26 -5.05 119.74 111.33 1gjm s LYS 344 Ca -0.19 -2.46 -0.26 0.00 0.02 0.00 0.00 55.97 53.09 1gjm s LYS 344 Cb 0.02 -3.28 0.02 0.00 -0.52 0.00 0.00 37.83 34.06 1gjm s LYS 344 CO 0.58 -1.07 1.52 0.08 -0.92 0.00 0.00 175.35 175.54 1gjm s VAL 345 N -0.03 3.67 -0.13 3.17 1.01 -1.26 -4.94 120.40 121.89 1gjm s VAL 345 Ca 0.16 -0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.93 1gjm s VAL 345 Cb -0.24 -4.65 -0.04 0.00 0.00 0.00 0.00 36.38 31.44 1gjm s VAL 345 CO -0.02 -1.58 0.43 -0.55 0.00 0.00 0.00 175.10 173.38 1gjm s SER 346 N 5.44 6.62 0.13 3.32 0.15 -1.26 -5.05 113.70 123.05 1gjm s SER 346 Ca 0.48 0.74 -0.26 0.00 0.70 0.00 0.00 55.95 57.62 1gjm s SER 346 Cb -0.07 -2.26 0.07 0.00 -1.71 0.00 0.00 66.02 62.05 1gjm s SER 346 CO 0.08 0.03 0.99 -1.38 1.20 0.00 0.00 173.24 174.16 1gjm s HIS 347 N 0.57 -0.13 -0.12 3.44 -3.43 -1.26 -4.15 115.29 110.21 1gjm s HIS 347 Ca 0.24 -0.15 0.21 0.00 -0.80 0.00 0.00 55.06 54.55 1gjm s HIS 347 Cb -0.15 0.63 0.45 0.00 -1.43 0.00 0.00 32.58 32.08 1gjm s HIS 347 CO 0.09 -0.76 1.17 0.25 -2.00 0.00 0.00 174.74 173.48 1gjm n THR 348 N -0.47 0.94 -0.33 -5.38 -2.24 -1.26 -4.89 114.28 100.65 1gjm n THR 348 Ca -0.06 -2.13 0.10 0.00 -2.27 0.00 0.00 64.05 59.69 1gjm n THR 348 Cb 0.61 0.61 0.27 0.00 -2.10 0.00 0.00 70.33 69.71 1gjm n THR 348 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1gjm h THR 349 N 5.01 0.76 -0.45 4.28 2.02 -1.87 0.14 112.91 122.80 1gjm h THR 349 Ca -0.11 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1gjm h THR 349 Cb 1.55 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1gjm h THR 349 CO 0.15 0.14 0.00 0.49 0.37 0.00 0.00 175.52 176.67 1gjm n PHE 350 N -4.78 1.19 0.00 3.16 3.72 -1.26 -4.76 117.46 114.74 1gjm n PHE 350 Ca 0.20 -0.45 0.00 0.00 -0.05 0.00 0.00 57.45 57.15 1gjm n PHE 350 Cb 0.48 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 1gjm n PHE 350 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1gjm n GLY 351 N 0.77 -2.21 3.61 1.37 0.00 0.50 -0.38 105.19 108.86 1gjm n GLY 351 Ca 0.19 -2.08 -0.14 0.00 0.00 0.00 0.00 46.02 43.99 1gjm n GLY 351 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1gjm s HIS 352 N -0.21 -0.71 0.00 1.61 2.46 -1.26 -4.64 115.29 112.53 1gjm s HIS 352 Ca 0.00 1.66 0.00 0.00 0.47 0.00 0.00 55.06 57.19 1gjm s HIS 352 Cb 0.00 0.31 0.00 0.00 -0.13 0.00 0.00 32.58 32.76 1gjm s HIS 352 CO 0.00 -0.39 0.00 0.41 -2.47 0.00 0.00 174.74 172.29 1gjm n GLY 353 N 2.28 -1.77 0.02 1.59 0.00 -1.26 -4.32 105.19 101.73 1gjm n GLY 353 Ca -0.14 -1.76 0.04 0.00 0.00 0.00 0.00 46.02 44.16 1gjm n GLY 353 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gjm n SER 354 N 0.03 0.09 -1.49 1.61 3.41 -1.26 -2.80 113.62 113.21 1gjm n SER 354 Ca 0.00 0.54 -0.04 0.00 -0.26 