#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jg1 s LEU -6 N 0.00 4.09 -0.18 0.99 1.43 -1.26 -5.07 118.68 118.67 2jg1 s LEU -6 Ca 0.00 0.82 -0.25 0.00 -1.03 0.00 0.00 54.13 53.67 2jg1 s LEU -6 Cb 0.00 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.59 2jg1 s LEU -6 CO 0.00 -0.16 0.81 -0.69 0.23 0.00 0.00 176.35 176.54 2jg1 s VAL -5 N -1.99 4.89 0.71 -1.59 1.01 -1.26 -5.04 120.40 117.14 2jg1 s VAL -5 Ca 0.46 1.57 -0.16 0.00 0.00 0.00 0.00 61.98 63.84 2jg1 s VAL -5 Cb -0.11 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.16 2jg1 s VAL -5 CO 0.27 0.02 0.96 -2.65 0.00 0.00 0.00 175.10 173.70 2jg1 n PRO -4 N 5.33 0.54 0.00 2.72 -0.02 -1.26 -4.98 135.00 137.33 2jg1 n PRO -4 Ca 0.04 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 2jg1 n PRO -4 Cb 0.49 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2jg1 n PRO -4 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2jg1 n ARG -3 N -1.76 1.69 0.00 -0.52 1.74 -1.26 -5.07 116.66 111.47 2jg1 n ARG -3 Ca 0.13 -1.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.14 2jg1 n ARG -3 Cb 0.49 -0.84 0.00 0.00 -1.02 0.00 0.00 32.46 31.09 2jg1 n ARG -3 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jg1 n GLY -2 N -0.30 1.82 0.56 -0.13 0.00 -1.26 -5.03 105.19 100.86 2jg1 n GLY -2 Ca 0.00 -1.73 0.05 0.00 0.00 0.00 0.00 46.02 44.34 2jg1 n GLY -2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jg1 n SER -1 N 0.00 2.75 -4.55 1.61 3.41 -1.26 -4.69 113.62 110.88 2jg1 n SER -1 Ca 0.00 -1.95 -0.40 0.00 -0.26 0.00 0.00 58.87 56.26 2jg1 n SER -1 Cb 0.00 -0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 63.73 2jg1 n SER -1 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2jg1 s HIS 0 N -0.99 2.21 -0.04 7.33 5.04 -1.26 -2.27 115.29 125.32 2jg1 s HIS 0 Ca 0.20 -0.07 0.04 0.00 -1.54 0.00 0.00 55.06 53.69 2jg1 s HIS 0 Cb 0.11 -4.52 -0.00 0.00 0.04 0.00 0.00 32.58 28.20 2jg1 s HIS 0 CO 0.14 -2.06 -0.17 0.42 -2.34 0.00 0.00 174.74 170.73 2jg1 s ILE 2 N 6.36 1.39 -0.21 0.89 1.01 -0.30 -4.73 121.20 125.61 2jg1 s ILE 2 Ca 0.45 -0.70 -0.07 0.00 0.00 0.00 0.00 60.65 60.33 2jg1 s ILE 2 Cb -0.07 -1.19 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 2jg1 s ILE 2 CO 0.09 0.40 0.05 -0.22 0.00 0.00 0.00 174.94 175.26 2jg1 s LEU 3 N -0.00 3.53 -0.03 2.97 2.96 0.38 -0.66 118.68 127.82 2jg1 s LEU 3 Ca -0.03 -0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 53.77 2jg1 s LEU 3 Cb -0.11 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 2jg1 s LEU 3 CO 0.02 0.07 0.08 0.42 -1.32 0.00 0.00 176.35 175.62 2jg1 s THR 4 N 0.97 4.80 -0.16 3.68 -4.23 -0.67 -0.51 115.64 119.52 2jg1 s THR 4 Ca 0.03 -0.29 -0.01 0.00 -1.18 0.00 0.00 61.69 60.24 2jg1 s THR 4 Cb -0.14 -3.15 -0.01 0.00 1.34 0.00 0.00 72.50 70.54 2jg1 s THR 4 CO 0.03 0.43 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.66 2jg1 s LEU 5 N -1.51 2.69 -0.44 4.79 1.02 0.28 -1.20 118.68 124.32 2jg1 s LEU 5 Ca 0.20 -0.39 0.02 0.00 0.02 0.00 0.00 54.13 53.99 2jg1 s LEU 5 Cb -0.12 -1.63 0.13 0.00 0.02 0.00 0.00 46.19 44.59 2jg1 s LEU 5 CO 0.11 0.09 0.22 -0.89 0.02 0.00 0.00 176.35 175.90 2jg1 s THR 6 N 0.80 1.62 -0.19 5.49 2.01 -0.63 -3.49 115.64 121.25 2jg1 s THR 6 Ca -0.04 -2.60 0.24 0.00 0.31 0.00 0.00 61.69 59.60 2jg1 s THR 6 Cb -0.15 -2.14 0.28 0.00 0.01 0.00 0.00 72.50 70.50 2jg1 s THR 6 CO 0.01 -0.85 1.68 -0.07 -0.69 0.00 0.00 174.62 174.70 2jg1 h LEU 7 N 6.83 0.00 -6.26 4.42 3.38 -1.83 -3.16 115.31 118.68 2jg1 h LEU 7 Ca -0.03 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.35 2jg1 h LEU 7 Cb 0.93 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.28 2jg1 h LEU 7 CO 0.52 0.13 -0.86 -3.20 0.09 0.00 0.00 178.44 175.12 2jg1 n ASN 8 N -3.16 1.48 -4.75 -0.43 5.15 -1.26 -4.12 115.26 108.16 2jg1 n ASN 8 Ca 0.02 -2.92 -0.29 0.00 -0.60 0.00 0.00 54.58 50.79 2jg1 n ASN 8 Cb 0.51 -0.65 0.14 0.00 -0.53 0.00 0.00 39.78 39.25 2jg1 n ASN 8 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2jg1 s PRO 9 N -1.38 1.21 0.03 1.20 0.04 -1.26 -4.84 135.00 130.01 2jg1 s PRO 9 Ca 0.35 0.52 -0.03 0.00 0.04 0.00 0.00 61.00 61.88 2jg1 s PRO 9 Cb 0.11 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.81 2jg1 s PRO 9 CO -0.11 -2.20 0.04 -1.54 0.04 0.00 0.00 177.00 173.23 2jg1 s SER 10 N -3.75 0.24 -0.54 6.66 1.04 -0.43 -4.16 113.70 112.77 2jg1 s SER 10 Ca 0.63 -0.57 -0.22 0.00 0.48 0.00 0.00 55.95 56.27 2jg1 s SER 10 Cb -0.16 0.18 0.05 0.00 0.10 0.00 0.00 66.02 66.19 2jg1 s SER 10 CO 0.55 -0.44 0.81 -0.69 0.98 0.00 0.00 173.24 174.45 2jg1 s VAL 11 N -2.34 4.59 -0.20 5.02 1.01 -0.32 0.61 120.40 128.76 2jg1 s VAL 11 Ca -0.07 -0.09 -0.23 0.00 0.00 0.00 0.00 61.98 61.58 2jg1 s VAL 11 Cb -0.03 -4.45 -0.02 0.00 0.00 0.00 0.00 36.38 31.89 2jg1 s VAL 11 CO -0.04 -1.00 0.75 -1.81 0.00 0.00 0.00 175.10 173.00 2jg1 s ASP 12 N 2.83 6.81 -0.21 3.32 1.01 -0.21 -1.94 116.67 128.30 2jg1 s ASP 12 Ca 0.23 1.00 -0.06 0.00 0.71 0.00 0.00 52.55 54.43 2jg1 s ASP 12 Cb -0.16 -2.41 -0.03 0.00 1.01 0.00 0.00 42.92 41.34 2jg1 s ASP 12 CO 0.15 -0.39 0.03 -0.63 0.21 0.00 0.00 175.17 174.54 2jg1 s ILE 13 N 2.30 4.21 -0.19 0.77 1.01 -0.12 -1.07 121.20 128.11 2jg1 s ILE 13 Ca 0.33 -0.22 -0.04 0.00 0.00 0.00 0.00 60.65 60.73 2jg1 s ILE 13 Cb -0.16 -2.92 -0.02 0.00 0.01 0.00 0.00 42.46 39.38 2jg1 s ILE 13 CO 0.10 0.42 -0.05 -0.55 0.00 0.00 0.00 174.94 174.86 2jg1 s SER 14 N 0.99 4.44 -0.45 3.58 0.15 0.71 -1.09 113.70 122.03 2jg1 s SER 14 Ca 0.03 -0.30 -0.02 0.00 0.70 0.00 0.00 55.95 56.35 2jg1 s SER 14 Cb -0.14 -1.74 0.12 0.00 -1.71 0.00 0.00 66.02 62.54 2jg1 s SER 14 CO 0.02 0.06 0.24 -0.31 1.20 0.00 0.00 173.24 174.45 2jg1 s TYR 15 N 1.03 3.55 -0.25 3.44 4.12 0.56 -2.32 117.35 127.48 2jg1 s TYR 15 Ca 0.01 -2.55 -0.28 0.00 0.02 0.00 0.00 57.07 54.27 2jg1 s TYR 15 Cb -0.15 -3.19 0.01 0.00 -1.52 0.00 0.00 41.96 37.11 2jg1 s TYR 15 CO 0.00 -0.94 1.01 -1.25 0.02 0.00 0.00 175.55 174.40 2jg1 s PRO 16 N 0.83 4.21 0.06 -1.71 0.04 -1.26 -1.16 135.00 136.01 2jg1 s PRO 16 Ca 0.11 1.24 0.09 0.00 0.04 0.00 0.00 61.00 62.48 2jg1 s PRO 16 Cb -0.22 -3.66 -0.03 0.00 0.04 0.00 0.00 34.50 30.63 2jg1 s PRO 16 CO -0.04 -0.66 -0.23 -0.51 0.04 0.00 0.00 177.00 175.60 2jg1 s LEU 17 N 3.21 2.36 0.05 -3.56 1.43 0.67 -4.70 118.68 118.14 2jg1 s LEU 17 Ca 0.43 -0.56 -0.24 0.00 -1.03 0.00 0.00 54.13 52.73 2jg1 s LEU 17 Cb -0.15 -1.37 -0.17 0.00 0.03 0.00 0.00 46.19 44.54 2jg1 s LEU 17 CO 0.08 0.24 1.55 0.74 0.23 0.00 0.00 176.35 179.19 2jg1 h THR 18 N 4.06 1.13 -3.82 5.49 2.02 -1.96 -3.38 112.91 116.46 2jg1 h THR 18 Ca -0.48 -0.44 -0.15 0.00 0.77 0.00 0.00 66.41 66.11 2jg1 h THR 18 Cb 1.15 1.43 -0.20 0.00 -1.74 0.00 0.00 68.15 68.79 2jg1 h THR 18 CO 0.44 0.11 -0.60 0.00 0.37 0.00 0.00 175.52 175.84 2jg1 s ALA 19 N -5.44 -0.03 -0.44 6.16 0.00 -1.26 -3.95 121.76 116.80 2jg1 s ALA 19 Ca -0.14 -0.47 -0.19 0.00 0.00 0.00 0.00 51.96 51.15 2jg1 s ALA 19 Cb 0.04 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.35 2jg1 s ALA 19 CO 0.66 -0.21 0.54 -1.17 0.00 0.00 0.00 175.76 175.59 2jg1 s LEU 20 N -1.62 4.72 -0.43 0.00 2.96 -1.26 -5.04 118.68 118.01 2jg1 s LEU 20 Ca -0.13 -0.56 -0.22 0.00 -0.22 0.00 0.00 54.13 53.00 2jg1 s LEU 20 Cb -0.07 -2.54 0.02 0.00 0.50 0.00 0.00 46.19 44.10 2jg1 s LEU 20 CO -0.01 -0.70 0.74 -0.54 -1.32 0.00 0.00 176.35 174.52 2jg1 s LYS 21 N 2.48 3.42 0.37 1.98 1.02 -1.26 -5.04 119.74 122.71 2jg1 s LYS 21 Ca 0.17 -0.13 -0.25 0.00 0.02 0.00 0.00 55.97 55.78 2jg1 s LYS 21 Cb -0.16 -3.92 -0.09 0.00 -0.52 0.00 0.00 37.83 33.14 2jg1 s LYS 21 CO 0.16 -1.04 1.04 -0.51 -0.92 0.00 0.00 175.35 174.08 2jg1 s LEU 22 N 3.11 4.23 -1.72 3.17 1.43 -1.26 -3.32 118.68 124.32 2jg1 s LEU 22 Ca 0.28 2.04 0.00 0.00 -1.03 0.00 0.00 54.13 55.42 2jg1 s LEU 22 Cb -0.13 -4.08 0.00 0.00 0.03 0.00 0.00 46.19 42.02 2jg1 s LEU 22 CO 0.21 -0.38 0.00 -0.67 0.23 0.00 0.00 176.35 175.74 2jg1 n ASP 23 N 0.21 -5.66 -3.58 2.29 2.03 -1.26 -4.98 116.55 105.59 2jg1 n ASP 23 Ca 0.04 0.01 -0.13 0.00 0.52 0.00 0.00 54.79 55.23 2jg1 n ASP 23 Cb 0.49 -4.70 -0.05 0.00 -0.72 0.00 0.00 41.12 36.14 2jg1 n ASP 23 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jg1 s ASP 24 N -2.14 0.52 0.12 1.67 -1.08 -1.21 -5.15 116.67 109.40 2jg1 s ASP 24 Ca 0.00 -1.31 -0.27 0.00 -0.52 0.00 0.00 52.55 50.45 2jg1 s ASP 24 Cb 0.00 0.61 -0.07 0.00 -1.46 0.00 0.00 42.92 42.00 2jg1 s ASP 24 CO 0.00 -1.20 0.86 -0.69 0.52 0.00 0.00 175.17 174.66 2jg1 s VAL 25 N -3.47 4.47 -0.20 1.11 1.01 -1.26 -4.91 120.40 117.16 2jg1 s VAL 25 Ca 0.29 1.86 0.01 0.00 0.00 0.00 0.00 61.98 64.14 2jg1 s VAL 25 Cb 0.00 -4.22 0.04 0.00 0.00 0.00 0.00 36.38 32.20 2jg1 s VAL 25 CO 0.16 0.41 -0.12 0.20 0.00 0.00 0.00 175.10 175.74 2jg1 s ASN 26 N -0.45 3.37 -0.39 3.32 0.01 -1.26 -4.90 114.94 114.63 2jg1 s ASN 26 Ca 0.41 -0.85 -0.19 0.00 -0.71 0.00 0.00 52.86 51.52 2jg1 s ASN 26 Cb -0.23 -1.30 0.01 0.00 0.41 0.00 0.00 41.25 40.14 2jg1 s ASN 26 CO 0.27 -0.12 0.54 -0.13 -1.51 0.00 0.00 177.10 176.16 2jg1 s ARG 27 N 1.36 3.41 0.23 -0.60 0.52 -1.26 -5.05 118.95 117.56 2jg1 s ARG 27 Ca -0.00 -0.35 -0.20 0.00 -0.52 0.00 0.00 55.73 54.66 2jg1 s ARG 27 Cb -0.16 -3.89 -0.08 0.00 0.52 0.00 0.00 34.95 31.34 2jg1 s ARG 27 CO -0.09 -0.80 0.74 0.14 0.02 0.00 0.00 175.30 175.31 2jg1 s VAL 28 N 2.48 4.55 -0.26 3.52 -7.23 -1.26 -5.01 120.40 117.19 2jg1 s VAL 28 Ca 0.19 1.32 -0.11 0.00 -1.81 0.00 0.00 61.98 61.56 2jg1 s VAL 28 Cb -0.15 -3.86 -0.15 0.00 0.56 0.00 0.00 36.38 32.77 2jg1 s VAL 28 CO 0.15 0.20 -0.20 0.00 -0.31 0.00 0.00 175.10 174.94 2jg1 n GLN 29 N 0.69 0.61 -3.50 4.82 6.02 -1.26 -4.81 117.38 119.94 2jg1 n GLN 29 Ca -0.02 0.28 -0.29 0.00 -0.01 0.00 0.00 57.00 56.96 2jg1 n GLN 29 Cb 0.51 -1.55 -0.08 0.00 1.02 0.00 0.00 30.24 30.14 2jg1 n GLN 29 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2jg1 n GLU 30 N -4.01 2.56 -2.24 -1.09 2.13 -1.26 -5.07 120.64 111.65 2jg1 n GLU 30 Ca -0.48 -4.62 -0.38 0.00 0.66 0.00 0.00 57.16 52.34 2jg1 n GLU 30 Cb 0.89 -2.30 -0.01 0.00 0.27 0.00 0.00 31.44 30.29 2jg1 n GLU 30 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2jg1 s VAL 31 N -2.23 3.06 -0.08 6.31 0.11 -1.26 -4.52 120.40 121.78 2jg1 s VAL 31 Ca 0.35 0.84 0.01 0.00 -2.93 0.00 0.00 61.98 60.26 2jg1 s VAL 31 Cb 0.09 -3.45 0.02 0.00 -1.53 0.00 0.00 36.38 31.50 2jg1 s VAL 31 CO -0.04 0.04 -0.11 -0.55 -3.33 0.00 0.00 175.10 171.10 2jg1 s SER 32 N -1.21 1.94 -0.12 3.54 0.15 -0.98 -4.99 113.70 112.03 2jg1 s SER 32 Ca 0.61 -0.31 0.01 0.00 0.70 0.00 0.00 55.95 56.96 2jg1 s SER 32 Cb -0.30 -0.85 0.02 0.00 -1.71 0.00 0.00 66.02 63.17 2jg1 s SER 32 CO 0.38 -0.01 -0.15 -0.54 1.20 0.00 0.00 173.24 174.11 2jg1 s LYS 33 N 1.00 2.29 0.12 5.44 1.02 -1.26 -0.20 119.74 128.14 2jg1 s LYS 33 Ca -0.08 -0.58 0.04 0.00 0.02 0.00 0.00 55.97 55.37 2jg1 s LYS 33 Cb -0.15 -1.97 -0.04 0.00 -0.52 0.00 0.00 37.83 35.15 2jg1 s LYS 33 