#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jgd n THR 85 N 0.00 1.63 -0.33 -3.53 -1.04 -1.26 -2.50 114.28 107.24 2jgd n THR 85 Ca 0.00 -0.77 -0.06 0.00 -2.04 0.00 0.00 64.05 61.17 2jgd n THR 85 Cb 0.00 -1.13 -0.02 0.00 -1.82 0.00 0.00 70.33 67.36 2jgd n THR 85 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2jgd h ASN 86 N 0.01 -1.66 -0.13 8.00 4.21 -2.04 -1.57 115.58 122.41 2jgd h ASN 86 Ca -0.33 0.29 -0.08 0.00 1.21 0.00 0.00 56.30 57.40 2jgd h ASN 86 Cb 2.03 0.79 -0.02 0.00 -1.12 0.00 0.00 38.32 40.00 2jgd h ASN 86 CO 0.08 -0.29 -0.15 0.58 -1.29 0.00 0.00 177.43 176.36 2jgd h VAL 87 N -0.08 1.24 -0.31 2.81 2.07 -1.95 -2.62 116.25 117.40 2jgd h VAL 87 Ca 0.24 -1.06 -0.16 0.00 0.82 0.00 0.00 66.70 66.53 2jgd h VAL 87 Cb 0.53 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 2jgd h VAL 87 CO -0.87 0.35 -0.44 0.11 0.02 0.00 0.00 177.57 176.74 2jgd h LYS 88 N 0.46 0.79 -1.01 1.57 1.57 -1.24 -2.52 116.57 116.19 2jgd h LYS 88 Ca 0.08 -0.44 0.05 0.00 -1.87 0.00 0.00 60.65 58.48 2jgd h LYS 88 Cb 0.53 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.80 2jgd h LYS 88 CO 0.03 1.07 0.65 0.37 -0.57 0.00 0.00 179.45 181.00 2jgd h GLN 89 N 0.64 1.18 0.00 3.15 5.75 -0.92 0.10 115.11 125.02 2jgd h GLN 89 Ca 0.04 -0.07 -0.07 0.00 -0.15 0.00 0.00 58.65 58.40 2jgd h GLN 89 Cb 1.00 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 29.28 2jgd h GLN 89 CO 0.10 0.78 -0.32 0.28 -2.65 0.00 0.00 178.83 177.02 2jgd h VAL 90 N 1.22 1.20 0.00 2.39 2.07 -1.32 -2.71 116.25 119.11 2jgd h VAL 90 Ca 0.42 -1.10 -0.20 0.00 0.82 0.00 0.00 66.70 66.63 2jgd h VAL 90 Cb 0.10 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2jgd h VAL 90 CO -0.15 0.31 -0.89 0.11 0.02 0.00 0.00 177.57 176.97 2jgd h LYS 91 N 0.00 0.22 -0.35 1.57 1.79 -0.43 -2.73 116.57 116.63 2jgd h LYS 91 Ca -0.00 -0.24 -0.07 0.00 -2.18 0.00 0.00 60.65 58.16 2jgd h LYS 91 Cb 0.57 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.28 2jgd h LYS 91 CO 0.04 0.97 -0.04 0.28 -1.08 0.00 0.00 179.45 179.62 2jgd h VAL 92 N 0.12 1.27 -0.68 0.50 2.07 -0.87 -0.98 116.25 117.69 2jgd h VAL 92 Ca -0.05 -1.07 0.13 0.00 0.82 0.00 0.00 66.70 66.53 2jgd h VAL 92 Cb 1.52 1.25 -0.09 0.00 -1.52 0.00 0.00 31.29 32.45 2jgd h VAL 92 CO 0.14 0.35 0.21 -0.07 0.02 0.00 0.00 177.57 178.22 2jgd h LEU 93 N 0.46 0.14 -1.69 2.57 -0.00 -1.52 0.27 115.31 115.53 2jgd h LEU 93 Ca 0.10 0.11 -0.02 0.00 -0.00 0.00 0.00 57.88 58.06 2jgd h LEU 93 Cb 0.53 0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.30 2jgd h LEU 93 CO 0.03 0.06 -0.05 1.56 -0.00 0.00 0.00 178.44 180.04 2jgd h GLN 94 N 0.35 0.14 0.05 1.13 4.20 -1.14 -1.13 115.11 118.70 2jgd h GLN 94 Ca 0.36 -0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.93 2jgd h GLN 94 Cb 0.54 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.31 2jgd h GLN 94 CO -0.40 0.20 -0.51 1.25 -0.67 0.00 0.00 178.83 178.70 2jgd h LEU 95 N 0.14 0.37 -0.30 1.46 5.85 0.48 -2.34 115.31 120.97 2jgd h LEU 95 Ca 0.03 -0.86 0.07 0.00 0.84 0.00 0.00 57.88 57.96 2jgd h LEU 95 Cb 0.18 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 2jgd h LEU 95 CO 0.01 1.18 -0.29 0.40 -0.34 0.00 0.00 178.44 179.40 2jgd h ILE 96 N -0.40 0.30 -0.93 4.05 2.04 -0.51 -2.01 117.51 120.04 2jgd h ILE 96 Ca -0.08 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.00 2jgd h ILE 96 Cb 1.30 0.30 -0.12 0.00 -0.74 0.00 0.00 36.82 37.56 2jgd h ILE 96 CO 0.10 0.00 0.48 -1.13 0.00 0.00 0.00 178.15 177.60 2jgd h ASN 97 N -0.27 0.50 -0.22 1.72 -0.00 -1.21 -2.32 115.58 113.78 2jgd h ASN 97 Ca 0.15 0.14 -0.16 0.00 -0.00 0.00 0.00 56.30 56.42 2jgd h ASN 97 Cb 0.51 0.07 -0.00 0.00 -0.00 0.00 0.00 38.32 38.90 2jgd h ASN 97 CO -0.45 0.08 -0.47 0.00 -0.00 0.00 0.00 177.43 176.59 2jgd h ALA 98 N 1.70 0.61 -0.48 1.57 0.00 -0.80 -1.56 119.26 120.31 2jgd h ALA 98 Ca 0.58 -0.48 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2jgd h ALA 98 Cb 1.06 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2jgd h ALA 98 CO -0.48 0.68 0.29 1.88 0.00 0.00 0.00 179.25 181.62 2jgd h TYR 99 N 0.63 0.55 0.04 0.00 -1.99 -1.11 0.47 116.97 115.55 2jgd h TYR 99 Ca 0.03 0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.80 2jgd h TYR 99 Cb 1.04 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 39.56 2jgd h TYR 99 CO 0.06 0.32 -0.18 0.00 -0.00 0.00 0.00 178.16 178.36 2jgd h ARG 100 N 0.58 -0.31 -0.26 4.88 3.08 -1.06 0.16 114.38 121.46 2jgd h ARG 100 Ca 0.19 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.23 2jgd h ARG 100 Cb -0.00 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2jgd h ARG 100 CO -0.08 -0.21 0.04 0.74 -1.07 0.00 0.00 179.97 179.40 2jgd h PHE 101 N -0.32 0.47 0.00 3.04 -1.00 -1.17 -3.41 116.94 114.55 2jgd h PHE 101 Ca 0.04 -0.07 0.00 0.00 2.81 0.00 0.00 57.97 60.76 2jgd h PHE 101 Cb 0.37 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 39.80 2jgd h PHE 101 CO -0.21 0.55 0.00 0.54 -1.61 0.00 0.00 178.31 177.58 2jgd n ARG 102 N -4.67 1.36 -0.55 1.51 1.74 0.14 -4.65 116.66 111.54 2jgd n ARG 102 Ca -0.03 -0.06 0.43 0.00 -0.77 0.00 0.00 57.85 57.42 2jgd n ARG 102 Cb 0.21 -0.34 0.67 0.00 -1.02 0.00 0.00 32.46 31.98 2jgd n ARG 102 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jgd n GLY 103 N 0.21 -0.82 0.20 -0.13 0.00 0.57 -0.40 105.19 104.82 2jgd n GLY 103 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.64 2jgd n GLY 103 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2jgd h HIS 104 N 0.00 0.18 0.00 1.61 2.07 -1.75 -2.40 115.15 114.85 2jgd h HIS 104 Ca 0.80 -0.04 0.00 0.00 -2.85 0.00 0.00 60.37 58.28 2jgd h HIS 104 Cb 3.03 -0.04 0.00 0.00 2.57 0.00 0.00 27.41 32.97 2jgd h HIS 104 CO -0.00 0.48 0.00 1.04 -3.07 0.00 0.00 177.93 176.38 2jgd n GLN 105 N -4.10 0.01 -0.48 5.12 6.02 0.47 -1.42 117.38 122.99 2jgd n GLN 105 Ca -0.01 0.19 0.05 0.00 -0.01 0.00 0.00 57.00 57.21 2jgd n GLN 105 Cb 0.41 -1.50 0.21 0.00 1.02 0.00 0.00 30.24 30.38 2jgd n GLN 105 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2jgd n HIS 106 N -1.50 0.63 -3.15 1.08 8.25 -0.91 -4.62 115.22 115.00 2jgd n HIS 106 Ca 0.04 -1.21 -0.35 0.00 -0.26 0.00 0.00 57.72 55.95 2jgd n HIS 106 Cb 0.21 -0.32 -0.06 0.00 1.12 0.00 0.00 29.99 30.94 2jgd n HIS 106 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jgd s ALA 107 N -3.02 3.41 -0.94 -1.41 0.00 -0.51 -4.84 121.76 114.44 2jgd s ALA 107 Ca 0.40 0.08 -0.17 0.00 0.00 0.00 0.00 51.96 52.26 2jgd s ALA 107 Cb 0.35 -2.76 -0.10 0.00 0.00 0.00 0.00 23.12 20.61 2jgd s ALA 107 CO 0.03 0.35 2.04 -1.71 0.00 0.00 0.00 175.76 176.47 2jgd n ASN 108 N 0.33 3.36 -0.09 0.00 5.15 -0.99 -4.61 115.26 118.41 2jgd n ASN 108 Ca -0.01 -2.64 -0.17 0.00 -0.60 0.00 0.00 54.58 51.17 2jgd n ASN 108 Cb 0.52 -1.22 -0.11 0.00 -0.53 0.00 0.00 39.78 38.44 2jgd n ASN 108 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2jgd h LEU 109 N 11.99 0.00 -9.30 1.20 3.38 -1.86 -3.39 115.31 117.32 2jgd h LEU 109 Ca 0.48 -0.61 -0.54 0.00 0.09 0.00 0.00 57.88 57.29 2jgd h LEU 109 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2jgd h LEU 109 CO 1.86 1.21 1.13 -0.62 0.09 0.00 0.00 178.44 182.10 2jgd s ASP 110 N -6.47 6.60 0.54 -0.43 -1.08 -1.26 -4.04 116.67 110.53 2jgd s ASP 110 Ca -0.23 2.38 0.35 0.00 -0.52 0.00 0.00 52.55 54.54 2jgd s ASP 110 Cb 0.02 -2.53 1.64 0.00 -1.46 0.00 0.00 42.92 40.58 2jgd s ASP 110 CO 0.56 -0.96 2.05 -0.65 0.52 0.00 0.00 175.17 176.69 2jgd h PRO 111 N 9.79 0.00 0.00 4.34 0.11 -1.90 -2.52 132.00 141.83 2jgd h PRO 111 Ca -0.43 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.54 2jgd h PRO 111 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2jgd h PRO 111 CO 0.95 0.00 -1.19 -0.07 -0.21 0.00 0.00 178.00 177.48 2jgd h LEU 112 N 0.00 0.00 1.65 2.35 3.38 -1.94 -3.49 115.31 117.26 2jgd h LEU 112 Ca 0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 2jgd h LEU 112 Cb 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2jgd h LEU 112 CO 0.00 0.55 -0.31 0.61 0.09 0.00 0.00 178.44 179.38 2jgd n GLY 113 N 1.35 0.01 0.47 0.83 0.00 -0.95 -4.89 105.19 102.01 2jgd n GLY 113 Ca -0.07 -0.37 0.07 0.00 0.00 0.00 0.00 46.02 45.65 2jgd n GLY 113 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jgd n LEU 114 N -1.74 1.89 -4.77 0.99 4.77 -1.26 -4.98 117.00 111.90 2jgd n LEU 114 Ca -0.15 -0.90 -0.41 0.00 -0.03 0.00 0.00 56.01 54.53 2jgd n LEU 114 Cb 0.59 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.68 2jgd n LEU 114 CO 0.17 0.35 1.09 0.26 -1.33 0.00 0.00 177.39 177.93 2jgd s TRP 115 N -1.42 2.65 -0.53 -1.77 0.51 -1.26 -4.97 118.94 112.15 2jgd s TRP 115 Ca 0.15 1.24 -0.10 0.00 -2.12 0.00 0.00 56.10 55.27 2jgd s TRP 115 Cb 0.12 -3.92 0.13 0.00 -0.81 0.00 0.00 33.47 28.99 2jgd s TRP 115 CO 0.25 -2.74 0.42 -0.65 -0.51 0.00 0.00 176.95 173.73 2jgd s GLN 116 N -2.13 2.69 -0.34 4.98 -0.21 -1.26 -5.05 119.66 118.34 2jgd s GLN 116 Ca 0.54 -1.89 -0.29 0.00 0.02 0.00 0.00 55.36 53.74 2jgd s GLN 116 Cb -0.44 -4.03 0.02 0.00 1.00 0.00 0.00 33.01 29.55 2jgd s GLN 116 CO 0.59 -1.23 1.13 -0.65 -2.12 0.00 0.00 175.29 173.01 2jgd s GLN 117 N 1.17 3.99 -1.17 2.91 -0.21 -1.26 -5.18 119.66 119.91 2jgd s GLN 117 Ca 0.07 1.03 -0.11 0.00 0.02 0.00 0.00 55.36 56.38 2jgd s GLN 117 Cb -0.25 -3.79 0.22 0.00 1.00 0.00 0.00 33.01 30.19 2jgd s GLN 117 CO -0.01 -1.01 1.35 -0.25 -2.12 0.00 0.00 175.29 173.25 2jgd n ASP 118 N 7.15 5.40 0.00 5.90 8.00 -1.26 -5.08 116.55 136.67 2jgd n ASP 118 Ca 0.13 -3.04 0.00 0.00 0.71 0.00 0.00 54.79 52.59 2jgd n ASP 118 Cb 0.47 -1.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.10 2jgd n ASP 118 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2jgd n ASP 122 N 4.12 0.00 0.00 -2.24 8.00 -1.26 -5.11 116.55 120.06 2jgd n ASP 122 Ca 0.32 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.82 2jgd n ASP 122 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 2jgd n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jgd n LEU 123 N 0.00 0.00 -0.01 0.64 -0.00 -1.26 -3.72 117.00 112.65 2jgd n LEU 123 Ca 0.00 0.10 0.10 0.00 -0.00 0.00 0.00 56.01 56.21 2jgd n LEU 123 Cb 0.00 -0.10 -0.14 0.00 -0.00 0.00 0.00 43.42 43.17 2jgd n LEU 123 CO 0.00 -0.10 -0.51 0.47 -0.00 0.00 0.00 177.39 177.25 2jgd n ASP 124 N -1.06 0.53 -4.76 1.45 8.00 -1.26 -4.82 116.55 114.63 2jgd n ASP 124 Ca 0.00 -0.32 -0.37 0.00 0.71 0.00 0.00 54.79 54.81 2jgd n ASP 124 Cb 0.01 1.62 -0.07 0.00 -0.02 0.00 0.00 41.12 42.67 2jgd n ASP 124 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2jgd s PRO 125 N -3.24 4.14 0.20 -0.24 0.04 -1.24 -4.99 135.00 129.66 2jgd s PRO 125 Ca -0.02 0.12 -0.03 0.00 0.04 0.00 0.00 61.00 61.10 2jgd s PRO 125 Cb 0.14 -3.38 0.39 0.00 0.04 0.00 0.00 34.50 31.69 2jgd s PRO 125 CO 0.84 0.35 1.05 0.43 0.04 0.00 0.00 177.00 179.70 2jgd n SER 126 N 3.21 -0.17 0.04 6.66 7.64 -1.26 -1.83 113.62 127.90 2jgd n SER 126 Ca -0.13 1.14 0.10 0.00 1.01 0.00 0.00 58.87 60.99 2jgd n SER 126 Cb 0.52 -0.37 0.54 0.00 -1.01 0.00 0.00 64.21 63.89 2jgd n SER 126 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 2jgd h PHE 127 N 0.00 0.29 0.00 1.43 0.04 -1.93 1.40 116.94 118.16 2jgd h PHE 127 Ca 0.36 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 61.10 2jgd h PHE 127 Cb 0.63 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.68 2jgd h PHE 127 CO -0.44 0.16 -0.14 1.25 -0.60 0.00 0.00 178.31 178.53 2jgd h HIS 128 N 0.29 0.00 -0.39 -0.55 2.76 -1.65 0.39 115.15 115.99 2jgd h HIS 128 Ca 0.17 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 2jgd h HIS 128 Cb 0.30 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.26 2jgd h HIS 128 CO -0.00 0.14 0.00 -0.25 -1.30 0.00 0.00 177.93 176.52 2jgd n ASP 129 N -3.53 4.18 -2.71 3.26 8.00 0.45 -5.02 116.55 121.18 2jgd n ASP 129 Ca -0.01 -2.73 -0.04 0.00 0.71 0.00 0.00 54.79 52.72 2jgd n ASP 129 Cb 0.29 -0.52 0.01 0.00 -0.02 0.00 0.00 41.12 40.88 2jgd n ASP 129 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2jgd n LEU 130 N 0.14 -6.69 0.00 0.64 4.77 0.53 -4.88 117.00 111.51 2jgd n LEU 130 Ca 0.21 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 2jgd n LEU 130 Cb 0.86 -3.01 0.00 0.00 -2.33 0.00 0.00 43.42 38.94 2jgd n LEU 130 CO 0.18 -1.62 0.00 0.35 -1.33 0.00 0.00 177.39 174.98 2jgd n THR 131 N -0.82 0.00 0.00 -5.08 -2.24 -1.24 -4.96 114.28 99.93 2jgd n THR 131 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2jgd n THR 131 Cb 0.43 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 2jgd n THR 131 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jgd n GLU 132 N 0.00 0.00 0.00 -0.78 4.71 -1.26 -4.61 120.64 118.70 2jgd n GLU 132 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2jgd n GLU 132 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 2jgd n GLU 132 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2jgd n ASP 134 N -1.64 0.00 0.00 1.62 8.00 -1.26 -5.02 116.55 118.25 2jgd n ASP 134 Ca 0.00 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.60 2jgd n ASP 134 Cb 0.00 0.00 0.51 0.00 -0.02 0.00 0.00 41.12 41.61 2jgd n ASP 134 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2jgd n PHE 135 N -1.37 0.00 0.83 1.24 3.72 -1.26 -0.94 117.46 119.67 2jgd n PHE 135 Ca 0.00 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.48 2jgd n PHE 135 Cb 0.00 -0.35 -0.09 0.00 -0.94 0.00 0.00 39.48 38.10 2jgd n PHE 135 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2jgd n GLN 136 N -1.35 1.21 -1.67 -1.08 3.00 -1.26 -1.16 117.38 115.07 2jgd n GLN 136 Ca 0.09 -0.08 -0.47 0.00 -0.01 0.00 0.00 57.00 56.53 2jgd n GLN 136 Cb 0.19 -1.33 -0.04 0.00 0.00 0.00 0.00 30.24 29.06 2jgd n GLN 136 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2jgd n GLU 137 N -1.30 2.07 -3.27 -1.09 4.71 -0.12 -4.68 120.64 116.97 2jgd n GLU 137 Ca 0.04 0.75 -0.38 0.00 -0.01 0.00 0.00 57.16 57.55 2jgd n GLU 137 Cb 0.28 -2.52 -0.06 0.00 -1.01 0.00 0.00 31.44 28.14 2jgd n GLU 137 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 2jgd s THR 138 N 1.29 5.01 0.12 2.62 2.01 -1.26 -1.88 115.64 123.54 2jgd s THR 138 Ca 0.81 1.12 0.06 0.00 0.31 0.00 0.00 61.69 63.99 2jgd s THR 138 Cb -0.70 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 67.89 2jgd s THR 138 CO 0.40 0.41 -0.15 -0.36 -0.69 0.00 0.00 174.62 174.23 2jgd s PHE 139 N -0.05 1.50 0.33 4.92 0.40 -0.78 -4.95 117.98 119.36 2jgd s PHE 139 Ca 0.29 -0.52 -0.28 0.00 -0.60 0.00 0.00 56.93 55.81 2jgd s PHE 139 Cb -0.17 -0.78 -0.10 0.00 0.51 0.00 0.00 43.02 42.48 2jgd s PHE 139 CO 0.15 0.18 1.24 1.21 0.70 0.00 0.00 175.22 178.70 2jgd s ASN 140 N -2.39 6.83 -0.22 1.36 2.47 -1.26 -0.89 114.94 120.83 2jgd s ASN 140 Ca 0.09 2.55 0.11 0.00 0.42 0.00 0.00 52.86 56.03 2jgd s ASN 140 Cb -0.06 -2.64 0.43 0.00 -1.45 0.00 0.00 41.25 37.53 2jgd s ASN 140 CO 0.04 -0.48 1.21 1.33 -3.72 0.00 0.00 177.10 175.48 2jgd n VAL 141 N 0.76 2.21 -0.23 -5.21 0.24 -1.20 -4.83 118.33 110.06 2jgd n VAL 141 Ca 0.00 -3.42 0.00 0.00 -2.04 0.00 0.00 64.34 58.89 2jgd n VAL 141 Cb 0.43 -0.41 0.00 0.00 -1.47 0.00 0.00 33.84 32.39 2jgd n VAL 141 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jgd n GLY 142 N -0.95 2.94 1.30 7.63 0.00 -1.26 -1.65 105.19 113.19 2jgd n GLY 142 Ca 0.25 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.25 2jgd n GLY 142 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jgd n SER 143 N 2.45 3.75 -4.55 1.61 3.41 -1.26 -4.88 113.62 114.15 2jgd n SER 143 Ca 0.00 -2.52 -0.42 0.00 -0.26 0.00 0.00 58.87 55.67 2jgd n SER 143 Cb 0.00 -0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 63.33 2jgd n SER 143 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2jgd s PHE 144 N -2.01 2.55 -0.21 7.33 2.19 -0.66 -4.97 117.98 122.20 2jgd s PHE 144 Ca 0.33 0.12 -0.14 0.00 0.33 0.00 0.00 56.93 57.57 2jgd s PHE 144 Cb 0.24 -4.45 -0.15 0.00 -1.31 0.00 0.00 43.02 37.35 2jgd s PHE 144 CO 0.10 -1.69 1.23 0.00 1.83 0.00 0.00 175.22 176.69 2jgd n ALA 145 N 8.47 0.38 0.01 11.12 0.00 -1.26 -5.00 120.51 134.22 2jgd n ALA 145 Ca 0.05 -1.56 -0.03 0.00 0.00 0.00 0.00 53.44 51.90 2jgd n ALA 145 Cb 0.48 -1.82 -0.01 0.00 0.00 0.00 0.00 19.45 18.11 2jgd n ALA 145 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jgd n GLU 149 N 5.88 0.10 -5.15 0.00 4.71 -1.26 -4.23 120.64 120.69 2jgd n GLU 149 Ca 0.21 0.04 -0.29 0.00 -0.01 0.00 0.00 57.16 57.11 2jgd n GLU 149 Cb 0.39 -0.68 -0.16 0.00 -1.01 0.00 0.00 31.44 29.98 2jgd n GLU 149 CO 0.00 0.00 0.00 -0.08 0.09 0.00 0.00 177.13 177.14 2jgd s THR 150 N -2.16 1.84 -0.06 2.62 -1.32 -1.26 -3.25 115.64 112.05 2jgd s THR 150 Ca -0.06 -0.98 -0.04 0.00 -1.21 0.00 0.00 61.69 59.41 2jgd s THR 150 Cb 0.01 -1.55 0.03 0.00 -1.51 0.00 0.00 72.50 69.49 2jgd s THR 150 CO 0.08 0.52 0.15 -0.04 -2.21 0.00 0.00 174.62 173.12 2jgd s MET 151 N -0.36 0.12 0.46 7.08 1.00 -0.07 -4.95 119.30 122.59 2jgd s MET 151 Ca 0.04 0.31 -0.21 0.00 0.00 0.00 0.00 55.69 55.83 2jgd s MET 151 Cb -0.11 -0.08 -0.12 0.00 0.00 0.00 0.00 34.83 34.52 2jgd s MET 151 CO 0.01 -0.11 0.51 1.63 0.00 0.00 0.00 175.02 177.06 2jgd n LYS 152 N 3.77 0.55 0.42 2.03 4.01 -1.26 -1.86 118.16 125.82 2jgd n LYS 152 Ca -0.21 0.20 -0.17 0.00 -0.51 0.00 0.00 58.31 57.62 2jgd n LYS 152 Cb 0.54 -1.54 -0.08 0.00 -0.51 0.00 0.00 35.03 33.44 2jgd n LYS 152 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 2jgd h LEU 153 N 0.63 -0.93 -2.26 -0.35 5.85 -1.11 -2.58 115.31 114.57 2jgd h LEU 153 Ca -0.42 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.36 2jgd h LEU 153 Cb 1.40 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.66 2jgd h LEU 153 CO 0.50 -0.57 0.24 1.23 -0.34 0.00 0.00 178.44 179.50 2jgd h GLY 154 N -1.27 0.00 1.01 3.75 0.00 -1.44 0.51 103.07 105.63 2jgd h GLY 154 Ca -0.11 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.04 2jgd h GLY 154 CO 0.18 0.00 -0.59 0.83 0.00 0.00 0.00 176.54 176.96 2jgd h GLU 155 N 0.00 0.66 -0.29 4.80 3.07 -1.74 -2.33 114.58 118.75 2jgd h GLU 155 Ca 0.06 -0.51 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 2jgd h GLU 155 Cb 0.54 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 2jgd h GLU 155 CO -0.00 1.13 0.18 1.25 -1.40 0.00 0.00 179.01 180.17 2jgd h LEU 156 N 0.34 0.34 -1.09 1.33 5.85 0.36 -0.15 115.31 122.29 2jgd h LEU 156 Ca -0.03 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2jgd h LEU 156 Cb 1.22 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 2jgd h LEU 156 CO 0.12 0.27 0.55 0.25 -0.34 0.00 0.00 178.44 179.30 2jgd h LEU 157 N 0.37 1.03 -0.01 2.25 5.85 -1.22 0.26 115.31 123.84 2jgd h LEU 157 Ca 0.10 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.79 2jgd h LEU 157 Cb -0.01 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 2jgd h LEU 157 CO -0.02 0.77 -0.19 -0.33 -0.34 0.00 0.00 178.44 178.32 2jgd h GLU 158 N 1.20 -0.22 -0.88 1.25 3.07 -0.93 -1.66 114.58 116.40 2jgd h GLU 158 Ca 0.32 0.02 0.14 0.00 -0.50 0.00 0.00 59.36 59.33 2jgd h GLU 158 Cb -0.09 0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 27.80 2jgd h GLU 158 CO -0.06 -0.15 0.57 0.00 -1.40 0.00 0.00 179.01 177.96 2jgd h ALA 159 N -1.09 1.85 -0.39 3.43 0.00 0.35 0.21 119.26 123.62 2jgd h ALA 159 Ca 0.01 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2jgd h ALA 159 Cb 0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2jgd h ALA 159 CO -0.14 -0.08 -0.20 -0.07 0.00 0.00 0.00 179.25 178.76 2jgd h LEU 160 N 0.67 0.75 -0.11 0.00 3.38 -0.42 -1.03 115.31 118.55 2jgd h LEU 160 Ca 0.44 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 2jgd h LEU 160 Cb 0.72 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2jgd h LEU 160 CO -0.20 0.94 -0.24 0.11 0.09 0.00 0.00 178.44 179.15 2jgd h LYS 161 N 0.66 0.36 -0.62 1.13 1.57 0.37 -1.05 116.57 118.98 2jgd h LYS 161 Ca 0.10 -0.24 0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2jgd h LYS 161 Cb 0.69 0.03 -0.10 0.00 0.08 0.00 0.00 32.23 32.93 2jgd h LYS 161 CO 0.05 0.84 -0.54 1.96 -0.57 0.00 0.00 179.45 181.19 2jgd h GLN 162 N -0.06 -0.24 -0.36 3.15 1.08 -1.30 -1.73 115.11 115.66 2jgd h GLN 162 Ca 0.00 0.02 -0.14 0.00 -1.45 0.00 0.00 58.65 57.08 2jgd h GLN 162 Cb 0.83 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.31 2jgd h GLN 162 CO 0.05 -0.16 -0.33 1.15 -0.95 0.00 0.00 178.83 178.59 2jgd h THR 163 N -0.25 1.28 -0.02 -0.54 2.02 -0.89 -3.13 112.91 111.38 2jgd h THR 163 Ca 0.12 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.80 2jgd h THR 163 Cb 0.54 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 2jgd h THR 163 CO -0.72 0.50 0.00 -1.22 0.37 0.00 0.00 175.52 174.45 2jgd n TYR 164 N -4.14 0.02 -1.24 3.16 4.02 -0.42 -4.68 117.16 113.88 2jgd n TYR 164 Ca -0.03 -0.19 0.00 0.00 -0.01 0.00 0.00 57.90 57.68 2jgd n TYR 164 Cb 0.51 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.81 2jgd n TYR 164 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2jgd n GLY 166 N 0.00 0.64 0.00 0.00 0.00 -0.97 -2.97 105.19 101.89 2jgd n GLY 166 Ca 0.00 -1.35 0.12 0.00 0.00 0.00 0.00 46.02 44.79 2jgd n GLY 166 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jgd n PRO 167 N 0.00 0.29 -4.97 1.61 -0.04 -1.26 -2.34 135.00 128.29 2jgd n PRO 167 Ca 0.00 0.06 -0.32 0.00 -0.04 0.00 0.00 63.50 63.19 2jgd n PRO 167 Cb 0.00 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 31.81 2jgd n PRO 167 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2jgd s ILE 168 N -2.64 2.65 -0.39 0.52 1.01 -1.26 -2.29 121.20 118.80 2jgd s ILE 168 Ca 0.21 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 60.05 2jgd s ILE 168 Cb 0.16 -2.07 0.11 0.00 0.01 0.00 0.00 42.46 40.67 2jgd s ILE 168 CO 0.39 0.54 0.15 -0.83 0.00 0.00 0.00 174.94 175.19 2jgd s GLY 169 N 0.22 1.99 -0.34 6.18 0.00 -0.07 -4.05 107.32 111.25 2jgd s GLY 169 Ca -0.11 -2.57 -0.21 0.00 0.00 0.00 0.00 44.72 41.83 2jgd s GLY 169 CO 0.06 0.99 0.65 0.00 0.00 0.00 0.00 173.10 174.81 2jgd s ALA 170 N 0.98 3.48 -0.30 3.20 0.00 -1.26 -1.96 121.76 125.91 2jgd s ALA 170 Ca 0.10 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.33 2jgd s ALA 170 Cb -0.21 -3.16 0.09 0.00 0.00 0.00 0.00 23.12 19.83 2jgd s ALA 170 CO -0.06 -1.25 0.02 -2.00 0.00 0.00 0.00 175.76 172.48 2jgd s GLU 171 N 2.71 1.39 0.00 0.00 2.12 -0.98 -4.63 118.70 119.31 2jgd s GLU 171 Ca 0.25 -1.40 0.00 0.00 0.36 0.00 0.00 54.97 54.19 2jgd s GLU 171 Cb -0.15 -2.72 0.00 0.00 0.26 0.00 0.00 34.13 31.53 2jgd s GLU 171 CO 0.14 -0.83 0.00 2.48 -0.54 0.00 0.00 175.26 176.51 2jgd n TYR 172 N 4.52 0.00 0.53 5.30 4.11 -1.26 -3.04 117.16 127.32 2jgd n TYR 172 Ca -0.03 0.00 0.11 0.00 -0.00 0.00 0.00 57.90 57.97 2jgd n TYR 172 Cb 0.43 0.06 0.15 0.00 -0.00 0.00 0.00 39.34 39.97 2jgd n TYR 172 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.86 175.53 2jgd n MET 173 N 0.00 2.17 0.09 -3.48 2.81 -1.26 -3.67 117.12 113.77 2jgd n MET 173 Ca 0.00 -1.98 -0.06 0.00 -1.81 0.00 0.00 57.70 53.85 2jgd n MET 173 Cb 0.24 -1.43 0.07 0.00 -0.71 0.00 0.00 33.22 31.39 2jgd n MET 173 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 2jgd h HIS 174 N 4.05 0.25 -1.90 2.03 2.07 -1.96 -3.45 115.15 116.23 2jgd h HIS 174 Ca 0.00 -0.11 -0.65 0.00 -2.85 0.00 0.00 60.37 56.76 2jgd h HIS 174 Cb 0.90 -0.04 0.03 0.00 2.57 0.00 0.00 27.41 30.87 2jgd h HIS 174 CO 0.13 0.84 0.93 -0.89 -3.07 0.00 0.00 177.93 175.86 2jgd n ILE 175 N -3.77 0.35 0.15 6.12 5.41 -1.24 -4.91 119.36 121.47 2jgd n ILE 175 Ca -0.03 -0.06 0.02 0.00 1.00 0.00 0.00 62.75 63.68 2jgd n ILE 175 Cb 0.70 -1.53 0.16 0.00 -0.71 0.00 0.00 39.64 38.25 2jgd n ILE 175 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2jgd h THR 176 N 4.86 1.10 -2.45 1.39 1.35 -1.91 -3.44 112.91 113.80 2jgd h THR 176 Ca -0.47 -2.10 -0.57 0.00 -0.55 0.00 0.00 66.41 62.72 2jgd h THR 176 Cb 1.29 2.23 -0.01 0.00 -1.73 0.00 0.00 68.15 69.93 2jgd h THR 176 CO 0.92 0.53 1.29 -0.55 -0.25 0.00 0.00 175.52 177.47 2jgd s SER 177 N -6.55 5.98 0.20 5.36 0.15 -1.26 -4.87 113.70 112.71 2jgd s SER 177 Ca 0.01 1.78 -0.10 0.00 0.70 0.00 0.00 55.95 58.33 2jgd s SER 177 Cb 0.10 -2.52 0.26 0.00 -1.71 0.00 0.00 66.02 62.15 2jgd s SER 177 CO 0.73 -1.56 1.72 0.74 1.20 0.00 0.00 173.24 176.08 2jgd h THR 178 N 6.55 0.71 0.00 6.45 2.02 -2.01 -2.62 112.91 124.01 2jgd h THR 178 Ca -0.38 -0.11 -0.07 0.00 0.77 0.00 0.00 66.41 66.62 2jgd h THR 178 Cb 1.20 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 2jgd h THR 178 CO 0.99 0.06 -0.35 -0.33 0.37 0.00 0.00 175.52 176.25 2jgd h GLU 179 N 0.31 0.00 0.25 6.66 4.39 -1.98 -1.28 114.58 122.93 2jgd h GLU 179 Ca 0.29 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.98 2jgd h GLU 179 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2jgd h GLU 179 CO -0.34 0.35 -0.12 0.93 -1.16 0.00 0.00 179.01 178.67 2jgd h GLU 180 N 0.00 -0.33 -0.41 2.33 5.08 -1.88 0.19 114.58 119.56 2jgd h GLU 180 Ca -0.00 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2jgd h GLU 180 Cb 0.93 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 30.17 2jgd h GLU 180 CO 0.05 0.03 -0.49 0.87 -1.00 0.00 0.00 179.01 178.47 2jgd h LYS 181 N -0.87 -0.35 -0.73 2.33 1.57 -1.41 0.18 116.57 117.29 2jgd h LYS 181 Ca -0.03 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.87 2jgd h LYS 181 Cb 0.51 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.83 2jgd h LYS 181 CO 0.06 -0.23 0.37 -0.09 -0.57 0.00 0.00 179.45 178.98 2jgd h ARG 182 N -0.36 0.60 -0.30 3.15 2.43 -1.27 0.38 114.38 119.00 2jgd h ARG 182 Ca 0.11 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.31 2jgd h ARG 182 Cb 0.59 -0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 29.93 2jgd h ARG 182 CO -0.59 0.40 -0.24 2.35 -1.51 0.00 0.00 179.97 180.38 2jgd h TRP 183 N 0.62 -0.62 0.79 2.20 7.01 0.21 0.26 115.95 126.41 2jgd h TRP 183 Ca 0.36 0.04 -0.04 0.00 2.11 0.00 0.00 58.89 61.36 2jgd h TRP 183 Cb 0.39 0.32 0.01 0.00 -2.10 0.00 0.00 29.16 27.77 2jgd h TRP 183 CO -0.10 -0.31 -0.39 0.82 -2.79 0.00 0.00 178.44 175.66 2jgd h ILE 184 N -0.22 0.20 -0.89 2.65 2.04 0.12 -2.72 117.51 118.70 2jgd h ILE 184 Ca 0.16 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.21 2jgd h ILE 184 Cb 0.46 0.20 -0.17 0.00 -0.74 0.00 0.00 36.82 36.57 2jgd h ILE 184 CO -0.42 0.00 -0.15 1.56 0.00 0.00 0.00 178.15 179.14 2jgd h GLN 185 N -1.08 0.02 -0.86 2.37 4.20 -0.21 0.74 115.11 120.29 2jgd h GLN 185 Ca -0.11 -0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.76 2jgd h GLN 185 Cb 0.83 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.54 2jgd h GLN 185 CO 0.17 0.01 0.56 0.37 -0.67 0.00 0.00 178.83 179.27 2jgd h GLN 186 N 0.02 0.54 0.01 1.46 5.75 -0.68 0.10 115.11 122.31 2jgd h GLN 186 Ca 0.46 -0.03 -0.24 0.00 -0.15 0.00 0.00 58.65 58.69 2jgd h GLN 186 Cb 0.77 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.16 2jgd h GLN 186 CO -0.89 0.36 -1.21 0.00 -2.65 0.00 0.00 178.83 174.45 2jgd h ARG 187 N 0.56 0.01 0.00 1.69 2.47 0.78 -3.36 114.38 116.53 2jgd h ARG 187 Ca 0.44 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.14 2jgd h ARG 187 Cb 0.86 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.19 2jgd h ARG 187 CO -0.18 0.87 -0.96 0.44 0.56 0.00 0.00 179.97 180.70 2jgd n ILE 188 N -3.28 0.00 0.78 2.04 -5.35 -0.76 -4.60 119.36 108.20 2jgd n ILE 188 Ca -0.05 -0.25 0.11 0.00 -0.27 0.00 0.00 62.75 62.29 2jgd n ILE 188 Cb 0.97 0.63 -0.05 0.00 -1.74 0.00 0.00 39.64 39.46 2jgd n ILE 188 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2jgd n GLU 189 N -1.54 0.14 0.00 6.28 1.02 0.32 -4.86 120.64 122.01 2jgd n GLU 189 Ca -0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2jgd n GLU 189 Cb 0.20 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 2jgd n GLU 189 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2jgd n SER 190 N -1.69 0.00 -4.75 1.62 3.41 -1.26 -4.52 113.62 106.43 2jgd n SER 190 Ca 0.03 0.40 -0.41 0.00 -0.26 0.00 0.00 58.87 58.62 2jgd n SER 190 Cb 0.38 -0.30 -0.02 0.00 -0.26 0.00 0.00 64.21 64.01 2jgd n SER 190 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2jgd s ARG 192 N -0.90 4.26 0.73 4.33 0.52 -1.26 -5.12 118.95 121.51 2jgd s ARG 192 Ca 0.00 2.32 -0.13 0.00 -0.52 0.00 0.00 55.73 57.41 2jgd s ARG 192 Cb 0.00 -3.10 0.04 0.00 0.52 0.00 0.00 34.95 32.41 2jgd s ARG 192 CO 0.00 -0.42 1.11 0.00 0.02 0.00 0.00 175.30 176.00 2jgd s ALA 193 N -0.10 2.29 0.18 2.13 0.00 -1.26 -5.05 121.76 119.96 2jgd s ALA 193 Ca 0.59 