0.00 0.00 58.87 59.10 1gjm n SER 354 Cb 0.00 -0.55 0.24 0.00 -0.26 0.00 0.00 64.21 63.64 1gjm n SER 354 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1gjm n HIS 355 N -1.62 1.73 -1.63 7.33 -0.00 -1.26 -5.03 115.22 114.74 1gjm n HIS 355 Ca 0.01 -1.34 -0.47 0.00 -0.00 0.00 0.00 57.72 55.92 1gjm n HIS 355 Cb 0.06 -0.57 -0.03 0.00 -0.00 0.00 0.00 29.99 29.45 1gjm n HIS 355 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1gjm n LEU 356 N -0.69 2.41 -4.66 2.41 4.77 -1.12 -4.73 117.00 115.38 1gjm n LEU 356 Ca 0.36 1.14 -0.55 0.00 -0.03 0.00 0.00 56.01 56.93 1gjm n LEU 356 Cb 1.19 -1.33 -0.07 0.00 -2.33 0.00 0.00 43.42 40.88 1gjm n LEU 356 CO 0.31 -0.82 1.44 0.00 -1.33 0.00 0.00 177.39 176.99 1gjm h LEU 358 N 8.40 0.00 -2.21 0.00 3.38 -1.90 -3.03 115.31 119.94 1gjm h LEU 358 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1gjm h LEU 358 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1gjm h LEU 358 CO 0.97 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.11 1gjm n GLY 359 N 0.80 1.80 0.23 0.83 0.00 -1.26 -4.41 105.19 103.18 1gjm n GLY 359 Ca 0.04 -0.60 0.06 0.00 0.00 0.00 0.00 46.02 45.52 1gjm n GLY 359 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1gjm h GLN 360 N 3.03 0.00 -0.04 1.61 3.07 -1.87 -0.24 115.11 120.66 1gjm h GLN 360 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.50 1gjm h GLN 360 Cb 0.96 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.54 1gjm h GLN 360 CO 0.11 0.18 -0.93 0.45 0.09 0.00 0.00 178.83 178.72 1gjm h HIS 361 N 0.00 0.92 -0.37 0.06 3.86 -1.86 -1.61 115.15 116.15 1gjm h HIS 361 Ca -0.00 -0.47 -0.14 0.00 -1.16 0.00 0.00 60.37 58.60 1gjm h HIS 361 Cb 0.34 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 1gjm h HIS 361 CO 0.00 1.30 -0.33 1.25 0.86 0.00 0.00 177.93 181.00 1gjm h LEU 362 N 0.39 0.87 0.51 2.43 5.85 -1.70 -1.80 115.31 121.86 1gjm h LEU 362 Ca -0.09 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 1gjm h LEU 362 Cb 1.57 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.37 1gjm h LEU 362 CO 0.18 1.12 -0.24 0.00 -0.34 0.00 0.00 178.44 179.16 1gjm h ALA 363 N 0.93 -0.68 -0.71 1.25 0.00 -1.01 -1.56 119.26 117.47 1gjm h ALA 363 Ca 0.07 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.88 1gjm h ALA 363 Cb 0.89 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 1gjm h ALA 363 CO 0.08 -0.83 0.38 0.00 0.00 0.00 0.00 179.25 178.89 1gjm h ARG 364 N -0.80 0.66 -0.79 0.00 3.08 -1.29 -0.83 114.38 114.40 1gjm h ARG 364 Ca -0.07 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 59.95 1gjm h ARG 364 Cb 0.58 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 1gjm h ARG 364 CO 0.11 0.44 0.52 -0.09 -1.07 0.00 0.00 179.97 179.88 1gjm h ARG 365 N 0.68 1.05 -0.39 0.04 9.65 -1.23 -0.20 114.38 123.97 1gjm h ARG 365 Ca 0.33 -0.07 -0.11 0.00 -1.10 0.00 0.00 59.98 59.03 1gjm h ARG 365 Cb 0.27 -0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 28.60 1gjm h ARG 365 CO -0.22 0.70 -0.21 0.93 2.80 0.00 0.00 179.97 183.96 1gjm h GLU 366 N 1.08 0.77 0.02 0.20 5.08 -0.41 -1.55 114.58 119.77 1gjm h GLU 366 Ca 0.29 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1gjm h GLU 366 Cb -0.12 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.09 1gjm h GLU 366 CO -0.06 0.92 -0.01 0.82 -1.00 0.00 0.00 179.01 179.67 1gjm h ILE 367 N 0.68 1.30 -0.53 3.13 2.04 -0.81 -1.94 117.51 121.38 1gjm h ILE 367 Ca 0.10 -1.00 0.04 0.00 1.00 0.00 0.00 64.86 64.99 1gjm h ILE 367 Cb 0.72 1.97 -0.04 0.00 -0.74 0.00 0.00 36.82 38.72 1gjm h ILE 367 CO 0.06 0.26 0.29 0.40 0.00 0.00 0.00 178.15 179.15 1gjm h ILE 368 N -0.46 1.00 -0.50 -0.67 2.04 -1.03 -0.40 117.51 117.49 1gjm h ILE 368 Ca -0.00 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 1gjm h ILE 368 Cb 0.44 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1gjm h ILE 368 CO 0.00 0.10 0.21 0.58 0.00 0.00 0.00 178.15 179.05 1gjm h VAL 369 N 0.56 1.21 -0.14 1.67 2.07 -1.32 -1.66 116.25 118.63 1gjm h VAL 369 Ca 0.22 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 67.16 1gjm h VAL 369 Cb 0.09 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1gjm h VAL 369 CO -0.13 0.24 -0.06 0.74 0.02 0.00 0.00 177.57 178.37 1gjm h THR 370 N 0.66 0.80 -0.25 2.57 2.02 -0.57 0.02 112.91 118.16 1gjm h THR 370 Ca 0.17 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.37 1gjm h THR 370 Cb 0.17 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1gjm h THR 370 CO -0.02 0.00 0.11 -0.07 0.37 0.00 0.00 175.52 175.92 1gjm h LEU 371 N -0.04 0.16 0.26 2.58 3.38 -0.94 0.85 115.31 121.56 1gjm h LEU 371 Ca 0.08 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1gjm h LEU 371 Cb 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1gjm h LEU 371 CO -0.17 0.13 -0.13 0.50 0.09 0.00 0.00 178.44 178.86 1gjm h LYS 372 N 0.24 -0.34 -0.73 1.13 3.64 -1.07 -1.77 116.57 117.68 1gjm h LYS 372 Ca 0.10 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1gjm h LYS 372 Cb 0.04 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1gjm h LYS 372 CO -0.08 -0.08 0.32 0.93 -2.27 0.00 0.00 179.45 178.27 1gjm h GLU 373 N -0.57 1.06 0.25 1.90 4.39 -0.96 -2.08 114.58 118.56 1gjm h GLU 373 Ca -0.04 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 1gjm h GLU 373 Cb 0.42 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1gjm h GLU 373 CO 0.06 0.84 -0.12 2.35 -1.16 0.00 0.00 179.01 180.98 1gjm h TRP 374 N 1.04 -0.31 0.00 4.33 2.91 -0.83 -2.99 115.95 120.11 1gjm h TRP 374 Ca 0.25 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.26 