CO -0.00 -0.10 -0.09 0.95 -0.92 0.00 0.00 175.35 175.19 2jg1 s THR 34 N 1.08 0.97 -0.35 2.17 -4.23 -0.24 -4.96 115.64 110.08 2jg1 s THR 34 Ca -0.04 -1.87 -0.29 0.00 -1.18 0.00 0.00 61.69 58.31 2jg1 s THR 34 Cb -0.14 -1.62 0.00 0.00 1.34 0.00 0.00 72.50 72.08 2jg1 s THR 34 CO -0.03 -0.70 1.40 0.00 -0.54 0.00 0.00 174.62 174.74 2jg1 s ALA 35 N -3.04 3.17 0.36 3.99 0.00 -1.26 -1.04 121.76 123.94 2jg1 s ALA 35 Ca 0.11 -0.00 0.08 0.00 0.00 0.00 0.00 51.96 52.15 2jg1 s ALA 35 Cb 0.01 -3.88 -0.04 0.00 0.00 0.00 0.00 23.12 19.21 2jg1 s ALA 35 CO -0.01 -2.14 0.16 0.20 0.00 0.00 0.00 175.76 173.97 2jg1 s GLY 36 N 3.60 2.03 0.00 0.00 0.00 0.20 -4.86 107.32 108.28 2jg1 s GLY 36 Ca 0.61 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 43.45 2jg1 s GLY 36 CO 0.29 -1.78 0.00 0.61 0.00 0.00 0.00 173.10 172.22 2jg1 n GLY 37 N -1.19 4.44 0.26 0.20 0.00 -1.26 -1.31 105.19 106.34 2jg1 n GLY 37 Ca -0.02 -1.34 -0.09 0.00 0.00 0.00 0.00 46.02 44.57 2jg1 n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jg1 h LYS 38 N 0.00 0.81 0.00 1.61 1.57 -1.91 -2.23 116.57 116.42 2jg1 h LYS 38 Ca 0.00 -0.35 -0.05 0.00 -1.87 0.00 0.00 60.65 58.39 2jg1 h LYS 38 Cb 0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2jg1 h LYS 38 CO 0.00 0.98 -0.22 0.78 -0.57 0.00 0.00 179.45 180.42 2jg1 h GLY 39 N 0.94 0.00 1.92 3.86 0.00 -1.77 -2.06 103.07 105.96 2jg1 h GLY 39 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.22 2jg1 h GLY 39 CO 0.06 0.00 -0.93 1.41 0.00 0.00 0.00 176.54 177.08 2jg1 h LEU 40 N 0.00 0.09 -0.20 3.11 3.38 -1.78 -1.57 115.31 118.34 2jg1 h LEU 40 Ca -0.00 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2jg1 h LEU 40 Cb 0.42 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2jg1 h LEU 40 CO 0.03 0.97 0.11 0.78 0.09 0.00 0.00 178.44 180.41 2jg1 h ASN 41 N 0.03 0.25 -0.46 -0.43 2.35 -1.17 -0.21 115.58 115.94 2jg1 h ASN 41 Ca -0.03 -0.08 0.09 0.00 -0.55 0.00 0.00 56.30 55.73 2jg1 h ASN 41 Cb 1.62 -0.06 -0.07 0.00 0.05 0.00 0.00 38.32 39.85 2jg1 h ASN 41 CO 0.13 0.26 0.02 0.58 -1.65 0.00 0.00 177.43 176.77 2jg1 h VAL 42 N 0.22 0.66 -0.27 2.81 2.07 -1.38 -1.84 116.25 118.52 2jg1 h VAL 42 Ca 0.07 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.55 2jg1 h VAL 42 Cb 0.07 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 2jg1 h VAL 42 CO -0.01 0.02 0.16 0.74 0.02 0.00 0.00 177.57 178.51 2jg1 h THR 43 N 0.13 1.04 -0.30 2.57 2.02 -1.14 -0.80 112.91 116.44 2jg1 h THR 43 Ca 0.23 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.29 2jg1 h THR 43 Cb 0.33 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 2jg1 h THR 43 CO -0.37 0.06 0.18 0.03 0.37 0.00 0.00 175.52 175.80 2jg1 h ARG 44 N 0.34 0.40 -0.69 6.66 3.08 -0.81 -1.02 114.38 122.34 2jg1 h ARG 44 Ca 0.10 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 2jg1 h ARG 44 Cb -0.01 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 2jg1 h ARG 44 CO -0.04 0.30 0.27 0.28 -1.07 0.00 0.00 179.97 179.71 2jg1 h VAL 45 N 0.38 1.24 -0.84 2.04 2.07 -1.16 -0.74 116.25 119.24 2jg1 h VAL 45 Ca 0.11 -0.77 0.05 0.00 0.82 0.00 0.00 66.70 66.91 2jg1 h VAL 45 Cb 0.00 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.17 2jg1 h VAL 45 CO -0.02 0.31 0.53 -0.07 0.02 0.00 0.00 177.57 178.34 2jg1 h LEU 46 N 0.98 0.85 -0.67 2.57 3.38 -0.91 -0.55 115.31 120.96 2jg1 h LEU 46 Ca 0.23 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.10 2jg1 h LEU 46 Cb 0.21 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2jg1 h LEU 46 CO -0.02 0.56 -0.12 0.00 0.09 0.00 0.00 178.44 178.96 2jg1 h ALA 47 N 1.38 0.87 -0.25 1.53 0.00 -0.57 -0.75 119.26 121.47 2jg1 h ALA 47 Ca 0.36 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2jg1 h ALA 47 Cb 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2jg1 h ALA 47 CO -0.15 0.64 0.10 1.96 0.00 0.00 0.00 179.25 181.80 2jg1 h GLN 48 N 0.81 0.37 -0.16 0.00 4.20 -0.71 -2.32 115.11 117.29 2jg1 h GLN 48 Ca 0.13 -0.07 0.05 0.00 0.06 0.00 0.00 58.65 58.82 2jg1 h GLN 48 Cb 0.65 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 2jg1 h GLN 48 CO 0.05 0.40 0.12 0.28 -0.67 0.00 0.00 178.83 179.01 2jg1 h VAL 49 N 0.25 0.91 0.00 -0.54 2.07 -1.00 -3.47 116.25 114.46 2jg1 h VAL 49 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.60 2jg1 h VAL 49 Cb 0.17 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2jg1 h VAL 49 CO -0.01 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.19 2jg1 n GLY 50 N -1.57 0.82 3.80 2.17 0.00 -0.38 -5.09 105.19 104.94 2jg1 n GLY 50 Ca 0.01 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 2jg1 n GLY 50 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jg1 s GLU 51 N -0.62 4.29 0.02 1.61 0.41 -0.65 -5.01 118.70 118.75 2jg1 s GLU 51 Ca 0.00 1.23 -0.30 0.00 -0.41 0.00 0.00 54.97 55.49 2jg1 s GLU 51 Cb 0.00 -2.38 -0.06 0.00 -1.78 0.00 0.00 34.13 29.91 2jg1 s GLU 51 CO 0.00 0.01 1.50 -1.25 -0.49 0.00 0.00 175.26 175.04 2jg1 s PRO 52 N -2.81 4.25 -0.02 0.39 0.04 -1.26 -4.57 135.00 131.02 2jg1 s PRO 52 Ca 0.59 2.11 -0.03 0.00 0.04 0.00 0.00 61.00 63.71 2jg1 s PRO 52 Cb -0.13 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 30.81 2jg1 s PRO 52 CO 0.18 -0.65 0.07 0.54 0.04 0.00 0.00 177.00 177.18 2jg1 s VAL 53 N 2.56 0.03 -0.07 -0.36 0.11 -1.26 -1.15 120.40 120.25 2jg1 s VAL 53 Ca 0.68 -0.23 0.03 0.00 -2.93 0.00 0.00 61.98 59.53 2jg1 s VAL 53 Cb -0.34 -0.17 0.00 0.00 -1.53 0.00 0.00 36.38 34.34 2jg1 s VAL 53 CO 0.29 -0.12 -0.18 -0.22 -3.33 0.00 0.00 175.10 171.53 2jg1 s LEU 54 N -0.37 1.86 -0.15 2.54 2.96 0.16 -4.28 118.68 121.41 2jg1 s LEU 54 Ca -0.04 -0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 53.34 2jg1 s LEU 54 Cb -0.03 -1.08 -0.05 0.00 0.50 0.00 0.00 46.19 45.53 2jg1 s LEU 54 CO 0.00 0.11 0.24 0.00 -1.32 0.00 0.00 176.35 175.38 2jg1 s ALA 55 N 0.42 3.67 0.28 5.97 0.00 -0.28 -1.67 121.76 130.15 2jg1 s ALA 55 Ca -0.14 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.35 2jg1 s ALA 55 Cb -0.16 -2.27 -0.02 0.00 0.00 0.00 0.00 23.12 20.67 2jg1 s ALA 55 CO 0.05 0.22 0.16 0.45 0.00 0.00 0.00 175.76 176.65 2jg1 n SER 56 N 3.16 0.34 0.00 0.00 2.88 -0.34 -0.40 113.62 119.27 2jg1 n SER 56 Ca -0.14 -2.66 0.00 0.00 -1.33 0.00 0.00 58.87 54.73 2jg1 n SER 56 Cb 0.52 1.02 0.00 0.00 -0.75 0.00 0.00 64.21 65.01 2jg1 n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jg1 n GLY 57 N -0.27 0.84 3.44 0.46 0.00 -1.26 -1.60 105.19 106.80 2jg1 n GLY 57 Ca 0.01 -1.73 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 2jg1 n GLY 57 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jg1 s PHE 58 N -3.47 2.83 0.05 1.61 0.40 -1.19 -0.13 117.98 118.08 2jg1 s PHE 58 Ca 0.00 -0.39 0.03 0.00 -0.60 0.00 0.00 56.93 55.98 2jg1 s PHE 58 Cb 0.00 -1.79 -0.03 0.00 0.51 0.00 0.00 43.02 41.71 2jg1 s PHE 58 CO 0.00 -0.02 -0.10 0.96 0.70 0.00 0.00 175.22 176.76 2jg1 s ILE 59 N -0.06 0.76 -0.07 0.64 -4.36 -0.61 -4.43 121.20 113.07 2jg1 s ILE 59 Ca -0.02 -1.19 -0.17 0.00 -0.26 0.00 0.00 60.65 59.01 2jg1 s ILE 59 Cb -0.14 -0.81 0.04 0.00 1.25 0.00 0.00 42.46 42.80 2jg1 s ILE 59 CO 0.03 -0.34 0.41 -0.83 0.24 0.00 0.00 174.94 174.45 2jg1 s GLY 60 N -1.68 -0.27 0.00 6.27 0.00 -1.26 -0.75 107.32 109.62 2jg1 s GLY 60 Ca -0.06 0.77 0.00 0.00 0.00 0.00 0.00 44.72 45.43 2jg1 s GLY 60 CO 0.01 0.56 0.00 0.61 0.00 0.00 0.00 173.10 174.28 2jg1 n GLY 61 N 1.75 -1.56 0.21 0.20 0.00 -1.24 -1.36 105.19 103.18 2jg1 n GLY 61 Ca -0.18 -1.25 -0.00 0.00 0.00 0.00 0.00 46.02 44.58 2jg1 n GLY 61 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jg1 h GLU 62 N 0.00 0.20 -0.34 1.61 3.07 -1.95 -2.21 114.58 114.96 2jg1 h GLU 62 Ca 0.00 -0.08 -0.10 0.00 -0.50 0.00 0.00 59.36 58.68 2jg1 h GLU 62 Cb 0.00 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 2jg1 h GLU 62 CO 0.00 0.51 -0.20 -0.07 -1.40 0.00 0.00 179.01 177.84 2jg1 h LEU 63 N 0.17 0.66 -0.86 1.33 3.38 -1.86 -2.06 115.31 116.07 2jg1 h LEU 63 Ca 0.02 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.80 2jg1 h LEU 63 Cb 0.67 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 2jg1 h LEU 63 CO 0.05 0.86 0.56 1.23 0.09 0.00 0.00 178.44 181.23 2jg1 h GLY 64 N 0.99 1.24 0.85 0.83 0.00 -0.83 -2.17 103.07 103.97 2jg1 h GLY 64 Ca 0.09 -0.44 0.06 0.00 0.00 0.00 0.00 47.33 47.04 2jg1 h GLY 64 CO 0.05 0.39 0.61 1.46 0.00 0.00 0.00 176.54 179.05 2jg1 h GLN 65 N 1.12 1.07 -0.34 4.80 4.20 -1.12 -2.05 115.11 122.78 2jg1 h GLN 65 Ca 0.33 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.95 2jg1 h GLN 65 Cb -0.05 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.47 2jg1 h GLN 65 CO -0.10 0.71 0.09 0.35 -0.67 0.00 0.00 178.83 179.21 2jg1 h PHE 66 N 1.10 0.55 -0.45 2.96 3.57 -0.92 -1.66 116.94 122.10 2jg1 h PHE 66 Ca 0.40 -0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.89 2jg1 h PHE 66 Cb 0.15 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.68 2jg1 h PHE 66 CO -0.00 0.55 0.16 0.82 -2.23 0.00 0.00 178.31 177.62 2jg1 h ILE 67 N 0.39 0.87 -0.60 1.41 2.04 -1.03 -0.53 117.51 120.04 2jg1 h ILE 67 Ca 0.11 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.86 2jg1 h ILE 67 Cb 0.27 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 2jg1 h ILE 67 CO -0.00 0.06 0.40 0.00 0.00 0.00 0.00 178.15 178.61 2jg1 h ALA 68 N 1.29 0.76 -0.38 1.87 0.00 -1.28 -2.41 119.26 119.12 2jg1 h ALA 68 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2jg1 h ALA 68 Cb 0.20 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2jg1 h ALA 68 CO -0.21 0.19 0.24 -0.22 0.00 0.00 0.00 179.25 179.26 2jg1 h LYS 69 N 0.81 0.50 -0.63 0.00 3.64 -0.80 0.72 116.57 120.81 2jg1 h LYS 69 Ca 0.22 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.59 2jg1 h LYS 69 Cb -0.09 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.58 2jg1 h LYS 69 CO -0.05 0.35 0.39 0.87 -2.27 0.00 0.00 179.45 178.74 2jg1 h LYS 70 N 0.51 0.76 -0.41 1.90 1.79 -0.86 -0.99 116.57 119.26 2jg1 h LYS 70 Ca 0.14 -0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 58.47 2jg1 h LYS 70 Cb -0.04 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.43 2jg1 h LYS 70 CO -0.03 0.50 -0.08 -0.07 -1.08 0.00 0.00 179.45 178.69 2jg1 h LEU 71 N 0.78 0.79 -0.92 2.94 3.38 -1.31 -2.59 115.31 118.39 2jg1 h LEU 71 Ca 0.25 -0.35 0.11 0.00 0.09 0.00 0.00 57.88 57.98 2jg1 h LEU 71 Cb -0.01 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 40.44 2jg1 h LEU 71 CO -0.09 0.96 0.55 0.44 0.09 0.00 0.00 178.44 180.39 2jg1 h ASP 72 N 0.61 0.79 1.34 -0.43 3.32 -0.48 -0.28 116.42 121.28 2jg1 h ASP 72 Ca 0.11 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2jg1 h ASP 72 Cb 0.60 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.05 2jg1 h ASP 72 CO 0.04 0.42 0.00 -0.74 -1.72 0.00 0.00 179.24 177.24 2jg1 h HIS 73 N 0.88 0.00 -0.39 4.55 2.76 -1.05 -2.77 115.15 119.13 2jg1 h HIS 73 Ca 0.46 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.63 