0.44 -0.30 0.00 0.00 0.00 0.00 51.96 52.69 2jgd s ALA 193 Cb -0.42 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.31 2jgd s ALA 193 CO 0.45 -1.62 1.05 0.95 0.00 0.00 0.00 175.76 176.58 2jgd s THR 194 N -2.59 4.00 0.88 0.00 -4.23 -1.26 -5.06 115.64 107.37 2jgd s THR 194 Ca 0.65 1.77 -0.10 0.00 -1.18 0.00 0.00 61.69 62.83 2jgd s THR 194 Cb -0.20 -4.13 0.12 0.00 1.34 0.00 0.00 72.50 69.63 2jgd s THR 194 CO 0.49 0.33 1.12 -0.36 -0.54 0.00 0.00 174.62 175.66 2jgd s PHE 195 N -0.41 1.98 0.46 3.99 0.40 -1.26 -5.06 117.98 118.08 2jgd s PHE 195 Ca 0.47 1.65 0.07 0.00 -0.60 0.00 0.00 56.93 58.52 2jgd s PHE 195 Cb -0.28 -3.22 0.00 0.00 0.51 0.00 0.00 43.02 40.04 2jgd s PHE 195 CO 0.34 -2.49 0.42 0.54 0.70 0.00 0.00 175.22 174.73 2jgd s ASN 196 N -2.96 4.95 0.38 1.36 4.22 -1.26 -4.88 114.94 116.76 2jgd s ASN 196 Ca 0.65 -0.87 0.19 0.00 -2.14 0.00 0.00 52.86 50.69 2jgd s ASN 196 Cb -0.21 -0.28 1.15 0.00 1.28 0.00 0.00 41.25 43.20 2jgd s ASN 196 CO 0.58 -0.81 1.70 0.77 -2.04 0.00 0.00 177.10 177.30 2jgd h SER 197 N 0.90 0.44 1.35 3.54 4.64 -1.97 -1.21 113.55 121.25 2jgd h SER 197 Ca -0.39 0.13 -0.11 0.00 -0.47 0.00 0.00 61.79 60.95 2jgd h SER 197 Cb 1.28 0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.42 2jgd h SER 197 CO 0.56 -0.03 -0.67 -0.33 -0.87 0.00 0.00 176.83 175.49 2jgd h GLU 198 N 0.32 0.00 0.17 4.77 4.39 -1.97 -2.44 114.58 119.82 2jgd h GLU 198 Ca 0.69 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 60.15 2jgd h GLU 198 Cb 1.77 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 30.45 2jgd h GLU 198 CO -0.42 0.41 -1.05 0.93 -1.16 0.00 0.00 179.01 177.71 2jgd h GLU 199 N 0.00 0.36 0.41 2.33 5.08 -1.64 -3.01 114.58 118.12 2jgd h GLU 199 Ca -0.03 -0.62 -0.01 0.00 -1.00 0.00 0.00 59.36 57.69 2jgd h GLU 199 Cb 1.38 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.85 2jgd h GLU 199 CO 0.05 1.30 -0.33 0.87 -1.00 0.00 0.00 179.01 179.90 2jgd h LYS 200 N -0.22 -0.71 -1.01 2.33 1.57 -1.42 -1.16 116.57 115.95 2jgd h LYS 200 Ca -0.19 0.05 0.27 0.00 -1.87 0.00 0.00 60.65 58.91 2jgd h LYS 200 Cb 1.80 0.16 -0.07 0.00 0.08 0.00 0.00 32.23 34.21 2jgd h LYS 200 CO 0.18 -0.48 0.68 0.87 -0.57 0.00 0.00 179.45 180.14 2jgd h LYS 201 N -0.74 0.23 0.05 3.15 1.57 -1.56 -0.10 116.57 119.18 2jgd h LYS 201 Ca -0.04 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 2jgd h LYS 201 Cb 0.64 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.91 2jgd h LYS 201 CO -0.01 0.15 -0.32 -0.09 -0.57 0.00 0.00 179.45 178.61 2jgd h ARG 202 N 0.24 0.12 -0.82 3.15 2.43 -1.26 0.62 114.38 118.86 2jgd h ARG 202 Ca 0.53 -0.20 0.14 0.00 -0.81 0.00 0.00 59.98 59.63 2jgd h ARG 202 Cb 1.62 0.08 -0.14 0.00 -0.42 0.00 0.00 29.97 31.10 2jgd h ARG 202 CO -0.15 1.09 -0.28 1.19 -1.51 0.00 0.00 179.97 180.31 2jgd n PHE 203 N -4.42 0.13 -0.14 2.20 3.72 -0.50 -0.54 117.46 117.92 2jgd n PHE 203 Ca -0.11 1.01 -0.01 0.00 -0.05 0.00 0.00 57.45 58.28 2jgd n PHE 203 Cb 0.61 -0.88 0.23 0.00 -0.94 0.00 0.00 39.48 38.50 2jgd n PHE 203 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2jgd h LEU 204 N 0.00 0.76 -0.57 4.37 5.85 -0.22 -1.15 115.31 124.36 2jgd h LEU 204 Ca 0.33 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.84 2jgd h LEU 204 Cb 0.54 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2jgd h LEU 204 CO -0.83 0.69 -0.15 -1.28 -0.34 0.00 0.00 178.44 176.52 2jgd h SER 205 N 0.83 1.00 0.64 1.25 0.87 0.15 -1.04 113.55 117.25 2jgd h SER 205 Ca 0.20 -0.35 -0.18 0.00 -1.23 0.00 0.00 61.79 60.23 2jgd h SER 205 Cb 0.16 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 2jgd h SER 205 CO -0.02 1.13 -0.81 1.05 -0.53 0.00 0.00 176.83 177.65 2jgd h GLU 206 N 0.87 0.12 -0.35 2.24 4.11 -0.60 -1.93 114.58 119.03 2jgd h GLU 206 Ca 0.13 -0.12 -0.07 0.00 0.07 0.00 0.00 59.36 59.37 2jgd h GLU 206 Cb 0.71 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 2jgd h GLU 206 CO 0.05 0.86 -0.06 -0.07 0.07 0.00 0.00 179.01 179.87 2jgd h LEU 207 N 0.07 0.56 -0.67 3.06 3.38 -1.05 -0.52 115.31 120.14 2jgd h LEU 207 Ca -0.03 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 2jgd h LEU 207 Cb 1.42 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 2jgd h LEU 207 CO 0.12 0.66 -0.06 0.74 0.09 0.00 0.00 178.44 179.99 2jgd h THR 208 N 0.55 1.26 -0.18 0.22 2.02 -0.95 -0.97 112.91 114.86 2jgd h THR 208 Ca 0.11 -1.19 -0.08 0.00 0.77 0.00 0.00 66.41 66.02 2jgd h THR 208 Cb 0.43 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2jgd h THR 208 CO 0.02 0.42 -0.21 0.00 0.37 0.00 0.00 175.52 176.13 2jgd h ALA 209 N 1.04 0.26 -0.43 6.16 0.00 -1.08 0.78 119.26 126.00 2jgd h ALA 209 Ca 0.15 -0.36 0.07 0.00 0.00 0.00 0.00 54.91 54.77 2jgd h ALA 209 Cb 0.60 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 2jgd h ALA 209 CO 0.04 0.20 -0.42 0.00 0.00 0.00 0.00 179.25 179.07 2jgd h ALA 210 N 0.62 -0.40 -0.14 0.00 0.00 -0.81 -1.25 119.26 117.27 2jgd h ALA 210 Ca 0.02 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2jgd h ALA 210 Cb 0.76 0.89 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 2jgd h ALA 210 CO 0.05 -0.85 -0.17 1.49 0.00 0.00 0.00 179.25 179.77 2jgd h GLU 211 N -0.31 0.37 -0.77 0.00 4.81 -1.13 -2.96 114.58 114.59 2jgd h GLU 211 Ca 0.15 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 2jgd h GLU 211 Cb 0.58 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 2jgd h GLU 211 CO -0.59 0.77 0.33 0.78 -0.73 0.00 0.00 179.01 179.57 2jgd h GLY 212 N -0.01 1.20 0.95 1.92 0.00 -0.57 0.48 103.07 107.04 2jgd h GLY 212 Ca 0.02 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 2jgd h GLY 212 CO 0.04 0.59 0.19 -2.00 0.00 0.00 0.00 176.54 175.35 2jgd h LEU 213 N 1.10 0.49 -1.03 3.11 5.85 -1.28 0.36 115.31 123.90 2jgd h LEU 213 Ca 0.26 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 2jgd h LEU 213 Cb 0.17 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 2jgd h LEU 213 CO -0.03 0.47 0.22 -0.08 -0.34 0.00 0.00 178.44 178.69 2jgd h GLU 214 N 0.47 0.91 -0.07 1.25 4.57 -1.11 -1.68 114.58 118.93 2jgd h GLU 214 Ca 0.13 -0.16 -0.21 0.00 -1.18 0.00 0.00 59.36 57.94 2jgd h GLU 214 Cb 0.11 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 2jgd h GLU 214 CO -0.02 0.77 -0.82 0.00 -1.18 0.00 0.00 179.01 177.75 2jgd h ARG 215 N 0.89 0.53 -0.63 1.92 3.08 -0.82 -2.34 114.38 117.00 2jgd h ARG 215 Ca 0.21 -0.47 -0.07 0.00 0.07 0.00 0.00 59.98 59.72 2jgd h ARG 215 Cb 0.21 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 2jgd h ARG 215 CO -0.01 1.10 0.13 -0.92 -1.07 0.00 0.00 179.97 179.20 2jgd h TYR 216 N 0.34 1.08 -0.14 3.04 3.20 -0.63 -1.77 116.97 122.10 2jgd h TYR 216 Ca -0.06 -0.14 -0.19 0.00 3.14 0.00 0.00 58.73 61.48 2jgd h TYR 216 Cb 1.43 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.40 2jgd h TYR 216 CO 0.06 0.91 -0.70 -0.07 -1.64 0.00 0.00 178.16 176.72 2jgd h LEU 217 N 0.94 0.70 -0.27 2.82 3.38 -1.37 -1.09 115.31 120.42 2jgd h LEU 217 Ca 0.19 -0.44 0.06 0.00 0.09 0.00 0.00 57.88 57.78 2jgd h LEU 217 Cb 0.40 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 2jgd h LEU 217 CO 0.01 1.20 -0.12 1.23 0.09 0.00 0.00 178.44 180.84 2jgd h GLY 218 N 0.95 0.11 1.02 0.83 0.00 -1.24 0.11 103.07 104.85 2jgd h GLY 218 Ca -0.03 0.16 -0.12 0.00 0.00 0.00 0.00 47.33 47.34 2jgd h GLY 218 CO 0.13 -0.15 -0.22 0.00 0.00 0.00 0.00 176.54 176.31 2jgd h ALA 219 N 1.15 0.53 0.15 3.60 0.00 -1.05 -3.21 119.26 120.43 2jgd h ALA 219 Ca 0.14 -0.38 -0.29 0.00 0.00 0.00 0.00 54.91 54.38 2jgd h ALA 219 Cb 0.30 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.97 2jgd h ALA 219 CO -0.33 0.51 -1.36 0.87 0.00 0.00 0.00 179.25 178.94 2jgd h LYS 220 N 0.61 0.31 -2.65 0.00 1.79 -1.12 -3.41 116.57 112.10 2jgd h LYS 220 Ca 0.08 -0.53 -0.60 0.00 -2.18 0.00 0.00 60.65 57.42 2jgd h LYS 220 Cb 0.78 0.20 -0.40 0.00 -1.58 0.00 0.00 32.23 31.23 2jgd h LYS 220 CO 0.06 1.23 -0.81 -0.06 -1.08 0.00 0.00 179.45 178.79 2jgd s PHE 221 N -2.64 2.09 0.00 -1.35 0.40 0.38 -4.99 117.98 111.87 2jgd s PHE 221 Ca -0.06 -2.74 0.00 0.00 -0.60 0.00 0.00 56.93 53.53 2jgd s PHE 221 Cb 0.06 -1.64 0.00 0.00 0.51 0.00 0.00 43.02 41.95 2jgd s PHE 221 CO 0.89 -0.71 0.04 -2.30 0.70 0.00 0.00 175.22 173.83 2jgd n PRO 222 N 2.49 0.02 -3.19 0.24 -0.02 -1.21 -4.59 135.00 128.74 2jgd n PRO 222 Ca 0.26 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.52 2jgd n PRO 222 Cb 0.43 -1.49 -0.06 0.00 -0.02 0.00 0.00 33.50 32.35 2jgd n PRO 222 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jgd n GLY 223 N 1.82 1.96 0.00 -1.23 0.00 -1.26 -5.13 105.19 101.34 2jgd n GLY 223 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.92 2jgd n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jgd n ARG 226 N 2.18 0.00 -0.91 1.61 5.12 -1.26 -5.07 116.66 118.32 2jgd n ARG 226 Ca 0.23 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.97 2jgd n ARG 226 Cb 0.52 0.00 0.06 0.00 -1.16 0.00 0.00 32.46 31.88 2jgd n ARG 226 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2jgd n PHE 227 N 0.00 1.81 -1.88 -1.55 0.99 -1.26 -5.07 117.46 110.50 2jgd n PHE 227 Ca 0.00 -1.97 -0.36 0.00 -0.00 0.00 0.00 57.45 55.12 2jgd n PHE 227 Cb 0.00 -0.96 0.05 0.00 -1.00 0.00 0.00 39.48 37.57 2jgd n PHE 227 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2jgd s SER 228 N -0.19 4.95 0.08 4.37 0.15 -1.26 -1.81 113.70 119.98 2jgd s SER 228 Ca 0.36 2.43 0.27 0.00 0.70 0.00 0.00 55.95 59.71 2jgd s SER 228 Cb 0.29 -2.60 0.98 0.00 -1.71 0.00 0.00 66.02 62.97 2jgd s SER 228 CO 0.01 -1.76 1.80 -0.11 1.20 0.00 0.00 173.24 174.38 2jgd n LEU 229 N -1.80 0.35 -4.70 3.45 7.94 -1.26 -4.41 117.00 116.57 2jgd n LEU 229 Ca 0.14 0.46 -0.40 0.00 -1.11 0.00 0.00 56.01 55.10 2jgd n LEU 229 Cb 0.49 -0.40 0.02 0.00 0.53 0.00 0.00 43.42 44.06 2jgd n LEU 229 CO 0.45 -0.05 0.87 -0.62 -1.11 0.00 0.00 177.39 176.93 2jgd n GLU 230 N -1.79 1.81 -3.25 1.96 1.02 -1.26 0.10 120.64 119.23 2jgd n GLU 230 Ca 0.06 0.65 -0.45 0.00 -0.02 0.00 0.00 57.16 57.40 2jgd n GLU 230 Cb 0.38 -2.40 -0.00 0.00 -0.02 0.00 0.00 31.44 29.40 2jgd n GLU 230 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2jgd s GLY 231 N -0.65 3.01 -0.72 0.62 0.00 -1.18 -1.65 107.32 106.75 2jgd s GLY 231 Ca 0.64 -3.71 -0.02 0.00 0.00 0.00 0.00 44.72 41.63 2jgd s GLY 231 CO 0.56 1.49 2.07 0.61 0.00 0.00 0.00 173.10 177.83 2jgd n GLY 232 N 3.10 5.55 0.31 0.20 0.00 0.28 -3.46 105.19 111.18 2jgd n GLY 232 Ca 0.26 -2.30 0.15 0.00 0.00 0.00 0.00 46.02 44.13 2jgd n GLY 232 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jgd h ASP 233 N 2.48 0.00 0.20 1.61 5.19 -1.90 -1.96 116.42 122.04 2jgd h ASP 233 Ca 0.56 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.97 2jgd h ASP 233 Cb 0.46 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.97 2jgd h ASP 233 CO 1.45 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 177.57 2jgd n ALA 234 N -2.38 1.89 0.08 3.45 0.00 -1.26 -1.97 120.51 120.31 2jgd n ALA 234 Ca -0.00 -0.08 0.04 0.00 0.00 0.00 0.00 53.44 53.40 2jgd n ALA 234 Cb 0.21 -1.24 0.45 0.00 0.00 0.00 0.00 19.45 18.87 2jgd n ALA 234 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2jgd h LEU 235 N 0.00 0.32 0.26 0.00 5.85 -1.73 -1.00 115.31 119.02 2jgd h LEU 235 Ca 0.00 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2jgd h LEU 235 Cb 0.10 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2jgd h LEU 235 CO 0.00 0.30 -0.13 0.40 -0.34 0.00 0.00 178.44 178.68 2jgd h ILE 236 N 0.36 0.48 -0.93 4.05 1.08 -1.66 0.47 117.51 121.37 2jgd h ILE 236 Ca 0.09 -0.89 0.21 0.00 -0.39 0.00 0.00 64.86 63.89 2jgd h ILE 236 Cb 0.09 0.80 -0.07 0.00 -3.07 0.00 0.00 36.82 34.57 2jgd h ILE 236 CO -0.01 0.12 0.61 -0.65 -0.69 0.00 0.00 178.15 177.54 2jgd h PRO 237 N -0.97 0.40 0.10 2.37 0.11 -1.75 0.72 132.00 132.98 2jgd h PRO 237 Ca -0.04 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 2jgd h PRO 237 Cb 0.47 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.49 2jgd h PRO 237 CO 0.06 0.26 -0.05 1.98 -0.21 0.00 0.00 178.00 180.04 2jgd h MET 238 N 0.41 -0.14 -0.74 1.05 4.05 -1.00 -1.02 114.93 117.55 2jgd h MET 238 Ca 0.49 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.90 2jgd h MET 238 Cb 1.23 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 32.03 2jgd h MET 238 CO -0.20 0.31 0.38 -0.07 0.23 0.00 0.00 176.91 177.56 2jgd h LEU 239 N -0.65 0.94 -0.91 3.39 3.38 -0.69 0.11 115.31 120.88 2jgd h LEU 239 Ca -0.01 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 2jgd h LEU 239 Cb 0.51 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2jgd h LEU 239 CO 0.02 0.79 -0.08 0.11 0.09 0.00 0.00 178.44 179.37 2jgd h LYS 240 N 1.03 0.71 -0.18 1.13 1.79 -0.84 -1.53 116.57 118.67 2jgd h LYS 240 Ca 0.26 -0.21 -0.21 0.00 -2.18 0.00 0.00 60.65 58.30 2jgd h LYS 240 Cb 0.08 -0.07 0.01 0.00 -1.58 0.00 0.00 32.23 30.66 2jgd h LYS 240 CO -0.04 0.78 -0.70 1.49 -1.08 0.00 0.00 179.45 179.90 2jgd h GLU 241 N 0.65 0.76 -0.69 3.15 4.57 -0.86 -1.95 114.58 120.22 2jgd h GLU 241 Ca 0.12 -0.58 0.06 0.00 -1.18 0.00 0.00 59.36 57.78 2jgd h GLU 241 Cb 0.53 0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 29.17 2jgd h GLU 241 CO 0.03 1.20 0.38 1.98 -1.18 0.00 0.00 179.01 181.42 2jgd h MET 242 N 0.54 0.68 -0.15 1.92 4.05 -0.34 -0.06 114.93 121.57 2jgd h MET 242 Ca -0.03 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.29 2jgd h MET 242 Cb 1.32 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 31.96 2jgd h MET 242 CO 0.14 0.45 -0.15 0.82 0.23 0.00 0.00 176.91 178.41 2jgd h ILE 243 N 0.70 1.34 -0.55 1.77 2.04 -1.15 0.15 117.51 121.81 2jgd h ILE 243 Ca 0.31 -1.30 0.08 0.00 1.00 0.00 0.00 64.86 64.95 2jgd h ILE 243 Cb 0.21 1.86 -0.07 0.00 -0.74 0.00 0.00 36.82 38.08 2jgd h ILE 243 CO -0.19 0.38 0.20 0.03 0.00 0.00 0.00 178.15 178.57 2jgd h ARG 244 N -0.00 0.37 -0.45 2.37 3.08 -1.05 -0.60 114.38 118.09 2jgd h ARG 244 Ca 0.02 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 2jgd h ARG 244 Cb 0.68 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 2jgd h ARG 244 CO 0.04 0.24 -0.14 1.25 -1.07 0.00 0.00 179.97 180.29 2jgd h HIS 245 N 0.38 0.92 -0.58 3.04 2.76 -0.74 -1.80 115.15 119.12 2jgd h HIS 245 Ca 0.27 -0.18 0.07 0.00 -2.20 0.00 0.00 60.37 58.33 2jgd h HIS 245 Cb 0.32 -0.23 -0.06 0.00 1.55 0.00 0.00 27.41 28.99 2jgd h HIS 245 CO -0.17 0.91 0.27 0.00 -1.30 0.00 0.00 177.93 177.64 2jgd h ALA 246 N 1.10 0.76 -0.71 5.26 0.00 -0.55 -2.40 119.26 122.73 2jgd h ALA 246 Ca 0.12 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.15 2jgd h ALA 246 Cb 0.64 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 2jgd h ALA 246 CO 0.04 -0.10 0.38 0.78 0.00 0.00 0.00 179.25 180.36 2jgd h GLY 247 N 0.50 1.05 0.19 0.00 0.00 -0.30 -1.12 103.07 103.41 2jgd h GLY 247 Ca 0.27 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2jgd h GLY 247 CO -0.22 0.13 0.00 0.70 0.00 0.00 0.00 176.54 177.14 2jgd n ASN 248 N -4.80 0.56 -0.17 0.19 4.13 -0.86 -2.45 115.26 111.85 2jgd n ASN 248 Ca 0.10 -1.44 0.06 0.00 1.68 0.00 0.00 54.58 54.99 2jgd n ASN 248 Cb 0.22 -0.03 0.09 0.00 -1.54 0.00 0.00 39.78 38.52 2jgd n ASN 248 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2jgd n SER 249 N -0.45 1.65 -0.07 6.41 3.41 -0.59 -4.99 113.62 118.98 2jgd n SER 249 Ca 0.16 -2.66 -0.01 0.00 -0.26 0.00 0.00 58.87 56.11 2jgd n SER 249 Cb 0.16 -0.32 -0.00 0.00 -0.26 0.00 0.00 64.21 63.79 2jgd n SER 249 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jgd n GLY 250 N -0.95 0.49 3.75 5.00 0.00 -1.01 -4.93 105.19 107.54 2jgd n GLY 250 Ca 0.10 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 2jgd n GLY 250 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jgd s THR 251 N -1.96 3.19 -0.09 2.61 2.01 -0.53 -4.55 115.64 116.33 2jgd s THR 251 Ca 0.00 1.08 0.06 0.00 0.31 0.00 0.00 61.69 63.14 2jgd s THR 251 Cb 0.00 -3.69 -0.09 0.00 0.01 0.00 0.00 72.50 68.73 2jgd s THR 251 CO 0.00 0.21 -0.00 0.54 -0.69 0.00 0.00 174.62 174.68 2jgd n ARG 252 N 1.76 2.00 -4.15 4.92 3.00 0.42 -4.47 116.66 120.15 2jgd n ARG 252 Ca 0.02 0.01 -0.17 0.00 -0.01 0.00 0.00 57.85 57.71 2jgd n ARG 252 Cb 0.43 -1.21 -0.12 0.00 0.00 0.00 0.00 32.46 31.56 2jgd n ARG 252 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2jgd s GLU 253 N -2.20 0.75 -0.09 5.56 2.02 -0.99 0.41 118.70 124.16 2jgd s GLU 253 Ca -0.07 -0.91 0.01 0.00 0.02 0.00 0.00 54.97 54.02 2jgd s GLU 253 Cb 0.03 -0.70 0.02 0.00 0.10 0.00 0.00 34.13 33.57 2jgd s GLU 253 CO 0.31 0.15 -0.11 0.08 0.02 0.00 0.00 175.26 175.72 2jgd s VAL 254 N -1.31 1.15 -0.19 2.63 1.01 0.11 -0.77 120.40 123.03 2jgd s VAL 254 Ca -0.04 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 2jgd s VAL 254 Cb -0.10 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 2jgd s VAL 254 CO 0.02 0.37 -0.04 -0.69 0.00 0.00 0.00 175.10 174.76 2jgd s VAL 255 N 1.08 3.54 0.02 2.92 1.01 -0.33 -0.54 120.40 128.10 2jgd s VAL 255 Ca -0.06 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.51 2jgd s VAL 255 Cb -0.14 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 2jgd s VAL 255 CO -0.01 0.45 -0.10 -0.76 0.00 0.00 0.00 175.10 174.67 2jgd s LEU 256 N 1.05 3.01 -0.02 3.92 1.02 0.11 -0.36 118.68 127.41 2jgd s LEU 256 Ca 0.01 -0.24 0.02 0.00 0.02 0.00 0.00 54.13 53.93 2jgd s LEU 256 Cb -0.15 -1.75 0.01 0.00 0.02 0.00 0.00 46.19 44.33 2jgd s LEU 256 CO 0.00 0.26 -0.06 -0.83 0.02 0.00 0.00 176.35 175.75 2jgd s GLY 257 N -1.51 0.40 0.00 -3.19 0.00 -0.61 -0.48 107.32 101.93 2jgd s GLY 257 Ca 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.69 2jgd s GLY 257 CO 0.08 0.04 0.00 1.15 0.00 0.00 0.00 173.10 174.37 2jgd n MET 258 N 3.40 0.00 0.00 2.90 0.00 -1.26 -0.59 117.12 121.57 2jgd n MET 258 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.51 2jgd n MET 258 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.76 2jgd n MET 258 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2jgd n ALA 259 N -3.00 0.00 -0.07 3.17 0.00 -1.26 -4.96 120.51 114.38 2jgd n ALA 259 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 2jgd n ALA 259 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 2jgd n ALA 259 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2jgd n HIS 260 N 0.00 0.72 -1.84 0.00 1.44 -1.26 -4.36 115.22 109.91 2jgd n HIS 260 Ca 0.00 0.19 -0.42 0.00 -2.01 0.00 0.00 57.72 55.48 2jgd n HIS 260 Cb 0.00 -1.09 -0.03 0.00 0.12 0.00 0.00 29.99 28.99 2jgd n HIS 260 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 2jgd s ARG 261 N -2.51 4.17 0.00 -1.40 3.52 -1.26 -0.87 118.95 120.59 2jgd s ARG 261 Ca -0.29 2.41 0.00 0.00 -0.13 0.00 0.00 55.73 57.72 2jgd s ARG 261 Cb 0.08 -3.88 0.00 0.00 -1.56 0.00 0.00 34.95 29.60 2jgd s ARG 261 CO 0.66 -0.85 0.00 0.41 -0.81 0.00 0.00 175.30 174.71 2jgd n GLY 262 N 4.23 2.11 0.25 8.12 0.00 -0.75 -4.92 105.19 114.23 2jgd n GLY 262 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.21 2jgd n GLY 262 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2jgd h ARG 263 N 2.60 0.45 -0.28 1.61 9.65 -1.20 -0.96 114.38 126.25 2jgd h ARG 263 Ca 0.00 -0.03 -0.14 0.00 -1.10 0.00 0.00 59.98 58.72 2jgd h ARG 263 Cb 0.00 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.47 2jgd h ARG 263 CO 0.00 0.30 -0.39 -0.07 2.80 0.00 0.00 179.97 182.61 2jgd h LEU 264 N 0.46 0.68 -0.30 3.80 3.38 -1.90 -1.21 115.31 120.22 2jgd h LEU 264 Ca 0.33 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2jgd h LEU 264 Cb 0.42 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2jgd h LEU 264 CO -0.31 0.99 0.16 -1.13 0.09 0.00 0.00 178.44 178.24 2jgd h ASN 265 N 0.53 0.38 -0.52 -0.43 -0.73 -1.68 -1.36 115.58 111.77 2jgd h ASN 265 Ca 0.05 -0.09 -0.12 0.00 1.87 0.00 0.00 56.30 58.00 2jgd h ASN 265 Cb 0.90 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 39.38 2jgd h ASN 265 CO 0.08 0.36 -0.15 0.58 -0.37 0.00 0.00 177.43 177.93 2jgd h VAL 266 N 0.37 1.27 0.08 2.57 2.07 -1.04 0.73 116.25 122.29 2jgd h VAL 266 Ca 0.11 -1.31 0.02 0.00 0.82 0.00 0.00 66.70 66.33 2jgd h VAL 266 Cb 0.07 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 2jgd h VAL 266 CO -0.02 0.46 -0.27 -0.07 0.02 0.00 0.00 177.57 177.70 2jgd h LEU 267 N 0.90 -0.77 0.00 2.57 3.38 -1.05 -0.50 115.31 119.85 2jgd h LEU 267 Ca 0.13 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 2jgd h LEU 267 Cb 0.73 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2jgd h LEU 267 CO 0.06 -0.35 -0.00 0.58 0.09 0.00 0.00 178.44 178.82 2jgd h VAL 268 N -0.45 1.63 -0.00 1.22 2.07 -0.93 -0.13 116.25 119.66 2jgd h VAL 268 Ca 0.04 -2.00 0.00 0.00 0.82 0.00 0.00 66.70 65.56 2jgd h VAL 268 Cb 0.50 2.98 0.00 0.00 -1.52 0.00 0.00 31.29 33.25 2jgd h VAL 268 CO -0.18 0.51 -0.41 0.59 0.02 0.00 0.00 177.57 178.10 2jgd n ASN 269 N -4.68 0.82 -0.02 0.57 3.02 0.25 -3.37 115.26 111.85 2jgd n ASN 269 Ca -0.09 -0.62 -0.04 0.00 -0.03 0.00 0.00 54.58 53.79 2jgd n ASN 269 Cb 0.41 0.24 -0.02 0.00 -0.61 0.00 0.00 39.78 39.80 2jgd n ASN 269 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2jgd n VAL 270 N -1.05 0.22 0.02 2.41 0.31 -0.45 -4.85 118.33 114.94 2jgd n VAL 270 Ca 0.09 -0.06 -0.06 0.00 -0.01 0.00 0.00 64.34 64.29 2jgd n VAL 270 Cb 0.35 -1.40 -0.12 0.00 -0.91 0.00 0.00 33.84 31.76 2jgd n VAL 270 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2jgd h LEU 271 N -0.12 0.00 0.00 7.52 -0.00 -0.97 -3.49 115.31 118.25 2jgd h LEU 271 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.78 2jgd h LEU 271 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.76 2jgd h LEU 271 CO -0.05 0.90 0.00 0.61 -0.00 0.00 0.00 178.44 179.89 2jgd n GLY 272 N 1.46 1.09 3.72 0.83 0.00 -0.14 -4.72 105.19 107.44 2jgd n GLY 272 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2jgd n GLY 272 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jgd n LYS 273 N -1.77 2.35 -1.90 1.61 4.81 -0.73 -4.75 118.16 117.78 2jgd n LYS 273 Ca 0.00 0.83 -0.42 0.00 -0.87 0.00 0.00 58.31 57.85 2jgd n LYS 273 Cb 0.00 -2.51 -0.03 0.00 0.02 0.00 0.00 35.03 32.51 2jgd n LYS 273 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2jgd s LYS 274 N -1.12 4.18 0.27 1.64 1.02 -1.26 -4.52 119.74 119.95 2jgd s LYS 274 Ca 0.61 2.35 -0.01 0.00 0.02 0.00 0.00 55.97 58.94 2jgd s LYS 274 Cb -0.56 -3.85 0.59 0.00 -0.52 0.00 0.00 37.83 33.50 2jgd s LYS 274 CO 0.55 -0.82 1.67 -1.35 -0.92 0.00 0.00 175.35 174.48 2jgd h PRO 275 N 9.21 0.26 -0.70 -1.68 0.11 -1.77 0.14 132.00 137.57 2jgd h PRO 275 Ca -0.43 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.75 2jgd h PRO 275 Cb 1.20 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 32.19 2jgd h PRO 275 CO 0.94 0.17 0.36 0.37 -0.21 0.00 0.00 178.00 179.63 2jgd h GLN 276 N 0.27 0.60 -0.85 1.05 5.75 -1.57 0.38 115.11 120.74 2jgd h GLN 276 Ca 0.49 -0.04 0.05 0.00 -0.15 0.00 0.00 58.65 59.00 2jgd h GLN 276 Cb 0.90 -0.14 -0.06 0.00 1.07 0.00 0.00 27.48 29.26 2jgd h GLN 276 CO -0.57 0.40 0.54 -0.44 -2.65 0.00 0.00 178.83 176.10 2jgd h ASP 277 N 0.62 0.86 -0.38 -0.69 3.32 -1.01 -0.12 116.42 119.02 2jgd h ASP 277 Ca 0.34 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.29 2jgd h ASP 277 Cb 0.33 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2jgd h ASP 277 CO -0.25 0.57 -0.19 0.25 -1.72 0.00 0.00 179.24 177.89 2jgd h LEU 278 N 1.00 0.83 -1.00 1.55 5.85 -0.46 -1.85 115.31 121.24 2jgd h LEU 278 Ca 0.36 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 2jgd h LEU 278 Cb 0.11 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 2jgd h LEU 278 CO -0.15 1.05 0.36 -0.26 -0.34 0.00 0.00 178.44 179.10 2jgd h PHE 279 N 0.60 1.07 -0.52 1.25 0.05 0.04 -1.99 116.94 117.44 2jgd h PHE 279 Ca 0.08 -0.05 0.00 0.00 3.82 0.00 0.00 57.97 61.83 2jgd h PHE 279 Cb 0.75 -0.33 -0.03 0.00 2.00 0.00 0.00 35.95 38.34 2jgd h PHE 279 CO 0.06 0.78 0.34 -0.44 -0.18 0.00 0.00 178.31 178.86 2jgd h ASP 280 N 1.06 0.60 -0.81 2.17 3.32 -0.88 -2.40 116.42 119.48 2jgd h ASP 280 Ca 0.26 -0.02 0.12 0.00 0.02 0.00 0.00 57.03 57.40 2jgd h ASP 280 Cb 0.11 -0.15 -0.08 0.00 0.22 0.00 0.00 39.33 39.43 2jgd h ASP 280 CO -0.03 0.44 0.43 -0.33 -1.72 0.00 0.00 179.24 178.03 2jgd h GLU 281 N 0.70 0.66 0.00 3.56 5.08 -0.59 -0.72 114.58 123.26 2jgd h GLU 281 Ca 0.19 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 2jgd h GLU 281 Cb -0.07 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.03 2jgd h GLU 281 CO -0.04 0.43 -0.13 0.74 -1.00 0.00 0.00 179.01 179.01 2jgd h PHE 282 N 0.68 0.00 -0.01 4.33 -1.00 -1.03 -1.81 116.94 118.09 2jgd h PHE 282 Ca 0.41 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.19 2jgd h PHE 282 Cb 0.49 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.05 2jgd h PHE 282 CO -0.09 0.13 -0.23 0.00 -1.61 0.00 0.00 178.31 176.52 2jgd n ALA 283 N -2.28 3.03 -1.32 2.45 0.00 -0.46 -4.95 120.51 116.98 2jgd n ALA 283 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2jgd n ALA 283 Cb 0.26 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.66 2jgd n ALA 283 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jgd n GLY 284 N 1.32 0.47 3.70 0.00 0.00 -0.68 -5.06 105.19 104.95 2jgd n GLY 284 Ca 0.13 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.87 2jgd n GLY 284 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jgd s LYS 285 N -2.68 4.15 0.00 1.61 -0.14 -0.40 -5.01 119.74 117.26 2jgd s LYS 285 Ca 0.00 -0.21 0.00 0.00 -1.36 0.00 0.00 55.97 54.40 2jgd s LYS 285 Cb 0.00 -3.47 0.00 0.00 -1.68 0.00 0.00 37.83 32.68 2jgd s LYS 285 CO 0.00 0.19 0.00 0.72 -0.76 0.00 0.00 175.35 175.50 2jgd n HIS 286 N 3.85 0.00 -0.42 3.18 8.25 -1.26 -3.82 115.22 125.00 2jgd n HIS 286 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 2jgd n HIS 286 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 2jgd n HIS 286 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2jgd n HIS 289 N 0.00 0.00 -2.44 4.41 1.44 -1.26 -5.18 115.22 112.20 2jgd n HIS 289 Ca 0.00 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.74 2jgd n HIS 289 Cb 0.00 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.16 2jgd n HIS 289 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2jgd n LEU 290 N -2.37 1.44 0.00 2.39 4.77 -1.26 -5.02 117.00 116.95 2jgd n LEU 290 Ca 0.00 -2.51 0.00 0.00 -0.03 0.00 0.00 56.01 53.47 2jgd n LEU 290 Cb 0.07 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2jgd n LEU 290 CO 0.00 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 2jgd n GLY 291 N 0.06 4.81 0.08 -0.72 0.00 -1.26 -5.07 105.19 103.09 2jgd n GLY 291 Ca 0.09 -2.01 0.12 0.00 0.00 0.00 0.00 46.02 44.22 2jgd n GLY 291 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jgd h THR 292 N 0.00 0.00 0.00 2.61 1.35 -1.58 -3.50 112.91 111.79 2jgd h THR 292 Ca 0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2jgd h THR 292 Cb 0.00 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 2jgd h THR 292 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2jgd n GLY 293 N 1.30 -2.78 3.11 5.82 0.00 -0.10 -4.94 105.19 107.60 2jgd n GLY 293 Ca 0.03 -1.70 -0.09 0.00 0.00 0.00 0.00 46.02 44.25 2jgd n GLY 293 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jgd n ASP 294 N -0.47 -1.75 -4.89 1.61 2.03 -1.21 -4.40 116.55 107.47 2jgd n ASP 294 Ca 0.00 -2.43 -0.29 0.00 0.52 0.00 0.00 54.79 52.59 2jgd n ASP 294 Cb 0.00 2.97 0.02 0.00 -0.72 0.00 0.00 41.12 43.40 2jgd n ASP 294 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2jgd s VAL 295 N -2.38 4.12 0.28 5.18 -7.23 -1.26 -4.94 120.40 114.18 2jgd s VAL 295 Ca 0.16 0.45 0.24 0.00 -1.81 0.00 0.00 61.98 61.02 2jgd s VAL 295 Cb -0.03 -3.65 0.24 0.00 0.56 0.00 0.00 36.38 33.50 2jgd s VAL 295 CO 0.12 -0.78 1.93 0.07 -0.31 0.00 0.00 175.10 176.13 2jgd h LYS 296 N -0.30 0.00 0.00 4.82 2.10 -2.01 -2.36 116.57 118.82 2jgd h LYS 296 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2jgd h LYS 296 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 2jgd h LYS 296 CO 0.62 0.20 0.00 0.66 -2.00 0.00 0.00 179.45 178.94 2jgd n TYR 297 N -3.56 0.00 -0.43 0.07 4.01 -1.26 -2.73 117.16 113.26 2jgd n TYR 297 Ca -0.01 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.82 2jgd n TYR 297 Cb 0.35 -0.20 0.28 0.00 -0.31 0.00 0.00 39.34 39.46 2jgd n TYR 297 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2jgd n HIS 298 N -1.20 0.98 -2.82 -0.72 8.25 -0.89 -4.60 115.22 114.23 2jgd n HIS 298 Ca 0.17 -0.56 -0.41 0.00 -0.26 0.00 0.00 57.72 56.66 2jgd n HIS 298 Cb 0.20 -0.10 -0.04 0.00 1.12 0.00 0.00 29.99 31.18 2jgd n HIS 298 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2jgd s MET 299 N -1.36 4.53 0.39 -0.41 -1.94 -1.10 -3.20 119.30 116.20 2jgd s MET 299 Ca 0.42 1.25 -0.03 0.00 -1.71 0.00 0.00 55.69 55.63 2jgd s MET 299 Cb 0.25 -3.45 0.08 0.00 2.01 0.00 0.00 34.83 33.72 2jgd s MET 299 CO 0.25 -0.00 0.53 0.41 -0.01 0.00 0.00 175.02 176.20 2jgd n GLY 300 N 2.94 0.07 3.63 -0.03 0.00 -1.25 -4.80 105.19 105.76 2jgd n GLY 300 Ca 0.04 -1.90 -0.06 0.00 0.00 0.00 0.00 46.02 44.10 2jgd n GLY 300 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jgd s PHE 301 N -1.70 -0.25 -0.06 1.61 2.19 -0.55 -4.96 117.98 114.27 2jgd s PHE 301 Ca 0.33 0.55 0.04 0.00 0.33 0.00 0.00 56.93 58.18 2jgd s PHE 301 Cb -0.02 0.44 -0.00 0.00 -1.31 0.00 0.00 43.02 42.13 2jgd s PHE 301 CO 0.23 -0.16 -0.19 -1.12 1.83 0.00 0.00 175.22 175.81 2jgd s SER 302 N -0.33 2.38 0.30 6.13 0.01 -1.26 -1.04 113.70 119.89 2jgd s SER 302 Ca 0.04 -0.40 -0.15 0.00 1.31 0.00 0.00 55.95 56.75 2jgd s SER 302 Cb -0.03 -0.78 0.02 0.00 0.21 0.00 0.00 66.02 65.44 2jgd s SER 302 CO -0.08 0.15 0.64 -0.94 0.41 0.00 0.00 173.24 173.43 2jgd s SER 303 N 0.13 -0.03 0.14 2.44 1.04 -0.33 -4.96 113.70 112.14 2jgd s SER 303 Ca -0.07 -0.92 0.05 0.00 0.48 0.00 0.00 55.95 55.49 2jgd s SER 303 Cb -0.13 0.71 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 2jgd s SER 303 CO 0.04 -1.37 0.06 -1.81 0.98 0.00 0.00 173.24 171.14 2jgd s ASP 304 N -3.02 5.20 -0.06 7.02 1.01 -1.03 0.50 116.67 126.29 2jgd s ASP 304 Ca 0.17 -0.20 -0.02 0.00 0.71 0.00 0.00 52.55 53.21 2jgd s ASP 304 Cb -0.04 -1.27 0.04 0.00 1.01 0.00 0.00 42.92 42.66 2jgd s ASP 304 CO 0.10 0.11 0.10 0.12 0.21 0.00 0.00 175.17 175.82 2jgd s PHE 305 N -1.60 -0.06 -0.30 4.23 5.36 0.18 -0.88 117.98 124.92 2jgd s PHE 305 Ca 0.29 0.40 -0.23 0.00 -0.96 0.00 0.00 56.93 56.43 2jgd s PHE 305 Cb -0.10 -0.33 -0.00 0.00 -0.34 0.00 0.00 43.02 42.24 2jgd s PHE 305 CO 0.21 -0.21 0.74 -1.14 -1.46 0.00 0.00 175.22 173.36 2jgd s GLN 306 N 1.99 3.98 0.28 10.12 2.00 0.60 -1.38 119.66 137.24 2jgd s GLN 306 Ca 0.01 0.55 0.08 0.00 -2.00 0.00 0.00 55.36 54.00 2jgd s GLN 306 Cb -0.12 -3.71 -0.04 0.00 0.80 0.00 0.00 33.01 29.94 2jgd s GLN 306 CO -0.04 -0.62 0.13 0.95 -0.50 0.00 0.00 175.29 175.21 2jgd s THR 307 N 2.83 3.83 0.40 -0.34 -4.23 0.27 -4.83 115.64 113.57 2jgd s THR 307 Ca 0.30 -1.61 0.21 0.00 -1.18 0.00 0.00 61.69 59.42 2jgd s THR 307 Cb -0.14 -3.14 0.41 0.00 1.34 0.00 0.00 72.50 70.96 2jgd s THR 307 CO 0.12 -0.32 1.72 0.44 -0.54 0.00 0.00 174.62 176.04 2jgd h ASP 308 N 1.60 0.40 0.16 3.99 5.19 -1.95 -0.79 116.42 125.02 2jgd h ASP 308 Ca -0.46 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.06 2jgd h ASP 308 Cb 1.25 0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.81 2jgd h ASP 308 CO 0.61 -0.01 -0.23 0.61 -3.12 0.00 0.00 179.24 177.10 2jgd n GLY 309 N -1.47 -0.38 0.00 2.75 0.00 -1.26 -5.02 105.19 99.81 2jgd n GLY 309 Ca 0.29 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2jgd n GLY 309 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgd n GLY 310 N 1.32 0.96 3.57 -0.02 0.00 -0.30 -4.70 105.19 106.01 2jgd n GLY 310 Ca 0.13 -1.92 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 2jgd n GLY 310 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jgd s LEU 311 N 0.00 4.30 -0.12 0.99 2.96 -1.26 -0.56 118.68 124.98 2jgd s LEU 311 Ca 0.00 -0.01 -0.07 0.00 -0.22 0.00 0.00 54.13 53.83 2jgd s LEU 311 Cb 0.00 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 2jgd s LEU 311 CO 0.00 -0.35 0.15 -0.69 -1.32 0.00 0.00 176.35 174.14 2jgd s VAL 312 N 2.17 5.49 -0.02 1.68 1.01 -0.48 -4.83 120.40 125.42 2jgd s VAL 312 Ca 0.15 0.23 -0.23 0.00 0.00 0.00 0.00 61.98 62.14 2jgd s VAL 312 Cb -0.16 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 2jgd s VAL 312 CO 0.12 0.61 0.69 -2.28 0.00 0.00 0.00 175.10 174.23 2jgd s HIS 313 N -0.96 3.65 -0.12 5.22 2.46 0.17 -0.65 115.29 125.07 2jgd s HIS 313 Ca 0.15 1.30 -0.01 0.00 0.47 0.00 0.00 55.06 56.97 2jgd s HIS 313 Cb -0.12 -2.75 -0.03 0.00 -0.13 0.00 0.00 32.58 29.55 2jgd s HIS 313 CO 0.04 0.22 -0.07 -0.51 -2.47 0.00 0.00 174.74 171.95 2jgd s LEU 314 N 0.26 3.11 -0.20 8.88 1.43 0.18 0.10 118.68 132.44 2jgd s LEU 314 Ca 0.36 -0.13 -0.03 0.00 -1.03 0.00 0.00 54.13 53.30 2jgd s LEU 314 Cb -0.19 -1.71 0.06 0.00 0.03 0.00 0.00 46.19 44.39 2jgd s LEU 314 CO 0.19 0.24 0.06 0.00 0.23 0.00 0.00 176.35 177.07 2jgd s ALA 315 N -0.09 0.88 -0.26 4.21 0.00 0.30 -1.18 121.76 125.62 2jgd s ALA 315 Ca 0.01 -0.68 -0.12 0.00 0.00 0.00 0.00 51.96 51.17 2jgd s ALA 315 Cb -0.13 -1.18 -0.05 0.00 0.00 0.00 0.00 23.12 21.76 2jgd s ALA 315 CO 0.03 -1.23 0.23 -1.17 0.00 0.00 0.00 175.76 173.62 2jgd s LEU 316 N 1.92 4.06 0.66 0.00 2.96 -0.20 0.09 118.68 128.17 2jgd s LEU 316 Ca 0.01 0.12 -0.17 0.00 -0.22 0.00 0.00 54.13 53.87 2jgd s LEU 316 Cb -0.17 -2.20 -0.01 0.00 0.50 0.00 0.00 46.19 44.31 2jgd s LEU 316 CO -0.11 -0.04 1.17 0.00 -1.32 0.00 0.00 176.35 176.05 2jgd n ALA 317 N 4.83 0.68 -2.06 5.97 0.00 0.37 -1.49 120.51 128.81 2jgd n ALA 317 Ca -0.13 -0.04 -0.30 0.00 0.00 0.00 0.00 53.44 52.97 2jgd n ALA 317 Cb 0.52 -2.24 -0.00 0.00 0.00 0.00 0.00 19.45 17.72 2jgd n ALA 317 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2jgd s PHE 318 N -1.52 3.57 0.11 0.00 0.08 -1.26 -3.78 117.98 115.19 2jgd s PHE 318 Ca 0.80 1.09 -0.25 0.00 0.12 0.00 0.00 56.93 58.69 2jgd s PHE 318 Cb -0.38 -2.53 0.08 0.00 -0.57 0.00 0.00 43.02 39.62 2jgd s PHE 318 CO 0.43 -0.44 0.74 0.54 -0.10 0.00 0.00 175.22 176.40 2jgd s ASN 319 N -3.94 -0.44 0.77 1.36 4.22 -1.19 -4.95 114.94 110.76 2jgd s ASN 319 Ca 0.52 -0.08 -0.03 0.00 -2.14 0.00 0.00 52.86 51.13 2jgd s ASN 319 Cb -0.11 0.53 0.15 0.00 1.28 0.00 0.00 41.25 43.10 2jgd s ASN 319 CO 0.46 -0.87 0.99 -0.81 -2.04 0.00 0.00 177.10 174.83 2jgd n PRO 320 N -0.34 -0.29 0.25 3.55 -0.04 -1.26 -4.68 135.00 132.19 2jgd n PRO 320 Ca -0.12 -2.43 0.14 0.00 -0.04 0.00 0.00 63.50 61.05 2jgd n PRO 320 Cb 0.63 -0.75 0.58 0.00 -0.04 0.00 0.00 33.50 33.92 2jgd n PRO 320 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2jgd h SER 321 N -0.76 0.00 -2.23 3.54 0.02 -1.99 -3.44 113.55 108.69 2jgd h SER 321 Ca -0.33 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.05 2jgd h SER 321 Cb 1.14 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.70 2jgd h SER 321 CO 0.32 0.11 1.14 1.41 -1.14 0.00 0.00 176.83 178.68 2jgd n HIS 322 N -3.26 2.44 -2.72 3.45 8.25 -1.26 -4.93 115.22 117.19 2jgd n HIS 322 Ca 0.00 -0.17 -0.41 0.00 -0.26 0.00 0.00 57.72 56.89 2jgd n HIS 322 Cb 0.36 -2.73 -0.04 0.00 1.12 0.00 0.00 29.99 28.70 2jgd n HIS 322 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2jgd s LEU 323 N 3.94 4.49 0.00 2.41 1.43 -1.26 -4.24 118.68 125.45 2jgd s LEU 323 Ca 0.89 1.79 0.00 0.00 -1.03 0.00 0.00 54.13 55.79 2jgd s LEU 323 Cb -0.56 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.07 2jgd s LEU 323 CO 0.45 -0.08 0.00 -0.62 0.23 0.00 0.00 176.35 176.33 2jgd n GLU 324 N 2.84 0.00 -0.01 1.70 -0.58 -1.26 -4.89 120.64 118.44 2jgd n GLU 324 Ca 0.03 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.87 2jgd n GLU 324 Cb 0.49 -0.16 -0.15 0.00 -0.57 0.00 0.00 31.44 31.05 2jgd n GLU 324 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 2jgd n ILE 325 N -2.00 0.00 0.33 -3.67 0.13 -1.26 -3.73 119.36 109.16 2jgd n ILE 325 Ca 0.00 -0.30 0.13 0.00 -1.10 0.00 0.00 62.75 61.48 2jgd n ILE 325 Cb 0.00 0.40 0.59 0.00 -0.84 0.00 0.00 39.64 39.79 2jgd n ILE 325 CO 0.00 0.00 0.00 1.62 2.80 0.00 0.00 176.55 180.97 2jgd h VAL 326 N 0.00 0.00 0.45 9.51 3.04 -1.90 -3.31 116.25 124.03 2jgd h VAL 326 Ca 0.00 -0.23 -0.02 0.00 -1.01 0.00 0.00 66.70 65.44 2jgd h VAL 326 Cb 0.79 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.06 2jgd h VAL 326 CO 0.00 0.00 -0.21 0.28 -1.01 0.00 0.00 177.57 176.63 2jgd h SER 327 N 0.00 -0.51 -0.03 3.17 0.02 -1.96 0.19 113.55 114.43 2jgd h SER 327 Ca 0.00 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2jgd h SER 327 Cb 0.31 0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 2jgd h SER 327 CO 0.00 -0.32 0.05 1.55 -1.14 0.00 0.00 176.83 176.97 2jgd h PRO 328 N -0.69 0.00 -0.30 3.45 0.13 -1.82 0.66 132.00 133.43 2jgd h PRO 328 Ca -0.06 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 2jgd h PRO 328 Cb 0.46 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 2jgd h PRO 328 CO 0.10 0.00 0.06 0.28 -0.23 0.00 0.00 178.00 178.21 2jgd h VAL 329 N 0.00 1.23 -0.15 1.56 2.07 -1.57 -1.79 116.25 117.60 2jgd h VAL 329 Ca 0.01 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.77 2jgd h VAL 329 Cb 0.11 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2jgd h VAL 329 CO -0.00 0.25 0.09 0.58 0.02 0.00 0.00 177.57 178.51 2jgd h VAL 330 N 0.33 1.02 -0.02 2.57 2.07 0.12 -0.40 116.25 121.95 2jgd h VAL 330 Ca 0.09 -0.06 -0.18 0.00 0.82 0.00 0.00 66.70 67.37 2jgd h VAL 330 Cb 0.32 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2jgd h VAL 330 CO 0.00 0.03 -0.79 0.16 0.02 0.00 0.00 177.57 177.00 2jgd h ILE 331 N 0.18 1.47 -0.59 4.57 -0.00 -1.46 0.21 117.51 121.90 2jgd h ILE 331 Ca 0.06 -2.45 0.12 0.00 -0.00 0.00 0.00 64.86 62.58 2jgd h ILE 331 Cb -0.01 2.34 -0.09 0.00 -0.00 0.00 0.00 36.82 39.06 2jgd h ILE 331 CO -0.02 0.71 0.07 1.23 -0.00 0.00 0.00 178.15 180.14 2jgd h GLY 332 N 1.81 0.70 0.57 0.16 0.00 -1.29 -2.03 103.07 102.99 2jgd h GLY 332 Ca -0.03 0.02 0.06 0.00 0.00 0.00 0.00 47.33 47.38 2jgd h GLY 332 CO 0.12 -0.15 0.14 0.23 0.00 0.00 0.00 176.54 176.88 2jgd h SER 333 N 0.19 0.12 0.69 0.19 0.87 0.11 -2.74 113.55 112.99 2jgd h SER 333 Ca 0.31 0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.85 2jgd h SER 333 Cb 0.48 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 2jgd h SER 333 CO -0.45 0.10 -0.38 -0.37 -0.53 0.00 0.00 176.83 175.20 2jgd h VAL 334 N 0.29 0.98 -0.35 2.23 -1.51 -0.88 -2.74 116.25 114.28 2jgd h VAL 334 Ca 0.21 -1.46 -0.12 0.00 -1.23 0.00 0.00 66.70 64.10 2jgd h VAL 334 Cb 0.22 1.86 -0.01 0.00 -2.13 0.00 0.00 31.29 31.23 2jgd h VAL 334 CO -0.23 0.37 -0.24 -0.09 -1.23 0.00 0.00 177.57 176.16 2jgd h ARG 335 N 0.00 0.78 -0.60 5.19 9.65 -1.07 -1.04 114.38 127.29 2jgd h ARG 335 Ca -0.00 -0.37 0.09 0.00 -1.10 0.00 0.00 59.98 58.59 2jgd h ARG 335 Cb 0.83 -0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 29.33 2jgd h ARG 335 CO 0.05 1.00 0.22 0.00 2.80 0.00 0.00 179.97 184.04 2jgd h ALA 336 N 0.77 0.76 -0.06 2.80 0.00 -1.37 0.97 119.26 123.12 2jgd h ALA 336 Ca 0.07 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 2jgd h ALA 336 Cb 0.80 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2jgd h ALA 336 CO 0.07 -0.20 -0.57 0.00 0.00 0.00 0.00 179.25 178.55 2jgd h ARG 337 N 0.40 0.20 -0.01 0.00 3.08 -1.19 -1.82 114.38 115.05 2jgd h ARG 337 Ca 0.30 -0.13 -0.12 0.00 0.07 0.00 0.00 59.98 60.10 2jgd h ARG 337 Cb 0.37 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 2jgd h ARG 337 CO -0.30 0.72 -0.57 -0.07 -1.07 0.00 0.00 179.97 178.68 2jgd h LEU 338 N 0.15 0.04 0.00 3.04 3.38 -0.66 -3.13 115.31 118.13 2jgd h LEU 338 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2jgd h LEU 338 Cb 1.06 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2jgd h LEU 338 CO 0.09 0.60 0.00 0.47 0.09 0.00 0.00 178.44 179.68 2jgd n ASP 339 N -3.87 0.00 -0.26 -0.43 8.00 0.29 -2.77 116.55 117.50 2jgd n ASP 339 Ca -0.01 -0.55 0.03 0.00 0.71 0.00 0.00 54.79 54.96 2jgd n ASP 339 Cb 0.57 -0.14 0.04 0.00 -0.02 0.00 0.00 41.12 41.57 2jgd n ASP 339 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2jgd n ARG 340 N -1.14 0.39 -2.33 -1.24 1.85 -1.14 -4.98 116.66 108.07 2jgd n ARG 340 Ca 0.19 -1.03 -0.27 0.00 -1.00 0.00 0.00 57.85 55.74 2jgd n ARG 340 Cb 0.17 -1.12 0.03 0.00 -1.05 0.00 0.00 32.46 30.49 2jgd n ARG 340 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2jgd s LEU 341 N -0.59 3.22 -0.18 2.89 1.43 -1.12 -5.04 118.68 119.28 2jgd s LEU 341 Ca 0.08 0.80 -0.06 0.00 -1.03 0.00 0.00 54.13 53.92 2jgd s LEU 341 Cb 0.05 -3.64 -0.22 0.00 0.03 0.00 0.00 46.19 42.42 2jgd s LEU 341 CO 0.08 -1.06 0.12 0.47 0.23 0.00 0.00 176.35 176.18 2jgd n ASP 342 N -2.62 2.05 -4.12 2.29 8.00 -1.26 -4.50 116.55 116.38 2jgd n ASP 342 Ca 0.05 0.13 -0.33 0.00 0.71 0.00 0.00 54.79 55.34 2jgd n ASP 342 Cb 0.57 -0.73 -0.16 0.00 -0.02 0.00 0.00 41.12 40.78 2jgd n ASP 342 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2jgd s GLU 343 N -2.52 3.00 -0.81 -1.24 2.56 -1.26 -5.09 118.70 113.33 2jgd s GLU 343 Ca -0.28 -0.83 0.02 0.00 0.00 0.00 0.00 54.97 53.88 2jgd s GLU 343 Cb 0.08 -2.57 0.32 0.00 2.00 0.00 0.00 34.13 33.95 2jgd s GLU 343 CO 0.68 -0.20 1.30 -0.35 -0.56 0.00 0.00 175.26 176.13 2jgd n PRO 344 N 4.60 4.09 -2.78 4.30 -0.04 -1.26 -5.02 135.00 138.89 2jgd n PRO 344 Ca -0.21 -4.73 -0.40 0.00 -0.04 0.00 0.00 63.50 58.12 2jgd n PRO 344 Cb 0.50 -2.36 -0.06 0.00 -0.04 0.00 0.00 33.50 31.54 2jgd n PRO 344 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2jgd s SER 345 N -2.36 7.58 0.34 3.54 1.04 -1.26 -4.95 113.70 117.63 2jgd s SER 345 Ca 0.42 1.87 0.12 0.00 0.48 0.00 0.00 55.95 58.83 2jgd s SER 345 Cb 0.20 -2.59 0.94 0.00 0.10 0.00 0.00 66.02 64.67 2jgd s SER 345 CO -0.08 0.12 1.75 0.77 0.98 0.00 0.00 173.24 176.78 2jgd h SER 346 N 4.47 0.62 0.10 7.02 4.64 -1.92 -0.78 113.55 127.70 2jgd h SER 346 Ca -0.45 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2jgd h SER 346 Cb 1.20 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2jgd h SER 346 CO 0.68 0.12 0.00 -0.46 -0.87 0.00 0.00 176.83 176.30 2jgd n ASN 347 N -4.79 0.00 0.06 4.97 6.94 -1.26 -2.51 115.26 118.67 2jgd n ASN 347 Ca 0.26 0.22 0.11 0.00 -0.02 0.00 0.00 54.58 55.16 2jgd n ASN 347 Cb 0.77 -0.29 0.03 0.00 -2.36 0.00 0.00 39.78 37.93 2jgd n ASN 347 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2jgd n LYS 348 N -1.29 0.42 -3.81 -3.83 5.02 -0.30 -3.58 118.16 110.79 2jgd n LYS 348 Ca 0.02 0.04 -0.23 0.00 -2.02 0.00 0.00 58.31 56.12 2jgd n LYS 348 Cb 0.04 -1.68 -0.17 0.00 -0.02 0.00 0.00 35.03 33.20 2jgd n LYS 348 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2jgd s VAL 349 N -3.27 0.48 -0.24 -0.18 1.01 -1.04 -0.43 120.40 116.72 2jgd s VAL 349 Ca 0.02 0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 2jgd s VAL 349 Cb 0.13 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 2jgd s VAL 349 CO 0.79 0.27 0.08 -0.22 0.00 0.00 0.00 175.10 176.02 2jgd s LEU 350 N 1.87 3.56 0.04 3.92 2.96 0.05 -4.95 118.68 126.13 2jgd s LEU 350 Ca 0.04 -0.14 -0.21 0.00 -0.22 0.00 0.00 54.13 53.60 2jgd s LEU 350 Cb -0.12 -1.95 -0.06 0.00 0.50 0.00 0.00 46.19 44.55 2jgd s LEU 350 CO -0.05 -0.01 0.63 -2.16 -1.32 0.00 0.00 176.35 173.44 2jgd s PRO 351 N 1.45 4.34 -0.10 0.98 0.05 -1.26 -1.18 135.00 139.28 2jgd s PRO 351 Ca 0.06 0.83 0.02 0.00 0.05 0.00 0.00 61.00 61.96 2jgd s PRO 351 Cb -0.15 -3.32 0.01 0.00 0.05 0.00 0.00 34.50 31.10 2jgd s PRO 351 CO 0.04 0.43 -0.16 0.42 0.05 0.00 0.00 177.00 177.79 2jgd s ILE 352 N -0.46 1.49 -0.05 0.56 1.01 0.52 -2.24 121.20 122.04 2jgd s ILE 352 Ca 0.32 -0.66 0.05 0.00 0.00 0.00 0.00 60.65 60.37 2jgd s ILE 352 Cb -0.19 -1.35 -0.01 0.00 0.01 0.00 0.00 42.46 40.92 2jgd s ILE 352 CO 0.19 0.44 -0.21 0.42 0.00 0.00 0.00 174.94 175.78 2jgd s THR 353 N 0.81 1.70 -0.15 2.92 -4.23 -0.74 -1.57 115.64 114.38 2jgd s THR 353 Ca -0.10 -0.87 -0.03 0.00 -1.18 0.00 0.00 61.69 59.51 2jgd s THR 353 Cb -0.16 -1.44 -0.02 0.00 1.34 0.00 0.00 72.50 72.22 2jgd s THR 353 CO 0.01 0.48 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.88 2jgd s ILE 354 N -0.08 3.70 0.18 2.99 1.01 0.25 -0.16 121.20 129.09 2jgd s ILE 354 Ca -0.03 -0.43 0.06 0.00 0.00 0.00 0.00 60.65 60.26 2jgd s ILE 354 Cb -0.12 -2.61 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 2jgd s ILE 354 CO 0.03 0.50 -0.13 -1.00 0.00 0.00 0.00 174.94 174.34 2jgd s HIS 355 N 0.33 1.53 0.08 3.97 3.76 0.25 -4.43 115.29 120.78 2jgd s HIS 355 Ca -0.05 -0.64 0.01 0.00 -0.15 0.00 0.00 55.06 54.23 2jgd s HIS 355 Cb -0.15 -0.74 -0.04 0.00 1.11 0.00 0.00 32.58 32.77 2jgd s HIS 355 CO 0.04 0.24 0.20 0.20 -0.85 0.00 0.00 174.74 174.57 2jgd s GLY 356 N -3.19 2.09 0.20 -2.22 0.00 -1.26 0.89 107.32 103.83 2jgd s GLY 356 Ca 0.19 -0.90 -0.14 0.00 0.00 0.00 0.00 44.72 43.87 2jgd s GLY 356 CO 0.04 -0.88 1.65 1.29 0.00 0.00 0.00 173.10 175.20 2jgd h ASP 357 N 2.97 -0.42 -0.22 1.64 2.03 -1.93 -2.70 116.42 117.78 2jgd h ASP 357 Ca -0.46 0.15 -0.08 0.00 -0.73 0.00 0.00 57.03 55.91 2jgd h ASP 357 Cb 1.17 0.31 -0.00 0.00 -0.83 0.00 0.00 39.33 39.97 2jgd h ASP 357 CO 0.73 -0.15 -0.19 0.00 -1.03 0.00 0.00 179.24 178.60 2jgd h ALA 358 N 1.53 0.31 -0.60 4.15 0.00 -1.96 -3.16 119.26 119.54 2jgd h ALA 358 Ca 0.27 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2jgd h ALA 358 Cb 0.42 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2jgd h ALA 358 CO -0.53 0.24 0.38 0.00 0.00 0.00 0.00 179.25 179.34 2jgd h ALA 359 N 0.67 1.55 0.03 0.00 0.00 -1.90 -0.85 119.26 118.76 2jgd h ALA 359 Ca 0.04 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 2jgd h ALA 359 Cb 0.73 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2jgd h ALA 359 CO 0.05 0.41 -0.99 -0.24 0.00 0.00 0.00 179.25 178.47 2jgd h VAL 360 N 0.81 1.55 0.00 0.00 3.04 -1.45 0.22 116.25 120.42 2jgd h VAL 360 Ca 0.22 -2.93 -0.11 0.00 -1.01 0.00 0.00 66.70 62.87 2jgd h VAL 360 Cb -0.07 2.68 -0.02 0.00 -2.01 0.00 0.00 31.29 31.87 2jgd h VAL 360 CO -0.05 0.85 -0.68 0.71 -1.01 0.00 0.00 177.57 177.39 2jgd h THR 361 N 0.07 0.76 0.00 3.17 1.35 -1.52 -3.39 112.91 113.34 2jgd h THR 361 Ca -0.06 -2.12 0.00 0.00 -0.55 0.00 0.00 66.41 63.68 2jgd h THR 361 Cb 1.68 2.32 0.00 0.00 -1.73 0.00 0.00 68.15 70.42 2jgd h THR 361 CO 0.15 0.43 -1.27 0.61 -0.25 0.00 0.00 175.52 175.19 2jgd n GLY 362 N 1.25 -0.78 3.47 5.82 0.00 -0.34 -4.87 105.19 109.75 2jgd n GLY 362 Ca -0.00 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 2jgd n GLY 362 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jgd s GLN 363 N -2.96 3.67 0.00 1.61 -1.52 0.71 -4.99 119.66 116.18 2jgd s GLN 363 Ca 0.01 -0.50 0.28 0.00 -1.95 0.00 0.00 55.36 53.21 2jgd s GLN 363 Cb 0.13 -3.11 1.21 0.00 -0.22 0.00 0.00 33.01 31.03 2jgd s GLN 363 CO 0.76 0.04 1.91 0.41 -0.25 0.00 0.00 175.29 178.16 2jgd n GLY 364 N 4.18 -1.47 0.25 3.09 0.00 -1.26 -2.25 105.19 107.72 2jgd n GLY 364 Ca -0.17 -0.10 0.17 0.00 0.00 0.00 0.00 46.02 45.92 2jgd n GLY 364 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2jgd h VAL 365 N 0.00 0.00 -0.02 1.61 3.04 -1.94 -2.27 116.25 116.67 2jgd h VAL 365 Ca 0.00 -0.32 -0.00 0.00 -1.01 0.00 0.00 66.70 65.37 2jgd h VAL 365 Cb 0.49 1.23 -0.00 0.00 -2.01 0.00 0.00 31.29 31.00 2jgd h VAL 365 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.57 177.14 2jgd h VAL 366 N 0.00 1.19 -0.22 1.51 2.07 -1.73 -0.64 116.25 118.43 2jgd h VAL 366 Ca 0.00 -0.57 0.05 0.00 0.82 0.00 0.00 66.70 66.99 2jgd h VAL 366 Cb 0.35 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 2jgd h VAL 366 CO 0.00 0.15 -0.08 -0.61 0.02 0.00 0.00 177.57 177.05 2jgd h GLN 367 N -0.21 -0.04 -0.92 1.57 4.15 -1.64 -1.18 115.11 116.84 2jgd h GLN 367 Ca 0.01 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.47 2jgd h GLN 367 Cb 0.24 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.89 2jgd h GLN 367 CO 0.00 -0.03 0.59 0.93 -1.93 0.00 0.00 178.83 178.39 2jgd h GLU 368 N -0.04 1.08 -0.36 1.69 5.08 -1.32 0.11 114.58 120.82 2jgd h GLU 368 Ca 0.12 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 2jgd h GLU 368 Cb 0.22 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2jgd h GLU 368 CO -0.26 0.72 -0.25 1.15 -1.00 0.00 0.00 179.01 179.37 2jgd h THR 369 N 1.11 1.29 -0.26 1.13 2.02 -0.78 -0.95 112.91 116.47 2jgd h THR 369 Ca 0.38 -1.40 -0.02 0.00 0.77 0.00 0.00 66.41 66.14 2jgd h THR 369 Cb 0.07 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 2jgd h THR 369 CO -0.14 0.46 0.09 -0.07 0.37 0.00 0.00 175.52 176.23 2jgd h LEU 370 N 0.59 0.38 -0.98 2.58 3.38 -0.51 -1.20 115.31 119.55 2jgd h LEU 370 Ca 0.07 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.89 2jgd h LEU 370 Cb 0.82 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.41 2jgd h LEU 370 CO 0.07 0.48 0.64 -1.13 0.09 0.00 0.00 178.44 178.58 2jgd h ASN 371 N 0.26 1.05 0.59 -0.43 -1.24 -0.59 -3.01 115.58 112.21 2jgd h ASN 371 Ca 0.09 -0.00 -0.28 0.00 0.71 0.00 0.00 56.30 56.81 2jgd h ASN 371 Cb 0.23 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.05 2jgd h ASN 371 CO -0.00 0.71 -1.30 -0.03 -1.29 0.00 0.00 177.43 175.51 2jgd h MET 372 N 1.21 0.28 0.00 6.67 4.05 -0.95 -3.05 114.93 123.15 2jgd h MET 372 Ca 0.40 -0.47 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 2jgd h MET 372 Cb 0.05 0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.03 2jgd h MET 372 CO -0.14 1.21 0.00 -1.13 0.23 0.00 0.00 176.91 177.08 2jgd n SER 373 N -3.52 0.00 0.03 1.39 3.41 -0.47 -0.12 113.62 114.34 2jgd n SER 373 Ca -0.10 -0.02 0.11 0.00 -0.26 0.00 0.00 58.87 58.60 2jgd n SER 373 Cb 1.03 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.98 2jgd n SER 373 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2jgd n LYS 374 N -0.98 0.35 -3.77 4.33 5.02 -1.15 -4.30 118.16 117.66 2jgd n LYS 374 Ca 0.01 -0.01 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 2jgd n LYS 374 Cb 0.00 -1.61 -0.06 0.00 -0.02 0.00 0.00 35.03 33.35 2jgd n LYS 374 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jgd s ALA 375 N -3.24 3.84 0.23 7.82 0.00 0.83 -4.87 121.76 126.37 2jgd s ALA 375 Ca 0.02 -0.56 -0.30 0.00 0.00 0.00 0.00 51.96 51.13 2jgd s ALA 375 Cb 0.14 -2.07 -0.10 0.00 0.00 0.00 0.00 23.12 21.09 2jgd s ALA 375 CO 0.81 0.62 1.42 -0.98 0.00 0.00 0.00 175.76 177.64 2jgd s ARG 376 N -1.47 4.29 0.00 0.00 3.03 -1.26 -1.22 118.95 122.32 2jgd s ARG 376 Ca 0.23 2.25 0.00 0.00 2.03 0.00 0.00 55.73 60.25 2jgd s ARG 376 Cb -0.13 -3.13 0.00 0.00 -1.03 0.00 0.00 34.95 30.66 2jgd s ARG 376 CO 0.12 -0.40 0.00 0.41 -1.13 0.00 0.00 175.30 174.30 2jgd n GLY 377 N 2.35 0.61 0.00 3.88 0.00 -1.26 -4.83 105.19 105.94 2jgd n GLY 377 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2jgd n GLY 377 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jgd n TYR 378 N -2.00 0.00 -1.81 1.61 4.02 -0.35 -5.08 117.16 113.55 2jgd n TYR 378 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.51 2jgd n TYR 378 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.36 2jgd n TYR 378 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 2jgd s GLU 379 N -0.75 3.04 -0.03 -0.72 -1.05 -0.55 -4.79 118.70 113.85 2jgd s GLU 379 Ca 0.00 2.16 0.07 0.00 -0.15 0.00 0.00 54.97 57.05 2jgd s GLU 379 Cb 0.00 -2.16 0.11 0.00 -0.44 0.00 0.00 34.13 31.64 2jgd s GLU 379 CO 0.00 -1.25 1.05 1.33 0.95 0.00 0.00 175.26 177.35 2jgd n VAL 380 N -1.21 0.47 -2.02 1.83 0.24 -1.26 -4.91 118.33 111.47 2jgd n VAL 380 Ca 0.11 -0.67 -0.07 0.00 -2.04 0.00 0.00 64.34 61.67 2jgd n VAL 380 Cb 0.46 0.36 -0.01 0.00 -1.47 0.00 0.00 33.84 33.19 2jgd n VAL 380 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jgd n GLY 381 N -0.30 0.18 0.00 7.63 0.00 -1.26 -4.85 105.19 106.59 2jgd n GLY 381 Ca 0.05 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2jgd n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgd n GLY 382 N -1.14 -1.39 3.56 -0.02 0.00 -1.24 -3.70 105.19 101.25 2jgd n GLY 382 Ca -0.08 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.21 2jgd n GLY 382 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jgd s THR 383 N -3.11 3.52 -0.36 2.61 2.01 -1.26 -4.60 115.64 114.44 2jgd s THR 383 Ca 0.00 -0.66 -0.24 0.00 0.31 0.00 0.00 61.69 61.10 2jgd s THR 383 Cb 0.00 -2.46 0.01 0.00 0.01 0.00 0.00 72.50 70.06 2jgd s THR 383 CO 0.00 0.51 0.81 -0.69 -0.69 0.00 0.00 174.62 174.56 2jgd s VAL 384 N -0.87 4.71 -0.27 3.82 1.01 -0.95 -1.96 120.40 125.89 2jgd s VAL 384 Ca 0.14 0.94 -0.08 0.00 0.00 0.00 0.00 61.98 62.99 2jgd s VAL 384 Cb -0.11 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 2jgd s VAL 384 CO 0.04 -0.45 0.09 -0.13 0.00 0.00 0.00 175.10 174.64 2jgd s ARG 385 N 3.17 3.45 -0.21 2.72 0.52 -0.13 -1.79 118.95 126.68 2jgd s ARG 385 Ca 0.33 -0.62 -0.09 0.00 -0.52 0.00 0.00 55.73 54.83 2jgd s ARG 385 Cb -0.13 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 31.91 2jgd s ARG 385 CO 0.17 -0.30 0.10 0.42 0.02 0.00 0.00 175.30 175.71 2jgd s ILE 386 N 1.59 4.94 -0.24 1.52 1.01 0.78 -0.23 121.20 130.57 2jgd s ILE 386 Ca 0.05 0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.68 2jgd s ILE 386 Cb -0.16 -3.27 -0.02 0.00 0.01 0.00 0.00 42.46 39.03 2jgd s ILE 386 CO 0.04 0.40 0.01 -0.69 0.00 0.00 0.00 174.94 174.70 2jgd s VAL 387 N 0.81 3.78 -0.75 2.92 1.01 -0.32 0.88 120.40 128.72 2jgd s VAL 387 Ca 0.05 -0.37 -0.20 0.00 0.00 0.00 0.00 61.98 61.46 2jgd s VAL 387 Cb -0.13 -2.75 0.11 0.00 0.00 0.00 0.00 36.38 33.60 2jgd s VAL 387 CO 0.02 0.37 0.94 -0.63 0.00 0.00 0.00 175.10 175.81 2jgd s ILE 388 N 1.54 4.67 -0.55 2.22 1.01 0.26 -0.93 121.20 129.40 2jgd s ILE 388 Ca 0.06 -1.07 -0.21 0.00 0.00 0.00 0.00 60.65 59.42 2jgd s ILE 388 Cb -0.15 -4.66 0.06 0.00 0.01 0.00 0.00 42.46 37.72 2jgd s ILE 388 CO -0.00 -1.37 0.80 0.21 0.00 0.00 0.00 174.94 174.58 2jgd s ASN 389 N 3.57 6.26 0.00 3.58 3.84 0.05 -3.48 114.94 128.75 2jgd s ASN 389 Ca 0.23 -0.76 0.00 0.00 0.21 0.00 0.00 52.86 52.54 2jgd s ASN 389 Cb -0.14 -2.37 0.00 0.00 -0.55 0.00 0.00 41.25 38.19 2jgd s ASN 389 CO 0.01 -1.12 0.00 0.59 -2.79 0.00 0.00 177.10 173.79 2jgd n ASN 390 N 6.90 0.00 0.10 -4.21 3.02 -1.26 -1.33 115.26 118.47 2jgd n ASN 390 Ca -0.03 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.51 2jgd n ASN 390 Cb 0.46 -0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 39.32 2jgd n ASN 390 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2jgd h GLN 391 N 0.00 0.00 0.00 3.52 1.08 -1.90 -3.46 115.11 114.35 2jgd h GLN 391 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2jgd h GLN 391 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2jgd h GLN 391 CO 0.00 0.56 0.00 0.98 -0.95 0.00 0.00 178.83 179.42 2jgd n TYR 407 N -3.18 0.00 0.10 2.96 4.19 -1.26 -5.17 117.16 114.81 2jgd n TYR 407 Ca -0.01 0.00 -0.03 0.00 3.31 0.00 0.00 57.90 61.16 2jgd n TYR 407 Cb 0.81 0.00 0.03 0.00 0.49 0.00 0.00 39.34 40.67 2jgd n TYR 407 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2jgd n THR 409 N -3.53 0.07 1.03 0.00 -2.24 -1.26 -4.07 114.28 104.27 2jgd n THR 409 Ca -0.00 -0.04 0.13 0.00 -2.27 0.00 0.00 64.05 61.87 2jgd n THR 409 Cb 0.77 -0.29 0.42 0.00 -2.10 0.00 0.00 70.33 69.13 2jgd n THR 409 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2jgd n ASP 410 N -0.16 0.32 0.22 3.42 9.92 -1.22 -2.13 116.55 126.92 2jgd n ASP 410 Ca 0.01 0.00 0.07 0.00 -0.53 0.00 0.00 54.79 54.34 2jgd n ASP 410 Cb 0.18 -0.06 0.52 0.00 -0.64 0.00 0.00 41.12 41.11 2jgd n ASP 410 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 2jgd h ILE 411 N 0.06 0.96 0.00 0.53 6.09 -1.86 -3.14 117.51 120.16 2jgd h ILE 411 Ca 0.00 -0.87 0.00 0.00 -1.37 0.00 0.00 64.86 62.62 2jgd h ILE 411 Cb 0.49 1.50 0.00 0.00 0.47 0.00 0.00 36.82 39.28 2jgd h ILE 411 CO 0.00 0.23 0.00 0.61 -3.07 0.00 0.00 178.15 175.92 2jgd n GLY 412 N -0.63 0.92 0.00 8.18 0.00 -0.90 -1.15 105.19 111.61 2jgd n GLY 412 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2jgd n GLY 412 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jgd n LYS 413 N 0.23 5.58 -0.27 1.61 4.01 -1.18 -2.07 118.16 126.07 2jgd n LYS 413 Ca 0.00 0.00 -0.05 0.00 -0.51 0.00 0.00 58.31 57.75 2jgd n LYS 413 Cb 0.16 -0.55 0.06 0.00 -0.51 0.00 0.00 35.03 34.19 2jgd n LYS 413 CO 0.00 0.00 0.00 1.98 -1.11 0.00 0.00 177.40 178.27 2jgd h MET 414 N 0.00 1.03 0.00 1.97 -1.53 -1.33 -3.39 114.93 111.68 2jgd h MET 414 Ca 0.00 -0.11 0.00 0.00 -3.44 0.00 0.00 59.70 56.15 2jgd h MET 414 Cb 0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 31.60 30.85 2jgd h MET 414 CO 0.00 0.76 0.00 1.33 0.14 0.00 0.00 176.91 179.14 2jgd n VAL 415 N -4.47 0.00 -3.42 -5.77 0.24 -1.25 -5.11 118.33 98.54 2jgd n VAL 415 Ca 0.07 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.11 2jgd n VAL 415 Cb 0.08 -1.79 -0.11 0.00 -1.47 0.00 0.00 33.84 30.56 2jgd n VAL 415 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jgd s GLN 416 N 0.56 0.61 0.09 7.34 -2.07 -1.25 -4.86 119.66 120.07 2jgd s GLN 416 Ca 0.00 -1.31 0.10 0.00 -1.82 0.00 0.00 55.36 52.34 2jgd s GLN 416 Cb 0.00 -1.17 -0.04 0.00 -1.09 0.00 0.00 33.01 30.71 2jgd s GLN 416 CO 0.00 -1.23 -0.27 0.00 -1.32 0.00 0.00 175.29 172.47 2jgd s ALA 417 N 1.04 2.33 0.37 2.60 0.00 -0.88 -4.85 121.76 122.38 2jgd s ALA 417 Ca 0.19 -1.39 -0.28 0.00 0.00 0.00 0.00 51.96 50.49 2jgd s ALA 417 Cb -0.18 -0.42 -0.11 0.00 0.00 0.00 0.00 23.12 22.40 2jgd s ALA 417 CO -0.02 0.54 1.42 -0.35 0.00 0.00 0.00 175.76 177.35 2jgd n PRO 418 N 1.28 2.46 -4.05 0.00 -0.04 -1.26 -4.88 135.00 128.50 2jgd n PRO 418 Ca -0.18 0.86 -0.32 0.00 -0.04 0.00 0.00 63.50 63.83 2jgd n PRO 418 Cb 0.53 -2.56 -0.16 0.00 -0.04 0.00 0.00 33.50 31.27 2jgd n PRO 418 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2jgd s ILE 419 N -1.12 1.89 -0.37 0.52 1.01 -1.17 -1.97 121.20 119.99 2jgd s ILE 419 Ca 0.55 -1.10 -0.12 0.00 0.00 0.00 0.00 60.65 59.98 2jgd s ILE 419 Cb -0.50 -1.87 0.02 0.00 0.01 0.00 0.00 42.46 40.11 2jgd s ILE 419 CO 0.63 0.27 0.23 -0.36 0.00 0.00 0.00 174.94 175.70 2jgd s PHE 420 N 1.30 3.23 0.04 3.97 0.08 -0.09 -2.32 117.98 124.20 2jgd s PHE 420 Ca -0.01 -0.73 -0.19 0.00 0.12 0.00 0.00 56.93 56.12 2jgd s PHE 420 Cb -0.16 -2.48 -0.06 0.00 -0.57 0.00 0.00 43.02 39.76 2jgd s PHE 420 CO -0.09 -0.58 0.54 -1.01 -0.10 0.00 0.00 175.22 173.98 2jgd s HIS 421 N 1.61 3.76 -0.01 0.36 3.76 -0.83 0.13 115.29 124.08 2jgd s HIS 421 Ca 0.04 1.20 -0.16 0.00 -0.15 0.00 0.00 55.06 55.99 2jgd s HIS 421 Cb -0.19 -2.49 0.03 0.00 1.11 0.00 0.00 32.58 31.04 2jgd s HIS 421 CO 0.08 0.54 0.33 0.54 -0.85 0.00 0.00 174.74 175.38 2jgd s VAL 422 N -0.87 0.06 -0.40 -0.90 0.11 -0.27 -0.89 120.40 117.23 2jgd s VAL 422 Ca 0.28 -0.48 -0.26 0.00 -2.93 0.00 0.00 61.98 58.60 2jgd s VAL 422 Cb -0.19 -0.69 0.02 0.00 -1.53 0.00 0.00 36.38 33.99 2jgd s VAL 422 CO 0.17 -0.26 0.93 0.21 -3.33 0.00 0.00 175.10 172.83 2jgd s ASN 423 N -1.44 6.62 0.41 3.54 3.84 -0.97 -0.98 114.94 125.96 2jgd s ASN 423 Ca -0.12 0.44 0.21 0.00 0.21 0.00 0.00 52.86 53.59 2jgd s ASN 423 Cb -0.04 -2.46 1.13 0.00 -0.55 0.00 0.00 41.25 39.32 2jgd s ASN 423 CO 0.03 -0.93 1.59 0.00 -2.79 0.00 0.00 177.10 175.00 2jgd h ALA 424 N 8.69 1.15 -0.00 1.71 0.00 -1.55 -1.08 119.26 128.19 2jgd h ALA 424 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2jgd h ALA 424 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2jgd h ALA 424 CO 1.00 -0.15 -0.15 -0.25 0.00 0.00 0.00 179.25 179.70 2jgd n ASP 425 N -2.33 0.27 -4.11 0.00 8.00 -1.26 -4.44 116.55 112.68 2jgd n ASP 425 Ca -0.01 -0.08 -0.36 0.00 0.71 0.00 0.00 54.79 55.04 2jgd n ASP 425 Cb 0.23 -0.17 -0.11 0.00 -0.02 0.00 0.00 41.12 41.05 2jgd n ASP 425 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jgd s ASP 426 N -2.79 5.24 0.26 -2.24 -1.08 -0.41 -4.82 116.67 110.83 2jgd s ASP 426 Ca 0.19 -2.29 -0.03 0.00 -0.52 0.00 0.00 52.55 49.91 2jgd s ASP 426 Cb 0.19 -1.84 0.32 0.00 -1.46 0.00 0.00 42.92 40.13 2jgd s ASP 426 CO 0.54 -0.49 1.78 1.55 0.52 0.00 0.00 175.17 179.08 2jgd h PRO 427 N 7.73 0.90 -0.28 4.34 0.13 -1.84 -0.38 132.00 142.60 2jgd h PRO 427 Ca -0.10 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2jgd h PRO 427 Cb 1.02 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 2jgd h PRO 427 CO 0.71 0.82 0.17 0.93 -0.23 0.00 0.00 178.00 180.40 2jgd h GLU 428 N 0.86 0.37 -0.20 0.86 5.08 -1.96 0.52 114.58 120.10 2jgd h GLU 428 Ca 0.18 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 2jgd h GLU 428 Cb 0.35 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2jgd h GLU 428 CO 0.00 0.27 -0.01 0.00 -1.00 0.00 0.00 179.01 178.28 2jgd h ALA 429 N 1.08 1.63 -0.24 3.43 0.00 -1.85 -1.70 119.26 121.61 2jgd h ALA 429 Ca 0.10 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2jgd h ALA 429 Cb -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2jgd h ALA 429 CO -0.02 0.28 -0.15 0.28 0.00 0.00 0.00 179.25 179.64 2jgd h VAL 430 N 0.28 1.31 -0.59 0.00 2.07 0.61 -1.61 116.25 118.31 2jgd h VAL 430 Ca 0.07 -1.26 0.07 0.00 0.82 0.00 0.00 66.70 66.40 2jgd h VAL 430 Cb 0.20 1.61 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 2jgd h VAL 430 CO 0.00 0.39 0.28 0.00 0.02 0.00 0.00 177.57 178.27 2jgd h ALA 431 N 0.70 0.78 -0.11 1.67 0.00 0.26 -0.70 119.26 121.87 2jgd h ALA 431 Ca 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2jgd h ALA 431 Cb 0.67 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2jgd h ALA 431 CO 0.04 -0.09 0.02 0.35 0.00 0.00 0.00 179.25 179.57 2jgd h PHE 432 N 0.52 0.19 -0.42 0.00 3.57 -1.10 -1.93 116.94 117.77 2jgd h PHE 432 Ca 0.28 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.72 2jgd h PHE 432 Cb 0.25 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2jgd h PHE 432 CO -0.12 0.37 0.12 0.28 -2.23 0.00 0.00 178.31 176.74 2jgd h VAL 433 N -0.04 1.18 0.42 1.41 2.07 -1.08 -1.11 116.25 119.09 2jgd h VAL 433 Ca 0.03 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 2jgd h VAL 433 Cb 0.28 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2jgd h VAL 433 CO 0.00 0.22 -0.38 0.74 0.02 0.00 0.00 177.57 178.18 2jgd h THR 434 N 0.60 0.23 -0.33 2.57 2.02 -0.41 0.19 112.91 117.77 2jgd h THR 434 Ca 0.14 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.38 2jgd h THR 434 Cb 0.19 0.23 -0.06 0.00 -1.74 0.00 0.00 68.15 66.77 2jgd h THR 434 CO -0.01 0.00 -0.02 0.03 0.37 0.00 0.00 175.52 175.89 2jgd h ARG 435 N -0.81 0.06 -0.28 6.66 3.08 -1.12 -0.26 114.38 121.72 2jgd h ARG 435 Ca -0.04 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.08 2jgd h ARG 435 Cb 0.71 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.67 2jgd h ARG 435 CO -0.04 0.04 -0.24 1.25 -1.07 0.00 0.00 179.97 179.91 2jgd h LEU 436 N 0.07 -0.78 -0.60 3.04 5.85 -0.88 0.55 115.31 122.56 2jgd h LEU 436 Ca 0.16 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 59.00 2jgd h LEU 436 Cb 0.23 0.37 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 2jgd h LEU 436 CO -0.29 -0.27 0.29 0.00 -0.34 0.00 0.00 178.44 177.83 2jgd h ALA 437 N 0.86 0.77 0.07 1.25 0.00 -0.13 -0.68 119.26 121.39 2jgd h ALA 437 Ca 0.15 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jgd h ALA 437 Cb 0.46 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2jgd h ALA 437 CO -0.41 0.33 -0.03 1.25 0.00 0.00 0.00 179.25 180.39 2jgd h LEU 438 N 0.81 -0.07 -0.89 0.00 5.85 -0.43 -1.45 115.31 119.13 2jgd h LEU 438 Ca 0.21 -0.29 0.17 0.00 0.84 0.00 0.00 57.88 58.81 2jgd h LEU 438 Cb 0.11 0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.06 2jgd h LEU 438 CO -0.03 0.26 0.47 0.44 -0.34 0.00 0.00 178.44 179.24 2jgd h ASP 439 N -0.41 0.54 -0.42 1.25 3.32 0.17 -0.41 116.42 120.45 2jgd h ASP 439 Ca -0.01 0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 2jgd h ASP 439 Cb 0.36 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 2jgd h ASP 439 CO 0.01 0.18 0.08 0.15 -1.72 0.00 0.00 179.24 177.95 2jgd h PHE 440 N 0.60 0.73 -0.24 4.55 3.57 -0.81 0.32 116.94 125.67 2jgd h PHE 440 Ca 0.51 -0.10 -0.14 0.00 3.53 0.00 0.00 57.97 61.78 2jgd h PHE 440 Cb 0.81 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 2jgd h PHE 440 CO -0.08 0.70 -0.38 -0.09 -2.23 0.00 0.00 178.31 176.22 2jgd h ARG 441 N 0.55 0.68 -0.08 1.11 1.12 -0.18 -0.03 114.38 117.54 2jgd h ARG 441 Ca 0.13 -0.41 -0.04 0.00 -1.11 0.00 0.00 59.98 58.55 2jgd h ARG 441 Cb 0.35 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.34 2jgd h ARG 441 CO 0.01 1.03 -0.13 -0.91 -3.11 0.00 0.00 179.97 176.85 2jgd h ASN 442 N 0.39 0.12 0.00 -3.80 2.35 -1.07 0.31 115.58 113.88 2jgd h ASN 442 Ca 0.02 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2jgd h ASN 442 Cb 0.98 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.32 2jgd h ASN 442 CO 0.09 0.27 -0.00 0.74 -1.65 0.00 0.00 177.43 176.88 2jgd h THR 443 N 0.12 1.65 -0.01 2.81 2.02 -0.74 -3.41 112.91 115.35 2jgd h THR 443 Ca 0.03 -1.99 0.00 0.00 0.77 0.00 0.00 66.41 65.21 2jgd h THR 443 Cb 0.31 2.99 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 2jgd h THR 443 CO 0.02 0.51 -0.09 0.49 0.37 0.00 0.00 175.52 176.82 2jgd n PHE 444 N -4.68 0.00 -3.00 3.16 3.72 -0.04 -5.00 117.46 111.61 2jgd n PHE 444 Ca -0.09 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.13 2jgd n PHE 444 Cb 0.41 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.99 2jgd n PHE 444 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2jgd n LYS 445 N 0.36 -4.53 -4.26 -1.08 4.01 0.11 -4.97 118.16 107.79 2jgd n LYS 445 Ca 0.06 0.69 -0.19 0.00 -0.51 0.00 0.00 58.31 58.37 2jgd n LYS 445 Cb 0.29 -5.14 -0.13 0.00 -0.51 0.00 0.00 35.03 29.55 2jgd n LYS 445 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2jgd s ARG 446 N -5.61 0.83 0.23 1.97 0.52 -1.24 -3.72 118.95 111.92 2jgd s ARG 446 Ca 0.30 -0.77 -0.31 0.00 -0.52 0.00 0.00 55.73 54.42 2jgd s ARG 446 Cb -0.13 -0.81 -0.14 0.00 0.52 0.00 0.00 34.95 34.39 2jgd s ARG 446 CO 0.37 0.19 1.35 -0.25 0.02 0.00 0.00 175.30 176.99 2jgd n ASP 447 N 1.76 2.45 -4.25 0.23 10.43 -1.26 -4.37 116.55 121.53 2jgd n ASP 447 Ca -0.19 1.14 -0.21 0.00 2.57 0.00 0.00 54.79 58.10 2jgd n ASP 447 Cb 0.55 -1.39 -0.12 0.00 1.84 0.00 0.00 41.12 42.00 2jgd n ASP 447 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2jgd s VAL 448 N -0.13 1.51 -0.12 2.53 0.11 -0.83 -4.46 120.40 119.01 2jgd s VAL 448 Ca 0.69 -1.54 0.01 0.00 -2.93 0.00 0.00 61.98 58.21 2jgd s VAL 448 Cb -0.69 -1.45 -0.01 0.00 -1.53 0.00 0.00 36.38 32.71 2jgd s VAL 448 CO 0.51 -0.18 -0.17 -0.36 -3.33 0.00 0.00 175.10 171.57 2jgd s PHE 449 N -1.41 2.72 -0.36 1.54 0.40 -0.83 -0.96 117.98 119.08 2jgd s PHE 449 Ca 0.05 -0.86 -0.07 0.00 -0.60 0.00 0.00 56.93 55.46 2jgd s PHE 449 Cb -0.09 -1.80 0.05 0.00 0.51 0.00 0.00 43.02 41.69 2jgd s PHE 449 CO 0.04 -0.33 0.14 0.42 0.70 0.00 0.00 175.22 176.19 2jgd s ILE 450 N 0.42 3.87 -0.81 0.64 1.01 0.68 -0.91 121.20 126.11 2jgd s ILE 450 Ca -0.13 -1.22 -0.23 0.00 0.00 0.00 0.00 60.65 59.08 2jgd s ILE 450 Cb -0.17 -3.25 0.07 0.00 0.01 0.00 0.00 42.46 39.13 2jgd s ILE 450 CO 0.06 -0.27 1.17 -0.62 0.00 0.00 0.00 174.94 175.28 2jgd s ASP 451 N 1.56 6.33 -0.64 3.58 2.15 0.12 -1.18 116.67 128.59 2jgd s ASP 451 Ca -0.00 -1.17 -0.25 0.00 0.43 0.00 0.00 52.55 51.56 2jgd s ASP 451 Cb -0.20 -2.48 0.04 0.00 -0.30 0.00 0.00 42.92 39.98 2jgd s ASP 451 CO 0.02 -1.47 1.09 -0.22 -0.17 0.00 0.00 175.17 174.42 2jgd s LEU 452 N 4.37 3.79 -0.30 -1.34 2.96 -0.11 -1.12 118.68 126.93 2jgd s LEU 452 Ca 0.32 -0.47 -0.19 0.00 -0.22 0.00 0.00 54.13 53.57 2jgd s LEU 452 Cb -0.09 -2.70 -0.01 0.00 0.50 0.00 0.00 46.19 43.89 2jgd s LEU 452 CO 0.03 -1.51 0.58 -0.69 -1.32 0.00 0.00 176.35 173.45 2jgd s VAL 453 N 4.67 4.98 0.00 1.68 1.01 -0.16 -0.77 120.40 131.81 2jgd s VAL 453 Ca 0.32 0.77 0.00 0.00 0.00 0.00 0.00 61.98 63.07 2jgd s VAL 453 Cb -0.11 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.31 2jgd s VAL 453 CO 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 175.10 175.16 2jgd s TYR 455 N -1.45 0.88 -0.39 0.00 -0.85 -1.22 -4.45 117.35 109.87 2jgd s TYR 455 Ca 0.00 -1.13 -0.12 0.00 -0.52 0.00 0.00 57.07 55.30 2jgd s TYR 455 Cb 0.00 -0.13 0.03 0.00 0.38 0.00 0.00 41.96 42.24 2jgd s TYR 455 CO 0.00 -0.96 0.24 1.03 -1.52 0.00 0.00 175.55 174.34 2jgd s ARG 456 N -3.67 2.82 0.53 -3.49 0.52 -1.26 -3.10 118.95 111.31 2jgd s ARG 456 Ca 0.30 -1.12 0.21 0.00 -0.52 0.00 0.00 55.73 54.60 2jgd s ARG 456 Cb 0.01 -3.80 1.38 0.00 0.52 0.00 0.00 34.95 33.07 2jgd s ARG 456 CO 0.15 -0.75 2.11 -0.09 0.02 0.00 0.00 175.30 176.73 2jgd h ARG 457 N 8.48 0.00 -3.15 3.54 2.43 -1.65 -3.44 114.38 120.59 2jgd h ARG 457 Ca -0.25 0.00 -0.66 0.00 -0.81 0.00 0.00 59.98 58.26 2jgd h ARG 457 Cb 1.10 0.00 -0.39 0.00 -0.42 0.00 0.00 29.97 30.26 2jgd h ARG 457 CO 0.70 0.00 -0.36 0.72 -1.51 0.00 0.00 179.97 179.52 2jgd n HIS 458 N -4.37 3.68 -2.06 2.20 8.25 -1.26 -4.98 115.22 116.67 2jgd n HIS 458 Ca 0.01 -4.23 -0.06 0.00 -0.26 0.00 0.00 57.72 53.19 2jgd n HIS 458 Cb 0.27 -0.84 -0.01 0.00 1.12 0.00 0.00 29.99 30.53 2jgd n HIS 458 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2jgd n GLN 470 N 2.05 -2.16 -0.21 -0.41 -0.06 -1.26 -5.12 117.38 110.21 2jgd n GLN 470 Ca 0.21 0.31 0.05 0.00 -2.00 0.00 0.00 57.00 55.56 2jgd n GLN 470 Cb 0.36 -4.72 0.15 0.00 -4.06 0.00 0.00 30.24 21.97 2jgd n GLN 470 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 2jgd n PRO 471 N -2.25 1.93 0.07 3.69 -0.04 -1.26 -4.07 135.00 133.07 2jgd n PRO 471 Ca -0.07 -1.20 -0.06 0.00 -0.04 0.00 0.00 63.50 62.13 2jgd n PRO 471 Cb 0.44 -1.36 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 2jgd n PRO 471 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2jgd h LEU 472 N 1.86 0.00 0.00 1.53 3.38 -2.06 -3.24 115.31 116.78 2jgd h LEU 472 Ca 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 2jgd h LEU 472 Cb 0.57 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 2jgd h LEU 472 CO 0.04 0.93 -2.05 1.15 0.09 0.00 0.00 178.44 178.60 2jgd n MET 473 N -3.31 0.66 -0.27 1.13 0.00 -1.26 -3.39 117.12 110.68 2jgd n MET 473 Ca -0.01 0.13 0.09 0.00 0.00 0.00 0.00 57.70 57.91 2jgd n MET 473 Cb 0.92 -1.65 0.22 0.00 0.00 0.00 0.00 33.22 32.71 2jgd n MET 473 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 2jgd h TYR 474 N 0.00 0.24 -0.47 3.17 5.03 -1.71 0.84 116.97 124.08 2jgd h TYR 474 Ca -0.41 0.05 -0.06 0.00 2.58 0.00 0.00 58.73 60.89 2jgd h TYR 474 Cb 2.10 0.02 -0.02 0.00 1.55 0.00 0.00 36.73 40.38 2jgd h TYR 474 CO 0.00 -0.18 0.03 0.37 -1.32 0.00 0.00 178.16 177.07 2jgd h GLN 475 N 0.21 0.75 -0.22 1.82 5.75 -1.67 -2.02 115.11 119.72 2jgd h GLN 475 Ca 0.48 -0.18 0.03 0.00 -0.15 0.00 0.00 58.65 58.83 2jgd h GLN 475 Cb 0.89 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.31 2jgd h GLN 475 CO -0.61 0.74 0.01 0.87 -2.65 0.00 0.00 178.83 177.19 2jgd h LYS 476 N 0.71 0.09 -0.65 1.69 6.56 0.13 -3.12 116.57 121.96 2jgd h LYS 476 Ca 0.15 -0.01 -0.07 0.00 -1.06 0.00 0.00 60.65 59.66 2jgd h LYS 476 Cb 0.39 -0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 32.00 2jgd h LYS 476 CO 0.01 0.06 0.12 0.82 -2.06 0.00 0.00 179.45 178.40 2jgd h ILE 477 N 0.09 1.26 -0.37 1.86 2.04 0.74 -2.86 117.51 120.27 2jgd h ILE 477 Ca 0.10 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 2jgd h ILE 477 Cb 0.12 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 2jgd h ILE 477 CO -0.17 0.38 0.19 0.50 0.00 0.00 0.00 178.15 179.05 2jgd h LYS 478 N 0.99 0.52 0.00 2.37 3.64 -1.36 -1.71 116.57 121.01 2jgd h LYS 478 Ca 0.20 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2jgd h LYS 478 Cb 0.41 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2jgd h LYS 478 CO 0.01 0.45 0.00 1.63 -2.27 0.00 0.00 179.45 179.27 2jgd n LYS 479 N -4.74 0.17 -3.05 1.90 5.02 -1.18 -4.77 118.16 111.51 2jgd n LYS 479 Ca -0.00 0.13 -0.40 0.00 -2.02 0.00 0.00 58.31 56.01 2jgd n LYS 479 Cb 0.10 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.56 2jgd n LYS 479 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2jgd s HIS 480 N -2.73 3.49 0.55 2.13 2.46 -0.65 -5.05 115.29 115.49 2jgd s HIS 480 Ca 0.15 1.13 -0.21 0.00 0.47 0.00 0.00 55.06 56.61 2jgd s HIS 480 Cb 0.13 -2.83 -0.05 0.00 -0.13 0.00 0.00 32.58 29.71 2jgd s HIS 480 CO 0.32 -0.04 1.29 -1.25 -2.47 0.00 0.00 174.74 172.59 2jgd s PRO 481 N 1.36 3.14 0.74 2.88 0.04 -1.26 -4.99 135.00 136.92 2jgd s PRO 481 Ca 0.34 2.07 -0.11 0.00 0.04 0.00 0.00 61.00 63.35 2jgd s PRO 481 Cb -0.17 -2.18 0.04 0.00 0.04 0.00 0.00 34.50 32.23 2jgd s PRO 481 CO 0.14 -1.14 1.08 0.95 0.04 0.00 0.00 177.00 178.07 2jgd s THR 482 N -1.40 3.60 0.15 1.26 -4.23 -1.26 -4.78 115.64 108.98 2jgd s THR 482 Ca 0.73 0.52 -0.17 0.00 -1.18 0.00 0.00 61.69 61.59 2jgd s THR 482 Cb -0.37 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.25 2jgd s THR 482 CO 0.42 -0.68 1.76 -0.65 -0.54 0.00 0.00 174.62 174.93 2jgd h PRO 483 N -0.91 0.28 -0.54 3.99 0.11 -1.94 0.17 132.00 133.17 2jgd h PRO 483 Ca -0.45 -0.02 0.11 0.00 0.11 0.00 0.00 66.00 65.75 2jgd h PRO 483 Cb 1.23 -0.06 -0.11 0.00 0.11 0.00 0.00 31.00 32.17 2jgd h PRO 483 CO 0.57 0.19 -0.22 -0.09 -0.21 0.00 0.00 178.00 178.23 2jgd h ARG 484 N 0.29 -0.09 -0.41 1.05 2.43 -1.94 -1.13 114.38 114.58 2jgd h ARG 484 Ca 0.14 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 2jgd h ARG 484 Cb 0.09 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 2jgd h ARG 484 CO -0.12 -0.06 0.13 -0.22 -1.51 0.00 0.00 179.97 178.19 2jgd h LYS 485 N -0.10 0.63 -0.94 0.20 1.63 -1.49 -0.45 116.57 116.06 2jgd h LYS 485 Ca 0.25 -0.13 0.01 0.00 -0.85 0.00 0.00 60.65 59.92 2jgd h LYS 485 Cb 0.48 -0.09 -0.05 0.00 -0.60 0.00 0.00 32.23 31.97 2jgd h LYS 485 CO -0.60 0.62 0.61 0.82 -3.45 0.00 0.00 179.45 177.45 2jgd h ILE 486 N 0.52 1.25 0.01 2.00 2.04 -0.33 -1.79 117.51 121.20 2jgd h ILE 486 Ca 0.13 -0.47 -0.08 0.00 1.00 0.00 0.00 64.86 65.44 2jgd h ILE 486 Cb 0.25 -0.13 0.01 0.00 -0.74 0.00 0.00 36.82 36.21 2jgd h ILE 486 CO -0.01 0.24 -0.34 0.22 0.00 0.00 0.00 178.15 178.27 2jgd h TYR 487 N 1.28 0.32 -0.84 1.37 -0.00 -0.86 -2.69 116.97 115.55 2jgd h TYR 487 Ca 0.34 -0.18 0.07 0.00 -0.00 0.00 0.00 58.73 58.97 2jgd h TYR 487 Cb -0.13 -0.03 -0.06 0.00 -0.00 0.00 0.00 36.73 36.52 2jgd h TYR 487 CO 0.00 1.01 0.55 0.00 -0.00 0.00 0.00 178.16 179.72 2jgd h ALA 488 N 0.23 1.61 -0.60 1.82 0.00 -1.05 0.96 119.26 122.23 2jgd h ALA 488 Ca -0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2jgd h ALA 488 Cb 1.11 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2jgd h ALA 488 CO 0.07 0.25 0.36 -0.44 0.00 0.00 0.00 179.25 179.49 2jgd h ASP 489 N 0.90 0.73 -0.13 0.00 3.32 -1.33 -1.99 116.42 117.92 2jgd h ASP 489 Ca 0.37 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 2jgd h ASP 489 Cb 0.27 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2jgd h ASP 489 CO -0.14 0.58 0.03 0.50 -1.72 0.00 0.00 179.24 178.49 2jgd h LYS 490 N 0.81 0.21 0.00 3.56 3.64 -0.91 -1.79 116.57 122.09 2jgd h LYS 490 Ca 0.22 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2jgd h LYS 490 Cb -0.01 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 2jgd h LYS 490 CO -0.04 0.38 0.00 1.28 -2.27 0.00 0.00 179.45 178.80 2jgd n LEU 491 N -4.84 0.51 0.06 5.20 4.77 0.22 -1.53 117.00 121.40 2jgd n LEU 491 Ca -0.05 0.70 -0.21 0.00 -0.03 0.00 0.00 56.01 56.41 2jgd n LEU 491 Cb 0.16 -0.71 -0.15 0.00 -2.33 0.00 0.00 43.42 40.40 2jgd n LEU 491 CO 0.35 -0.76 -0.53 -0.08 -1.33 0.00 0.00 177.39 175.04 2jgd h GLU 492 N 0.00 0.34 -0.98 3.23 4.81 -0.88 0.33 114.58 121.43 2jgd h GLU 492 Ca 0.00 -0.59 -0.10 0.00 -0.13 0.00 0.00 59.36 58.55 2jgd h GLU 492 Cb 0.12 0.22 -0.06 0.00 0.63 0.00 0.00 28.75 29.66 2jgd h GLU 492 CO 0.00 1.25 0.12 1.04 -0.73 0.00 0.00 179.01 180.69 2jgd n GLN 493 N -3.54 1.42 0.00 1.92 3.00 -0.58 -2.07 117.38 117.53 2jgd n GLN 493 Ca -0.24 -0.71 0.00 0.00 -0.01 0.00 0.00 57.00 56.04 2jgd n GLN 493 Cb 1.07 -1.36 0.00 0.00 0.00 0.00 0.00 30.24 29.95 2jgd n GLN 493 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2jgd n GLU 494 N 0.12 -0.06 -3.44 -1.09 1.02 -0.90 -5.00 120.64 111.30 2jgd n GLU 494 Ca 0.12 -0.09 -0.25 0.00 -0.02 0.00 0.00 57.16 56.93 2jgd n GLU 494 Cb 0.71 -0.54 0.02 0.00 -0.02 0.00 0.00 31.44 31.61 2jgd n GLU 494 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2jgd n LYS 495 N -0.00 -4.47 -0.09 3.49 4.01 -0.88 -4.88 118.16 115.33 2jgd n LYS 495 Ca 0.00 0.63 -0.12 0.00 -0.51 0.00 0.00 58.31 58.30 2jgd n LYS 495 Cb 0.25 -5.43 -0.15 0.00 -0.51 0.00 0.00 35.03 29.19 2jgd n LYS 495 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2jgd n VAL 496 N -4.32 1.45 -3.76 -0.18 0.31 0.89 -4.94 118.33 107.77 2jgd n VAL 496 Ca -0.02 -0.78 -0.13 0.00 -0.01 0.00 0.00 64.34 63.40 2jgd n VAL 496 Cb 0.56 -0.79 -0.13 0.00 -0.91 0.00 0.00 33.84 32.56 2jgd n VAL 496 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jgd s ALA 497 N -2.51 -0.39 0.78 3.52 0.00 0.29 -4.99 121.76 118.47 2jgd s ALA 497 Ca -0.16 0.70 -0.11 0.00 0.00 0.00 0.00 51.96 52.39 2jgd s ALA 497 Cb 0.07 -0.44 0.06 0.00 0.00 0.00 0.00 23.12 22.81 2jgd s ALA 497 CO 0.77 -0.14 1.09 0.95 0.00 0.00 0.00 175.76 178.43 2jgd s THR 498 N 0.85 3.29 0.30 0.00 -4.23 -1.26 -3.45 115.64 111.14 2jgd s THR 498 Ca -0.06 0.42 0.07 0.00 -1.18 0.00 0.00 61.69 60.93 2jgd s THR 498 Cb -0.08 -2.94 0.37 0.00 1.34 0.00 0.00 72.50 71.20 2jgd s THR 498 CO -0.05 -0.55 1.46 -0.11 -0.54 0.00 0.00 174.62 174.83 2jgd n LEU 499 N -3.54 0.01 0.18 4.79 7.94 -1.26 -0.88 117.00 124.25 2jgd n LEU 499 Ca 0.09 1.57 0.03 0.00 -1.11 0.00 0.00 56.01 56.59 2jgd n LEU 499 Cb 0.53 -0.63 0.32 0.00 0.53 0.00 0.00 43.42 44.18 2jgd n LEU 499 CO 0.54 -1.64 0.65 -0.08 -1.11 0.00 0.00 177.39 175.76 2jgd h GLU 500 N 0.00 0.00 0.34 1.96 4.81 -1.99 0.12 114.58 119.82 2jgd h GLU 500 Ca 0.63 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.84 2jgd h GLU 500 Cb 1.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.81 2jgd h GLU 500 CO -0.83 0.43 -0.16 -0.44 -0.73 0.00 0.00 179.01 177.28 2jgd h ASP 501 N 0.00 -0.38 -0.32 1.04 3.32 -1.34 -2.63 116.42 116.11 2jgd h ASP 501 Ca -0.00 -0.16 0.06 0.00 0.02 0.00 0.00 57.03 56.94 2jgd h ASP 501 Cb 0.87 0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.45 2jgd h ASP 501 CO 0.06 0.05 -0.07 0.00 -1.72 0.00 0.00 179.24 177.56 2jgd h ALA 502 N -0.55 0.23 -0.93 3.45 0.00 -0.90 -0.90 119.26 119.65 2jgd h ALA 502 Ca -0.05 0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.07 2jgd h ALA 502 Cb 0.52 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 2jgd h ALA 502 CO 0.08 -0.45 0.60 1.15 0.00 0.00 0.00 179.25 180.62 2jgd h THR 503 N 0.02 0.99 0.03 0.00 2.02 -0.86 -2.23 112.91 112.87 2jgd h THR 503 Ca 0.16 -0.33 -0.21 0.00 0.77 0.00 0.00 66.41 66.79 2jgd h THR 503 Cb 0.23 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.57 2jgd h THR 503 CO -0.32 0.18 -0.97 1.05 0.37 0.00 0.00 175.52 175.83 2jgd h GLU 504 N 0.97 0.12 -0.93 6.66 4.11 -0.81 -1.12 114.58 123.58 2jgd h GLU 504 Ca 0.43 -0.16 0.15 0.00 0.07 0.00 0.00 59.36 59.85 2jgd h GLU 504 Cb 0.35 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.56 2jgd h GLU 504 CO -0.18 0.99 0.53 0.52 0.07 0.00 0.00 179.01 180.94 2jgd h MET 505 N 0.05 0.73 -0.08 1.06 2.86 -0.79 0.29 114.93 119.05 2jgd h MET 505 Ca -0.04 -0.04 -0.16 0.00 -2.06 0.00 0.00 59.70 57.39 2jgd h MET 505 Cb 1.66 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 33.15 2jgd h MET 505 CO 0.14 0.48 -0.65 0.28 1.06 0.00 0.00 176.91 178.23 2jgd h VAL 506 N 0.75 1.39 -0.05 -2.22 2.07 -0.89 -2.23 116.25 115.06 2jgd h VAL 506 Ca 0.50 -2.05 -0.17 0.00 0.82 0.00 0.00 66.70 65.80 2jgd h VAL 506 Cb 0.68 2.04 0.01 0.00 -1.52 0.00 0.00 31.29 32.50 2jgd h VAL 506 CO -0.34 0.61 -0.64 0.78 0.02 0.00 0.00 177.57 178.00 2jgd h ASN 507 N 0.22 0.66 -0.83 0.57 2.35 -0.58 -2.89 115.58 115.07 2jgd h ASN 507 Ca -0.01 -0.70 0.07 0.00 -0.55 0.00 0.00 56.30 55.10 2jgd h ASN 507 Cb 1.18 -0.20 -0.06 0.00 0.05 0.00 0.00 38.32 39.29 2jgd h ASN 507 CO 0.10 1.26 0.50 -0.07 -1.65 0.00 0.00 177.43 177.58 2jgd h LEU 508 N 0.11 0.78 0.05 1.61 3.38 -0.37 -1.44 115.31 119.42 2jgd h LEU 508 Ca -0.07 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2jgd h LEU 508 Cb 1.31 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2jgd h LEU 508 CO 0.13 0.49 -0.03 0.22 0.09 0.00 0.00 178.44 179.34 2jgd h TYR 509 N 0.91 -0.07 -0.84 1.13 3.20 -1.45 -1.75 116.97 118.10 2jgd h TYR 509 Ca 0.37 -0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.44 2jgd h TYR 509 Cb 0.20 0.02 -0.15 0.00 1.54 0.00 0.00 36.73 38.35 2jgd h TYR 509 CO -0.04 0.45 0.05 -0.09 -1.64 0.00 0.00 178.16 176.88 2jgd h ARG 510 N -0.63 0.10 -0.63 1.82 2.43 -1.42 -0.10 114.38 115.95 2jgd h ARG 510 Ca -0.01 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2jgd h ARG 510 Cb 0.55 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 2jgd h ARG 510 CO 0.01 0.07 0.37 -0.44 -1.51 0.00 0.00 179.97 178.47 2jgd h ASP 511 N 0.10 0.76 -0.38 -3.80 3.32 -1.10 -0.98 116.42 114.35 2jgd h ASP 511 Ca 0.48 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.45 2jgd h ASP 511 Cb 0.90 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 2jgd h ASP 511 CO -0.73 0.60 0.19 0.00 -1.72 0.00 0.00 179.24 177.59 2jgd h ALA 512 N 1.19 0.49 -0.31 3.45 0.00 -0.28 0.18 119.26 123.98 2jgd h ALA 512 Ca 0.22 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.10 2jgd h ALA 512 Cb -0.01 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 2jgd h ALA 512 CO -0.04 0.04 -0.09 -0.07 0.00 0.00 0.00 179.25 179.09 2jgd h LEU 513 N 0.48 -0.31 -1.70 0.00 3.38 -0.85 0.57 115.31 116.87 2jgd h LEU 513 Ca 0.13 0.10 0.14 0.00 0.09 0.00 0.00 57.88 58.34 2jgd h LEU 513 Cb 0.10 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 2jgd h LEU 513 CO -0.02 -0.11 0.46 0.44 0.09 0.00 0.00 178.44 179.30 2jgd h ASP 514 N -0.01 0.28 0.55 -0.43 3.32 -0.71 -0.92 116.42 118.50 2jgd h ASP 514 Ca 0.15 0.01 -0.23 0.00 0.02 0.00 0.00 57.03 56.98 2jgd h ASP 514 Cb 0.24 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 2jgd h ASP 514 CO -0.32 0.15 -1.03 0.00 -1.72 0.00 0.00 179.24 176.32 2jgd h ALA 515 N 1.67 0.32 0.00 3.45 0.00 0.10 -3.48 119.26 121.32 2jgd h ALA 515 Ca 0.33 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2jgd h ALA 515 Cb 0.86 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2jgd h ALA 515 CO -0.08 0.93 0.00 0.41 0.00 0.00 0.00 179.25 180.50 2jgd n GLY 516 N 1.15 0.74 3.91 0.00 0.00 0.09 -4.95 105.19 106.13 2jgd n GLY 516 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 2jgd n GLY 516 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jgd s ASP 517 N -2.96 5.49 0.34 1.61 1.01 -1.25 -1.44 116.67 119.46 2jgd s ASP 517 Ca 0.00 0.82 -0.25 0.00 0.71 0.00 0.00 52.55 53.83 2jgd s ASP 517 Cb 0.00 -1.73 -0.14 0.00 1.01 0.00 0.00 42.92 42.06 2jgd s ASP 517 CO 0.00 -1.19 0.71 0.00 0.21 0.00 0.00 175.17 174.90 2jgd n VAL 519 N -0.34 0.27 -3.42 0.00 0.31 -1.26 -4.88 118.33 109.00 2jgd n VAL 519 Ca 0.12 -0.56 -0.44 0.00 -0.01 0.00 0.00 64.34 63.46 2jgd n VAL 519 Cb 0.34 0.97 -0.07 0.00 -0.91 0.00 0.00 33.84 34.18 2jgd n VAL 519 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2jgd s VAL 520 N -0.27 4.78 0.58 2.52 1.01 -1.26 -4.94 120.40 122.82 2jgd s VAL 520 Ca 0.00 -1.58 0.30 0.00 0.00 0.00 0.00 61.98 60.70 2jgd s VAL 520 Cb 0.00 -4.07 0.43 0.00 0.00 0.00 0.00 36.38 32.73 2jgd s VAL 520 CO 0.00 -0.80 1.81 0.00 0.00 0.00 0.00 175.10 176.11 2jgd h ALA 521 N 8.69 2.52 -0.07 5.51 0.00 -1.98 0.15 119.26 134.08 2jgd h ALA 521 Ca -0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2jgd h ALA 521 Cb 1.09 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2jgd h ALA 521 CO 0.95 -1.02 0.00 -0.85 0.00 0.00 0.00 179.25 178.32 2jgd n GLU 522 N -3.80 2.11 -1.74 0.00 0.00 -1.26 -4.91 120.64 111.04 2jgd n GLU 522 Ca 0.14 -1.87 -0.42 0.00 0.00 0.00 0.00 57.16 55.02 2jgd n GLU 522 Cb 0.91 -1.43 -0.03 0.00 0.00 0.00 0.00 31.44 30.90 2jgd n GLU 522 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.13 176.67 2jgd s TRP 523 N -1.78 2.85 -0.01 -1.84 -0.00 0.04 -0.29 118.94 117.90 2jgd s TRP 523 Ca 0.27 0.47 0.05 0.00 -0.00 0.00 0.00 56.10 56.89 2jgd s TRP 523 Cb 0.19 -4.13 -0.01 0.00 -0.00 0.00 0.00 33.47 29.52 2jgd s TRP 523 CO 0.28 -4.12 -0.15 1.03 -0.00 0.00 0.00 176.95 173.99 2jgd s ARG 524 N 0.64 1.26 0.46 5.86 1.81 -0.05 -4.89 118.95 124.03 2jgd s ARG 524 Ca 0.71 -0.54 -0.25 0.00 -1.72 0.00 0.00 55.73 53.93 2jgd s ARG 524 Cb -0.49 -1.21 -0.08 0.00 -0.45 0.00 0.00 34.95 32.72 2jgd s ARG 524 CO 0.37 0.32 1.35 -2.30 -0.68 0.00 0.00 175.30 174.36 2jgd n PRO 525 N 2.74 2.00 -2.07 3.54 -0.02 -1.26 -2.48 135.00 137.45 2jgd n PRO 525 Ca -0.15 0.72 -0.35 0.00 -2.02 0.00 0.00 63.50 61.71 2jgd n PRO 525 Cb 0.55 -2.51 0.02 0.00 -0.02 0.00 0.00 33.50 31.53 2jgd n PRO 525 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2jgd s MET 526 N -2.43 3.12 0.54 -0.52 -1.94 -1.26 -4.80 119.30 112.01 2jgd s MET 526 Ca 0.63 1.58 -0.16 0.00 -1.71 0.00 0.00 55.69 56.03 2jgd s MET 526 Cb -0.47 -1.98 -0.06 0.00 2.01 0.00 0.00 34.83 34.33 2jgd s MET 526 CO 0.56 -1.03 1.01 1.21 -0.01 0.00 0.00 175.02 176.76 2jgd s ASN 527 N -1.98 6.35 0.29 3.03 3.84 -1.26 -4.97 114.94 120.25 2jgd s ASN 527 Ca 0.72 1.64 -0.04 0.00 0.21 0.00 0.00 52.86 55.40 2jgd s ASN 527 Cb -0.24 -2.52 0.58 0.00 -0.55 0.00 0.00 41.25 38.53 2jgd s ASN 527 CO 0.32 -0.77 1.57 -0.03 -2.79 0.00 0.00 177.10 175.40 2jgd h MET 528 N 0.75 0.01 0.00 0.43 1.85 -1.99 0.28 114.93 116.27 2jgd h MET 528 Ca -0.47 -0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.62 2jgd h MET 528 Cb 1.20 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.22 2jgd h MET 528 CO 0.60 0.01 0.00 1.12 -0.40 0.00 0.00 176.91 178.24 2jgd h HIS 529 N 0.01 0.00 0.00 1.39 2.07 -2.04 -0.96 115.15 115.62 2jgd h HIS 529 Ca 0.52 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.04 2jgd h HIS 529 Cb 0.95 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.93 2jgd h HIS 529 CO -0.61 0.00 0.00 0.43 -3.07 0.00 0.00 177.93 174.68 2jgd n SER 530 N -2.91 0.02 -4.37 3.10 7.64 0.09 -4.40 113.62 112.78 2jgd n SER 530 Ca -0.01 0.50 -0.45 0.00 1.01 0.00 0.00 58.87 59.93 2jgd n SER 530 Cb 0.17 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 2jgd n SER 530 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2jgd n PHE 531 N -1.52 5.10 0.30 1.43 3.01 -0.37 -4.82 117.46 120.59 2jgd n PHE 531 Ca 0.05 -3.69 0.14 0.00 1.01 0.00 0.00 57.45 54.96 2jgd n PHE 531 Cb 0.25 -1.86 0.37 0.00 -0.01 0.00 0.00 39.48 38.23 2jgd n PHE 531 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 2jgd h THR 532 N 3.97 0.00 0.00 4.37 1.35 -1.85 -3.18 112.91 117.57 2jgd h THR 532 Ca 0.23 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 2jgd h THR 532 Cb 0.86 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 2jgd h THR 532 CO 1.11 0.00 -0.74 0.79 -0.25 0.00 0.00 175.52 176.43 2jgd n TRP 533 N -2.94 0.14 -0.27 4.73 7.02 -1.26 -4.58 117.44 120.28 2jgd n TRP 533 Ca 0.03 0.04 0.05 0.00 -1.02 0.00 0.00 57.50 56.60 2jgd n TRP 533 Cb 0.43 -0.32 0.27 0.00 -2.42 0.00 0.00 31.31 29.28 2jgd n TRP 533 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 2jgd h SER 534 N 0.00 0.84 0.31 -0.99 4.64 -1.98 0.19 113.55 116.57 2jgd h SER 534 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2jgd h SER 534 Cb 0.59 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2jgd h SER 534 CO 0.00 0.54 0.00 -0.65 -0.87 0.00 0.00 176.83 175.85 2jgd h PRO 535 N 0.95 0.00 -0.36 4.77 0.11 -1.86 -3.21 132.00 132.41 2jgd h PRO 535 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 2jgd h PRO 535 Cb 0.