1gjm h TRP 374 Cb 0.16 0.10 0.00 0.00 -0.51 0.00 0.00 29.16 28.91 1gjm h TRP 374 CO 0.01 0.07 0.00 -0.07 -1.03 0.00 0.00 178.44 177.42 1gjm h LEU 375 N -0.86 0.00 0.00 0.65 3.38 -1.34 0.34 115.31 117.49 1gjm h LEU 375 Ca -0.03 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 1gjm h LEU 375 Cb 0.51 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1gjm h LEU 375 CO 0.06 0.00 -0.83 0.74 0.09 0.00 0.00 178.44 178.50 1gjm h THR 376 N 0.00 1.07 0.00 0.22 2.02 -1.41 -3.27 112.91 111.53 1gjm h THR 376 Ca 0.00 -2.57 -0.27 0.00 0.77 0.00 0.00 66.41 64.33 1gjm h THR 376 Cb 0.22 2.50 -0.05 0.00 -1.74 0.00 0.00 68.15 69.08 1gjm h THR 376 CO 0.00 0.61 -2.03 0.54 0.37 0.00 0.00 175.52 175.01 1gjm n ARG 377 N -3.21 0.45 -3.75 6.66 1.74 -0.70 -4.49 116.66 113.36 1gjm n ARG 377 Ca -0.01 0.11 -0.28 0.00 -0.77 0.00 0.00 57.85 56.90 1gjm n ARG 377 Cb 0.83 -1.35 -0.11 0.00 -1.02 0.00 0.00 32.46 30.81 1gjm n ARG 377 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1gjm n ILE 378 N -3.10 0.99 0.03 0.55 5.41 0.11 -0.74 119.36 122.63 1gjm n ILE 378 Ca -0.32 -4.55 -0.04 0.00 1.00 0.00 0.00 62.75 58.84 1gjm n ILE 378 Cb 0.83 -2.06 0.17 0.00 -0.71 0.00 0.00 39.64 37.88 1gjm n ILE 378 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1gjm h PRO 379 N 5.35 0.42 -5.02 0.38 0.13 -1.71 -3.38 132.00 128.18 1gjm h PRO 379 Ca 0.18 -0.19 -0.67 0.00 -0.87 0.00 0.00 66.00 64.45 1gjm h PRO 379 Cb 0.78 -0.01 -0.35 0.00 0.13 0.00 0.00 31.00 31.56 1gjm h PRO 379 CO 0.64 0.73 -0.83 0.34 -0.23 0.00 0.00 178.00 178.65 1gjm s ASP 380 N -6.85 3.49 0.07 1.44 -1.08 -1.26 -4.85 116.67 107.63 1gjm s ASP 380 Ca -0.06 -0.75 -0.16 0.00 -0.52 0.00 0.00 52.55 51.05 1gjm s ASP 380 Cb 0.13 -1.52 0.03 0.00 -1.46 0.00 0.00 42.92 40.10 1gjm s ASP 380 CO 0.80 -0.04 0.38 0.72 0.52 0.00 0.00 175.17 177.55 1gjm s PHE 381 N 1.28 -0.20 0.25 -5.34 -0.71 -1.26 -4.57 117.98 107.42 1gjm s PHE 381 Ca 0.03 0.06 0.02 0.00 -1.04 0.00 0.00 56.93 56.00 1gjm s PHE 381 Cb -0.14 0.19 -0.04 0.00 -1.21 0.00 0.00 43.02 41.82 1gjm s PHE 381 CO -0.11 -0.59 0.15 -1.12 -1.34 0.00 0.00 175.22 172.22 1gjm s SER 382 N -2.25 0.87 0.24 1.98 0.01 -0.12 -4.64 113.70 109.78 1gjm s SER 382 Ca -0.03 -1.48 -0.26 0.00 1.31 0.00 0.00 55.95 55.49 1gjm s SER 382 Cb 0.00 0.37 -0.09 0.00 0.21 0.00 0.00 66.02 66.52 1gjm s SER 382 CO -0.05 -0.87 0.86 -0.63 0.41 0.00 0.00 173.24 172.96 1gjm s ILE 383 N -3.86 4.26 0.09 1.44 1.01 -1.26 -0.82 121.20 122.06 1gjm s ILE 383 Ca 0.38 1.80 -0.35 0.00 0.00 0.00 0.00 60.65 62.48 1gjm s ILE 383 Cb 0.06 -4.13 -0.15 0.00 0.01 0.00 0.00 42.46 38.26 1gjm s ILE 383 CO 0.16 0.37 1.52 0.00 0.00 0.00 0.00 174.94 176.99 1gjm n ALA 384 N 1.16 0.36 -1.64 9.38 0.00 0.15 -4.74 120.51 125.19 1gjm n ALA 