2jg1 h HIS 73 Cb 0.46 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.42 2jg1 h HIS 73 CO -0.03 0.00 0.00 0.00 -1.30 0.00 0.00 177.93 176.60 2jg1 n ALA 74 N -2.07 2.43 -3.78 5.26 0.00 -0.67 -4.95 120.51 116.73 2jg1 n ALA 74 Ca 0.02 -0.95 -0.29 0.00 0.00 0.00 0.00 53.44 52.22 2jg1 n ALA 74 Cb 0.38 -0.92 0.01 0.00 0.00 0.00 0.00 19.45 18.92 2jg1 n ALA 74 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jg1 n ASP 75 N 1.33 -4.47 -4.65 0.00 8.00 -0.85 -4.99 116.55 110.92 2jg1 n ASP 75 Ca 0.19 -0.69 -0.37 0.00 0.71 0.00 0.00 54.79 54.63 2jg1 n ASP 75 Cb 0.56 -3.60 -0.09 0.00 -0.02 0.00 0.00 41.12 37.97 2jg1 n ASP 75 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jg1 s ILE 76 N -3.20 5.30 0.29 0.53 1.01 -0.20 -5.03 121.20 119.89 2jg1 s ILE 76 Ca 0.60 0.35 -0.29 0.00 0.00 0.00 0.00 60.65 61.31 2jg1 s ILE 76 Cb -0.31 -3.58 -0.10 0.00 0.01 0.00 0.00 42.46 38.49 2jg1 s ILE 76 CO 0.74 0.29 1.14 -0.54 0.00 0.00 0.00 174.94 176.57 2jg1 s LYS 77 N 1.29 4.59 0.03 2.79 1.02 -1.26 -4.28 119.74 123.92 2jg1 s LYS 77 Ca 0.11 1.88 -0.03 0.00 0.02 0.00 0.00 55.97 57.95 2jg1 s LYS 77 Cb -0.14 -3.16 -0.02 0.00 -0.52 0.00 0.00 37.83 33.98 2jg1 s LYS 77 CO 0.07 0.14 0.02 -3.38 -0.92 0.00 0.00 175.35 171.28 2jg1 s HIS 78 N -1.16 0.30 -0.44 3.18 -3.43 -1.26 -1.12 115.29 111.36 2jg1 s HIS 78 Ca 0.45 -0.66 0.07 0.00 -0.80 0.00 0.00 55.06 54.13 2jg1 s HIS 78 Cb -0.33 -0.22 0.27 0.00 -1.43 0.00 0.00 32.58 30.87 2jg1 s HIS 78 CO 0.43 -0.31 0.79 0.00 -2.00 0.00 0.00 174.74 173.65 2jg1 n ALA 79 N 0.88 0.37 -1.68 -1.38 0.00 0.47 -4.89 120.51 114.28 2jg1 n ALA 79 Ca -0.19 -2.32 -0.32 0.00 0.00 0.00 0.00 53.44 50.61 2jg1 n ALA 79 Cb 0.58 -1.09 0.01 0.00 0.00 0.00 0.00 19.45 18.96 2jg1 n ALA 79 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2jg1 s PHE 80 N -0.39 3.12 -0.18 0.00 0.40 -1.26 -4.48 117.98 115.18 2jg1 s PHE 80 Ca 0.32 1.47 -0.17 0.00 -0.60 0.00 0.00 56.93 57.96 2jg1 s PHE 80 Cb 0.24 -2.93 -0.04 0.00 0.51 0.00 0.00 43.02 40.80 2jg1 s PHE 80 CO -0.15 -1.02 0.44 -0.47 0.70 0.00 0.00 175.22 174.72 2jg1 s TYR 81 N -2.66 3.41 0.04 0.36 5.04 0.82 -4.92 117.35 119.44 2jg1 s TYR 81 Ca 0.61 0.71 -0.29 0.00 -2.44 0.00 0.00 57.07 55.66 2jg1 s TYR 81 Cb -0.14 -2.55 -0.04 0.00 0.35 0.00 0.00 41.96 39.57 2jg1 s TYR 81 CO 0.41 0.02 0.93 -0.80 -1.34 0.00 0.00 175.55 174.78 2jg1 s ASN 82 N 0.95 7.38 0.41 4.32 0.01 -1.26 -1.57 114.94 125.18 2jg1 s ASN 82 Ca 0.21 1.66 0.07 0.00 -0.71 0.00 0.00 52.86 54.10 2jg1 s ASN 82 Cb -0.15 -2.56 -0.05 0.00 0.41 0.00 0.00 41.25 38.91 2jg1 s ASN 82 CO 0.09 -0.15 0.21 0.27 -1.51 0.00 0.00 177.10 176.01 2jg1 s ILE 83 N 0.51 2.40 0.15 0.60 -4.36 0.07 -4.94 121.20 115.63 2jg1 s ILE 83 Ca 0.48 -1.63 0.05 0.00 -0.26 0.00 0.00 60.65 59.28 2jg1 s ILE 83 Cb -0.22 -3.00 -0.17 0.00 1.25 0.00 0.00 42.46 40.33 2jg1 s ILE 83 CO 0.28 -0.01 1.35 0.11 0.24 0.00 0.00 174.94 176.91 2jg1 h LYS 84 N 1.36 0.09 -7.44 0.37 1.57 -1.92 -3.41 116.57 107.20 2jg1 h LYS 84 Ca -0.43 -0.12 -0.41 0.00 -1.87 0.00 0.00 60.65 57.83 2jg1 h LYS 84 Cb 1.25 0.04 0.20 0.00 0.08 0.00 0.00 32.23 33.80 2jg1 h LYS 84 CO 0.67 0.95 0.15 0.20 -0.57 0.00 0.00 179.45 180.85 2jg1 s GLY 85 N -4.60 1.61 -0.11 3.86 0.00 -1.26 -4.85 107.32 101.96 2jg1 s GLY 85 Ca -0.01 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.63 2jg1 s GLY 85 CO 0.82 -0.15 -0.12 -0.54 0.00 0.00 0.00 173.10 173.11 2jg1 s GLU 86 N -5.54 3.18 0.32 2.90 2.02 -1.26 -3.70 118.70 116.62 2jg1 s GLU 86 Ca 0.72 -0.66 -0.28 0.00 0.02 0.00 0.00 54.97 54.77 2jg1 s GLU 86 Cb -0.07 -2.60 -0.13 0.00 0.10 0.00 0.00 34.13 31.42 2jg1 s GLU 86 CO 0.56 0.34 1.24 2.41 0.02 0.00 0.00 175.26 179.83 2jg1 n THR 87 N 3.17 1.86 -1.94 3.63 -1.04 -0.47 -3.91 114.28 115.58 2jg1 n THR 87 Ca -0.18 -0.46 -0.30 0.00 -2.04 0.00 0.00 64.05 61.06 2jg1 n THR 87 Cb 0.53 -1.43 0.02 0.00 -1.82 0.00 0.00 70.33 67.62 2jg1 n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jg1 s ARG 88 N -1.61 3.39 0.27 -2.82 1.70 -1.26 -4.77 118.95 113.85 2jg1 s ARG 88 Ca 0.58 0.62 0.02 0.00 -0.47 0.00 0.00 55.73 56.48 2jg1 s ARG 88 Cb -0.61 -2.09 -0.03 0.00 -0.57 0.00 0.00 34.95 31.65 2jg1 s ARG 88 CO 0.60 -0.67 0.44 -0.80 -1.08 0.00 0.00 175.30 173.79 2jg1 s ASN 89 N -4.23 6.33 0.06 -2.89 -0.87 -1.26 -1.17 114.94 110.91 2jg1 s ASN 89 Ca 0.55 0.31 0.04 0.00 -1.57 0.00 0.00 52.86 52.19 2jg1 s ASN 89 Cb -0.11 -1.97 -0.03 0.00 -0.02 0.00 0.00 41.25 39.13 2jg1 s ASN 89 CO 0.53 -0.16 -0.12 0.00 -2.57 0.00 0.00 177.10 174.78 2jg1 s ILE 91 N -1.28 2.19 -0.20 0.00 -1.09 0.54 -0.94 121.20 120.42 2jg1 s ILE 91 Ca -0.04 -1.00 0.01 0.00 -2.23 0.00 0.00 60.65 57.38 2jg1 s ILE 91 Cb -0.10 -1.82 0.04 0.00 -1.58 0.00 0.00 42.46 39.01 2jg1 s ILE 91 CO 0.02 0.57 -0.10 0.00 -1.23 0.00 0.00 174.94 174.19 2jg1 s ALA 92 N -0.03 1.98 -0.29 9.38 0.00 -0.25 -0.75 121.76 131.81 2jg1 s ALA 92 Ca -0.07 -1.18 -0.11 0.00 0.00 0.00 0.00 51.96 50.60 2jg1 s ALA 92 Cb -0.15 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 2jg1 s ALA 92 CO 0.05 -0.80 0.18 0.42 0.00 0.00 0.00 175.76 175.61 2jg1 s ILE 93 N 1.41 5.10 -0.37 0.00 1.01 0.13 -0.33 121.20 128.15 2jg1 s ILE 93 Ca -0.01 0.01 -0.11 0.00 0.00 0.00 0.00 60.65 60.54 2jg1 s ILE 93 Cb -0.16 -3.47 0.03 0.00 0.01 0.00 0.00 42.46 38.87 2jg1 s ILE 93 CO -0.08 0.21 0.20 -0.76 0.00 0.00 0.00 174.94 174.50 2jg1 s LEU 94 N 1.72 4.64 -0.11 2.97 1.43 -0.30 -0.70 118.68 128.33 2jg1 s LEU 94 Ca 0.07 -0.96 -0.05 0.00 -1.03 0.00 0.00 54.13 52.15 2jg1 s LEU 94 Cb -0.16 -2.01 0.05 0.00 0.03 0.00 0.00 46.19 44.10 2jg1 s LEU 94 CO 0.09 -0.37 0.25 -1.38 0.23 0.00 0.00 176.35 175.17 2jg1 s HIS 95 N 1.55 -0.35 -1.54 0.29 -3.43 -0.98 -0.24 115.29 110.60 2jg1 s HIS 95 Ca 0.02 0.83 -0.14 0.00 -0.80 0.00 0.00 55.06 54.97 2jg1 s HIS 95 Cb -0.19 0.01 0.09 0.00 -1.43 0.00 0.00 32.58 31.06 2jg1 s HIS 95 CO 0.06 -0.27 0.93 0.39 -2.00 0.00 0.00 174.74 173.85 2jg1 n GLU 96 N 4.59 -5.18 -0.89 -0.38 1.02 -1.25 -0.06 120.64 118.49 2jg1 n GLU 96 Ca -0.19 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 2jg1 n GLU 96 Cb 0.52 -5.45 0.00 0.00 -0.02 0.00 0.00 31.44 26.49 2jg1 n GLU 96 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jg1 n GLY 97 N -1.63 0.61 3.95 0.62 0.00 -1.26 -5.01 105.19 102.48 2jg1 n GLY 97 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 2jg1 n GLY 97 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jg1 s GLN 98 N -0.37 3.41 -0.26 1.61 -0.21 0.92 -5.10 119.66 119.64 2jg1 s GLN 98 Ca 0.00 -0.53 -0.00 0.00 0.02 0.00 0.00 55.36 54.85 2jg1 s GLN 98 Cb 0.00 -2.73 0.08 0.00 1.00 0.00 0.00 33.01 31.36 2jg1 s GLN 98 CO 0.00 0.19 0.04 -1.14 -2.12 0.00 0.00 175.29 172.26 2jg1 s GLN 99 N -4.23 1.03 -0.26 2.91 0.74 -1.26 -2.31 119.66 116.28 2jg1 s GLN 99 Ca 0.39 -0.98 -0.08 0.00 0.05 0.00 0.00 55.36 54.75 2jg1 s GLN 99 Cb -0.09 -2.30 -0.03 0.00 1.10 0.00 0.00 33.01 31.69 2jg1 s GLN 99 CO 0.34 -0.79 0.10 0.99 -0.55 0.00 0.00 175.29 175.37 2jg1 s THR 100 N 1.54 4.51 0.03 -0.34 2.01 0.12 -4.93 115.64 118.59 2jg1 s THR 100 Ca 0.03 -0.14 0.05 0.00 0.31 0.00 0.00 61.69 61.95 2jg1 s THR 100 Cb -0.18 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 2jg1 s THR 100 CO -0.14 0.30 -0.12 -1.61 -0.69 0.00 0.00 174.62 172.35 2jg1 s GLU 101 N 1.64 2.29 -0.16 4.92 2.02 -1.26 0.20 118.70 128.35 2jg1 s GLU 101 Ca 0.06 -0.87 0.00 0.00 0.02 0.00 0.00 54.97 54.18 2jg1 s GLU 101 Cb -0.15 -2.34 0.03 0.00 0.10 0.00 0.00 34.13 31.77 2jg1 s GLU 101 CO 0.05 0.56 -0.12 0.42 0.02 0.00 0.00 175.26 176.20 2jg1 s ILE 102 N -0.99 1.51 -0.18 -1.63 1.01 0.08 -4.98 121.20 116.02 2jg1 s ILE 102 Ca 0.16 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 60.10 2jg1 s ILE 102 Cb -0.11 -1.49 0.00 0.00 0.01 0.00 0.00 42.46 40.87 2jg1 s ILE 102 CO 0.07 0.35 -0.13 -0.76 0.00 0.00 0.00 174.94 174.46 2jg1 s LEU 103 N 1.49 2.52 0.23 2.97 1.43 -1.26 -0.34 118.68 125.72 2jg1 s LEU 103 Ca 0.03 -0.48 -0.17 0.00 -1.03 0.00 0.00 54.13 52.47 2jg1 s LEU 103 Cb -0.14 -1.59 -0.08 0.00 0.03 0.00 0.00 46.19 44.41 2jg1 s LEU 103 CO -0.10 0.04 0.69 -1.61 0.23 0.00 0.00 176.35 175.61 2jg1 s GLU 104 N 1.08 4.14 0.21 1.70 2.02 -1.23 -4.99 118.70 121.62 2jg1 s GLU 104 Ca -0.00 0.74 -0.10 0.00 0.02 0.00 0.00 54.97 55.63 2jg1 s GLU 104 Cb -0.14 -2.79 0.17 0.00 0.10 0.00 0.00 34.13 31.47 2jg1 s GLU 104 CO -0.04 0.36 1.87 0.37 0.02 0.00 0.00 175.26 177.85 2jg1 h GLN 105 N 3.17 0.96 0.00 1.61 4.15 -1.99 -3.49 115.11 119.53 2jg1 h GLN 105 Ca -0.48 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 58.88 2jg1 h GLN 105 Cb 1.19 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.66 2jg1 h GLN 105 CO 0.65 0.64 0.00 0.41 -1.93 0.00 0.00 178.83 178.60 2jg1 n GLY 106 N -1.31 -2.68 3.81 2.39 0.00 -1.26 -4.74 105.19 101.41 2jg1 n GLY 106 Ca 0.07 -1.90 -0.30 0.00 0.00 0.00 0.00 46.02 43.89 2jg1 n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jg1 s PRO 107 N -0.44 1.97 -0.13 1.61 0.04 -1.25 -4.85 135.00 131.94 2jg1 s PRO 107 Ca 0.00 0.56 -0.09 0.00 0.04 0.00 0.00 61.00 61.50 2jg1 s PRO 107 Cb 0.00 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 2jg1 s PRO 107 CO 0.00 -1.68 0.19 -2.00 0.04 0.00 0.00 177.00 173.55 2jg1 s GLU 108 N -5.20 3.77 -0.22 4.56 2.12 -1.26 -3.74 118.70 118.73 2jg1 s GLU 108 Ca 0.61 -0.07 -0.10 0.00 0.36 0.00 0.00 54.97 55.77 2jg1 s GLU 108 Cb -0.14 -3.28 -0.05 0.00 0.26 0.00 0.00 34.13 30.92 2jg1 s GLU 108 CO 0.54 0.59 0.15 0.42 -0.54 0.00 0.00 175.26 176.42 2jg1 s ILE 109 N -0.52 5.38 0.80 -3.70 -1.09 0.03 -4.63 121.20 117.47 2jg1 s ILE 109 Ca 0.14 0.19 -0.09 0.00 -2.23 0.00 0.00 60.65 58.66 2jg1 s ILE 109 Cb -0.12 -3.49 0.12 0.00 -1.58 0.00 0.00 42.46 37.39 2jg1 s ILE 109 CO 0.04 0.38 1.12 1.51 -1.23 0.00 0.00 174.94 176.76 2jg1 s ASP 110 N 0.78 4.12 0.30 3.58 3.84 -1.26 -4.13 116.67 123.91 2jg1 s ASP 110 Ca 0.08 0.22 -0.00 0.00 -0.00 0.00 0.00 52.55 52.85 2jg1 s ASP 110 Cb -0.13 -0.60 0.48 0.00 -1.38 0.00 0.00 42.92 41.30 2jg1 s ASP 110 CO 0.02 -2.06 1.89 0.78 -0.00 0.00 0.00 175.17 175.80 2jg1 h ASN 111 N -0.96 0.76 -0.46 2.11 2.35 -1.99 -1.52 115.58 115.87 2jg1 h ASN 111 Ca -0.43 -0.09 -0.08 0.00 -0.55 0.00 0.00 56.30 55.15 2jg1 h ASN 111 Cb 1.28 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.44 2jg1 h ASN 111 CO 0.49 0.68 -0.04 1.56 -1.65 0.00 0.00 177.43 178.46 2jg1 h GLN 112 N 0.83 0.85 -0.41 0.81 4.20 -1.99 -1.83 115.11 117.56 2jg1 h GLN 112 Ca 0.20 -0.29 -0.08 0.00 0.06 0.00 0.00 58.65 58.54 2jg1 h GLN 112 Cb 0.15 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 2jg1 h GLN 112 CO -0.02 0.92 -0.07 0.93 -0.67 0.00 0.00 178.83 179.92 2jg1 h GLU 113 N 0.69 0.77 -0.61 1.46 5.08 -1.89 0.28 114.58 120.36 2jg1 h GLU 113 Ca 0.13 -0.28 0.02 0.00 -1.00 0.00 0.00 59.36 58.23 2jg1 h GLU 113 Cb 0.56 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 2jg1 h GLU 113 CO 0.03 0.89 