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.33 2jgd h PRO 535 CO -0.13 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.32 2jgd n TYR 536 N -2.33 0.48 -3.47 0.65 4.02 0.68 -4.96 117.16 112.23 2jgd n TYR 536 Ca -0.00 -0.50 -0.30 0.00 -0.01 0.00 0.00 57.90 57.08 2jgd n TYR 536 Cb 0.12 -0.03 -0.04 0.00 -0.02 0.00 0.00 39.34 39.37 2jgd n TYR 536 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2jgd s LEU 537 N -1.00 4.16 -1.10 7.72 1.43 -1.21 -4.33 118.68 124.33 2jgd s LEU 537 Ca 0.24 0.73 -0.02 0.00 -1.03 0.00 0.00 54.13 54.05 2jgd s LEU 537 Cb 0.13 -3.51 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 2jgd s LEU 537 CO 0.16 -0.09 0.94 0.59 0.23 0.00 0.00 176.35 178.18 2jgd n ASN 538 N -0.41 -3.64 -4.38 2.29 3.02 -1.26 -5.02 115.26 105.87 2jgd n ASN 538 Ca -0.01 -0.63 -0.29 0.00 -0.03 0.00 0.00 54.58 53.62 2jgd n ASN 538 Cb 0.53 -4.99 -0.13 0.00 -0.61 0.00 0.00 39.78 34.58 2jgd n ASN 538 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2jgd s HIS 539 N -3.36 2.26 0.26 3.10 3.76 -1.26 -5.05 115.29 115.00 2jgd s HIS 539 Ca 0.16 -0.38 0.07 0.00 -0.15 0.00 0.00 55.06 54.76 2jgd s HIS 539 Cb -0.02 -1.22 -0.04 0.00 1.11 0.00 0.00 32.58 32.41 2jgd s HIS 539 CO 0.71 0.33 0.20 -1.21 -0.85 0.00 0.00 174.74 173.92 2jgd s GLU 540 N -2.04 2.93 0.31 1.40 2.02 -1.26 -4.77 118.70 117.29 2jgd s GLU 540 Ca 0.13 -1.06 0.05 0.00 0.02 0.00 0.00 54.97 54.11 2jgd s GLU 540 Cb -0.10 -2.57 0.53 0.00 0.10 0.00 0.00 34.13 32.09 2jgd s GLU 540 CO 0.06 0.39 1.80 0.11 0.02 0.00 0.00 175.26 177.63 2jgd h TRP 541 N 1.47 0.47 -0.44 1.61 5.08 -1.98 -3.02 115.95 119.14 2jgd h TRP 541 Ca -0.48 -0.08 -0.01 0.00 1.08 0.00 0.00 58.89 59.40 2jgd h TRP 541 Cb 1.24 -0.12 -0.01 0.00 -3.00 0.00 0.00 29.16 27.27 2jgd h TRP 541 CO 0.55 0.59 0.02 -0.40 -1.28 0.00 0.00 178.44 177.92 2jgd n ASP 542 N -4.18 4.49 -4.77 0.11 5.68 -1.26 -4.94 116.55 111.67 2jgd n ASP 542 Ca 0.00 -2.71 -0.34 0.00 -0.50 0.00 0.00 54.79 51.24 2jgd n ASP 542 Cb 0.34 -0.64 0.03 0.00 -1.14 0.00 0.00 41.12 39.70 2jgd n ASP 542 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2jgd s GLU 543 N -2.31 3.07 0.52 0.11 2.02 -1.14 -5.00 118.70 115.96 2jgd s GLU 543 Ca 0.40 1.47 -0.19 0.00 0.02 0.00 0.00 54.97 56.67 2jgd s GLU 543 Cb 0.31 -1.98 -0.07 0.00 0.10 0.00 0.00 34.13 32.49 2jgd s GLU 543 CO 0.12 -1.05 1.08 -2.00 0.02 0.00 0.00 175.26 173.42 2jgd s GLU 544 N -3.75 3.57 0.11 1.61 2.56 -1.26 -5.06 118.70 116.47 2jgd s GLU 544 Ca 0.69 1.44 -0.17 0.00 0.00 0.00 0.00 54.97 56.94 2jgd s GLU 544 Cb -0.22 -2.05 0.04 0.00 2.00 0.00 0.00 34.13 33.90 2jgd s GLU 544 CO 0.35 -0.64 0.41 1.52 -0.56 0.00 0.00 175.26 176.34 2jgd s TYR 545 N -1.95 -0.23 -1.00 5.30 1.13 -1.26 -4.99 117.35 114.35 2jgd s TYR 545 Ca 0.69 -0.01 -0.24 0.00 -1.41 0.00 0.00 57.07 56.10 2jgd s TYR 545 Cb -0.19 0.26 -0.16 0.00 -1.10 0.00 0.00 41.96 40.76 2jgd s TYR 545 CO 0.24 -0.67 1.95 -0.35 -2.51 0.00 0.00 175.55 174.21 2jgd n PRO 546 N -0.05 1.07 -0.07 -3.49 -0.04 -1.26 -4.73 135.00 126.43 2jgd n PRO 546 Ca -0.17 -2.06 -0.11 0.00 -0.04 0.00 0.00 63.50 61.12 2jgd n PRO 546 Cb 0.63 -3.57 0.03 0.00 -0.04 0.00 0.00 33.50 30.55 2jgd n PRO 546 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 2jgd h ASN 547 N 9.97 0.82 -4.02 3.54 7.08 -1.97 -3.45 115.58 127.55 2jgd h ASN 547 Ca 0.20 -0.38 -0.46 0.00 -3.08 0.00 0.00 56.30 52.57 2jgd h ASN 547 Cb 0.89 -0.23 -0.00 0.00 -2.08 0.00 0.00 38.32 36.90 2jgd h ASN 547 CO 1.34 1.13 0.37 -0.54 -2.08 0.00 0.00 177.43 177.65 2jgd s LYS 548 N -4.29 4.16 -0.02 4.14 1.02 -1.26 -4.86 119.74 118.63 2jgd s LYS 548 Ca -0.09 1.28 0.02 0.00 0.02 0.00 0.00 55.97 57.20 2jgd s LYS 548 Cb 0.12 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 2jgd s LYS 548 CO 0.86 -0.11 -0.08 0.08 -0.92 0.00 0.00 175.35 175.18 2jgd s VAL 549 N -1.95 0.67 0.14 3.17 1.01 -0.25 -5.03 120.40 118.15 2jgd s VAL 549 Ca 0.61 -0.30 -0.31 0.00 0.00 0.00 0.00 61.98 61.98 2jgd s VAL 549 Cb -0.15 -0.60 -0.08 0.00 0.00 0.00 0.00 36.38 35.55 2jgd s VAL 549 CO 0.19 0.21 1.35 -0.70 0.00 0.00 0.00 175.10 176.15 2jgd s GLU 550 N 0.20 4.35 0.29 2.72 2.12 -1.26 -4.61 118.70 122.51 2jgd s GLU 550 Ca -0.03 2.05 0.04 0.00 0.36 0.00 0.00 54.97 57.39 2jgd s GLU 550 Cb -0.08 -3.23 0.68 0.00 0.26 0.00 0.00 34.13 31.76 2jgd s GLU 550 CO 0.00 -0.36 1.78 1.98 -0.54 0.00 0.00 175.26 178.13 2jgd h MET 551 N 6.27 0.76 -0.13 4.30 1.85 -1.98 0.60 114.93 126.60 2jgd h MET 551 Ca -0.43 -0.05 0.03 0.00 -0.61 0.00 0.00 59.70 58.64 2jgd h MET 551 Cb 1.21 -0.17 -0.03 0.00 0.43 0.00 0.00 31.60 33.04 2jgd h MET 551 CO 0.83 0.50 -0.06 -0.22 -0.40 0.00 0.00 176.91 177.56 2jgd h LYS 552 N 0.78 -0.04 -0.30 0.39 3.64 -2.00 -0.88 116.57 118.15 2jgd h LYS 552 Ca 0.55 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.79 2jgd h LYS 552 Cb 0.80 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 2jgd h LYS 552 CO -0.36 -0.03 -0.39 -0.09 -2.27 0.00 0.00 179.45 176.31 2jgd h ARG 553 N -0.05 0.72 0.20 1.90 9.65 -1.28 -1.48 114.38 124.04 2jgd h ARG 553 Ca 0.07 -0.37 0.01 0.00 -1.10 0.00 0.00 59.98 58.59 2jgd h ARG 553 Cb 0.15 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.71 2jgd h ARG 553 CO -0.16 0.99 -0.32 1.25 2.80 0.00 0.00 179.97 184.52 2jgd h LEU 554 N 0.59 -0.91 -1.04 3.80 5.85 -1.00 -0.66 115.31 121.95 2jgd h LEU 554 Ca 0.05 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2jgd h LEU 554 Cb 0.93 0.33 -0.04 0.00 0.37 0.00 0.00 40.66 42.26 2jgd h LEU 554 CO 0.08 -0.43 0.44 1.56 -0.34 0.00 0.00 178.44 179.76 2jgd h GLN 555 N -0.60 1.11 -0.97 1.25 4.20 -0.99 0.15 115.11 119.27 2jgd h GLN 555 Ca 0.01 -0.12 0.06 0.00 0.06 0.00 0.00 58.65 58.66 2jgd h GLN 555 Cb 0.59 -0.22 -0.06 0.00 0.30 0.00 0.00 27.48 28.09 2jgd h GLN 555 CO -0.14 0.81 0.63 1.49 -0.67 0.00 0.00 178.83 180.95 2jgd h GLU 556 N 1.12 1.09 -0.02 1.46 4.57 -0.77 -0.36 114.58 121.67 2jgd h GLU 556 Ca 0.28 -0.07 -0.20 0.00 -1.18 0.00 0.00 59.36 58.20 2jgd h GLU 556 Cb 0.02 -0.25 0.02 0.00 -0.16 0.00 0.00 28.75 28.38 2jgd h GLU 556 CO -0.05 0.72 -0.77 -0.07 -1.18 0.00 0.00 179.01 177.67 2jgd h LEU 557 N 1.12 0.71 -1.75 1.64 3.38 -0.27 -1.22 115.31 118.93 2jgd h LEU 557 Ca 0.41 -0.73 0.19 0.00 0.09 0.00 0.00 57.88 57.85 2jgd h LEU 557 Cb 0.17 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 2jgd h LEU 557 CO -0.16 1.35 0.54 0.00 0.09 0.00 0.00 178.44 180.26 2jgd h ALA 558 N 0.38 2.40 0.10 1.53 0.00 -0.44 -1.33 119.26 121.90 2jgd h ALA 558 Ca -0.09 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.57 2jgd h ALA 558 Cb 1.45 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 2jgd h ALA 558 CO 0.15 -0.63 -1.27 -0.22 0.00 0.00 0.00 179.25 177.28 2jgd h LYS 559 N 0.22 0.21 -0.77 0.00 3.64 -0.83 -3.23 116.57 115.81 2jgd h LYS 559 Ca 0.39 -0.35 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 2jgd h LYS 559 Cb 1.19 0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 33.08 2jgd h LYS 559 CO -0.08 1.17 0.46 -0.09 -2.27 0.00 0.00 179.45 178.64 2jgd h ARG 560 N -0.42 0.82 -0.01 1.90 2.43 -0.83 -2.05 114.38 116.23 2jgd h ARG 560 Ca -0.28 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 2jgd h ARG 560 Cb 1.66 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 31.02 2jgd h ARG 560 CO 0.03 0.54 0.00 0.44 -1.51 0.00 0.00 179.97 179.48 2jgd n ILE 561 N -4.69 0.01 0.73 1.20 -5.35 -0.54 -2.53 119.36 108.19 2jgd n ILE 561 Ca 0.10 -0.04 0.08 0.00 -0.27 0.00 0.00 62.75 62.62 2jgd n ILE 561 Cb 0.17 -0.32 -0.05 0.00 -1.74 0.00 0.00 39.64 37.71 2jgd n ILE 561 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2jgd n SER 562 N -0.78 1.16 -4.27 7.28 7.64 -0.80 -4.90 113.62 118.95 2jgd n SER 562 Ca 0.20 -1.08 -0.36 0.00 1.01 0.00 0.00 58.87 58.65 2jgd n SER 562 Cb 0.13 0.75 -0.14 0.00 -1.01 0.00 0.00 64.21 63.94 2jgd n SER 562 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2jgd s THR 563 N -2.22 3.36 -0.21 0.44 2.01 -1.01 -4.69 115.64 113.33 2jgd s THR 563 Ca 0.10 -0.84 -0.04 0.00 0.31 0.00 0.00 61.69 61.21 2jgd s THR 563 Cb 0.12 -2.70 -0.01 0.00 0.01 0.00 0.00 72.50 69.92 2jgd s THR 563 CO 0.53 0.17 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.90 2jgd s VAL 564 N 1.41 3.46 0.26 3.82 1.01 -1.26 -4.96 120.40 124.14 2jgd s VAL 564 Ca 0.02 -0.47 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 2jgd s VAL 564 Cb -0.17 -2.56 -0.14 0.00 0.00 0.00 0.00 36.38 33.51 2jgd s VAL 564 CO -0.02 0.44 1.07 -2.65 0.00 0.00 0.00 175.10 173.94 2jgd n PRO 565 N 4.53 1.37 0.27 2.72 -0.02 -1.26 -4.78 135.00 137.84 2jgd n PRO 565 Ca -0.18 0.48 0.14 0.00 -2.02 0.00 0.00 63.50 61.92 2jgd n PRO 565 Cb 0.51 -1.90 0.84 0.00 -0.02 0.00 0.00 33.50 32.93 2jgd n PRO 565 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2jgd h GLU 566 N 2.45 0.00 -1.62 -0.52 4.57 -2.06 -0.74 114.58 116.67 2jgd h GLU 566 Ca -0.41 0.00 0.47 0.00 -1.18 0.00 0.00 59.36 58.24 2jgd h GLU 566 Cb 1.34 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.85 2jgd h GLU 566 CO 0.64 0.00 1.16 0.00 -1.18 0.00 0.00 179.01 179.62 2jgd h ALA 567 N 1.97 3.49 -2.37 2.92 0.00 -2.06 -3.39 119.26 119.82 2jgd h ALA 567 Ca 0.01 -0.04 -0.67 0.00 0.00 0.00 0.00 54.91 54.21 2jgd h ALA 567 Cb 0.07 0.13 -0.17 0.00 0.00 0.00 0.00 17.79 17.82 2jgd h ALA 567 CO -0.00 -1.97 -0.12 0.08 0.00 0.00 0.00 179.25 177.24 2jgd s VAL 568 N -4.93 5.03 -0.27 0.00 1.01 -0.29 -4.93 120.40 116.02 2jgd s VAL 568 Ca -0.05 -0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.55 2jgd s VAL 568 Cb 0.26 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.61 2jgd s VAL 568 CO 0.86 -0.39 1.04 -0.70 0.00 0.00 0.00 175.10 175.90 2jgd s GLU 569 N 2.32 4.17 -0.05 2.72 2.12 -1.26 -4.95 118.70 123.77 2jgd s GLU 569 Ca 0.15 1.21 -0.17 0.00 0.36 0.00 0.00 54.97 56.52 2jgd s GLU 569 Cb -0.16 -3.68 -0.05 0.00 0.26 0.00 0.00 34.13 30.50 2jgd s GLU 569 CO 0.15 -0.73 0.47 -1.64 -0.54 0.00 0.00 175.26 172.97 2jgd s MET 570 N 3.35 4.18 0.78 4.30 -1.94 -1.26 -2.25 119.30 126.46 2jgd s MET 570 Ca 0.44 0.48 -0.16 0.00 -1.71 0.00 0.00 55.69 54.74 2jgd s MET 570 Cb -0.14 -3.34 -0.08 0.00 2.01 0.00 0.00 34.83 33.29 2jgd s MET 570 CO 0.10 0.41 0.03 0.94 -0.01 0.00 0.00 175.02 176.48 2jgd n GLN 571 N 2.76 0.08 -0.09 2.03 0.00 -1.26 -4.70 117.38 116.20 2jgd n GLN 571 Ca -0.10 0.05 -0.13 0.00 -0.00 0.00 0.00 57.00 56.82 2jgd n GLN 571 Cb 0.52 -1.44 -0.04 0.00 0.00 0.00 0.00 30.24 29.27 2jgd n GLN 571 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2jgd h SER 572 N -0.63 0.72 0.05 1.69 0.87 -2.00 -1.35 113.55 112.90 2jgd h SER 572 Ca -0.44 -0.47 -0.12 0.00 -1.23 0.00 0.00 61.79 59.54 2jgd h SER 572 Cb 1.35 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 2jgd h SER 572 CO 0.36 1.04 -0.37 0.03 -0.53 0.00 0.00 176.83 177.36 2jgd h ARG 573 N 0.41 0.44 -0.08 2.24 -0.00 -2.01 -2.88 114.38 112.50 2jgd h ARG 573 Ca 0.04 -0.20 -0.03 0.00 -0.50 0.00 0.00 59.98 59.29 2jgd h ARG 573 Cb 0.84 -0.01 -0.00 0.00 0.00 0.00 0.00 29.97 30.80 2jgd h ARG 573 CO 0.07 0.75 -0.09 0.28 0.00 0.00 0.00 179.97 180.98 2jgd h VAL 574 N 0.37 1.38 -0.98 2.04 2.07 -1.88 -2.65 116.25 116.60 2jgd h VAL 574 Ca 0.04 -1.28 0.14 0.00 0.82 0.00 0.00 66.70 66.42 2jgd h VAL 574 Cb 0.82 2.05 -0.09 0.00 -1.52 0.00 0.00 31.29 32.56 2jgd h VAL 574 CO 0.07 0.36 0.60 0.00 0.02 0.00 0.00 177.57 178.62 2jgd h ALA 575 N 0.55 1.53 0.10 1.67 0.00 -1.13 0.16 119.26 122.13 2jgd h ALA 575 Ca 0.01 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2jgd h ALA 575 Cb 0.62 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2jgd h ALA 575 CO 0.02 0.11 -0.20 -0.22 0.00 0.00 0.00 179.25 178.97 2jgd h LYS 576 N 0.89 -0.35 -1.00 0.00 3.11 -1.48 -0.84 116.57 116.89 2jgd h LYS 576 Ca 0.52 0.02 0.04 0.00 -2.81 0.00 0.00 60.65 58.42 2jgd h LYS 576 Cb 0.62 0.08 -0.06 0.00 -1.00 0.00 0.00 32.23 31.87 2jgd h LYS 576 CO -0.31 -0.24 0.66 0.82 -2.81 0.00 0.00 179.45 177.57 2jgd h ILE 577 N -0.37 1.17 -0.45 2.00 2.04 -0.43 -0.07 117.51 121.39 2jgd h ILE 577 Ca 0.03 -0.43 -0.08 0.00 1.00 0.00 0.00 64.86 65.38 2jgd h ILE 577 Cb 0.39 -0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 2jgd h ILE 577 CO -0.11 0.23 -0.03 1.88 0.00 0.00 0.00 178.15 180.11 2jgd h TYR 578 N 1.26 0.81 -0.43 1.37 -1.99 -0.65 -2.26 116.97 115.09 2jgd h TYR 578 Ca 0.40 -0.12 -0.00 0.00 2.00 0.00 0.00 58.73 61.01 2jgd h TYR 578 Cb 0.01 -0.22 -0.02 0.00 2.00 0.00 0.00 36.73 38.50 2jgd h TYR 578 CO -0.00 0.77 0.25 0.78 -0.00 0.00 0.00 178.16 179.96 2jgd h GLY 579 N 0.97 0.63 -0.14 3.88 0.00 0.41 -1.08 103.07 107.74 2jgd h GLY 579 Ca 0.13 -0.27 0.21 0.00 0.00 0.00 0.00 47.33 47.40 2jgd h GLY 579 CO 0.02 0.26 0.39 -0.55 0.00 0.00 0.00 176.54 176.66 2jgd h ASP 580 N 0.56 0.34 1.05 0.19 3.32 -0.93 -2.28 116.42 118.67 2jgd h ASP 580 Ca 0.15 0.15 -0.17 0.00 0.02 0.00 0.00 57.03 57.18 2jgd h ASP 580 Cb 0.02 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 2jgd h ASP 580 CO -0.03 0.02 -0.79 0.03 -1.72 0.00 0.00 179.24 176.75 2jgd h ARG 581 N 0.42 0.00 -0.04 3.56 3.08 -0.64 0.82 114.38 121.59 2jgd h ARG 581 Ca 0.54 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.57 2jgd h ARG 581 Cb 0.99 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.04 2jgd h ARG 581 CO -0.51 0.79 -0.08 1.96 -1.07 0.00 0.00 179.97 181.07 2jgd h GLN 582 N 0.00 0.05 0.06 0.04 4.20 -1.05 -0.82 115.11 117.59 2jgd h GLN 582 Ca -0.01 -0.01 -0.27 0.00 0.06 0.00 0.00 58.65 58.43 2jgd h GLN 582 Cb 1.53 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.28 2jgd h GLN 582 CO 0.10 0.13 -1.34 0.00 -0.67 0.00 0.00 178.83 177.06 2jgd h ALA 583 N 1.87 0.37 -0.62 3.87 0.00 -0.66 -2.96 119.26 121.13 2jgd h ALA 583 Ca 0.01 -1.07 -0.02 0.00 0.00 0.00 0.00 54.91 53.83 2jgd h ALA 583 Cb 0.17 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2jgd h ALA 583 CO 0.01 1.24 0.32 0.52 0.00 0.00 0.00 179.25 181.34 2jgd h MET 584 N 0.03 0.87 -0.05 0.00 2.86 -0.73 -0.92 114.93 117.00 2jgd h MET 584 Ca -0.15 -0.11 0.02 0.00 -2.06 0.00 0.00 59.70 57.39 2jgd h MET 584 Cb 1.92 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 33.41 2jgd h MET 584 CO 0.14 0.68 0.04 0.00 1.06 0.00 0.00 176.91 178.83 2jgd h ALA 585 N 1.15 1.92 -0.14 6.32 0.00 -1.09 -2.65 119.26 124.77 2jgd h ALA 585 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2jgd h ALA 585 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2jgd h ALA 585 CO -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.15 2jgd n ALA 586 N -2.48 2.44 -0.53 0.00 0.00 -1.11 -4.79 120.51 114.05 2jgd n ALA 586 Ca -0.02 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.65 2jgd n ALA 586 Cb 0.14 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.88 2jgd n ALA 586 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jgd n GLY 587 N 1.20 0.79 0.37 0.00 0.00 -1.00 -4.91 105.19 101.64 2jgd n GLY 587 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 2jgd n GLY 587 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jgd n GLU 588 N -2.00 1.50 -3.63 1.61 1.02 -0.38 -4.85 120.64 113.90 2jgd n GLU 588 Ca 0.00 -0.73 -0.10 0.00 -0.02 0.00 0.00 57.16 56.31 2jgd n GLU 588 Cb 0.00 -1.42 -0.07 0.00 -0.02 0.00 0.00 31.44 29.93 2jgd n GLU 588 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2jgd s LYS 589 N -1.92 0.53 0.47 3.49 2.20 -0.99 -4.89 119.74 118.63 2jgd s LYS 589 Ca 0.35 0.59 -0.23 0.00 -0.36 0.00 0.00 55.97 56.33 2jgd s LYS 589 Cb 0.18 0.26 -0.07 0.00 -1.51 0.00 0.00 37.83 36.69 2jgd s LYS 589 CO 0.29 -0.07 1.18 -0.51 -0.36 0.00 0.00 175.35 175.89 2jgd s LEU 590 N 0.15 3.98 0.13 5.43 1.43 -1.26 -3.83 118.68 124.71 2jgd s LEU 590 Ca 0.03 2.35 -0.30 0.00 -1.03 0.00 0.00 54.13 55.17 2jgd s LEU 590 Cb -0.05 -4.26 -0.07 0.00 0.03 0.00 0.00 46.19 41.84 2jgd s LEU 590 CO -0.05 -1.01 1.22 -0.36 0.23 0.00 0.00 176.35 176.38 2jgd s PHE 591 N -1.53 3.41 0.33 0.29 0.40 0.23 -4.79 117.98 116.32 2jgd s PHE 591 Ca 0.65 1.32 -0.03 0.00 -0.60 0.00 0.00 56.93 58.27 2jgd s PHE 591 Cb -0.30 -3.45 0.07 0.00 0.51 0.00 0.00 43.02 39.85 2jgd s PHE 591 CO 0.36 -1.36 0.46 -0.40 0.70 0.00 0.00 175.22 174.97 2jgd n ASP 592 N 3.22 0.31 -0.04 1.36 5.68 -1.26 -1.59 116.55 124.22 2jgd n ASP 592 Ca 0.07 -1.33 -0.12 0.00 -0.50 0.00 0.00 54.79 52.91 2jgd n ASP 592 Cb 0.45 -0.32 -0.06 0.00 -1.14 0.00 0.00 41.12 40.05 2jgd n ASP 592 CO 0.00 0.00 0.00 -0.25 -1.33 0.00 0.00 177.20 175.62 2jgd h TRP 593 N -0.85 0.25 -0.32 2.11 2.91 -1.81 -1.73 115.95 116.51 2jgd h TRP 593 Ca -0.15 -0.04 -0.08 0.00 1.13 0.00 0.00 58.89 59.75 2jgd h TRP 593 Cb 0.48 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.05 2jgd h TRP 593 CO 0.00 0.43 -0.12 0.78 -1.03 0.00 0.00 178.44 178.49 2jgd h GLY 594 N 0.01 0.71 0.38 2.65 0.00 -1.87 0.26 103.07 105.21 2jgd h GLY 594 Ca 0.04 -0.62 0.08 0.00 0.00 0.00 0.00 47.33 46.84 2jgd h GLY 594 CO 0.00 0.56 0.12 -1.33 0.00 0.00 0.00 176.54 175.90 2jgd h GLY 595 N 0.43 0.63 1.08 4.60 0.00 -1.78 -2.05 103.07 105.99 2jgd h GLY 595 Ca 0.08 -0.04 -0.18 0.00 0.00 0.00 0.00 47.33 47.19 2jgd h GLY 595 CO 0.04 -0.06 -0.56 0.00 0.00 0.00 0.00 176.54 175.96 2jgd h ALA 596 N 1.38 0.37 -0.27 3.60 0.00 -0.94 -2.75 119.26 120.65 2jgd h ALA 596 Ca 0.25 -0.52 0.02 0.00 0.00 0.00 0.00 54.91 54.66 2jgd h ALA 596 Cb 0.33 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2jgd h ALA 596 CO -0.31 0.59 0.12 1.49 0.00 0.00 0.00 179.25 181.14 2jgd h GLU 597 N 0.51 0.25 0.00 0.00 4.81 -0.27 -0.33 114.58 119.55 2jgd h GLU 597 Ca -0.01 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 2jgd h GLU 597 Cb 1.18 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 2jgd h GLU 597 CO 0.12 0.16 -0.31 -0.91 -0.73 0.00 0.00 179.01 177.35 2jgd h ASN 598 N 0.25 0.00 -0.15 1.04 2.35 -1.43 -2.44 115.58 115.20 2jgd h ASN 598 Ca 0.11 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.69 2jgd h ASN 598 Cb 0.05 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 2jgd h ASN 598 CO -0.09 0.31 -0.52 0.25 -1.65 0.00 0.00 177.43 175.73 2jgd h LEU 599 N 0.00 0.81 -0.27 1.61 5.85 -0.93 -1.26 115.31 121.12 2jgd h LEU 599 Ca -0.00 -0.42 0.06 0.00 0.84 0.00 0.00 57.88 58.36 2jgd h LEU 599 Cb 0.58 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.31 2jgd h LEU 599 CO 0.04 1.17 -0.31 0.00 -0.34 0.00 0.00 178.44 179.01 2jgd h ALA 600 N 0.85 -0.24 -0.89 1.25 0.00 -0.63 -1.37 119.26 118.22 2jgd h ALA 600 Ca 0.02 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.03 2jgd h ALA 600 Cb 1.09 0.63 -0.05 0.00 0.00 0.00 0.00 17.79 19.46 2jgd h ALA 600 CO 0.11 -0.74 0.58 1.88 0.00 0.00 0.00 179.25 181.07 2jgd h TYR 601 N -0.31 1.08 -0.41 0.00 0.05 -1.22 -1.61 116.97 114.56 2jgd h TYR 601 Ca 0.14 0.03 0.06 0.00 0.05 0.00 0.00 58.73 59.00 2jgd h TYR 601 Cb 0.52 -0.36 -0.05 0.00 1.01 0.00 0.00 36.73 37.85 2jgd h TYR 601 CO -0.46 0.63 0.12 0.00 -1.05 0.00 0.00 178.16 177.40 2jgd h ALA 602 N 1.36 0.47 0.00 3.88 0.00 -0.70 0.10 119.26 124.38 2jgd h ALA 602 Ca 0.35 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 2jgd h ALA 602 Cb -0.01 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2jgd h ALA 602 CO -0.11 -0.28 -0.07 1.79 0.00 0.00 0.00 179.25 180.58 2jgd h THR 603 N 0.27 0.33 0.07 0.00 1.35 -0.32 0.82 112.91 115.43 2jgd h THR 603 Ca 0.20 -0.41 -0.20 0.00 -0.55 0.00 0.00 66.41 65.44 2jgd h THR 603 Cb 0.21 1.30 -0.01 0.00 -1.73 0.00 0.00 68.15 67.92 2jgd h THR 603 CO -0.22 0.07 -1.03 -0.07 -0.25 0.00 0.00 175.52 174.01 2jgd h LEU 604 N 0.00 0.24 -0.77 3.87 3.38 -0.68 -3.32 115.31 118.03 2jgd h LEU 604 Ca -0.00 -0.83 -0.13 0.00 0.09 0.00 0.00 57.88 57.02 2jgd h LEU 604 Cb 0.30 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2jgd h LEU 604 CO 0.01 1.44 -0.48 -0.37 0.09 0.00 0.00 178.44 179.13 2jgd h VAL 605 N -0.59 1.34 -1.02 1.22 -1.51 -0.79 -1.17 116.25 113.72 2jgd h VAL 605 Ca -0.23 -1.70 0.25 0.00 -1.23 0.00 0.00 66.70 63.79 2jgd h VAL 605 Cb 1.51 1.78 -0.11 0.00 -2.13 0.00 0.00 31.29 32.33 2jgd h VAL 605 CO 0.00 0.51 0.63 -0.78 -1.23 0.00 0.00 177.57 176.71 2jgd h ASP 606 N 0.25 0.58 -0.55 4.19 3.58 -0.98 0.22 116.42 123.72 2jgd h ASP 606 Ca 0.01 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.57 2jgd h ASP 606 Cb 0.95 0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.02 2jgd h ASP 606 CO 0.08 0.11 0.00 -1.84 -2.88 0.00 0.00 179.24 174.70 2jgd n GLU 607 N -4.76 4.07 0.00 0.28 0.28 -0.99 -4.86 120.64 114.65 2jgd n GLU 607 Ca 0.26 -2.97 0.00 0.00 -0.16 0.00 0.00 57.16 54.29 2jgd n GLU 607 Cb 0.80 -2.02 0.00 0.00 1.43 0.00 0.00 31.44 31.65 2jgd n GLU 607 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jgd n GLY 608 N 0.63 0.39 3.60 -1.84 0.00 0.67 -4.92 105.19 103.73 2jgd n GLY 608 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 2jgd n GLY 608 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jgd s ILE 609 N -2.00 4.66 0.57 -0.61 1.01 -0.48 -3.93 121.20 120.43 2jgd s ILE 609 Ca 0.00 1.13 -0.16 0.00 0.00 0.00 0.00 60.65 61.61 2jgd s ILE 609 Cb 0.00 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 2jgd s ILE 609 CO 0.00 -0.45 1.04 -2.84 0.00 0.00 0.00 174.94 172.69 2jgd s PRO 610 N 3.27 3.49 -0.03 2.79 0.02 -1.26 -3.14 135.00 140.15 2jgd s PRO 610 Ca 0.35 1.16 0.06 0.00 0.02 0.00 0.00 61.00 62.60 2jgd s PRO 610 Cb -0.13 -2.06 -0.01 0.00 0.02 0.00 0.00 34.50 32.32 2jgd s PRO 610 CO 0.17 -0.66 -0.21 0.08 -0.33 0.00 0.00 177.00 176.05 2jgd s VAL 611 N -2.45 1.67 -0.18 3.83 1.01 0.01 -1.22 120.40 123.06 2jgd s VAL 611 Ca 0.63 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2jgd s VAL 611 Cb -0.15 -1.40 0.04 0.00 0.00 0.00 0.00 36.38 34.87 2jgd s VAL 611 CO 0.34 0.47 -0.11 -0.60 0.00 0.00 0.00 175.10 175.20 2jgd s ARG 612 N -0.34 2.06 -0.10 2.72 3.52 0.18 -1.75 118.95 125.23 2jgd s ARG 612 Ca 0.04 -0.74 0.02 0.00 -0.13 0.00 0.00 55.73 54.92 2jgd s ARG 612 Cb -0.10 -2.30 -0.02 0.00 -1.56 0.00 0.00 34.95 30.98 2jgd s ARG 612 CO 0.00 -0.38 -0.15 -1.17 -0.81 0.00 0.00 175.30 172.80 2jgd s LEU 613 N 1.44 2.62 -0.06 -0.88 2.96 0.12 -0.35 118.68 124.53 2jgd s LEU 613 Ca 0.01 -0.32 -0.03 0.00 -0.22 0.00 0.00 54.13 53.56 2jgd s LEU 613 Cb -0.15 -1.56 0.03 0.00 0.50 0.00 0.00 46.19 45.01 2jgd s LEU 613 CO -0.09 0.22 0.13 -0.55 -1.32 0.00 0.00 176.35 174.74 2jgd s SER 614 N -0.01 -0.10 0.00 3.68 0.15 -0.65 -0.17 113.70 116.60 2jgd s SER 614 Ca -0.05 0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.86 2jgd s SER 614 Cb -0.14 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 2jgd s SER 614 CO 0.04 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.98 2jgd n GLY 615 N 3.84 2.35 3.64 9.45 0.00 -0.64 -0.66 105.19 123.17 2jgd n GLY 615 Ca -0.22 -0.89 -0.47 0.00 0.00 0.00 0.00 46.02 44.44 2jgd n GLY 615 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jgd n GLU 616 N -0.78 2.13 -2.42 1.61 2.13 -1.25 -2.48 120.64 119.58 2jgd n GLU 616 Ca 0.00 0.74 -0.19 0.00 0.66 0.00 0.00 57.16 58.37 2jgd n GLU 616 Cb 0.00 -2.79 -0.01 0.00 0.27 0.00 0.00 31.44 28.92 2jgd n GLU 616 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2jgd n ASP 617 N 8.04 -5.51 0.13 4.31 8.00 -1.26 -4.55 116.55 125.71 2jgd n ASP 617 Ca 0.26 -0.04 -0.01 0.00 0.71 0.00 0.00 54.79 55.70 2jgd n ASP 617 Cb 0.33 -4.54 0.15 0.00 -0.02 0.00 0.00 41.12 37.05 2jgd n ASP 617 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2jgd h SER 618 N -0.12 0.00 -0.59 -2.24 0.02 -1.75 0.22 113.55 109.08 2jgd h SER 618 Ca -0.46 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 60.61 2jgd h SER 618 Cb 1.33 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.79 2jgd h SER 618 CO 0.53 0.63 0.10 1.23 -1.14 0.00 0.00 176.83 178.18 2jgd h GLY 619 N 2.01 0.73 0.21 -3.77 0.00 -1.88 -3.23 103.07 97.14 2jgd h GLY 619 Ca -0.01 -0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.01 2jgd h GLY 619 CO 0.08 -0.13 -1.71 0.54 0.00 0.00 0.00 176.54 175.32 2jgd n ARG 620 N -5.16 0.64 0.00 4.80 1.74 -1.21 -0.38 116.66 117.08 2jgd n ARG 620 Ca 0.09 0.42 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 2jgd n ARG 620 Cb 0.33 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 2jgd n ARG 620 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jgd n GLY 621 N 1.65 3.05 0.38 -0.13 0.00 0.76 -0.93 105.19 109.97 2jgd n GLY 621 Ca -0.35 -1.40 0.17 0.00 0.00 0.00 0.00 46.02 44.44 2jgd n GLY 621 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2jgd h THR 622 N 0.00 0.78 -0.36 2.61 2.02 -1.80 -1.00 112.91 115.16 2jgd h THR 622 Ca 0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2jgd h THR 622 Cb 0.00 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 2jgd h THR 622 CO 0.00 0.05 0.00 0.49 0.37 0.00 0.00 175.52 176.43 2jgd n PHE 623 N -4.44 0.70 -3.21 3.16 3.72 -1.26 -4.97 117.46 111.15 2jgd n PHE 623 Ca 0.13 -0.62 -0.16 0.00 -0.05 0.00 0.00 57.45 56.75 2jgd n PHE 623 Cb 0.55 -0.13 0.05 0.00 -0.94 0.00 0.00 39.48 39.02 2jgd n PHE 623 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2jgd n PHE 624 N 0.30 -1.89 -0.01 1.38 3.72 -0.38 -4.91 117.46 115.67 2jgd n PHE 624 Ca 0.16 0.67 0.02 0.00 -0.05 0.00 0.00 57.45 58.24 2jgd n PHE 624 Cb 0.60 -3.66 -0.06 0.00 -0.94 0.00 0.00 39.48 35.42 2jgd n PHE 624 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 2jgd n HIS 625 N -4.12 0.00 -0.09 1.38 1.44 -1.21 -4.77 115.22 107.85 2jgd n HIS 625 Ca 0.00 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.60 2jgd n HIS 625 Cb 0.54 -0.25 -0.04 0.00 0.12 0.00 0.00 29.99 30.36 2jgd n HIS 625 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 2jgd n ARG 626 N -1.94 0.51 -4.12 -1.40 0.63 -0.52 -3.96 116.66 105.87 2jgd n ARG 626 Ca -0.05 0.35 -0.30 0.00 -0.92 0.00 0.00 57.85 56.92 2jgd n ARG 626 Cb 0.37 -1.55 -0.04 0.00 0.45 0.00 0.00 32.46 31.70 2jgd n ARG 626 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2jgd n HIS 627 N -4.48 -1.61 