384 Ca -0.02 0.46 -0.48 0.00 0.00 0.00 0.00 53.44 53.40 1gjm n ALA 384 Cb 0.49 -2.25 -0.05 0.00 0.00 0.00 0.00 19.45 17.64 1gjm n ALA 384 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1gjm n PRO 385 N 3.44 1.79 -0.61 0.00 -0.04 -1.26 -1.45 135.00 136.88 1gjm n PRO 385 Ca 0.18 0.64 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 1gjm n PRO 385 Cb 0.24 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 1gjm n PRO 385 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gjm n GLY 386 N 2.96 1.30 3.74 0.55 0.00 -1.26 -5.02 105.19 107.47 1gjm n GLY 386 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1gjm n GLY 386 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gjm s ALA 387 N -3.42 3.36 -0.44 4.61 0.00 -0.52 -5.01 121.76 120.34 1gjm s ALA 387 Ca 0.00 0.79 -0.08 0.00 0.00 0.00 0.00 51.96 52.67 1gjm s ALA 387 Cb 0.00 -3.32 0.10 0.00 0.00 0.00 0.00 23.12 19.90 1gjm s ALA 387 CO 0.00 -0.13 0.28 -0.65 0.00 0.00 0.00 175.76 175.26 1gjm s GLN 388 N -0.70 2.44 -0.06 0.00 -0.21 -1.26 -4.99 119.66 114.89 1gjm s GLN 388 Ca 0.47 -1.64 -0.30 0.00 0.02 0.00 0.00 55.36 53.91 1gjm s GLN 388 Cb -0.29 -3.79 -0.04 0.00 1.00 0.00 0.00 33.01 29.89 1gjm s GLN 388 CO 0.35 -1.07 1.29 0.42 -2.12 0.00 0.00 175.29 174.17 1gjm s ILE 389 N 1.34 4.06 -0.10 1.08 -1.09 -1.26 -5.02 121.20 120.22 1gjm s ILE 389 Ca 0.05 1.39 -0.01 0.00 -2.23 0.00 0.00 60.65 59.84 1gjm s ILE 389 Cb -0.24 -3.89 -0.03 0.00 -1.58 0.00 0.00 42.46 36.72 1gjm s ILE 389 CO -0.00 -0.03 -0.04 -1.10 -1.23 0.00 0.00 174.94 172.53 1gjm s GLN 390 N 2.59 3.08 0.23 2.79 -1.52 -1.26 -5.01 119.66 120.55 1gjm s GLN 390 Ca 0.59 -0.51 0.08 0.00 -1.95 0.00 0.00 55.36 53.57 1gjm s GLN 390 Cb -0.27 -2.73 -0.04 0.00 -0.22 0.00 0.00 33.01 29.75 1gjm s GLN 390 CO 0.22 0.55 0.08 -1.01 -0.25 0.00 0.00 175.29 174.88 1gjm s HIS 391 N -0.47 2.93 -0.03 0.91 3.76 -1.26 -0.71 115.29 120.41 1gjm s HIS 391 Ca 0.07 -0.14 0.04 0.00 -0.15 0.00 0.00 55.06 54.88 1gjm s HIS 391 Cb -0.12 -1.35 -0.00 0.00 1.11 0.00 0.00 32.58 32.22 1gjm s HIS 391 CO 0.02 0.55 -0.13 0.15 -0.85 0.00 0.00 174.74 174.48 1gjm s LYS 392 N -3.50 1.35 0.06 1.40 -0.14 -0.20 -4.85 119.74 113.86 1gjm s LYS 392 Ca 0.31 -0.46 0.02 0.00 -1.36 0.00 0.00 55.97 54.47 1gjm s LYS 392 Cb -0.08 -1.21 -0.04 0.00 -1.68 0.00 0.00 37.83 34.82 1gjm s LYS 392 CO 0.22 0.19 0.12 0.45 -0.76 0.00 0.00 175.35 175.57 1gjm s SER 393 N 0.07 5.82 0.00 2.83 0.15 -1.26 -0.64 113.70 120.67 1gjm s SER 393 Ca -0.02 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.73 1gjm s SER 393 Cb -0.10 -1.66 0.00 0.00 -1.71 0.00 0.00 66.02 62.55 1gjm s SER 393 CO 0.01 0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.25 1gjm n GLY 394 N 0.50 -0.66 0.21 9.45 0.00 -1.02 -4.43 105.19 