0.39 0.00 -1.00 0.00 0.00 179.01 179.32 2jg1 h ALA 114 N 0.86 0.79 -0.26 3.43 0.00 -1.25 -0.45 119.26 122.38 2jg1 h ALA 114 Ca 0.11 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 2jg1 h ALA 114 Cb 0.58 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2jg1 h ALA 114 CO 0.03 0.16 -0.58 0.00 0.00 0.00 0.00 179.25 178.86 2jg1 h ALA 115 N 1.25 0.47 -0.84 0.00 0.00 -1.24 -2.87 119.26 116.02 2jg1 h ALA 115 Ca 0.24 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2jg1 h ALA 115 Cb -0.03 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2jg1 h ALA 115 CO -0.08 0.68 0.54 0.78 0.00 0.00 0.00 179.25 181.17 2jg1 h GLY 116 N 0.71 1.20 1.17 0.00 0.00 -0.71 -2.38 103.07 103.06 2jg1 h GLY 116 Ca 0.01 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 46.77 2jg1 h GLY 116 CO 0.13 0.46 -0.01 -2.75 0.00 0.00 0.00 176.54 174.36 2jg1 h PHE 117 N 1.15 1.08 -0.88 5.60 3.57 -1.05 -1.73 116.94 124.69 2jg1 h PHE 117 Ca 0.31 -0.18 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 2jg1 h PHE 117 Cb -0.10 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.32 2jg1 h PHE 117 CO -0.01 0.97 0.45 0.82 -2.23 0.00 0.00 178.31 178.31 2jg1 h ILE 118 N 0.91 1.26 -0.51 1.41 1.08 -1.26 0.28 117.51 120.67 2jg1 h ILE 118 Ca 0.16 -0.70 -0.11 0.00 -0.39 0.00 0.00 64.86 63.83 2jg1 h ILE 118 Cb 0.55 0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 34.39 2jg1 h ILE 118 CO 0.03 0.31 -0.11 0.11 -0.69 0.00 0.00 178.15 177.80 2jg1 h LYS 119 N 1.24 0.95 -0.27 2.37 1.79 -1.31 -1.24 116.57 120.10 2jg1 h LYS 119 Ca 0.30 -0.34 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 2jg1 h LYS 119 Cb 0.08 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 2jg1 h LYS 119 CO -0.04 1.00 0.10 1.25 -1.08 0.00 0.00 179.45 180.68 2jg1 h HIS 120 N 0.85 0.42 0.12 -1.35 2.76 -0.72 -2.44 115.15 114.79 2jg1 h HIS 120 Ca 0.14 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 2jg1 h HIS 120 Cb 0.65 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.48 2jg1 h HIS 120 CO 0.04 0.44 -0.06 0.35 -1.30 0.00 0.00 177.93 177.40 2jg1 h PHE 121 N 0.29 -0.15 -0.77 5.26 3.57 -0.36 -2.77 116.94 122.00 2jg1 h PHE 121 Ca 0.09 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.76 2jg1 h PHE 121 Cb 0.20 0.05 -0.14 0.00 2.79 0.00 0.00 35.95 38.85 2jg1 h PHE 121 CO -0.00 -0.06 -0.07 0.93 -2.23 0.00 0.00 178.31 176.88 2jg1 h GLU 122 N -0.20 0.05 -5.43 1.11 5.08 -1.22 -3.47 114.58 110.51 2jg1 h GLU 122 Ca -0.02 -0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.13 2jg1 h GLU 122 Cb 0.15 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2jg1 h GLU 122 CO 0.03 0.04 0.62 -0.65 -1.00 0.00 0.00 179.01 178.05 2jg1 s GLN 123 N -6.16 2.09 0.00 2.33 -0.21 -0.92 -5.03 119.66 111.76 2jg1 s GLN 123 Ca -0.14 -0.58 0.00 0.00 0.02 0.00 0.00 55.36 54.67 2jg1 s GLN 123 Cb 0.23 -5.08 0.00 0.00 1.00 0.00 0.00 33.01 29.16 2jg1 s GLN 123 CO 0.75 -4.26 0.00 -0.85 -2.12 0.00 0.00 175.29 168.82 2jg1 n GLU 126 N 8.46 0.00 -0.11 2.91 0.28 -1.26 -5.07 120.64 125.86 2jg1 n GLU 126 Ca 0.43 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.50 2jg1 n GLU 126 Cb 0.46 -0.55 0.12 0.00 1.43 0.00 0.00 31.44 32.91 2jg1 n GLU 126 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2jg1 n LYS 127 N -2.00 1.87 -4.15 3.44 5.02 -1.26 -4.42 118.16 116.65 2jg1 n LYS 127 Ca 0.00 -1.75 -0.11 0.00 -2.02 0.00 0.00 58.31 54.44 2jg1 n LYS 127 Cb 0.00 -1.30 -0.10 0.00 -0.02 0.00 0.00 35.03 33.61 2jg1 n LYS 127 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2jg1 s VAL 128 N -1.07 0.65 0.00 -0.18 -7.23 -1.23 -4.44 120.40 106.89 2jg1 s VAL 128 Ca 0.22 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 2jg1 s VAL 128 Cb 0.13 -1.53 0.00 0.00 0.56 0.00 0.00 36.38 35.54 2jg1 s VAL 128 CO 0.18 -0.82 0.30 -0.62 -0.31 0.00 0.00 175.10 173.84 2jg1 n GLU 129 N 0.16 0.88 -3.61 4.82 1.02 -0.96 -4.90 120.64 118.06 2jg1 n GLU 129 Ca -0.14 -0.30 -0.15 0.00 -0.02 0.00 0.00 57.16 56.56 2jg1 n GLU 129 Cb 0.60 -0.77 -0.07 0.00 -0.02 0.00 0.00 31.44 31.18 2jg1 n GLU 129 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jg1 s ALA 130 N -0.21 -1.76 -0.13 0.62 0.00 -1.26 -4.17 121.76 114.85 2jg1 s ALA 130 Ca 0.00 1.83 0.02 0.00 0.00 0.00 0.00 51.96 53.81 2jg1 s ALA 130 Cb 0.00 -0.88 0.02 0.00 0.00 0.00 0.00 23.12 22.25 2jg1 s ALA 130 CO 0.00 -0.34 -0.17 0.08 0.00 0.00 0.00 175.76 175.33 2jg1 s VAL 131 N -0.01 1.66 -0.24 0.00 1.01 -0.77 -0.47 120.40 121.58 2jg1 s VAL 131 Ca -0.03 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 2jg1 s VAL 131 Cb -0.04 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 2jg1 s VAL 131 CO 0.03 0.47 0.07 0.00 0.00 0.00 0.00 175.10 175.68 2jg1 s ALA 132 N 1.06 3.21 -0.19 5.51 0.00 0.34 -0.49 121.76 131.20 2jg1 s ALA 132 Ca -0.04 -1.06 -0.00 0.00 0.00 0.00 0.00 51.96 50.86 2jg1 s ALA 132 Cb -0.15 -2.06 0.01 0.00 0.00 0.00 0.00 23.12 20.93 2jg1 s ALA 132 CO -0.04 -0.37 -0.15 0.42 0.00 0.00 0.00 175.76 175.62 2jg1 s ILE 133 N 1.40 2.45 0.03 0.00 1.01 0.16 -0.55 121.20 125.70 2jg1 s ILE 133 Ca 0.05 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 59.93 2jg1 s ILE 133 Cb -0.15 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.24 2jg1 s ILE 133 CO 0.04 0.51 -0.10 -0.44 0.00 0.00 0.00 174.94 174.95 2jg1 s SER 134 N 1.32 1.12 0.00 3.58 0.01 -1.23 -0.58 113.70 117.92 2jg1 s SER 134 Ca 0.05 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.87 2jg1 s SER 134 Cb -0.13 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.06 2jg1 s SER 134 CO -0.10 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.09 2jg1 n GLY 135 N 1.86 -0.09 3.96 3.44 0.00 -0.94 -4.43 105.19 108.99 2jg1 n GLY 135 Ca -0.19 -1.85 -0.22 0.00 0.00 0.00 0.00 46.02 43.75 2jg1 n GLY 135 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jg1 s SER 136 N -1.36 5.54 0.29 1.61 0.01 -1.26 -4.77 113.70 113.76 2jg1 s SER 136 Ca 0.00 0.19 -0.29 0.00 1.31 0.00 0.00 55.95 57.16 2jg1 s SER 136 Cb 0.00 -1.25 -0.09 0.00 0.21 0.00 0.00 66.02 64.89 2jg1 s SER 136 CO 0.00 -0.94 1.08 -0.76 0.41 0.00 0.00 173.24 173.03 2jg1 s LEU 137 N -4.70 4.52 0.78 2.44 1.43 -1.26 -4.58 118.68 117.32 2jg1 s LEU 137 Ca 0.53 2.22 -0.12 0.00 -1.03 0.00 0.00 54.13 55.74 2jg1 s LEU 137 Cb -0.10 -3.67 0.06 0.00 0.03 0.00 0.00 46.19 42.51 2jg1 s LEU 137 CO 0.39 -0.15 1.12 -2.16 0.23 0.00 0.00 176.35 175.78 2jg1 s PRO 138 N -1.52 2.09 0.45 1.29 0.04 -1.26 -4.98 135.00 131.11 2jg1 s PRO 138 Ca 0.45 1.34 -0.24 0.00 0.04 0.00 0.00 61.00 62.60 2jg1 s PRO 138 Cb -0.31 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 2jg1 s PRO 138 CO 0.39 -1.79 1.10 1.17 0.04 0.00 0.00 177.00 177.91 2jg1 n LYS 139 N -3.39 1.48 0.00 4.56 4.81 -1.25 -3.41 118.16 120.97 2jg1 n LYS 139 Ca 0.10 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 58.08 2jg1 n LYS 139 Cb 0.52 -2.19 0.00 0.00 0.02 0.00 0.00 35.03 33.38 2jg1 n LYS 139 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jg1 n GLY 140 N 1.06 2.90 3.74 3.14 0.00 -1.26 -0.79 105.19 113.97 2jg1 n GLY 140 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2jg1 n GLY 140 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jg1 s LEU 141 N 0.00 4.55 0.28 0.99 1.43 -1.22 -4.72 118.68 119.98 2jg1 s LEU 141 Ca 0.00 1.88 -0.28 0.00 -1.03 0.00 0.00 54.13 54.70 2jg1 s LEU 141 Cb 0.00 -3.60 -0.14 0.00 0.03 0.00 0.00 46.19 42.48 2jg1 s LEU 141 CO 0.00 -0.01 0.96 -3.20 0.23 0.00 0.00 176.35 174.33 2jg1 n ASN 142 N 2.32 1.02 0.20 2.29 2.85 -1.26 -4.83 115.26 117.85 2jg1 n ASN 142 Ca 0.01 1.17 0.13 0.00 -0.11 0.00 0.00 54.58 55.79 2jg1 n ASN 142 Cb 0.48 -1.25 0.70 0.00 1.24 0.00 0.00 39.78 40.95 2jg1 n ASN 142 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 2jg1 h GLN 143 N 1.89 0.00 -0.38 1.20 4.20 -1.99 -2.01 115.11 118.02 2jg1 h GLN 143 Ca -0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.33 2jg1 h GLN 143 Cb 1.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.13 2jg1 h GLN 143 CO 0.60 0.00 0.00 -0.40 -0.67 0.00 0.00 178.83 178.36 2jg1 n ASP 144 N -2.42 2.21 -0.25 1.46 5.75 -1.26 -4.62 116.55 117.42 2jg1 n ASP 144 Ca -0.02 -1.95 -0.06 0.00 -0.01 0.00 0.00 54.79 52.75 2jg1 n ASP 144 Cb 0.07 -0.25 0.05 0.00 -1.03 0.00 0.00 41.12 39.95 2jg1 n ASP 144 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 2jg1 h TYR 145 N 2.50 0.96 -0.46 2.11 3.20 -1.72 -0.07 116.97 123.50 2jg1 h TYR 145 Ca 0.00 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.75 2jg1 h TYR 145 Cb 0.57 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 2jg1 h TYR 145 CO 0.25 0.69 -0.08 1.88 -1.64 0.00 0.00 178.16 179.26 2jg1 h TYR 146 N 0.96 0.89 -0.67 -3.82 0.05 -1.86 -1.17 116.97 111.35 2jg1 h TYR 146 Ca 0.24 -0.16 0.04 0.00 0.05 0.00 0.00 58.73 58.91 2jg1 h TYR 146 Cb 0.05 -0.23 -0.05 0.00 1.01 0.00 0.00 36.73 37.52 2jg1 h TYR 146 CO -0.00 0.86 0.40 0.00 -1.05 0.00 0.00 178.16 178.37 2jg1 h ALA 147 N 1.16 0.88 -0.75 3.88 0.00 -1.66 0.35 119.26 123.14 2jg1 h ALA 147 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2jg1 h ALA 147 Cb 0.57 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2jg1 h ALA 147 CO 0.03 0.14 0.47 1.96 0.00 0.00 0.00 179.25 181.85 2jg1 h GLN 148 N 0.77 1.00 -0.27 0.00 4.20 -0.66 -1.18 115.11 118.97 2jg1 h GLN 148 Ca 0.28 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.87 2jg1 h GLN 148 Cb 0.08 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 2jg1 h GLN 148 CO -0.13 0.69 0.03 0.82 -0.67 0.00 0.00 178.83 179.57 2jg1 h ILE 149 N 1.02 1.24 -0.10 2.54 2.04 -0.86 -2.75 117.51 120.64 2jg1 h ILE 149 Ca 0.27 -0.83 -0.07 0.00 1.00 0.00 0.00 64.86 65.24 2jg1 h ILE 149 Cb -0.07 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2jg1 h ILE 149 CO -0.05 0.27 -0.24 0.40 0.00 0.00 0.00 178.15 178.52 2jg1 h ILE 150 N 0.27 1.22 -0.62 -0.67 2.04 -0.82 -1.75 117.51 117.17 2jg1 h ILE 150 Ca 0.08 -1.03 0.02 0.00 1.00 0.00 0.00 64.86 64.93 2jg1 h ILE 150 Cb 0.36 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 2jg1 h ILE 150 CO 0.01 0.31 0.40 -0.08 0.00 0.00 0.00 178.15 178.78 2jg1 h GLU 151 N 0.16 0.77 -0.47 2.37 4.81 -1.12 0.22 114.58 121.32 2jg1 h GLU 151 Ca 0.03 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 2jg1 h GLU 151 Cb 0.52 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 2jg1 h GLU 151 CO 0.04 0.51 0.01 0.00 -0.73 0.00 0.00 179.01 178.83 2jg1 h ARG 152 N 0.79 0.77 -0.03 1.92 2.47 -1.03 -0.49 114.38 118.78 2jg1 h ARG 152 Ca 0.24 -0.20 -0.00 0.00 -1.26 0.00 0.00 59.98 58.76 2jg1 h ARG 152 Cb -0.02 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.20 2jg1 h ARG 152 CO -0.08 0.77 0.00 0.00 0.56 0.00 0.00 179.97 181.23 2jg1 h GLN 154 N -0.21 0.38 -0.48 0.00 5.75 -0.33 0.05 115.11 120.26 2jg1 h GLN 154 Ca 0.01 -0.02 0.14 0.00 -0.15 0.00 0.00 58.65 58.63 2jg1 h GLN 154 Cb 0.29 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 2jg1 h GLN 