0.15 -0.14 8.25 -0.11 -4.83 115.22 112.44 2jgd n HIS 627 Ca -0.18 0.74 -0.00 0.00 -0.26 0.00 0.00 57.72 58.03 2jgd n HIS 627 Cb 0.49 -3.28 0.22 0.00 1.12 0.00 0.00 29.99 28.54 2jgd n HIS 627 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jgd h ALA 628 N 0.86 1.07 -3.36 -1.41 0.00 -0.98 -3.42 119.26 112.01 2jgd h ALA 628 Ca -0.62 -0.50 -0.66 0.00 0.00 0.00 0.00 54.91 53.13 2jgd h ALA 628 Cb 1.38 -0.09 -0.27 0.00 0.00 0.00 0.00 17.79 18.81 2jgd h ALA 628 CO 0.70 0.69 -0.77 0.08 0.00 0.00 0.00 179.25 179.94 2jgd s VAL 629 N -3.73 2.98 -0.18 0.00 1.01 -0.85 -3.98 120.40 115.64 2jgd s VAL 629 Ca -0.02 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 2jgd s VAL 629 Cb 0.13 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 2jgd s VAL 629 CO 0.75 0.53 -0.03 -0.63 0.00 0.00 0.00 175.10 175.72 2jgd s ILE 630 N 0.29 3.79 -0.26 2.22 1.01 -0.01 -4.60 121.20 123.64 2jgd s ILE 630 Ca -0.11 -0.38 -0.20 0.00 0.00 0.00 0.00 60.65 59.96 2jgd s ILE 630 Cb -0.16 -2.68 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 2jgd s ILE 630 CO 0.06 0.46 0.64 -1.00 0.00 0.00 0.00 174.94 175.10 2jgd s HIS 631 N 0.77 3.27 0.23 3.97 3.76 -1.26 -0.99 115.29 125.04 2jgd s HIS 631 Ca -0.01 0.79 -0.30 0.00 -0.15 0.00 0.00 55.06 55.39 2jgd s HIS 631 Cb -0.14 -2.88 -0.09 0.00 1.11 0.00 0.00 32.58 30.58 2jgd s HIS 631 CO 0.02 -0.36 1.26 1.21 -0.85 0.00 0.00 174.74 176.02 2jgd s ASN 632 N 1.50 6.96 0.00 1.40 3.84 0.13 -4.54 114.94 124.23 2jgd s ASN 632 Ca 0.26 2.40 0.25 0.00 0.21 0.00 0.00 52.86 55.99 2jgd s ASN 632 Cb -0.15 -2.62 0.50 0.00 -0.55 0.00 0.00 41.25 38.43 2jgd s ASN 632 CO 0.09 -0.45 1.43 0.00 -2.79 0.00 0.00 177.10 175.38 2jgd n GLN 633 N 2.09 1.75 -0.08 0.43 1.13 -0.95 -2.72 117.38 119.02 2jgd n GLN 633 Ca 0.04 -1.29 -0.09 0.00 -1.94 0.00 0.00 57.00 53.72 2jgd n GLN 633 Cb 0.43 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 29.28 2jgd n GLN 633 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2jgd n SER 634 N 0.50 1.88 0.04 1.08 7.64 -1.26 -4.61 113.62 118.90 2jgd n SER 634 Ca 0.15 0.46 0.12 0.00 1.01 0.00 0.00 58.87 60.61 2jgd n SER 634 Cb 0.47 -0.81 0.22 0.00 -1.01 0.00 0.00 64.21 63.08 2jgd n SER 634 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2jgd n ASN 635 N -4.51 0.62 0.00 6.43 4.13 -1.26 -4.91 115.26 115.76 2jgd n ASN 635 Ca -0.14 0.07 0.00 0.00 1.68 0.00 0.00 54.58 56.19 2jgd n ASN 635 Cb 0.44 0.13 0.00 0.00 -1.54 0.00 0.00 39.78 38.81 2jgd n ASN 635 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jgd n GLY 636 N 1.38 0.42 1.20 7.41 0.00 -1.10 -5.00 105.19 109.49 2jgd n GLY 636 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 2jgd n GLY 636 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jgd n SER 637 N -0.09 0.02 -4.37 1.61 3.41 -1.26 -4.70 113.62 108.24 2jgd n SER 637 Ca 0.00 -1.15 -0.19 0.00 -0.26 0.00 0.00 58.87 57.27 2jgd n SER 637 Cb 0.05 -0.32 -0.10 0.00 -0.26 0.00 0.00 64.21 63.58 2jgd n SER 637 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2jgd s THR 638 N -1.90 1.72 -0.02 6.66 -4.23 -1.26 0.19 115.64 116.79 2jgd s THR 638 Ca 0.23 -2.19 0.01 0.00 -1.18 0.00 0.00 61.69 58.56 2jgd s THR 638 Cb -0.01 -2.16 0.01 0.00 1.34 0.00 0.00 72.50 71.69 2jgd s THR 638 CO 0.16 -0.51 -0.03 -0.47 -0.54 0.00 0.00 174.62 173.24 2jgd s TYR 639 N -2.98 0.43 -0.36 3.99 5.04 -0.16 -4.90 117.35 118.41 2jgd s TYR 639 Ca 0.25 -0.07 0.03 0.00 -2.44 0.00 0.00 57.07 54.83 2jgd s TYR 639 Cb 0.00 -0.40 0.10 0.00 0.35 0.00 0.00 41.96 42.02 2jgd s TYR 639 CO 0.08 -0.09 0.09 0.99 -1.34 0.00 0.00 175.55 175.28 2jgd s THR 640 N 0.54 1.99 0.30 4.34 2.01 -1.26 -0.83 115.64 122.73 2jgd s THR 640 Ca -0.06 -2.26 0.06 0.00 0.31 0.00 0.00 61.69 59.74 2jgd s THR 640 Cb -0.09 -2.46 0.30 0.00 0.01 0.00 0.00 72.50 70.25 2jgd s THR 640 CO -0.01 -0.65 1.71 -0.65 -0.69 0.00 0.00 174.62 174.33 2jgd h PRO 641 N 7.56 0.45 0.00 4.92 0.11 -1.91 0.12 132.00 143.26 2jgd h PRO 641 Ca -0.06 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2jgd h PRO 641 Cb 1.00 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2jgd h PRO 641 CO 0.53 0.30 0.00 1.28 -0.21 0.00 0.00 178.00 179.90 2jgd n LEU 642 N -4.98 0.00 -0.51 2.35 4.77 -1.26 -0.46 117.00 116.90 2jgd n LEU 642 Ca 0.24 0.39 0.14 0.00 -0.03 0.00 0.00 56.01 56.74 2jgd n LEU 642 Cb 0.69 -0.39 0.50 0.00 -2.33 0.00 0.00 43.42 41.89 2jgd n LEU 642 CO 0.14 -0.27 0.86 0.00 -1.33 0.00 0.00 177.39 176.79 2jgd n GLN 643 N -1.39 1.70 -2.54 3.23 6.02 0.42 -4.46 117.38 120.36 2jgd n GLN 643 Ca 0.03 -1.02 -0.16 0.00 -0.01 0.00 0.00 57.00 55.84 2jgd n GLN 643 Cb 0.09 -1.48 0.02 0.00 1.02 0.00 0.00 30.24 29.89 2jgd n GLN 643 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2jgd n HIS 644 N 0.24 2.20 -0.06 1.08 8.25 0.39 -4.86 115.22 122.45 2jgd n HIS 644 Ca 0.19 -2.76 -0.04 0.00 -0.26 0.00 0.00 57.72 54.84 2jgd n HIS 644 Cb 0.37 -0.25 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 2jgd n HIS 644 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2jgd n ILE 645 N -0.36 1.13 -3.52 1.59 5.41 -1.26 -4.99 119.36 117.36 2jgd n ILE 645 Ca 0.24 0.27 -0.15 0.00 1.00 0.00 0.00 62.75 64.11 2jgd n ILE 645 Cb 0.78 -2.20 -0.05 0.00 -0.71 0.00 0.00 39.64 37.45 2jgd n ILE 645 CO 0.00 0.00 0.00 -1.38 0.00 0.00 0.00 176.55 175.17 2jgd s HIS 646 N -2.06 -0.54 0.14 1.39 -3.43 -1.26 -5.11 115.29 104.42 2jgd s HIS 646 Ca -0.13 0.71 -0.34 0.00 -0.80 0.00 0.00 55.06 54.50 2jgd s HIS 646 Cb 0.02 0.41 -0.15 0.00 -1.43 0.00 0.00 32.58 31.43 2jgd s HIS 646 CO 0.20 -0.67 1.37 0.09 -2.00 0.00 0.00 174.74 173.73 2jgd n ASN 647 N 0.47 2.11 0.00 7.38 5.03 -1.26 -1.99 115.26 127.00 2jgd n ASN 647 Ca -0.18 1.12 0.00 0.00 0.87 0.00 0.00 54.58 56.38 2jgd n ASN 647 Cb 0.60 -1.29 0.00 0.00 -1.02 0.00 0.00 39.78 38.07 2jgd n ASN 647 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jgd n GLY 648 N 2.59 0.47 3.81 7.41 0.00 -1.26 -5.06 105.19 113.16 2jgd n GLY 648 Ca 0.16 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 2jgd n GLY 648 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2jgd s GLN 649 N -1.68 2.10 0.49 1.61 -2.07 -0.84 -4.70 119.66 114.57 2jgd s GLN 649 Ca 0.00 0.59 -0.23 0.00 -1.82 0.00 0.00 55.36 53.91 2jgd s GLN 649 Cb 0.00 -1.92 -0.08 0.00 -1.09 0.00 0.00 33.01 29.92 2jgd s GLN 649 CO 0.00 -1.60 1.18 0.41 -1.32 0.00 0.00 175.29 173.96 2jgd n GLY 650 N -2.21 0.27 3.76 2.60 0.00 -0.54 -4.86 105.19 104.21 2jgd n GLY 650 Ca 0.07 0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2jgd n GLY 650 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgd s ALA 651 N -1.31 2.94 -0.14 4.61 0.00 -1.26 -4.78 121.76 121.82 2jgd s ALA 651 Ca 0.67 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.74 2jgd s ALA 651 Cb -0.47 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.21 2jgd s ALA 651 CO 0.53 -0.93 -0.13 0.12 0.00 0.00 0.00 175.76 175.35 2jgd s PHE 652 N -1.43 2.02 -0.05 0.00 2.19 -1.26 -0.81 117.98 118.63 2jgd s PHE 652 Ca 0.66 -1.11 0.02 0.00 0.33 0.00 0.00 56.93 56.82 2jgd s PHE 652 Cb -0.34 -1.52 0.02 0.00 -1.31 0.00 0.00 43.02 39.87 2jgd s PHE 652 CO 0.41 -0.64 -0.09 1.03 1.83 0.00 0.00 175.22 177.77 2jgd s ARG 653 N 1.53 1.23 -0.08 10.12 0.52 -0.72 -4.82 118.95 126.74 2jgd s ARG 653 Ca 0.05 -0.27 0.03 0.00 -0.52 0.00 0.00 55.73 55.02 2jgd s ARG 653 Cb -0.13 -1.09 -0.02 0.00 0.52 0.00 0.00 34.95 34.23 2jgd s ARG 653 CO -0.10 -0.01 -0.18 0.08 0.02 0.00 0.00 175.30 175.12 2jgd s VAL 654 N 0.70 2.69 -0.08 3.52 1.01 -1.26 -0.71 120.40 126.28 2jgd s VAL 654 Ca -0.12 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.06 2jgd s VAL 654 Cb -0.14 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.19 2jgd s VAL 654 CO 0.02 0.56 -0.12 0.26 0.00 0.00 0.00 175.10 175.82 2jgd s TRP 655 N -0.10 1.52 -0.85 5.22 0.52 0.76 -4.91 118.94 121.10 2jgd s TRP 655 Ca -0.03 -0.60 -0.19 0.00 0.02 0.00 0.00 56.10 55.30 2jgd s TRP 655 Cb -0.14 -1.13 0.13 0.00 -1.15 0.00 0.00 33.47 31.18 2jgd s TRP 655 CO 0.04 -0.33 1.02 -0.51 0.02 0.00 0.00 176.95 177.19 2jgd s ASP 656 N 0.82 6.54 0.46 2.95 1.01 -1.26 -1.62 116.67 125.57 2jgd s ASP 656 Ca -0.12 -1.92 -0.12 0.00 0.71 0.00 0.00 52.55 51.10 2jgd s ASP 656 Cb -0.15 -2.37 -0.09 0.00 1.01 0.00 0.00 42.92 41.32 2jgd s ASP 656 CO 0.02 -1.06 -0.69 -1.20 0.21 0.00 0.00 175.17 172.44 2jgd n SER 657 N 6.38 -1.40 -3.73 0.27 7.64 -1.13 -4.84 113.62 116.81 2jgd n SER 657 Ca 0.16 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.90 2jgd n SER 657 Cb 0.48 -0.24 -0.09 0.00 -1.01 0.00 0.00 64.21 63.35 2jgd n SER 657 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2jgd s VAL 658 N -0.96 0.04 0.00 0.44 -7.23 -1.26 -4.55 120.40 106.88 2jgd s VAL 658 Ca 0.16 -0.33 0.00 0.00 -1.81 0.00 0.00 61.98 60.00 2jgd s VAL 658 Cb 0.05 -0.64 0.00 0.00 0.56 0.00 0.00 36.38 36.35 2jgd s VAL 658 CO 0.29 -0.18 0.00 0.18 -0.31 0.00 0.00 175.10 175.08 2jgd n LEU 659 N 1.55 0.00 -3.70 1.32 4.77 -1.26 -4.83 117.00 114.85 2jgd n LEU 659 Ca -0.20 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.54 2jgd n LEU 659 Cb 0.56 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.71 2jgd n LEU 659 CO 0.20 0.00 0.14 -1.20 -1.33 0.00 0.00 177.39 175.21 2jgd n SER 660 N -3.39 -4.58 0.09 -1.43 7.64 -1.26 -4.85 113.62 105.84 2jgd n SER 660 Ca 0.00 -0.67 -0.07 0.00 1.01 0.00 0.00 58.87 59.14 2jgd n SER 660 Cb 0.00 -4.53 0.02 0.00 -1.01 0.00 0.00 64.21 58.69 2jgd n SER 660 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2jgd h GLU 661 N -2.28 0.16 -0.31 1.43 4.81 -1.91 -0.39 114.58 116.09 2jgd h GLU 661 Ca -0.58 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 58.44 2jgd h GLU 661 Cb 1.37 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 2jgd h GLU 661 CO 0.59 0.89 -0.01 1.49 -0.73 0.00 0.00 179.01 181.24 2jgd h GLU 662 N 0.09 0.55 -0.55 1.92 4.81 -1.90 -2.59 114.58 116.90 2jgd h GLU 662 Ca -0.03 -0.18 -0.09 0.00 -0.13 0.00 0.00 59.36 58.93 2jgd h GLU 662 Cb 1.43 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.74 2jgd h GLU 662 CO 0.12 0.69 -0.02 0.00 -0.73 0.00 0.00 179.01 179.08 2jgd h ALA 663 N 0.83 0.92 0.02 2.92 0.00 -1.79 -2.72 119.26 119.45 2jgd h ALA 663 Ca 0.09 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2jgd h ALA 663 Cb 0.45 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2jgd h ALA 663 CO 0.02 0.64 -0.01 0.28 0.00 0.00 0.00 179.25 180.18 2jgd h VAL 664 N 0.88 1.19 -0.71 0.00 2.07 -1.08 -0.92 116.25 117.68 2jgd h VAL 664 Ca 0.16 -0.68 -0.06 0.00 0.82 0.00 0.00 66.70 66.95 2jgd h VAL 664 Cb 0.54 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 2jgd h VAL 664 CO 0.03 0.17 0.23 0.25 0.02 0.00 0.00 177.57 178.27 2jgd h LEU 665 N -0.33 1.02 -0.53 2.57 5.85 -1.49 -0.37 115.31 122.03 2jgd h LEU 665 Ca -0.00 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.61 2jgd h LEU 665 Cb 0.31 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 2jgd h LEU 665 CO 0.01 0.95 0.20 0.00 -0.34 0.00 0.00 178.44 179.25 2jgd h ALA 666 N 1.19 0.66 -0.12 1.25 0.00 -1.43 0.18 119.26 121.00 2jgd h ALA 666 Ca 0.23 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.22 2jgd h ALA 666 Cb 0.29 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2jgd h ALA 666 CO -0.01 -0.20 0.02 0.35 0.00 0.00 0.00 179.25 179.41 2jgd h PHE 667 N 0.38 0.04 0.00 0.00 3.57 -0.15 0.27 116.94 121.05 2jgd h PHE 667 Ca 0.26 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.70 2jgd h PHE 667 Cb 0.28 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2jgd h PHE 667 CO -0.16 0.02 -0.32 0.93 -2.23 0.00 0.00 178.31 176.54 2jgd h GLU 668 N 0.08 0.00 -0.20 1.11 4.39 -0.70 0.79 114.58 120.05 2jgd h GLU 668 Ca 0.05 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 2jgd h GLU 668 Cb 0.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2jgd h GLU 668 CO -0.07 0.32 -0.00 -0.92 -1.16 0.00 0.00 179.01 177.18 2jgd h TYR 669 N 0.00 0.39 -0.88 4.33 3.20 0.16 -1.53 116.97 122.63 2jgd h TYR 669 Ca -0.00 -0.07 0.05 0.00 3.14 0.00 0.00 58.73 61.85 2jgd h TYR 669 Cb 0.59 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.70 2jgd h TYR 669 CO 0.00 0.55 0.56 0.78 -1.64 0.00 0.00 178.16 178.41 2jgd h GLY 670 N 0.11 1.31 0.82 1.82 0.00 -0.33 -1.54 103.07 105.26 2jgd h GLY 670 Ca 0.06 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 2jgd h GLY 670 CO 0.01 0.32 -0.22 -1.82 0.00 0.00 0.00 176.54 174.83 2jgd h TYR 671 N 1.05 -0.56 -0.67 5.60 3.20 -0.67 -2.16 116.97 122.75 2jgd h TYR 671 Ca 0.37 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.32 2jgd h TYR 671 Cb 0.10 0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.51 2jgd h TYR 671 CO -0.02 -0.26 0.45 0.00 -1.64 0.00 0.00 178.16 176.68 2jgd h ALA 672 N -0.33 1.89 0.00 1.82 0.00 -1.25 -1.32 119.26 120.06 2jgd h ALA 672 Ca -0.06 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2jgd h ALA 672 Cb 0.55 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2jgd h ALA 672 CO 0.10 -0.02 -0.20 1.15 0.00 0.00 0.00 179.25 180.28 2jgd h THR 673 N 0.56 0.79 0.00 0.00 2.02 -1.03 -3.19 112.91 112.06 2jgd h THR 673 Ca 0.31 -0.80 -0.08 0.00 0.77 0.00 0.00 66.41 66.61 2jgd h THR 673 Cb 0.46 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 2jgd h THR 673 CO -0.10 0.20 -1.62 0.00 0.37 0.00 0.00 175.52 174.37 2jgd n ALA 674 N -2.34 2.37 -3.56 6.16 0.00 -0.55 -4.83 120.51 117.76 2jgd n ALA 674 Ca -0.02 -0.54 -0.29 0.00 0.00 0.00 0.00 53.44 52.60 2jgd n ALA 674 Cb 0.30 -0.84 -0.12 0.00 0.00 0.00 0.00 19.45 18.80 2jgd n ALA 674 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2jgd s GLU 675 N -3.22 0.93 0.00 0.00 2.56 -0.92 -4.97 118.70 113.09 2jgd s GLU 675 Ca -0.05 -1.73 0.29 0.00 0.00 0.00 0.00 54.97 53.48 2jgd s GLU 675 Cb 0.11 -1.78 1.27 0.00 2.00 0.00 0.00 34.13 35.73 2jgd s GLU 675 CO 0.84 -1.21 1.93 -0.35 -0.56 0.00 0.00 175.26 175.91 2jgd n PRO 676 N 3.66 0.15 0.17 4.30 -0.04 -1.26 -3.01 135.00 138.97 2jgd n PRO 676 Ca 0.13 -0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.70 2jgd n PRO 676 Cb 0.37 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.55 2jgd n PRO 676 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jgd h ARG 677 N 0.03 0.00 -5.83 0.54 3.08 -1.94 -3.45 114.38 106.81 2jgd h ARG 677 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 2jgd h ARG 677 Cb 0.44 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.43 2jgd h ARG 677 CO 0.00 0.00 -0.41 0.99 -1.07 0.00 0.00 179.97 179.48 2jgd s THR 678 N -3.19 5.35 -0.33 2.04 2.01 -1.16 -4.31 115.64 116.04 2jgd s THR 678 Ca 0.07 0.22 -0.21 0.00 0.31 0.00 0.00 61.69 62.08 2jgd s THR 678 Cb 0.08 -3.53 -0.00 0.00 0.01 0.00 0.00 72.50 69.06 2jgd s THR 678 CO 0.66 0.46 0.68 -0.22 -0.69 0.00 0.00 174.62 175.51 2jgd s LEU 679 N -1.49 4.17 -0.22 4.42 2.96 -0.36 -4.97 118.68 123.19 2jgd s LEU 679 Ca 0.23 0.36 -0.03 0.00 -0.22 0.00 0.00 54.13 54.48 2jgd s LEU 679 Cb -0.13 -2.87 -0.00 0.00 0.50 0.00 0.00 46.19 43.68 2jgd s LEU 679 CO 0.12 -0.57 -0.07 -0.89 -1.32 0.00 0.00 176.35 173.63 2jgd s THR 680 N 2.76 3.13 -0.08 3.68 2.01 -1.26 -0.65 115.64 125.24 2jgd s THR 680 Ca 0.27 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.70 2jgd s THR 680 Cb -0.14 -2.43 -0.00 0.00 0.01 0.00 0.00 72.50 69.93 2jgd s THR 680 CO 0.14 0.41 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.63 2jgd s ILE 681 N 1.44 1.87 -0.11 1.82 1.01 0.52 -1.13 121.20 126.63 2jgd s ILE 681 Ca 0.05 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.80 2jgd s ILE 681 Cb -0.14 -1.62 -0.00 0.00 0.01 0.00 0.00 42.46 40.71 2jgd s ILE 681 CO -0.05 0.52 -0.22 0.86 0.00 0.00 0.00 174.94 176.05 2jgd s TRP 682 N 0.22 2.60 -0.23 3.97 -0.00 0.68 -1.64 118.94 124.54 2jgd s TRP 682 Ca -0.13 -1.02 0.00 0.00 -0.00 0.00 0.00 56.10 54.96 2jgd s TRP 682 Cb -0.16 -1.73 0.03 0.00 -0.00 0.00 0.00 33.47 31.61 2jgd s TRP 682 CO 0.06 -0.41 -0.12 -2.00 -0.00 0.00 0.00 176.95 174.49 2jgd s GLU 683 N 0.37 2.73 0.43 5.86 2.12 0.16 -0.09 118.70 130.29 2jgd s GLU 683 Ca -0.17 -1.03 -0.24 0.00 0.36 0.00 0.00 54.97 53.89 2jgd s GLU 683 Cb -0.18 -2.83 -0.08 0.00 0.26 0.00 0.00 34.13 31.30 2jgd s GLU 683 CO 0.08 -0.38 1.20 0.00 -0.54 0.00 0.00 175.26 175.61 2jgd s ALA 684 N 1.26 3.07 0.13 6.30 0.00 -0.14 -3.81 121.76 128.56 2jgd s ALA 684 Ca -0.01 1.01 -0.31 0.00 0.00 0.00 0.00 51.96 52.66 2jgd s ALA 684 Cb -0.16 -3.41 -0.08 0.00 0.00 0.00 0.00 23.12 19.47 2jgd s ALA 684 CO -0.07 -0.67 1.57 0.37 0.00 0.00 0.00 175.76 176.95 2jgd h GLN 685 N 2.33 -0.50 -4.63 0.00 4.15 -1.87 -3.39 115.11 111.19 2jgd h GLN 685 Ca -0.49 0.03 -0.33 0.00 0.77 0.00 0.00 58.65 58.63 2jgd h GLN 685 Cb 1.25 0.11 -0.25 0.00 0.21 0.00 0.00 27.48 28.80 2jgd h GLN 685 CO 0.61 -0.34 -0.76 -0.06 -1.93 0.00 0.00 178.83 176.36 2jgd s PHE 686 N -5.82 0.71 0.29 3.99 0.40 -1.26 -5.61 117.98 110.68 2jgd s PHE 686 Ca -0.15 -0.30 -0.01 0.00 -0.60 0.00 0.00 56.93 55.87 2jgd s PHE 686 Cb 0.09 -0.44 0.47 0.00 0.51 0.00 0.00 43.02 43.65 2jgd s PHE 686 CO 0.63 -0.03 1.91 0.78 0.70 0.00 0.00 175.22 179.21 2jgd h GLY 687 N 5.22 1.36 -1.10 4.36 0.00 -1.30 -1.88 103.07 109.74 2jgd h GLY 687 Ca -0.33 -0.44 0.44 0.00 0.00 0.00 0.00 47.33 47.00 2jgd h GLY 687 CO 0.45 0.34 1.05 -0.55 0.00 0.00 0.00 176.54 177.83 2jgd h ASP 688 N 1.11 0.09 0.94 0.19 3.45 -1.70 0.16 116.42 120.65 2jgd h ASP 688 Ca 0.39 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.89 2jgd h ASP 688 Cb 0.12 0.03 0.00 0.00 -0.56 0.00 0.00 39.33 38.92 2jgd h ASP 688 CO -0.14 -0.03 -0.17 0.49 -1.57 0.00 0.00 179.24 177.81 2jgd n PHE 689 N -4.24 0.18 0.29 4.55 3.01 -0.71 -4.10 117.46 116.44 2jgd n PHE 689 Ca 0.35 0.05 0.18 0.00 1.01 0.00 0.00 57.45 59.04 2jgd n PHE 689 Cb 1.54 -0.52 0.78 0.00 -0.01 0.00 0.00 39.48 41.28 2jgd n PHE 689 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2jgd h ALA 690 N 2.89 1.01 0.00 4.37 0.00 -0.84 -0.64 119.26 126.04 2jgd h ALA 690 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jgd h ALA 690 Cb 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2jgd h ALA 690 CO 0.00 0.01 0.00 0.27 0.00 0.00 0.00 179.25 179.53 2jgd n ASN 691 N -3.11 0.61 0.03 0.00 6.94 -1.26 0.63 115.26 119.10 2jgd n ASN 691 Ca -0.00 0.74 0.02 0.00 -0.02 0.00 0.00 54.58 55.32 2jgd n ASN 691 Cb 0.26 -0.83 0.11 0.00 -2.36 0.00 0.00 39.78 36.96 2jgd n ASN 691 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jgd n GLY 692 N -0.91 -0.58 0.37 4.83 0.00 -0.25 -2.11 105.19 106.54 2jgd n GLY 692 Ca -0.00 0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.11 2jgd n GLY 692 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgd n ALA 693 N -1.55 2.51 -0.30 4.61 0.00 0.20 -4.06 120.51 121.94 2jgd n ALA 693 Ca -0.00 -2.44 0.11 0.00 0.00 0.00 0.00 53.44 51.11 2jgd n ALA 693 Cb 0.01 -0.42 0.27 0.00 0.00 0.00 0.00 19.45 19.31 2jgd n ALA 693 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2jgd h GLN 694 N 0.29 0.47 -0.92 0.00 5.75 -1.48 0.29 115.11 119.50 2jgd h GLN 694 Ca -0.02 -0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.48 2jgd h GLN 694 Cb 1.15 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 29.54 2jgd h GLN 694 CO 0.01 0.31 0.61 0.28 -2.65 0.00 0.00 178.83 177.39 2jgd h VAL 695 N 0.49 1.19 -0.31 2.39 2.07 -1.88 0.39 116.25 120.59 2jgd h VAL 695 Ca 0.52 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.60 2jgd h VAL 695 Cb 0.89 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2jgd h VAL 695 CO -0.46 0.22 0.08 0.58 0.02 0.00 0.00 177.57 178.01 2jgd h VAL 696 N 1.20 1.21 -0.91 2.57 2.07 -1.34 0.28 116.25 121.33 2jgd h VAL 696 Ca 0.36 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2jgd h VAL 696 Cb -0.06 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 2jgd h VAL 696 CO -0.10 0.24 0.53 0.40 0.02 0.00 0.00 177.57 178.66 2jgd h ILE 697 N 0.33 1.25 0.08 4.57 2.04 -0.50 -2.09 117.51 123.19 2jgd h ILE 697 Ca 0.10 -0.58 -0.18 0.00 1.00 0.00 0.00 64.86 65.19 2jgd h ILE 697 Cb 0.28 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 2jgd h ILE 697 CO -0.00 0.27 -0.91 0.44 0.00 0.00 0.00 178.15 177.95 2jgd h ASP 698 N 1.27 0.26 0.66 1.72 3.32 0.04 -2.68 116.42 121.02 2jgd h ASP 698 Ca 0.33 -0.86 0.00 0.00 0.02 0.00 0.00 57.03 56.51 2jgd h ASP 698 Cb -0.03 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.44 2jgd h ASP 698 CO -0.06 1.40 -0.76 0.00 -1.72 0.00 0.00 179.24 178.10 2jgd n GLN 699 N -4.21 0.26 0.00 3.56 3.00 0.95 -4.35 117.38 116.59 2jgd n GLN 699 Ca -0.20 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 2jgd n GLN 699 Cb 0.75 -1.63 0.00 0.00 0.00 0.00 0.00 30.24 29.36 2jgd n GLN 699 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 2jgd n PHE 700 N -1.98 0.00 -0.10 1.08 3.01 -0.96 -4.51 117.46 113.99 2jgd n PHE 700 Ca 0.03 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.43 2jgd n PHE 700 Cb 0.43 0.11 0.02 0.00 -0.01 0.00 0.00 39.48 40.02 2jgd n PHE 700 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 2jgd h ILE 701 N 0.00 0.82 0.00 4.37 2.04 -1.50 0.36 117.51 123.60 2jgd h ILE 701 Ca 0.00 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2jgd h ILE 701 Cb 0.00 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2jgd h ILE 701 CO 0.00 0.03 -0.76 -1.54 0.00 0.00 0.00 178.15 175.88 2jgd n SER 702 N -5.09 0.64 0.00 1.72 3.41 -1.01 -4.31 113.62 108.97 2jgd n SER 702 Ca 0.01 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 2jgd n SER 702 Cb 0.16 0.54 0.00 0.00 -0.26 0.00 0.00 64.21 64.65 2jgd n SER 702 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2jgd n SER 703 N -1.70 0.15 0.07 4.04 3.41 -1.13 -4.84 113.62 113.63 2jgd n SER 703 Ca 0.04 -0.21 0.04 0.00 -0.26 0.00 0.00 58.87 58.48 2jgd n SER 703 Cb 0.38 0.44 0.43 0.00 -0.26 0.00 0.00 64.21 65.20 2jgd n SER 703 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2jgd h GLY 704 N 0.00 0.40 1.23 5.00 0.00 -0.48 -1.96 103.07 107.27 2jgd h GLY 704 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 2jgd h GLY 704 CO 0.00 0.18 0.38 -2.09 0.00 0.00 0.00 176.54 175.00 2jgd h GLU 705 N 0.38 1.00 0.12 4.80 4.81 -1.77 -0.69 114.58 123.22 2jgd h GLU 705 Ca 0.09 -0.12 -0.34 0.00 -0.13 0.00 0.00 59.36 58.87 2jgd h GLU 705 Cb 0.12 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 2jgd h GLU 705 CO -0.01 0.75 -1.80 1.96 -0.73 0.00 0.00 179.01 179.18 2jgd h GLN 706 N 1.00 0.25 -0.29 1.92 1.08 -1.75 -0.50 115.11 116.82 2jgd h GLN 706 Ca 0.25 -0.42 -0.11 0.00 -1.45 0.00 0.00 58.65 56.92 2jgd h GLN 706 Cb 0.05 0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 2jgd h GLN 706 CO -0.04 1.10 -0.24 0.87 -0.95 0.00 0.00 178.83 179.57 2jgd h LYS 707 N 0.07 0.68 0.00 1.46 1.57 -1.41 0.07 116.57 119.01 2jgd h LYS 707 Ca -0.35 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.09 2jgd h LYS 707 Cb 2.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.36 2jgd h LYS 707 CO 0.12 0.95 0.00 0.91 -0.57 0.00 0.00 179.45 180.86 2jgd n TRP 708 N -4.30 0.00 -1.06 -1.35 8.01 -0.29 -3.33 117.44 115.12 2jgd n TRP 708 Ca -0.04 0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.13 2jgd n TRP 708 Cb 0.44 0.00 -0.01 0.00 -2.01 0.00 0.00 31.31 29.73 2jgd n TRP 708 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2jgd n GLY 709 N 0.26 0.55 3.51 6.99 0.00 -0.19 -4.99 105.19 111.33 2jgd n GLY 709 Ca 0.00 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 2jgd n GLY 709 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jgd s ARG 710 N -1.52 3.30 0.64 1.61 1.81 -1.10 -4.91 118.95 118.77 2jgd s ARG 710 Ca 0.00 -0.57 -0.11 0.00 -1.72 0.00 0.00 55.73 53.33 2jgd s ARG 710 Cb 0.00 -3.90 -0.02 0.00 -0.45 0.00 0.00 34.95 30.58 2jgd s ARG 710 CO 0.00 -0.74 1.03 -1.64 -0.68 0.00 0.00 175.30 173.27 2jgd s MET 711 N 2.17 3.36 -0.30 3.54 -1.94 -1.26 -2.84 119.30 122.04 2jgd s MET 711 Ca 0.13 0.62 -0.15 0.00 -1.71 0.00 0.00 55.69 54.58 2jgd s MET 711 Cb -0.17 -2.08 0.15 0.00 2.01 0.00 0.00 34.83 34.74 2jgd s MET 711 CO 0.13 -0.69 0.93 0.00 -0.01 0.00 0.00 175.02 175.38 2jgd n GLY 713 N 4.60 3.61 3.59 0.00 0.00 -1.26 -1.35 105.19 114.39 2jgd n GLY 713 Ca -0.13 -1.00 -0.48 0.00 0.00 0.00 0.00 46.02 44.41 2jgd n GLY 713 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2jgd n LEU 714 N -0.04 1.77 -4.52 0.99 7.94 -1.26 -4.63 117.00 117.25 2jgd n LEU 714 Ca 0.31 1.15 -0.34 0.00 -1.11 0.00 0.00 56.01 56.02 2jgd n LEU 714 Cb 1.17 -1.25 -0.12 0.00 0.53 0.00 0.00 43.42 43.75 2jgd n LEU 714 CO 0.31 -1.21 -0.35 -0.69 -1.11 0.00 0.00 177.39 174.34 2jgd s VAL 715 N -0.31 3.95 -0.31 1.96 1.01 -0.28 -0.81 120.40 125.61 2jgd s VAL 715 Ca 0.70 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 62.31 2jgd s VAL 715 Cb -0.80 -2.72 0.04 0.00 0.00 0.00 0.00 36.38 32.90 2jgd s VAL 715 CO 0.53 0.51 0.02 -0.04 0.00 0.00 0.00 175.10 176.12 2jgd s MET 716 N 0.21 2.53 -0.44 2.72 -1.94 0.95 -0.23 119.30 123.11 2jgd s MET 716 Ca -0.02 -1.21 -0.25 0.00 -1.71 0.00 0.00 55.69 52.51 2jgd s MET 716 Cb -0.14 -3.24 0.02 0.00 2.01 0.00 0.00 34.83 33.48 2jgd s MET 716 CO 0.03 -0.61 0.89 -0.51 -0.01 0.00 0.00 175.02 174.81 2jgd s LEU 717 N 1.31 4.06 -0.34 -0.03 1.43 0.87 -0.58 118.68 125.40 2jgd s LEU 717 Ca -0.04 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 2jgd s LEU 717 Cb -0.19 -3.14 0.09 0.00 0.03 0.00 0.00 46.19 42.97 2jgd s LEU 717 CO -0.00 -0.98 0.06 -0.76 0.23 0.00 0.00 176.35 174.89 2jgd s LEU 718 N 3.59 4.54 0.34 1.79 1.43 -0.24 -0.97 118.68 129.15 2jgd s LEU 718 Ca 0.35 -1.83 -0.29 0.00 -1.03 0.00 0.00 54.13 51.33 2jgd s LEU 718 Cb -0.11 -1.69 -0.11 0.00 0.03 0.00 0.00 46.19 44.31 2jgd s LEU 718 CO 0.24 -0.37 1.55 -2.65 0.23 0.00 0.00 176.35 175.35 2jgd n PRO 719 N 4.45 2.71 -3.63 1.29 -0.02 -1.26 0.34 135.00 138.88 2jgd n PRO 719 Ca -0.04 0.96 -0.12 0.00 -2.02 0.00 0.00 63.50 62.28 2jgd n PRO 719 Cb 0.42 -2.72 -0.07 0.00 -0.02 0.00 0.00 33.50 31.11 2jgd n PRO 719 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2jgd s HIS 720 N -0.59 -0.81 0.00 6.00 2.46 0.59 -0.93 115.29 122.01 2jgd s HIS 720 Ca 0.58 1.89 0.00 0.00 0.47 0.00 0.00 55.06 58.00 2jgd s HIS 720 Cb -0.48 0.35 0.00 0.00 -0.13 0.00 0.00 32.58 32.32 2jgd s HIS 720 CO 0.57 -0.39 0.00 0.41 -2.47 0.00 0.00 174.74 172.85 2jgd n GLY 721 N 2.96 3.87 3.56 1.59 0.00 -0.22 -4.42 105.19 112.53 2jgd n GLY 721 Ca -0.15 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 2jgd n GLY 721 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jgd s TYR 722 N -0.23 2.90 0.00 1.61 1.51 -1.25 -4.45 117.35 117.44 2jgd s TYR 722 Ca 0.00 0.32 0.00 0.00 -1.01 0.00 0.00 57.07 56.38 2jgd s TYR 722 Cb 0.00 -3.99 0.00 0.00 -0.11 0.00 0.00 41.96 37.86 2jgd s TYR 722 CO 0.00 -1.14 0.47 0.39 -1.11 0.00 0.00 175.55 174.16 2jgd n GLU 723 N 7.22 0.41 -0.68 -0.62 1.02 -1.26 -5.02 120.64 121.72 2jgd n GLU 723 Ca 0.06 -0.55 0.00 0.00 -0.02 0.00 0.00 57.16 56.65 2jgd n GLU 723 Cb 0.48 -0.61 0.00 0.00 -0.02 0.00 0.00 31.44 31.30 2jgd n GLU 723 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jgd n GLY 724 N -0.08 0.63 1.09 0.62 0.00 -1.26 -4.95 105.19 101.24 2jgd n GLY 724 Ca 0.00 -0.30 0.09 0.00 0.00 0.00 0.00 46.02 45.81 2jgd n GLY 724 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jgd n GLN 725 N -2.68 2.42 0.00 1.61 6.02 -1.26 -4.43 117.38 119.06 2jgd n GLN 725 Ca 0.00 -2.11 0.00 0.00 -0.01 0.00 0.00 57.00 54.88 2jgd n GLN 725 Cb 0.00 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.78 2jgd n GLN 725 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jgd n GLY 726 N 1.39 0.23 0.42 1.08 0.00 -1.26 -4.35 105.19 102.70 2jgd n GLY 726 Ca 0.20 -1.96 0.22 0.00 0.00 0.00 0.00 46.02 44.47 2jgd n GLY 726 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jgd h PRO 727 N 0.00 0.27 -0.38 1.61 0.13 -1.76 -1.68 132.00 130.20 2jgd h PRO 727 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2jgd h PRO 727 Cb 0.00 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.07 2jgd h PRO 727 CO 0.00 0.18 0.00 0.39 -0.23 0.00 0.00 178.00 178.34 2jgd n GLU 728 N -4.44 3.40 -2.09 0.86 4.71 -1.26 -4.49 120.64 117.32 2jgd n GLU 728 Ca 0.19 -2.80 0.02 0.00 -0.01 0.00 0.00 57.16 54.55 2jgd n GLU 728 Cb 0.77 -1.85 0.03 0.00 -1.01 0.00 0.00 31.44 29.38 2jgd n GLU 728 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 2jgd n HIS 729 N 0.05 0.51 0.00 -0.32 8.25 -0.64 -4.66 115.22 118.41 2jgd n HIS 