109.23 1gjm n GLY 394 Ca -0.08 -0.48 0.02 0.00 0.00 0.00 0.00 46.02 45.48 1gjm n GLY 394 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1gjm h ILE 395 N 0.00 1.23 -3.21 -0.61 2.04 -1.46 -3.37 117.51 112.13 1gjm h ILE 395 Ca 0.00 -1.10 -0.49 0.00 1.00 0.00 0.00 64.86 64.27 1gjm h ILE 395 Cb 0.00 1.51 -0.40 0.00 -0.74 0.00 0.00 36.82 37.19 1gjm h ILE 395 CO 0.00 0.32 -0.76 -0.69 0.00 0.00 0.00 178.15 177.02 1gjm s VAL 396 N -4.38 0.32 0.72 1.67 1.01 -1.25 -0.73 120.40 117.76 1gjm s VAL 396 Ca -0.04 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 1gjm s VAL 396 Cb 0.15 -0.84 0.02 0.00 0.00 0.00 0.00 36.38 35.71 1gjm s VAL 396 CO 0.73 -0.19 1.08 -0.44 0.00 0.00 0.00 175.10 176.28 1gjm s SER 397 N 1.96 5.21 0.14 3.32 0.01 -0.28 -4.61 113.70 119.44 1gjm s SER 397 Ca 0.00 1.36 -0.04 0.00 1.31 0.00 0.00 55.95 58.59 1gjm s SER 397 Cb -0.16 -2.20 0.01 0.00 0.21 0.00 0.00 66.02 63.89 1gjm s SER 397 CO -0.08 -1.52 0.25 0.61 0.41 0.00 0.00 173.24 172.91 1gjm n GLY 398 N -2.38 2.05 3.33 3.44 0.00 0.19 -4.78 105.19 107.03 1gjm n GLY 398 Ca 0.07 -1.24 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 1gjm n GLY 398 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gjm s VAL 399 N -2.64 2.88 0.05 1.61 1.01 -1.26 -1.03 120.40 121.02 1gjm s VAL 399 Ca 0.08 -0.72 -0.25 0.00 0.00 0.00 0.00 61.98 61.09 1gjm s VAL 399 Cb -0.01 -2.20 -0.17 0.00 0.00 0.00 0.00 36.38 34.00 1gjm s VAL 399 CO 0.06 0.52 1.53 -0.61 0.00 0.00 0.00 175.10 176.60 1gjm h GLN 400 N 6.84 -0.14 -2.23 2.72 4.15 -1.25 -3.47 115.11 121.73 1gjm h GLN 400 Ca -0.26 0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.11 1gjm h GLN 400 Cb 1.21 0.03 -0.18 0.00 0.21 0.00 0.00 27.48 28.76 1gjm h GLN 400 CO 0.55 0.06 0.17 0.00 -1.93 0.00 0.00 178.83 177.68 1gjm s ALA 401 N -5.48 -1.69 -0.39 3.38 0.00 -1.26 -4.98 121.76 111.34 1gjm s ALA 401 Ca -0.14 1.12 0.03 0.00 0.00 0.00 0.00 51.96 52.96 1gjm s ALA 401 Cb 0.04 0.17 0.16 0.00 0.00 0.00 0.00 23.12 23.49 1gjm s ALA 401 CO 0.64 -0.44 0.31 -1.17 0.00 0.00 0.00 175.76 175.11 1gjm s LEU 402 N -1.49 1.21 -0.21 0.00 2.96 -1.26 -4.60 118.68 115.30 1gjm s LEU 402 Ca -0.09 -2.79 -0.29 0.00 -0.22 0.00 0.00 54.13 50.74 1gjm s LEU 402 Cb -0.00 -0.37 -0.01 0.00 0.50 0.00 0.00 46.19 46.30 1gjm s LEU 402 CO 0.05 -0.21 1.29 -2.16 -1.32 0.00 0.00 176.35 174.01 1gjm s PRO 403 N 0.37 4.12 0.17 0.98 0.04 -1.26 -1.26 135.00 138.15 1gjm s PRO 403 Ca 0.29 1.54 0.08 0.00 0.04 0.00 0.00 61.00 62.94 1gjm s PRO 403 Cb -0.04 -3.81 -0.04 0.00 0.04 0.00 0.00 34.50 30.65 1gjm s PRO 403 CO -0.14 -0.86 -0.05 -0.51 0.04 0.00 0.00 177.00 175.48 1gjm s LEU 404 N 3.84 3.14 0.03 -3.56 1.43 0.37 -0.67 118.68 123.26 1gjm s LEU 404 Ca 0.56 -0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 