154 CO 0.00 0.25 0.41 -0.91 -2.65 0.00 0.00 178.83 175.94 2jg1 h ASN 155 N 0.39 0.00 -0.14 -0.69 2.35 -1.13 -2.35 115.58 114.02 2jg1 h ASN 155 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 2jg1 h ASN 155 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2jg1 h ASN 155 CO -0.18 0.00 0.00 0.29 -1.65 0.00 0.00 177.43 175.89 2jg1 n LYS 156 N -4.04 1.43 -2.28 0.81 4.76 -0.41 -4.99 118.16 113.43 2jg1 n LYS 156 Ca 0.09 -1.50 -0.10 0.00 -2.87 0.00 0.00 58.31 53.93 2jg1 n LYS 156 Cb 0.62 -1.23 -0.00 0.00 -1.84 0.00 0.00 35.03 32.58 2jg1 n LYS 156 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jg1 n GLY 157 N 0.57 -0.03 3.46 0.72 0.00 -0.13 -5.02 105.19 104.77 2jg1 n GLY 157 Ca 0.08 -0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 2jg1 n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jg1 s VAL 158 N -2.58 4.89 0.43 1.61 1.01 -0.49 -5.02 120.40 120.25 2jg1 s VAL 158 Ca 0.03 -0.48 -0.25 0.00 0.00 0.00 0.00 61.98 61.28 2jg1 s VAL 158 Cb -0.01 -3.58 -0.08 0.00 0.00 0.00 0.00 36.38 32.71 2jg1 s VAL 158 CO 0.04 -0.07 1.37 -2.16 0.00 0.00 0.00 175.10 174.28 2jg1 s PRO 159 N 1.64 3.80 -0.14 2.72 0.04 -1.26 -4.38 135.00 137.42 2jg1 s PRO 159 Ca 0.05 2.29 -0.01 0.00 0.04 0.00 0.00 61.00 63.37 2jg1 s PRO 159 Cb -0.18 -2.69 -0.01 0.00 0.04 0.00 0.00 34.50 31.66 2jg1 s PRO 159 CO 0.08 -0.68 -0.12 0.08 0.04 0.00 0.00 177.00 176.40 2jg1 s VAL 160 N -1.23 3.03 -0.32 -0.36 1.01 -1.26 -1.85 120.40 119.41 2jg1 s VAL 160 Ca 0.59 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 2jg1 s VAL 160 Cb -0.41 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 2jg1 s VAL 160 CO 0.53 0.51 0.22 -0.63 0.00 0.00 0.00 175.10 175.73 2jg1 s ILE 161 N 0.55 5.19 -0.15 2.22 1.09 0.36 -0.81 121.20 129.65 2jg1 s ILE 161 Ca -0.08 -0.17 0.00 0.00 -1.10 0.00 0.00 60.65 59.30 2jg1 s ILE 161 Cb -0.16 -3.63 -0.00 0.00 -1.06 0.00 0.00 42.46 37.62 2jg1 s ILE 161 CO 0.04 0.05 -0.15 -0.22 -0.10 0.00 0.00 174.94 174.56 2jg1 s LEU 162 N 1.71 2.51 -0.47 2.97 2.96 0.11 -0.66 118.68 127.82 2jg1 s LEU 162 Ca 0.06 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.55 2jg1 s LEU 162 Cb -0.17 -1.57 0.14 0.00 0.50 0.00 0.00 46.19 45.09 2jg1 s LEU 162 CO 0.10 0.09 0.29 -0.62 -1.32 0.00 0.00 176.35 174.89 2jg1 s ASP 163 N 0.77 3.49 0.25 3.68 2.15 0.25 -2.58 116.67 124.70 2jg1 s ASP 163 Ca -0.06 -2.84 0.01 0.00 0.43 0.00 0.00 52.55 50.09 2jg1 s ASP 163 Cb -0.15 -1.02 -0.04 0.00 -0.30 0.00 0.00 42.92 41.40 2jg1 s ASP 163 CO 0.01 -0.23 0.12 0.00 -0.17 0.00 0.00 175.17 174.90 2jg1 s SER 165 N -3.29 1.15 0.73 0.00 1.04 -1.26 -4.73 113.70 107.34 2jg1 s SER 165 Ca 0.38 -1.57 0.00 0.00 0.48 0.00 0.00 55.95 55.24 2jg1 s SER 165 Cb 0.07 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2jg1 s SER 165 CO 0.14 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 174.05 2jg1 n GLY 166 N -0.50 1.37 0.23 7.32 0.00 -1.26 -2.60 105.19 109.76 2jg1 n GLY 166 Ca 0.03 -0.64 0.06 0.00 0.00 0.00 0.00 46.02 45.47 2jg1 n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jg1 h ALA 167 N -0.73 1.76 -0.21 4.61 0.00 -2.00 -1.17 119.26 121.52 2jg1 h ALA 167 Ca 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.82 2jg1 h ALA 167 Cb 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2jg1 h ALA 167 CO 0.00 0.18 -0.01 1.15 0.00 0.00 0.00 179.25 180.57 2jg1 h THR 168 N 0.00 0.84 -0.09 0.00 2.02 -1.94 -0.69 112.91 113.06 2jg1 h THR 168 Ca -0.00 -0.02 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 2jg1 h THR 168 Cb 0.25 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 2jg1 h THR 168 CO 0.02 0.01 -0.16 0.25 0.37 0.00 0.00 175.52 176.00 2jg1 h LEU 169 N 0.05 0.29 -0.80 2.58 5.85 -1.19 -3.16 115.31 118.94 2jg1 h LEU 169 Ca 0.10 -0.56 0.19 0.00 0.84 0.00 0.00 57.88 58.45 2jg1 h LEU 169 Cb 0.13 -0.08 -0.12 0.00 0.37 0.00 0.00 40.66 40.95 2jg1 h LEU 169 CO -0.17 0.80 0.18 -0.61 -0.34 0.00 0.00 178.44 178.30 2jg1 h GLN 170 N -0.19 0.23 -0.56 1.25 5.75 -1.17 -0.74 115.11 119.67 2jg1 h GLN 170 Ca 0.00 -0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.42 2jg1 h GLN 170 Cb 0.74 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.22 2jg1 h GLN 170 CO 0.04 0.15 0.08 1.15 -2.65 0.00 0.00 178.83 177.60 2jg1 h THR 171 N 0.23 1.24 -0.20 2.39 2.02 -1.14 -1.85 112.91 115.62 2jg1 h THR 171 Ca 0.47 -0.95 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 2jg1 h THR 171 Cb 0.86 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 2jg1 h THR 171 CO -0.58 0.35 0.03 0.58 0.37 0.00 0.00 175.52 176.26 2jg1 h VAL 172 N 0.86 1.23 0.00 3.16 2.07 -1.27 -3.08 116.25 119.22 2jg1 h VAL 172 Ca 0.18 -0.76 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 2jg1 h VAL 172 Cb 0.39 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 2jg1 h VAL 172 CO 0.01 0.23 -0.17 -0.07 0.02 0.00 0.00 177.57 177.59 2jg1 h LEU 173 N 0.12 0.00 -0.47 2.57 3.38 -0.88 -1.40 115.31 118.62 2jg1 h LEU 173 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2jg1 h LEU 173 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2jg1 h LEU 173 CO 0.01 0.17 0.00 -0.33 0.09 0.00 0.00 178.44 178.37 2jg1 h GLU 174 N 0.00 0.00 -6.72 1.13 5.08 -1.34 -3.47 114.58 109.26 2jg1 h GLU 174 Ca -0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 2jg1 h GLU 174 Cb 0.32 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.59 2jg1 h GLU 174 CO 0.02 0.00 -0.02 0.54 -1.00 0.00 0.00 179.01 178.55 2jg1 s ASN 175 N -5.55 6.33 0.37 1.42 2.20 -0.53 -5.02 114.94 114.16 2jg1 s ASN 175 Ca 0.06 0.77 0.19 0.00 -0.94 0.00 0.00 52.86 52.94 2jg1 s ASN 175 Cb 0.08 -2.17 0.63 0.00 -2.00 0.00 0.00 41.25 37.79 2jg1 s ASN 175 CO 0.59 -0.41 1.70 1.55 -2.94 0.00 0.00 177.10 177.60 2jg1 h PRO 176 N 0.73 0.00 -5.89 3.55 0.13 -1.90 -3.43 132.00 125.20 2jg1 h PRO 176 Ca -0.48 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.04 2jg1 h PRO 176 Cb 1.20 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 2jg1 h PRO 176 CO 0.63 0.36 0.53 0.71 -0.23 0.00 0.00 178.00 179.99 2jg1 s TYR 177 N -3.50 2.85 0.03 1.56 1.51 -1.26 -5.03 117.35 113.51 2jg1 s TYR 177 Ca 0.01 0.08 -0.09 0.00 -1.01 0.00 0.00 57.07 56.06 2jg1 s TYR 177 Cb 0.10 -3.98 -0.05 0.00 -0.11 0.00 0.00 41.96 37.92 2jg1 s TYR 177 CO 0.68 -1.24 0.33 0.15 -1.11 0.00 0.00 175.55 174.36 2jg1 s LYS 178 N 3.78 3.68 0.67 -0.62 -0.14 -1.26 -4.77 119.74 121.08 2jg1 s LYS 178 Ca 0.31 0.07 -0.14 0.00 -1.36 0.00 0.00 55.97 54.85 2jg1 s LYS 178 Cb -0.12 -3.07 0.00 0.00 -1.68 0.00 0.00 37.83 32.96 2jg1 s LYS 178 CO 0.21 0.63 1.10 -1.25 -0.76 0.00 0.00 175.35 175.28 2jg1 s PRO 179 N -1.69 2.78 0.08 -1.68 0.04 -1.26 -4.85 135.00 128.41 2jg1 s PRO 179 Ca 0.28 1.33 -0.03 0.00 0.04 0.00 0.00 61.00 62.63 2jg1 s PRO 179 Cb -0.14 -1.95 -0.27 0.00 0.04 0.00 0.00 34.50 32.18 2jg1 s PRO 179 CO 0.16 -1.26 1.14 1.15 0.04 0.00 0.00 177.00 178.23 2jg1 h THR 180 N -0.11 1.50 -3.85 1.26 2.02 -1.33 -3.39 112.91 109.00 2jg1 h THR 180 Ca -0.46 -3.10 -0.38 0.00 0.77 0.00 0.00 66.41 63.24 2jg1 h THR 180 Cb 1.24 2.92 -0.30 0.00 -1.74 0.00 0.00 68.15 70.27 2jg1 h THR 180 CO 0.54 0.90 -0.77 -0.69 0.37 0.00 0.00 175.52 175.87 2jg1 s VAL 181 N -2.66 0.61 0.04 3.16 1.01 -0.68 -1.02 120.40 120.86 2jg1 s VAL 181 Ca -0.04 -0.29 0.09 0.00 0.00 0.00 0.00 61.98 61.75 2jg1 s VAL 181 Cb 0.07 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 2jg1 s VAL 181 CO 0.87 0.19 -0.26 0.27 0.00 0.00 0.00 175.10 176.18 2jg1 s ILE 182 N 0.09 2.07 -0.56 2.22 -4.36 -0.84 -0.71 121.20 119.12 2jg1 s ILE 182 Ca -0.01 -1.35 0.06 0.00 -0.26 0.00 0.00 60.65 59.10 2jg1 s ILE 182 Cb -0.06 -1.77 0.24 0.00 1.25 0.00 0.00 42.46 42.12 2jg1 s ILE 182 CO -0.00 0.36 0.64 1.17 0.24 0.00 0.00 174.94 177.35 2jg1 n LYS 183 N 1.84 1.80 -2.52 0.37 4.81 -1.06 -1.28 118.16 122.11 2jg1 n LYS 183 Ca -0.17 -4.14 -0.35 0.00 -0.87 0.00 0.00 58.31 52.78 2jg1 n LYS 183 Cb 0.52 -1.91 -0.03 0.00 0.02 0.00 0.00 35.03 33.63 2jg1 n LYS 183 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2jg1 s PRO 184 N -1.88 3.87 0.77 1.64 0.04 -1.21 -4.84 135.00 133.39 2jg1 s PRO 184 Ca 0.37 1.43 -0.10 0.00 0.04 0.00 0.00 61.00 62.74 2jg1 s PRO 184 Cb 0.13 -2.22 0.08 0.00 0.04 0.00 0.00 34.50 32.53 2jg1 s PRO 184 CO -0.06 -0.38 1.11 0.54 0.04 0.00 0.00 177.00 178.25 2jg1 s ASN 185 N -1.84 4.58 0.22 6.66 2.20 -1.26 -1.54 114.94 123.97 2jg1 s ASN 185 Ca 0.65 0.61 -0.09 0.00 -0.94 0.00 0.00 52.86 53.09 2jg1 s ASN 185 Cb -0.19 -1.15 0.20 0.00 -2.00 0.00 0.00 41.25 38.12 2jg1 s ASN 185 CO 0.23 -1.81 1.88 -0.29 -2.94 0.00 0.00 177.10 174.17 2jg1 h ILE 186 N -0.88 1.17 -0.20 0.54 2.10 -1.68 -1.38 117.51 117.17 2jg1 h ILE 186 Ca -0.45 -0.36 0.04 0.00 1.08 0.00 0.00 64.86 65.17 2jg1 h ILE 186 Cb 1.32 0.02 -0.04 0.00 -1.09 0.00 0.00 36.82 37.03 2jg1 h ILE 186 CO 0.62 0.19 -0.08 0.28 -1.08 0.00 0.00 178.15 178.09 2jg1 h SER 187 N 1.06 -0.26 -0.96 2.19 0.02 -1.94 -2.51 113.55 111.15 2jg1 h SER 187 Ca 0.31 0.07 0.05 0.00 -0.84 0.00 0.00 61.79 61.38 2jg1 h SER 187 Cb -0.07 0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.57 2jg1 h SER 187 CO -0.08 -0.10 0.62 -0.33 -1.14 0.00 0.00 176.83 175.80 2jg1 h GLU 188 N -0.04 1.12 -0.07 3.45 5.08 -1.79 -2.49 114.58 119.84 2jg1 h GLU 188 Ca 0.11 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2jg1 h GLU 188 Cb 0.20 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 2jg1 h GLU 188 CO -0.23 0.74 0.03 1.25 -1.00 0.00 0.00 179.01 179.80 2jg1 h LEU 189 N 1.15 0.09 0.13 1.33 5.85 -0.83 -2.95 115.31 120.08 2jg1 h LEU 189 Ca 0.40 -0.12 -0.31 0.00 0.84 0.00 0.00 57.88 58.70 2jg1 h LEU 189 Cb 0.11 -0.02 0.03 0.00 0.37 0.00 0.00 40.66 41.15 2jg1 h LEU 189 CO -0.14 0.18 -1.28 1.88 -0.34 0.00 0.00 178.44 178.74 2jg1 h TYR 190 N -0.01 1.02 -0.61 1.25 -1.99 -1.41 -3.04 116.97 112.19 2jg1 h TYR 190 Ca 0.02 -0.65 0.09 0.00 2.00 0.00 0.00 58.73 60.19 2jg1 h TYR 190 Cb 0.12 -0.08 -0.11 0.00 2.00 0.00 0.00 36.73 38.66 2jg1 h TYR 190 CO -0.03 1.49 -0.42 1.96 -0.00 0.00 0.00 178.16 181.16 2jg1 h GLN 191 N 0.27 -0.20 -0.73 4.88 4.20 -1.53 -0.35 115.11 121.65 2jg1 h GLN 191 Ca -0.20 0.01 0.18 0.00 0.06 0.00 0.00 58.65 58.71 2jg1 h GLN 191 Cb 1.95 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 29.73 2jg1 h GLN 191 CO 0.24 -0.13 0.51 1.25 -0.67 0.00 0.00 178.83 180.03 2jg1 h LEU 192 N -0.20 0.17 -0.69 1.46 5.85 -1.50 0.13 115.31 120.52 2jg1 h LEU 192 Ca 0.19 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2jg1 h LEU 192 Cb 0.56 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.57 2jg1 h LEU 192 CO -0.70 0.08 -0.24 0.18 -0.34 0.00 0.00 178.44 177.42 2jg1 n LEU 193 N -4.40 1.31 -3.55 2.25 4.32 -0.32 -4.97 117.00 111.63 2jg1 n LEU 193 Ca 0.14 -0.40 -0.23 0.00 -0.02 0.00 0.00 56.01 55.51 2jg1 n LEU 193 Cb 0.68 -0.08 0.05 0.00 -1.62 0.00 0.00 43.42 42.45 2jg1 n LEU 193 CO 0.35 0.24 -0.04 -3.20 -1.22 0.00 0.00 177.39 