729 Ca 0.22 -1.24 0.00 0.00 -0.26 0.00 0.00 57.72 56.44 2jgd n HIS 729 Cb 0.89 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.86 2jgd n HIS 729 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2jgd n SER 730 N -0.03 0.55 -3.98 0.41 7.64 -1.18 -4.61 113.62 112.41 2jgd n SER 730 Ca 0.05 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.65 2jgd n SER 730 Cb 0.98 0.01 -0.17 0.00 -1.01 0.00 0.00 64.21 64.02 2jgd n SER 730 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2jgd s SER 731 N -2.93 2.39 0.00 6.43 0.15 -1.26 -1.06 113.70 117.41 2jgd s SER 731 Ca 0.00 -0.39 0.24 0.00 0.70 0.00 0.00 55.95 56.50 2jgd s SER 731 Cb 0.00 -1.01 1.41 0.00 -1.71 0.00 0.00 66.02 64.71 2jgd s SER 731 CO 0.00 -0.06 1.79 0.00 1.20 0.00 0.00 173.24 176.16 2jgd n ALA 732 N 4.69 2.38 -3.51 5.45 0.00 -1.26 -2.36 120.51 125.90 2jgd n ALA 732 Ca -0.16 -0.15 -0.19 0.00 0.00 0.00 0.00 53.44 52.95 2jgd n ALA 732 Cb 0.50 -1.39 0.08 0.00 0.00 0.00 0.00 19.45 18.64 2jgd n ALA 732 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jgd n ARG 733 N -1.01 -6.32 -0.27 0.00 1.74 -1.26 -4.69 116.66 104.85 2jgd n ARG 733 Ca 0.18 0.79 0.14 0.00 -0.77 0.00 0.00 57.85 58.19 2jgd n ARG 733 Cb 0.09 -5.71 0.28 0.00 -1.02 0.00 0.00 32.46 26.09 2jgd n ARG 733 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2jgd n LEU 734 N -4.22 -0.02 0.20 0.55 7.94 -1.26 -0.12 117.00 120.07 2jgd n LEU 734 Ca -0.27 1.33 0.04 0.00 -1.11 0.00 0.00 56.01 56.00 2jgd n LEU 734 Cb 0.66 -0.52 0.41 0.00 0.53 0.00 0.00 43.42 44.51 2jgd n LEU 734 CO 0.63 -1.37 0.76 1.05 -1.11 0.00 0.00 177.39 177.35 2jgd h GLU 735 N 0.00 0.00 -0.36 1.96 9.09 -1.90 -1.37 114.58 122.00 2jgd h GLU 735 Ca 0.51 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.79 2jgd h GLU 735 Cb 1.14 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.23 2jgd h GLU 735 CO -0.71 0.33 -0.31 -0.09 0.05 0.00 0.00 179.01 178.28 2jgd h ARG 736 N 0.00 0.78 -0.26 1.06 2.43 -0.85 -1.88 114.38 115.66 2jgd h ARG 736 Ca -0.00 -0.36 -0.11 0.00 -0.81 0.00 0.00 59.98 58.70 2jgd h ARG 736 Cb 0.62 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2jgd h ARG 736 CO 0.04 0.99 -0.29 1.88 -1.51 0.00 0.00 179.97 181.08 2jgd h TYR 737 N 0.66 0.59 -0.40 2.20 -1.99 -1.34 -2.87 116.97 113.82 2jgd h TYR 737 Ca 0.07 -0.14 -0.09 0.00 2.00 0.00 0.00 58.73 60.58 2jgd h TYR 737 Cb 0.84 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 39.42 2jgd h TYR 737 CO 0.05 0.75 -0.11 -0.07 -0.00 0.00 0.00 178.16 178.78 2jgd h LEU 738 N 0.45 0.79 -1.83 3.88 3.38 -0.99 -2.63 115.31 118.36 2jgd h LEU 738 Ca 0.06 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 2jgd h LEU 738 Cb 0.73 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 2jgd h LEU 738 CO 0.06 0.98 -0.14 0.06 0.09 0.00 0.00 178.44 179.48 2jgd h GLN 739 N 0.60 0.00 0.00 1.13 3.07 -1.36 -1.04 115.11 117.50 2jgd h GLN 739 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.84 2jgd h GLN 739 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.20 2jgd h GLN 739 CO 0.04 0.14 0.00 1.28 0.09 0.00 0.00 178.83 180.39 2jgd n LEU 740 N -3.95 0.44 -4.73 0.06 4.77 -1.02 -4.84 117.00 107.73 2jgd n LEU 740 Ca -0.02 0.56 -0.41 0.00 -0.03 0.00 0.00 56.01 56.11 2jgd n LEU 740 Cb 0.23 -0.45 -0.05 0.00 -2.33 0.00 0.00 43.42 40.83 2jgd n LEU 740 CO 0.33 -0.22 0.67 0.00 -1.33 0.00 0.00 177.39 176.84 2jgd n ALA 742 N 2.51 0.00 -2.36 0.00 0.00 -1.26 -4.98 120.51 114.41 2jgd n ALA 742 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.28 2jgd n ALA 742 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 2jgd n ALA 742 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jgd n GLU 743 N -0.02 -1.88 -1.99 0.00 1.02 -1.26 -1.74 120.64 114.77 2jgd n GLU 743 Ca 0.00 0.85 -0.10 0.00 -0.02 0.00 0.00 57.16 57.89 2jgd n GLU 743 Cb 0.00 -5.47 -0.01 0.00 -0.02 0.00 0.00 31.44 25.94 2jgd n GLU 743 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2jgd n GLN 744 N -2.88 -0.77 0.03 3.49 1.13 -1.26 -4.91 117.38 112.22 2jgd n GLN 744 Ca -0.20 0.56 -0.11 0.00 -1.94 0.00 0.00 57.00 55.31 2jgd n GLN 744 Cb 0.65 -4.59 0.02 0.00 0.11 0.00 0.00 30.24 26.43 2jgd n GLN 744 CO 0.00 0.00 0.00 -2.95 -1.44 0.00 0.00 177.06 172.67 2jgd h ASN 745 N 0.00 0.59 -5.05 1.08 -1.07 -1.68 -3.47 115.58 105.98 2jgd h ASN 745 Ca -0.23 -0.37 -0.25 0.00 0.07 0.00 0.00 56.30 55.52 2jgd h ASN 745 Cb 1.06 -0.17 -0.15 0.00 -2.07 0.00 0.00 38.32 36.99 2jgd h ASN 745 CO 0.28 1.11 -0.64 -0.04 0.07 0.00 0.00 177.43 178.22 2jgd s MET 746 N -3.71 1.11 -0.08 4.14 -1.94 -1.26 -4.31 119.30 113.25 2jgd s MET 746 Ca -0.07 -1.56 0.03 0.00 -1.71 0.00 0.00 55.69 52.38 2jgd s MET 746 Cb 0.10 0.02 -0.02 0.00 2.01 0.00 0.00 34.83 36.95 2jgd s MET 746 CO 0.85 -0.26 -0.16 -0.65 -0.01 0.00 0.00 175.02 174.79 2jgd s GLN 747 N -4.03 2.84 -0.22 2.03 -0.21 0.07 -3.88 119.66 116.26 2jgd s GLN 747 Ca 0.29 -0.74 0.01 0.00 0.02 0.00 0.00 55.36 54.94 2jgd s GLN 747 Cb 0.07 -2.42 0.03 0.00 1.00 0.00 0.00 33.01 31.69 2jgd s GLN 747 CO 0.06 0.42 -0.15 0.08 -2.12 0.00 0.00 175.29 173.58 2jgd s VAL 748 N -0.20 2.24 0.06 1.09 1.01 0.17 -0.40 120.40 124.38 2jgd s VAL 748 Ca -0.00 -1.16 0.09 0.00 0.00 0.00 0.00 61.98 60.90 2jgd s VAL 748 Cb -0.13 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 2jgd s VAL 748 CO 0.03 0.31 -0.24 0.00 0.00 0.00 0.00 175.10 175.20 2jgd s VAL 750 N -0.88 1.81 0.23 0.00 1.01 0.25 -1.45 120.40 121.37 2jgd s VAL 750 Ca 0.10 -3.30 -0.30 0.00 0.00 0.00 0.00 61.98 58.49 2jgd s VAL 750 Cb -0.10 -2.22 -0.09 0.00 0.00 0.00 0.00 36.38 33.98 2jgd s VAL 750 CO 0.03 -1.01 1.18 -2.16 0.00 0.00 0.00 175.10 173.13 2jgd s PRO 751 N -0.47 4.53 0.00 2.72 0.04 -1.26 -4.21 135.00 136.35 2jgd s PRO 751 Ca 0.24 1.89 0.19 0.00 0.04 0.00 0.00 61.00 63.36 2jgd s PRO 751 Cb -0.10 -3.20 -0.06 0.00 0.04 0.00 0.00 34.50 31.17 2jgd s PRO 751 CO -0.11 -0.00 0.90 -1.13 0.04 0.00 0.00 177.00 176.70 2jgd n SER 752 N 1.89 1.53 -4.10 6.66 3.41 -1.26 -4.82 113.62 116.92 2jgd n SER 752 Ca 0.02 -1.26 -0.11 0.00 -0.26 0.00 0.00 58.87 57.26 2jgd n SER 752 Cb 0.44 0.63 -0.11 0.00 -0.26 0.00 0.00 64.21 64.91 2jgd n SER 752 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2jgd s THR 753 N -2.31 0.51 0.24 6.66 2.01 -1.26 -4.89 115.64 116.59 2jgd s THR 753 Ca 0.13 -1.50 -0.05 0.00 0.31 0.00 0.00 61.69 60.58 2jgd s THR 753 Cb 0.15 -1.12 0.20 0.00 0.01 0.00 0.00 72.50 71.73 2jgd s THR 753 CO 0.55 -0.67 1.76 -0.65 -0.69 0.00 0.00 174.62 174.92 2jgd h PRO 754 N 3.73 0.52 -0.43 4.92 0.11 -1.88 -0.82 132.00 138.14 2jgd h PRO 754 Ca -0.35 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2jgd h PRO 754 Cb 1.18 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 2jgd h PRO 754 CO 0.54 0.34 0.28 0.00 -0.21 0.00 0.00 178.00 178.94 2jgd h ALA 755 N 1.48 0.55 -0.26 -0.75 0.00 -1.92 -1.13 119.26 117.24 2jgd h ALA 755 Ca 0.38 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.29 2jgd h ALA 755 Cb 0.49 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2jgd h ALA 755 CO -0.33 0.02 -0.01 1.96 0.00 0.00 0.00 179.25 180.89 2jgd h GLN 756 N 0.58 0.07 -0.67 0.00 1.08 -1.80 0.19 115.11 114.55 2jgd h GLN 756 Ca 0.16 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 2jgd h GLN 756 Cb -0.04 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.34 2jgd h GLN 756 CO -0.03 0.04 0.44 -0.24 -0.95 0.00 0.00 178.83 178.09 2jgd h VAL 757 N 0.07 1.18 -0.16 -0.54 3.04 -0.81 0.41 116.25 119.43 2jgd h VAL 757 Ca 0.12 -0.33 -0.08 0.00 -1.01 0.00 0.00 66.70 65.40 2jgd h VAL 757 Cb 0.16 0.19 -0.00 0.00 -2.01 0.00 0.00 31.29 29.63 2jgd h VAL 757 CO -0.21 0.17 -0.20 0.22 -1.01 0.00 0.00 177.57 176.54 2jgd h TYR 758 N 0.91 0.51 -0.22 3.17 3.20 0.09 -1.85 116.97 122.78 2jgd h TYR 758 Ca 0.25 -0.16 -0.17 0.00 3.14 0.00 0.00 58.73 61.78 2jgd h TYR 758 Cb -0.09 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.07 2jgd h TYR 758 CO 0.00 0.82 -0.55 0.45 -1.64 0.00 0.00 178.16 177.24 2jgd h HIS 759 N 0.05 0.84 -0.45 -3.82 3.86 -0.46 -2.58 115.15 112.60 2jgd h HIS 759 Ca 0.02 -0.30 0.04 0.00 -1.16 0.00 0.00 60.37 58.97 2jgd h HIS 759 Cb 0.75 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 29.02 2jgd h HIS 759 CO 0.09 1.07 0.22 1.98 0.86 0.00 0.00 177.93 182.15 2jgd h MET 760 N 0.51 0.43 -0.18 2.45 1.85 -0.05 0.19 114.93 120.14 2jgd h MET 760 Ca 0.01 -0.03 -0.16 0.00 -0.61 0.00 0.00 59.70 58.91 2jgd h MET 760 Cb 1.12 -0.10 0.00 0.00 0.43 0.00 0.00 31.60 33.06 2jgd h MET 760 CO 0.11 0.28 -0.51 -0.07 -0.40 0.00 0.00 176.91 176.32 2jgd h LEU 761 N 0.44 0.76 -0.53 3.39 3.38 -1.34 -2.12 115.31 119.30 2jgd h LEU 761 Ca 0.20 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 2jgd h LEU 761 Cb 0.11 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2jgd h LEU 761 CO -0.14 1.21 0.29 0.03 0.09 0.00 0.00 178.44 179.92 2jgd h ARG 762 N 0.35 0.73 -0.36 1.13 3.08 -1.22 -2.27 114.38 115.82 2jgd h ARG 762 Ca -0.01 -0.09 0.07 0.00 0.07 0.00 0.00 59.98 60.02 2jgd h ARG 762 Cb 1.13 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.97 2jgd h ARG 762 CO 0.11 0.57 -0.04 -0.09 -1.07 0.00 0.00 179.97 179.45 2jgd h ARG 763 N 0.70 0.05 -0.91 0.04 2.43 -0.48 0.31 114.38 116.52 2jgd h ARG 763 Ca 0.18 -0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.48 2jgd h ARG 763 Cb 0.05 -0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.50 2jgd h ARG 763 CO -0.03 0.03 0.53 0.37 -1.51 0.00 0.00 179.97 179.37 2jgd h GLN 764 N 0.05 0.79 0.13 0.20 5.75 -0.97 -2.18 115.11 118.88 2jgd h GLN 764 Ca 0.18 -0.05 -0.28 0.00 -0.15 0.00 0.00 58.65 58.35 2jgd h GLN 764 Cb 0.26 -0.18 0.02 0.00 1.07 0.00 0.00 27.48 28.65 2jgd h GLN 764 CO -0.33 0.53 -1.23 0.00 -2.65 0.00 0.00 178.83 175.14 2jgd h ALA 765 N 1.53 0.07 -0.00 3.38 0.00 -0.65 -3.37 119.26 120.22 2jgd h ALA 765 Ca 0.47 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2jgd h ALA 765 Cb 0.53 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2jgd h ALA 765 CO -0.29 0.83 -0.44 1.28 0.00 0.00 0.00 179.25 180.62 2jgd n LEU 766 N -3.67 0.86 -1.61 0.00 4.77 0.96 -4.55 117.00 113.76 2jgd n LEU 766 Ca -0.11 -0.20 -0.13 0.00 -0.03 0.00 0.00 56.01 55.54 2jgd n LEU 766 Cb 1.00 -0.16 0.08 0.00 -2.33 0.00 0.00 43.42 42.01 2jgd n LEU 766 CO 0.56 0.18 0.22 -1.14 -1.33 0.00 0.00 177.39 175.88 2jgd n ARG 767 N -1.05 2.79 0.00 3.23 0.00 -0.90 -4.76 116.66 115.97 2jgd n ARG 767 Ca 0.08 -3.81 0.00 0.00 -0.00 0.00 0.00 57.85 54.13 2jgd n ARG 767 Cb 0.35 -1.98 0.00 0.00 0.00 0.00 0.00 32.46 30.83 2jgd n ARG 767 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2jgd n GLY 768 N -0.80 2.23 3.40 5.14 0.00 -1.26 -4.89 105.19 109.01 2jgd n GLY 768 Ca 0.33 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 2jgd n GLY 768 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2jgd n MET 769 N 0.00 0.37 -3.54 1.61 0.00 -1.26 -4.67 117.12 109.62 2jgd n MET 769 Ca 0.00 0.14 -0.29 0.00 0.00 0.00 0.00 57.70 57.55 2jgd n MET 769 Cb 0.00 -1.39 -0.13 0.00 0.00 0.00 0.00 33.22 31.70 2jgd n MET 769 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 2jgd s ARG 770 N -1.53 0.72 -0.01 2.12 1.81 -1.26 -4.95 118.95 115.86 2jgd s ARG 770 Ca 0.63 -1.44 -0.04 0.00 -1.72 0.00 0.00 55.73 53.15 2jgd s ARG 770 Cb -0.54 -1.58 -0.00 0.00 -0.45 0.00 0.00 34.95 32.37 2jgd s ARG 770 CO 0.59 -1.18 0.08 1.03 -0.68 0.00 0.00 175.30 175.15 2jgd s ARG 771 N 0.97 0.31 0.30 3.54 0.52 -0.60 -1.74 118.95 122.25 2jgd s ARG 771 Ca 0.17 -0.27 -0.29 0.00 -0.52 0.00 0.00 55.73 54.82 2jgd s ARG 771 Cb -0.23 0.13 -0.13 0.00 0.52 0.00 0.00 34.95 35.24 2jgd s ARG 771 CO -0.02 -0.06 1.28 -2.30 0.02 0.00 0.00 175.30 174.21 2jgd n PRO 772 N 2.03 1.96 -3.78 3.54 -0.02 -0.45 -4.49 135.00 133.79 2jgd n PRO 772 Ca -0.19 0.69 -0.37 0.00 -2.02 0.00 0.00 63.50 61.61 2jgd n PRO 772 Cb 0.57 -2.26 -0.12 0.00 -0.02 0.00 0.00 33.50 31.67 2jgd n PRO 772 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2jgd s LEU 773 N -0.45 4.66 -0.31 2.45 2.96 0.01 -0.75 118.68 127.26 2jgd s LEU 773 Ca 0.60 -1.55 -0.21 0.00 -0.22 0.00 0.00 54.13 52.75 2jgd s LEU 773 Cb -0.62 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.24 2jgd s LEU 773 CO 0.58 -0.42 0.65 -0.69 -1.32 0.00 0.00 176.35 175.15 2jgd s VAL 774 N 1.27 4.92 -0.21 1.68 1.01 0.47 -0.03 120.40 129.50 2jgd s VAL 774 Ca 0.02 0.89 -0.02 0.00 0.00 0.00 0.00 61.98 62.87 2jgd s VAL 774 Cb -0.21 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.15 2jgd s VAL 774 CO -0.01 -0.15 -0.09 -0.69 0.00 0.00 0.00 175.10 174.15 2jgd s VAL 775 N 2.65 2.91 -0.69 2.92 1.01 0.25 -0.88 120.40 128.57 2jgd s VAL 775 Ca 0.26 -0.70 -0.26 0.00 0.00 0.00 0.00 61.98 61.28 2jgd s VAL 775 Cb -0.15 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 2jgd s VAL 775 CO 0.12 0.43 1.84 -0.04 0.00 0.00 0.00 175.10 177.45 2jgd s MET 776 N 1.40 2.66 0.21 2.72 -1.94 -0.53 -1.08 119.30 122.74 2jgd s MET 776 Ca 0.05 0.34 -0.13 0.00 -1.71 0.00 0.00 55.69 54.24 2jgd s MET 776 Cb -0.14 -4.54 -0.07 0.00 2.01 0.00 0.00 34.83 32.09 2jgd s MET 776 CO -0.06 -2.83 0.58 0.45 -0.01 0.00 0.00 175.02 173.14 2jgd s SER 777 N 7.80 6.75 0.42 3.03 0.15 0.15 -4.35 113.70 127.65 2jgd s SER 777 Ca 0.66 1.05 -0.04 0.00 0.70 0.00 0.00 55.95 58.32 2jgd s SER 777 Cb -0.11 -2.28 -0.04 0.00 -1.71 0.00 0.00 66.02 61.88 2jgd s SER 777 CO 0.15 -0.01 0.70 -2.16 1.20 0.00 0.00 173.24 173.12 2jgd s PRO 778 N -2.44 3.57 0.01 5.44 0.04 -1.26 -0.30 135.00 140.06 2jgd s PRO 778 Ca 0.44 0.09 -0.04 0.00 0.04 0.00 0.00 61.00 61.53 2jgd s PRO 778 Cb -0.13 -2.48 -0.01 0.00 0.04 0.00 0.00 34.50 31.92 2jgd s PRO 778 CO 0.20 -0.05 -0.07 1.63 0.04 0.00 0.00 177.00 178.74 2jgd n LYS 779 N -1.87 0.11 0.12 4.56 5.02 -1.26 -4.72 118.16 120.11 2jgd n LYS 779 Ca -0.01 0.04 -0.01 0.00 -2.02 0.00 0.00 58.31 56.31 2jgd n LYS 779 Cb 0.55 -0.57 0.10 0.00 -0.02 0.00 0.00 35.03 35.09 2jgd n LYS 779 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2jgd h SER 780 N -0.21 0.00 -0.03 4.39 4.64 -1.95 -2.97 113.55 117.41 2jgd h SER 780 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2jgd h SER 780 Cb 0.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2jgd h SER 780 CO 0.00 0.68 0.05 -0.07 -0.87 0.00 0.00 176.83 176.62 2jgd h LEU 781 N 0.00 0.00 -1.29 5.97 3.38 -1.96 -1.49 115.31 119.92 2jgd h LEU 781 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jgd h LEU 781 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2jgd h LEU 781 CO 0.09 0.00 0.35 -0.07 0.09 0.00 0.00 178.44 178.90 2jgd h LEU 782 N 0.00 0.00 -2.08 1.67 3.38 -1.81 -2.45 115.31 114.02 2jgd h LEU 782 Ca 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2jgd h LEU 782 Cb 0.11 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.78 2jgd h LEU 782 CO -0.00 0.00 -0.54 0.54 0.09 0.00 0.00 178.44 178.53 2jgd n ARG 783 N -2.42 0.00 -2.70 1.13 1.74 -0.57 -4.40 116.66 109.44 2jgd n ARG 783 Ca -0.01 -1.08 -0.41 0.00 -0.77 0.00 0.00 57.85 55.58 2jgd n ARG 783 Cb 0.38 -0.32 -0.05 0.00 -1.02 0.00 0.00 32.46 31.46 2jgd n ARG 783 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2jgd s HIS 784 N 0.00 3.81 -0.16 -1.55 2.46 -0.92 -4.93 115.29 114.00 2jgd s HIS 784 Ca 0.07 1.79 0.30 0.00 0.47 0.00 0.00 55.06 57.68 2jgd s HIS 784 Cb 0.07 -3.08 1.14 0.00 -0.13 0.00 0.00 32.58 30.59 2jgd s HIS 784 CO -0.03 0.13 1.86 -1.00 -2.47 0.00 0.00 174.74 173.23 2jgd h PRO 785 N 5.34 0.00 0.00 2.88 0.13 -1.93 -2.28 132.00 136.14 2jgd h PRO 785 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2jgd h PRO 785 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2jgd h PRO 785 CO 0.71 0.00 -0.80 -0.07 -0.23 0.00 0.00 178.00 177.62 2jgd h LEU 786 N 0.00 0.00 -7.84 1.56 3.38 -1.96 -3.44 115.31 107.01 2jgd h LEU 786 Ca 0.00 -0.17 -0.69 0.00 0.09 0.00 0.00 57.88 57.11 2jgd h LEU 786 Cb 0.53 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.16 2jgd h LEU 786 CO 0.00 0.08 1.83 0.00 0.09 0.00 0.00 178.44 180.45 2jgd s ALA 787 N -3.23 3.49 -0.14 1.53 0.00 -0.86 -4.90 121.76 117.65 2jgd s ALA 787 Ca 0.04 -3.00 -0.26 0.00 0.00 0.00 0.00 51.96 48.74 2jgd s ALA 787 Cb 0.12 -4.45 0.06 0.00 0.00 0.00 0.00 23.12 18.85 2jgd s ALA 787 CO 0.75 -3.15 0.64 0.08 0.00 0.00 0.00 175.76 174.09 2jgd s VAL 788 N 3.40 0.00 -0.02 0.00 1.01 -1.26 -4.59 120.40 118.95 2jgd s VAL 788 Ca 0.49 -0.04 -0.10 0.00 0.00 0.00 0.00 61.98 62.33 2jgd s VAL 788 Cb 0.01 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.48 2jgd s VAL 788 CO 0.03 -0.02 0.23 -0.44 0.00 0.00 0.00 175.10 174.90 2jgd s SER 789 N -0.49 -0.12 0.33 3.32 0.01 -0.62 -4.84 113.70 111.29 2jgd s SER 789 Ca -0.06 0.05 0.04 0.00 1.31 0.00 0.00 55.95 57.29 2jgd s SER 789 Cb -0.03 0.31 -0.02 0.00 0.21 0.00 0.00 66.02 66.50 2jgd s SER 789 CO 0.05 -0.34 0.49 -0.94 0.41 0.00 0.00 173.24 172.91 2jgd s SER 790 N -1.04 6.09 0.35 2.44 1.04 -1.26 -0.60 113.70 120.72 2jgd s SER 790 Ca -0.11 0.07 0.04 0.00 0.48 0.00 0.00 55.95 56.43 2jgd s SER 790 Cb -0.05 -1.58 0.69 0.00 0.10 0.00 0.00 66.02 65.17 2jgd s SER 790 CO 0.02 -0.36 1.95 -0.07 0.98 0.00 0.00 173.24 175.77 2jgd h LEU 791 N 0.86 0.72 -0.48 2.42 3.38 -1.94 -0.80 115.31 119.47 2jgd h LEU 791 Ca -0.48 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.42 2jgd h LEU 791 Cb 1.24 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 2jgd h LEU 791 CO 0.57 0.47 0.02 -0.08 0.09 0.00 0.00 178.44 179.51 2jgd h GLU 792 N 0.82 0.83 -0.68 1.13 4.57 -1.98 0.31 114.58 119.58 2jgd h GLU 792 Ca 0.32 -0.26 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 2jgd h GLU 792 Cb 0.21 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 2jgd h GLU 792 CO -0.11 0.87 0.36 0.93 -1.18 0.00 0.00 179.01 179.88 2jgd h GLU 793 N 0.69 0.94 0.29 1.92 5.08 -1.72 -1.69 114.58 120.09 2jgd h GLU 793 Ca 0.14 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2jgd h GLU 793 Cb 0.48 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2jgd h GLU 793 CO 0.02 0.70 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.52 2jgd h LEU 794 N 0.95 -0.33 -0.40 1.33 3.38 -0.42 -2.61 115.31 117.21 2jgd h LEU 794 Ca 0.24 -0.20 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 2jgd h LEU 794 Cb 0.05 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2jgd h LEU 794 CO -0.04 0.14 -0.46 0.00 0.09 0.00 0.00 178.44 178.17 2jgd h ALA 795 N -0.54 0.58 -0.23 1.53 0.00 -0.40 -3.27 119.26 116.93 2jgd h ALA 795 Ca -0.04 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2jgd h ALA 795 Cb 0.51 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2jgd h ALA 795 CO 0.07 0.68 0.00 0.09 0.00 0.00 0.00 179.25 180.08 2jgd n ASN 796 N -4.03 2.58 -2.49 0.00 3.02 -0.64 -1.09 115.26 112.61 2jgd n ASN 796 Ca -0.03 -1.80 -0.05 0.00 -0.03 0.00 0.00 54.58 52.68 2jgd n ASN 796 Cb 0.58 -0.15 0.03 0.00 -0.61 0.00 0.00 39.78 39.62 2jgd n ASN 796 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jgd n GLY 797 N 0.62 0.56 3.67 7.41 0.00 -0.98 -4.92 105.19 111.54 2jgd n GLY 797 Ca 0.10 -1.94 -0.08 0.00 0.00 0.00 0.00 46.02 44.10 2jgd n GLY 797 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jgd s THR 798 N -0.53 0.00 0.06 2.61 -1.32 -1.26 -4.46 115.64 110.74 2jgd s THR 798 Ca 0.13 -1.27 -0.31 0.00 -1.21 0.00 0.00 61.69 59.04 2jgd s THR 798 Cb -0.01 -2.13 -0.07 0.00 -1.51 0.00 0.00 72.50 68.79 2jgd s THR 798 CO 0.09 -0.00 1.45 0.12 -2.21 0.00 0.00 174.62 174.06 2jgd s PHE 799 N -3.98 2.94 -0.39 9.09 2.19 -1.26 -4.91 117.98 121.66 2jgd s PHE 799 Ca 0.19 0.78 -0.08 0.00 0.33 0.00 0.00 56.93 58.15 2jgd s PHE 799 Cb -0.02 -3.73 0.06 0.00 -1.31 0.00 0.00 43.02 38.02 2jgd s PHE 799 CO 0.08 -2.70 0.19 -0.51 1.83 0.00 0.00 175.22 174.12 2jgd s LEU 800 N 1.88 4.83 0.45 6.12 1.43 -1.26 -4.95 118.68 127.18 2jgd s LEU 800 Ca 0.66 -1.39 0.22 0.00 -1.03 0.00 0.00 54.13 52.59 2jgd s LEU 800 Cb -0.35 -1.93 1.21 0.00 0.03 0.00 0.00 46.19 45.14 2jgd s LEU 800 CO 0.29 -0.45 1.86 -0.65 0.23 0.00 0.00 176.35 177.63 2jgd h PRO 801 N 8.31 0.28 -4.36 1.29 0.11 -1.95 -3.42 132.00 132.26 2jgd h PRO 801 Ca -0.22 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.67 2jgd h PRO 801 Cb 1.08 -0.06 -0.18 0.00 0.11 0.00 0.00 31.00 31.95 2jgd h PRO 801 CO 0.69 0.18 -0.70 0.00 -0.21 0.00 0.00 178.00 177.96 2jgd s ALA 802 N -5.30 0.54 -0.09 -0.75 0.00 -1.26 -0.45 121.76 114.44 2jgd s ALA 802 Ca -0.07 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 50.94 2jgd s ALA 802 Cb 0.23 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.51 2jgd s ALA 802 CO 0.78 -0.19 -0.16 0.42 0.00 0.00 0.00 175.76 176.61 2jgd s ILE 803 N -2.57 1.47 1.02 0.00 1.01 -0.32 -4.94 121.20 116.87 2jgd s ILE 803 Ca -0.02 -0.65 -0.17 0.00 0.00 0.00 0.00 60.65 59.81 2jgd s ILE 803 Cb -0.02 -1.33 0.24 0.00 0.01 0.00 0.00 42.46 41.36 2jgd s ILE 803 CO -0.04 0.43 1.34 -0.83 0.00 0.00 0.00 174.94 175.84 2jgd s GLY 804 N 0.79 1.81 0.08 6.18 0.00 -1.26 -1.54 107.32 113.38 2jgd s GLY 804 Ca -0.11 -1.32 -0.32 0.00 0.00 0.00 0.00 44.72 42.97 2jgd s GLY 804 CO 0.02 -0.47 1.82 -2.21 0.00 0.00 0.00 173.10 172.25 2jgd n GLU 805 N -3.96 2.56 0.09 2.90 4.07 -1.26 -4.75 120.64 120.29 2jgd n GLU 805 Ca 0.17 0.93 0.12 0.00 -0.06 0.00 0.00 57.16 58.32 2jgd n GLU 805 Cb 0.59 -2.80 0.11 0.00 -0.06 0.00 0.00 31.44 29.28 2jgd n GLU 805 CO 0.00 0.00 0.00 -0.84 -0.06 0.00 0.00 177.13 176.23 2jgd h ILE 806 N 4.73 0.00 -2.51 6.31 3.07 -1.93 -3.47 117.51 123.71 2jgd h ILE 806 Ca -0.47 -0.71 -0.52 0.00 1.55 0.00 0.00 64.86 64.72 2jgd h ILE 806 Cb 1.24 1.28 -0.02 0.00 -0.27 0.00 0.00 36.82 39.05 2jgd h ILE 806 CO 0.94 0.00 -0.42 -1.81 -1.05 0.00 0.00 178.15 175.80 2jgd s ASP 807 N -4.76 6.34 -0.27 2.16 1.01 -1.26 -5.04 116.67 114.84 2jgd s ASP 807 Ca 0.04 0.19 -0.29 0.00 0.71 0.00 0.00 52.55 53.20 2jgd s ASP 807 Cb 0.11 -1.92 -0.02 0.00 1.01 0.00 0.00 42.92 42.10 2jgd s ASP 807 CO 0.74 -0.01 1.71 -1.83 0.21 0.00 0.00 175.17 176.00 2jgd s GLU 808 N -3.49 3.57 0.03 8.23 1.03 -1.26 -5.00 118.70 121.82 2jgd s GLU 808 Ca 0.35 1.57 0.08 0.00 0.03 0.00 0.00 54.97 57.00 2jgd s GLU 808 Cb -0.10 -4.12 -0.03 0.00 -0.80 0.00 0.00 34.13 29.08 2jgd s GLU 808 CO 0.29 -1.57 -0.24 -0.51 -1.33 0.00 0.00 175.26 171.90 2jgd s LEU 809 N 6.02 2.14 -0.27 1.83 1.43 -1.26 -5.07 118.68 123.50 2jgd s LEU 809 Ca 0.76 -0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 53.04 2jgd s LEU 809 Cb -0.24 -1.19 -0.02 0.00 0.03 0.00 0.00 46.19 44.76 2jgd s LEU 809 CO 0.32 0.24 1.73 -0.62 0.23 0.00 0.00 176.35 178.25 2jgd s ASP 810 N -1.06 6.11 0.54 2.29 2.15 -1.26 -4.86 116.67 120.59 2jgd s ASP 810 Ca 0.10 1.49 0.27 0.00 0.43 0.00 0.00 52.55 54.84 2jgd s ASP 810 Cb -0.09 -2.53 1.57 0.00 -0.30 0.00 0.00 42.92 41.57 2jgd s ASP 810 CO 0.01 -1.50 2.14 -0.65 -0.17 0.00 0.00 175.17 175.01 2jgd h PRO 811 N 11.90 0.00 0.00 4.34 0.11 -1.93 0.28 132.00 146.69 2jgd h PRO 811 Ca -0.34 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.75 2jgd h PRO 811 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2jgd h PRO 811 CO 1.01 0.07 -0.07 0.87 -0.21 0.00 0.00 178.00 179.68 2jgd h LYS 812 N 0.00 0.00 -0.10 1.05 6.56 -1.92 -2.48 116.57 119.68 2jgd h LYS 812 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2jgd h LYS 812 Cb 0.20 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.86 2jgd h LYS 812 CO 0.01 0.07 0.00 0.41 -2.06 0.00 0.00 179.45 177.88 2jgd n GLY 813 N -0.11 0.57 3.63 3.86 0.00 0.96 -4.92 105.19 109.18 2jgd n GLY 813 Ca -0.00 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 2jgd n GLY 813 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jgd s VAL 814 N -1.89 4.98 -1.22 1.61 1.01 -0.94 -4.40 120.40 119.56 2jgd s VAL 814 Ca 0.34 1.14 0.18 0.00 0.00 0.00 0.00 61.98 63.64 2jgd s VAL 814 Cb 0.20 -3.94 -0.10 0.00 0.00 0.00 0.00 36.38 32.54 2jgd s VAL 814 CO 0.31 0.03 0.83 0.29 0.00 0.00 0.00 175.10 176.55 2jgd n LYS 815 N 5.70 1.42 -3.65 2.72 5.02 -0.29 -4.81 118.16 124.27 2jgd n LYS 815 Ca -0.00 -0.41 -0.10 0.00 -2.02 0.00 0.00 58.31 55.77 2jgd n LYS 815 Cb 0.49 -1.33 -0.08 0.00 -0.02 0.00 0.00 35.03 34.09 2jgd n LYS 815 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2jgd s ARG 816 N -2.37 0.67 -0.20 1.97 3.52 -1.18 -4.26 118.95 117.10 2jgd s ARG 816 Ca 0.11 1.04 -0.05 0.00 -0.13 0.00 0.00 55.73 56.70 2jgd s ARG 816 Cb 0.14 0.19 -0.03 0.00 -1.56 0.00 0.00 34.95 33.70 2jgd s ARG 816 CO 0.59 -0.13 0.00 0.08 -0.81 0.00 0.00 175.30 175.03 2jgd s VAL 817 N 1.15 4.01 -0.15 7.11 1.01 -0.71 -0.99 120.40 131.83 2jgd s VAL 817 Ca -0.06 -0.29 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 2jgd s VAL 817 Cb -0.05 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.47 2jgd s VAL 817 CO -0.12 0.43 0.23 -0.69 0.00 0.00 0.00 175.10 174.95 2jgd s VAL 818 N 0.96 5.34 0.05 2.92 1.01 0.16 -0.58 120.40 130.28 2jgd s VAL 818 Ca 0.02 0.42 0.06 0.00 0.00 0.00 0.00 61.98 62.48 2jgd s VAL 818 Cb -0.14 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 2jgd s VAL 818 CO 0.02 0.47 -0.14 -0.04 0.00 0.00 0.00 175.10 175.41 2jgd s MET 819 N -0.02 2.15 0.22 2.72 -1.94 0.76 0.12 119.30 123.31 2jgd s MET 819 Ca 0.15 -0.96 -0.22 0.00 -1.71 0.00 0.00 55.69 52.95 2jgd s MET 819 Cb -0.13 -2.27 0.06 0.00 2.01 0.00 0.00 34.83 34.51 2jgd s MET 819 CO 0.03 0.54 0.93 0.00 -0.01 0.00 0.00 175.02 176.51 2jgd s SER 821 N -3.12 0.90 0.03 0.00 0.01 -1.26 -0.40 113.70 109.85 2jgd s SER 821 Ca 0.16 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.10 2jgd s SER 821 Cb -0.03 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.16 2jgd s SER 821 CO 0.06 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.28 2jgd n GLY 822 N 2.25 -0.81 0.28 3.44 0.00 -1.26 -4.22 105.19 104.88 2jgd n GLY 822 Ca -0.17 -1.18 0.05 0.00 0.00 0.00 0.00 46.02 44.72 2jgd n GLY 822 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jgd h LYS 823 N 0.00 0.30 -0.04 1.61 2.10 -1.94 -0.93 116.57 117.66 2jgd h LYS 823 Ca 0.00 -0.02 0.01 0.00 -2.00 0.00 0.00 60.65 58.64 2jgd h LYS 823 Cb 0.00 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 31.26 2jgd h LYS 823 CO 0.00 0.23 0.06 -0.24 -2.00 0.00 0.00 179.45 177.50 2jgd h VAL 824 N 0.30 0.40 -0.40 0.07 3.04 -1.99 0.08 116.25 117.76 2jgd h VAL 824 Ca 0.08 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 65.85 2jgd h VAL 824 Cb 0.02 0.95 -0.09 0.00 -2.01 0.00 0.00 31.29 30.16 2jgd h VAL 824 CO -0.01 0.00 -0.19 0.22 -1.01 0.00 0.00 177.57 176.57 2jgd h TYR 825 N 0.00 -0.49 -0.43 3.17 5.03 -1.39 -1.33 116.97 121.52 2jgd h TYR 825 Ca 0.02 0.04 -0.06 0.00 2.58 0.00 0.00 58.73 61.31 2jgd h TYR 825 Cb 0.15 0.28 -0.02 0.00 1.55 0.00 0.00 36.73 38.68 2jgd h TYR 825 CO 0.00 -0.28 0.00 1.88 -1.32 0.00 0.00 178.16 178.45 2jgd h TYR 826 N -0.12 0.74 -0.56 -3.82 -1.99 -1.16 0.92 116.97 110.99 2jgd h TYR 826 Ca 0.20 -0.09 -0.02 0.00 2.00 0.00 0.00 58.73 60.81 2jgd h TYR 826 Cb 0.42 -0.21 -0.03 0.00 2.00 0.00 0.00 36.73 38.92 2jgd h TYR 826 CO -0.43 0.69 0.26 -0.44 -0.00 0.00 0.00 178.16 178.24 2jgd h ASP 827 N 0.66 0.74 -0.53 3.88 3.32 -1.43 -0.12 116.42 122.94 2jgd h ASP 827 Ca 0.13 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 2jgd h ASP 827 Cb 0.41 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 2jgd h ASP 827 CO 0.02 0.67 0.14 -0.07 -1.72 0.00 0.00 179.24 178.28 2jgd h LEU 828 N 0.75 0.80 0.04 1.55 3.38 -0.74 -2.10 115.31 118.99 2jgd h LEU 828 Ca 0.19 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2jgd h LEU 828 Cb 0.14 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2jgd h LEU 828 CO -0.02 0.81 -0.02 0.25 0.09 0.00 0.00 178.44 179.55 2jgd h LEU 829 N 0.74 -0.04 -1.16 1.67 5.85 -0.60 -1.57 115.31 120.20 2jgd h LEU 829 Ca 0.17 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 2jgd h LEU 829 Cb 0.32 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2jgd h LEU 829 CO -0.00 0.03 0.12 -0.33 -0.34 0.00 0.00 178.44 177.92 2jgd h GLU 830 N -0.11 0.70 -0.01 1.25 5.08 -0.98 -1.89 114.58 118.62 2jgd h GLU 830 Ca -0.01 -0.13 -0.14 0.00 -1.00 0.00 0.00 59.36 58.08 2jgd h GLU 830 Cb 0.10 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2jgd h GLU 830 CO 0.01 0.64 -0.66 0.37 -1.00 0.00 0.00 179.01 178.37 2jgd h GLN 831 N 0.68 0.04 0.22 2.33 5.75 -1.18 -1.31 115.11 121.64 2jgd h GLN 831 Ca 0.16 -0.03 -0.31 0.00 -0.15 0.00 0.00 58.65 58.32 2jgd h GLN 831 Cb 0.25 0.01 0.03 0.00 1.07 0.00 0.00 27.48 