53.18 1gjm s LEU 404 Cb -0.20 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 1gjm s LEU 404 CO 0.18 0.10 -0.03 0.68 0.23 0.00 0.00 176.35 177.51 1gjm s VAL 405 N -1.67 0.18 0.02 -1.59 -7.23 -0.00 -1.39 120.40 108.71 1gjm s VAL 405 Ca 0.26 -1.25 -0.28 0.00 -1.81 0.00 0.00 61.98 58.89 1gjm s VAL 405 Cb -0.09 -0.75 0.10 0.00 0.56 0.00 0.00 36.38 36.20 1gjm s VAL 405 CO 0.17 -0.68 0.86 -1.66 -0.31 0.00 0.00 175.10 173.48 1gjm s TRP 406 N -2.36 -0.36 -0.33 2.82 -2.14 -0.20 -0.95 118.94 115.43 1gjm s TRP 406 Ca -0.07 0.21 -0.18 0.00 2.66 0.00 0.00 56.10 58.72 1gjm s TRP 406 Cb -0.03 0.54 -0.01 0.00 -3.10 0.00 0.00 33.47 30.87 1gjm s TRP 406 CO -0.04 -0.59 0.53 0.34 -2.66 0.00 0.00 176.95 174.53 1gjm s ASP 407 N -2.53 6.36 0.52 -2.66 2.15 -1.26 -4.36 116.67 114.89 1gjm s ASP 407 Ca 0.05 0.15 0.31 0.00 0.43 0.00 0.00 52.55 53.48 1gjm s ASP 407 Cb -0.01 -2.28 1.44 0.00 -0.30 0.00 0.00 42.92 41.77 1gjm s ASP 407 CO -0.09 -0.44 1.85 -0.65 -0.17 0.00 0.00 175.17 175.67 1gjm h PRO 408 N 8.34 0.06 0.00 4.34 0.11 -1.88 -0.73 132.00 142.25 1gjm h PRO 408 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1gjm h PRO 408 Cb 1.13 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1gjm h PRO 408 CO 0.76 0.04 0.00 0.00 -0.21 0.00 0.00 178.00 178.60 1gjm h ALA 409 N 1.52 1.00 -0.01 -0.75 0.00 -1.95 -1.76 119.26 117.32 1gjm h ALA 409 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1gjm h ALA 409 Cb 1.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1gjm h ALA 409 CO -0.04 0.00 -0.25 0.25 0.00 0.00 0.00 179.25 179.21 1gjm n THR 410 N -3.07 0.00 -2.92 0.00 -2.24 -0.28 -4.95 114.28 100.82 1gjm n THR 410 Ca -0.02 -0.20 -0.30 0.00 -2.27 0.00 0.00 64.05 61.27 1gjm n THR 410 Cb 0.15 0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 69.01 1gjm n THR 410 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1gjm s THR 411 N -2.39 4.83 -0.22 4.28 -4.23 -0.66 -4.66 115.64 112.59 1gjm s THR 411 Ca 0.25 0.52 -0.04 0.00 -1.18 0.00 0.00 61.69 61.25 1gjm s THR 411 Cb 0.19 -3.74 -0.01 0.00 1.34 0.00 0.00 72.50 70.29 1gjm s THR 411 CO 0.49 -0.50 -0.05 -0.54 -0.54 0.00 0.00 174.62 173.48 1gjm s LYS 412 N -3.83 3.36 0.08 3.99 -0.14 0.09 -5.03 119.74 118.25 1gjm s LYS 412 Ca 0.50 -0.64 -0.25 0.00 -1.36 0.00 0.00 55.97 54.22 1gjm s LYS 412 Cb -0.10 -2.98 -0.06 0.00 -1.68 0.00 0.00 37.83 33.01 1gjm s LYS 412 CO 0.32 -0.19 0.79 0.00 -0.76 0.00 0.00 175.35 175.50 1gjm s ALA 413 N 1.45 3.38 0.00 5.17 0.00 -1.26 -4.35 121.76 126.14 1gjm s ALA 413 Ca 0.06 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.34 1gjm s ALA 413 Cb -0.14 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 19.97 1gjm s ALA 413 CO -0.04 0.11 0.00 0.28 0.00 0.00 0.00 175.76 176.11