173.52 2jg1 n ASN 194 N -0.35 -4.34 -3.98 -1.43 5.15 0.44 -5.03 115.26 105.71 2jg1 n ASN 194 Ca 0.13 -0.86 -0.09 0.00 -0.60 0.00 0.00 54.58 53.17 2jg1 n ASN 194 Cb 0.37 -4.18 -0.10 0.00 -0.53 0.00 0.00 39.78 35.35 2jg1 n ASN 194 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2jg1 s GLN 195 N -5.49 0.51 0.38 1.20 -0.21 -0.90 -5.04 119.66 110.10 2jg1 s GLN 195 Ca 0.31 -0.82 -0.26 0.00 0.02 0.00 0.00 55.36 54.61 2jg1 s GLN 195 Cb -0.08 0.19 -0.09 0.00 1.00 0.00 0.00 33.01 34.03 2jg1 s GLN 195 CO 0.81 -0.11 1.16 -1.25 -2.12 0.00 0.00 175.29 173.78 2jg1 s PRO 196 N -2.57 4.14 0.25 2.91 0.04 -1.26 -4.32 135.00 134.18 2jg1 s PRO 196 Ca -0.05 1.83 -0.31 0.00 0.04 0.00 0.00 61.00 62.51 2jg1 s PRO 196 Cb -0.02 -2.74 -0.13 0.00 0.04 0.00 0.00 34.50 31.66 2jg1 s PRO 196 CO -0.05 -0.24 1.49 -0.11 0.04 0.00 0.00 177.00 178.13 2jg1 n LEU 197 N 0.21 3.48 -3.69 -3.56 0.00 -1.26 -5.01 117.00 107.18 2jg1 n LEU 197 Ca 0.04 1.13 -0.15 0.00 0.00 0.00 0.00 56.01 57.03 2jg1 n LEU 197 Cb 0.46 -1.48 -0.14 0.00 0.00 0.00 0.00 43.42 42.26 2jg1 n LEU 197 CO 0.51 -0.27 -0.19 -0.62 0.00 0.00 0.00 177.39 176.82 2jg1 s ASP 198 N 0.44 0.37 0.00 1.96 2.15 -1.26 -5.04 116.67 115.30 2jg1 s ASP 198 Ca 0.68 0.43 0.24 0.00 0.43 0.00 0.00 52.55 54.33 2jg1 s ASP 198 Cb -0.60 0.41 0.69 0.00 -0.30 0.00 0.00 42.92 43.11 2jg1 s ASP 198 CO 0.47 -0.22 1.53 -0.62 -0.17 0.00 0.00 175.17 176.17 2jg1 n GLU 199 N 5.02 1.94 -2.62 4.34 1.02 -1.26 -4.50 120.64 124.59 2jg1 n GLU 199 Ca -0.11 -1.39 -0.41 0.00 -0.02 0.00 0.00 57.16 55.22 2jg1 n GLU 199 Cb 0.50 -1.45 -0.04 0.00 -0.02 0.00 0.00 31.44 30.44 2jg1 n GLU 199 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2jg1 s SER 200 N -1.74 7.35 0.00 1.62 1.04 -1.26 -4.91 113.70 115.80 2jg1 s SER 200 Ca 0.34 1.90 0.00 0.00 0.48 0.00 0.00 55.95 58.67 2jg1 s SER 200 Cb 0.20 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.73 2jg1 s SER 200 CO 0.30 -0.20 0.35 0.18 0.98 0.00 0.00 173.24 174.85 2jg1 n LEU 201 N 3.00 0.22 -0.05 2.42 4.77 -1.26 -1.28 117.00 124.81 2jg1 n LEU 201 Ca 0.04 -0.11 -0.06 0.00 -0.03 0.00 0.00 56.01 55.85 2jg1 n LEU 201 Cb 0.48 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 2jg1 n LEU 201 CO 0.53 0.05 -0.84 -0.62 -1.33 0.00 0.00 177.39 175.18 2jg1 n GLU 202 N -0.14 1.47 0.07 3.23 4.71 -1.26 -4.19 120.64 124.53 2jg1 n GLU 202 Ca 0.00 0.03 -0.09 0.00 -0.01 0.00 0.00 57.16 57.09 2jg1 n GLU 202 Cb 0.05 -1.24 -0.06 0.00 -1.01 0.00 0.00 31.44 29.19 2jg1 n GLU 202 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 2jg1 h SER 203 N 0.00 -0.22 -0.87 1.62 0.87 -1.54 -2.93 113.55 110.48 2jg1 h SER 203 Ca -0.26 -0.26 0.21 0.00 -1.23 0.00 0.00 61.79 60.26 2jg1 h SER 203 Cb 1.49 0.06 -0.13 0.00 -0.44 0.00 0.00 62.40 63.38 2jg1 h SER 203 CO -0.01 0.32 0.33 -0.07 -0.53 0.00 0.00 176.83 176.86 2jg1 h LEU 204 N -0.95 0.22 -0.46 2.23 3.38 -1.62 0.56 115.31 118.67 2jg1 h LEU 204 Ca -0.03 0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.11 2jg1 h LEU 204 Cb 0.47 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2jg1 h LEU 204 CO 0.04 -0.04 0.30 0.11 0.09 0.00 0.00 178.44 178.94 2jg1 h LYS 205 N 0.34 0.59 -0.35 1.13 1.57 -1.73 -1.56 116.57 116.55 2jg1 h LYS 205 Ca 0.54 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 59.16 2jg1 h LYS 205 Cb 1.02 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 2jg1 h LYS 205 CO -0.55 0.39 -0.24 1.96 -0.57 0.00 0.00 179.45 180.44 2jg1 h GLN 206 N 0.61 0.79 0.23 3.15 4.20 -0.76 -2.63 115.11 120.70 2jg1 h GLN 206 Ca 0.17 -0.38 0.01 0.00 0.06 0.00 0.00 58.65 58.51 2jg1 h GLN 206 Cb -0.05 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 2jg1 h GLN 206 CO -0.05 1.00 -0.27 0.00 -0.67 0.00 0.00 178.83 178.84 2jg1 h ALA 207 N 0.77 -0.54 0.00 3.87 0.00 0.15 -2.68 119.26 120.83 2jg1 h ALA 207 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jg1 h ALA 207 Cb 0.81 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2jg1 h ALA 207 CO 0.07 -0.84 0.00 1.33 0.00 0.00 0.00 179.25 179.80 2jg1 n VAL 208 N -5.39 0.70 1.26 0.00 0.24 -0.60 -2.47 118.33 112.08 2jg1 n VAL 208 Ca -0.08 0.01 0.13 0.00 -2.04 0.00 0.00 64.34 62.36 2jg1 n VAL 208 Cb 0.30 -0.89 0.36 0.00 -1.47 0.00 0.00 33.84 32.14 2jg1 n VAL 208 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2jg1 n SER 209 N -2.18 1.33 -4.69 -1.34 7.64 -0.99 -4.76 113.62 108.63 2jg1 n SER 209 Ca 0.04 -1.15 -0.38 0.00 1.01 0.00 0.00 58.87 58.39 2jg1 n SER 209 Cb 0.31 0.14 0.05 0.00 -1.01 0.00 0.00 64.21 63.70 2jg1 n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jg1 n GLN 210 N -0.30 1.19 0.33 1.43 6.02 -1.03 -4.89 117.38 120.13 2jg1 n GLN 210 Ca 0.13 0.45 0.21 0.00 -0.01 0.00 0.00 57.00 57.79 2jg1 n GLN 210 Cb 0.37 -2.39 1.15 0.00 1.02 0.00 0.00 30.24 30.39 2jg1 n GLN 210 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2jg1 h PRO 211 N 0.79 0.00 -0.29 -1.09 0.13 -1.92 -1.49 132.00 128.13 2jg1 h PRO 211 Ca -0.50 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.72 2jg1 h PRO 211 Cb 1.34 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 2jg1 h PRO 211 CO 0.53 0.00 0.21 1.25 -0.23 0.00 0.00 178.00 179.77 2jg1 h LEU 212 N 0.00 0.00 -2.88 1.56 5.85 -1.94 -2.72 115.31 115.19 2jg1 h LEU 212 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jg1 h LEU 212 Cb 0.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2jg1 h LEU 212 CO 0.00 0.00 0.00 0.49 -0.34 0.00 0.00 178.44 178.59 2jg1 n PHE 213 N -4.41 1.10 -1.94 1.25 3.01 -0.56 -4.74 117.46 111.18 2jg1 n PHE 213 Ca 0.04 -0.54 -0.39 0.00 1.01 0.00 0.00 57.45 57.57 2jg1 n PHE 213 Cb 0.37 -0.08 0.01 0.00 -0.01 0.00 0.00 39.48 39.78 2jg1 n PHE 213 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 2jg1 s GLU 214 N -1.27 3.66 0.00 -1.08 2.12 -1.03 -3.31 118.70 117.79 2jg1 s GLU 214 Ca 0.48 2.21 0.00 0.00 0.36 0.00 0.00 54.97 58.02 2jg1 s GLU 214 Cb 0.27 -2.57 0.00 0.00 0.26 0.00 0.00 34.13 32.10 2jg1 s GLU 214 CO 0.30 -0.76 0.00 0.41 -0.54 0.00 0.00 175.26 174.66 2jg1 n GLY 215 N 0.63 0.84 3.50 -1.50 0.00 -1.26 -5.02 105.19 102.38 2jg1 n GLY 215 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 2jg1 n GLY 215 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jg1 s ILE 216 N -3.29 5.07 0.11 -0.61 1.01 -1.21 -4.85 121.20 117.43 2jg1 s ILE 216 Ca 0.00 -0.26 -0.23 0.00 0.00 0.00 0.00 60.65 60.16 2jg1 s ILE 216 Cb 0.00 -3.59 -0.08 0.00 0.01 0.00 0.00 42.46 38.80 2jg1 s ILE 216 CO 0.00 0.03 1.69 -0.08 0.00 0.00 0.00 174.94 176.58 2jg1 h GLU 217 N 8.44 -0.15 -5.27 2.79 4.81 -1.74 -3.42 114.58 120.04 2jg1 h GLU 217 Ca -0.32 0.01 -0.67 0.00 -0.13 0.00 0.00 59.36 58.25 2jg1 h GLU 217 Cb 1.16 0.03 -0.32 0.00 0.63 0.00 0.00 28.75 30.25 2jg1 h GLU 217 CO 0.62 -0.10 -0.85 -1.58 -0.73 0.00 0.00 179.01 176.38 2jg1 s TRP 218 N -6.16 2.67 -0.26 0.92 0.52 -0.19 -1.21 118.94 115.22 2jg1 s TRP 218 Ca -0.14 -1.08 0.03 0.00 0.02 0.00 0.00 56.10 54.93 2jg1 s TRP 218 Cb 0.08 -1.79 0.06 0.00 -1.15 0.00 0.00 33.47 30.67 2jg1 s TRP 218 CO 0.67 -0.46 -0.10 0.42 0.02 0.00 0.00 176.95 177.50 2jg1 s ILE 219 N 0.57 2.20 -0.37 2.03 1.01 0.32 -1.98 121.20 124.97 2jg1 s ILE 219 Ca -0.12 -1.66 -0.03 0.00 0.00 0.00 0.00 60.65 58.85 2jg1 s ILE 219 Cb -0.16 -2.31 0.08 0.00 0.01 0.00 0.00 42.46 40.08 2jg1 s ILE 219 CO 0.04 -0.05 0.13 -0.63 0.00 0.00 0.00 174.94 174.43 2jg1 s ILE 220 N 1.10 3.24 -0.47 2.92 1.01 -0.41 -0.60 121.20 127.99 2jg1 s ILE 220 Ca -0.08 -1.77 -0.19 0.00 0.00 0.00 0.00 60.65 58.62 2jg1 s ILE 220 Cb -0.20 -3.08 0.05 0.00 0.01 0.00 0.00 42.46 39.24 2jg1 s ILE 220 CO -0.05 -0.47 0.56 -0.69 0.00 0.00 0.00 174.94 174.29 2jg1 s VAL 221 N 1.20 4.95 0.29 2.92 1.01 0.76 -3.29 120.40 128.24 2jg1 s VAL 221 Ca 0.03 -0.43 -0.21 0.00 0.00 0.00 0.00 61.98 61.37 2jg1 s VAL 221 Cb -0.21 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 31.87 2jg1 s VAL 221 CO -0.03 -0.66 0.82 -0.94 0.00 0.00 0.00 175.10 174.29 2jg1 s SER 222 N 2.37 7.10 -0.11 3.32 1.04 -0.59 -0.76 113.70 126.08 2jg1 s SER 222 Ca 0.14 1.56 0.16 0.00 0.48 0.00 0.00 55.95 58.29 2jg1 s SER 222 Cb -0.18 -2.48 0.37 0.00 0.10 0.00 0.00 66.02 63.83 2jg1 s SER 222 CO 0.13 -0.07 1.17 0.18 0.98 0.00 0.00 173.24 175.63 2jg1 n LEU 223 N 0.38 1.86 0.00 2.42 4.77 -0.00 -1.79 117.00 124.63 2jg1 n LEU 223 Ca 0.01 -2.91 0.00 0.00 -0.03 0.00 0.00 56.01 53.08 2jg1 n LEU 223 Cb 0.51 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2jg1 n LEU 223 CO 0.43 0.92 0.00 0.61 -1.33 0.00 0.00 177.39 178.01 2jg1 n GLY 224 N -0.54 3.88 0.32 -0.72 0.00 -1.26 -1.83 105.19 105.05 2jg1 n GLY 224 Ca 0.13 0.10 0.05 0.00 0.00 0.00 0.00 46.02 46.30 2jg1 n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jg1 h ALA 225 N -0.85 1.73 0.00 4.61 0.00 -2.00 -2.93 119.26 119.82 2jg1 h ALA 225 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jg1 h ALA 225 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2jg1 h ALA 225 CO 0.00 0.24 0.00 1.04 0.00 0.00 0.00 179.25 180.53 2jg1 n GLN 226 N -4.47 0.01 0.00 0.00 6.02 -0.76 -4.77 117.38 113.42 2jg1 n GLN 226 Ca 0.04 0.22 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 2jg1 n GLN 226 Cb 0.09 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.83 2jg1 n GLN 226 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jg1 n GLY 227 N 0.23 0.82 3.38 1.08 0.00 -1.11 -4.50 105.19 105.10 2jg1 n GLY 227 Ca 0.04 -1.15 -0.15 0.00 0.00 0.00 0.00 46.02 44.76 2jg1 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jg1 s ALA 228 N -2.00 -1.28 -0.09 4.61 0.00 -0.86 -0.82 121.76 121.32 2jg1 s ALA 228 Ca 0.00 0.76 0.04 0.00 0.00 0.00 0.00 51.96 52.76 2jg1 s ALA 228 Cb 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 2jg1 s ALA 228 CO 0.00 -0.36 -0.23 0.12 0.00 0.00 0.00 175.76 175.29 2jg1 s PHE 229 N -1.56 2.55 0.04 0.00 5.36 0.06 -0.83 117.98 123.60 2jg1 s PHE 229 Ca -0.10 -0.86 0.03 0.00 -0.96 0.00 0.00 56.93 55.04 2jg1 s PHE 229 Cb -0.02 -1.68 -0.02 0.00 -0.34 0.00 0.00 43.02 40.96 2jg1 s PHE 229 CO 0.05 -0.30 -0.10 0.00 -1.46 0.00 0.00 175.22 173.41 2jg1 s ALA 230 N 0.12 0.79 -0.15 11.12 0.00 -0.54 -0.17 121.76 132.93 2jg1 s ALA 230 Ca -0.11 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.10 2jg1 s ALA 230 Cb -0.16 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.92 2jg1 s ALA 230 CO 0.06 0.08 -0.20 0.21 0.00 0.00 0.00 175.76 175.91 2jg1 s LYS 231 N -1.36 3.07 -0.20 0.00 2.20 0.23 -0.13 119.74 123.56 2jg1 s LYS 231 Ca -0.05 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 54.74 2jg1 s LYS 231 Cb -0.09 -2.49 0.02 0.00 -1.51 0.00 0.00 37.83 33.76 2jg1 s LYS 231 CO 0.01 -0.01 -0.16 -1.58 -0.36 0.00 0.00 175.35 173.25 2jg1 s HIS 232 N 0.83 2.85 0.00 4.03 5.65 0.25 -0.53 115.29 128.38 2jg1 s HIS 232 Ca -0.06 -1.54 0.00 0.00 0.25 0.00 0.00 55.06 53.71 2jg1 s HIS 232 Cb -0.15 -1.96 0.00 0.00 -1.18 0.00 0.00 32.58 29.28 2jg1 s HIS 232 CO -0.02 -0.76 0.00 0.09 -0.65 0.00 0.00 174.74 173.40 2jg1 n ASN 233 N 4.65 0.00 -0.01 9.88 3.02 -0.35 -0.88 115.26 131.57 2jg1 n ASN 233 Ca -0.20 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.45 2jg1 n ASN 233 Cb 0.50 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.58 2jg1 n ASN 233 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2jg1 n HIS 234 N 0.46 0.00 -3.77 3.10 8.25 -1.26 -4.97 115.22 117.03 2jg1 n HIS 234 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 2jg1 n HIS 234 Cb 0.00 -0.02 -0.06 0.00 1.12 0.00 0.00 29.99 31.03 2jg1 n HIS 234 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2jg1 s THR 235 N -2.99 5.35 0.03 1.59 -1.32 -0.06 -5.10 115.64 113.16 2jg1 s THR 235 Ca 0.09 0.35 0.02 0.00 -1.21 0.00 0.00 61.69 60.93 2jg1 s THR 235 Cb 0.16 -3.51 -0.04 0.00 -1.51 0.00 0.00 72.50 67.60 2jg1 s THR 235 CO 0.85 0.56 0.06 -0.36 -2.21 0.00 0.00 174.62 173.52 2jg1 s PHE 236 N -1.09 3.19 0.03 9.09 0.08 -1.26 -0.58 117.98 127.44 2jg1 s PHE 236 Ca 0.20 0.12 0.04 0.00 0.12 0.00 0.00 56.93 57.40 2jg1 s PHE 236 Cb -0.13 -1.67 -0.02 0.00 -0.57 0.00 0.00 43.02 40.63 2jg1 s PHE 236 CO 0.09 0.52 -0.12 0.71 -0.10 0.00 0.00 175.22 176.31 2jg1 s TYR 237 N -1.26 1.07 -0.13 0.36 2.02 0.81 -2.19 117.35 118.04 2jg1 s TYR 237 Ca 0.25 -0.33 -0.01 0.00 -0.37 0.00 0.00 57.07 56.61 2jg1 s TYR 237 Cb -0.12 -0.64 -0.02 0.00 -0.40 0.00 0.00 41.96 40.78 2jg1 s TYR 237 CO 0.17 0.01 -0.11 0.50 -1.57 0.00 0.00 175.55 174.55 2jg1 s ARG 238 N -1.01 3.40 -0.34 -0.62 6.06 0.38 -1.46 118.95 125.36 2jg1 s ARG 238 Ca 0.00 -0.64 -0.04 0.00 -2.50 0.00 0.00 55.73 52.55 2jg1 s ARG 238 Cb -0.07 -2.68 0.06 0.00 0.06 0.00 0.00 34.95 32.31 2jg1 s ARG 238 CO 0.01 0.25 0.09 0.08 -2.50 0.00 0.00 175.30 173.23 2jg1 s VAL 239 N 0.27 3.40 -0.14 7.11 1.01 -0.01 -1.19 120.40 130.85 2jg1 s VAL 239 Ca -0.08 -1.39 -0.11 0.00 0.00 0.00 0.00 61.98 60.40 2jg1 s VAL 239 Cb -0.15 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 2jg1 s VAL 239 CO 0.05 -0.25 0.22 0.20 0.00 0.00 0.00 175.10 175.32 2jg1 s ASN 240 N 1.45 6.41 0.13 3.32 0.01 0.87 -2.04 114.94 125.09 2jg1 s ASN 240 Ca -0.01 0.48 0.07 0.00 -0.71 0.00 0.00 52.86 52.68 2jg1 s ASN 240 Cb -0.20 -2.13 -0.04 0.00 0.41 0.00 0.00 41.25 39.29 2jg1 s ASN 240 CO 0.00 0.23 -0.17 0.27 -1.51 0.00 0.00 177.10 175.93 2jg1 s ILE 241 N -0.16 1.58 0.64 0.60 -4.36 -1.26 -0.90 121.20 117.33 2jg1 s ILE 241 Ca 0.15 -1.73 -0.12 0.00 -0.26 0.00 0.00 60.65 58.69 2jg1 s ILE 241 Cb -0.13 -1.62 -0.02 0.00 1.25 0.00 0.00 42.46 41.94 2jg1 s ILE 241 CO 0.03 -0.30 1.04 -2.16 0.24 0.00 0.00 174.94 173.80 2jg1 s PRO 242 N -2.51 3.33 0.22 0.37 0.04 -1.26 -4.92 135.00 130.27 2jg1 s PRO 242 Ca 0.10 0.88 -0.30 0.00 0.04 0.00 0.00 61.00 61.72 2jg1 s PRO 242 Cb -0.07 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 2jg1 s PRO 242 CO 0.05 -0.79 0.98 0.99 0.04 0.00 0.00 177.00 178.27 2jg1 s THR 243 N -3.04 4.01 0.22 1.26 2.01 -1.26 -5.06 115.64 113.78 2jg1 s THR 243 Ca 0.57 1.94 0.00 0.00 0.31 0.00 0.00 61.69 64.52 2jg1 s THR 243 Cb -0.12 -4.24 -0.05 0.00 0.01 0.00 0.00 72.50 68.10 2jg1 s THR 243 CO 0.52 0.43 0.11 0.27 -0.69 0.00 0.00 174.62 175.26 2jg1 s ILE 244 N -0.94 0.28 -0.24 1.82 -4.36 -1.26 -5.12 121.20 111.38 2jg1 s ILE 244 Ca 0.43 -1.99 -0.29 0.00 -0.26 0.00 0.00 60.65 58.54 2jg1 s ILE 244 Cb -0.27 -2.52 -0.02 0.00 1.25 0.00 0.00 42.46 40.90 2jg1 s ILE 244 CO 0.34 -0.05 1.55 -0.44 0.24 0.00 0.00 174.94 176.58 2jg1 s SER 245 N -3.22 6.44 -0.23 4.36 0.01 -1.26 -5.00 113.70 114.80 2jg1 s SER 245 Ca 0.37 1.53 -0.05 0.00 1.31 0.00 0.00 55.95 59.11 2jg1 s SER 245 Cb 0.07 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.75 2jg1 s SER 245 CO 0.12 -1.22 -0.01 -0.69 0.41 0.00 0.00 173.24 171.85 2jg1 s VAL 246 N 5.04 3.68 -0.28 3.43 1.01 -1.26 -4.30 120.40 127.71 2jg1 s VAL 246 Ca 0.68 -0.39 -0.00 0.00 0.00 0.00 0.00 61.98 62.27 2jg1 s VAL 246 Cb -0.23 -2.69 0.09 0.00 0.00 0.00 0.00 36.38 33.55 2jg1 s VAL 246 CO 0.28 0.40 0.06 -1.48 0.00 0.00 0.00 175.10 174.36 2jg1 s LEU 247 N 1.47 2.38 -0.15 3.92 2.34 0.47 -4.98 118.68 124.14 2jg1 s LEU 247 Ca 0.06 -1.49 -0.09 0.00 0.06 0.00 0.00 54.13 52.67 2jg1 s LEU 247 Cb -0.14 -0.95 0.03 0.00 -0.56 0.00 0.00 46.19 44.57 2jg1 s LEU 247 CO -0.01 -0.37 0.18 -3.20 -1.06 0.00 0.00 176.35 171.89 2jg1 n ASN 248 N 4.79 -1.24 -0.40 1.48 2.85 -1.25 -2.57 115.26 118.91 2jg1 n ASN 248 Ca -0.04 1.04 0.09 0.00 -0.11 0.00 0.00 54.58 55.56 2jg1 n ASN 248 Cb 0.43 -4.30 0.37 0.00 1.24 0.00 0.00 39.78 37.52 2jg1 n ASN 248 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2jg1 n PRO 249 N 1.24 1.53 -1.96 1.20 -0.05 -1.26 -4.10 135.00 131.59 2jg1 n PRO 249 Ca -0.30 -0.79 -0.42 0.00 -0.05 0.00 0.00 63.50 61.93 2jg1 n PRO 249 Cb 0.46 -1.33 -0.03 0.00 -0.05 0.00 0.00 33.50 32.55 2jg1 n PRO 249 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 2jg1 s VAL 250 N -1.82 3.06 0.00 0.52 1.01 -1.26 -2.13 120.40 119.78 2jg1 s VAL 250 Ca 0.28 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.81 2jg1 s VAL 250 Cb 0.15 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 33.17 2jg1 s VAL 250 CO 0.22 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.94 2jg1 n GLY 251 N 3.92 0.74 0.15 4.51 0.00 -1.26 -4.23 105.19 109.02 2jg1 n GLY 251 Ca 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 2jg1 n GLY 251 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jg1 h SER 252 N 0.00 0.27 -0.41 1.61 0.02 -1.70 -0.96 113.55 112.38 2jg1 h SER 252 Ca 0.00 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 60.74 2jg1 h SER 252 Cb 0.00 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 2jg1 h SER 252 CO 0.00 0.90 0.12 1.23 -1.14 0.00 0.00 176.83 177.93 2jg1 h GLY 253 N 1.63 0.69 1.07 -3.77 0.00 -1.91 -0.38 103.07 100.41 2jg1 h GLY 253 Ca -0.02 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 2jg1 h GLY 253 CO 0.11 0.39 0.47 -0.55 0.00 0.00 0.00 176.54 176.96 2jg1 h ASP 254 N 0.51 1.09 -0.28 0.19 3.32 -1.89 0.37 116.42 119.72 2jg1 h ASP 254 Ca 0.13 -0.10 -0.12 0.00 0.02 0.00 0.00 57.03 56.96 2jg1 h ASP 254 Cb 0.28 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2jg1 h ASP 254 CO -0.00 0.88 -0.24 0.28 -1.72 0.00 0.00 179.24 178.43 2jg1 h SER 255 N 1.22 0.79 -0.51 6.45 0.02 -1.10 -1.43 113.55 118.98 2jg1 h SER 255 Ca 0.30 -0.29 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 2jg1 h SER 255 Cb 0.04 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 2jg1 h SER 255 CO -0.05 1.00 0.22 0.74 -1.14 0.00 0.00 176.83 177.60 2jg1 h THR 256 N 0.67 1.21 -0.68 -2.27 2.02 -0.54 -1.15 112.91 112.16 2jg1 h THR 256 Ca 0.09 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.65 2jg1 h THR 256 Cb 0.76 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 2jg1 h THR 256 CO 0.06 0.24 0.44 0.58 0.37 0.00 0.00 175.52 177.21 2jg1 h VAL 257 N 0.69 1.18 -0.43 3.16 2.07 -0.77 0.15 116.25 122.30 2jg1 h VAL 257 Ca 0.17 -0.35 0.06 0.00 0.82 0.00 0.00 66.70 67.40 2jg1 h VAL 257 Cb 0.17 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.09 2jg1 h VAL 257 CO -0.02 0.18 0.13 0.00 0.02 0.00 0.00 177.57 177.88 2jg1 h ALA 258 N 1.24 0.50 -0.14 1.67 0.00 -1.00 -0.39 119.26 121.14 2jg1 h ALA 258 Ca 0.25 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.25 2jg1 h ALA 258 Cb -0.08 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2jg1 h ALA 258 CO -0.05 -0.27 -0.03 0.78 0.00 0.00 0.00 179.25 179.68 2jg1 h GLY 259 N 0.28 0.11 0.86 0.00 0.00 -0.52 -1.06 103.07 102.73 2jg1 h GLY 259 Ca 0.20 0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.60 2jg1 h GLY 259 CO -0.23 -0.05 0.18 -2.22 0.00 0.00 0.00 176.54 174.22 2jg1 h ILE 260 N 0.01 1.00 -0.65 2.60 2.04 -0.48 -1.76 117.51 120.27 2jg1 h ILE 260 Ca 0.07 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.74 2jg1 h ILE 260 Cb 0.10 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 2jg1 h ILE 260 CO -0.14 0.07 0.17 0.74 0.00 0.00 0.00 178.15 178.99 2jg1 h THR 261 N 0.37 1.26 -0.41 -0.27 2.02 -0.91 -0.25 112.91 114.71 2jg1 h THR 261 Ca 0.14 -0.92 0.06 0.00 0.77 0.00 0.00 66.41 66.46 2jg1 h THR 261 Cb 0.04 0.61 -0.05 0.00 -1.74 0.00 0.00 68.15 67.01 2jg1 h THR 261 CO -0.09 0.35 0.11 -1.28 0.37 0.00 0.00 175.52 174.98 2jg1 h SER 262 N 0.96 0.08 -0.46 4.18 0.87 -1.05 0.21 113.55 118.34 2jg1 h SER 262 Ca 0.21 0.06 -0.11 0.00 -1.23 0.00 0.00 61.79 60.71 2jg1 h SER 262 Cb 0.35 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 2jg1 h SER 262 CO 0.00 0.08 -0.13 0.00 -0.53 0.00 0.00 176.83 176.26 2jg1 h ALA 263 N 1.29 0.83 -0.41 6.23 0.00 -0.84 -2.28 119.26 124.08 2jg1 h ALA 263 Ca 0.19 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2jg1 h ALA 263 Cb 0.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2jg1 h ALA 263 CO -0.22 0.65 0.02 0.82 0.00 0.00 0.00 179.25 180.52 2jg1 h ILE 264 N 0.84 1.25 -0.75 0.00 1.08 -0.83 -0.25 117.51 118.85 2jg1 h ILE 264 Ca 0.13 -0.97 0.11 0.00 -0.39 0.00 0.00 64.86 63.74 2jg1 h ILE 264 Cb 0.67 1.08 -0.08 0.00 -3.07 0.00 0.00 36.82 35.42 2jg1 h ILE 264 CO 0.05 0.33 0.37 0.25 -0.69 0.00 0.00 178.15 178.46 2jg1 h LEU 265 N 0.55 0.47 -0.91 1.44 5.85 -0.80 -2.52 115.31 119.38 2jg1 h LEU 265 Ca 0.12 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2jg1 h LEU 265 Cb 0.44 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.47 2jg1 h LEU 265 CO 0.02 0.25 -0.02 0.59 -0.34 0.00 0.00 178.44 178.94 2jg1 n ASN 266 N -4.87 1.43 -3.75 1.25 3.02 -0.87 -4.96 115.26 106.51 2jg1 n ASN 266 Ca 0.13 -1.44 -0.25 0.00 -0.03 0.00 0.00 54.58 52.98 2jg1 n ASN 266 Cb 0.32 0.01 0.04 0.00 -0.61 0.00 0.00 39.78 39.54 2jg1 n ASN 266 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2jg1 n HIS 267 N 0.09 -2.27 -1.91 3.10 8.25 -0.50 -4.97 115.22 117.02 2jg1 n HIS 267 Ca 0.19 0.91 -0.34 0.00 -0.26 0.00 0.00 57.72 58.22 2jg1 n HIS 267 Cb 0.35 -4.40 0.03 0.00 1.12 0.00 0.00 29.99 27.09 2jg1 n HIS 267 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2jg1 s GLU 268 N -6.25 2.97 0.91 -0.41 2.02 -0.23 -5.03 118.70 112.68 2jg1 s GLU 268 Ca 0.38 1.45 -0.12 0.00 0.02 0.00 0.00 54.97 56.70 2jg1 s GLU 268 Cb -0.18 -1.97 0.13 0.00 0.10 0.00 0.00 34.13 32.21 2jg1 s GLU 268 CO 0.80 -1.13 1.09 0.54 0.02 0.00 0.00 175.26 176.59 2jg1 s ASN 269 N -2.36 3.40 0.25 -0.19 2.20 -1.26 -4.75 114.94 112.23 2jg1 s ASN 269 Ca 0.69 1.42 -0.04 0.00 -0.94 0.00 0.00 52.86 53.98 2jg1 s ASN 269 Cb -0.21 -2.10 0.46 0.00 -2.00 0.00 0.00 41.25 37.40 2jg1 s ASN 269 CO 0.37 -2.67 1.73 0.44 -2.94 0.00 0.00 177.10 174.03 2jg1 h ASP 270 N -1.57 0.29 -0.10 3.54 5.19 -1.99 -0.32 116.42 121.46 2jg1 h ASP 270 Ca -0.50 0.11 -0.02 0.00 -0.62 0.00 0.00 57.03 56.00 2jg1 h ASP 270 Cb 1.29 0.08 -0.00 0.00 0.18 0.00 0.00 39.33 40.88 2jg1 h ASP 270 CO 0.55 0.11 -0.02 0.45 -3.12 0.00 0.00 179.24 177.21 2jg1 h HIS 271 N 0.45 0.21 -0.84 4.55 3.86 -1.99 -2.10 115.15 