28.84 2jgd h GLN 831 CO -0.00 0.68 -1.39 -0.09 -2.65 0.00 0.00 178.83 175.38 2jgd h ARG 832 N 0.03 0.46 -0.44 1.69 2.43 -0.88 -1.30 114.38 116.37 2jgd h ARG 832 Ca -0.01 -0.79 0.04 0.00 -0.81 0.00 0.00 59.98 58.41 2jgd h ARG 832 Cb 1.16 0.30 -0.04 0.00 -0.42 0.00 0.00 29.97 30.97 2jgd h ARG 832 CO 0.09 1.38 0.20 0.00 -1.51 0.00 0.00 179.97 180.13 2jgd h ARG 833 N 0.02 0.39 -0.84 0.20 3.08 -1.41 -0.79 114.38 115.03 2jgd h ARG 833 Ca -0.25 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 59.85 2jgd h ARG 833 Cb 2.04 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 31.94 2jgd h ARG 833 CO 0.23 0.26 0.51 -0.22 -1.07 0.00 0.00 179.97 179.68 2jgd h LYS 834 N 0.40 0.89 0.00 0.04 3.64 -1.19 -0.95 116.57 119.41 2jgd h LYS 834 Ca 0.19 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2jgd h LYS 834 Cb 0.13 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2jgd h LYS 834 CO -0.16 0.59 0.00 0.09 -2.27 0.00 0.00 179.45 177.70 2jgd n ASN 835 N -4.66 0.00 -3.81 4.20 3.02 -0.50 -4.90 115.26 108.62 2jgd n ASN 835 Ca 0.12 -0.77 -0.25 0.00 -0.03 0.00 0.00 54.58 53.66 2jgd n ASN 835 Cb 0.20 -0.02 0.02 0.00 -0.61 0.00 0.00 39.78 39.37 2jgd n ASN 835 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2jgd n ASN 836 N -1.02 -1.93 -4.54 6.41 5.15 -0.36 -4.96 115.26 114.00 2jgd n ASN 836 Ca 0.19 -0.85 -0.34 0.00 -0.60 0.00 0.00 54.58 52.98 2jgd n ASN 836 Cb 0.10 -3.80 -0.12 0.00 -0.53 0.00 0.00 39.78 35.43 2jgd n ASN 836 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 2jgd s GLN 837 N -6.26 3.29 0.00 1.20 0.74 -0.33 -4.97 119.66 113.33 2jgd s GLN 837 Ca 0.18 -0.52 0.00 0.00 0.05 0.00 0.00 55.36 55.07 2jgd s GLN 837 Cb -0.09 -2.79 0.00 0.00 1.10 0.00 0.00 33.01 31.23 2jgd s GLN 837 CO 0.83 0.43 0.24 0.72 -0.55 0.00 0.00 175.29 176.97 2jgd n HIS 838 N 2.94 0.00 -0.40 1.67 8.25 -1.26 -4.71 115.22 121.70 2jgd n HIS 838 Ca -0.18 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.38 2jgd n HIS 838 Cb 0.53 0.00 0.30 0.00 1.12 0.00 0.00 29.99 31.94 2jgd n HIS 838 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2jgd n ASP 839 N -0.05 3.94 -3.67 0.41 5.75 -1.26 -4.60 116.55 117.07 2jgd n ASP 839 Ca 0.00 -2.12 -0.22 0.00 -0.01 0.00 0.00 54.79 52.44 2jgd n ASP 839 Cb 0.11 -0.46 -0.18 0.00 -1.03 0.00 0.00 41.12 39.56 2jgd n ASP 839 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2jgd s VAL 840 N -1.22 -0.01 0.31 2.12 0.11 -1.26 -1.13 120.40 119.32 2jgd s VAL 840 Ca 0.45 0.21 -0.08 0.00 -2.93 0.00 0.00 61.98 59.62 2jgd s VAL 840 Cb 0.25 -0.34 -0.06 0.00 -1.53 0.00 0.00 36.38 34.69 2jgd s VAL 840 CO 0.28 0.07 0.62 0.00 -3.33 0.00 0.00 175.10 172.73 2jgd s ALA 841 N 2.12 3.52 -0.16 1.54 0.00 -0.16 -4.94 121.76 123.68 2jgd s ALA 841 Ca 0.04 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.61 2jgd s ALA 841 Cb -0.13 -2.46 0.05 0.00 0.00 0.00 0.00 23.12 20.58 2jgd s ALA 841 CO -0.05 0.24 -0.02 0.42 0.00 0.00 0.00 175.76 176.35 2jgd s ILE 842 N -2.10 0.89 -0.06 0.00 1.01 -1.26 0.38 121.20 120.07 2jgd s ILE 842 Ca 0.47 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.59 2jgd s ILE 842 Cb -0.11 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 2jgd s ILE 842 CO 0.28 0.05 -0.10 -0.69 0.00 0.00 0.00 174.94 174.47 2jgd s VAL 843 N 1.72 3.44 0.00 2.92 1.01 0.12 -4.25 120.40 125.36 2jgd s VAL 843 Ca 0.00 -0.58 -0.16 0.00 0.00 0.00 0.00 61.98 61.24 2jgd s VAL 843 Cb -0.16 -2.39 -0.06 0.00 0.00 0.00 0.00 36.38 33.78 2jgd s VAL 843 CO -0.07 0.60 0.46 -0.13 0.00 0.00 0.00 175.10 175.95 2jgd s ARG 844 N -0.77 4.04 -0.37 2.72 3.00 -0.59 -0.89 118.95 126.10 2jgd s ARG 844 Ca 0.12 0.50 -0.09 0.00 0.00 0.00 0.00 55.73 56.25 2jgd s ARG 844 Cb -0.11 -3.25 0.04 0.00 0.00 0.00 0.00 34.95 31.62 2jgd s ARG 844 CO 0.01 0.61 0.17 0.42 0.00 0.00 0.00 175.30 176.52 2jgd s ILE 845 N -0.87 4.27 -0.09 1.52 1.01 0.46 -1.17 121.20 126.32 2jgd s ILE 845 Ca 0.25 -1.00 0.15 0.00 0.00 0.00 0.00 60.65 60.06 2jgd s ILE 845 Cb -0.17 -3.41 -0.18 0.00 0.01 0.00 0.00 42.46 38.70 2jgd s ILE 845 CO 0.14 -0.24 0.71 -0.62 0.00 0.00 0.00 174.94 174.94 2jgd n GLU 846 N 4.93 0.63 -4.03 2.79 -0.58 0.40 -4.48 120.64 120.30 2jgd n GLU 846 Ca -0.12 0.24 -0.33 0.00 -0.42 0.00 0.00 57.16 56.53 2jgd n GLU 846 Cb 0.45 -1.78 -0.15 0.00 -0.57 0.00 0.00 31.44 29.39 2jgd n GLU 846 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 2jgd s GLN 847 N -2.78 2.44 0.22 3.49 0.74 -0.92 0.87 119.66 123.73 2jgd s GLN 847 Ca -0.04 -1.23 0.18 0.00 0.05 0.00 0.00 55.36 54.33 2jgd s GLN 847 Cb 0.08 -2.93 0.03 0.00 1.10 0.00 0.00 33.01 31.29 2jgd s GLN 847 CO 0.82 -0.52 1.19 -0.07 -0.55 0.00 0.00 175.29 176.16 2jgd h LEU 848 N 7.87 0.00 -7.08 3.68 3.38 -1.27 -3.38 115.31 118.50 2jgd h LEU 848 Ca -0.24 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 2jgd h LEU 848 Cb 1.06 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.60 2jgd h LEU 848 CO 0.51 0.34 0.02 -0.47 0.09 0.00 0.00 178.44 178.93 2jgd s TYR 849 N -3.08 -0.73 0.16 1.13 6.14 -1.17 -3.55 117.35 116.26 2jgd s TYR 849 Ca 0.01 1.73 -0.33 0.00 0.64 0.00 0.00 57.07 59.12 2jgd s TYR 849 Cb 0.08 0.27 -0.16 0.00 0.42 0.00 0.00 41.96 42.57 2jgd s TYR 849 CO 0.76 -0.35 1.19 -2.30 0.64 0.00 0.00 175.55 175.50 2jgd n PRO 850 N 2.90 1.19 -1.97 4.97 -0.02 -1.25 0.44 135.00 141.27 2jgd n PRO 850 Ca -0.15 0.43 -0.42 0.00 -2.02 0.00 0.00 63.50 61.34 2jgd n PRO 850 Cb 0.56 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 32.06 2jgd n PRO 850 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2jgd s PHE 851 N -0.10 2.87 -1.22 6.00 2.19 -1.23 -4.91 117.98 121.58 2jgd s PHE 851 Ca 0.74 0.57 -0.13 0.00 0.33 0.00 0.00 56.93 58.45 2jgd s PHE 851 Cb -0.86 -3.90 0.18 0.00 -1.31 0.00 0.00 43.02 37.12 2jgd s PHE 851 CO 0.51 -3.42 1.51 -0.35 1.83 0.00 0.00 175.22 175.31 2jgd n PRO 852 N 4.53 3.43 0.18 10.12 -0.04 -1.26 -4.87 135.00 147.09 2jgd n PRO 852 Ca 0.14 -3.82 -0.14 0.00 -0.04 0.00 0.00 63.50 59.64 2jgd n PRO 852 Cb 0.40 -3.00 -0.07 0.00 -0.04 0.00 0.00 33.50 30.79 2jgd n PRO 852 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2jgd h HIS 853 N 6.84 -0.73 -0.18 0.54 3.86 -1.98 -1.04 115.15 122.47 2jgd h HIS 853 Ca 0.33 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.57 2jgd h HIS 853 Cb 0.82 0.28 -0.04 0.00 1.06 0.00 0.00 27.41 29.53 2jgd h HIS 853 CO 1.12 -0.40 -0.30 -0.22 0.86 0.00 0.00 177.93 178.99 2jgd h LYS 854 N -0.58 -0.23 -0.86 2.45 3.64 -2.00 -0.60 116.57 118.39 2jgd h LYS 854 Ca -0.01 0.02 0.21 0.00 -1.27 0.00 0.00 60.65 59.60 2jgd h LYS 854 Cb 0.53 0.05 -0.12 0.00 -0.41 0.00 0.00 32.23 32.28 2jgd h LYS 854 CO -0.06 -0.16 0.33 0.00 -2.27 0.00 0.00 179.45 177.29 2jgd h ALA 855 N -0.68 1.32 -0.86 5.00 0.00 -1.97 -0.19 119.26 121.88 2jgd h ALA 855 Ca 0.03 0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.13 2jgd h ALA 855 Cb 0.33 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2jgd h ALA 855 CO -0.30 -0.36 0.57 0.52 0.00 0.00 0.00 179.25 179.68 2jgd h MET 856 N 0.35 1.11 -0.07 0.00 2.86 -0.08 -2.10 114.93 117.01 2jgd h MET 856 Ca 0.53 -0.07 -0.14 0.00 -2.06 0.00 0.00 59.70 57.96 2jgd h MET 856 Cb 1.00 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 2jgd h MET 856 CO -0.54 0.74 -0.59 -0.56 1.06 0.00 0.00 176.91 177.02 2jgd h GLN 857 N 1.15 0.23 -0.31 1.72 -0.00 0.41 -2.21 115.11 116.10 2jgd h GLN 857 Ca 0.32 -0.16 0.04 0.00 -0.00 0.00 0.00 58.65 58.85 2jgd h GLN 857 Cb -0.12 0.02 -0.04 0.00 -0.00 0.00 0.00 27.48 27.35 2jgd h GLN 857 CO -0.07 0.75 0.07 0.93 -0.00 0.00 0.00 178.83 180.51 2jgd h GLU 858 N 0.18 0.18 0.00 0.06 5.08 -0.92 -1.97 114.58 117.19 2jgd h GLU 858 Ca -0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2jgd h GLU 858 Cb 1.08 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2jgd h GLU 858 CO 0.09 0.12 -0.09 1.33 -1.00 0.00 0.00 179.01 179.46 2jgd n VAL 859 N -5.07 0.09 0.72 3.13 0.24 -0.82 -3.29 118.33 113.33 2jgd n VAL 859 Ca 0.00 -0.05 0.07 0.00 -2.04 0.00 0.00 64.34 62.33 2jgd n VAL 859 Cb 0.13 -0.39 -0.08 0.00 -1.47 0.00 0.00 33.84 32.02 2jgd n VAL 859 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2jgd n LEU 860 N -1.62 0.77 -0.24 1.34 4.32 -0.85 -4.61 117.00 116.12 2jgd n LEU 860 Ca 0.06 -0.51 -0.07 0.00 -0.02 0.00 0.00 56.01 55.47 2jgd n LEU 860 Cb 0.35 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 42.22 2jgd n LEU 860 CO 0.29 0.19 0.93 0.06 -1.22 0.00 0.00 177.39 177.64 2jgd h GLN 861 N 0.09 1.10 0.00 3.23 -0.00 -1.34 0.10 115.11 118.29 2jgd h GLN 861 Ca 0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 58.65 58.38 2jgd h GLN 861 Cb 0.37 -0.14 0.00 0.00 -0.00 0.00 0.00 27.48 27.71 2jgd h GLN 861 CO 0.00 0.98 0.00 0.00 -0.00 0.00 0.00 178.83 179.81 2jgd n GLN 862 N -4.23 0.02 -0.35 0.06 10.64 -1.26 -2.04 117.38 120.22 2jgd n GLN 862 Ca 0.05 0.39 0.07 0.00 -1.83 0.00 0.00 57.00 55.68 2jgd n GLN 862 Cb 0.27 -1.54 0.22 0.00 -0.86 0.00 0.00 30.24 28.33 2jgd n GLN 862 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 2jgd n PHE 863 N -1.57 0.78 -0.30 2.61 3.01 0.35 -4.72 117.46 117.63 2jgd n PHE 863 Ca 0.02 -0.73 0.34 0.00 1.01 0.00 0.00 57.45 58.09 2jgd n PHE 863 Cb 0.09 -0.21 0.64 0.00 -0.01 0.00 0.00 39.48 39.99 2jgd n PHE 863 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2jgd h ALA 864 N 1.93 3.06 -0.00 4.37 0.00 -1.28 0.15 119.26 127.48 2jgd h ALA 864 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jgd h ALA 864 Cb 1.18 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2jgd h ALA 864 CO 0.14 -1.68 -0.73 -2.39 0.00 0.00 0.00 179.25 174.59 2jgd n HIS 865 N -3.65 0.00 -2.55 0.00 -0.00 -1.26 -4.83 115.22 102.93 2jgd n HIS 865 Ca 0.26 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.58 2jgd n HIS 865 Cb 1.44 -0.04 -0.05 0.00 -0.00 0.00 0.00 29.99 31.34 2jgd n HIS 865 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2jgd s VAL 866 N -2.82 3.68 -0.18 0.61 1.01 0.53 -4.95 120.40 118.28 2jgd s VAL 866 Ca 0.13 1.66 0.07 0.00 0.00 0.00 0.00 61.98 63.84 2jgd s VAL 866 Cb 0.17 -4.06 -0.09 0.00 0.00 0.00 0.00 36.38 32.40 2jgd s VAL 866 CO 0.74 0.39 0.23 0.29 0.00 0.00 0.00 175.10 176.74 2jgd n LYS 867 N 1.40 2.67 -3.63 2.72 4.01 -1.26 -4.62 118.16 119.45 2jgd n LYS 867 Ca -0.01 -0.03 -0.39 0.00 -0.51 0.00 0.00 58.31 57.37 2jgd n LYS 867 Cb 0.45 -0.98 -0.10 0.00 -0.51 0.00 0.00 35.03 33.90 2jgd n LYS 867 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2jgd s ASP 868 N -2.18 5.55 -0.08 4.39 3.68 -1.26 -0.41 116.67 126.36 2jgd s ASP 868 Ca 0.00 -1.90 0.01 0.00 2.13 0.00 0.00 52.55 52.79 2jgd s ASP 868 Cb 0.05 -1.95 -0.03 0.00 -1.45 0.00 0.00 42.92 39.54 2jgd s ASP 868 CO 0.29 -0.63 -0.10 -0.36 0.13 0.00 0.00 175.17 174.50 2jgd s PHE 869 N 1.30 2.86 -0.05 -5.34 0.40 -0.80 -1.73 117.98 114.61 2jgd s PHE 869 Ca 0.06 -0.17 0.04 0.00 -0.60 0.00 0.00 56.93 56.25 2jgd s PHE 869 Cb -0.25 -1.74 0.00 0.00 0.51 0.00 0.00 43.02 41.55 2jgd s PHE 869 CO -0.02 0.16 -0.16 0.08 0.70 0.00 0.00 175.22 175.99 2jgd s VAL 870 N -0.47 1.34 -0.11 -0.44 1.01 0.26 -1.98 120.40 120.01 2jgd s VAL 870 Ca 0.06 -0.64 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 2jgd s VAL 870 Cb -0.12 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 2jgd s VAL 870 CO 0.02 0.39 0.47 0.86 0.00 0.00 0.00 175.10 176.84 2jgd s TRP 871 N 0.24 3.53 -0.08 5.22 -0.11 -0.54 -0.17 118.94 127.03 2jgd s TRP 871 Ca -0.08 0.89 0.04 0.00 1.22 0.00 0.00 56.10 58.17 2jgd s TRP 871 Cb -0.13 -2.52 0.00 0.00 -1.50 0.00 0.00 33.47 29.32 2jgd s TRP 871 CO 0.03 0.21 -0.21 0.00 -4.62 0.00 0.00 176.95 172.36 2jgd s GLN 873 N 0.28 0.04 0.28 0.00 -2.07 -0.12 -4.49 119.66 113.58 2jgd s GLN 873 Ca -0.13 0.10 0.01 0.00 -1.82 0.00 0.00 55.36 53.52 2jgd s GLN 873 Cb -0.16 -0.03 0.60 0.00 -1.09 0.00 0.00 33.01 32.32 2jgd s GLN 873 CO 0.06 -0.04 1.78 0.93 -1.32 0.00 0.00 175.29 176.70 2jgd h GLU 874 N 6.36 0.73 -7.22 9.60 5.08 -1.92 -3.24 114.58 123.96 2jgd h GLU 874 Ca -0.29 -0.04 -0.49 0.00 -1.00 0.00 0.00 59.36 57.53 2jgd h GLU 874 Cb 1.19 -0.17 0.06 0.00 0.50 0.00 0.00 28.75 30.33 2jgd h GLU 874 CO 0.48 0.48 0.38 -1.83 -1.00 0.00 0.00 179.01 177.52 2jgd s GLU 875 N -5.93 3.45 0.80 2.33 1.03 -1.26 -4.10 118.70 115.02 2jgd s GLU 875 Ca -0.12 1.08 -0.14 0.00 0.03 0.00 0.00 54.97 55.83 2jgd s GLU 875 Cb 0.23 -2.06 0.08 0.00 -0.80 0.00 0.00 34.13 31.58 2jgd s GLU 875 CO 0.79 -0.69 1.21 -2.30 -1.33 0.00 0.00 175.26 172.94 2jgd n PRO 876 N -2.10 0.23 -0.27 -4.83 -0.02 -1.26 -3.41 135.00 123.34 2jgd n PRO 876 Ca 0.08 0.15 0.08 0.00 -2.02 0.00 0.00 63.50 61.79 2jgd n PRO 876 Cb 0.53 -2.45 0.21 0.00 -0.02 0.00 0.00 33.50 31.77 2jgd n PRO 876 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2jgd h LEU 877 N -0.83 -0.05 0.00 2.45 6.46 -1.30 0.29 115.31 122.33 2jgd h LEU 877 Ca -0.47 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.46 2jgd h LEU 877 Cb 1.30 0.24 0.00 0.00 -0.73 0.00 0.00 40.66 41.47 2jgd h LEU 877 CO 0.46 -0.09 0.00 -0.46 -0.62 0.00 0.00 178.44 177.73 2jgd n ASN 878 N -5.21 0.00 -1.07 1.25 6.94 -1.26 -4.57 115.26 111.35 2jgd n ASN 878 Ca 0.16 -1.59 0.00 0.00 -0.02 0.00 0.00 54.58 53.13 2jgd n ASN 878 Cb 0.53 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.95 2jgd n ASN 878 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jgd n GLN 879 N -0.62 1.00 0.00 -3.83 6.02 0.10 -4.98 117.38 115.07 2jgd n GLN 879 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 2jgd n GLN 879 Cb 0.02 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.28 2jgd n GLN 879 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jgd n GLY 880 N 2.02 1.78 0.00 1.08 0.00 -1.26 -3.83 105.19 104.98 2jgd n GLY 880 Ca 0.00 -0.36 0.10 0.00 0.00 0.00 0.00 46.02 45.75 2jgd n GLY 880 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgd n ALA 881 N 6.16 4.24 -0.00 4.61 0.00 -1.26 -3.71 120.51 130.55 2jgd n ALA 881 Ca 0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 53.44 52.79 2jgd n ALA 881 Cb 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 2jgd n ALA 881 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 2jgd h TRP 882 N 0.00 -0.68 -0.11 0.00 2.91 -1.85 0.15 115.95 116.36 2jgd h TRP 882 Ca 0.00 0.03 -0.21 0.00 1.13 0.00 0.00 58.89 59.84 2jgd h TRP 882 Cb 0.57 0.32 0.00 0.00 -0.51 0.00 0.00 29.16 29.55 2jgd h TRP 882 CO 0.00 -0.33 -0.77 1.88 -1.03 0.00 0.00 178.44 178.19 2jgd h TYR 883 N -0.32 0.84 0.00 2.65 0.05 -1.81 -0.42 116.97 117.96 2jgd h TYR 883 Ca 0.10 -0.38 -0.16 0.00 0.05 0.00 0.00 58.73 58.35 2jgd h TYR 883 Cb 0.47 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 2jgd h TYR 883 CO -0.35 1.18 -0.76 0.00 -1.05 0.00 0.00 178.16 177.18 2jgd n SER 885 N -3.33 1.10 -0.17 0.00 7.64 0.48 -4.57 113.62 114.77 2jgd n SER 885 Ca 0.01 -1.19 -0.05 0.00 1.01 0.00 0.00 58.87 58.66 2jgd n SER 885 Cb 0.82 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.98 2jgd n SER 885 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jgd n GLN 886 N -0.09 -0.18 0.23 1.43 6.02 -0.17 -1.90 117.38 122.71 2jgd n GLN 886 Ca 0.00 0.87 0.07 0.00 -0.01 0.00 0.00 57.00 57.93 2jgd n GLN 886 Cb 0.07 -1.29 0.53 0.00 1.02 0.00 0.00 30.24 30.58 2jgd n GLN 886 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 177.06 177.17 2jgd h HIS 887 N 0.00 0.00 -0.20 1.08 2.07 -1.85 0.94 115.15 117.19 2jgd h HIS 887 Ca 0.07 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.52 2jgd h HIS 887 Cb 0.17 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.14 2jgd h HIS 887 CO -0.66 0.23 -0.12 0.45 -3.07 0.00 0.00 177.93 174.76 2jgd h HIS 888 N 0.00 0.51 0.14 6.12 3.86 -1.79 -2.79 115.15 121.20 2jgd h HIS 888 Ca -0.00 -0.13 0.01 0.00 -1.16 0.00 0.00 60.37 59.08 2jgd h HIS 888 Cb 0.47 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 2jgd h HIS 888 CO 0.00 0.75 -0.19 0.74 0.86 0.00 0.00 177.93 180.09 2jgd h PHE 889 N 0.13 -0.51 -1.08 2.45 0.05 -0.14 0.21 116.94 118.05 2jgd h PHE 889 Ca 0.04 0.01 0.29 0.00 3.82 0.00 0.00 57.97 62.13 2jgd h PHE 889 Cb 0.63 0.20 -0.09 0.00 2.00 0.00 0.00 35.95 38.69 2jgd h PHE 889 CO 0.07 -0.28 0.71 0.00 -0.18 0.00 0.00 178.31 178.62 2jgd h ARG 890 N -0.39 0.30 0.00 1.51 3.08 -1.35 -0.18 114.38 117.34 2jgd h ARG 890 Ca 0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2jgd h ARG 890 Cb 0.39 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2jgd h ARG 890 CO -0.08 0.20 0.00 0.39 -1.07 0.00 0.00 179.97 179.40 2jgd n GLU 891 N -4.57 0.19 0.00 0.04 1.02 0.05 -3.93 120.64 113.44 2jgd n GLU 891 Ca 0.26 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 2jgd n GLU 891 Cb 0.98 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.90 2jgd n GLU 891 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2jgd n VAL 892 N -1.35 0.00 -2.62 2.62 0.31 -0.11 -5.01 118.33 112.17 2jgd n VAL 892 Ca 0.08 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.11 2jgd n VAL 892 Cb 0.17 0.24 -0.02 0.00 -0.91 0.00 0.00 33.84 33.33 2jgd n VAL 892 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2jgd s ILE 893 N -1.59 4.80 0.96 2.52 -4.36 -1.00 -4.85 121.20 117.67 2jgd s ILE 893 Ca 0.00 0.54 -0.11 0.00 -0.26 0.00 0.00 60.65 60.82 2jgd s ILE 893 Cb 0.00 -3.80 0.12 0.00 1.25 0.00 0.00 42.46 40.03 2jgd s ILE 893 CO 0.00 -0.73 0.85 -2.65 0.24 0.00 0.00 174.94 172.64 2jgd n PRO 894 N -1.85 -0.59 -0.28 0.37 -0.02 -1.26 -4.86 135.00 126.51 2jgd n PRO 894 Ca 0.02 -0.12 -0.05 0.00 -2.02 0.00 0.00 63.50 61.34 2jgd n PRO 894 Cb 0.54 -2.16 0.06 0.00 -0.02 0.00 0.00 33.50 31.92 2jgd n PRO 894 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2jgd h PHE 895 N -1.85 1.03 -0.92 6.00 -0.00 -1.95 -2.09 116.94 117.16 2jgd h PHE 895 Ca -0.45 -0.02 0.14 0.00 -0.00 0.00 0.00 57.97 57.65 2jgd h PHE 895 Cb 1.28 -0.33 -0.07 0.00 -0.00 0.00 0.00 35.95 36.82 2jgd h PHE 895 CO 0.43 0.71 0.59 0.78 -0.00 0.00 0.00 178.31 180.83 2jgd h GLY 896 N 1.05 1.30 -3.62 2.40 0.00 -1.92 -3.47 103.07 98.82 2jgd h GLY 896 Ca 0.27 -0.32 -0.50 0.00 0.00 0.00 0.00 47.33 46.78 2jgd h GLY 896 CO -0.05 0.09 0.48 0.00 0.00 0.00 0.00 176.54 177.07 2jgd s ALA 897 N -5.73 3.35 0.65 3.60 0.00 -0.79 -5.00 121.76 117.85 2jgd s ALA 897 Ca -0.10 0.91 -0.05 0.00 0.00 0.00 0.00 51.96 52.72 2jgd s ALA 897 Cb 0.22 -3.34 0.04 0.00 0.00 0.00 0.00 23.12 20.05 2jgd s ALA 897 CO 0.79 -0.25 0.95 -1.54 0.00 0.00 0.00 175.76 175.72 2jgd s SER 898 N -0.95 5.07 -0.13 0.00 1.04 0.45 -4.93 113.70 114.24 2jgd s SER 898 Ca 0.48 0.45 -0.06 0.00 0.48 0.00 0.00 55.95 57.30 2jgd s SER 898 Cb -0.31 -1.21 0.06 0.00 0.10 0.00 0.00 66.02 64.65 2jgd s SER 898 CO 0.40 -1.40 0.29 -0.22 0.98 0.00 0.00 173.24 173.29 2jgd s LEU 899 N -5.11 -0.08 0.12 2.42 2.96 -1.25 -1.90 118.68 115.83 2jgd s LEU 899 Ca 0.58 0.64 -0.01 0.00 -0.22 0.00 0.00 54.13 55.12 2jgd s LEU 899 Cb -0.11 0.84 -0.04 0.00 0.50 0.00 0.00 46.19 47.39 2jgd s LEU 899 CO 0.44 -0.21 0.03 0.00 -1.32 0.00 0.00 176.35 175.29 2jgd s ARG 900 N 1.94 0.87 -0.11 1.98 1.70 -0.84 -5.01 118.95 119.50 2jgd s ARG 900 Ca -0.04 -1.40 -0.14 0.00 -0.47 0.00 0.00 55.73 53.69 2jgd s ARG 900 Cb -0.11 0.20 -0.05 0.00 -0.57 0.00 0.00 34.95 34.42 2jgd s ARG 900 CO -0.09 -0.22 0.32 -0.47 -1.08 0.00 0.00 175.30 173.76 2jgd s TYR 901 N -4.00 3.56 -0.07 5.89 6.14 -1.26 -1.46 117.35 126.14 2jgd s TYR 901 Ca 0.21 0.73 0.02 0.00 0.64 0.00 0.00 57.07 58.66 2jgd s TYR 901 Cb 0.07 -2.29 0.01 0.00 0.42 0.00 0.00 41.96 40.18 2jgd s TYR 901 CO -0.01 0.41 -0.13 0.00 0.64 0.00 0.00 175.55 176.47 2jgd s ALA 902 N -0.16 1.36 0.00 3.97 0.00 0.34 -4.96 121.76 122.32 2jgd s ALA 902 Ca 0.19 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.67 2jgd s ALA 902 Cb -0.14 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.35 2jgd s ALA 902 CO 0.07 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.32 2jgd n GLY 903 N 3.89 -1.11 3.81 0.00 0.00 -1.26 -0.94 105.19 109.57 2jgd n GLY 903 Ca -0.22 -1.13 -0.33 0.00 0.00 0.00 0.00 46.02 44.35 2jgd n GLY 903 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jgd s ARG 904 N -1.68 3.49 0.79 1.61 0.52 -1.22 -4.81 118.95 117.65 2jgd s ARG 904 Ca 0.00 1.21 -0.11 0.00 -0.52 0.00 0.00 55.73 56.31 2jgd s ARG 904 Cb 0.00 -2.06 0.07 0.00 0.52 0.00 0.00 34.95 33.48 2jgd s ARG 904 CO 0.00 -0.67 1.11 -1.25 0.02 0.00 0.00 175.30 174.51 2jgd s PRO 905 N -3.88 2.02 0.66 3.54 0.04 -1.26 -1.55 135.00 134.57 2jgd s PRO 905 Ca 0.64 1.30 -0.17 0.00 0.04 0.00 0.00 61.00 62.81 2jgd s PRO 905 Cb -0.15 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 2jgd s PRO 905 CO 0.32 -1.84 1.08 0.00 0.04 0.00 0.00 177.00 176.60 2jgd n ALA 906 N -3.55 0.38 -3.55 8.56 0.00 -1.26 -3.41 120.51 117.68 2jgd n ALA 906 Ca 0.10 -0.06 -0.15 0.00 0.00 0.00 0.00 53.44 53.33 2jgd n ALA 906 Cb 0.53 -2.18 -0.06 0.00 0.00 0.00 0.00 19.45 17.73 2jgd n ALA 906 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2jgd s SER 907 N -1.42 -0.59 0.09 0.00 1.04 -1.26 -4.87 113.70 106.69 2jgd s SER 907 Ca 0.78 0.72 -0.04 0.00 0.48 0.00 0.00 55.95 57.90 2jgd s SER 907 Cb -0.38 0.59 -0.24 0.00 0.10 0.00 0.00 66.02 66.09 2jgd s SER 907 CO 0.45 -0.49 1.18 0.00 0.98 0.00 0.00 173.24 175.37 2jgd h ALA 908 N 3.15 0.16 -2.69 5.32 0.00 -2.01 -3.42 119.26 119.78 2jgd h ALA 908 Ca -0.25 -0.85 -0.64 0.00 0.00 0.00 0.00 54.91 53.16 2jgd h ALA 908 Cb 1.15 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 2jgd h ALA 908 CO 0.32 0.96 -0.41 0.45 0.00 0.00 0.00 179.25 180.57 2jgd s SER 909 N -7.12 6.49 0.31 0.00 0.15 -1.26 -5.00 113.70 107.27 2jgd s SER 909 Ca -0.04 0.56 0.04 0.00 0.70 0.00 0.00 55.95 57.21 2jgd s SER 909 Cb 0.08 -2.10 0.65 0.00 -1.71 0.00 0.00 66.02 62.94 2jgd s SER 909 CO 0.88 0.33 1.85 -0.65 1.20 0.00 0.00 173.24 176.84 2jgd h PRO 910 N 4.49 0.86 -3.11 5.44 0.11 -1.84 -3.44 132.00 134.51 2jgd h PRO 910 Ca -0.52 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.38 2jgd h PRO 910 Cb 1.21 -0.19 -0.25 0.00 0.11 0.00 0.00 31.00 31.88 2jgd h PRO 910 CO 0.62 0.57 -0.41 0.00 -0.21 0.00 0.00 178.00 178.57 2jgd s ALA 911 N -5.86 -0.64 0.77 -0.75 0.00 -1.26 -4.73 121.76 109.28 2jgd s ALA 911 Ca -0.11 0.71 -0.13 0.00 0.00 0.00 0.00 51.96 52.42 2jgd s ALA 911 Cb 0.22 -0.40 0.06 0.00 0.00 0.00 0.00 23.12 23.00 2jgd s ALA 911 CO 0.80 -0.13 1.15 0.14 0.00 0.00 0.00 175.76 177.73 2jgd s VAL 912 N 0.07 2.62 0.14 0.00 -7.23 -1.26 -3.40 120.40 111.34 2jgd s VAL 912 Ca -0.01 0.26 0.21 0.00 -1.81 0.00 0.00 61.98 60.63 2jgd s VAL 912 Cb -0.02 -2.68 0.18 0.00 0.56 0.00 0.00 36.38 34.42 2jgd s VAL 912 CO 0.00 -0.21 1.76 1.23 -0.31 0.00 0.00 175.10 177.58 2jgd h GLY 913 N -0.74 0.00 -5.52 2.32 0.00 -1.96 -3.35 103.07 93.81 2jgd h GLY 913 Ca -0.46 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.20 2jgd h GLY 913 CO 0.49 0.00 -0.87 0.30 0.00 0.00 0.00 176.54 176.46 2jgd s HIS 914 N -3.60 2.62 0.25 5.60 3.76 -1.26 -4.72 115.29 117.94 2jgd s HIS 914 Ca 0.00 -1.15 -0.06 0.00 -0.15 0.00 0.00 55.06 53.71 2jgd s HIS 914 Cb 0.10 -1.77 0.27 0.00 1.11 0.00 0.00 32.58 32.30 2jgd s HIS 914 CO 0.67 -0.49 1.92 1.98 -0.85 0.00 0.00 174.74 177.97 2jgd h MET 915 N 6.98 1.27 -0.44 1.40 4.05 -1.90 -2.04 114.93 124.25 2jgd h MET 915 Ca -0.25 -0.08 -0.04 0.00 -0.28 0.00 0.00 59.70 59.05 2jgd h MET 915 Cb 1.22 -0.29 -0.02 0.00 -0.80 0.00 0.00 31.60 31.71 2jgd h MET 915 CO 0.51 0.84 0.09 0.66 0.23 0.00 0.00 176.91 179.25 2jgd h SER 916 N 1.31 0.62 -0.24 1.39 4.64 -1.95 -1.59 113.55 117.73 2jgd h SER 916 Ca 0.37 -0.10 -0.05 0.00 -0.47 0.00 0.00 61.79 61.54 2jgd h SER 916 Cb -0.11 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.81 2jgd h SER 916 CO -0.09 0.63 -0.05 0.58 -0.87 0.00 0.00 176.83 177.03 2jgd h VAL 917 N 0.65 1.28 -0.37 0.95 2.07 -1.82 -2.50 116.25 116.51 2jgd h VAL 917 Ca 0.15 -1.03 0.08 0.00 0.82 0.00 0.00 66.70 66.71 2jgd h VAL 917 Cb 0.27 1.46 -0.09 0.00 -1.52 0.00 0.00 31.29 31.41 2jgd h VAL 917 CO -0.00 0.32 -0.25 -0.74 0.02 0.00 0.00 177.57 176.92 2jgd h HIS 918 N 0.21 -0.66 -0.61 1.57 2.76 -1.13 -1.51 115.15 115.78 2jgd h HIS 918 Ca 0.06 0.05 0.01 0.00 -2.20 0.00 0.00 60.37 58.29 2jgd h HIS 918 Cb 0.50 0.35 -0.03 0.00 1.55 0.00 0.00 27.41 29.77 2jgd h HIS 918 CO 0.05 -0.32 0.40 1.96 -1.30 0.00 0.00 177.93 178.71 2jgd h GLN 919 N -0.20 0.78 -0.55 5.26 4.20 -1.21 -0.13 115.11 123.27 2jgd h GLN 919 Ca 0.18 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.89 2jgd h GLN 919 Cb 0.48 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 28.03 2jgd h GLN 919 CO -0.48 0.52 0.29 -0.22 -0.67 0.00 0.00 178.83 178.27 2jgd h LYS 920 N 0.81 0.54 -0.62 1.46 1.63 -1.19 -1.43 116.57 117.77 2jgd h LYS 920 Ca 0.23 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.98 2jgd h LYS 920 Cb -0.06 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.41 2jgd h LYS 920 CO -0.06 0.36 0.33 1.96 -3.45 0.00 0.00 179.45 178.59 2jgd h GLN 921 N 0.56 0.87 -0.03 1.90 4.20 -0.07 0.16 115.11 122.70 2jgd h GLN 921 Ca 0.24 -0.11 0.02 0.00 0.06 0.00 0.00 58.65 58.86 2jgd h GLN 921 Cb 0.14 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 2jgd h GLN 921 CO -0.16 0.67 -0.06 0.37 -0.67 0.00 0.00 178.83 178.98 2jgd h GLN 922 N 0.84 -0.09 -0.52 1.46 5.75 -0.86 -0.78 115.11 120.92 2jgd h GLN 922 Ca 0.22 0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.72 2jgd h GLN 922 Cb 0.06 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 2jgd h GLN 922 CO -0.03 -0.06 0.32 0.37 -2.65 0.00 0.00 178.83 176.78 2jgd h GLN 923 N -0.10 0.70 -0.66 1.69 5.75 -0.92 -1.94 115.11 119.63 2jgd h GLN 923 Ca 0.04 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.41 2jgd h GLN 923 Cb 0.14 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 2jgd h GLN 923 CO -0.08 0.50 0.15 -0.44 -2.65 0.00 0.00 178.83 176.30 2jgd h ASP 924 N 0.70 1.02 -0.25 -0.69 3.32 -0.29 -0.82 116.42 119.41 2jgd h ASP 924 Ca 0.19 -0.24 -0.16 0.00 0.02 0.00 0.00 57.03 56.84 2jgd h ASP 924 Cb -0.03 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.25 2jgd h ASP 924 CO -0.04 0.99 -0.48 0.17 -1.72 0.00 0.00 179.24 178.17 2jgd h LEU 925 N 0.99 0.85 0.20 1.55 8.10 -0.98 -1.12 115.31 124.89 2jgd h LEU 925 Ca 0.21 -0.54 0.01 0.00 0.11 0.00 0.00 57.88 57.67 2jgd h LEU 925 Cb 0.38 -0.24 -0.03 0.00 -0.44 0.00 0.00 40.66 40.33 2jgd h LEU 925 CO 0.00 1.23 -0.33 0.58 -4.11 0.00 0.00 178.44 175.81 2jgd h VAL 926 N 0.50 0.31 -0.92 0.15 2.07 -1.27 -1.04 116.25 116.05 2jgd h VAL 926 Ca 0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.60 2jgd h VAL 926 Cb 1.08 0.31 -0.07 0.00 -1.52 0.00 0.00 31.29 31.09 2jgd h VAL 926 CO 0.11 0.00 0.58 0.78 0.02 0.00 0.00 177.57 179.06 2jgd h ASN 927 N -0.60 0.91 -0.73 0.57 2.35 -1.12 -0.95 115.58 116.00 2jgd h ASN 927 Ca 0.01 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 2jgd h ASN 927 Cb 0.60 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.76 2jgd h ASN 927 CO -0.14 0.57 0.35 -0.78 -1.65 0.00 0.00 177.43 175.77 2jgd h ASP 928 N 1.03 0.96 -0.26 5.81 3.58 -0.93 0.15 116.42 126.76 2jgd h ASP 928 Ca 0.41 -0.11 -0.05 0.00 0.42 0.00 0.00 57.03 57.70 2jgd h ASP 928 Cb 0.21 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 2jgd h ASP 928 CO -0.19 0.82 -0.03 0.00 -2.88 0.00 0.00 179.24 176.96 2jgd h ALA 929 N 1.33 0.36 0.00 -0.78 0.00 -0.32 -3.05 119.26 116.80 2jgd h ALA 929 Ca 0.26 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2jgd h ALA 929 Cb 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2jgd h ALA 929 CO -0.03 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.63 2jgd n LEU 930 N -4.57 0.45 -4.48 0.00 4.77 -0.44 -4.73 117.00 107.99 2jgd n LEU 930 Ca -0.03 0.57 -0.42 0.00 -0.03 0.00 0.00 56.01 56.09 2jgd n LEU 930 Cb 0.28 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 40.88 2jgd n LEU 930 CO 0.39 -0.24 0.90 0.21 -1.33 0.00 0.00 177.39 177.32 2jgd s ASN 931 N -3.84 6.19 -0.74 -1.43 2.47 0.48 -4.94 114.94 113.13 2jgd s ASN 931 Ca 0.09 -0.89 -0.14 0.00 0.42 0.00 0.00 52.86 52.34 2jgd s ASN 931 Cb 0.13 -2.46 0.19 0.00 -1.45 0.00 0.00 41.25 37.66 2jgd s ASN 931 CO 0.48 -1.55 0.68 0.68 -3.72 0.00 0.00 177.10 173.68 2jgd s VAL 932 N 4.52 5.47 0.00 -5.21 -7.23 -1.26 -4.97 120.40 111.72 2jgd s VAL 932 Ca 0.27 -2.20 0.00 0.00 -1.81 0.00 0.00 61.98 58.24 2jgd s VAL 932 Cb -0.13 -4.41 0.00 0.00 0.56 0.00 0.00 36.38 32.39 2jgd s VAL 932 CO 0.10 -0.98 0.00 -0.62 -0.31 0.00 0.00 175.10 173.29