119.30 2jg1 h HIS 271 Ca 0.42 -0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.55 2jg1 h HIS 271 Cb 0.63 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 29.01 2jg1 h HIS 271 CO -0.16 0.49 0.39 -0.44 0.86 0.00 0.00 177.93 179.07 2jg1 h ASP 272 N -0.13 1.11 0.05 2.45 3.32 -1.82 -1.28 116.42 120.11 2jg1 h ASP 272 Ca 0.03 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 2jg1 h ASP 272 Cb 0.42 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2jg1 h ASP 272 CO 0.01 0.94 -0.02 0.25 -1.72 0.00 0.00 179.24 178.70 2jg1 h LEU 273 N 1.20 -0.05 -0.97 1.55 6.46 -1.07 -0.20 115.31 122.22 2jg1 h LEU 273 Ca 0.29 -0.09 -0.05 0.00 -0.12 0.00 0.00 57.88 57.90 2jg1 h LEU 273 Cb 0.14 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.06 2jg1 h LEU 273 CO -0.03 0.06 0.15 -0.07 -0.62 0.00 0.00 178.44 177.92 2jg1 h LEU 274 N -0.16 0.84 -0.27 2.25 3.38 -1.26 -0.64 115.31 119.46 2jg1 h LEU 274 Ca -0.01 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 2jg1 h LEU 274 Cb 0.14 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2jg1 h LEU 274 CO 0.01 0.81 -0.29 0.11 0.09 0.00 0.00 178.44 179.17 2jg1 h LYS 275 N 0.87 0.67 -0.11 1.13 1.57 -1.12 -1.95 116.57 117.63 2jg1 h LYS 275 Ca 0.19 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 2jg1 h LYS 275 Cb 0.30 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 2jg1 h LYS 275 CO -0.00 0.97 0.04 -0.22 -0.57 0.00 0.00 179.45 179.67 2jg1 h LYS 276 N 0.40 0.17 -0.30 3.15 3.64 -0.88 -0.36 116.57 122.40 2jg1 h LYS 276 Ca 0.04 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 2jg1 h LYS 276 Cb 0.86 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.57 2jg1 h LYS 276 CO 0.07 0.29 -0.43 0.00 -2.27 0.00 0.00 179.45 177.11 2jg1 h ALA 277 N 0.86 -0.51 -0.50 5.00 0.00 -1.13 -2.01 119.26 120.97 2jg1 h ALA 277 Ca 0.04 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2jg1 h ALA 277 Cb 0.19 0.86 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2jg1 h ALA 277 CO -0.00 -0.90 -0.07 -0.91 0.00 0.00 0.00 179.25 177.37 2jg1 h ASN 278 N -0.39 0.89 -0.43 0.00 2.35 -1.29 -2.59 115.58 114.11 2jg1 h ASN 278 Ca 0.11 -0.27 0.04 0.00 -0.55 0.00 0.00 56.30 55.64 2jg1 h ASN 278 Cb 0.60 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.69 2jg1 h ASN 278 CO -0.50 0.99 0.19 0.74 -1.65 0.00 0.00 177.43 177.20 2jg1 h THR 279 N 0.82 0.93 -0.40 2.81 2.02 -0.83 -2.71 112.91 115.55 2jg1 h THR 279 Ca 0.14 -0.13 -0.10 0.00 0.77 0.00 0.00 66.41 67.09 2jg1 h THR 279 Cb 0.59 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 2jg1 h THR 279 CO 0.04 0.07 -0.15 -0.07 0.37 0.00 0.00 175.52 175.78 2jg1 h LEU 280 N 0.39 0.72 -0.90 2.58 3.38 -1.27 0.72 115.31 120.93 2jg1 h LEU 280 Ca 0.19 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2jg1 h LEU 280 Cb 0.13 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2jg1 h LEU 280 CO -0.16 0.88 0.00 0.61 0.09 0.00 0.00 178.44 179.87 2jg1 n GLY 281 N -0.41 0.11 1.27 0.83 0.00 -0.99 -1.99 105.19 104.02 2jg1 n GLY 281 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2jg1 n GLY 281 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jg1 n LEU 283 N 0.36 0.00 -0.17 0.99 4.77 0.24 -2.22 117.00 120.97 2jg1 n LEU 283 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 2jg1 n LEU 283 Cb 0.02 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.18 2jg1 n LEU 283 CO 0.00 0.00 0.82 -1.13 -1.33 0.00 0.00 177.39 175.75 2jg1 h ASN 284 N 0.00 0.96 0.66 -1.43 -1.24 -1.53 -3.19 115.58 109.80 2jg1 h ASN 284 Ca 0.00 -0.27 0.00 0.00 0.71 0.00 0.00 56.30 56.74 2jg1 h ASN 284 Cb 0.00 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 38.79 2jg1 h ASN 284 CO 0.00 1.03 0.00 0.00 -1.29 0.00 0.00 177.43 177.17 2jg1 h ALA 285 N 1.07 1.00 -0.46 1.57 0.00 -1.59 -2.33 119.26 118.51 2jg1 h ALA 285 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2jg1 h ALA 285 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2jg1 h ALA 285 CO 0.03 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.28 2jg1 n GLN 286 N -2.64 3.12 -0.00 0.00 10.64 -1.21 -0.39 117.38 126.91 2jg1 n GLN 286 Ca 0.01 -2.52 0.00 0.00 -1.83 0.00 0.00 57.00 52.65 2jg1 n GLN 286 Cb 0.21 -1.60 0.00 0.00 -0.86 0.00 0.00 30.24 28.00 2jg1 n GLN 286 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 2jg1 n GLU 287 N 0.62 -0.61 0.00 2.61 4.07 -0.88 -4.69 120.64 121.75 2jg1 n GLU 287 Ca 0.19 -0.61 0.00 0.00 -0.06 0.00 0.00 57.16 56.68 2jg1 n GLU 287 Cb 0.68 -1.01 0.00 0.00 -0.06 0.00 0.00 31.44 31.04 2jg1 n GLU 287 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2jg1 n ALA 288 N -0.00 0.00 -1.69 4.31 0.00 -1.06 -4.86 120.51 117.21 2jg1 n ALA 288 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.11 2jg1 n ALA 288 Cb 0.03 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.49 2jg1 n ALA 288 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2jg1 s GLN 289 N 0.00 3.27 -0.15 0.00 -0.21 -1.26 -4.85 119.66 116.46 2jg1 s GLN 289 Ca 0.00 1.43 -0.23 0.00 0.02 0.00 0.00 55.36 56.59 2jg1 s GLN 289 Cb 0.00 -2.01 -0.03 0.00 1.00 0.00 0.00 33.01 31.97 2jg1 s GLN 289 CO 0.00 -0.88 0.69 0.99 -2.12 0.00 0.00 175.29 173.97 2jg1 s THR 290 N -2.09 5.00 -0.36 -0.19 2.01 -1.26 -4.18 115.64 114.58 2jg1 s THR 290 Ca 0.69 1.36 -0.02 0.00 0.31 0.00 0.00 61.69 64.03 2jg1 s THR 290 Cb -0.20 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.30 2jg1 s THR 290 CO 0.32 0.14 0.31 0.61 -0.69 0.00 0.00 174.62 175.31 2jg1 n GLY 291 N 3.48 0.46 2.93 4.40 0.00 -1.26 -4.99 105.19 110.21 2jg1 n GLY 291 Ca -0.00 -0.40 -0.15 0.00 0.00 0.00 0.00 46.02 45.47 2jg1 n GLY 291 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jg1 s TYR 292 N -3.09 0.38 0.08 1.61 5.04 -1.26 -4.42 117.35 115.69 2jg1 s TYR 292 Ca 0.12 -0.07 0.05 0.00 -2.44 0.00 0.00 57.07 54.74 2jg1 s TYR 292 Cb -0.05 -0.27 -0.03 0.00 0.35 0.00 0.00 41.96 41.95 2jg1 s TYR 292 CO 0.20 -0.03 -0.15 0.14 -1.34 0.00 0.00 175.55 174.38 2jg1 s VAL 293 N 0.06 1.17 -0.42 3.14 -7.23 -1.26 -3.99 120.40 111.86 2jg1 s VAL 293 Ca -0.00 -1.35 -0.09 0.00 -1.81 0.00 0.00 61.98 58.73 2jg1 s VAL 293 Cb -0.03 -1.14 0.08 0.00 0.56 0.00 0.00 36.38 35.85 2jg1 s VAL 293 CO -0.00 -0.23 0.27 0.21 -0.31 0.00 0.00 175.10 175.04 2jg1 s ASN 294 N -1.80 5.63 0.00 4.85 3.84 -1.26 -4.96 114.94 121.24 2jg1 s ASN 294 Ca -0.01 -1.57 0.24 0.00 0.21 0.00 0.00 52.86 51.73 2jg1 s ASN 294 Cb -0.10 -1.99 1.05 0.00 -0.55 0.00 0.00 41.25 39.67 2jg1 s ASN 294 CO 0.02 -0.56 1.78 0.18 -2.79 0.00 0.00 177.10 175.73 2jg1 n LEU 295 N 4.91 0.00 -0.25 3.21 4.77 -1.26 -2.41 117.00 125.96 2jg1 n LEU 295 Ca -0.10 0.48 -0.07 0.00 -0.03 0.00 0.00 56.01 56.29 2jg1 n LEU 295 Cb 0.43 -0.48 0.05 0.00 -2.33 0.00 0.00 43.42 41.08 2jg1 n LEU 295 CO 0.39 -0.08 0.96 0.78 -1.33 0.00 0.00 177.39 178.11 2jg1 h ASN 296 N 0.00 1.05 -0.28 -1.43 -0.26 -2.04 -2.91 115.58 109.72 2jg1 h ASN 296 Ca 0.00 -0.22 0.00 0.00 -0.56 0.00 0.00 56.30 55.52 2jg1 h ASN 296 Cb 0.39 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 37.38 2jg1 h ASN 296 CO 0.00 1.00 0.00 0.59 -1.06 0.00 0.00 177.43 177.96 2jg1 n ASN 297 N -4.26 1.49 0.10 5.81 3.02 -1.01 -4.43 115.26 115.97 2jg1 n ASN 297 Ca 0.05 -2.00 -0.13 0.00 -0.03 0.00 0.00 54.58 52.47 2jg1 n ASN 297 Cb 0.25 -0.19 -0.08 0.00 -0.61 0.00 0.00 39.78 39.15 2jg1 n ASN 297 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2jg1 h TYR 298 N 1.63 -0.23 -0.86 3.10 3.20 -1.58 -3.01 116.97 119.22 2jg1 h TYR 298 Ca 0.00 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 2jg1 h TYR 298 Cb 0.37 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 2jg1 h TYR 298 CO 0.19 0.06 0.45 -0.44 -1.64 0.00 0.00 178.16 176.78 2jg1 h ASP 299 N -0.51 1.09 -0.13 -2.11 3.32 -1.80 -0.43 116.42 115.85 2jg1 h ASP 299 Ca -0.03 -0.11 0.05 0.00 0.02 0.00 0.00 57.03 56.96 2jg1 h ASP 299 Cb 0.39 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.60 2jg1 h ASP 299 CO 0.04 0.89 -0.31 0.44 -1.72 0.00 0.00 179.24 178.58 2jg1 h ASP 300 N 1.21 -0.97 -0.15 6.45 3.32 -1.83 -2.12 116.42 122.33 2jg1 h ASP 300 Ca 0.30 0.14 -0.22 0.00 0.02 0.00 0.00 57.03 57.27 2jg1 h ASP 300 Cb 0.06 0.41 0.01 0.00 0.22 0.00 0.00 39.33 40.03 2jg1 h ASP 300 CO -0.04 -0.35 -0.76 -0.07 -1.72 0.00 0.00 179.24 176.29 2jg1 h LEU 301 N -0.39 0.94 -0.19 1.55 3.38 -1.40 -3.32 115.31 115.88 2jg1 h LEU 301 Ca 0.09 -0.61 0.04 0.00 0.09 0.00 0.00 57.88 57.50 2jg1 h LEU 301 Cb 0.54 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 2jg1 h LEU 301 CO -0.34 1.41 -0.05 0.15 0.09 0.00 0.00 178.44 179.69 2jg1 h PHE 302 N 0.55 -0.10 0.00 1.13 3.57 -0.95 -2.21 116.94 118.93 2jg1 h PHE 302 Ca -0.05 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2jg1 h PHE 302 Cb 1.39 0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.20 2jg1 h PHE 302 CO 0.08 -0.08 0.00 -0.91 -2.23 0.00 0.00 178.31 175.17 2jg1 h ASN 303 N -0.00 0.00 0.50 0.41 2.35 -1.48 -2.38 115.58 114.98 2jg1 h ASN 303 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 2jg1 h ASN 303 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 2jg1 h ASN 303 CO -0.20 0.00 -0.90 0.00 -1.65 0.00 0.00 177.43 174.68 2jg1 n GLN 304 N -2.33 0.25 -2.49 0.81 6.02 -0.83 -4.95 117.38 113.85 2jg1 n GLN 304 Ca -0.00 0.01 -0.41 0.00 -0.01 0.00 0.00 57.00 56.59 2jg1 n GLN 304 Cb 0.10 -1.60 -0.04 0.00 1.02 0.00 0.00 30.24 29.72 2jg1 n GLN 304 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2jg1 s ILE 305 N -3.17 3.61 -0.18 5.09 1.01 -0.90 -4.63 121.20 122.05 2jg1 s ILE 305 Ca 0.05 1.54 -0.01 0.00 0.00 0.00 0.00 60.65 62.23 2jg1 s ILE 305 Cb 0.15 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.64 2jg1 s ILE 305 CO 0.78 0.33 -0.14 -0.70 0.00 0.00 0.00 174.94 175.21 2jg1 s GLU 306 N -1.06 3.20 -0.18 2.79 2.12 -0.08 -5.00 118.70 120.50 2jg1 s GLU 306 Ca 0.46 -0.74 -0.01 0.00 0.36 0.00 0.00 54.97 55.04 2jg1 s GLU 306 Cb -0.31 -2.71 -0.00 0.00 0.26 0.00 0.00 34.13 31.37 2jg1 s GLU 306 CO 0.39 -0.09 -0.11 0.08 -0.54 0.00 0.00 175.26 174.99 2jg1 s VAL 307 N 1.09 2.98 -0.01 3.70 1.01 -1.26 -0.09 120.40 127.82 2jg1 s VAL 307 Ca 0.00 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.37 2jg1 s VAL 307 Cb -0.14 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 2jg1 s VAL 307 CO -0.04 0.48 -0.14 -0.76 0.00 0.00 0.00 175.10 174.65 2jg1 s LEU 308 N 1.02 2.03 0.05 3.92 1.43 -0.34 -4.98 118.68 121.82 2jg1 s LEU 308 Ca -0.01 -0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 52.54 2jg1 s LEU 308 Cb -0.15 -0.70 -0.05 0.00 0.03 0.00 0.00 46.19 45.33 2jg1 s LEU 308 CO -0.02 0.16 1.09 -0.70 0.23 0.00 0.00 176.35 177.12 2jg1 s GLU 309 N -0.35 4.51 0.00 1.70 2.12 -1.26 -0.47 118.70 124.95 2jg1 s GLU 309 Ca 0.05 1.62 0.00 0.00 0.36 0.00 0.00 54.97 57.00 2jg1 s GLU 309 Cb -0.05 -3.38 0.00 0.00 0.26 0.00 0.00 34.13 30.95 2jg1 s GLU 309 CO -0.00 -0.12 0.46 1.33 -0.54 0.00 0.00 175.26 176.38